#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iaq n ARG 14 N 0.00 1.73 0.25 5.56 1.74 -1.26 -4.96 116.66 119.72 3iaq n ARG 14 Ca 0.00 -4.36 0.11 0.00 -0.77 0.00 0.00 57.85 52.83 3iaq n ARG 14 Cb 0.00 -2.20 0.66 0.00 -1.02 0.00 0.00 32.46 29.89 3iaq n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3iaq h ASP 15 N 5.25 0.00 0.00 0.55 3.32 -1.95 -1.60 116.42 121.99 3iaq h ASP 15 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3iaq h ASP 15 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3iaq h ASP 15 CO 0.69 0.15 0.00 -2.67 -1.72 0.00 0.00 179.24 175.69 3iaq n TRP 16 N -3.75 0.00 -2.09 4.55 2.14 -1.26 -2.80 117.44 114.22 3iaq n TRP 16 Ca -0.02 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.51 3iaq n TRP 16 Cb 0.26 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 30.85 3iaq n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3iaq n GLU 17 N -0.86 1.92 -3.57 -2.67 1.02 -0.60 -1.02 120.64 114.86 3iaq n GLU 17 Ca 0.16 -3.35 -0.22 0.00 -0.02 0.00 0.00 57.16 53.72 3iaq n GLU 17 Cb 0.07 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 3iaq n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3iaq s ASN 18 N -3.20 1.82 0.00 1.62 2.47 -1.12 -4.74 114.94 111.78 3iaq s ASN 18 Ca 0.39 -0.37 0.24 0.00 0.42 0.00 0.00 52.86 53.54 3iaq s ASN 18 Cb 0.38 0.03 1.42 0.00 -1.45 0.00 0.00 41.25 41.63 3iaq s ASN 18 CO -0.05 -0.33 1.85 -0.81 -3.72 0.00 0.00 177.10 174.04 3iaq n PRO 19 N 5.30 0.89 0.11 0.43 -0.04 -1.26 -2.31 135.00 138.12 3iaq n PRO 19 Ca -0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 3iaq n PRO 19 Cb 0.49 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 3iaq n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3iaq h GLY 20 N 4.60 0.00 -7.45 0.55 0.00 -1.93 -3.39 103.07 95.46 3iaq h GLY 20 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 3iaq h GLY 20 CO 0.00 0.00 -0.50 0.14 0.00 0.00 0.00 176.54 176.18 3iaq s VAL 21 N -3.26 3.69 -0.36 4.60 1.01 -0.98 -4.90 120.40 120.20 3iaq s VAL 21 Ca 0.00 -1.81 0.18 0.00 0.00 0.00 0.00 61.98 60.35 3iaq s VAL 21 Cb 0.09 -3.41 -0.24 0.00 0.00 0.00 0.00 36.38 32.81 3iaq s VAL 21 CO 0.78 -0.63 0.54 0.35 0.00 0.00 0.00 175.10 176.13 3iaq n THR 22 N 4.74 0.00 -3.59 3.92 -2.24 -1.26 -4.81 114.28 111.04 3iaq n THR 22 Ca -0.06 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 3iaq n THR 22 Cb 0.42 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 3iaq n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaq s GLN 23 N -2.97 1.25 -0.04 -0.78 1.03 -1.26 -0.63 119.66 116.26 3iaq s GLN 23 Ca -0.01 -0.56 -0.01 0.00 0.04 0.00 0.00 55.36 54.82 3iaq s GLN 23 Cb 0.12 0.51 0.03 0.00 0.03 0.00 0.00 33.01 33.70 3iaq s GLN 23 CO 0.73 -0.56 0.03 -0.51 -2.54 0.00 0.00 175.29 172.44 3iaq s LEU 24 N -2.75 0.65 -1.87 2.60 1.43 0.72 -4.86 118.68 114.60 3iaq s LEU 24 Ca 0.06 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3iaq s LEU 24 Cb -0.02 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.02 3iaq s LEU 24 CO -0.05 -0.18 0.00 0.59 0.23 0.00 0.00 176.35 176.94 3iaq n ASN 25 N 4.75 -5.14 -4.76 2.29 3.02 -1.26 -1.94 115.26 112.22 3iaq n ASN 25 Ca -0.15 0.43 -0.39 0.00 -0.03 0.00 0.00 54.58 54.43 3iaq n ASN 25 Cb 0.50 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.42 3iaq n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3iaq s ARG 26 N -3.54 4.70 0.69 3.52 3.52 -1.26 -4.63 118.95 121.95 3iaq s ARG 26 Ca 0.00 1.55 -0.11 0.00 -0.13 0.00 0.00 55.73 57.03 3iaq s ARG 26 Cb 0.00 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3iaq s ARG 26 CO 0.00 0.35 1.08 -0.51 -0.81 0.00 0.00 175.30 175.40 3iaq s LEU 27 N -1.51 2.97 0.60 -0.88 1.43 0.15 -5.01 118.68 116.44 3iaq s LEU 27 Ca 0.45 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.64 3iaq s LEU 27 Cb -0.26 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 3iaq s LEU 27 CO 0.33 -1.30 1.12 0.00 0.23 0.00 0.00 176.35 176.72 3iaq s ALA 28 N -3.26 2.58 0.76 4.21 0.00 -1.26 -4.66 121.76 120.13 3iaq s ALA 28 Ca 0.58 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 3iaq s ALA 28 Cb -0.12 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.71 3iaq s ALA 28 CO 0.53 -1.03 1.08 0.00 0.00 0.00 0.00 175.76 176.34 3iaq s ALA 29 N -2.06 2.37 -0.06 0.00 0.00 -1.26 -4.99 121.76 115.75 3iaq s ALA 29 Ca 0.70 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.31 3iaq s ALA 29 Cb -0.22 -3.16 0.12 0.00 0.00 0.00 0.00 23.12 19.86 3iaq s ALA 29 CO 0.34 -1.58 1.19 -3.38 0.00 0.00 0.00 175.76 172.34 3iaq s HIS 30 N -3.07 -0.11 0.94 0.00 -3.43 -1.26 -4.93 115.29 103.43 3iaq s HIS 30 Ca 0.60 0.00 -0.12 0.00 -0.80 0.00 0.00 55.06 54.74 3iaq s HIS 30 Cb -0.15 0.54 0.15 0.00 -1.43 0.00 0.00 32.58 31.70 3iaq s HIS 30 CO 0.55 -0.33 1.09 -2.14 -2.00 0.00 0.00 174.74 171.91 3iaq s PRO 31 N -2.57 0.94 -0.01 -0.38 0.02 -1.10 -4.13 135.00 127.76 3iaq s PRO 31 Ca 0.11 0.68 -0.36 0.00 0.02 0.00 0.00 61.00 61.45 3iaq s PRO 31 Cb 0.01 -1.78 -0.14 0.00 0.02 0.00 0.00 34.50 32.61 3iaq s PRO 31 CO -0.04 -2.42 1.64 -2.30 -0.33 0.00 0.00 177.00 173.55 3iaq n PRO 32 N -3.99 1.74 -4.23 5.54 -0.02 -1.26 -4.99 135.00 127.80 3iaq n PRO 32 Ca 0.06 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 3iaq n PRO 32 Cb 0.56 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 3iaq n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3iaq s PHE 33 N 2.23 2.81 0.00 6.00 0.08 -1.26 -4.79 117.98 123.05 3iaq s PHE 33 Ca 0.88 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.81 3iaq s PHE 33 Cb -0.82 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 3iaq s PHE 33 CO 0.49 0.43 0.00 0.00 -0.10 0.00 0.00 175.22 176.05 3iaq n ALA 34 N 0.74 0.60 -3.71 5.36 0.00 -1.26 -5.01 120.51 117.22 3iaq n ALA 34 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 3iaq n ALA 34 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 3iaq n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iaq n SER 35 N -0.38 -5.25 -4.77 0.00 2.88 -1.26 -3.89 113.62 100.94 3iaq n SER 35 Ca 0.00 -1.04 -0.35 0.00 -1.33 0.00 0.00 58.87 56.15 3iaq n SER 35 Cb 0.00 -3.25 0.01 0.00 -0.75 0.00 0.00 64.21 60.22 3iaq n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3iaq s TRP 36 N -3.47 2.66 -0.21 0.66 0.51 -0.81 -4.53 118.94 113.76 3iaq s TRP 36 Ca 0.48 1.55 0.02 0.00 -2.12 0.00 0.00 56.10 56.02 3iaq s TRP 36 Cb -0.18 -3.26 0.01 0.00 -0.81 0.00 0.00 33.47 29.24 3iaq s TRP 36 CO 0.87 -1.59 0.53 0.54 -0.51 0.00 0.00 176.95 176.79 3iaq n ARG 37 N -1.57 -0.38 -4.73 4.98 5.12 -1.26 -0.69 116.66 118.13 3iaq n ARG 37 Ca 0.11 -0.57 -0.28 0.00 -1.93 0.00 0.00 57.85 55.18 3iaq n ARG 37 Cb 0.51 -1.01 -0.17 0.00 -1.16 0.00 0.00 32.46 30.63 3iaq n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3iaq s ASN 38 N -0.20 2.43 0.31 0.55 3.84 -1.26 -4.96 114.94 115.65 3iaq s ASN 38 Ca 0.02 -0.43 0.11 0.00 0.21 0.00 0.00 52.86 52.77 3iaq s ASN 38 Cb 0.01 -1.11 0.48 0.00 -0.55 0.00 0.00 41.25 40.09 3iaq s ASN 38 CO 0.02 0.07 1.69 0.28 -2.79 0.00 0.00 177.10 176.37 3iaq h SER 39 N 7.05 0.00 0.03 -4.21 0.02 -1.97 -2.83 113.55 111.64 3iaq h SER 39 Ca -0.27 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.55 3iaq h SER 39 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3iaq h SER 39 CO 0.48 0.53 -0.41 -0.08 -1.14 0.00 0.00 176.83 176.21 3iaq h GLU 40 N 0.00 0.48 -0.35 3.45 4.57 -1.99 -0.62 114.58 120.13 3iaq h GLU 40 Ca -0.01 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 57.82 3iaq h GLU 40 Cb 0.94 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3iaq h GLU 40 CO 0.07 0.81 -0.26 0.93 -1.18 0.00 0.00 179.01 179.38 3iaq h GLU 41 N 0.40 0.70 0.10 1.92 4.39 -1.91 -1.01 114.58 119.18 3iaq h GLU 41 Ca 0.03 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 3iaq h GLU 41 Cb 0.89 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3iaq h GLU 41 CO 0.08 0.89 -0.05 0.00 -1.16 0.00 0.00 179.01 178.77 3iaq h ALA 42 N 1.10 -0.14 -0.37 3.43 0.00 -1.32 -1.49 119.26 120.47 3iaq h ALA 42 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3iaq h ALA 42 Cb 0.76 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3iaq h ALA 42 CO 0.06 -0.51 0.10 -0.09 0.00 0.00 0.00 179.25 178.81 3iaq h ARG 43 N -0.27 0.23 0.00 0.00 2.43 -1.00 -2.09 114.38 113.69 3iaq h ARG 43 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3iaq h ARG 43 Cb 0.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3iaq h ARG 43 CO 0.02 0.15 0.00 0.25 -1.51 0.00 0.00 179.97 178.89 3iaq n THR 44 N -5.06 0.37 -1.87 0.20 -2.24 -0.39 -4.90 114.28 100.39 3iaq n THR 44 Ca 0.02 0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 3iaq n THR 44 Cb 0.15 -0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 3iaq n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iaq n ASP 45 N -1.55 -4.88 -4.77 3.42 2.03 -0.65 -5.00 116.55 105.15 3iaq n ASP 45 Ca 0.06 0.20 -0.30 0.00 0.52 0.00 0.00 54.79 55.27 3iaq n ASP 45 Cb 0.29 -3.90 0.10 0.00 -0.72 0.00 0.00 41.12 36.89 3iaq n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3iaq s ARG 46 N -4.05 1.99 0.71 -0.67 0.52 -0.65 -4.97 118.95 111.82 3iaq s ARG 46 Ca 0.00 0.89 -0.16 0.00 -0.52 0.00 0.00 55.73 55.94 3iaq s ARG 46 Cb 0.00 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.61 3iaq s ARG 46 CO 0.00 -1.75 1.26 -2.14 0.02 0.00 0.00 175.30 172.68 3iaq s PRO 47 N -5.00 2.22 -0.12 3.54 0.02 -1.26 -4.79 135.00 129.60 3iaq s PRO 47 Ca 0.61 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 3iaq s PRO 47 Cb -0.16 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3iaq s PRO 47 CO 0.56 -1.82 -0.07 0.45 -0.33 0.00 0.00 177.00 175.79 3iaq s SER 48 N -1.71 4.56 0.47 2.53 0.15 -1.26 -4.99 113.70 113.45 3iaq s SER 48 Ca 0.79 -0.15 0.31 0.00 0.70 0.00 0.00 55.95 57.60 3iaq s SER 48 Cb -0.34 -1.57 1.33 0.00 -1.71 0.00 0.00 66.02 63.74 3iaq s SER 48 CO 0.44 0.22 1.93 1.56 1.20 0.00 0.00 173.24 178.59 3iaq h GLN 49 N 6.29 0.00 -0.01 5.44 1.08 -1.90 -2.55 115.11 123.46 3iaq h GLN 49 Ca -0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 3iaq h GLN 49 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3iaq h GLN 49 CO 0.58 0.00 -0.31 1.04 -0.95 0.00 0.00 178.83 179.20 3iaq n GLN 50 N -2.84 0.76 -3.99 1.46 3.00 -1.26 -4.67 117.38 109.84 3iaq n GLN 50 Ca 0.01 -0.47 -0.32 0.00 -0.01 0.00 0.00 57.00 56.21 3iaq n GLN 50 Cb 0.26 -1.49 -0.14 0.00 0.00 0.00 0.00 30.24 28.87 3iaq n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3iaq s LEU 51 N -2.56 4.39 -0.05 1.08 2.96 -0.96 -0.38 118.68 123.16 3iaq s LEU 51 Ca 0.22 -1.85 -0.02 0.00 -0.22 0.00 0.00 54.13 52.27 3iaq s LEU 51 Cb 0.19 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 3iaq s LEU 51 CO 0.55 -0.34 0.05 -0.13 -1.32 0.00 0.00 176.35 175.16 3iaq s ARG 52 N 1.02 3.05 -0.10 1.98 0.52 0.16 -4.68 118.95 120.90 3iaq s ARG 52 Ca 0.04 -0.42 -0.18 0.00 -0.52 0.00 0.00 55.73 54.64 3iaq s ARG 52 Cb -0.20 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3iaq s ARG 52 CO -0.06 0.68 0.47 0.45 0.02 0.00 0.00 175.30 176.87 3iaq s SER 53 N -1.29 6.71 -0.14 0.23 0.15 -1.26 -0.25 113.70 117.85 3iaq s SER 53 Ca 0.18 0.85 0.16 0.00 0.70 0.00 0.00 55.95 57.84 3iaq s SER 53 Cb -0.12 -2.28 0.69 0.00 -1.71 0.00 0.00 66.02 62.59 3iaq s SER 53 CO 0.08 0.05 1.60 0.18 1.20 0.00 0.00 173.24 176.34 3iaq n LEU 54 N 3.40 4.73 -4.77 3.45 4.77 0.09 -4.91 117.00 123.76 3iaq n LEU 54 Ca -0.08 -2.62 -0.39 0.00 -0.03 0.00 0.00 56.01 52.89 3iaq n LEU 54 Cb 0.52 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3iaq n LEU 54 CO 0.42 0.74 0.91 0.20 -1.33 0.00 0.00 177.39 178.34 3iaq s ASN 55 N -1.05 6.51 0.00 -1.43 0.01 -1.24 -4.86 114.94 112.88 3iaq s ASN 55 Ca 0.49 2.52 0.00 0.00 -0.71 0.00 0.00 52.86 55.16 3iaq s ASN 55 Cb 0.34 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3iaq s ASN 55 CO 0.19 -0.70 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 3iaq n GLY 56 N 0.71 0.20 3.67 0.66 0.00 -0.61 -5.02 105.19 104.80 3iaq n GLY 56 Ca 0.03 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 3iaq n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iaq s GLU 57 N -2.00 4.24 0.37 1.61 2.02 -1.26 -0.62 118.70 123.06 3iaq s GLU 57 Ca 0.00 0.64 0.08 0.00 0.02 0.00 0.00 54.97 55.71 3iaq s GLU 57 Cb 0.00 -3.56 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 3iaq s GLU 57 CO 0.00 -0.19 -0.05 -1.58 0.02 0.00 0.00 175.26 173.46 3iaq s TRP 58 N 1.74 2.42 -0.20 1.61 0.52 0.67 -4.93 118.94 120.77 3iaq s TRP 58 Ca 0.30 -0.58 -0.11 0.00 0.02 0.00 0.00 56.10 55.73 3iaq s TRP 58 Cb -0.16 -1.51 -0.05 0.00 -1.15 0.00 0.00 33.47 30.60 3iaq s TRP 58 CO 0.11 0.51 0.16 1.03 0.02 0.00 0.00 176.95 178.78 3iaq s ARG 59 N -3.66 4.18 0.04 4.98 1.81 -0.46 -0.11 118.95 125.74 3iaq s ARG 59 Ca 0.33 -0.18 0.08 0.00 -1.72 0.00 0.00 55.73 54.24 3iaq s ARG 59 Cb 0.05 -3.44 -0.03 0.00 -0.45 0.00 0.00 34.95 31.09 3iaq s ARG 59 CO 0.17 0.25 -0.22 0.12 -0.68 0.00 0.00 175.30 174.94 3iaq s PHE 60 N 0.50 1.89 -0.04 -0.53 5.36 0.75 -0.41 117.98 125.51 3iaq s PHE 60 Ca 0.09 -0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 55.66 3iaq s PHE 60 Cb -0.12 -1.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.46 3iaq s PHE 60 CO -0.00 0.10 0.10 0.00 -1.46 0.00 0.00 175.22 173.95 3iaq s ALA 61 N -0.80 -0.18 -0.09 11.12 0.00 0.28 -1.06 121.76 131.04 3iaq s ALA 61 Ca 0.08 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 3iaq s ALA 61 Cb -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3iaq s ALA 61 CO 0.02 -0.09 0.18 -0.46 0.00 0.00 0.00 175.76 175.41 3iaq s TRP 62 N 0.61 3.61 0.03 0.00 -0.00 -1.26 -0.07 118.94 121.85 3iaq s TRP 62 Ca -0.05 0.58 0.01 0.00 -0.00 0.00 0.00 56.10 56.64 3iaq s TRP 62 Cb -0.06 -1.98 -0.02 0.00 -0.00 0.00 0.00 33.47 31.41 3iaq s TRP 62 CO -0.02 0.71 -0.05 -0.06 -0.00 0.00 0.00 176.95 177.53 3iaq s PHE 63 N -1.08 0.44 0.02 5.86 0.08 0.31 -4.99 117.98 118.62 3iaq s PHE 63 Ca 0.18 -0.48 0.31 0.00 0.12 0.00 0.00 56.93 57.06 3iaq s PHE 63 Cb -0.13 -0.28 1.14 0.00 -0.57 0.00 0.00 43.02 43.18 3iaq s PHE 63 CO 0.07 -0.13 1.90 -1.00 -0.10 0.00 0.00 175.22 175.96 3iaq h PRO 64 N 4.70 0.00 -2.54 0.24 0.13 -1.86 0.25 132.00 132.92 3iaq h PRO 64 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 3iaq h PRO 64 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3iaq h PRO 64 CO 0.42 0.04 0.20 0.00 -0.23 0.00 0.00 178.00 178.42 3iaq s ALA 65 N -3.59 -1.67 0.46 -0.56 0.00 -1.21 -1.45 121.76 113.74 3iaq s ALA 65 Ca 0.02 0.87 0.12 0.00 0.00 0.00 0.00 51.96 52.97 3iaq s ALA 65 Cb 0.08 0.47 1.06 0.00 0.00 0.00 0.00 23.12 24.74 3iaq s ALA 65 CO 0.58 -0.58 2.09 -1.00 0.00 0.00 0.00 175.76 176.85 3iaq h PRO 66 N 2.47 0.29 0.00 0.00 0.13 -1.86 -1.94 132.00 131.08 3iaq h PRO 66 Ca -0.31 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3iaq h PRO 66 Cb 1.23 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3iaq h PRO 66 CO 0.39 0.19 -0.05 0.93 -0.23 0.00 0.00 178.00 179.23 3iaq h GLU 67 N 0.30 0.00 0.00 0.86 3.07 -1.95 -2.80 114.58 114.05 3iaq h GLU 67 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3iaq h GLU 67 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3iaq h GLU 67 CO -0.02 0.05 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 3iaq h ALA 68 N 1.95 1.00 -2.33 3.43 0.00 -1.76 -3.45 119.26 118.11 3iaq h ALA 68 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3iaq h ALA 68 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iaq h ALA 68 CO 0.01 0.00 1.04 0.08 0.00 0.00 0.00 179.25 180.38 3iaq s VAL 69 N -3.21 3.43 0.15 0.00 1.01 -1.06 -4.96 120.40 115.77 3iaq s VAL 69 Ca 0.08 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 3iaq s VAL 69 Cb 0.09 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 3iaq s VAL 69 CO 0.60 -0.04 1.20 -2.16 0.00 0.00 0.00 175.10 174.71 3iaq s PRO 70 N 3.53 4.47 0.59 2.72 0.04 -1.26 -4.91 135.00 140.17 3iaq s PRO 70 Ca 0.73 1.85 0.29 0.00 0.04 0.00 0.00 61.00 63.91 3iaq s PRO 70 Cb -0.35 -3.27 1.46 0.00 0.04 0.00 0.00 34.50 32.38 3iaq s PRO 70 CO 0.30 -0.14 1.88 0.93 0.04 0.00 0.00 177.00 180.02 3iaq h GLU 71 N 5.70 0.00 0.00 4.56 3.07 -1.96 -1.38 114.58 124.56 3iaq h GLU 71 Ca -0.44 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.38 3iaq h GLU 71 Cb 1.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 3iaq h GLU 71 CO 0.77 0.00 -0.21 0.66 -1.40 0.00 0.00 179.01 178.83 3iaq h SER 72 N 0.00 0.00 0.15 1.42 4.64 -1.92 -3.19 113.55 114.65 3iaq h SER 72 Ca 0.23 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3iaq h SER 72 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3iaq h SER 72 CO -0.00 0.21 -0.02 -0.25 -0.87 0.00 0.00 176.83 175.90 3iaq h TRP 73 N 0.00 0.00 -0.16 4.77 7.01 -1.37 0.22 115.95 126.42 3iaq h TRP 73 Ca -0.00 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.85 3iaq h TRP 73 Cb 0.69 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 3iaq h TRP 73 CO 0.00 0.02 -0.51 -0.07 -2.79 0.00 0.00 178.44 175.09 3iaq h LEU 74 N 0.00 0.49 0.00 0.65 3.38 -1.77 -3.33 115.31 114.73 3iaq h LEU 74 Ca -0.00 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 3iaq h LEU 74 Cb 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3iaq h LEU 74 CO 0.00 0.91 -2.13 -0.62 0.09 0.00 0.00 178.44 176.70 3iaq n GLU 75 N -3.96 0.67 -3.78 1.13 -0.58 -0.67 -3.45 120.64 110.00 3iaq n GLU 75 Ca -0.02 -0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 3iaq n GLU 75 Cb 0.57 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.78 3iaq n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iaq s ASP 77 N -0.22 6.56 0.17 0.00 2.15 -1.26 -3.95 116.67 120.12 3iaq s ASP 77 Ca -0.03 2.78 -0.26 0.00 0.43 0.00 0.00 52.55 55.47 3iaq s ASP 77 Cb -0.03 -2.65 -0.08 0.00 -0.30 0.00 0.00 42.92 39.86 3iaq s ASP 77 CO 0.01 -0.69 0.80 -0.76 -0.17 0.00 0.00 175.17 174.36 3iaq s LEU 78 N -2.01 4.60 0.26 -1.34 1.43 -1.26 -4.99 118.68 115.37 3iaq s LEU 78 Ca 0.52 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.35 3iaq s LEU 78 Cb -0.41 -3.34 0.33 0.00 0.03 0.00 0.00 46.19 42.79 3iaq s LEU 78 CO 0.55 0.20 1.62 -0.65 0.23 0.00 0.00 176.35 178.30 3iaq h PRO 79 N 4.33 0.27 0.00 1.29 0.11 -2.02 -3.09 132.00 132.88 3iaq h PRO 79 Ca -0.47 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 65.45 3iaq h PRO 79 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3iaq h PRO 79 CO 0.66 0.72 -0.19 0.93 -0.21 0.00 0.00 178.00 179.91 3iaq h GLU 80 N 0.21 0.00 -6.85 1.05 3.07 -1.97 -3.46 114.58 106.63 3iaq h GLU 80 Ca 0.01 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 3iaq h GLU 80 Cb 0.98 0.00 0.18 0.00 -0.84 0.00 0.00 28.75 29.07 3iaq h GLU 80 CO 0.08 0.19 -0.10 0.00 -1.40 0.00 0.00 179.01 177.78 3iaq n ALA 81 N -2.29 -0.84 -2.44 3.43 0.00 -1.17 -5.02 120.51 112.18 3iaq n ALA 81 Ca -0.01 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 3iaq n ALA 81 Cb 0.33 -2.01 -0.11 0.00 0.00 0.00 0.00 19.45 17.65 3iaq n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iaq s ASP 82 N -1.64 3.55 -0.35 0.00 1.01 -0.22 -4.89 116.67 114.12 3iaq s ASP 82 Ca 0.69 -0.82 -0.21 0.00 0.71 0.00 0.00 52.55 52.92 3iaq s ASP 82 Cb -0.33 -0.32 0.00 0.00 1.01 0.00 0.00 42.92 43.28 3iaq s ASP 82 CO 0.54 0.12 0.69 -0.89 0.21 0.00 0.00 175.17 175.84 3iaq s THR 83 N -1.65 4.84 0.18 -1.27 2.01 -1.26 -0.17 115.64 118.32 3iaq s THR 83 Ca 0.21 0.73 0.10 0.00 0.31 0.00 0.00 61.69 63.04 3iaq s THR 83 Cb -0.08 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3iaq s THR 83 CO 0.10 -0.33 -0.22 0.68 -0.69 0.00 0.00 174.62 174.16 3iaq s VAL 84 N 2.83 2.18 0.20 3.82 -7.23 0.84 -4.92 120.40 118.13 3iaq s VAL 84 Ca 0.27 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 3iaq s VAL 84 Cb -0.14 -2.03 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 3iaq s VAL 84 CO 0.15 -0.18 1.03 -0.69 -0.31 0.00 0.00 175.10 175.10 3iaq s VAL 85 N -1.79 3.99 -0.04 1.32 1.01 -1.26 -0.24 120.40 123.40 3iaq s VAL 85 Ca 0.19 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.00 3iaq s VAL 85 Cb -0.07 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.16 3iaq s VAL 85 CO 0.09 0.36 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 3iaq s VAL 86 N -0.57 0.78 0.67 2.92 1.01 0.21 -4.13 120.40 121.29 3iaq s VAL 86 Ca 0.46 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 3iaq s VAL 86 Cb -0.28 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3iaq s VAL 86 CO 0.34 0.26 1.11 -2.16 0.00 0.00 0.00 175.10 174.65 3iaq s PRO 87 N 0.49 2.73 -0.04 2.72 0.04 -1.26 -1.57 135.00 138.11 3iaq s PRO 87 Ca -0.08 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 3iaq s PRO 87 Cb -0.12 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.59 3iaq s PRO 87 CO 0.01 -1.30 1.08 -1.54 0.04 0.00 0.00 177.00 175.29 3iaq s SER 88 N -2.67 -0.20 -0.20 6.66 1.04 0.33 -4.94 113.70 113.72 3iaq s SER 88 Ca 0.66 -0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 3iaq s SER 88 Cb -0.20 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 3iaq s SER 88 CO 0.43 -0.48 0.03 0.20 0.98 0.00 0.00 173.24 174.40 3iaq s ASN 89 N -2.55 5.12 0.24 7.02 -0.87 -1.26 -3.17 114.94 119.47 3iaq s ASN 89 Ca 0.09 -0.11 0.21 0.00 -1.57 0.00 0.00 52.86 51.48 3iaq s ASN 89 Cb 0.00 -1.88 0.95 0.00 -0.02 0.00 0.00 41.25 40.30 3iaq s ASN 89 CO -0.05 0.09 1.64 -2.67 -2.57 0.00 0.00 177.10 173.54 3iaq n TRP 90 N 4.11 0.67 0.00 2.20 2.14 -0.95 -0.48 117.44 125.15 3iaq n TRP 90 Ca -0.17 0.29 -0.02 0.00 2.07 0.00 0.00 57.50 59.67 3iaq n TRP 90 Cb 0.52 -0.97 0.23 0.00 -0.81 0.00 0.00 31.31 30.28 3iaq n TRP 90 CO 0.00 0.00 0.00 1.96 2.07 0.00 0.00 177.69 181.72 3iaq h GLN 91 N 0.00 0.51 0.00 -2.67 7.50 -1.79 -2.50 115.11 116.16 3iaq h GLN 91 Ca 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 58.99 3iaq h GLN 91 Cb 0.23 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.72 3iaq h GLN 91 CO 0.00 0.65 0.00 0.52 -1.50 0.00 0.00 178.83 178.50 3iaq h MET 92 N 0.46 0.00 -0.01 1.46 2.86 -1.10 -1.70 114.93 116.90 3iaq h MET 92 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3iaq h MET 92 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3iaq h MET 92 CO 0.03 0.00 -0.41 0.72 1.06 0.00 0.00 176.91 178.32 3iaq n HIS 93 N -2.78 0.00 -1.00 -0.22 8.25 -1.16 -4.97 115.22 113.34 3iaq n HIS 93 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3iaq n HIS 93 Cb 0.30 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3iaq n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iaq n GLY 94 N 1.39 0.94 0.15 -1.41 0.00 -0.64 -5.00 105.19 100.62 3iaq n GLY 94 Ca 0.10 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 3iaq n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaq h TYR 95 N 0.00 0.97 -4.01 1.61 0.05 -1.64 -3.48 116.97 110.48 3iaq h TYR 95 Ca 0.00 -0.68 -0.30 0.00 0.05 0.00 0.00 58.73 57.79 3iaq h TYR 95 Cb 0.42 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.04 3iaq h TYR 95 CO 0.00 1.53 -0.23 -0.40 -1.05 0.00 0.00 178.16 178.01 3iaq n ASP 96 N -3.77 -0.97 -4.70 3.88 5.68 -1.26 -5.05 116.55 110.35 3iaq n ASP 96 Ca -0.16 -2.73 -0.39 0.00 -0.50 0.00 0.00 54.79 51.00 3iaq n ASP 96 Cb 1.06 1.93 -0.05 0.00 -1.14 0.00 0.00 41.12 42.91 3iaq n ASP 96 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iaq s ALA 97 N -2.82 3.42 0.20 2.12 0.00 -1.26 -4.51 121.76 118.91 3iaq s ALA 97 Ca 0.29 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3iaq s ALA 97 Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 3iaq s ALA 97 CO 0.20 -0.19 1.37 -1.25 0.00 0.00 0.00 175.76 175.90 3iaq s PRO 98 N 1.03 4.33 -0.18 0.00 0.04 -1.26 -5.01 135.00 133.96 3iaq s PRO 98 Ca 0.33 2.15 -0.05 0.00 0.04 0.00 0.00 61.00 63.47 3iaq s PRO 98 Cb -0.17 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 3iaq s PRO 98 CO 0.14 -0.35 -0.00 0.42 0.04 0.00 0.00 177.00 177.25 3iaq s ILE 99 N 0.26 4.07 -0.31 0.56 1.01 -1.16 -4.66 121.20 120.97 3iaq s ILE 99 Ca 0.59 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 3iaq s ILE 99 Cb -0.39 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.26 3iaq s ILE 99 CO 0.38 0.46 0.14 -0.47 0.00 0.00 0.00 174.94 175.45 3iaq s TYR 100 N 0.65 3.17 -0.01 3.97 5.04 -1.26 0.64 117.35 129.54 3iaq s TYR 100 Ca -0.01 -0.66 0.02 0.00 -2.44 0.00 0.00 57.07 53.98 3iaq s TYR 100 Cb -0.14 -2.33 0.00 0.00 0.35 0.00 0.00 41.96 39.84 3iaq s TYR 100 CO 0.02 -0.48 -0.05 -0.08 -1.34 0.00 0.00 175.55 173.62 3iaq s THR 101 N 1.59 0.46 -0.03 4.34 -1.32 -1.26 -2.86 115.64 116.56 3iaq s THR 101 Ca 0.04 -0.21 -0.01 0.00 -1.21 0.00 0.00 61.69 60.30 3iaq s THR 101 Cb -0.17 -0.41 -0.01 0.00 -1.51 0.00 0.00 72.50 70.40 3iaq s THR 101 CO 0.05 0.15 0.13 -1.13 -2.21 0.00 0.00 174.62 171.61 3iaq h ASN 102 N 6.25 -0.04 0.00 8.08 -1.24 -1.90 -3.37 115.58 123.37 3iaq h ASN 102 Ca -0.31 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.59 3iaq h ASN 102 Cb 1.18 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 3iaq h ASN 102 CO 0.50 0.12 -1.14 0.52 -1.29 0.00 0.00 177.43 176.14 3iaq n VAL 103 N -2.99 1.02 -1.71 2.57 0.31 -1.26 -4.17 118.33 112.09 3iaq n VAL 103 Ca -0.01 0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.93 3iaq n VAL 103 Cb 0.02 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 3iaq n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3iaq n THR 104 N -3.76 0.65 -1.83 2.52 -1.04 -1.26 -3.34 114.28 106.22 3iaq n THR 104 Ca -0.17 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.28 3iaq n THR 104 Cb 0.48 -1.82 0.01 0.00 -1.82 0.00 0.00 70.33 67.18 3iaq n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3iaq s TYR 105 N 0.36 2.56 -1.81 -1.42 2.02 -1.26 -4.84 117.35 112.97 3iaq s TYR 105 Ca 0.69 1.24 0.16 0.00 -0.37 0.00 0.00 57.07 58.79 3iaq s TYR 105 Cb -0.55 -3.94 0.90 0.00 -0.40 0.00 0.00 41.96 37.97 3iaq s TYR 105 CO 0.44 -2.86 1.40 -0.35 -1.57 0.00 0.00 175.55 172.61 3iaq n PRO 106 N 0.16 0.41 -4.37 -1.71 -0.04 -1.26 -4.73 135.00 123.46 3iaq n PRO 106 Ca 0.03 0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 3iaq n PRO 106 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3iaq n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3iaq s ILE 107 N -2.19 1.03 0.09 0.52 -4.36 -1.26 -5.06 121.20 109.97 3iaq s ILE 107 Ca 0.21 -2.02 -0.31 0.00 -0.26 0.00 0.00 60.65 58.27 3iaq s ILE 107 Cb 0.11 -2.55 -0.08 0.00 1.25 0.00 0.00 42.46 41.19 3iaq s ILE 107 CO 0.20 -0.16 1.50 -0.89 0.24 0.00 0.00 174.94 175.84 3iaq s THR 108 N -3.42 3.16 -0.78 8.37 2.01 -1.26 -4.92 115.64 118.80 3iaq s THR 108 Ca 0.33 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.81 3iaq s THR 108 Cb 0.07 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 3iaq s THR 108 CO 0.12 0.03 1.66 -0.69 -0.69 0.00 0.00 174.62 175.05 3iaq s VAL 109 N 1.77 3.56 -0.42 3.82 1.01 -1.26 -4.79 120.40 124.09 3iaq s VAL 109 Ca 0.68 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.71 3iaq s VAL 109 Cb -0.38 -4.39 0.29 0.00 0.00 0.00 0.00 36.38 31.90 3iaq s VAL 109 CO 0.30 -1.33 0.79 -3.20 0.00 0.00 0.00 175.10 171.66 3iaq n ASN 110 N 11.53 -0.84 -4.72 3.32 5.15 -1.26 -5.12 115.26 123.32 3iaq n ASN 110 Ca 0.23 -3.14 -0.42 0.00 -0.60 0.00 0.00 54.58 50.65 3iaq n ASN 110 Cb 0.50 0.46 -0.00 0.00 -0.53 0.00 0.00 39.78 40.20 3iaq n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3iaq n PRO 111 N 0.90 2.25 -0.60 1.20 -0.04 -1.26 -0.29 135.00 137.15 3iaq n PRO 111 Ca 0.16 0.79 0.06 0.00 -0.04 0.00 0.00 63.50 64.47 3iaq n PRO 111 Cb 0.63 -2.42 0.30 0.00 -0.04 0.00 0.00 33.50 31.97 3iaq n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3iaq n PRO 112 N 0.47 3.63 -2.75 0.54 -0.04 -1.26 -5.11 135.00 130.48 3iaq n PRO 112 Ca 0.04 -2.35 -0.39 0.00 -0.04 0.00 0.00 63.50 60.76 3iaq n PRO 112 Cb 0.37 -1.94 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 3iaq n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iaq s PHE 113 N -2.10 3.82 0.31 0.54 0.08 0.60 -4.24 117.98 116.99 3iaq s PHE 113 Ca 0.41 1.84 0.11 0.00 0.12 0.00 0.00 56.93 59.41 3iaq s PHE 113 Cb 0.29 -2.97 -0.06 0.00 -0.57 0.00 0.00 43.02 39.72 3iaq s PHE 113 CO 0.16 0.28 -0.12 0.14 -0.10 0.00 0.00 175.22 175.57 3iaq s VAL 114 N -1.39 2.48 0.45 -0.44 -7.23 -1.26 -4.48 120.40 108.52 3iaq s VAL 114 Ca 0.46 -2.24 -0.24 0.00 -1.81 0.00 0.00 61.98 58.15 3iaq s VAL 114 Cb -0.23 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 3iaq s VAL 114 CO 0.29 -0.30 1.07 -2.65 -0.31 0.00 0.00 175.10 173.20 3iaq n PRO 115 N -0.75 1.42 0.21 4.82 -0.02 -1.26 -4.89 135.00 134.54 3iaq n PRO 115 Ca -0.05 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 3iaq n PRO 115 Cb 0.62 -2.15 0.44 0.00 -0.02 0.00 0.00 33.50 32.39 3iaq n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3iaq h THR 116 N 1.51 1.11 -1.46 3.45 1.35 -1.99 -3.31 112.91 113.56 3iaq h THR 116 Ca -0.46 -1.04 -0.62 0.00 -0.55 0.00 0.00 66.41 63.74 3iaq h THR 116 Cb 1.33 1.57 -0.12 0.00 -1.73 0.00 0.00 68.15 69.21 3iaq h THR 116 CO 0.57 0.29 1.32 -1.61 -0.25 0.00 0.00 175.52 175.84 3iaq s GLU 117 N -4.25 3.58 -0.33 4.72 2.02 -1.26 -4.73 118.70 118.45 3iaq s GLU 117 Ca -0.03 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 53.73 3iaq s GLU 117 Cb 0.14 -5.22 0.09 0.00 0.10 0.00 0.00 34.13 29.24 3iaq s GLU 117 CO 0.70 -2.10 0.04 1.21 0.02 0.00 0.00 175.26 175.12 3iaq s ASN 118 N 4.62 4.79 -0.34 -0.19 3.84 -0.53 -4.98 114.94 122.16 3iaq s ASN 118 Ca 0.42 -1.92 -0.41 0.00 0.21 0.00 0.00 52.86 51.17 3iaq s ASN 118 Cb -0.01 -1.65 -0.16 0.00 -0.55 0.00 0.00 41.25 38.88 3iaq s ASN 118 CO -0.09 -0.36 1.84 -2.65 -2.79 0.00 0.00 177.10 173.05 3iaq n PRO 119 N 4.37 0.91 -4.42 0.43 -0.02 -1.22 -3.30 135.00 131.75 3iaq n PRO 119 Ca -0.02 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.44 3iaq n PRO 119 Cb 0.42 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 3iaq n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iaq s THR 120 N 4.32 3.15 -0.27 3.45 2.01 0.87 -1.85 115.64 127.33 3iaq s THR 120 Ca 1.03 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 3iaq s THR 120 Cb -1.12 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 3iaq s THR 120 CO 0.65 0.49 0.12 -0.83 -0.69 0.00 0.00 174.62 174.36 3iaq s GLY 121 N 0.78 1.83 -0.58 4.40 0.00 0.51 -0.53 107.32 113.74 3iaq s GLY 121 Ca -0.04 -1.16 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 3iaq s GLY 121 CO 0.01 0.60 0.49 0.00 0.00 0.00 0.00 173.10 174.19 3iaq s TYR 123 N 1.09 3.49 0.11 0.00 1.51 -0.67 -0.55 117.35 122.33 3iaq s TYR 123 Ca 0.08 0.76 -0.09 0.00 -1.01 0.00 0.00 57.07 56.81 3iaq s TYR 123 Cb -0.24 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 3iaq s TYR 123 CO -0.01 0.39 0.22 -1.54 -1.11 0.00 0.00 175.55 173.50 3iaq s SER 124 N -2.20 0.08 -0.24 2.29 1.04 0.46 -1.22 113.70 113.90 3iaq s SER 124 Ca 0.41 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 3iaq s SER 124 Cb -0.12 0.37 0.09 0.00 0.10 0.00 0.00 66.02 66.45 3iaq s SER 124 CO 0.21 -0.77 0.54 -0.22 0.98 0.00 0.00 173.24 173.99 3iaq s LEU 125 N -2.88 -0.71 -0.36 2.42 2.96 -1.17 -1.35 118.68 117.60 3iaq s LEU 125 Ca 0.07 1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 55.05 3iaq s LEU 125 Cb 0.04 1.84 -0.00 0.00 0.50 0.00 0.00 46.19 48.57 3iaq s LEU 125 CO -0.09 -0.22 0.44 -0.89 -1.32 0.00 0.00 176.35 174.27 3iaq s THR 126 N 2.13 5.08 0.25 3.68 2.01 -1.26 -0.92 115.64 126.61 3iaq s THR 126 Ca -0.07 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.07 3iaq s THR 126 Cb -0.09 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 3iaq s THR 126 CO -0.16 -0.20 0.03 0.72 -0.69 0.00 0.00 174.62 174.32 3iaq s PHE 127 N 2.21 1.59 -0.07 4.92 -0.71 0.30 -4.94 117.98 121.28 3iaq s PHE 127 Ca 0.15 -1.01 -0.00 0.00 -1.04 0.00 0.00 56.93 55.03 3iaq s PHE 127 Cb -0.16 -0.95 -0.03 0.00 -1.21 0.00 0.00 43.02 40.67 3iaq s PHE 127 CO 0.13 -0.13 -0.03 1.21 -1.34 0.00 0.00 175.22 175.06 3iaq s ASN 128 N -3.33 4.94 -0.11 1.98 3.84 -1.26 -0.25 114.94 120.75 3iaq s ASN 128 Ca 0.32 0.05 0.02 0.00 0.21 0.00 0.00 52.86 53.45 3iaq s ASN 128 Cb 0.07 -1.31 0.02 0.00 -0.55 0.00 0.00 41.25 39.47 3iaq s ASN 128 CO 0.11 0.36 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.94 3iaq s VAL 129 N -0.87 1.53 0.46 -5.21 1.01 0.18 -4.98 120.40 112.52 3iaq s VAL 129 Ca 0.13 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3iaq s VAL 129 Cb -0.11 -1.40 -0.08 0.00 0.00 0.00 0.00 36.38 34.80 3iaq s VAL 129 CO 0.03 0.45 1.36 -1.81 0.00 0.00 0.00 175.10 175.12 3iaq s ASP 130 N 1.03 5.89 0.24 3.32 1.01 -1.26 -1.54 116.67 125.35 3iaq s ASP 130 Ca -0.05 2.77 -0.05 0.00 0.71 0.00 0.00 52.55 55.92 3iaq s ASP 130 Cb -0.15 -2.64 0.42 0.00 1.01 0.00 0.00 42.92 41.57 3iaq s ASP 130 CO -0.02 -1.15 1.71 -0.08 0.21 0.00 0.00 175.17 175.84 3iaq h GLU 131 N 2.22 0.36 -0.79 8.23 4.57 -1.97 -2.32 114.58 124.87 3iaq h GLU 131 Ca -0.50 -0.02 0.18 0.00 -1.18 0.00 0.00 59.36 57.84 3iaq h GLU 131 Cb 1.27 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 3iaq h GLU 131 CO 0.61 0.24 0.54 0.66 -1.18 0.00 0.00 179.01 179.87 3iaq h SER 132 N 0.37 0.28 0.50 1.04 4.64 -1.98 0.17 113.55 118.57 3iaq h SER 132 Ca 0.39 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 3iaq h SER 132 Cb 0.61 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3iaq h SER 132 CO -0.42 0.13 -0.54 -0.50 -0.87 0.00 0.00 176.83 174.63 3iaq h TRP 133 N 0.29 0.05 0.00 4.77 4.06 -1.71 -3.26 115.95 120.16 3iaq h TRP 133 Ca 0.39 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.33 3iaq h TRP 133 Cb 1.10 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 3iaq h TRP 133 CO -0.00 0.57 -1.33 1.28 -3.56 0.00 0.00 178.44 175.40 3iaq n LEU 134 N -3.90 0.52 0.15 -4.49 4.77 0.42 -4.10 117.00 110.37 3iaq n LEU 134 Ca -0.01 -0.11 0.03 0.00 -0.03 0.00 0.00 56.01 55.88 3iaq n LEU 134 Cb 0.55 -0.04 0.15 0.00 -2.33 0.00 0.00 43.42 41.76 3iaq n LEU 134 CO 0.41 0.07 0.53 1.56 -1.33 0.00 0.00 177.39 178.63 3iaq h GLN 135 N 0.00 0.00 -3.64 3.23 4.20 -1.13 -3.47 115.11 114.30 3iaq h GLN 135 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3iaq h GLN 135 Cb 0.78 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.41 3iaq h GLN 135 CO 0.00 0.51 -0.32 -1.83 -0.67 0.00 0.00 178.83 176.53 3iaq s GLU 136 N -3.25 0.84 3.19 1.46 -1.05 -1.24 -5.11 118.70 113.55 3iaq s GLU 136 Ca 0.02 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 3iaq s GLU 136 Cb 0.10 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 3iaq s GLU 136 CO 0.73 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 177.07 3iaq n GLY 137 N 0.13 0.21 3.06 -3.83 0.00 -1.26 -4.74 105.19 98.76 3iaq n GLY 137 Ca -0.16 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 3iaq n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iaq s GLN 138 N 0.00 1.85 -0.24 1.61 0.74 0.20 -4.77 119.66 119.05 3iaq s GLN 138 Ca 0.00 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 54.90 3iaq s GLN 138 Cb 0.00 -1.52 0.02 0.00 1.10 0.00 0.00 33.01 32.61 3iaq s GLN 138 CO 0.00 0.08 -0.06 0.99 -0.55 0.00 0.00 175.29 175.75 3iaq s THR 139 N 0.52 2.96 0.27 -0.34 2.01 -1.26 -0.21 115.64 119.59 3iaq s THR 139 Ca -0.13 -0.94 0.12 0.00 0.31 0.00 0.00 61.69 61.04 3iaq s THR 139 Cb -0.15 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 3iaq s THR 139 CO 0.04 0.23 -0.20 0.00 -0.69 0.00 0.00 174.62 174.00 3iaq s ARG 140 N 1.35 1.66 -0.10 4.92 1.70 -0.65 -0.35 118.95 127.47 3iaq s ARG 140 Ca 0.01 -1.74 0.02 0.00 -0.47 0.00 0.00 55.73 53.55 3iaq s ARG 140 Cb -0.16 -1.78 -0.01 0.00 -0.57 0.00 0.00 34.95 32.43 3iaq s ARG 140 CO -0.04 0.34 -0.17 -1.50 -1.08 0.00 0.00 175.30 172.84 3iaq s ILE 141 N -2.41 2.70 -0.20 4.99 2.07 -0.57 -1.43 121.20 126.35 3iaq s ILE 141 Ca 0.29 -0.80 -0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3iaq s ILE 141 Cb -0.05 -2.09 -0.01 0.00 0.13 0.00 0.00 42.46 40.44 3iaq s ILE 141 CO 0.14 0.55 -0.07 -0.63 -1.91 0.00 0.00 174.94 173.02 3iaq s ILE 142 N 0.13 3.24 -0.48 2.00 1.01 0.10 -2.16 121.20 125.04 3iaq s ILE 142 Ca -0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 3iaq s ILE 142 Cb -0.15 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 39.98 3iaq s ILE 142 CO 0.05 0.45 0.37 -0.36 0.00 0.00 0.00 174.94 175.45 3iaq s PHE 143 N 1.28 3.41 0.42 3.97 0.40 0.60 -1.53 117.98 126.54 3iaq s PHE 143 Ca 0.03 -1.81 0.19 0.00 -0.60 0.00 0.00 56.93 54.75 3iaq s PHE 143 Cb -0.14 -3.54 1.14 0.00 0.51 0.00 0.00 43.02 40.99 3iaq s PHE 143 CO -0.03 -1.00 2.00 -0.44 0.70 0.00 0.00 175.22 176.45 3iaq h ASP 144 N 8.50 0.00 -1.23 1.36 3.32 -1.41 0.19 116.42 127.15 3iaq h ASP 144 Ca -0.22 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.93 3iaq h ASP 144 Cb 1.08 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.42 3iaq h ASP 144 CO 0.88 0.19 -0.20 -0.83 -1.72 0.00 0.00 179.24 177.56 3iaq s GLY 145 N -4.21 -0.87 -0.08 2.75 0.00 -1.26 -3.15 107.32 100.50 3iaq s GLY 145 Ca -0.03 2.07 -0.00 0.00 0.00 0.00 0.00 44.72 46.75 3iaq s GLY 145 CO 0.66 3.32 -0.04 0.14 0.00 0.00 0.00 173.10 177.17 3iaq s VAL 146 N 2.86 0.65 -0.25 1.40 1.01 -1.24 -1.96 120.40 122.87 3iaq s VAL 146 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3iaq s VAL 146 Cb -0.14 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3iaq s VAL 146 CO -0.20 0.29 -0.04 0.21 0.00 0.00 0.00 175.10 175.37 3iaq s ASN 147 N 1.56 4.45 -0.04 3.32 2.47 -0.32 -4.03 114.94 122.35 3iaq s ASN 147 Ca -0.00 -0.80 0.10 0.00 0.42 0.00 0.00 52.86 52.58 3iaq s ASN 147 Cb -0.13 -1.71 -0.15 0.00 -1.45 0.00 0.00 41.25 37.81 3iaq s ASN 147 CO -0.04 -0.13 0.17 -1.54 -3.72 0.00 0.00 177.10 171.84 3iaq n SER 148 N 4.71 2.62 -3.93 -4.21 3.41 -0.64 -0.93 113.62 114.65 3iaq n SER 148 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 3iaq n SER 148 Cb 0.47 1.26 -0.09 0.00 -0.26 0.00 0.00 64.21 65.59 3iaq n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq s ALA 149 N -2.58 -0.05 -0.10 7.33 0.00 -1.16 -3.67 121.76 121.52 3iaq s ALA 149 Ca -0.04 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 3iaq s ALA 149 Cb 0.06 0.28 0.05 0.00 0.00 0.00 0.00 23.12 23.50 3iaq s ALA 149 CO 0.42 -0.34 0.53 -0.59 0.00 0.00 0.00 175.76 175.77 3iaq s PHE 150 N -2.84 -0.50 0.05 0.00 -0.71 -1.03 -0.38 117.98 112.56 3iaq s PHE 150 Ca -0.03 1.02 -0.02 0.00 -1.04 0.00 0.00 56.93 56.87 3iaq s PHE 150 Cb 0.00 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 3iaq s PHE 150 CO -0.06 -0.42 0.23 -1.01 -1.34 0.00 0.00 175.22 172.62 3iaq s HIS 151 N -0.65 3.53 -0.09 3.49 3.76 -0.17 -2.23 115.29 122.94 3iaq s HIS 151 Ca -0.07 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.19 3iaq s HIS 151 Cb -0.03 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.85 3iaq s HIS 151 CO 0.05 0.59 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.23 3iaq s LEU 152 N -2.32 1.62 0.14 0.89 2.96 -0.30 -1.52 118.68 120.15 3iaq s LEU 152 Ca 0.33 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 53.98 3iaq s LEU 152 Cb -0.13 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 3iaq s LEU 152 CO 0.24 0.01 -0.14 0.26 -1.32 0.00 0.00 176.35 175.41 3iaq s TRP 153 N 0.91 2.60 -0.04 5.38 0.51 0.48 -0.57 118.94 128.21 3iaq s TRP 153 Ca -0.09 -0.23 -0.00 0.00 -2.12 0.00 0.00 56.10 53.66 3iaq s TRP 153 Cb -0.15 -1.34 0.03 0.00 -0.81 0.00 0.00 33.47 31.20 3iaq s TRP 153 CO 0.00 0.44 0.00 0.00 -0.51 0.00 0.00 176.95 176.89 3iaq n ASN 155 N 4.50 -3.81 0.00 0.00 3.02 0.50 -1.59 115.26 117.87 3iaq n ASN 155 Ca -0.19 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 3iaq n ASN 155 Cb 0.50 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 3iaq n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iaq n GLY 156 N -1.12 3.04 3.79 7.41 0.00 -1.22 -5.01 105.19 112.07 3iaq n GLY 156 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3iaq n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iaq s ARG 157 N -0.56 4.08 0.23 1.61 0.52 -0.62 -4.90 118.95 119.30 3iaq s ARG 157 Ca 0.00 0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.27 3iaq s ARG 157 Cb 0.00 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 3iaq s ARG 157 CO 0.00 0.48 1.32 -0.46 0.02 0.00 0.00 175.30 176.66 3iaq s TRP 158 N -0.38 3.21 -0.14 -0.53 -0.00 -1.26 -0.19 118.94 119.65 3iaq s TRP 158 Ca 0.23 1.24 -0.10 0.00 -0.00 0.00 0.00 56.10 57.47 3iaq s TRP 158 Cb -0.16 -3.63 -0.06 0.00 -0.00 0.00 0.00 33.47 29.62 3iaq s TRP 158 CO 0.11 -1.94 -0.22 0.28 -0.00 0.00 0.00 176.95 175.17 3iaq n VAL 159 N 2.27 1.13 -3.10 5.86 0.31 0.27 -4.88 118.33 120.20 3iaq n VAL 159 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3iaq n VAL 159 Cb 0.42 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 3iaq n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iaq n GLY 160 N 2.02 -0.98 3.16 2.92 0.00 -1.13 -4.71 105.19 106.47 3iaq n GLY 160 Ca -0.25 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 3iaq n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iaq s TYR 161 N -3.00 0.20 -0.11 1.61 6.14 -0.82 -1.15 117.35 120.22 3iaq s TYR 161 Ca 0.00 -0.56 -0.30 0.00 0.64 0.00 0.00 57.07 56.85 3iaq s TYR 161 Cb 0.00 -0.12 0.09 0.00 0.42 0.00 0.00 41.96 42.35 3iaq s TYR 161 CO 0.00 -0.44 0.81 0.20 0.64 0.00 0.00 175.55 176.76 3iaq s GLY 162 N -2.47 -0.45 0.39 8.97 0.00 -0.95 -0.20 107.32 112.62 3iaq s GLY 162 Ca -0.00 1.66 0.02 0.00 0.00 0.00 0.00 44.72 46.40 3iaq s GLY 162 CO -0.07 1.05 0.06 -1.06 0.00 0.00 0.00 173.10 173.08 3iaq n GLN 163 N 0.96 0.81 -1.67 2.90 6.02 0.20 -2.46 117.38 124.14 3iaq n GLN 163 Ca -0.15 -3.04 -0.01 0.00 -0.01 0.00 0.00 57.00 53.79 3iaq n GLN 163 Cb 0.57 1.20 -0.01 0.00 1.02 0.00 0.00 30.24 33.02 3iaq n GLN 163 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3iaq n ASP 164 N -1.42 -2.11 0.00 1.08 -0.08 -1.24 -4.92 116.55 107.86 3iaq n ASP 164 Ca -0.12 0.21 0.04 0.00 -1.51 0.00 0.00 54.79 53.42 3iaq n ASP 164 Cb 0.53 -1.67 0.21 0.00 2.34 0.00 0.00 41.12 42.54 3iaq n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3iaq n SER 165 N 0.22 0.00 -0.02 1.67 7.64 -1.26 -3.31 113.62 118.55 3iaq n SER 165 Ca -0.05 0.26 0.01 0.00 1.01 0.00 0.00 58.87 60.11 3iaq n SER 165 Cb 0.07 -0.35 0.02 0.00 -1.01 0.00 0.00 64.21 62.94 3iaq n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iaq n ARG 166 N -1.35 2.24 -4.13 1.43 5.12 -1.26 -3.70 116.66 115.00 3iaq n ARG 166 Ca 0.04 -1.47 -0.15 0.00 -1.93 0.00 0.00 57.85 54.33 3iaq n ARG 166 Cb 0.08 -0.97 -0.12 0.00 -1.16 0.00 0.00 32.46 30.29 3iaq n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3iaq s LEU 167 N -1.06 2.23 0.28 0.55 1.43 -1.21 -4.44 118.68 116.46 3iaq s LEU 167 Ca 0.04 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 3iaq s LEU 167 Cb 0.04 -0.31 -0.12 0.00 0.03 0.00 0.00 46.19 45.83 3iaq s LEU 167 CO 0.00 -0.12 1.53 -0.81 0.23 0.00 0.00 176.35 177.19 3iaq n PRO 168 N 1.62 2.50 -4.43 1.29 -0.04 -1.19 -4.52 135.00 130.22 3iaq n PRO 168 Ca -0.21 0.89 -0.34 0.00 -0.04 0.00 0.00 63.50 63.80 3iaq n PRO 168 Cb 0.55 -2.63 -0.12 0.00 -0.04 0.00 0.00 33.50 31.25 3iaq n PRO 168 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3iaq s SER 169 N 0.40 4.68 -0.03 3.54 0.01 0.68 -4.94 113.70 118.04 3iaq s SER 169 Ca 0.65 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.78 3iaq s SER 169 Cb -0.54 -1.76 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 3iaq s SER 169 CO 0.50 0.16 -0.15 -1.61 0.41 0.00 0.00 173.24 172.55 3iaq s GLU 170 N 0.40 1.46 0.00 12.44 2.02 -1.26 -0.29 118.70 133.47 3iaq s GLU 170 Ca -0.05 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.41 3iaq s GLU 170 Cb -0.14 -1.33 -0.00 0.00 0.10 0.00 0.00 34.13 32.76 3iaq s GLU 170 CO 0.03 0.26 -0.02 -0.06 0.02 0.00 0.00 175.26 175.49 3iaq s PHE 171 N -0.09 0.18 -0.12 1.61 0.40 -0.92 0.35 117.98 119.39 3iaq s PHE 171 Ca 0.00 -0.06 -0.27 0.00 -0.60 0.00 0.00 56.93 56.00 3iaq s PHE 171 Cb -0.09 -0.11 -0.02 0.00 0.51 0.00 0.00 43.02 43.31 3iaq s PHE 171 CO 0.01 -0.01 0.87 0.34 0.70 0.00 0.00 175.22 177.13 3iaq s ASP 172 N -0.14 7.07 0.00 1.36 -1.08 -1.26 -1.52 116.67 121.10 3iaq s ASP 172 Ca -0.00 1.31 0.05 0.00 -0.52 0.00 0.00 52.55 53.39 3iaq s ASP 172 Cb -0.01 -2.49 0.07 0.00 -1.46 0.00 0.00 42.92 39.03 3iaq s ASP 172 CO -0.00 -0.36 0.80 0.18 0.52 0.00 0.00 175.17 176.32 3iaq n LEU 173 N 4.83 1.73 -0.09 -1.34 4.77 0.52 -4.76 117.00 122.66 3iaq n LEU 173 Ca 0.05 -1.33 -0.06 0.00 -0.03 0.00 0.00 56.01 54.64 3iaq n LEU 173 Cb 0.49 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3iaq n LEU 173 CO 0.49 0.40 0.75 0.28 -1.33 0.00 0.00 177.39 177.98 3iaq h SER 174 N 0.93 -0.55 0.10 -1.43 0.02 -1.86 -0.48 113.55 110.29 3iaq h SER 174 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3iaq h SER 174 Cb 0.33 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3iaq h SER 174 CO 0.00 -0.20 0.00 0.00 -1.14 0.00 0.00 176.83 175.49 3iaq n ALA 175 N -2.76 2.27 -0.08 3.77 0.00 -1.26 -3.33 120.51 119.12 3iaq n ALA 175 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 3iaq n ALA 175 Cb 0.25 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.25 3iaq n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iaq n PHE 176 N -1.07 0.00 -3.04 0.00 3.01 -0.28 -5.03 117.46 111.04 3iaq n PHE 176 Ca 0.15 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.24 3iaq n PHE 176 Cb 0.10 -0.65 -0.06 0.00 -0.01 0.00 0.00 39.48 38.86 3iaq n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3iaq s LEU 177 N -5.48 4.44 0.33 4.37 1.43 -0.63 -4.81 118.68 118.34 3iaq s LEU 177 Ca -0.15 1.53 0.09 0.00 -1.03 0.00 0.00 54.13 54.57 3iaq s LEU 177 Cb 0.05 -3.49 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 3iaq s LEU 177 CO 0.47 0.10 -0.02 0.00 0.23 0.00 0.00 176.35 177.12 3iaq s ARG 178 N -1.65 2.01 0.32 1.70 1.70 -1.26 -4.98 118.95 116.78 3iaq s ARG 178 Ca 0.40 -1.78 -0.29 0.00 -0.47 0.00 0.00 55.73 53.60 3iaq s ARG 178 Cb -0.19 -1.88 -0.12 0.00 -0.57 0.00 0.00 34.95 32.19 3iaq s ARG 178 CO 0.23 0.16 1.46 0.00 -1.08 0.00 0.00 175.30 176.07 3iaq n ALA 179 N -0.90 1.98 -0.20 7.88 0.00 -1.26 -4.55 120.51 123.45 3iaq n ALA 179 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3iaq n ALA 179 Cb 0.62 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3iaq n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 180 N 1.34 2.61 3.69 0.00 0.00 -0.59 -4.87 105.19 107.38 3iaq n GLY 180 Ca 0.06 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3iaq n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iaq s GLU 181 N 0.00 4.39 0.11 1.61 2.02 -1.26 -0.65 118.70 124.93 3iaq s GLU 181 Ca 0.00 1.65 0.04 0.00 0.02 0.00 0.00 54.97 56.68 3iaq s GLU 181 Cb 0.00 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3iaq s GLU 181 CO 0.00 -0.36 -0.10 -0.80 0.02 0.00 0.00 175.26 174.02 3iaq s ASN 182 N 1.31 1.61 -0.08 -0.19 0.01 0.65 -4.79 114.94 113.47 3iaq s ASN 182 Ca 0.55 -0.88 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 3iaq s ASN 182 Cb -0.25 -0.00 0.01 0.00 0.41 0.00 0.00 41.25 41.42 3iaq s ASN 182 CO 0.24 -0.28 -0.12 -0.60 -1.51 0.00 0.00 177.10 174.83 3iaq s ARG 183 N -3.10 1.76 0.25 -0.60 3.52 -1.26 -0.54 118.95 118.98 3iaq s ARG 183 Ca 0.09 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.20 3iaq s ARG 183 Cb -0.01 -1.49 -0.06 0.00 -1.56 0.00 0.00 34.95 31.83 3iaq s ARG 183 CO 0.00 -0.01 0.55 -0.51 -0.81 0.00 0.00 175.30 174.52 3iaq s LEU 184 N 0.80 4.12 -0.26 -0.88 1.43 -0.10 -0.37 118.68 123.42 3iaq s LEU 184 Ca -0.12 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3iaq s LEU 184 Cb -0.15 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.54 3iaq s LEU 184 CO 0.02 -0.12 0.11 0.00 0.23 0.00 0.00 176.35 176.59 3iaq s ALA 185 N -1.93 0.62 -0.40 4.21 0.00 -0.21 -3.03 121.76 121.01 3iaq s ALA 185 Ca 0.46 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 3iaq s ALA 185 Cb -0.11 -1.30 0.10 0.00 0.00 0.00 0.00 23.12 21.81 3iaq s ALA 185 CO 0.25 -1.50 0.21 0.08 0.00 0.00 0.00 175.76 174.79 3iaq s VAL 186 N 2.08 3.55 -0.41 0.00 1.01 -0.36 -0.39 120.40 125.88 3iaq s VAL 186 Ca 0.07 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.01 3iaq s VAL 186 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.92 3iaq s VAL 186 CO -0.28 -0.59 0.79 -0.32 0.00 0.00 0.00 175.10 174.70 3iaq s MET 187 N 1.24 3.56 -0.17 2.72 1.75 -0.57 -1.67 119.30 126.17 3iaq s MET 187 Ca 0.05 0.09 -0.04 0.00 -1.25 0.00 0.00 55.69 54.54 3iaq s MET 187 Cb -0.23 -3.88 -0.03 0.00 2.84 0.00 0.00 34.83 33.53 3iaq s MET 187 CO -0.02 -1.01 -0.02 0.08 -0.65 0.00 0.00 175.02 173.40 3iaq s VAL 188 N 3.23 3.98 -0.16 10.11 1.01 0.42 -1.00 120.40 138.00 3iaq s VAL 188 Ca 0.31 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3iaq s VAL 188 Cb -0.12 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3iaq s VAL 188 CO 0.20 0.48 0.12 -0.76 0.00 0.00 0.00 175.10 175.14 3iaq s LEU 189 N 0.47 4.22 0.08 3.92 1.43 0.49 -0.36 118.68 128.92 3iaq s LEU 189 Ca -0.02 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 3iaq s LEU 189 Cb -0.14 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 3iaq s LEU 189 CO 0.02 0.29 1.45 -0.09 0.23 0.00 0.00 176.35 178.25 3iaq h ARG 190 N 5.89 0.48 -6.33 1.70 2.43 -1.61 -1.69 114.38 115.26 3iaq h ARG 190 Ca -0.47 -0.19 -0.67 0.00 -0.81 0.00 0.00 59.98 57.83 3iaq h ARG 190 Cb 1.19 -0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 30.55 3iaq h ARG 190 CO 0.67 0.72 -0.71 -1.58 -1.51 0.00 0.00 179.97 177.57 3iaq s TRP 191 N -4.68 2.87 0.23 2.20 0.23 -1.26 -3.93 118.94 114.61 3iaq s TRP 191 Ca -0.14 -0.05 -0.22 0.00 -2.03 0.00 0.00 56.10 53.66 3iaq s TRP 191 Cb 0.07 -1.58 0.05 0.00 0.03 0.00 0.00 33.47 32.04 3iaq s TRP 191 CO 0.76 0.38 0.87 -1.54 0.96 0.00 0.00 176.95 178.39 3iaq s SER 192 N -1.57 -0.15 0.65 2.95 1.04 -1.26 -4.88 113.70 110.48 3iaq s SER 192 Ca 0.18 -0.62 0.40 0.00 0.48 0.00 0.00 55.95 56.39 3iaq s SER 192 Cb -0.11 0.62 2.21 0.00 0.10 0.00 0.00 66.02 68.84 3iaq s SER 192 CO 0.09 -1.18 2.29 -2.24 0.98 0.00 0.00 173.24 173.19 3iaq h ASP 193 N 2.00 0.00 -0.83 7.02 3.04 -1.25 0.14 116.42 126.55 3iaq h ASP 193 Ca -0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 3iaq h ASP 193 Cb 1.24 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.49 3iaq h ASP 193 CO 0.28 0.00 0.52 1.23 -2.04 0.00 0.00 179.24 179.23 3iaq h GLY 194 N 0.00 1.19 0.96 7.15 0.00 -1.93 -2.81 103.07 107.63 3iaq h GLY 194 Ca 0.01 -0.47 0.15 0.00 0.00 0.00 0.00 47.33 47.01 3iaq h GLY 194 CO -0.00 0.46 0.38 1.76 0.00 0.00 0.00 176.54 179.14 3iaq h SER 195 N 1.14 0.00 0.39 0.19 0.02 -1.06 -0.72 113.55 113.50 3iaq h SER 195 Ca 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3iaq h SER 195 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3iaq h SER 195 CO -0.06 0.00 -0.06 1.88 -1.14 0.00 0.00 176.83 177.45 3iaq h TYR 196 N 0.00 0.00 -0.52 3.45 0.05 -1.61 -0.82 116.97 117.51 3iaq h TYR 196 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3iaq h TYR 196 Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 3iaq h TYR 196 CO 0.00 0.06 0.00 1.28 -1.05 0.00 0.00 178.16 178.45 3iaq n LEU 197 N -3.39 3.44 -3.20 3.88 4.77 -0.29 -4.43 117.00 117.79 3iaq n LEU 197 Ca -0.02 -1.90 -0.25 0.00 -0.03 0.00 0.00 56.01 53.81 3iaq n LEU 197 Cb 0.20 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3iaq n LEU 197 CO 0.27 0.84 0.00 -0.62 -1.33 0.00 0.00 177.39 176.55 3iaq n GLU 198 N 1.17 2.28 -1.74 3.23 1.02 -0.31 -0.08 120.64 126.22 3iaq n GLU 198 Ca 0.18 -4.35 -0.27 0.00 -0.02 0.00 0.00 57.16 52.71 3iaq n GLU 198 Cb 0.53 -2.02 0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3iaq n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3iaq n ASP 199 N 0.50 5.78 -4.77 1.62 2.03 -0.71 -4.91 116.55 116.09 3iaq n ASP 199 Ca 0.28 -3.77 -0.34 0.00 0.52 0.00 0.00 54.79 51.49 3iaq n ASP 199 Cb 0.45 -0.57 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 3iaq n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3iaq s GLN 200 N -3.67 3.04 -1.10 -0.67 1.11 -1.26 -4.54 119.66 112.57 3iaq s GLN 200 Ca 0.56 1.52 -0.22 0.00 0.01 0.00 0.00 55.36 57.23 3iaq s GLN 200 Cb 0.44 -1.97 0.00 0.00 -1.01 0.00 0.00 33.01 30.48 3iaq s GLN 200 CO 0.02 -1.09 1.75 0.34 0.01 0.00 0.00 175.29 176.32 3iaq s ASP 201 N -2.16 5.94 0.21 5.90 2.15 -1.26 -4.82 116.67 122.63 3iaq s ASP 201 Ca 0.70 -1.55 -0.22 0.00 0.43 0.00 0.00 52.55 51.91 3iaq s ASP 201 Cb -0.23 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.89 3iaq s ASP 201 CO 0.35 -2.06 0.98 0.00 -0.17 0.00 0.00 175.17 174.26 3iaq s MET 202 N 5.61 1.44 0.20 4.34 0.23 -1.26 -5.02 119.30 124.84 3iaq s MET 202 Ca 0.59 -0.90 -0.30 0.00 -1.03 0.00 0.00 55.69 54.04 3iaq s MET 202 Cb -0.01 0.42 -0.09 0.00 -1.53 0.00 0.00 34.83 33.62 3iaq s MET 202 CO 0.02 -0.67 1.40 -1.58 -2.03 0.00 0.00 175.02 172.16 3iaq s TRP 203 N -2.44 3.14 -0.57 3.16 0.52 -1.26 -4.15 118.94 117.34 3iaq s TRP 203 Ca 0.19 1.04 -0.21 0.00 0.02 0.00 0.00 56.10 57.14 3iaq s TRP 203 Cb -0.03 -3.74 0.07 0.00 -1.15 0.00 0.00 33.47 28.62 3iaq s TRP 203 CO 0.06 -2.44 0.78 1.03 0.02 0.00 0.00 176.95 176.40 3iaq s ARG 204 N 0.10 3.14 0.00 4.98 1.81 0.21 -4.94 118.95 124.24 3iaq s ARG 204 Ca 0.60 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 3iaq s ARG 204 Cb -0.39 -4.16 0.00 0.00 -0.45 0.00 0.00 34.95 29.94 3iaq s ARG 204 CO 0.38 -1.49 0.00 -1.33 -0.68 0.00 0.00 175.30 172.18 3iaq n MET 205 N 6.82 2.28 -3.51 3.54 2.81 -1.26 -2.97 117.12 124.83 3iaq n MET 205 Ca -0.05 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.75 3iaq n MET 205 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.94 3iaq n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3iaq s SER 206 N -0.68 -0.37 0.00 7.83 1.04 -1.26 -4.82 113.70 115.45 3iaq s SER 206 Ca 0.00 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3iaq s SER 206 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3iaq s SER 206 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3iaq n GLY 207 N -0.20 0.33 3.49 7.32 0.00 -0.11 -2.23 105.19 113.79 3iaq n GLY 207 Ca -0.09 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 3iaq n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iaq s ILE 208 N -0.25 4.53 -1.93 -0.61 1.01 -1.23 -1.18 121.20 121.55 3iaq s ILE 208 Ca 0.00 -1.50 0.22 0.00 0.00 0.00 0.00 60.65 59.37 3iaq s ILE 208 Cb 0.00 -4.88 -0.02 0.00 0.01 0.00 0.00 42.46 37.56 3iaq s ILE 208 CO 0.00 -1.65 1.06 2.22 0.00 0.00 0.00 174.94 176.56 3iaq n PHE 209 N 7.12 0.00 -4.74 3.97 -1.74 -0.83 -0.51 117.46 120.74 3iaq n PHE 209 Ca 0.29 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.85 3iaq n PHE 209 Cb 0.49 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.42 3iaq n PHE 209 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3iaq n ARG 210 N -0.11 0.69 -1.71 3.97 1.74 -1.11 -4.29 116.66 115.83 3iaq n ARG 210 Ca 0.09 -3.81 -0.40 0.00 -0.77 0.00 0.00 57.85 52.96 3iaq n ARG 210 Cb 0.45 1.22 0.02 0.00 -1.02 0.00 0.00 32.46 33.13 3iaq n ARG 210 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iaq n ASP 211 N -1.36 2.52 -4.39 0.55 8.00 -1.26 -4.48 116.55 116.14 3iaq n ASP 211 Ca -0.19 1.06 -0.32 0.00 0.71 0.00 0.00 54.79 56.05 3iaq n ASP 211 Cb 0.66 -1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 40.10 3iaq n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iaq s VAL 212 N -1.24 2.69 0.07 2.53 1.01 -1.26 -1.17 120.40 123.03 3iaq s VAL 212 Ca 0.64 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3iaq s VAL 212 Cb -0.48 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3iaq s VAL 212 CO 0.55 0.57 0.16 -0.94 0.00 0.00 0.00 175.10 175.45 3iaq s SER 213 N -0.39 0.15 -0.19 3.32 1.04 -0.58 -0.73 113.70 116.32 3iaq s SER 213 Ca 0.04 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3iaq s SER 213 Cb -0.12 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3iaq s SER 213 CO 0.02 -0.68 -0.13 -0.76 0.98 0.00 0.00 173.24 172.67 3iaq s LEU 214 N -2.70 2.49 -0.20 2.42 1.43 0.65 -0.72 118.68 122.04 3iaq s LEU 214 Ca 0.03 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3iaq s LEU 214 Cb 0.04 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 3iaq s LEU 214 CO -0.09 0.02 -0.08 -0.22 0.23 0.00 0.00 176.35 176.20 3iaq s LEU 215 N 1.23 2.74 -0.17 1.79 2.96 -0.51 -0.66 118.68 126.05 3iaq s LEU 215 Ca 0.03 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.32 3iaq s LEU 215 Cb -0.14 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3iaq s LEU 215 CO -0.06 0.01 0.53 -2.28 -1.32 0.00 0.00 176.35 173.23 3iaq s HIS 216 N 1.29 3.42 0.09 5.38 5.65 0.49 -1.64 115.29 129.96 3iaq s HIS 216 Ca 0.03 0.85 0.10 0.00 0.25 0.00 0.00 55.06 56.29 3iaq s HIS 216 Cb -0.14 -2.66 -0.03 0.00 -1.18 0.00 0.00 32.58 28.56 3iaq s HIS 216 CO -0.04 -0.03 -0.27 0.15 -0.65 0.00 0.00 174.74 173.91 3iaq s LYS 217 N 1.35 1.60 0.78 2.88 -0.14 0.71 -4.73 119.74 122.20 3iaq s LYS 217 Ca 0.26 -1.22 -0.13 0.00 -1.36 0.00 0.00 55.97 53.51 3iaq s LYS 217 Cb -0.15 -1.93 0.07 0.00 -1.68 0.00 0.00 37.83 34.13 3iaq s LYS 217 CO 0.10 0.48 1.17 -2.14 -0.76 0.00 0.00 175.35 174.21 3iaq s PRO 218 N -1.64 1.86 0.09 -1.68 0.02 -1.26 0.63 135.00 133.02 3iaq s PRO 218 Ca 0.13 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 3iaq s PRO 218 Cb -0.10 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 3iaq s PRO 218 CO 0.04 -2.02 1.68 1.15 -0.33 0.00 0.00 177.00 177.51 3iaq h THR 219 N -0.82 0.63 -3.49 0.99 2.02 -1.93 -3.36 112.91 106.96 3iaq h THR 219 Ca -0.46 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.14 3iaq h THR 219 Cb 1.28 0.63 -0.09 0.00 -1.74 0.00 0.00 68.15 68.23 3iaq h THR 219 CO 0.48 0.00 0.77 -0.89 0.37 0.00 0.00 175.52 176.25 3iaq s THR 220 N -6.12 4.27 0.15 3.16 2.01 -1.26 -4.13 115.64 113.72 3iaq s THR 220 Ca -0.15 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.69 3iaq s THR 220 Cb 0.06 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 3iaq s THR 220 CO 0.65 -1.06 0.01 0.00 -0.69 0.00 0.00 174.62 173.53 3iaq s GLN 221 N 4.27 1.01 -0.38 4.92 -2.07 -0.69 -4.84 119.66 121.89 3iaq s GLN 221 Ca 0.40 -1.48 -0.27 0.00 -1.82 0.00 0.00 55.36 52.20 3iaq s GLN 221 Cb -0.09 -0.11 0.02 0.00 -1.09 0.00 0.00 33.01 31.74 3iaq s GLN 221 CO 0.26 -0.15 0.98 0.42 -1.32 0.00 0.00 175.29 175.48 3iaq s ILE 222 N -3.77 4.52 -0.40 3.63 1.01 -1.26 -1.99 121.20 122.94 3iaq s ILE 222 Ca 0.22 1.28 0.22 0.00 0.00 0.00 0.00 60.65 62.37 3iaq s ILE 222 Cb 0.06 -4.39 -0.25 0.00 0.01 0.00 0.00 42.46 37.90 3iaq s ILE 222 CO 0.02 -0.60 0.73 -1.54 0.00 0.00 0.00 174.94 173.55 3iaq n SER 223 N 6.95 0.43 -3.60 3.58 3.41 -0.12 -4.94 113.62 119.33 3iaq n SER 223 Ca 0.09 -0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.35 3iaq n SER 223 Cb 0.48 1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 65.79 3iaq n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iaq s ASP 224 N -4.07 -0.27 -0.18 4.04 2.15 -1.21 -4.82 116.67 112.30 3iaq s ASP 224 Ca -0.01 0.30 -0.09 0.00 0.43 0.00 0.00 52.55 53.18 3iaq s ASP 224 Cb 0.14 0.23 0.07 0.00 -0.30 0.00 0.00 42.92 43.06 3iaq s ASP 224 CO 0.87 -0.25 0.42 0.72 -0.17 0.00 0.00 175.17 176.76 3iaq s PHE 225 N -1.05 -0.66 -0.13 -5.34 -0.71 -1.26 -0.87 117.98 107.96 3iaq s PHE 225 Ca 0.01 1.37 -0.03 0.00 -1.04 0.00 0.00 56.93 57.24 3iaq s PHE 225 Cb -0.01 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 42.06 3iaq s PHE 225 CO -0.01 -0.38 -0.01 -1.01 -1.34 0.00 0.00 175.22 172.46 3iaq s HIS 226 N 1.70 3.10 -0.12 3.49 3.76 -0.08 -4.82 115.29 122.32 3iaq s HIS 226 Ca -0.08 -0.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 3iaq s HIS 226 Cb -0.09 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 3iaq s HIS 226 CO -0.13 0.20 -0.14 0.08 -0.85 0.00 0.00 174.74 173.90 3iaq s VAL 227 N -0.17 2.97 0.05 -0.90 1.01 -1.26 -0.86 120.40 121.24 3iaq s VAL 227 Ca 0.04 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3iaq s VAL 227 Cb -0.13 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3iaq s VAL 227 CO 0.02 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.55 3iaq s ALA 228 N 0.22 0.81 -0.10 5.51 0.00 0.27 -4.84 121.76 123.63 3iaq s ALA 228 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3iaq s ALA 228 Cb -0.15 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3iaq s ALA 228 CO 0.05 0.07 -0.10 0.95 0.00 0.00 0.00 175.76 176.73 3iaq s THR 229 N -1.21 1.14 0.20 0.00 -4.23 -1.26 -0.36 115.64 109.91 3iaq s THR 229 Ca -0.06 -0.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.15 3iaq s THR 229 Cb -0.09 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 3iaq s THR 229 CO 0.01 0.37 -0.21 0.00 -0.54 0.00 0.00 174.62 174.25 3iaq s ARG 230 N 1.27 1.46 0.06 3.99 1.70 -0.97 -4.85 118.95 121.61 3iaq s ARG 230 Ca -0.03 -1.53 0.04 0.00 -0.47 0.00 0.00 55.73 53.74 3iaq s ARG 230 Cb -0.14 -1.64 -0.03 0.00 -0.57 0.00 0.00 34.95 32.58 3iaq s ARG 230 CO -0.04 0.34 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.34 3iaq s PHE 231 N -1.99 1.00 0.94 5.89 0.40 -1.26 -1.62 117.98 121.34 3iaq s PHE 231 Ca 0.21 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 3iaq s PHE 231 Cb -0.06 -0.57 0.15 0.00 0.51 0.00 0.00 43.02 43.05 3iaq s PHE 231 CO 0.10 0.00 1.10 0.54 0.70 0.00 0.00 175.22 177.65 3iaq s ASN 232 N -1.65 3.15 0.28 1.36 4.22 -0.87 -4.91 114.94 116.52 3iaq s ASN 232 Ca -0.05 1.30 0.01 0.00 -2.14 0.00 0.00 52.86 51.98 3iaq s ASN 232 Cb -0.10 -1.97 0.66 0.00 1.28 0.00 0.00 41.25 41.13 3iaq s ASN 232 CO 0.02 -2.82 1.67 -2.24 -2.04 0.00 0.00 177.10 171.69 3iaq h ASP 233 N -1.68 0.13 -0.68 3.54 3.04 -2.01 -0.95 116.42 117.81 3iaq h ASP 233 Ca -0.52 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 3iaq h ASP 233 Cb 1.31 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 39.80 3iaq h ASP 233 CO 0.57 -0.07 0.00 -0.90 -2.04 0.00 0.00 179.24 176.80 3iaq n ASP 234 N -5.14 3.85 -0.94 4.15 5.75 -1.26 -4.96 116.55 118.01 3iaq n ASP 234 Ca 0.20 -2.00 -0.12 0.00 -0.01 0.00 0.00 54.79 52.86 3iaq n ASP 234 Cb 0.62 -0.45 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 3iaq n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3iaq n PHE 235 N 1.63 0.00 1.18 2.11 3.01 -0.36 -4.86 117.46 120.16 3iaq n PHE 235 Ca 0.24 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.83 3iaq n PHE 235 Cb 0.62 -2.44 0.41 0.00 -0.01 0.00 0.00 39.48 38.06 3iaq n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3iaq n SER 236 N -0.51 0.65 -3.91 4.37 3.41 -1.26 -4.46 113.62 111.90 3iaq n SER 236 Ca -0.12 -0.50 -0.13 0.00 -0.26 0.00 0.00 58.87 57.85 3iaq n SER 236 Cb 0.47 0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 3iaq n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iaq s ARG 237 N -2.69 0.19 0.03 4.33 0.52 -1.26 0.48 118.95 120.54 3iaq s ARG 237 Ca 0.20 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 3iaq s ARG 237 Cb 0.19 -0.16 -0.02 0.00 0.52 0.00 0.00 34.95 35.48 3iaq s ARG 237 CO 0.57 0.04 -0.05 0.00 0.02 0.00 0.00 175.30 175.88 3iaq s ALA 238 N -0.15 0.30 -0.25 2.13 0.00 -0.52 -2.04 121.76 121.24 3iaq s ALA 238 Ca -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 3iaq s ALA 238 Cb -0.01 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3iaq s ALA 238 CO -0.00 -0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.67 3iaq s VAL 239 N -1.58 3.13 -0.17 0.00 1.01 -0.64 -0.84 120.40 121.32 3iaq s VAL 239 Ca -0.13 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3iaq s VAL 239 Cb -0.09 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3iaq s VAL 239 CO -0.01 0.25 0.73 -0.22 0.00 0.00 0.00 175.10 175.85 3iaq s LEU 240 N 1.39 4.18 -0.24 3.92 0.20 0.21 -2.29 118.68 126.05 3iaq s LEU 240 Ca 0.02 1.02 -0.00 0.00 0.69 0.00 0.00 54.13 55.86 3iaq s LEU 240 Cb -0.16 -3.06 0.03 0.00 -0.43 0.00 0.00 46.19 42.57 3iaq s LEU 240 CO -0.03 -0.31 -0.10 -0.70 -0.29 0.00 0.00 176.35 174.91 3iaq s GLU 241 N 1.91 2.75 -0.21 1.98 2.12 0.51 -0.40 118.70 127.36 3iaq s GLU 241 Ca 0.34 -1.02 -0.02 0.00 0.36 0.00 0.00 54.97 54.64 3iaq s GLU 241 Cb -0.16 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.36 3iaq s GLU 241 CO 0.12 -0.39 -0.10 0.00 -0.54 0.00 0.00 175.26 174.34 3iaq s ALA 242 N 1.27 2.61 -0.28 6.30 0.00 0.23 -0.57 121.76 131.33 3iaq s ALA 242 Ca -0.01 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 3iaq s ALA 242 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3iaq s ALA 242 CO -0.06 -0.51 0.29 -2.00 0.00 0.00 0.00 175.76 173.48 3iaq s GLU 243 N 1.37 3.93 -0.06 0.00 2.12 -0.04 -0.46 118.70 125.55 3iaq s GLU 243 Ca 0.04 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.22 3iaq s GLU 243 Cb -0.14 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 3iaq s GLU 243 CO -0.07 -0.26 -0.16 0.08 -0.54 0.00 0.00 175.26 174.31 3iaq s VAL 244 N 1.91 2.87 0.07 3.70 1.01 0.64 -0.90 120.40 129.71 3iaq s VAL 244 Ca 0.11 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.40 3iaq s VAL 244 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3iaq s VAL 244 CO 0.11 0.57 -0.24 -1.10 0.00 0.00 0.00 175.10 174.44 3iaq s GLN 245 N -0.44 1.49 0.22 2.72 -0.21 -0.05 -1.46 119.66 121.92 3iaq s GLN 245 Ca 0.05 -1.11 0.06 0.00 0.02 0.00 0.00 55.36 54.38 3iaq s GLN 245 Cb -0.12 -1.72 -0.05 0.00 1.00 0.00 0.00 33.01 32.12 3iaq s GLN 245 CO 0.02 0.43 -0.09 0.00 -2.12 0.00 0.00 175.29 173.53 3iaq s MET 246 N -1.48 1.34 0.14 2.91 0.23 -0.82 -0.94 119.30 120.67 3iaq s MET 246 Ca 0.10 -1.63 0.07 0.00 -1.03 0.00 0.00 55.69 53.20 3iaq s MET 246 Cb -0.10 -0.94 -0.04 0.00 -1.53 0.00 0.00 34.83 32.23 3iaq s MET 246 CO 0.03 0.07 -0.17 0.00 -2.03 0.00 0.00 175.02 172.92 3iaq n GLY 248 N 0.55 -0.66 3.69 0.00 0.00 -1.26 -1.70 105.19 105.81 3iaq n GLY 248 Ca -0.15 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 3iaq n GLY 248 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iaq s GLU 249 N 0.00 4.39 -0.18 1.61 -1.05 -1.26 -5.01 118.70 117.20 3iaq s GLU 249 Ca 0.00 1.53 -0.28 0.00 -0.15 0.00 0.00 54.97 56.07 3iaq s GLU 249 Cb 0.00 -3.55 -0.00 0.00 -0.44 0.00 0.00 34.13 30.14 3iaq s GLU 249 CO 0.00 -0.37 0.98 -0.51 0.95 0.00 0.00 175.26 176.30 3iaq s LEU 250 N 2.09 4.16 0.06 1.83 1.43 -1.26 -5.00 118.68 121.98 3iaq s LEU 250 Ca 0.52 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 3iaq s LEU 250 Cb -0.21 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3iaq s LEU 250 CO 0.20 -0.54 -0.07 -0.13 0.23 0.00 0.00 176.35 176.04 3iaq s ARG 251 N 2.62 0.60 0.52 1.70 1.81 -1.26 -5.05 118.95 119.90 3iaq s ARG 251 Ca 0.44 -0.95 0.22 0.00 -1.72 0.00 0.00 55.73 53.72 3iaq s ARG 251 Cb -0.16 -0.19 1.41 0.00 -0.45 0.00 0.00 34.95 35.56 3iaq s ARG 251 CO 0.11 0.01 2.13 -0.44 -0.68 0.00 0.00 175.30 176.42 3iaq h ASP 252 N 3.95 0.00 0.85 0.23 3.32 -2.00 -2.68 116.42 120.10 3iaq h ASP 252 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3iaq h ASP 252 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3iaq h ASP 252 CO 0.50 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 3iaq n TYR 253 N -4.09 0.00 -2.50 4.55 0.18 -1.26 -4.86 117.16 109.18 3iaq n TYR 253 Ca -0.03 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.36 3iaq n TYR 253 Cb 0.16 -0.48 -0.04 0.00 -0.38 0.00 0.00 39.34 38.60 3iaq n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3iaq s LEU 254 N -2.95 4.47 0.11 -3.48 1.43 -1.01 0.42 118.68 117.67 3iaq s LEU 254 Ca 0.14 2.21 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 3iaq s LEU 254 Cb 0.17 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3iaq s LEU 254 CO 0.47 -0.20 0.05 -0.13 0.23 0.00 0.00 176.35 176.77 3iaq s ARG 255 N -1.65 0.87 -0.07 1.70 1.81 0.12 -3.86 118.95 117.87 3iaq s ARG 255 Ca 0.47 -1.37 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 3iaq s ARG 255 Cb -0.30 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.45 3iaq s ARG 255 CO 0.38 -0.24 -0.18 0.08 -0.68 0.00 0.00 175.30 174.67 3iaq s VAL 256 N -4.01 1.55 -0.23 3.52 1.01 -0.56 -1.77 120.40 119.91 3iaq s VAL 256 Ca 0.20 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3iaq s VAL 256 Cb 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3iaq s VAL 256 CO -0.01 0.45 -0.06 -0.89 0.00 0.00 0.00 175.10 174.59 3iaq s THR 257 N 0.36 3.15 -0.29 3.92 2.01 -0.07 -2.36 115.64 122.36 3iaq s THR 257 Ca -0.13 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 3iaq s THR 257 Cb -0.15 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 3iaq s THR 257 CO 0.05 0.37 0.11 -0.69 -0.69 0.00 0.00 174.62 173.77 3iaq s VAL 258 N 1.43 4.35 0.09 3.82 1.01 -0.54 -0.61 120.40 129.94 3iaq s VAL 258 Ca 0.04 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3iaq s VAL 258 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3iaq s VAL 258 CO -0.04 0.14 -0.14 -0.94 0.00 0.00 0.00 175.10 174.11 3iaq s SER 259 N 1.58 4.10 -0.16 3.32 1.04 -0.75 -1.03 113.70 121.80 3iaq s SER 259 Ca 0.04 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.05 3iaq s SER 259 Cb -0.17 -0.70 0.01 0.00 0.10 0.00 0.00 66.02 65.27 3iaq s SER 259 CO 0.04 0.20 -0.21 -0.22 0.98 0.00 0.00 173.24 174.04 3iaq s LEU 260 N -1.97 2.11 -0.02 2.42 2.96 0.19 -1.34 118.68 123.02 3iaq s LEU 260 Ca 0.18 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 3iaq s LEU 260 Cb -0.11 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3iaq s LEU 260 CO 0.10 0.04 -0.17 0.26 -1.32 0.00 0.00 176.35 175.26 3iaq s TRP 261 N 1.04 2.61 -0.47 5.38 0.52 0.95 -0.03 118.94 128.94 3iaq s TRP 261 Ca -0.01 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.92 3iaq s TRP 261 Cb -0.14 -1.56 0.12 0.00 -1.15 0.00 0.00 33.47 30.74 3iaq s TRP 261 CO -0.07 0.17 0.21 -1.14 0.02 0.00 0.00 176.95 176.14 3iaq s GLN 262 N -0.92 1.78 6.18 4.98 0.74 0.16 -0.33 119.66 132.24 3iaq s GLN 262 Ca 0.12 -2.37 0.00 0.00 0.05 0.00 0.00 55.36 53.16 3iaq s GLN 262 Cb -0.10 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3iaq s GLN 262 CO 0.02 -1.08 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 3iaq n GLY 263 N 3.43 1.63 0.01 2.59 0.00 -1.26 -2.45 105.19 109.13 3iaq n GLY 263 Ca 0.05 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3iaq n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iaq n GLU 264 N 1.16 0.59 -2.79 1.61 -0.58 -1.26 -4.93 120.64 114.45 3iaq n GLU 264 Ca 0.00 -0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.21 3iaq n GLU 264 Cb 0.00 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 3iaq n GLU 264 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3iaq s THR 265 N -3.17 4.79 -0.31 2.62 2.01 -1.03 -5.02 115.64 115.54 3iaq s THR 265 Ca -0.01 1.81 -0.26 0.00 0.31 0.00 0.00 61.69 63.53 3iaq s THR 265 Cb 0.14 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.44 3iaq s THR 265 CO 0.82 -0.06 0.94 -1.58 -0.69 0.00 0.00 174.62 174.06 3iaq s GLN 266 N 2.58 4.03 0.00 4.92 0.74 -1.26 0.36 119.66 131.03 3iaq s GLN 266 Ca 0.41 0.87 0.21 0.00 0.05 0.00 0.00 55.36 56.90 3iaq s GLN 266 Cb -0.16 -3.73 -0.25 0.00 1.10 0.00 0.00 33.01 29.97 3iaq s GLN 266 CO 0.10 -0.79 0.56 1.33 -0.55 0.00 0.00 175.29 175.95 3iaq n VAL 267 N 5.69 0.39 -3.57 1.34 0.24 0.96 -4.98 118.33 118.40 3iaq n VAL 267 Ca 0.08 -0.57 -0.16 0.00 -2.04 0.00 0.00 64.34 61.65 3iaq n VAL 267 Cb 0.47 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 3iaq n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iaq s ALA 268 N -3.31 -1.51 -0.09 2.33 0.00 -1.17 -4.97 121.76 113.04 3iaq s ALA 268 Ca -0.06 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 3iaq s ALA 268 Cb 0.12 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.37 3iaq s ALA 268 CO 0.87 -0.38 0.40 0.45 0.00 0.00 0.00 175.76 177.10 3iaq s SER 269 N -1.38 -0.36 -0.03 0.00 0.15 -1.26 0.55 113.70 111.36 3iaq s SER 269 Ca -0.10 0.54 -0.03 0.00 0.70 0.00 0.00 55.95 57.06 3iaq s SER 269 Cb -0.01 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 3iaq s SER 269 CO 0.06 -0.31 0.08 -0.83 1.20 0.00 0.00 173.24 173.45 3iaq s GLY 270 N -0.53 -0.04 -0.07 9.45 0.00 -0.20 -5.00 107.32 110.93 3iaq s GLY 270 Ca -0.06 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3iaq s GLY 270 CO 0.03 0.33 -0.08 -1.59 0.00 0.00 0.00 173.10 171.79 3iaq s THR 271 N 0.26 0.88 0.04 0.90 2.01 -1.26 -1.47 115.64 117.00 3iaq s THR 271 Ca -0.02 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 3iaq s THR 271 Cb -0.03 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 3iaq s THR 271 CO -0.01 0.32 0.09 0.00 -0.69 0.00 0.00 174.62 174.33 3iaq s ALA 272 N 1.16 -0.03 0.92 7.40 0.00 -0.99 -5.00 121.76 125.22 3iaq s ALA 272 Ca -0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 3iaq s ALA 272 Cb -0.14 0.26 0.16 0.00 0.00 0.00 0.00 23.12 23.39 3iaq s ALA 272 CO -0.02 -0.33 1.22 -1.25 0.00 0.00 0.00 175.76 175.39 3iaq s PRO 273 N -2.71 1.02 0.74 0.00 0.04 -1.26 -1.50 135.00 131.33 3iaq s PRO 273 Ca -0.04 -0.07 -0.11 0.00 0.04 0.00 0.00 61.00 60.81 3iaq s PRO 273 Cb -0.01 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.71 3iaq s PRO 273 CO -0.05 -2.21 1.09 -0.06 0.04 0.00 0.00 177.00 175.80 3iaq s PHE 274 N -3.60 3.10 0.00 0.56 0.08 -1.25 -4.82 117.98 112.05 3iaq s PHE 274 Ca 0.68 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.88 3iaq s PHE 274 Cb -0.09 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 3iaq s PHE 274 CO 0.52 -1.42 0.00 0.41 -0.10 0.00 0.00 175.22 174.63 3iaq n GLY 275 N -2.46 0.65 3.81 4.36 0.00 0.82 -4.98 105.19 107.38 3iaq n GLY 275 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3iaq n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iaq s GLY 276 N 0.00 1.67 0.95 -0.02 0.00 0.92 -4.84 107.32 106.00 3iaq s GLY 276 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.67 3iaq s GLY 276 CO 0.00 -0.21 1.13 -1.83 0.00 0.00 0.00 173.10 172.19 3iaq s GLU 277 N -5.60 0.70 0.03 2.90 -1.05 -1.26 -4.46 118.70 109.96 3iaq s GLU 277 Ca 0.70 1.45 -0.30 0.00 -0.15 0.00 0.00 54.97 56.67 3iaq s GLU 277 Cb -0.08 -1.70 -0.08 0.00 -0.44 0.00 0.00 34.13 31.83 3iaq s GLU 277 CO 0.54 -2.82 1.85 0.42 0.95 0.00 0.00 175.26 176.20 3iaq s ILE 278 N -2.62 3.08 -0.24 1.83 1.01 -1.26 -4.21 121.20 118.79 3iaq s ILE 278 Ca 0.67 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 61.36 3iaq s ILE 278 Cb -0.23 -3.14 -0.16 0.00 0.01 0.00 0.00 42.46 38.93 3iaq s ILE 278 CO 0.59 -0.02 -0.03 -0.38 0.00 0.00 0.00 174.94 175.10 3iaq n ILE 279 N 5.34 1.54 -3.63 2.92 2.08 0.15 -4.90 119.36 122.86 3iaq n ILE 279 Ca 0.19 -0.19 -0.02 0.00 0.56 0.00 0.00 62.75 63.28 3iaq n ILE 279 Cb 0.41 -1.96 -0.00 0.00 -0.75 0.00 0.00 39.64 37.33 3iaq n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3iaq n ASP 280 N -4.33 -0.21 0.33 4.38 5.68 -0.46 -5.02 116.55 116.92 3iaq n ASP 280 Ca -0.42 -1.28 0.19 0.00 -0.50 0.00 0.00 54.79 52.78 3iaq n ASP 280 Cb 0.78 0.38 1.00 0.00 -1.14 0.00 0.00 41.12 42.14 3iaq n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3iaq h GLU 281 N 0.00 0.00 -0.26 0.11 3.07 -2.04 0.15 114.58 115.62 3iaq h GLU 281 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3iaq h GLU 281 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3iaq h GLU 281 CO 0.06 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.21 3iaq n ARG 282 N -3.05 2.20 0.00 2.33 5.12 -1.26 -5.06 116.66 116.95 3iaq n ARG 282 Ca -0.02 -1.80 0.00 0.00 -1.93 0.00 0.00 57.85 54.10 3iaq n ARG 282 Cb 0.24 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 3iaq n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iaq n GLY 283 N 1.35 0.49 0.00 -0.13 0.00 0.52 -5.06 105.19 102.36 3iaq n GLY 283 Ca 0.18 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3iaq n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 284 N 0.00 5.65 3.43 -0.02 0.00 -1.26 -0.68 105.19 112.31 3iaq n GLY 284 Ca 0.00 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 3iaq n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iaq s TYR 285 N -0.60 3.05 -0.55 1.61 2.02 -1.26 -4.90 117.35 116.72 3iaq s TYR 285 Ca 0.00 -0.66 0.25 0.00 -0.37 0.00 0.00 57.07 56.29 3iaq s TYR 285 Cb 0.00 -3.62 0.90 0.00 -0.40 0.00 0.00 41.96 38.84 3iaq s TYR 285 CO 0.00 -1.08 1.75 0.00 -1.57 0.00 0.00 175.55 174.65 3iaq h ALA 286 N 9.02 1.00 -0.59 3.71 0.00 -1.92 0.27 119.26 130.75 3iaq h ALA 286 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3iaq h ALA 286 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3iaq h ALA 286 CO 0.99 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 3iaq n ASP 287 N -2.33 4.55 -4.30 0.00 5.75 -1.26 -2.85 116.55 116.10 3iaq n ASP 287 Ca 0.04 -2.47 -0.16 0.00 -0.01 0.00 0.00 54.79 52.18 3iaq n ASP 287 Cb 0.33 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.75 3iaq n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iaq s ARG 288 N -1.94 1.27 -0.12 0.11 0.52 -1.07 -1.95 118.95 115.78 3iaq s ARG 288 Ca 0.47 -1.63 -0.21 0.00 -0.52 0.00 0.00 55.73 53.84 3iaq s ARG 288 Cb 0.31 -0.53 0.05 0.00 0.52 0.00 0.00 34.95 35.30 3iaq s ARG 288 CO 0.21 -0.10 0.52 0.54 0.02 0.00 0.00 175.30 176.50 3iaq s VAL 289 N -3.48 0.01 -0.21 3.52 0.11 -0.54 -0.13 120.40 119.70 3iaq s VAL 289 Ca 0.27 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 3iaq s VAL 289 Cb 0.06 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3iaq s VAL 289 CO 0.07 -0.06 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.76 3iaq s THR 290 N -0.48 2.59 -0.19 5.04 2.01 -1.26 -0.26 115.64 123.09 3iaq s THR 290 Ca -0.06 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 3iaq s THR 290 Cb -0.03 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 3iaq s THR 290 CO 0.04 0.43 0.19 -0.76 -0.69 0.00 0.00 174.62 173.83 3iaq s LEU 291 N 1.35 4.22 -0.25 4.42 2.01 0.39 -4.94 118.68 125.87 3iaq s LEU 291 Ca 0.04 0.32 0.01 0.00 0.01 0.00 0.00 54.13 54.51 3iaq s LEU 291 Cb -0.14 -2.19 0.04 0.00 0.01 0.00 0.00 46.19 43.91 3iaq s LEU 291 CO -0.08 0.15 -0.09 -0.13 1.01 0.00 0.00 176.35 177.20 3iaq s ARG 292 N 0.40 2.56 -0.15 1.70 0.52 -1.26 -0.60 118.95 122.12 3iaq s ARG 292 Ca 0.11 -1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 54.15 3iaq s ARG 292 Cb -0.12 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 3iaq s ARG 292 CO -0.00 -0.47 -0.08 -0.51 0.02 0.00 0.00 175.30 174.26 3iaq s LEU 293 N 1.22 2.98 0.09 2.53 1.43 0.47 -4.95 118.68 122.44 3iaq s LEU 293 Ca -0.04 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 3iaq s LEU 293 Cb -0.18 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3iaq s LEU 293 CO -0.05 0.16 0.97 0.20 0.23 0.00 0.00 176.35 177.85 3iaq s ASN 294 N 0.42 7.47 -0.20 2.29 0.01 -1.26 -0.62 114.94 123.05 3iaq s ASN 294 Ca -0.07 1.77 -0.02 0.00 -0.71 0.00 0.00 52.86 53.83 3iaq s ASN 294 Cb -0.15 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 38.98 3iaq s ASN 294 CO 0.04 -0.11 0.01 -0.69 -1.51 0.00 0.00 177.10 174.84 3iaq s VAL 295 N 0.21 0.74 0.21 1.60 1.01 -0.02 -4.83 120.40 119.31 3iaq s VAL 295 Ca 0.48 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3iaq s VAL 295 Cb -0.23 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.90 3iaq s VAL 295 CO 0.30 -0.15 0.90 -1.61 0.00 0.00 0.00 175.10 174.54 3iaq s GLU 296 N 1.76 4.77 -1.33 2.72 0.41 -1.26 -1.44 118.70 124.34 3iaq s GLU 296 Ca -0.02 1.40 -0.17 0.00 -0.41 0.00 0.00 54.97 55.78 3iaq s GLU 296 Cb -0.17 -3.29 0.02 0.00 -1.78 0.00 0.00 34.13 28.91 3iaq s GLU 296 CO -0.07 0.49 0.46 0.09 -0.49 0.00 0.00 175.26 175.74 3iaq n ASN 297 N 1.68 -2.19 -4.77 -0.19 3.02 0.18 -4.83 115.26 108.16 3iaq n ASN 297 Ca -0.02 -1.20 -0.40 0.00 -0.03 0.00 0.00 54.58 52.93 3iaq n ASN 297 Cb 0.48 -2.14 -0.02 0.00 -0.61 0.00 0.00 39.78 37.48 3iaq n ASN 297 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3iaq s PRO 298 N -7.06 4.26 -0.02 3.52 0.04 -1.26 -4.95 135.00 129.53 3iaq s PRO 298 Ca 0.27 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 3iaq s PRO 298 Cb -0.13 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 3iaq s PRO 298 CO 0.95 -0.18 1.67 0.15 0.04 0.00 0.00 177.00 179.63 3iaq s LYS 299 N -1.96 4.19 0.39 4.56 1.02 -1.26 -4.99 119.74 121.69 3iaq s LYS 299 Ca 0.52 2.25 -0.13 0.00 0.02 0.00 0.00 55.97 58.63 3iaq s LYS 299 Cb -0.35 -3.91 -0.08 0.00 -0.52 0.00 0.00 37.83 32.98 3iaq s LYS 299 CO 0.45 -0.82 0.79 -0.51 -0.92 0.00 0.00 175.35 174.33 3iaq s LEU 300 N 3.72 3.89 -0.12 3.17 1.43 -1.26 -4.44 118.68 125.06 3iaq s LEU 300 Ca 0.75 1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.02 3iaq s LEU 300 Cb -0.35 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 3iaq s LEU 300 CO 0.31 -0.35 0.13 0.86 0.23 0.00 0.00 176.35 177.52 3iaq s TRP 301 N -2.26 3.55 0.19 0.29 -0.00 0.45 -3.62 118.94 117.54 3iaq s TRP 301 Ca 0.53 0.48 -0.23 0.00 -0.00 0.00 0.00 56.10 56.89 3iaq s TRP 301 Cb -0.10 -1.94 0.05 0.00 -0.00 0.00 0.00 33.47 31.48 3iaq s TRP 301 CO 0.26 0.69 0.73 -1.54 -0.00 0.00 0.00 176.95 177.09 3iaq s SER 302 N -0.93 -0.37 0.54 5.86 1.04 -0.61 -4.69 113.70 114.54 3iaq s SER 302 Ca 0.14 -0.29 0.29 0.00 0.48 0.00 0.00 55.95 56.57 3iaq s SER 302 Cb -0.12 0.61 1.53 0.00 0.10 0.00 0.00 66.02 68.15 3iaq s SER 302 CO 0.03 -1.07 2.10 0.00 0.98 0.00 0.00 173.24 175.28 3iaq h ALA 303 N 2.00 1.26 0.24 5.32 0.00 -1.90 -1.88 119.26 124.30 3iaq h ALA 303 Ca -0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3iaq h ALA 303 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3iaq h ALA 303 CO 0.30 0.12 -0.12 0.93 0.00 0.00 0.00 179.25 180.48 3iaq h GLU 304 N 0.00 -0.31 -3.68 0.00 5.08 -1.93 -3.43 114.58 110.31 3iaq h GLU 304 Ca -0.00 0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 57.80 3iaq h GLU 304 Cb 0.30 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.23 3iaq h GLU 304 CO 0.01 0.05 -0.76 0.42 -1.00 0.00 0.00 179.01 177.74 3iaq s ILE 305 N -4.16 0.98 -1.50 3.13 1.01 -1.11 -5.01 121.20 114.53 3iaq s ILE 305 Ca -0.14 -1.39 -0.10 0.00 0.00 0.00 0.00 60.65 59.02 3iaq s ILE 305 Cb 0.01 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.79 3iaq s ILE 305 CO 0.52 -0.60 2.58 -0.81 0.00 0.00 0.00 174.94 176.62 3iaq n PRO 306 N 4.81 3.63 -1.83 2.79 -0.04 -0.72 -1.57 135.00 142.08 3iaq n PRO 306 Ca -0.03 -2.65 -0.42 0.00 -0.04 0.00 0.00 63.50 60.37 3iaq n PRO 306 Cb 0.43 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 30.95 3iaq n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3iaq s ASN 307 N 2.00 6.49 0.04 3.54 0.01 -1.24 -4.87 114.94 120.91 3iaq s ASN 307 Ca 0.58 2.72 0.06 0.00 -0.71 0.00 0.00 52.86 55.52 3iaq s ASN 307 Cb 0.16 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 3iaq s ASN 307 CO -0.07 -0.91 -0.16 -0.76 -1.51 0.00 0.00 177.10 173.69 3iaq s LEU 308 N 1.42 2.17 0.31 0.60 1.43 -1.26 -4.17 118.68 119.18 3iaq s LEU 308 Ca 0.73 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 3iaq s LEU 308 Cb -0.46 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3iaq s LEU 308 CO 0.32 0.08 0.04 -0.31 0.23 0.00 0.00 176.35 176.71 3iaq s TYR 309 N -0.83 2.64 -0.20 0.29 1.51 0.92 -4.76 117.35 116.92 3iaq s TYR 309 Ca 0.04 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 3iaq s TYR 309 Cb -0.08 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 3iaq s TYR 309 CO 0.01 0.48 -0.11 0.50 -1.11 0.00 0.00 175.55 175.33 3iaq s ARG 310 N -3.74 3.21 -0.28 -0.62 6.06 0.55 0.43 118.95 124.56 3iaq s ARG 310 Ca 0.34 -0.71 -0.09 0.00 -2.50 0.00 0.00 55.73 52.77 3iaq s ARG 310 Cb -0.03 -2.82 -0.03 0.00 0.06 0.00 0.00 34.95 32.13 3iaq s ARG 310 CO 0.21 -0.20 0.12 0.00 -2.50 0.00 0.00 175.30 172.93 3iaq s ALA 311 N 1.38 3.28 -0.19 6.12 0.00 -0.71 -0.03 121.76 131.61 3iaq s ALA 311 Ca 0.05 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 3iaq s ALA 311 Cb -0.14 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 3iaq s ALA 311 CO -0.07 -0.64 0.13 0.08 0.00 0.00 0.00 175.76 175.26 3iaq s VAL 312 N 1.65 5.38 -0.37 0.00 1.01 -0.45 -2.33 120.40 125.28 3iaq s VAL 312 Ca 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 3iaq s VAL 312 Cb -0.16 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.86 3iaq s VAL 312 CO 0.06 0.45 0.14 -0.69 0.00 0.00 0.00 175.10 175.06 3iaq s VAL 313 N 0.26 3.35 -0.31 2.92 1.01 0.33 -1.81 120.40 126.15 3iaq s VAL 313 Ca 0.08 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 3iaq s VAL 313 Cb -0.11 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3iaq s VAL 313 CO -0.01 -0.45 0.22 -1.61 0.00 0.00 0.00 175.10 173.25 3iaq s GLU 314 N 1.23 3.74 -0.22 2.72 2.02 0.22 -1.73 118.70 126.68 3iaq s GLU 314 Ca 0.03 -0.46 -0.18 0.00 0.02 0.00 0.00 54.97 54.37 3iaq s GLU 314 Cb -0.22 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 3iaq s GLU 314 CO -0.02 -0.30 0.53 -1.17 0.02 0.00 0.00 175.26 174.32 3iaq s LEU 315 N 1.75 4.12 0.15 1.80 2.96 -0.44 -0.89 118.68 128.13 3iaq s LEU 315 Ca 0.07 0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 54.47 3iaq s LEU 315 Cb -0.17 -2.71 0.03 0.00 0.50 0.00 0.00 46.19 43.84 3iaq s LEU 315 CO 0.11 -0.22 0.42 -1.38 -1.32 0.00 0.00 176.35 173.95 3iaq s HIS 316 N 1.87 -0.08 0.44 5.38 -3.43 -0.73 -0.97 115.29 117.77 3iaq s HIS 316 Ca 0.24 -0.25 -0.23 0.00 -0.80 0.00 0.00 55.06 54.01 3iaq s HIS 316 Cb -0.15 0.25 -0.08 0.00 -1.43 0.00 0.00 32.58 31.17 3iaq s HIS 316 CO 0.09 -0.77 1.14 0.95 -2.00 0.00 0.00 174.74 174.15 3iaq s THR 317 N -3.85 3.26 0.37 -5.38 -4.23 -0.57 0.15 115.64 105.39 3iaq s THR 317 Ca 0.07 0.95 0.14 0.00 -1.18 0.00 0.00 61.69 61.67 3iaq s THR 317 Cb 0.01 -3.48 0.35 0.00 1.34 0.00 0.00 72.50 70.72 3iaq s THR 317 CO -0.07 -0.01 1.79 0.00 -0.54 0.00 0.00 174.62 175.79 3iaq h ALA 318 N 2.16 2.02 0.00 3.99 0.00 -0.34 -1.40 119.26 125.69 3iaq h ALA 318 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3iaq h ALA 318 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iaq h ALA 318 CO 0.61 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 3iaq n ASP 319 N -4.66 0.00 -0.01 0.00 8.00 -1.26 -4.87 116.55 113.76 3iaq n ASP 319 Ca 0.23 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.99 3iaq n ASP 319 Cb 0.73 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 3iaq n ASP 319 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iaq n GLY 320 N 0.76 1.08 3.24 0.44 0.00 -0.53 -5.08 105.19 105.10 3iaq n GLY 320 Ca 0.19 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3iaq n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iaq s THR 321 N -2.02 3.89 -0.11 2.61 2.01 -1.24 -4.96 115.64 115.83 3iaq s THR 321 Ca 0.00 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 60.26 3iaq s THR 321 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3iaq s THR 321 CO 0.00 -0.43 1.62 -0.22 -0.69 0.00 0.00 174.62 174.90 3iaq s LEU 322 N 1.36 4.19 -0.16 4.42 2.96 -1.26 -1.52 118.68 128.68 3iaq s LEU 322 Ca 0.02 2.04 -0.26 0.00 -0.22 0.00 0.00 54.13 55.71 3iaq s LEU 322 Cb -0.22 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.70 3iaq s LEU 322 CO 0.01 -1.01 0.59 0.40 -1.32 0.00 0.00 176.35 175.02 3iaq h ILE 323 N 5.73 1.50 -2.61 6.68 2.04 -1.42 -3.49 117.51 125.94 3iaq h ILE 323 Ca -0.37 -2.26 0.05 0.00 1.00 0.00 0.00 64.86 63.29 3iaq h ILE 323 Cb 1.17 2.97 -0.13 0.00 -0.74 0.00 0.00 36.82 40.08 3iaq h ILE 323 CO 0.97 0.51 0.36 -1.83 0.00 0.00 0.00 178.15 178.16 3iaq s GLU 324 N -2.24 1.05 -0.05 2.37 -1.05 -1.07 -4.89 118.70 112.83 3iaq s GLU 324 Ca -0.21 -0.40 0.01 0.00 -0.15 0.00 0.00 54.97 54.22 3iaq s GLU 324 Cb -0.01 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 3iaq s GLU 324 CO 0.64 -0.46 -0.05 0.00 0.95 0.00 0.00 175.26 176.34 3iaq s ALA 325 N -3.42 0.73 0.40 -0.84 0.00 0.14 -1.32 121.76 117.45 3iaq s ALA 325 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 51.98 3iaq s ALA 325 Cb -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3iaq s ALA 325 CO -0.10 -0.01 0.22 -1.21 0.00 0.00 0.00 175.76 174.66 3iaq s GLU 326 N 0.91 2.32 0.17 0.00 0.41 -0.71 -1.92 118.70 119.89 3iaq s GLU 326 Ca -0.11 -1.72 -0.24 0.00 -0.41 0.00 0.00 54.97 52.49 3iaq s GLU 326 Cb -0.14 -2.11 0.06 0.00 -1.78 0.00 0.00 34.13 30.16 3iaq s GLU 326 CO 0.00 -0.10 0.70 0.00 -0.49 0.00 0.00 175.26 175.38 3iaq s ALA 327 N -2.54 -1.54 0.17 5.21 0.00 -1.26 -0.51 121.76 121.29 3iaq s ALA 327 Ca 0.42 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 3iaq s ALA 327 Cb 0.01 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.98 3iaq s ALA 327 CO 0.24 -0.85 0.60 0.00 0.00 0.00 0.00 175.76 175.74 3iaq s ASP 329 N -2.77 7.30 -0.12 0.00 1.01 -1.26 -1.74 116.67 119.09 3iaq s ASP 329 Ca 0.02 1.76 -0.02 0.00 0.71 0.00 0.00 52.55 55.02 3iaq s ASP 329 Cb -0.01 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3iaq s ASP 329 CO -0.11 -0.31 -0.04 -0.69 0.21 0.00 0.00 175.17 174.23 3iaq s VAL 330 N 0.97 3.90 -0.29 -1.27 1.01 0.17 -4.64 120.40 120.25 3iaq s VAL 330 Ca 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3iaq s VAL 330 Cb -0.23 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.53 3iaq s VAL 330 CO 0.28 0.54 -0.03 -0.83 0.00 0.00 0.00 175.10 175.07 3iaq s GLY 331 N -0.18 1.72 -0.54 4.51 0.00 -1.26 -0.06 107.32 111.52 3iaq s GLY 331 Ca 0.03 -1.73 -0.27 0.00 0.00 0.00 0.00 44.72 42.76 3iaq s GLY 331 CO 0.02 0.66 1.82 -1.36 0.00 0.00 0.00 173.10 174.24 3iaq s PHE 332 N 1.24 1.74 0.08 1.90 0.40 -1.26 -4.80 117.98 117.27 3iaq s PHE 332 Ca -0.05 0.75 -0.22 0.00 -0.60 0.00 0.00 56.93 56.81 3iaq s PHE 332 Cb -0.19 -4.11 0.05 0.00 0.51 0.00 0.00 43.02 39.28 3iaq s PHE 332 CO -0.02 -2.42 0.52 -0.98 0.70 0.00 0.00 175.22 173.02 3iaq s ARG 333 N 6.62 1.09 -0.09 0.44 3.03 -1.26 -0.41 118.95 128.38 3iaq s ARG 333 Ca 0.69 -0.34 0.02 0.00 2.03 0.00 0.00 55.73 58.14 3iaq s ARG 333 Cb -0.15 0.50 0.01 0.00 -1.03 0.00 0.00 34.95 34.28 3iaq s ARG 333 CO 0.24 -0.42 -0.16 -2.00 -1.13 0.00 0.00 175.30 171.84 3iaq s GLU 334 N -2.88 2.15 -0.17 3.89 2.12 -1.26 -4.85 118.70 117.69 3iaq s GLU 334 Ca -0.03 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 3iaq s GLU 334 Cb -0.00 -1.75 -0.01 0.00 0.26 0.00 0.00 34.13 32.63 3iaq s GLU 334 CO -0.05 0.03 -0.09 0.08 -0.54 0.00 0.00 175.26 174.68 3iaq s VAL 335 N 0.70 3.16 -0.01 3.70 1.01 -1.26 -0.80 120.40 126.91 3iaq s VAL 335 Ca -0.13 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3iaq s VAL 335 Cb -0.16 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.88 3iaq s VAL 335 CO 0.03 0.48 0.41 0.00 0.00 0.00 0.00 175.10 176.02 3iaq s ARG 336 N 0.89 0.81 -0.30 2.72 1.70 -0.74 -4.63 118.95 119.40 3iaq s ARG 336 Ca -0.02 -0.15 -0.08 0.00 -0.47 0.00 0.00 55.73 55.00 3iaq s ARG 336 Cb -0.15 0.37 -0.00 0.00 -0.57 0.00 0.00 34.95 34.59 3iaq s ARG 336 CO 0.00 -0.25 0.12 0.42 -1.08 0.00 0.00 175.30 174.52 3iaq s ILE 337 N -1.60 4.35 -0.08 4.99 1.01 -1.26 -0.04 121.20 128.58 3iaq s ILE 337 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3iaq s ILE 337 Cb -0.03 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.24 3iaq s ILE 337 CO 0.04 0.08 -0.08 -0.70 0.00 0.00 0.00 174.94 174.28 3iaq s GLU 338 N 1.57 1.36 -1.67 2.79 2.12 -0.02 -4.78 118.70 120.07 3iaq s GLU 338 Ca 0.04 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.12 3iaq s GLU 338 Cb -0.17 -1.31 0.00 0.00 0.26 0.00 0.00 34.13 32.91 3iaq s GLU 338 CO 0.05 -0.12 0.00 -1.71 -0.54 0.00 0.00 175.26 172.93 3iaq n ASN 339 N 4.35 -5.61 0.00 -1.70 5.15 -1.26 -1.96 115.26 114.23 3iaq n ASN 339 Ca -0.19 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 3iaq n ASN 339 Cb 0.51 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 3iaq n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iaq n GLY 340 N -1.02 0.85 3.58 8.20 0.00 -1.26 -5.04 105.19 110.49 3iaq n GLY 340 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3iaq n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 341 N 0.00 3.15 -0.20 0.99 1.43 -0.83 -2.23 118.68 120.99 3iaq s LEU 341 Ca 0.00 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 3iaq s LEU 341 Cb 0.00 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 3iaq s LEU 341 CO 0.00 0.36 0.91 -0.22 0.23 0.00 0.00 176.35 177.63 3iaq s LEU 342 N -0.81 4.13 -0.09 1.79 2.96 -1.26 -0.84 118.68 124.56 3iaq s LEU 342 Ca 0.12 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 3iaq s LEU 342 Cb -0.11 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 3iaq s LEU 342 CO 0.01 -0.52 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.59 3iaq s LEU 343 N 2.67 2.53 -0.25 -0.68 1.43 0.95 -2.26 118.68 123.06 3iaq s LEU 343 Ca 0.40 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 3iaq s LEU 343 Cb -0.16 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3iaq s LEU 343 CO 0.09 0.22 -0.01 -0.22 0.23 0.00 0.00 176.35 176.66 3iaq s LEU 344 N 0.01 3.30 -1.47 1.79 2.96 -0.41 -1.79 118.68 123.07 3iaq s LEU 344 Ca -0.06 -0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 53.07 3iaq s LEU 344 Cb -0.15 -1.76 0.06 0.00 0.50 0.00 0.00 46.19 44.85 3iaq s LEU 344 CO 0.05 -0.11 1.05 0.59 -1.32 0.00 0.00 176.35 176.61 3iaq n ASN 345 N 4.77 -5.28 0.00 3.68 3.02 0.02 -2.16 115.26 119.31 3iaq n ASN 345 Ca -0.16 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3iaq n ASN 345 Cb 0.49 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 3iaq n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iaq n GLY 346 N -1.80 0.91 3.27 7.41 0.00 -1.26 -5.03 105.19 108.69 3iaq n GLY 346 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3iaq n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaq s LYS 347 N -0.14 2.86 -0.03 1.61 -0.14 -0.92 -5.03 119.74 117.95 3iaq s LYS 347 Ca 0.00 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 3iaq s LYS 347 Cb 0.00 -2.29 -0.06 0.00 -1.68 0.00 0.00 37.83 33.80 3iaq s LYS 347 CO 0.00 0.29 1.72 -1.25 -0.76 0.00 0.00 175.35 175.35 3iaq s PRO 348 N 0.08 4.17 0.60 -1.68 0.04 -1.26 -1.29 135.00 135.65 3iaq s PRO 348 Ca -0.10 2.28 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 3iaq s PRO 348 Cb -0.16 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 3iaq s PRO 348 CO 0.06 -0.87 1.10 -0.51 0.04 0.00 0.00 177.00 176.83 3iaq s LEU 349 N 4.11 3.56 -0.37 -3.56 1.43 -0.96 -4.95 118.68 117.93 3iaq s LEU 349 Ca 0.77 2.03 0.03 0.00 -1.03 0.00 0.00 54.13 55.92 3iaq s LEU 349 Cb -0.35 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.42 3iaq s LEU 349 CO 0.32 -1.36 0.12 -0.22 0.23 0.00 0.00 176.35 175.44 3iaq s LEU 350 N -4.35 3.89 -0.55 1.79 2.96 -1.26 -4.76 118.68 116.39 3iaq s LEU 350 Ca 0.68 -2.23 -0.27 0.00 -0.22 0.00 0.00 54.13 52.10 3iaq s LEU 350 Cb -0.21 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3iaq s LEU 350 CO 0.34 -0.35 1.79 -0.63 -1.32 0.00 0.00 176.35 176.18 3iaq s ILE 351 N 0.81 3.43 -1.13 6.68 -1.09 0.29 -4.90 121.20 125.30 3iaq s ILE 351 Ca 0.12 0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.73 3iaq s ILE 351 Cb -0.20 -3.95 0.21 0.00 -1.58 0.00 0.00 42.46 36.93 3iaq s ILE 351 CO -0.10 -0.85 1.26 -0.13 -1.23 0.00 0.00 174.94 173.89 3iaq s ARG 352 N 6.59 4.06 0.37 2.79 0.52 -1.26 -1.79 118.95 130.23 3iaq s ARG 352 Ca 0.67 -2.73 0.08 0.00 -0.52 0.00 0.00 55.73 53.24 3iaq s ARG 352 Cb -0.14 -4.84 -0.06 0.00 0.52 0.00 0.00 34.95 30.43 3iaq s ARG 352 CO 0.24 -1.56 0.06 0.20 0.02 0.00 0.00 175.30 174.26 3iaq s GLY 353 N 2.34 2.20 0.01 -3.53 0.00 -0.57 0.20 107.32 107.97 3iaq s GLY 353 Ca 0.36 -2.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 3iaq s GLY 353 CO -0.04 -1.93 0.01 0.54 0.00 0.00 0.00 173.10 171.68 3iaq s VAL 354 N -2.57 0.07 -0.04 1.40 0.11 -1.01 -1.22 120.40 117.15 3iaq s VAL 354 Ca 0.37 -0.56 -0.28 0.00 -2.93 0.00 0.00 61.98 58.57 3iaq s VAL 354 Cb 0.02 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3iaq s VAL 354 CO 0.20 -0.31 0.91 0.20 -3.33 0.00 0.00 175.10 172.77 3iaq s ASN 355 N -0.93 7.24 -0.15 3.54 0.01 0.13 -1.40 114.94 123.39 3iaq s ASN 355 Ca -0.10 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 53.56 3iaq s ASN 355 Cb -0.06 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.10 3iaq s ASN 355 CO -0.00 -0.25 -0.14 -0.60 -1.51 0.00 0.00 177.10 174.59 3iaq s ARG 356 N 1.12 2.30 0.23 -0.60 3.52 -0.83 -0.71 118.95 123.98 3iaq s ARG 356 Ca 0.47 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.39 3iaq s ARG 356 Cb -0.20 -2.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.99 3iaq s ARG 356 CO 0.24 -0.25 0.57 -1.01 -0.81 0.00 0.00 175.30 174.04 3iaq s HIS 357 N 1.48 3.43 -0.73 5.12 3.76 -1.26 -3.58 115.29 123.52 3iaq s HIS 357 Ca 0.05 0.92 -0.25 0.00 -0.15 0.00 0.00 55.06 55.63 3iaq s HIS 357 Cb -0.13 -2.30 0.04 0.00 1.11 0.00 0.00 32.58 31.31 3iaq s HIS 357 CO -0.11 0.26 1.19 -1.21 -0.85 0.00 0.00 174.74 174.02 3iaq s GLU 358 N -2.77 3.19 -0.01 1.40 2.02 -1.26 -4.90 118.70 116.37 3iaq s GLU 358 Ca 0.47 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.99 3iaq s GLU 358 Cb -0.11 -4.25 0.01 0.00 0.10 0.00 0.00 34.13 29.88 3iaq s GLU 358 CO 0.21 -2.04 0.01 -1.58 0.02 0.00 0.00 175.26 171.87 3iaq s HIS 359 N 5.15 0.04 -0.04 1.61 2.46 -1.26 -4.51 115.29 118.75 3iaq s HIS 359 Ca 0.31 0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.89 3iaq s HIS 359 Cb -0.10 -0.10 0.02 0.00 -0.13 0.00 0.00 32.58 32.26 3iaq s HIS 359 CO 0.12 -0.03 -0.05 -1.58 -2.47 0.00 0.00 174.74 170.73 3iaq s HIS 360 N 0.36 0.74 0.38 3.88 2.46 0.16 -4.99 115.29 118.27 3iaq s HIS 360 Ca -0.03 -0.20 0.08 0.00 0.47 0.00 0.00 55.06 55.38 3iaq s HIS 360 Cb -0.05 -0.63 0.81 0.00 -0.13 0.00 0.00 32.58 32.58 3iaq s HIS 360 CO -0.01 -0.17 1.97 -1.00 -2.47 0.00 0.00 174.74 173.06 3iaq h PRO 361 N 7.01 0.65 0.09 2.88 0.13 -1.77 0.87 132.00 141.86 3iaq h PRO 361 Ca -0.37 -0.04 -0.37 0.00 -0.87 0.00 0.00 66.00 64.35 3iaq h PRO 361 Cb 1.16 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3iaq h PRO 361 CO 0.48 0.43 -2.12 1.28 -0.23 0.00 0.00 178.00 177.84 3iaq n LEU 362 N -4.48 2.60 -0.26 1.56 4.77 -1.26 -2.20 117.00 117.72 3iaq n LEU 362 Ca 0.10 0.13 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 3iaq n LEU 362 Cb 0.25 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 3iaq n LEU 362 CO 0.34 0.85 0.14 1.41 -1.33 0.00 0.00 177.39 178.80 3iaq n HIS 363 N -3.39 0.00 0.00 -1.77 8.25 -1.19 -4.95 115.22 112.17 3iaq n HIS 363 Ca -0.35 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3iaq n HIS 363 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 3iaq n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iaq n GLY 364 N 1.41 1.66 0.75 -1.41 0.00 0.29 -3.49 105.19 104.41 3iaq n GLY 364 Ca 0.06 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.95 3iaq n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iaq n GLN 365 N 0.45 2.86 -2.74 1.61 6.02 -1.26 0.36 117.38 124.69 3iaq n GLN 365 Ca 0.00 -2.15 -0.42 0.00 -0.01 0.00 0.00 57.00 54.41 3iaq n GLN 365 Cb 0.00 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3iaq n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3iaq s VAL 366 N -1.04 4.76 0.03 5.09 1.01 -1.23 -4.88 120.40 124.14 3iaq s VAL 366 Ca 0.27 1.91 -0.09 0.00 0.00 0.00 0.00 61.98 64.07 3iaq s VAL 366 Cb 0.14 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3iaq s VAL 366 CO 0.18 -0.09 0.33 -0.04 0.00 0.00 0.00 175.10 175.48 3iaq s MET 367 N 2.69 3.68 0.16 2.72 -1.94 -1.26 -4.75 119.30 120.60 3iaq s MET 367 Ca 0.43 0.07 0.06 0.00 -1.71 0.00 0.00 55.69 54.54 3iaq s MET 367 Cb -0.16 -3.07 -0.04 0.00 2.01 0.00 0.00 34.83 33.57 3iaq s MET 367 CO 0.10 0.63 -0.12 0.16 -0.01 0.00 0.00 175.02 175.77 3iaq s ASP 368 N -1.62 2.10 0.10 3.03 -4.77 -1.26 -5.02 116.67 109.23 3iaq s ASP 368 Ca 0.29 -0.98 -0.26 0.00 -3.30 0.00 0.00 52.55 48.29 3iaq s ASP 368 Cb -0.14 -0.06 -0.11 0.00 -1.09 0.00 0.00 42.92 41.52 3iaq s ASP 368 CO 0.16 -0.25 1.67 -0.08 0.70 0.00 0.00 175.17 177.37 3iaq h GLU 369 N 2.81 -0.37 -0.51 2.11 4.81 -1.99 -1.45 114.58 119.99 3iaq h GLU 369 Ca -0.38 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3iaq h GLU 369 Cb 1.20 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.56 3iaq h GLU 369 CO 0.61 -0.24 -0.20 0.37 -0.73 0.00 0.00 179.01 178.81 3iaq h GLN 370 N -0.38 -0.08 -0.09 1.92 4.15 -1.99 0.80 115.11 119.44 3iaq h GLN 370 Ca 0.01 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3iaq h GLN 370 Cb 0.38 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 3iaq h GLN 370 CO -0.07 -0.06 0.05 1.15 -1.93 0.00 0.00 178.83 177.97 3iaq h THR 371 N -0.09 1.10 -0.93 2.39 2.02 -1.95 -1.27 112.91 114.18 3iaq h THR 371 Ca 0.24 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3iaq h THR 371 Cb 0.46 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 3iaq h THR 371 CO -0.57 0.09 0.60 0.24 0.37 0.00 0.00 175.52 176.25 3iaq h MET 372 N 0.03 1.06 -0.21 6.66 2.86 -0.42 -0.92 114.93 123.99 3iaq h MET 372 Ca 0.03 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3iaq h MET 372 Cb 0.10 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3iaq h MET 372 CO -0.00 0.70 -0.20 0.28 1.06 0.00 0.00 176.91 178.75 3iaq h VAL 373 N 1.09 1.32 -0.85 -2.22 2.07 -0.72 -2.66 116.25 114.29 3iaq h VAL 373 Ca 0.39 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3iaq h VAL 373 Cb 0.14 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3iaq h VAL 373 CO -0.14 0.42 0.52 -0.61 0.02 0.00 0.00 177.57 177.78 3iaq h GLN 374 N 0.20 0.93 -0.43 1.57 4.15 -0.63 0.13 115.11 121.02 3iaq h GLN 374 Ca 0.04 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3iaq h GLN 374 Cb 0.75 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 3iaq h GLN 374 CO 0.05 0.61 0.24 -0.44 -1.93 0.00 0.00 178.83 177.37 3iaq h ASP 375 N 0.95 0.54 -0.05 -0.69 3.32 -1.16 -1.87 116.42 117.46 3iaq h ASP 375 Ca 0.37 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.15 3iaq h ASP 375 Cb 0.17 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3iaq h ASP 375 CO -0.17 0.47 -0.62 0.40 -1.72 0.00 0.00 179.24 177.59 3iaq h ILE 376 N 0.57 1.31 0.05 0.35 2.04 -0.99 0.62 117.51 121.45 3iaq h ILE 376 Ca 0.15 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3iaq h ILE 376 Cb 0.04 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3iaq h ILE 376 CO -0.03 0.59 -0.05 -0.07 0.00 0.00 0.00 178.15 178.59 3iaq h LEU 377 N 0.49 -0.14 -0.63 1.44 3.38 -0.75 -2.14 115.31 116.96 3iaq h LEU 377 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iaq h LEU 377 Cb 1.21 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3iaq h LEU 377 CO 0.12 -0.08 0.19 -0.07 0.09 0.00 0.00 178.44 178.68 3iaq h LEU 378 N -0.12 0.93 0.42 1.67 3.38 -1.20 -0.50 115.31 119.89 3iaq h LEU 378 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3iaq h LEU 378 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iaq h LEU 378 CO -0.02 0.90 -0.20 0.24 0.09 0.00 0.00 178.44 179.44 3iaq h MET 379 N 0.91 -0.54 0.00 1.13 2.86 -0.83 -1.86 114.93 116.60 3iaq h MET 379 Ca 0.20 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 3iaq h MET 379 Cb 0.31 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3iaq h MET 379 CO -0.00 -0.32 -0.15 0.87 1.06 0.00 0.00 176.91 178.37 3iaq h LYS 380 N -0.64 0.00 0.00 1.72 1.57 -1.39 -1.20 116.57 116.63 3iaq h LYS 380 Ca -0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3iaq h LYS 380 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3iaq h LYS 380 CO 0.09 0.15 -0.13 1.96 -0.57 0.00 0.00 179.45 180.95 3iaq h GLN 381 N 0.00 0.00 -0.58 3.15 4.20 -0.80 -3.05 115.11 118.03 3iaq h GLN 381 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3iaq h GLN 381 Cb 0.27 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.87 3iaq h GLN 381 CO 0.02 0.13 0.17 0.09 -0.67 0.00 0.00 178.83 178.57 3iaq n ASN 382 N -3.30 2.90 -2.24 1.46 3.02 -0.52 -4.96 115.26 111.62 3iaq n ASN 382 Ca 0.00 -3.73 -0.19 0.00 -0.03 0.00 0.00 54.58 50.63 3iaq n ASN 382 Cb 0.36 -0.71 -0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3iaq n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iaq n ASN 383 N -1.13 -5.47 -4.81 6.41 3.02 -1.14 -3.99 115.26 108.15 3iaq n ASN 383 Ca 0.43 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.53 3iaq n ASN 383 Cb 1.26 -4.48 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 3iaq n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3iaq s PHE 384 N -2.97 3.79 0.00 3.10 0.08 -0.80 -4.81 117.98 116.38 3iaq s PHE 384 Ca 0.05 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.38 3iaq s PHE 384 Cb -0.02 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 3iaq s PHE 384 CO 0.06 0.57 0.58 0.27 -0.10 0.00 0.00 175.22 176.59 3iaq n ASN 385 N 1.61 1.08 -3.74 1.36 0.23 0.13 -4.19 115.26 111.74 3iaq n ASN 385 Ca -0.09 -1.29 -0.10 0.00 -0.53 0.00 0.00 54.58 52.56 3iaq n ASN 385 Cb 0.51 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 3iaq n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iaq s ALA 386 N -0.29 -0.64 -0.08 -2.53 0.00 -1.08 -1.17 121.76 115.96 3iaq s ALA 386 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 3iaq s ALA 386 Cb 0.00 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.63 3iaq s ALA 386 CO 0.00 -0.51 0.21 0.54 0.00 0.00 0.00 175.76 176.00 3iaq s VAL 387 N -3.32 -0.01 -0.20 0.00 0.11 -0.44 -2.40 120.40 114.14 3iaq s VAL 387 Ca 0.00 0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 3iaq s VAL 387 Cb 0.02 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3iaq s VAL 387 CO -0.08 0.02 0.08 -0.60 -3.33 0.00 0.00 175.10 171.19 3iaq s ARG 388 N 0.44 3.99 -1.26 1.54 3.52 -0.49 -1.70 118.95 124.99 3iaq s ARG 388 Ca -0.03 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.11 3iaq s ARG 388 Cb -0.04 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 3iaq s ARG 388 CO -0.02 0.21 2.34 0.00 -0.81 0.00 0.00 175.30 177.02 3iaq s SER 390 N 3.34 6.85 -0.49 0.00 1.04 -1.23 -0.91 113.70 122.29 3iaq s SER 390 Ca 0.54 1.14 0.08 0.00 0.48 0.00 0.00 55.95 58.19 3iaq s SER 390 Cb 0.14 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 64.00 3iaq s SER 390 CO -0.03 -0.94 0.68 1.41 0.98 0.00 0.00 173.24 175.34 3iaq n HIS 391 N 7.11 1.51 -3.57 5.02 -0.00 -1.26 -4.20 115.22 119.83 3iaq n HIS 391 Ca 0.13 -3.84 -0.06 0.00 -0.00 0.00 0.00 57.72 53.95 3iaq n HIS 391 Cb 0.47 -0.44 -0.02 0.00 -0.00 0.00 0.00 29.99 29.99 3iaq n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3iaq s TYR 392 N -2.07 -0.21 0.33 4.41 -0.85 -0.09 -4.36 117.35 114.52 3iaq s TYR 392 Ca 0.39 0.16 -0.29 0.00 -0.52 0.00 0.00 57.07 56.82 3iaq s TYR 392 Cb 0.21 0.51 -0.12 0.00 0.38 0.00 0.00 41.96 42.94 3iaq s TYR 392 CO -0.08 -0.30 1.36 -2.30 -1.52 0.00 0.00 175.55 172.71 3iaq n PRO 393 N -0.03 2.23 -2.47 -3.49 -0.02 -0.88 -4.53 135.00 125.81 3iaq n PRO 393 Ca -0.03 0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 3iaq n PRO 393 Cb 0.59 -2.41 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 3iaq n PRO 393 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3iaq s ASN 394 N -0.13 3.94 0.28 2.55 -0.87 -1.26 -4.80 114.94 114.65 3iaq s ASN 394 Ca 0.58 -0.33 -0.30 0.00 -1.57 0.00 0.00 52.86 51.24 3iaq s ASN 394 Cb -0.56 0.10 -0.12 0.00 -0.02 0.00 0.00 41.25 40.64 3iaq s ASN 394 CO 0.60 -2.15 1.47 1.57 -2.57 0.00 0.00 177.10 176.01 3iaq n HIS 395 N -3.09 2.48 -0.26 2.20 -0.00 -1.26 -4.90 115.22 110.39 3iaq n HIS 395 Ca 0.16 0.38 0.18 0.00 0.46 0.00 0.00 57.72 58.91 3iaq n HIS 395 Cb 0.60 -2.51 0.48 0.00 -0.12 0.00 0.00 29.99 28.45 3iaq n HIS 395 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3iaq h PRO 396 N 4.16 0.45 0.00 1.57 0.13 -1.96 -1.89 132.00 134.46 3iaq h PRO 396 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3iaq h PRO 396 Cb 1.26 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3iaq h PRO 396 CO 0.75 0.30 -0.07 1.25 -0.23 0.00 0.00 178.00 179.99 3iaq h LEU 397 N 0.46 0.00 -0.33 1.56 5.85 -2.01 -3.04 115.31 117.80 3iaq h LEU 397 Ca 0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.19 3iaq h LEU 397 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3iaq h LEU 397 CO -0.21 0.07 0.12 -0.25 -0.34 0.00 0.00 178.44 177.83 3iaq h TRP 398 N 0.00 0.52 -0.47 1.25 2.91 -1.71 -1.97 115.95 116.49 3iaq h TRP 398 Ca -0.00 -0.05 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 3iaq h TRP 398 Cb 0.38 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 3iaq h TRP 398 CO 0.00 0.50 -0.02 1.88 -1.03 0.00 0.00 178.44 179.77 3iaq h TYR 399 N 0.38 0.84 -0.41 2.65 -1.99 -1.69 -1.20 116.97 115.55 3iaq h TYR 399 Ca 0.11 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 3iaq h TYR 399 Cb 0.22 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 3iaq h TYR 399 CO 0.00 0.78 0.17 1.15 -0.00 0.00 0.00 178.16 180.27 3iaq h THR 400 N 0.73 1.19 -0.38 -2.88 2.02 -1.59 -1.56 112.91 110.44 3iaq h THR 400 Ca 0.14 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3iaq h THR 400 Cb 0.47 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3iaq h THR 400 CO 0.02 0.21 0.13 -0.07 0.37 0.00 0.00 175.52 176.18 3iaq h LEU 401 N 0.53 0.54 -1.06 2.58 3.38 -0.95 -2.18 115.31 118.15 3iaq h LEU 401 Ca 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3iaq h LEU 401 Cb 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3iaq h LEU 401 CO -0.01 0.59 0.50 0.00 0.09 0.00 0.00 178.44 179.61 3iaq h ASP 403 N 1.17 0.38 0.07 0.00 3.32 -1.01 -1.11 116.42 119.23 3iaq h ASP 403 Ca 0.30 0.08 -0.25 0.00 0.02 0.00 0.00 57.03 57.18 3iaq h ASP 403 Cb -0.03 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3iaq h ASP 403 CO -0.06 0.20 -1.31 0.03 -1.72 0.00 0.00 179.24 176.39 3iaq h ARG 404 N 0.53 0.15 0.16 3.56 3.08 -0.67 -3.39 114.38 117.80 3iaq h ARG 404 Ca 0.36 -0.25 -0.28 0.00 0.07 0.00 0.00 59.98 59.87 3iaq h ARG 404 Cb 0.44 0.09 0.03 0.00 0.08 0.00 0.00 29.97 30.62 3iaq h ARG 404 CO -0.31 1.12 -1.21 1.88 -1.07 0.00 0.00 179.97 180.38 3iaq h TYR 405 N -0.54 0.91 0.00 3.04 0.05 -0.71 -3.45 116.97 116.28 3iaq h TYR 405 Ca -0.30 -0.61 0.00 0.00 0.05 0.00 0.00 58.73 57.86 3iaq h TYR 405 Cb 1.58 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.26 3iaq h TYR 405 CO 0.13 1.46 0.00 0.41 -1.05 0.00 0.00 178.16 179.11 3iaq n GLY 406 N 1.51 0.99 3.19 3.88 0.00 -0.46 -4.74 105.19 109.56 3iaq n GLY 406 Ca -0.15 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 3iaq n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 407 N 0.00 0.01 0.03 0.99 1.43 -0.94 -4.66 118.68 115.54 3iaq s LEU 407 Ca 0.00 0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 3iaq s LEU 407 Cb 0.00 1.13 -0.07 0.00 0.03 0.00 0.00 46.19 47.28 3iaq s LEU 407 CO 0.00 -0.19 1.51 -0.31 0.23 0.00 0.00 176.35 177.59 3iaq s TYR 408 N 1.49 2.66 -0.12 0.29 2.02 -0.32 -4.72 117.35 118.65 3iaq s TYR 408 Ca -0.08 0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 57.19 3iaq s TYR 408 Cb -0.09 -3.79 -0.03 0.00 -0.40 0.00 0.00 41.96 37.64 3iaq s TYR 408 CO -0.11 -3.06 -0.04 0.08 -1.57 0.00 0.00 175.55 170.85 3iaq s VAL 409 N 2.53 3.95 -0.43 0.71 1.01 0.17 -1.33 120.40 127.01 3iaq s VAL 409 Ca 0.68 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 3iaq s VAL 409 Cb -0.35 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3iaq s VAL 409 CO 0.29 0.54 0.39 -0.69 0.00 0.00 0.00 175.10 175.63 3iaq s VAL 410 N -0.16 5.17 -0.18 2.92 1.01 -0.69 -1.29 120.40 127.18 3iaq s VAL 410 Ca 0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 3iaq s VAL 410 Cb -0.13 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3iaq s VAL 410 CO 0.02 -0.44 0.46 -0.62 0.00 0.00 0.00 175.10 174.53 3iaq s ASP 411 N 2.00 6.54 -0.10 3.32 2.15 -0.46 -1.21 116.67 128.91 3iaq s ASP 411 Ca 0.08 0.64 0.03 0.00 0.43 0.00 0.00 52.55 53.73 3iaq s ASP 411 Cb -0.20 -2.27 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 3iaq s ASP 411 CO 0.11 -0.10 -0.19 -0.70 -0.17 0.00 0.00 175.17 174.11 3iaq s GLU 412 N 1.30 2.57 0.66 4.34 2.12 -1.26 -0.23 118.70 128.21 3iaq s GLU 412 Ca 0.23 -0.71 -0.17 0.00 0.36 0.00 0.00 54.97 54.68 3iaq s GLU 412 Cb -0.15 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 3iaq s GLU 412 CO 0.09 0.06 1.14 0.00 -0.54 0.00 0.00 175.26 176.01 3iaq n ALA 413 N 3.83 0.55 -1.97 6.30 0.00 -0.04 -2.08 120.51 127.11 3iaq n ALA 413 Ca -0.20 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3iaq n ALA 413 Cb 0.52 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.75 3iaq n ALA 413 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iaq n ASN 414 N -1.67 5.03 -3.72 0.00 5.15 -1.26 -4.02 115.26 114.77 3iaq n ASN 414 Ca 0.15 -2.95 -0.29 0.00 -0.60 0.00 0.00 54.58 50.88 3iaq n ASN 414 Cb 0.48 -1.56 -0.16 0.00 -0.53 0.00 0.00 39.78 38.02 3iaq n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3iaq s ILE 415 N 1.65 0.65 -0.09 -1.44 1.01 -1.25 -4.77 121.20 116.96 3iaq s ILE 415 Ca 0.46 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 3iaq s ILE 415 Cb 0.13 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.27 3iaq s ILE 415 CO -0.05 -0.50 0.01 -0.69 0.00 0.00 0.00 174.94 173.71 3iaq s VAL 416 N 1.76 0.40 -0.32 2.92 1.01 0.89 -1.71 120.40 125.35 3iaq s VAL 416 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.14 3iaq s VAL 416 Cb -0.17 -0.62 0.46 0.00 0.00 0.00 0.00 36.38 36.05 3iaq s VAL 416 CO -0.20 0.19 1.16 0.35 0.00 0.00 0.00 175.10 176.59 3iaq n THR 417 N 5.13 2.29 -0.02 3.92 -2.24 -1.11 -1.73 114.28 120.52 3iaq n THR 417 Ca -0.07 -4.16 0.12 0.00 -2.27 0.00 0.00 64.05 57.67 3iaq n THR 417 Cb 0.50 -0.80 0.55 0.00 -2.10 0.00 0.00 70.33 68.47 3iaq n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3iaq h HIS 418 N 2.34 0.31 -0.43 4.78 2.76 -1.59 -2.57 115.15 120.74 3iaq h HIS 418 Ca 0.28 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3iaq h HIS 418 Cb 1.37 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.23 3iaq h HIS 418 CO 0.79 0.15 0.00 0.41 -1.30 0.00 0.00 177.93 177.98 3iaq n GLY 419 N -1.54 1.04 3.83 5.26 0.00 -1.21 -4.86 105.19 107.71 3iaq n GLY 419 Ca 0.08 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3iaq n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iaq s MET 420 N -1.43 3.74 -0.26 1.61 1.00 -0.97 -4.75 119.30 118.24 3iaq s MET 420 Ca 0.29 1.03 -0.01 0.00 0.00 0.00 0.00 55.69 57.00 3iaq s MET 420 Cb 0.15 -2.10 0.08 0.00 0.00 0.00 0.00 34.83 32.96 3iaq s MET 420 CO 0.19 -0.45 0.05 0.08 0.00 0.00 0.00 175.02 174.89 3iaq s VAL 421 N -2.59 0.97 1.05 -6.03 1.01 -1.26 -3.21 120.40 110.35 3iaq s VAL 421 Ca 0.60 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3iaq s VAL 421 Cb -0.12 -1.56 0.23 0.00 0.00 0.00 0.00 36.38 34.93 3iaq s VAL 421 CO 0.34 -0.42 1.22 -2.16 0.00 0.00 0.00 175.10 174.08 3iaq s PRO 422 N 1.61 -0.03 0.57 2.72 0.04 -1.26 -4.91 135.00 133.74 3iaq s PRO 422 Ca 0.03 -0.21 0.34 0.00 0.04 0.00 0.00 61.00 61.20 3iaq s PRO 422 Cb -0.18 -1.75 1.74 0.00 0.04 0.00 0.00 34.50 34.35 3iaq s PRO 422 CO -0.16 -2.89 2.16 1.98 0.04 0.00 0.00 177.00 178.13 3iaq h MET 423 N -1.99 0.00 -0.49 4.56 4.05 -1.87 -2.58 114.93 116.61 3iaq h MET 423 Ca -0.45 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.91 3iaq h MET 423 Cb 1.27 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.04 3iaq h MET 423 CO 0.39 0.05 0.05 0.27 0.23 0.00 0.00 176.91 177.91 3iaq n ASN 424 N -3.40 4.78 -0.15 1.39 6.94 -1.25 -3.66 115.26 119.91 3iaq n ASN 424 Ca -0.02 -3.07 -0.00 0.00 -0.02 0.00 0.00 54.58 51.47 3iaq n ASN 424 Cb 0.19 -0.65 0.25 0.00 -2.36 0.00 0.00 39.78 37.21 3iaq n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3iaq h ARG 425 N 2.83 0.86 0.16 -3.83 2.43 -1.76 0.10 114.38 115.17 3iaq h ARG 425 Ca 0.07 -0.10 -0.33 0.00 -0.81 0.00 0.00 59.98 58.81 3iaq h ARG 425 Cb 1.86 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 3iaq h ARG 425 CO 0.45 0.64 -1.65 -0.07 -1.51 0.00 0.00 179.97 177.83 3iaq h LEU 426 N 0.87 0.52 -0.45 3.80 3.38 -1.86 -3.32 115.31 118.25 3iaq h LEU 426 Ca 0.22 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3iaq h LEU 426 Cb 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iaq h LEU 426 CO -0.03 1.74 0.00 0.71 0.09 0.00 0.00 178.44 180.94 3iaq h THR 427 N -0.04 0.00 0.00 0.22 1.35 -1.79 -0.72 112.91 111.93 3iaq h THR 427 Ca -0.34 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3iaq h THR 427 Cb 1.97 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 3iaq h THR 427 CO 0.13 0.00 -0.71 -0.67 -0.25 0.00 0.00 175.52 174.02 3iaq n ASP 428 N -2.31 0.61 -4.61 5.36 2.03 0.00 -1.73 116.55 115.92 3iaq n ASP 428 Ca 0.03 -0.20 -0.42 0.00 0.52 0.00 0.00 54.79 54.72 3iaq n ASP 428 Cb 0.32 0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 41.10 3iaq n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3iaq s ASP 429 N -3.55 6.65 0.55 1.67 -1.08 -0.28 -4.57 116.67 116.06 3iaq s ASP 429 Ca 0.08 0.63 0.36 0.00 -0.52 0.00 0.00 52.55 53.09 3iaq s ASP 429 Cb 0.16 -2.41 1.76 0.00 -1.46 0.00 0.00 42.92 40.97 3iaq s ASP 429 CO 0.74 -0.64 2.09 1.55 0.52 0.00 0.00 175.17 179.44 3iaq h PRO 430 N 8.17 0.00 0.00 4.34 0.13 -1.89 -0.97 132.00 141.77 3iaq h PRO 430 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3iaq h PRO 430 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3iaq h PRO 430 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 3iaq h ARG 431 N 0.00 0.00 -0.30 0.86 3.08 -1.91 -2.90 114.38 113.20 3iaq h ARG 431 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iaq h ARG 431 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3iaq h ARG 431 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3iaq n TRP 432 N -2.42 0.38 -0.09 3.04 7.02 -0.37 -4.52 117.44 120.49 3iaq n TRP 432 Ca 0.03 -0.20 -0.11 0.00 -1.02 0.00 0.00 57.50 56.20 3iaq n TRP 432 Cb 0.35 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.19 3iaq n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3iaq h LEU 433 N 4.39 0.44 -0.24 -0.99 5.85 -1.52 -2.67 115.31 120.57 3iaq h LEU 433 Ca 0.00 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.47 3iaq h LEU 433 Cb 0.97 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 3iaq h LEU 433 CO 0.00 0.64 -0.17 -0.65 -0.34 0.00 0.00 178.44 177.92 3iaq h PRO 434 N 0.23 -0.16 -0.85 5.25 0.11 -1.79 0.54 132.00 135.32 3iaq h PRO 434 Ca 0.07 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 3iaq h PRO 434 Cb 0.42 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 3iaq h PRO 434 CO 0.01 -0.11 0.51 0.00 -0.21 0.00 0.00 178.00 178.21 3iaq h ALA 435 N 0.97 1.30 -0.24 -0.75 0.00 -1.75 -2.98 119.26 115.81 3iaq h ALA 435 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3iaq h ALA 435 Cb 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iaq h ALA 435 CO -0.34 0.60 -0.18 0.52 0.00 0.00 0.00 179.25 179.85 3iaq h MET 436 N 1.18 0.55 -0.99 0.00 2.86 -1.09 -3.26 114.93 114.17 3iaq h MET 436 Ca 0.31 -0.27 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3iaq h MET 436 Cb -0.05 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 3iaq h MET 436 CO -0.06 0.85 0.64 0.66 1.06 0.00 0.00 176.91 180.06 3iaq h SER 437 N 0.26 1.03 0.22 1.22 4.64 -0.75 -1.54 113.55 118.63 3iaq h SER 437 Ca 0.05 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 3iaq h SER 437 Cb 0.72 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3iaq h SER 437 CO 0.05 0.67 -0.28 -0.33 -0.87 0.00 0.00 176.83 176.06 3iaq h GLU 438 N 1.17 0.11 0.00 4.77 5.08 -1.59 0.68 114.58 124.80 3iaq h GLU 438 Ca 0.42 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 3iaq h GLU 438 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3iaq h GLU 438 CO -0.16 0.39 -0.21 0.00 -1.00 0.00 0.00 179.01 178.02 3iaq h ARG 439 N 0.10 0.00 0.00 2.33 3.08 -1.33 -2.35 114.38 116.21 3iaq h ARG 439 Ca 0.01 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.77 3iaq h ARG 439 Cb 0.56 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 3iaq h ARG 439 CO 0.04 0.21 -1.62 0.28 -1.07 0.00 0.00 179.97 177.81 3iaq n VAL 440 N -3.38 1.54 0.08 2.04 0.31 -0.63 -4.01 118.33 114.28 3iaq n VAL 440 Ca 0.00 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 3iaq n VAL 440 Cb 0.42 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 3iaq n VAL 440 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3iaq h THR 441 N -0.97 0.99 0.00 2.52 1.35 0.25 -2.09 112.91 114.97 3iaq h THR 441 Ca -0.45 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 3iaq h THR 441 Cb 1.41 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3iaq h THR 441 CO -0.26 0.13 -0.06 0.03 -0.25 0.00 0.00 175.52 175.11 3iaq h ARG 442 N -0.44 0.00 0.30 4.72 3.08 -1.62 0.19 114.38 120.60 3iaq h ARG 442 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3iaq h ARG 442 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3iaq h ARG 442 CO 0.03 0.06 -0.14 1.98 -1.07 0.00 0.00 179.97 180.83 3iaq h MET 443 N 0.00 -0.39 -0.44 0.04 4.05 -1.65 -2.87 114.93 113.67 3iaq h MET 443 Ca -0.00 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3iaq h MET 443 Cb 0.34 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 3iaq h MET 443 CO 0.01 -0.05 0.19 0.28 0.23 0.00 0.00 176.91 177.56 3iaq h VAL 444 N -0.82 0.92 -0.19 -5.77 2.07 -0.65 -1.38 116.25 110.43 3iaq h VAL 444 Ca -0.04 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3iaq h VAL 444 Cb 0.51 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3iaq h VAL 444 CO 0.07 0.07 0.13 1.56 0.02 0.00 0.00 177.57 179.42 3iaq h GLN 445 N 0.38 0.18 0.20 1.57 4.20 -1.09 -1.27 115.11 119.28 3iaq h GLN 445 Ca 0.20 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.60 3iaq h GLN 445 Cb 0.15 -0.04 0.03 0.00 0.30 0.00 0.00 27.48 27.91 3iaq h GLN 445 CO -0.17 0.12 -1.35 -0.09 -0.67 0.00 0.00 178.83 176.67 3iaq h ARG 446 N 0.18 0.43 -0.01 1.46 2.43 -1.06 -2.91 114.38 114.90 3iaq h ARG 446 Ca 0.08 -0.74 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3iaq h ARG 446 Cb 0.10 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3iaq h ARG 446 CO -0.01 1.35 -0.24 -0.25 -1.51 0.00 0.00 179.97 179.30 3iaq n ASP 447 N -3.82 1.21 0.24 -3.80 8.00 -0.61 -4.24 116.55 113.51 3iaq n ASP 447 Ca -0.18 -1.10 0.15 0.00 0.71 0.00 0.00 54.79 54.36 3iaq n ASP 447 Cb 1.01 0.51 0.81 0.00 -0.02 0.00 0.00 41.12 43.43 3iaq n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3iaq h ARG 448 N 1.11 0.00 0.00 -1.24 0.11 -1.46 -1.03 114.38 111.88 3iaq h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iaq h ARG 448 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 3iaq h ARG 448 CO 0.00 0.00 -0.52 0.09 0.10 0.00 0.00 179.97 179.64 3iaq n ASN 449 N -2.58 0.63 -4.67 0.08 3.02 -1.26 -4.86 115.26 105.62 3iaq n ASN 449 Ca -0.02 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 3iaq n ASN 449 Cb 0.10 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3iaq n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3iaq s HIS 450 N -3.12 2.91 0.39 3.10 3.76 -0.39 -4.85 115.29 117.08 3iaq s HIS 450 Ca 0.08 1.00 0.08 0.00 -0.15 0.00 0.00 55.06 56.07 3iaq s HIS 450 Cb 0.14 -3.52 0.78 0.00 1.11 0.00 0.00 32.58 31.09 3iaq s HIS 450 CO 0.70 -1.79 1.95 -1.00 -0.85 0.00 0.00 174.74 173.74 3iaq h PRO 451 N 7.99 0.37 -0.19 8.40 0.13 -1.87 -3.11 132.00 143.72 3iaq h PRO 451 Ca -0.31 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 3iaq h PRO 451 Cb 1.14 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3iaq h PRO 451 CO 0.93 0.40 -0.09 0.66 -0.23 0.00 0.00 178.00 179.67 3iaq h SER 452 N 0.36 0.28 -2.87 1.44 4.64 -1.86 -3.40 113.55 112.14 3iaq h SER 452 Ca 0.08 -0.05 -0.56 0.00 -0.47 0.00 0.00 61.79 60.79 3iaq h SER 452 Cb 0.25 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3iaq h SER 452 CO 0.01 0.41 1.02 -0.69 -0.87 0.00 0.00 176.83 176.70 3iaq s VAL 453 N -4.80 3.96 -0.02 0.95 1.01 -1.18 0.44 120.40 120.76 3iaq s VAL 453 Ca -0.06 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.09 3iaq s VAL 453 Cb 0.15 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 3iaq s VAL 453 CO 0.74 -0.25 0.08 2.30 0.00 0.00 0.00 175.10 177.97 3iaq n ILE 454 N 5.88 0.13 -4.19 2.22 -5.35 -0.41 -4.89 119.36 112.75 3iaq n ILE 454 Ca 0.16 -0.16 -0.18 0.00 -0.27 0.00 0.00 62.75 62.30 3iaq n ILE 454 Cb 0.45 -0.08 -0.15 0.00 -1.74 0.00 0.00 39.64 38.12 3iaq n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3iaq s ILE 455 N -2.29 0.51 0.11 7.28 1.01 -1.18 -3.93 121.20 122.71 3iaq s ILE 455 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3iaq s ILE 455 Cb 0.03 -0.48 -0.06 0.00 0.01 0.00 0.00 42.46 41.96 3iaq s ILE 455 CO 0.22 0.18 0.43 0.26 0.00 0.00 0.00 174.94 176.03 3iaq s TRP 456 N 0.38 3.56 -0.02 3.97 0.52 -0.67 -1.35 118.94 125.32 3iaq s TRP 456 Ca -0.05 0.80 0.04 0.00 0.02 0.00 0.00 56.10 56.92 3iaq s TRP 456 Cb -0.09 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 3iaq s TRP 456 CO -0.00 0.48 -0.16 0.45 0.02 0.00 0.00 176.95 177.74 3iaq s SER 457 N -1.88 1.91 0.00 2.95 0.15 0.68 -0.65 113.70 116.86 3iaq s SER 457 Ca 0.36 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.79 3iaq s SER 457 Cb -0.14 -0.35 0.43 0.00 -1.71 0.00 0.00 66.02 64.25 3iaq s SER 457 CO 0.19 0.17 1.28 0.18 1.20 0.00 0.00 173.24 176.26 3iaq n LEU 458 N 2.90 0.24 0.00 3.45 4.77 -1.01 -0.86 117.00 126.49 3iaq n LEU 458 Ca -0.16 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3iaq n LEU 458 Cb 0.54 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3iaq n LEU 458 CO 0.24 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3iaq n GLY 459 N 0.67 0.56 3.37 -0.72 0.00 -1.26 -4.67 105.19 103.15 3iaq n GLY 459 Ca 0.06 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 3iaq n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iaq s ASN 460 N -4.00 -0.56 -0.86 1.61 2.47 -0.69 -4.73 114.94 108.19 3iaq s ASN 460 Ca 0.00 1.01 -0.04 0.00 0.42 0.00 0.00 52.86 54.24 3iaq s ASN 460 Cb 0.00 0.95 -0.00 0.00 -1.45 0.00 0.00 41.25 40.75 3iaq s ASN 460 CO 0.00 -0.19 0.67 -0.62 -3.72 0.00 0.00 177.10 173.25 3iaq n GLU 461 N 3.52 -1.38 -0.99 0.43 1.02 -1.26 -4.16 120.64 117.81 3iaq n GLU 461 Ca -0.18 0.96 0.03 0.00 -0.02 0.00 0.00 57.16 57.95 3iaq n GLU 461 Cb 0.56 -3.83 0.03 0.00 -0.02 0.00 0.00 31.44 28.18 3iaq n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3iaq n SER 462 N -2.32 0.72 -0.04 1.62 7.64 -1.26 -1.81 113.62 118.17 3iaq n SER 462 Ca -0.17 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.54 3iaq n SER 462 Cb 0.61 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3iaq n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iaq n GLY 463 N 0.11 0.86 3.14 0.23 0.00 -1.24 -3.81 105.19 104.48 3iaq n GLY 463 Ca 0.05 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 3iaq n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iaq s HIS 464 N 0.00 2.87 0.28 1.61 2.46 -1.26 -3.57 115.29 117.69 3iaq s HIS 464 Ca 0.00 -1.66 0.08 0.00 0.47 0.00 0.00 55.06 53.95 3iaq s HIS 464 Cb 0.00 -1.95 -0.06 0.00 -0.13 0.00 0.00 32.58 30.45 3iaq s HIS 464 CO 0.00 -0.79 -0.10 0.20 -2.47 0.00 0.00 174.74 171.58 3iaq s GLY 465 N 1.29 1.85 0.56 1.59 0.00 -1.26 -4.83 107.32 106.52 3iaq s GLY 465 Ca 0.03 -1.90 0.24 0.00 0.00 0.00 0.00 44.72 43.09 3iaq s GLY 465 CO -0.11 -1.89 2.14 0.00 0.00 0.00 0.00 173.10 173.25 3iaq h ALA 466 N 2.27 1.91 -0.07 3.20 0.00 -1.80 0.13 119.26 124.90 3iaq h ALA 466 Ca -0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3iaq h ALA 466 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3iaq h ALA 466 CO 0.66 -0.16 -0.11 -0.91 0.00 0.00 0.00 179.25 178.72 3iaq h ASN 467 N 0.00 0.10 -0.11 0.00 2.35 -1.63 -1.69 115.58 114.59 3iaq h ASN 467 Ca 0.06 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3iaq h ASN 467 Cb 0.26 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3iaq h ASN 467 CO -0.00 0.23 -0.29 0.45 -1.65 0.00 0.00 177.43 176.17 3iaq h HIS 468 N 0.11 0.67 0.05 1.19 3.86 -1.14 -2.52 115.15 117.36 3iaq h HIS 468 Ca 0.02 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3iaq h HIS 468 Cb 0.27 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3iaq h HIS 468 CO 0.00 0.81 -0.02 -0.44 0.86 0.00 0.00 177.93 179.14 3iaq h ASP 469 N 0.50 -0.06 -0.55 2.45 3.32 -1.33 -1.13 116.42 119.63 3iaq h ASP 469 Ca 0.06 -0.39 0.10 0.00 0.02 0.00 0.00 57.03 56.82 3iaq h ASP 469 Cb 0.75 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 3iaq h ASP 469 CO 0.06 0.37 0.11 0.00 -1.72 0.00 0.00 179.24 178.06 3iaq h ALA 470 N 0.41 0.63 -0.29 3.45 0.00 -1.38 -1.74 119.26 120.34 3iaq h ALA 470 Ca -0.01 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3iaq h ALA 470 Cb 0.45 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iaq h ALA 470 CO 0.01 -0.31 -0.45 -0.07 0.00 0.00 0.00 179.25 178.44 3iaq h LEU 471 N 0.24 0.90 -0.22 0.00 3.38 -1.47 -1.26 115.31 116.88 3iaq h LEU 471 Ca 0.28 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.80 3iaq h LEU 471 Cb 0.40 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3iaq h LEU 471 CO -0.37 1.24 -0.23 0.22 0.09 0.00 0.00 178.44 179.39 3iaq h TYR 472 N 0.59 -0.61 -0.74 1.13 3.20 -0.96 -1.65 116.97 117.93 3iaq h TYR 472 Ca 0.03 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3iaq h TYR 472 Cb 1.05 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 3iaq h TYR 472 CO 0.07 -0.31 0.45 -0.09 -1.64 0.00 0.00 178.16 176.64 3iaq h ARG 473 N -0.24 0.81 -0.60 1.82 9.65 -1.22 -1.73 114.38 122.86 3iaq h ARG 473 Ca 0.13 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.02 3iaq h ARG 473 Cb 0.44 -0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 28.79 3iaq h ARG 473 CO -0.36 0.54 0.31 2.35 2.80 0.00 0.00 179.97 185.60 3iaq h TRP 474 N 0.84 0.56 -0.30 2.20 7.01 -0.48 0.50 115.95 126.26 3iaq h TRP 474 Ca 0.32 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.19 3iaq h TRP 474 Cb 0.12 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3iaq h TRP 474 CO -0.05 0.25 -0.41 0.82 -2.79 0.00 0.00 178.44 176.26 3iaq h ILE 475 N 0.57 1.29 -0.89 2.65 2.04 -1.00 -0.68 117.51 121.48 3iaq h ILE 475 Ca 0.28 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 3iaq h ILE 475 Cb 0.21 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3iaq h ILE 475 CO -0.20 0.51 0.48 0.11 0.00 0.00 0.00 178.15 179.05 3iaq h LYS 476 N 0.60 1.25 -0.21 2.37 1.79 -0.66 0.25 116.57 121.97 3iaq h LYS 476 Ca 0.05 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 3iaq h LYS 476 Cb 0.95 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3iaq h LYS 476 CO 0.09 0.92 -0.35 1.03 -1.08 0.00 0.00 179.45 180.06 3iaq h SER 477 N 1.25 0.66 0.01 0.86 0.87 -0.79 -3.31 113.55 113.10 3iaq h SER 477 Ca 0.31 -0.53 -0.17 0.00 -1.23 0.00 0.00 61.79 60.17 3iaq h SER 477 Cb 0.04 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3iaq h SER 477 CO -0.05 1.07 -0.66 0.58 -0.53 0.00 0.00 176.83 177.25 3iaq h VAL 478 N 0.28 1.42 -3.03 2.23 2.07 -1.00 -3.42 116.25 114.79 3iaq h VAL 478 Ca 0.01 -2.12 -0.61 0.00 0.82 0.00 0.00 66.70 64.81 3iaq h VAL 478 Cb 0.94 2.61 -0.40 0.00 -1.52 0.00 0.00 31.29 32.92 3iaq h VAL 478 CO 0.08 0.62 -0.74 -0.62 0.02 0.00 0.00 177.57 176.93 3iaq s ASP 479 N -6.81 3.74 0.02 0.57 2.15 0.87 -4.96 116.67 112.25 3iaq s ASP 479 Ca -0.13 -2.39 0.17 0.00 0.43 0.00 0.00 52.55 50.63 3iaq s ASP 479 Cb 0.04 -1.00 0.74 0.00 -0.30 0.00 0.00 42.92 42.40 3iaq s ASP 479 CO 0.83 -0.30 1.55 -2.65 -0.17 0.00 0.00 175.17 174.43 3iaq n PRO 480 N 3.85 0.02 0.16 4.34 -0.02 -1.25 -3.73 135.00 138.38 3iaq n PRO 480 Ca 0.06 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3iaq n PRO 480 Cb 0.36 -1.53 0.18 0.00 -0.02 0.00 0.00 33.50 32.49 3iaq n PRO 480 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iaq h SER 481 N 0.00 0.00 -3.80 2.55 4.64 -1.91 -3.45 113.55 111.58 3iaq h SER 481 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3iaq h SER 481 Cb 0.30 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.07 3iaq h SER 481 CO 0.00 0.46 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.44 3iaq s ARG 482 N -3.27 2.02 0.42 4.77 0.52 -1.24 -4.25 118.95 117.91 3iaq s ARG 482 Ca 0.02 -0.66 -0.25 0.00 -0.52 0.00 0.00 55.73 54.32 3iaq s ARG 482 Cb 0.09 -1.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.78 3iaq s ARG 482 CO 0.72 0.23 1.29 -2.14 0.02 0.00 0.00 175.30 175.42 3iaq s PRO 483 N 0.11 3.87 -0.20 3.54 0.02 -1.25 -4.78 135.00 136.31 3iaq s PRO 483 Ca -0.07 2.12 -0.09 0.00 0.02 0.00 0.00 61.00 62.99 3iaq s PRO 483 Cb -0.13 -2.68 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3iaq s PRO 483 CO 0.03 -0.56 0.10 0.08 -0.33 0.00 0.00 177.00 176.32 3iaq s VAL 484 N -1.30 5.05 0.24 3.83 1.01 -1.26 -1.67 120.40 126.31 3iaq s VAL 484 Ca 0.59 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.74 3iaq s VAL 484 Cb -0.37 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3iaq s VAL 484 CO 0.47 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.80 3iaq s GLN 485 N 0.50 1.57 -0.28 2.72 -2.07 0.18 -0.39 119.66 121.89 3iaq s GLN 485 Ca 0.05 -1.66 -0.21 0.00 -1.82 0.00 0.00 55.36 51.73 3iaq s GLN 485 Cb -0.12 -1.69 0.12 0.00 -1.09 0.00 0.00 33.01 30.22 3iaq s GLN 485 CO 0.00 0.33 0.93 -0.47 -1.32 0.00 0.00 175.29 174.76 3iaq s TYR 486 N -2.29 -0.63 -0.08 9.60 5.04 -1.26 -2.42 117.35 125.31 3iaq s TYR 486 Ca 0.26 1.38 0.07 0.00 -2.44 0.00 0.00 57.07 56.33 3iaq s TYR 486 Cb -0.05 0.39 -0.24 0.00 0.35 0.00 0.00 41.96 42.40 3iaq s TYR 486 CO 0.12 -0.31 0.51 -1.91 -1.34 0.00 0.00 175.55 172.63 3iaq n GLU 487 N 3.09 0.68 -1.52 4.97 0.00 -1.26 -4.59 120.64 122.01 3iaq n GLU 487 Ca -0.16 0.27 -0.38 0.00 0.00 0.00 0.00 57.16 56.89 3iaq n GLU 487 Cb 0.57 -1.74 0.04 0.00 0.00 0.00 0.00 31.44 30.31 3iaq n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3iaq n GLY 488 N 1.72 -1.05 2.27 8.31 0.00 -1.26 0.06 105.19 115.24 3iaq n GLY 488 Ca -0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 3iaq n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 489 N 1.60 0.92 0.00 -0.02 0.00 -1.23 -3.83 105.19 102.62 3iaq n GLY 489 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3iaq n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 490 N -1.85 0.96 2.86 -0.02 0.00 -1.22 -4.78 105.19 101.14 3iaq n GLY 490 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3iaq n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaq n ALA 491 N 0.00 0.00 -2.22 4.61 0.00 0.11 -4.74 120.51 118.27 3iaq n ALA 491 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3iaq n ALA 491 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3iaq n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iaq n ASP 492 N -0.34 0.36 -2.67 0.00 5.75 -1.26 -2.28 116.55 116.10 3iaq n ASP 492 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3iaq n ASP 492 Cb 0.17 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3iaq n ASP 492 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3iaq n THR 493 N 0.22 0.00 1.46 2.12 -2.24 -1.26 -4.92 114.28 109.65 3iaq n THR 493 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 3iaq n THR 493 Cb 0.88 -1.20 0.65 0.00 -2.10 0.00 0.00 70.33 68.56 3iaq n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3iaq n THR 494 N -1.86 0.00 0.99 4.28 -2.24 -1.26 -3.69 114.28 110.49 3iaq n THR 494 Ca 0.00 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 3iaq n THR 494 Cb 0.00 -0.14 0.32 0.00 -2.10 0.00 0.00 70.33 68.41 3iaq n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaq n ALA 495 N -0.94 2.49 -2.93 6.98 0.00 -1.26 -4.93 120.51 119.92 3iaq n ALA 495 Ca 0.15 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 3iaq n ALA 495 Cb 0.26 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 3iaq n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3iaq s THR 496 N -1.70 -0.00 -0.59 0.00 -1.32 -1.24 -4.10 115.64 106.69 3iaq s THR 496 Ca 0.33 0.01 0.24 0.00 -1.21 0.00 0.00 61.69 61.06 3iaq s THR 496 Cb 0.18 -0.05 0.07 0.00 -1.51 0.00 0.00 72.50 71.19 3iaq s THR 496 CO 0.27 0.00 1.33 0.44 -2.21 0.00 0.00 174.62 174.45 3iaq h ASP 497 N 6.15 0.00 -3.82 8.08 3.32 -1.06 -3.46 116.42 125.63 3iaq h ASP 497 Ca -0.25 -0.16 -0.55 0.00 0.02 0.00 0.00 57.03 56.09 3iaq h ASP 497 Cb 1.20 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.44 3iaq h ASP 497 CO 0.49 0.08 -0.83 -0.63 -1.72 0.00 0.00 179.24 176.63 3iaq s ILE 498 N -3.19 1.38 -0.17 0.35 1.01 -1.26 -4.42 121.20 114.90 3iaq s ILE 498 Ca 0.06 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 3iaq s ILE 498 Cb 0.12 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3iaq s ILE 498 CO 0.72 0.40 1.62 -0.63 0.00 0.00 0.00 174.94 177.04 3iaq s ILE 499 N 0.13 3.69 -0.46 2.92 1.01 -0.01 -4.65 121.20 123.81 3iaq s ILE 499 Ca -0.05 0.80 0.09 0.00 0.00 0.00 0.00 60.65 61.48 3iaq s ILE 499 Cb -0.12 -3.64 0.33 0.00 0.01 0.00 0.00 42.46 39.04 3iaq s ILE 499 CO 0.02 -0.21 0.79 0.00 0.00 0.00 0.00 174.94 175.54 3iaq s PRO 501 N -2.71 1.82 -0.23 0.00 0.04 -1.26 -3.68 135.00 128.98 3iaq s PRO 501 Ca 0.43 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 3iaq s PRO 501 Cb 0.30 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.97 3iaq s PRO 501 CO -0.10 -1.94 0.00 0.00 0.04 0.00 0.00 177.00 175.00 3iaq s MET 502 N -4.87 3.49 -1.11 4.56 0.23 -1.26 -2.46 119.30 117.89 3iaq s MET 502 Ca 0.62 -0.56 0.00 0.00 -1.03 0.00 0.00 55.69 54.72 3iaq s MET 502 Cb -0.18 -3.14 0.00 0.00 -1.53 0.00 0.00 34.83 29.98 3iaq s MET 502 CO 0.57 -0.19 0.00 0.66 -2.03 0.00 0.00 175.02 174.03 3iaq n TYR 503 N 4.84 -0.62 -2.43 3.16 4.01 0.57 -4.98 117.16 121.71 3iaq n TYR 503 Ca -0.17 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 3iaq n TYR 503 Cb 0.51 -2.86 -0.03 0.00 -0.31 0.00 0.00 39.34 36.65 3iaq n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iaq s ALA 504 N -2.65 3.40 0.66 -0.72 0.00 -1.26 -4.85 121.76 116.34 3iaq s ALA 504 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 3iaq s ALA 504 Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.74 3iaq s ALA 504 CO 0.00 -0.34 0.99 1.03 0.00 0.00 0.00 175.76 177.45 3iaq s ARG 505 N 0.05 2.68 0.00 0.00 0.52 -1.26 -4.80 118.95 116.15 3iaq s ARG 505 Ca 0.53 0.06 -0.25 0.00 -0.52 0.00 0.00 55.73 55.56 3iaq s ARG 505 Cb -0.31 -2.17 -0.17 0.00 0.52 0.00 0.00 34.95 32.83 3iaq s ARG 505 CO 0.34 -0.96 1.23 0.28 0.02 0.00 0.00 175.30 176.21 3iaq h VAL 506 N -0.44 0.83 0.00 3.52 2.07 -1.94 -2.16 116.25 118.12 3iaq h VAL 506 Ca -0.45 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3iaq h VAL 506 Cb 1.27 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3iaq h VAL 506 CO 0.62 0.15 -1.30 0.47 0.02 0.00 0.00 177.57 177.52 3iaq n ASP 507 N -5.07 3.65 -4.70 0.57 8.00 -1.26 -3.36 116.55 114.37 3iaq n ASP 507 Ca -0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.03 3iaq n ASP 507 Cb 0.25 1.09 -0.06 0.00 -0.02 0.00 0.00 41.12 42.38 3iaq n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3iaq s GLU 508 N -2.33 4.29 0.19 -1.24 2.12 -1.26 -4.72 118.70 115.75 3iaq s GLU 508 Ca -0.02 0.44 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 3iaq s GLU 508 Cb 0.03 -3.48 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 3iaq s GLU 508 CO 0.24 0.06 0.98 -0.51 -0.54 0.00 0.00 175.26 175.49 3iaq s ASP 509 N 0.80 7.52 -0.70 -1.70 1.01 -1.26 -3.58 116.67 118.75 3iaq s ASP 509 Ca 0.25 1.95 0.03 0.00 0.71 0.00 0.00 52.55 55.49 3iaq s ASP 509 Cb -0.15 -2.60 0.17 0.00 1.01 0.00 0.00 42.92 41.35 3iaq s ASP 509 CO 0.10 0.01 0.50 -1.10 0.21 0.00 0.00 175.17 174.90 3iaq s GLN 510 N -0.72 2.53 -1.40 8.23 -0.21 -0.16 -4.93 119.66 123.00 3iaq s GLN 510 Ca 0.44 -3.20 -0.10 0.00 0.02 0.00 0.00 55.36 52.52 3iaq s GLN 510 Cb -0.26 -3.51 0.08 0.00 1.00 0.00 0.00 33.01 30.32 3iaq s GLN 510 CO 0.32 -1.25 2.24 -0.35 -2.12 0.00 0.00 175.29 174.14 3iaq n PRO 511 N 2.26 3.51 -1.87 2.91 -0.04 -1.26 -1.22 135.00 139.29 3iaq n PRO 511 Ca 0.17 -2.99 -0.39 0.00 -0.04 0.00 0.00 63.50 60.26 3iaq n PRO 511 Cb 0.35 -2.99 0.02 0.00 -0.04 0.00 0.00 33.50 30.84 3iaq n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iaq s PHE 512 N 1.41 2.46 0.36 0.54 0.08 -1.26 -4.88 117.98 116.69 3iaq s PHE 512 Ca 0.49 1.36 -0.28 0.00 0.12 0.00 0.00 56.93 58.62 3iaq s PHE 512 Cb 0.14 -3.79 -0.12 0.00 -0.57 0.00 0.00 43.02 38.69 3iaq s PHE 512 CO -0.05 -2.68 1.37 -0.35 -0.10 0.00 0.00 175.22 173.41 3iaq n PRO 513 N -0.55 2.35 0.00 0.24 -0.04 -1.26 -2.54 135.00 133.20 3iaq n PRO 513 Ca 0.07 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 3iaq n PRO 513 Cb 0.44 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3iaq n PRO 513 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iaq n ALA 514 N 0.34 0.00 -3.10 0.55 0.00 -1.26 -4.53 120.51 112.51 3iaq n ALA 514 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 3iaq n ALA 514 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3iaq n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3iaq n VAL 515 N 0.00 0.72 -2.02 0.00 0.24 -1.24 -4.80 118.33 111.23 3iaq n VAL 515 Ca 0.00 -4.79 -0.36 0.00 -2.04 0.00 0.00 64.34 57.15 3iaq n VAL 515 Cb 0.00 -0.52 0.03 0.00 -1.47 0.00 0.00 33.84 31.88 3iaq n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3iaq s PRO 516 N -2.73 3.06 -0.77 7.34 0.04 -1.05 -4.61 135.00 136.28 3iaq s PRO 516 Ca 0.42 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 63.24 3iaq s PRO 516 Cb 0.34 -2.00 0.20 0.00 0.04 0.00 0.00 34.50 33.07 3iaq s PRO 516 CO -0.09 -1.14 0.66 0.15 0.04 0.00 0.00 177.00 176.62 3iaq s LYS 517 N -3.23 3.18 0.55 4.56 1.02 -0.36 -4.89 119.74 120.58 3iaq s LYS 517 Ca 0.76 -2.65 -0.18 0.00 0.02 0.00 0.00 55.97 53.91 3iaq s LYS 517 Cb -0.31 -4.09 -0.05 0.00 -0.52 0.00 0.00 37.83 32.85 3iaq s LYS 517 CO 0.34 -1.24 1.09 -1.58 -0.92 0.00 0.00 175.35 173.05 3iaq s TRP 518 N -0.23 2.79 -0.09 3.18 0.52 -1.26 -0.98 118.94 122.86 3iaq s TRP 518 Ca 0.20 1.55 -0.39 0.00 0.02 0.00 0.00 56.10 57.47 3iaq s TRP 518 Cb -0.14 -3.18 -0.17 0.00 -1.15 0.00 0.00 33.47 28.83 3iaq s TRP 518 CO -0.07 -1.34 1.43 0.45 0.02 0.00 0.00 176.95 177.44 3iaq n SER 519 N -1.50 1.51 -0.08 2.95 2.88 -1.23 -4.48 113.62 113.66 3iaq n SER 519 Ca 0.10 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 3iaq n SER 519 Cb 0.52 -1.10 0.49 0.00 -0.75 0.00 0.00 64.21 63.37 3iaq n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3iaq h ILE 520 N 3.97 0.91 -0.43 2.46 3.07 -1.39 0.42 117.51 126.52 3iaq h ILE 520 Ca -0.48 -0.15 -0.08 0.00 1.55 0.00 0.00 64.86 65.71 3iaq h ILE 520 Cb 1.35 0.44 -0.01 0.00 -0.27 0.00 0.00 36.82 38.33 3iaq h ILE 520 CO 0.83 0.08 -0.03 0.11 -1.05 0.00 0.00 178.15 178.08 3iaq h LYS 521 N 0.43 0.79 -0.27 0.16 1.57 -1.84 -3.15 116.57 114.26 3iaq h LYS 521 Ca 0.27 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3iaq h LYS 521 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3iaq h LYS 521 CO -0.08 0.87 -0.44 -0.22 -0.57 0.00 0.00 179.45 179.01 3iaq h LYS 522 N 0.62 0.67 -0.62 3.15 3.64 -1.18 -3.31 116.57 119.55 3iaq h LYS 522 Ca 0.12 -0.37 0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3iaq h LYS 522 Cb 0.54 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3iaq h LYS 522 CO 0.03 0.98 0.37 2.35 -2.27 0.00 0.00 179.45 180.90 3iaq h TRP 523 N 0.54 0.68 -0.55 1.91 2.91 -0.24 -2.99 115.95 118.23 3iaq h TRP 523 Ca 0.04 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.15 3iaq h TRP 523 Cb 0.98 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 3iaq h TRP 523 CO 0.05 0.37 0.37 -0.07 -1.03 0.00 0.00 178.44 178.13 3iaq h LEU 524 N 0.71 0.40 -3.34 0.65 3.38 -1.64 -2.88 115.31 112.60 3iaq h LEU 524 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 3iaq h LEU 524 Cb 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3iaq h LEU 524 CO -0.12 0.26 0.02 -1.54 0.09 0.00 0.00 178.44 177.14 3iaq n SER 525 N -4.47 3.63 -4.76 -0.43 3.41 -1.13 -4.48 113.62 105.39 3iaq n SER 525 Ca 0.08 -3.23 -0.39 0.00 -0.26 0.00 0.00 58.87 55.07 3iaq n SER 525 Cb 0.28 -0.59 0.01 0.00 -0.26 0.00 0.00 64.21 63.65 3iaq n SER 525 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iaq s LEU 526 N -2.96 4.06 -0.41 1.04 1.43 -1.09 -4.85 118.68 115.90 3iaq s LEU 526 Ca 0.44 2.63 -0.45 0.00 -1.03 0.00 0.00 54.13 55.72 3iaq s LEU 526 Cb 0.37 -4.09 -0.19 0.00 0.03 0.00 0.00 46.19 42.31 3iaq s LEU 526 CO 0.07 -1.10 1.60 -2.65 0.23 0.00 0.00 176.35 174.50 3iaq n PRO 527 N -0.37 0.30 0.00 1.29 -0.02 -1.26 -0.78 135.00 134.16 3iaq n PRO 527 Ca 0.07 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3iaq n PRO 527 Cb 0.45 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3iaq n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iaq n GLY 528 N 3.89 2.68 3.75 -1.23 0.00 -1.26 -5.02 105.19 108.00 3iaq n GLY 528 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3iaq n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iaq s GLU 529 N -0.28 4.72 0.00 1.61 2.56 0.04 -4.95 118.70 122.41 3iaq s GLU 529 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 54.97 56.62 3iaq s GLU 529 Cb 0.00 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.88 3iaq s GLU 529 CO 0.00 0.32 0.00 0.25 -0.56 0.00 0.00 175.26 175.27 3iaq n THR 530 N 1.53 0.00 -1.03 -1.70 -2.24 -1.26 -4.75 114.28 104.83 3iaq n THR 530 Ca -0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 3iaq n THR 530 Cb 0.46 -0.19 0.13 0.00 -2.10 0.00 0.00 70.33 68.63 3iaq n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iaq s ARG 531 N -1.15 1.58 0.60 -0.78 0.52 -1.26 -4.28 118.95 114.18 3iaq s ARG 531 Ca 0.00 1.57 -0.16 0.00 -0.52 0.00 0.00 55.73 56.61 3iaq s ARG 531 Cb 0.00 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 3iaq s ARG 531 CO 0.00 -2.22 1.08 -1.25 0.02 0.00 0.00 175.30 172.93 3iaq s PRO 532 N -4.44 3.20 -0.21 3.54 0.04 -0.95 -4.79 135.00 131.40 3iaq s PRO 532 Ca 0.68 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 3iaq s PRO 532 Cb -0.24 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.30 3iaq s PRO 532 CO 0.53 -0.92 -0.11 -1.17 0.04 0.00 0.00 177.00 175.37 3iaq s LEU 533 N -4.48 2.70 -0.18 -3.56 0.20 -0.43 -0.83 118.68 112.10 3iaq s LEU 533 Ca 0.66 -0.68 -0.03 0.00 0.69 0.00 0.00 54.13 54.77 3iaq s LEU 533 Cb -0.18 -1.61 0.06 0.00 -0.43 0.00 0.00 46.19 44.03 3iaq s LEU 533 CO 0.36 -0.05 0.04 -0.63 -0.29 0.00 0.00 176.35 175.78 3iaq s ILE 534 N 1.34 0.46 0.07 6.68 1.01 -0.32 -1.58 121.20 128.87 3iaq s ILE 534 Ca 0.03 -0.45 -0.31 0.00 0.00 0.00 0.00 60.65 59.93 3iaq s ILE 534 Cb -0.15 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.30 3iaq s ILE 534 CO -0.08 -0.16 1.72 -0.76 0.00 0.00 0.00 174.94 175.67 3iaq s LEU 535 N 1.89 4.37 0.42 2.97 1.02 -1.06 -4.14 118.68 124.15 3iaq s LEU 535 Ca -0.00 2.54 0.18 0.00 0.02 0.00 0.00 54.13 56.87 3iaq s LEU 535 Cb -0.16 -3.56 0.92 0.00 0.02 0.00 0.00 46.19 43.41 3iaq s LEU 535 CO -0.08 -0.93 1.88 0.00 0.02 0.00 0.00 176.35 177.24 3iaq s GLU 537 N -4.08 0.08 0.26 0.00 2.02 -1.23 -4.40 118.70 111.35 3iaq s GLU 537 Ca -0.02 0.32 -0.18 0.00 0.02 0.00 0.00 54.97 55.11 3iaq s GLU 537 Cb 0.13 -0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.22 3iaq s GLU 537 CO 0.68 -0.15 0.61 1.52 0.02 0.00 0.00 175.26 177.94 3iaq s TYR 538 N 1.02 0.02 -0.69 1.61 1.13 -0.88 -0.32 117.35 119.26 3iaq s TYR 538 Ca -0.08 -0.43 -0.08 0.00 -1.41 0.00 0.00 57.07 55.07 3iaq s TYR 538 Cb -0.10 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.25 3iaq s TYR 538 CO -0.05 -1.11 0.65 0.00 -2.51 0.00 0.00 175.55 172.53 3iaq n ALA 539 N -0.42 -2.66 -1.76 9.51 0.00 -1.26 -1.24 120.51 122.69 3iaq n ALA 539 Ca -0.04 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 3iaq n ALA 539 Cb 0.60 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 3iaq n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iaq s HIS 540 N -2.72 1.38 -0.18 0.00 2.46 -0.23 -3.82 115.29 112.17 3iaq s HIS 540 Ca 0.09 0.86 -0.04 0.00 0.47 0.00 0.00 55.06 56.45 3iaq s HIS 540 Cb -0.02 -3.91 -0.06 0.00 -0.13 0.00 0.00 32.58 28.46 3iaq s HIS 540 CO 0.83 -3.14 2.90 0.00 -2.47 0.00 0.00 174.74 172.85 3iaq n ALA 541 N 12.57 5.86 -2.61 1.58 0.00 0.42 -4.38 120.51 133.93 3iaq n ALA 541 Ca 0.28 -1.88 -0.42 0.00 0.00 0.00 0.00 53.44 51.42 3iaq n ALA 541 Cb 0.49 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 3iaq n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3iaq s MET 542 N -0.36 3.96 6.84 0.00 1.75 -1.26 -3.19 119.30 127.04 3iaq s MET 542 Ca 0.49 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 55.46 3iaq s MET 542 Cb 0.28 -3.72 0.00 0.00 2.84 0.00 0.00 34.83 34.23 3iaq s MET 542 CO -0.07 -0.64 0.00 0.41 -0.65 0.00 0.00 175.02 174.07 3iaq n GLY 543 N 4.23 3.35 3.56 2.11 0.00 -1.26 -3.90 105.19 113.29 3iaq n GLY 543 Ca 0.03 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3iaq n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iaq s ASN 544 N -4.00 6.53 0.00 1.61 3.84 -1.26 -4.89 114.94 116.76 3iaq s ASN 544 Ca 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 52.86 51.53 3iaq s ASN 544 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 3iaq s ASN 544 CO 0.00 -1.48 0.00 -0.24 -2.79 0.00 0.00 177.10 172.59 3iaq n SER 545 N 8.81 0.30 0.00 -4.21 2.88 -1.25 -4.76 113.62 115.39 3iaq n SER 545 Ca 0.34 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 3iaq n SER 545 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3iaq n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3iaq n LEU 546 N 0.00 0.00 -4.75 2.46 7.94 -1.22 -4.80 117.00 116.63 3iaq n LEU 546 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3iaq n LEU 546 Cb 0.00 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.49 3iaq n LEU 546 CO 0.00 0.00 1.04 -0.83 -1.11 0.00 0.00 177.39 176.49 3iaq s GLY 547 N -2.11 2.53 0.00 -3.96 0.00 -0.88 -2.81 107.32 100.09 3iaq s GLY 547 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 3iaq s GLY 547 CO 0.00 2.12 0.00 0.61 0.00 0.00 0.00 173.10 175.83 3iaq n GLY 548 N 1.89 0.61 0.21 0.20 0.00 0.07 -4.10 105.19 104.07 3iaq n GLY 548 Ca 0.05 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 3iaq n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iaq h PHE 549 N 0.00 0.81 -0.10 1.61 3.57 -1.70 -3.02 116.94 118.10 3iaq h PHE 549 Ca 0.00 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.32 3iaq h PHE 549 Cb 0.00 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 3iaq h PHE 549 CO 0.00 0.92 0.08 0.00 -2.23 0.00 0.00 178.31 177.08 3iaq h ALA 550 N 0.76 2.00 -0.70 2.41 0.00 -1.86 -2.03 119.26 119.84 3iaq h ALA 550 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3iaq h ALA 550 Cb 0.73 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3iaq h ALA 550 CO 0.05 -0.13 0.41 -0.22 0.00 0.00 0.00 179.25 179.35 3iaq h LYS 551 N 0.00 0.96 -0.24 0.00 3.64 -1.92 -0.66 116.57 118.35 3iaq h LYS 551 Ca 0.05 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3iaq h LYS 551 Cb 0.21 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3iaq h LYS 551 CO -0.00 0.70 0.02 1.88 -2.27 0.00 0.00 179.45 179.78 3iaq h TYR 552 N 0.96 0.02 0.00 1.91 0.05 -1.47 -2.68 116.97 115.76 3iaq h TYR 552 Ca 0.25 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.97 3iaq h TYR 552 Cb -0.00 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3iaq h TYR 552 CO -0.01 -0.01 -0.37 -1.49 -1.05 0.00 0.00 178.16 175.23 3iaq h TRP 553 N 0.10 0.00 -0.47 4.88 4.06 -1.36 0.27 115.95 123.42 3iaq h TRP 553 Ca 0.11 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 3iaq h TRP 553 Cb 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3iaq h TRP 553 CO -0.18 0.37 0.02 0.37 -3.56 0.00 0.00 178.44 175.46 3iaq h GLN 554 N 0.00 0.82 -0.11 0.49 -0.00 -1.13 -2.88 115.11 112.29 3iaq h GLN 554 Ca -0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 58.65 58.35 3iaq h GLN 554 Cb 1.11 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.51 3iaq h GLN 554 CO 0.05 0.86 -0.13 0.00 0.00 0.00 0.00 178.83 179.61 3iaq h ALA 555 N 0.93 0.17 -0.79 3.38 0.00 -1.05 -2.04 119.26 119.86 3iaq h ALA 555 Ca 0.14 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 54.88 3iaq h ALA 555 Cb 0.47 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3iaq h ALA 555 CO 0.02 0.03 0.35 0.74 0.00 0.00 0.00 179.25 180.40 3iaq h PHE 556 N -0.12 0.61 -0.08 0.00 0.04 -0.55 -1.33 116.94 115.51 3iaq h PHE 556 Ca 0.02 0.04 -0.18 0.00 2.80 0.00 0.00 57.97 60.64 3iaq h PHE 556 Cb 0.66 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.67 3iaq h PHE 556 CO 0.09 0.10 -0.66 0.00 -0.60 0.00 0.00 178.31 177.23 3iaq h ARG 557 N 0.50 0.60 -0.48 1.51 3.08 -1.50 -3.30 114.38 114.79 3iaq h ARG 557 Ca 0.44 -0.53 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3iaq h ARG 557 Cb 0.66 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3iaq h ARG 557 CO -0.40 1.15 -0.08 0.37 -1.07 0.00 0.00 179.97 179.95 3iaq h GLN 558 N 0.22 0.87 -4.60 0.04 4.15 -0.92 -3.41 115.11 111.45 3iaq h GLN 558 Ca -0.06 -0.28 -0.70 0.00 0.77 0.00 0.00 58.65 58.37 3iaq h GLN 558 Cb 1.32 -0.07 -0.21 0.00 0.21 0.00 0.00 27.48 28.73 3iaq h GLN 558 CO 0.13 0.91 -0.47 0.71 -1.93 0.00 0.00 178.83 178.19 3iaq s TYR 559 N -4.86 3.23 0.20 3.99 1.51 -0.54 -4.99 117.35 115.89 3iaq s TYR 559 Ca -0.10 -0.52 -0.15 0.00 -1.01 0.00 0.00 57.07 55.29 3iaq s TYR 559 Cb 0.14 -2.52 0.19 0.00 -0.11 0.00 0.00 41.96 39.66 3iaq s TYR 559 CO 0.83 -0.52 1.63 -1.35 -1.11 0.00 0.00 175.55 175.04 3iaq h PRO 560 N 8.54 -0.03 0.00 -1.71 0.11 -1.80 -1.98 132.00 135.13 3iaq h PRO 560 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3iaq h PRO 560 Cb 1.13 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3iaq h PRO 560 CO 0.68 -0.02 0.00 0.54 -0.21 0.00 0.00 178.00 179.00 3iaq n ARG 561 N -5.41 0.92 -3.21 1.05 1.74 -1.26 -4.30 116.66 106.20 3iaq n ARG 561 Ca 0.06 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.70 3iaq n ARG 561 Cb 0.31 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3iaq n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3iaq s LEU 562 N -1.86 5.14 -0.20 0.55 1.43 -0.75 -1.32 118.68 121.68 3iaq s LEU 562 Ca 0.38 -1.04 0.16 0.00 -1.03 0.00 0.00 54.13 52.60 3iaq s LEU 562 Cb 0.17 -2.38 0.59 0.00 0.03 0.00 0.00 46.19 44.60 3iaq s LEU 562 CO 0.29 -0.85 1.49 0.00 0.23 0.00 0.00 176.35 177.51 3iaq n GLN 563 N 5.96 3.27 0.00 1.70 6.02 -0.61 -4.64 117.38 129.08 3iaq n GLN 563 Ca -0.08 -2.92 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 3iaq n GLN 563 Cb 0.45 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.78 3iaq n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iaq n GLY 564 N -0.32 -0.00 3.84 1.08 0.00 -1.26 0.10 105.19 108.63 3iaq n GLY 564 Ca 0.23 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 3iaq n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 565 N 0.00 0.55 3.04 -0.02 0.00 -0.74 -2.56 105.19 105.46 3iaq n GLY 565 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 3iaq n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iaq s PHE 566 N -2.12 3.23 0.35 1.61 0.40 -0.26 -1.52 117.98 119.66 3iaq s PHE 566 Ca 0.24 -2.37 -0.28 0.00 -0.60 0.00 0.00 56.93 53.91 3iaq s PHE 566 Cb -0.03 -2.07 -0.12 0.00 0.51 0.00 0.00 43.02 41.32 3iaq s PHE 566 CO 0.05 -0.88 1.45 0.28 0.70 0.00 0.00 175.22 176.81 3iaq n VAL 567 N 4.43 1.81 -3.80 -0.44 0.31 -0.36 -2.06 118.33 118.23 3iaq n VAL 567 Ca -0.10 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.41 3iaq n VAL 567 Cb 0.42 -1.85 -0.13 0.00 -0.91 0.00 0.00 33.84 31.38 3iaq n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3iaq s TRP 568 N -0.91 3.19 0.00 3.52 -0.11 -0.37 0.20 118.94 124.47 3iaq s TRP 568 Ca 0.56 -1.33 0.00 0.00 1.22 0.00 0.00 56.10 56.55 3iaq s TRP 568 Cb -0.51 -2.22 0.00 0.00 -1.50 0.00 0.00 33.47 29.24 3iaq s TRP 568 CO 0.61 -0.68 0.00 -0.40 -4.62 0.00 0.00 176.95 171.85 3iaq n ASP 569 N 4.79 0.00 0.02 5.86 5.75 0.63 -0.44 116.55 133.17 3iaq n ASP 569 Ca -0.14 -0.28 -0.01 0.00 -0.01 0.00 0.00 54.79 54.35 3iaq n ASP 569 Cb 0.46 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 3iaq n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3iaq h TRP 570 N 0.28 -0.07 -3.96 2.11 -0.00 -1.16 -2.11 115.95 111.04 3iaq h TRP 570 Ca 0.00 -0.00 -0.69 0.00 -0.00 0.00 0.00 58.89 58.20 3iaq h TRP 570 Cb 0.00 0.02 -0.22 0.00 -0.00 0.00 0.00 29.16 28.96 3iaq h TRP 570 CO 0.00 -0.04 -0.77 0.54 -0.00 0.00 0.00 178.44 178.17 3iaq s VAL 571 N -1.92 3.04 0.14 2.65 0.11 -1.26 -0.96 120.40 122.20 3iaq s VAL 571 Ca -0.01 -0.89 -0.31 0.00 -2.93 0.00 0.00 61.98 57.83 3iaq s VAL 571 Cb 0.00 -2.24 -0.10 0.00 -1.53 0.00 0.00 36.38 32.51 3iaq s VAL 571 CO 0.03 0.48 1.67 -1.81 -3.33 0.00 0.00 175.10 172.14 3iaq s ASP 572 N -1.07 6.52 -0.16 3.54 1.01 -0.10 -4.33 116.67 122.08 3iaq s ASP 572 Ca 0.13 2.66 -0.04 0.00 0.71 0.00 0.00 52.55 56.02 3iaq s ASP 572 Cb -0.11 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 3iaq s ASP 572 CO 0.03 -0.90 2.89 0.00 0.21 0.00 0.00 175.17 177.40 3iaq n GLN 573 N 4.72 1.90 -3.27 8.23 6.02 -0.84 -3.80 117.38 130.34 3iaq n GLN 573 Ca 0.16 -1.25 -0.34 0.00 -0.01 0.00 0.00 57.00 55.56 3iaq n GLN 573 Cb 0.38 -1.80 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 3iaq n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iaq s SER 574 N 1.32 6.79 0.01 1.08 1.04 -1.26 -4.80 113.70 117.88 3iaq s SER 574 Ca 0.48 1.15 0.07 0.00 0.48 0.00 0.00 55.95 58.12 3iaq s SER 574 Cb 0.27 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 3iaq s SER 574 CO -0.06 -0.05 -0.21 -0.76 0.98 0.00 0.00 173.24 173.15 3iaq s LEU 575 N -2.50 2.43 0.03 2.42 1.43 -0.34 -4.24 118.68 117.91 3iaq s LEU 575 Ca 0.46 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 3iaq s LEU 575 Cb -0.13 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3iaq s LEU 575 CO 0.20 0.29 1.29 -0.63 0.23 0.00 0.00 176.35 177.72 3iaq s ILE 576 N -0.79 3.87 0.25 -0.59 -1.09 -0.94 -0.22 121.20 121.69 3iaq s ILE 576 Ca 0.12 1.30 0.08 0.00 -2.23 0.00 0.00 60.65 59.92 3iaq s ILE 576 Cb -0.10 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 3iaq s ILE 576 CO 0.02 0.05 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.14 3iaq s LYS 577 N 1.67 1.46 0.01 2.79 1.02 -0.41 -4.93 119.74 121.35 3iaq s LYS 577 Ca 0.60 -1.69 0.07 0.00 0.02 0.00 0.00 55.97 54.97 3iaq s LYS 577 Cb -0.30 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 3iaq s LYS 577 CO 0.27 0.13 -0.23 0.71 -0.92 0.00 0.00 175.35 175.31 3iaq s TYR 578 N -2.95 2.01 0.40 3.18 1.51 -1.26 -0.79 117.35 119.44 3iaq s TYR 578 Ca 0.26 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3iaq s TYR 578 Cb 0.01 -1.24 0.07 0.00 -0.11 0.00 0.00 41.96 40.68 3iaq s TYR 578 CO 0.10 0.03 0.55 -0.40 -1.11 0.00 0.00 175.55 174.72 3iaq n ASP 579 N 2.18 1.22 0.24 2.29 5.68 -0.97 -4.91 116.55 122.28 3iaq n ASP 579 Ca -0.16 -1.92 0.16 0.00 -0.50 0.00 0.00 54.79 52.37 3iaq n ASP 579 Cb 0.53 -0.31 0.86 0.00 -1.14 0.00 0.00 41.12 41.06 3iaq n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3iaq h GLU 580 N 0.00 0.00 -0.01 0.11 4.11 -2.01 0.12 114.58 116.90 3iaq h GLU 580 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3iaq h GLU 580 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3iaq h GLU 580 CO 0.24 0.00 -0.25 0.09 0.07 0.00 0.00 179.01 179.17 3iaq n ASN 581 N -3.82 1.59 0.00 3.06 3.02 -1.26 -4.95 115.26 112.91 3iaq n ASN 581 Ca -0.00 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 3iaq n ASN 581 Cb 0.23 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3iaq n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iaq n GLY 582 N 1.33 0.49 3.72 7.41 0.00 0.42 -5.05 105.19 113.51 3iaq n GLY 582 Ca 0.13 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 3iaq n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iaq s ASN 583 N -2.84 6.65 0.31 1.61 0.02 -1.26 -4.75 114.94 114.68 3iaq s ASN 583 Ca 0.00 0.77 -0.29 0.00 -1.02 0.00 0.00 52.86 52.33 3iaq s ASN 583 Cb 0.00 -2.28 -0.10 0.00 0.02 0.00 0.00 41.25 38.90 3iaq s ASN 583 CO 0.00 -0.00 1.18 -2.16 0.02 0.00 0.00 177.10 176.14 3iaq s PRO 584 N 0.69 4.47 -0.02 -0.60 0.04 -1.26 -2.28 135.00 136.04 3iaq s PRO 584 Ca 0.25 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 3iaq s PRO 584 Cb -0.15 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3iaq s PRO 584 CO 0.10 0.01 0.18 1.67 0.04 0.00 0.00 177.00 178.99 3iaq s TRP 585 N -1.19 -0.05 -0.17 0.56 1.48 0.03 -4.97 118.94 114.63 3iaq s TRP 585 Ca 0.47 0.07 -0.29 0.00 -1.06 0.00 0.00 56.10 55.29 3iaq s TRP 585 Cb -0.35 -0.00 -0.01 0.00 -1.16 0.00 0.00 33.47 31.95 3iaq s TRP 585 CO 0.45 -0.27 1.18 -1.12 -4.06 0.00 0.00 176.95 173.13 3iaq s SER 586 N -1.07 7.02 0.16 -2.66 0.01 -1.26 -1.29 113.70 114.61 3iaq s SER 586 Ca -0.11 1.61 0.08 0.00 1.31 0.00 0.00 55.95 58.83 3iaq s SER 586 Cb -0.06 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3iaq s SER 586 CO 0.02 -0.70 -0.06 0.00 0.41 0.00 0.00 173.24 172.91 3iaq s ALA 587 N 3.18 3.06 0.00 1.44 0.00 0.70 -4.90 121.76 125.24 3iaq s ALA 587 Ca 0.51 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3iaq s ALA 587 Cb -0.20 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.04 3iaq s ALA 587 CO 0.13 0.51 0.00 2.48 0.00 0.00 0.00 175.76 178.88 3iaq n TYR 588 N 0.11 0.00 -1.65 0.00 0.18 -1.26 -1.20 117.16 113.34 3iaq n TYR 588 Ca -0.11 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.24 3iaq n TYR 588 Cb 0.55 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.47 3iaq n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iaq n GLY 589 N 2.03 1.62 0.00 -7.48 0.00 -0.71 -1.84 105.19 98.81 3iaq n GLY 589 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3iaq n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 590 N 4.84 2.98 0.05 -0.02 0.00 -1.25 -3.86 105.19 107.93 3iaq n GLY 590 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 3iaq n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iaq n ASP 591 N 0.00 0.27 -1.35 1.61 8.00 -0.77 -2.42 116.55 121.89 3iaq n ASP 591 Ca 0.00 0.56 -0.01 0.00 0.71 0.00 0.00 54.79 56.04 3iaq n ASP 591 Cb 0.00 -0.62 0.25 0.00 -0.02 0.00 0.00 41.12 40.73 3iaq n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3iaq n PHE 592 N -1.79 1.52 -0.82 1.24 3.01 -1.26 -4.90 117.46 114.47 3iaq n PHE 592 Ca 0.04 -1.26 0.00 0.00 1.01 0.00 0.00 57.45 57.24 3iaq n PHE 592 Cb 0.23 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 3iaq n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iaq n GLY 593 N -0.66 0.63 3.72 1.37 0.00 -1.02 -4.80 105.19 104.43 3iaq n GLY 593 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3iaq n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iaq s ASP 594 N -2.62 6.83 -0.28 1.61 -4.77 -1.26 -5.01 116.67 111.17 3iaq s ASP 594 Ca 0.00 2.35 -0.23 0.00 -3.30 0.00 0.00 52.55 51.38 3iaq s ASP 594 Cb 0.00 -2.59 0.09 0.00 -1.09 0.00 0.00 42.92 39.33 3iaq s ASP 594 CO 0.00 -0.63 0.83 0.28 0.70 0.00 0.00 175.17 176.34 3iaq s THR 595 N 0.88 0.00 0.60 2.11 -1.32 -1.26 -3.91 115.64 112.75 3iaq s THR 595 Ca 0.63 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.92 3iaq s THR 595 Cb -0.37 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 3iaq s THR 595 CO 0.32 0.00 1.25 -2.84 -2.21 0.00 0.00 174.62 171.14 3iaq s PRO 596 N 0.61 2.86 0.05 7.08 0.02 -1.26 -5.15 135.00 139.21 3iaq s PRO 596 Ca -0.01 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3iaq s PRO 596 Cb -0.05 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3iaq s PRO 596 CO -0.06 -1.33 -0.05 0.54 -0.33 0.00 0.00 177.00 175.78 3iaq s ASN 597 N -1.45 0.58 -0.63 2.53 2.20 -1.26 -4.71 114.94 112.20 3iaq s ASN 597 Ca 0.78 -0.74 -0.00 0.00 -0.94 0.00 0.00 52.86 51.96 3iaq s ASN 597 Cb -0.34 0.12 0.43 0.00 -2.00 0.00 0.00 41.25 39.46 3iaq s ASN 597 CO 0.37 -0.40 1.87 0.47 -2.94 0.00 0.00 177.10 176.47 3iaq n ASP 598 N 0.86 7.13 0.00 3.54 8.00 -1.13 -4.97 116.55 129.97 3iaq n ASP 598 Ca -0.19 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.52 3iaq n ASP 598 Cb 0.58 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3iaq n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3iaq n ARG 599 N -0.80 0.00 -0.04 -1.24 1.85 -1.25 -1.71 116.66 113.47 3iaq n ARG 599 Ca 0.57 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.49 3iaq n ARG 599 Cb 0.63 0.00 0.32 0.00 -1.05 0.00 0.00 32.46 32.37 3iaq n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iaq n GLN 600 N 14.00 1.24 0.00 2.89 0.00 -1.26 -1.74 117.38 132.51 3iaq n GLN 600 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 57.00 56.68 3iaq n GLN 600 Cb 0.00 -1.23 0.21 0.00 0.00 0.00 0.00 30.24 29.22 3iaq n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3iaq n PHE 601 N -0.34 0.00 0.93 2.61 3.72 -0.70 -1.46 117.46 122.23 3iaq n PHE 601 Ca 0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 3iaq n PHE 601 Cb 0.13 -0.42 0.58 0.00 -0.94 0.00 0.00 39.48 38.83 3iaq n PHE 601 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iaq s MET 603 N -3.01 2.50 -0.08 0.00 -1.94 -0.53 -1.98 119.30 114.25 3iaq s MET 603 Ca 0.13 -2.18 0.22 0.00 -1.71 0.00 0.00 55.69 52.15 3iaq s MET 603 Cb 0.18 -3.80 0.44 0.00 2.01 0.00 0.00 34.83 33.65 3iaq s MET 603 CO 0.52 -1.16 1.18 0.09 -0.01 0.00 0.00 175.02 175.64 3iaq n ASN 604 N 4.12 1.34 -4.93 3.03 4.13 -1.26 -4.08 115.26 117.61 3iaq n ASN 604 Ca 0.02 -2.52 -0.26 0.00 1.68 0.00 0.00 54.58 53.50 3iaq n ASN 604 Cb 0.40 -0.37 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 3iaq n ASN 604 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3iaq s GLY 605 N -2.50 1.66 0.34 7.41 0.00 -1.19 -0.27 107.32 112.77 3iaq s GLY 605 Ca 0.35 -0.84 0.26 0.00 0.00 0.00 0.00 44.72 44.48 3iaq s GLY 605 CO -0.13 -0.79 1.73 1.41 0.00 0.00 0.00 173.10 175.32 3iaq h LEU 606 N 1.64 0.00 -8.65 0.66 3.38 -0.32 -3.44 115.31 108.58 3iaq h LEU 606 Ca -0.49 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 56.98 3iaq h LEU 606 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 3iaq h LEU 606 CO 0.66 0.00 -0.80 0.68 0.09 0.00 0.00 178.44 179.07 3iaq s VAL 607 N -3.23 1.56 1.00 1.22 -7.23 -0.63 -0.36 120.40 112.73 3iaq s VAL 607 Ca 0.07 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 3iaq s VAL 607 Cb 0.09 -1.53 0.19 0.00 0.56 0.00 0.00 36.38 35.69 3iaq s VAL 607 CO 0.60 -0.20 1.10 -0.36 -0.31 0.00 0.00 175.10 175.92 3iaq s PHE 608 N -1.54 2.11 0.35 2.82 0.08 0.86 -0.92 117.98 121.74 3iaq s PHE 608 Ca 0.07 0.97 0.11 0.00 0.12 0.00 0.00 56.93 58.20 3iaq s PHE 608 Cb -0.08 -3.28 0.88 0.00 -0.57 0.00 0.00 43.02 39.97 3iaq s PHE 608 CO 0.04 -2.90 1.81 0.00 -0.10 0.00 0.00 175.22 174.08 3iaq h ALA 609 N -1.90 1.89 -0.19 5.36 0.00 -1.89 0.14 119.26 122.69 3iaq h ALA 609 Ca -0.55 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iaq h ALA 609 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3iaq h ALA 609 CO 0.58 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.20 3iaq n ASP 610 N -4.65 1.04 -0.27 0.00 5.75 -1.26 -4.41 116.55 112.75 3iaq n ASP 610 Ca 0.22 -1.96 -0.03 0.00 -0.01 0.00 0.00 54.79 53.00 3iaq n ASP 610 Cb 0.62 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.57 3iaq n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iaq n ARG 611 N 0.05 -0.55 -2.36 0.11 3.00 0.49 -5.02 116.66 112.39 3iaq n ARG 611 Ca 0.07 0.46 -0.41 0.00 -0.01 0.00 0.00 57.85 57.96 3iaq n ARG 611 Cb 0.17 -4.10 -0.03 0.00 0.00 0.00 0.00 32.46 28.50 3iaq n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3iaq s THR 612 N -1.98 3.58 0.27 0.55 2.01 -1.26 -4.77 115.64 114.04 3iaq s THR 612 Ca 0.00 1.29 -0.29 0.00 0.31 0.00 0.00 61.69 63.00 3iaq s THR 612 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 3iaq s THR 612 CO 0.00 0.19 1.24 -2.84 -0.69 0.00 0.00 174.62 172.52 3iaq s PRO 613 N -0.06 4.46 0.62 4.92 0.02 -1.26 -0.10 135.00 143.60 3iaq s PRO 613 Ca 0.54 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 63.46 3iaq s PRO 613 Cb -0.33 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 3iaq s PRO 613 CO 0.36 -0.08 1.05 -1.01 -0.33 0.00 0.00 177.00 176.98 3iaq s HIS 614 N -0.75 3.14 0.62 6.54 3.76 0.52 -4.82 115.29 124.29 3iaq s HIS 614 Ca 0.50 1.46 0.43 0.00 -0.15 0.00 0.00 55.06 57.29 3iaq s HIS 614 Cb -0.36 -2.91 2.33 0.00 1.11 0.00 0.00 32.58 32.74 3iaq s HIS 614 CO 0.45 -1.03 2.31 -1.35 -0.85 0.00 0.00 174.74 174.27 3iaq h PRO 615 N 0.03 0.00 0.00 8.40 0.11 -1.93 -2.20 132.00 136.41 3iaq h PRO 615 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 3iaq h PRO 615 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3iaq h PRO 615 CO 0.58 0.00 -0.45 0.00 -0.21 0.00 0.00 178.00 177.92 3iaq h ALA 616 N 1.97 1.13 -0.91 -0.75 0.00 -1.87 -3.20 119.26 115.62 3iaq h ALA 616 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.59 3iaq h ALA 616 Cb 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3iaq h ALA 616 CO 0.00 0.56 0.59 1.25 0.00 0.00 0.00 179.25 181.65 3iaq h LEU 617 N 0.00 0.86 -1.01 0.00 5.85 -1.59 -0.09 115.31 119.34 3iaq h LEU 617 Ca -0.00 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 3iaq h LEU 617 Cb 0.86 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3iaq h LEU 617 CO 0.06 0.52 -0.47 0.00 -0.34 0.00 0.00 178.44 178.21 3iaq h THR 618 N 0.96 1.34 -0.48 1.05 1.03 -1.74 -1.69 112.91 113.38 3iaq h THR 618 Ca 0.41 -1.62 -0.08 0.00 -0.01 0.00 0.00 66.41 65.11 3iaq h THR 618 Cb 0.33 1.84 -0.02 0.00 -1.07 0.00 0.00 68.15 69.23 3iaq h THR 618 CO -0.17 0.47 -0.01 -0.08 -0.01 0.00 0.00 175.52 175.71 3iaq h GLU 619 N 0.06 0.85 -0.60 0.00 4.57 -1.16 -1.46 114.58 116.83 3iaq h GLU 619 Ca 0.00 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3iaq h GLU 619 Cb 0.85 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 3iaq h GLU 619 CO 0.06 0.90 0.40 0.00 -1.18 0.00 0.00 179.01 179.20 3iaq h ALA 620 N 0.92 0.77 -0.42 2.92 0.00 -1.13 -2.43 119.26 119.89 3iaq h ALA 620 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iaq h ALA 620 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3iaq h ALA 620 CO 0.03 0.20 0.24 -0.22 0.00 0.00 0.00 179.25 179.49 3iaq h LYS 621 N 0.82 0.58 -0.61 0.00 3.64 -1.03 -0.72 116.57 119.24 3iaq h LYS 621 Ca 0.22 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3iaq h LYS 621 Cb -0.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3iaq h LYS 621 CO -0.05 0.45 0.25 1.25 -2.27 0.00 0.00 179.45 179.09 3iaq h HIS 622 N 0.54 0.93 -0.27 1.91 2.76 -1.17 -3.02 115.15 116.84 3iaq h HIS 622 Ca 0.15 -0.07 -0.19 0.00 -2.20 0.00 0.00 60.37 58.06 3iaq h HIS 622 Cb 0.04 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.72 3iaq h HIS 622 CO -0.03 0.73 -0.57 1.96 -1.30 0.00 0.00 177.93 178.73 3iaq h GLN 623 N 0.85 0.85 -0.62 5.26 1.08 -1.25 -3.13 115.11 118.16 3iaq h GLN 623 Ca 0.21 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 3iaq h GLN 623 Cb 0.19 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3iaq h GLN 623 CO -0.02 1.19 0.00 1.04 -0.95 0.00 0.00 178.83 180.10 3iaq n GLN 624 N -4.02 1.10 -1.62 1.46 6.02 -0.29 -4.92 117.38 115.11 3iaq n GLN 624 Ca -0.05 -0.10 -0.40 0.00 -0.01 0.00 0.00 57.00 56.44 3iaq n GLN 624 Cb 0.64 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.59 3iaq n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iaq n GLN 625 N -0.15 1.26 0.00 -1.09 6.02 -1.15 -4.83 117.38 117.44 3iaq n GLN 625 Ca 0.01 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 3iaq n GLN 625 Cb 0.18 -2.13 0.28 0.00 1.02 0.00 0.00 30.24 29.59 3iaq n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3iaq n PHE 626 N -0.92 0.00 -4.29 1.08 3.01 -1.26 -4.83 117.46 110.25 3iaq n PHE 626 Ca 0.10 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.31 3iaq n PHE 626 Cb 0.42 -0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.73 3iaq n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3iaq s PHE 627 N -2.00 1.45 0.06 1.38 0.08 -1.26 -0.30 117.98 117.39 3iaq s PHE 627 Ca 0.32 -0.61 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 3iaq s PHE 627 Cb 0.20 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 3iaq s PHE 627 CO 0.32 -0.37 0.21 -0.65 -0.10 0.00 0.00 175.22 174.62 3iaq s GLN 628 N 1.10 3.43 0.06 0.44 -1.52 0.11 -4.90 119.66 118.38 3iaq s GLN 628 Ca -0.06 -0.44 0.05 0.00 -1.95 0.00 0.00 55.36 52.96 3iaq s GLN 628 Cb -0.14 -3.04 -0.03 0.00 -0.22 0.00 0.00 33.01 29.58 3iaq s GLN 628 CO -0.01 0.61 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.43 3iaq s PHE 629 N -1.50 1.27 0.08 0.91 0.40 -1.26 0.07 117.98 117.94 3iaq s PHE 629 Ca 0.35 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 3iaq s PHE 629 Cb -0.13 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 3iaq s PHE 629 CO 0.28 0.06 -0.05 1.03 0.70 0.00 0.00 175.22 177.23 3iaq s ARG 630 N -1.45 0.74 -0.03 0.44 0.52 -0.82 -5.00 118.95 113.35 3iaq s ARG 630 Ca 0.00 -1.26 0.06 0.00 -0.52 0.00 0.00 55.73 54.01 3iaq s ARG 630 Cb -0.09 -0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.30 3iaq s ARG 630 CO 0.02 -0.04 -0.22 -1.17 0.02 0.00 0.00 175.30 173.91 3iaq s LEU 631 N -2.92 2.02 -0.33 2.53 2.96 -1.26 -1.99 118.68 119.69 3iaq s LEU 631 Ca 0.09 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3iaq s LEU 631 Cb 0.05 -1.15 0.16 0.00 0.50 0.00 0.00 46.19 45.74 3iaq s LEU 631 CO -0.06 0.23 0.39 -0.55 -1.32 0.00 0.00 176.35 175.04 3iaq s SER 632 N -0.29 0.78 1.34 3.68 0.15 -0.94 -5.04 113.70 113.39 3iaq s SER 632 Ca 0.02 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.77 3iaq s SER 632 Cb -0.11 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 3iaq s SER 632 CO 0.01 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3iaq n GLY 633 N 4.89 1.60 0.49 9.45 0.00 -1.26 -2.39 105.19 117.97 3iaq n GLY 633 Ca 0.04 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.07 3iaq n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iaq n GLN 634 N 0.47 1.05 -3.69 1.61 6.02 -1.26 -4.97 117.38 116.61 3iaq n GLN 634 Ca 0.00 -1.36 -0.37 0.00 -0.01 0.00 0.00 57.00 55.27 3iaq n GLN 634 Cb 0.00 -1.23 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 3iaq n GLN 634 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3iaq s THR 635 N -0.94 5.16 -0.25 5.09 2.01 -1.01 -0.66 115.64 125.04 3iaq s THR 635 Ca 0.15 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 3iaq s THR 635 Cb 0.10 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3iaq s THR 635 CO 0.14 0.33 0.28 -0.63 -0.69 0.00 0.00 174.62 174.05 3iaq s ILE 636 N 1.25 5.26 -0.33 1.82 1.01 0.16 -2.21 121.20 128.16 3iaq s ILE 636 Ca 0.07 0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.94 3iaq s ILE 636 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3iaq s ILE 636 CO 0.06 0.24 0.48 -0.70 0.00 0.00 0.00 174.94 175.02 3iaq s GLU 637 N 1.63 3.68 -0.23 2.79 2.12 -0.84 -0.57 118.70 127.27 3iaq s GLU 637 Ca 0.12 -0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.22 3iaq s GLU 637 Cb -0.15 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 3iaq s GLU 637 CO 0.09 -0.57 0.12 0.08 -0.54 0.00 0.00 175.26 174.44 3iaq s VAL 638 N 2.30 5.03 -0.13 3.70 1.01 -0.07 -1.94 120.40 130.30 3iaq s VAL 638 Ca 0.18 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3iaq s VAL 638 Cb -0.16 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3iaq s VAL 638 CO 0.12 0.36 -0.17 -0.89 0.00 0.00 0.00 175.10 174.52 3iaq s THR 639 N 1.09 2.60 -0.03 3.92 2.01 0.11 -0.91 115.64 124.43 3iaq s THR 639 Ca 0.06 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 3iaq s THR 639 Cb -0.14 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 3iaq s THR 639 CO 0.04 0.53 0.60 -0.55 -0.69 0.00 0.00 174.62 174.55 3iaq s SER 640 N 0.52 6.94 0.00 3.53 0.15 -0.62 0.09 113.70 124.32 3iaq s SER 640 Ca -0.11 1.12 0.22 0.00 0.70 0.00 0.00 55.95 57.87 3iaq s SER 640 Cb -0.16 -2.36 0.32 0.00 -1.71 0.00 0.00 66.02 62.11 3iaq s SER 640 CO 0.04 0.05 1.30 -0.62 1.20 0.00 0.00 173.24 175.21 3iaq n GLU 641 N 3.06 2.30 -2.18 5.44 1.02 0.59 -3.17 120.64 127.70 3iaq n GLU 641 Ca -0.06 -2.08 -0.39 0.00 -0.02 0.00 0.00 57.16 54.60 3iaq n GLU 641 Cb 0.51 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 3iaq n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3iaq s TYR 642 N -1.54 3.02 -0.13 -0.32 2.02 -1.26 -4.85 117.35 114.29 3iaq s TYR 642 Ca 0.33 1.48 0.16 0.00 -0.37 0.00 0.00 57.07 58.67 3iaq s TYR 642 Cb 0.20 -3.56 -0.24 0.00 -0.40 0.00 0.00 41.96 37.96 3iaq s TYR 642 CO 0.29 -1.66 0.33 1.28 -1.57 0.00 0.00 175.55 174.21 3iaq n LEU 643 N 0.38 0.37 0.00 -1.29 4.77 -1.26 -1.63 117.00 118.34 3iaq n LEU 643 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3iaq n LEU 643 Cb 0.44 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3iaq n LEU 643 CO 0.55 0.44 -0.40 0.49 -1.33 0.00 0.00 177.39 177.15 3iaq n PHE 644 N -2.87 0.00 -3.88 -1.77 3.72 -1.26 -4.81 117.46 106.59 3iaq n PHE 644 Ca -0.26 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.84 3iaq n PHE 644 Cb 1.11 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.61 3iaq n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3iaq s ARG 645 N -1.79 3.47 0.59 -1.08 1.70 -1.26 -4.83 118.95 115.74 3iaq s ARG 645 Ca 0.00 -0.41 -0.09 0.00 -0.47 0.00 0.00 55.73 54.76 3iaq s ARG 645 Cb 0.00 -2.99 -0.03 0.00 -0.57 0.00 0.00 34.95 31.36 3iaq s ARG 645 CO 0.00 0.57 0.96 -1.58 -1.08 0.00 0.00 175.30 174.16 3iaq s HIS 646 N -1.58 3.54 -1.55 5.89 5.65 -1.26 -3.44 115.29 122.54 3iaq s HIS 646 Ca 0.36 1.07 -0.10 0.00 0.25 0.00 0.00 55.06 56.64 3iaq s HIS 646 Cb -0.12 -2.64 -0.08 0.00 -1.18 0.00 0.00 32.58 28.56 3iaq s HIS 646 CO 0.28 -0.64 2.83 -1.13 -0.65 0.00 0.00 174.74 175.43 3iaq n SER 647 N -2.63 8.04 -0.33 9.88 3.41 -0.75 -4.66 113.62 126.59 3iaq n SER 647 Ca 0.04 -2.57 0.14 0.00 -0.26 0.00 0.00 58.87 56.22 3iaq n SER 647 Cb 0.55 -1.52 0.63 0.00 -0.26 0.00 0.00 64.21 63.61 3iaq n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3iaq n ASP 648 N 3.85 1.01 -2.70 4.04 5.68 -1.26 -3.58 116.55 123.59 3iaq n ASP 648 Ca 0.74 -1.38 -0.12 0.00 -0.50 0.00 0.00 54.79 53.53 3iaq n ASP 648 Cb 0.23 -0.01 0.02 0.00 -1.14 0.00 0.00 41.12 40.22 3iaq n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3iaq n ASN 649 N -0.19 1.81 -3.77 -1.12 5.15 -1.26 -5.08 115.26 110.81 3iaq n ASN 649 Ca 0.20 -2.88 -0.13 0.00 -0.60 0.00 0.00 54.58 51.17 3iaq n ASN 649 Cb 0.27 -0.53 -0.13 0.00 -0.53 0.00 0.00 39.78 38.86 3iaq n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3iaq s GLU 650 N -3.10 0.21 0.25 1.20 8.01 -1.23 -4.14 118.70 119.89 3iaq s GLU 650 Ca 0.31 0.38 0.02 0.00 0.01 0.00 0.00 54.97 55.70 3iaq s GLU 650 Cb 0.44 -0.01 -0.05 0.00 -4.31 0.00 0.00 34.13 30.20 3iaq s GLU 650 CO -0.00 -0.10 0.05 -0.48 0.01 0.00 0.00 175.26 174.75 3iaq s LEU 651 N 0.67 1.92 -0.29 1.80 0.05 -0.42 -1.89 118.68 120.52 3iaq s LEU 651 Ca -0.05 -1.32 -0.01 0.00 0.05 0.00 0.00 54.13 52.80 3iaq s LEU 651 Cb -0.06 -0.13 0.05 0.00 -2.05 0.00 0.00 46.19 44.00 3iaq s LEU 651 CO -0.04 -0.64 -0.02 -0.22 -0.55 0.00 0.00 176.35 174.88 3iaq s LEU 652 N -3.32 3.71 0.13 1.48 2.96 0.15 -1.20 118.68 122.59 3iaq s LEU 652 Ca 0.34 -1.20 -0.27 0.00 -0.22 0.00 0.00 54.13 52.78 3iaq s LEU 652 Cb 0.07 -1.69 -0.07 0.00 0.50 0.00 0.00 46.19 45.00 3iaq s LEU 652 CO 0.12 -0.23 0.84 -1.00 -1.32 0.00 0.00 176.35 174.76 3iaq s HIS 653 N 1.26 3.85 0.02 5.38 3.76 -0.37 -1.29 115.29 127.89 3iaq s HIS 653 Ca -0.04 1.67 0.05 0.00 -0.15 0.00 0.00 55.06 56.58 3iaq s HIS 653 Cb -0.19 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.60 3iaq s HIS 653 CO -0.02 0.36 -0.14 1.67 -0.85 0.00 0.00 174.74 175.76 3iaq s TRP 654 N -0.55 1.26 -0.04 1.40 1.48 -0.33 -0.63 118.94 121.53 3iaq s TRP 654 Ca 0.40 -0.30 0.00 0.00 -1.06 0.00 0.00 56.10 55.14 3iaq s TRP 654 Cb -0.23 -0.77 0.03 0.00 -1.16 0.00 0.00 33.47 31.33 3iaq s TRP 654 CO 0.27 0.01 -0.01 1.41 -4.06 0.00 0.00 176.95 174.57 3iaq s MET 655 N -0.78 0.50 -0.19 3.25 1.75 0.51 -1.95 119.30 122.39 3iaq s MET 655 Ca 0.03 0.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.48 3iaq s MET 655 Cb -0.07 -0.66 -0.01 0.00 2.84 0.00 0.00 34.83 36.93 3iaq s MET 655 CO 0.00 -0.14 -0.06 0.08 -0.65 0.00 0.00 175.02 174.25 3iaq s VAL 656 N 1.13 3.36 -0.01 10.11 1.01 -0.18 -0.39 120.40 135.43 3iaq s VAL 656 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3iaq s VAL 656 Cb -0.14 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3iaq s VAL 656 CO -0.02 0.46 -0.02 0.00 0.00 0.00 0.00 175.10 175.52 3iaq s ALA 657 N 1.02 0.33 -0.44 5.51 0.00 -0.69 -0.73 121.76 126.76 3iaq s ALA 657 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 3iaq s ALA 657 Cb -0.15 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3iaq s ALA 657 CO -0.00 0.02 0.88 -1.17 0.00 0.00 0.00 175.76 175.49 3iaq s LEU 658 N 0.36 4.07 -0.65 0.00 2.96 -0.49 -1.03 118.68 123.90 3iaq s LEU 658 Ca -0.04 0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 3iaq s LEU 658 Cb -0.07 -3.14 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3iaq s LEU 658 CO -0.01 -0.96 0.38 0.47 -1.32 0.00 0.00 176.35 174.91 3iaq n ASP 659 N 6.94 -2.45 0.00 3.68 8.00 -0.94 -0.61 116.55 131.17 3iaq n ASP 659 Ca 0.05 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3iaq n ASP 659 Cb 0.48 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 3iaq n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iaq n GLY 660 N -1.52 3.10 3.56 0.44 0.00 -1.26 -4.84 105.19 104.67 3iaq n GLY 660 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3iaq n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaq s LYS 661 N -0.34 3.58 0.25 1.61 1.02 0.22 -4.63 119.74 121.45 3iaq s LYS 661 Ca 0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.63 3iaq s LYS 661 Cb 0.00 -3.85 -0.12 0.00 -0.52 0.00 0.00 37.83 33.34 3iaq s LYS 661 CO 0.00 -0.81 1.62 -2.30 -0.92 0.00 0.00 175.35 172.94 3iaq n PRO 662 N 6.12 2.62 -0.05 -1.68 -0.02 -1.26 -1.39 135.00 139.34 3iaq n PRO 662 Ca -0.01 0.94 -0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3iaq n PRO 662 Cb 0.48 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 3iaq n PRO 662 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3iaq n LEU 663 N 2.91 1.00 -3.69 2.45 -0.00 0.09 -4.89 117.00 114.88 3iaq n LEU 663 Ca 0.12 0.17 -0.14 0.00 -0.00 0.00 0.00 56.01 56.16 3iaq n LEU 663 Cb 0.35 -0.39 -0.08 0.00 -0.00 0.00 0.00 43.42 43.30 3iaq n LEU 663 CO 0.64 0.05 0.15 0.00 -0.00 0.00 0.00 177.39 178.22 3iaq s ALA 664 N -2.26 -1.05 0.04 1.96 0.00 -0.98 -5.03 121.76 114.44 3iaq s ALA 664 Ca -0.16 0.55 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 3iaq s ALA 664 Cb 0.05 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.33 3iaq s ALA 664 CO 0.21 -0.33 0.44 -1.54 0.00 0.00 0.00 175.76 174.53 3iaq s SER 665 N -1.45 -0.32 0.24 0.00 1.04 -1.26 -1.01 113.70 110.94 3iaq s SER 665 Ca -0.11 0.05 -0.21 0.00 0.48 0.00 0.00 55.95 56.16 3iaq s SER 665 Cb -0.03 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.58 3iaq s SER 665 CO 0.04 -0.67 0.87 -0.83 0.98 0.00 0.00 173.24 173.63 3iaq s GLY 666 N -1.96 -0.01 -0.03 7.32 0.00 -0.82 -5.01 107.32 106.81 3iaq s GLY 666 Ca -0.06 -0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3iaq s GLY 666 CO -0.02 0.30 -0.23 -0.54 0.00 0.00 0.00 173.10 172.61 3iaq s GLU 667 N -3.09 2.11 -0.03 2.90 2.02 -1.26 -1.18 118.70 120.16 3iaq s GLU 667 Ca 0.14 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.32 3iaq s GLU 667 Cb -0.04 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.29 3iaq s GLU 667 CO 0.06 0.43 -0.09 0.08 0.02 0.00 0.00 175.26 175.76 3iaq s VAL 668 N -0.34 0.78 0.19 2.63 1.01 -0.41 -4.98 120.40 119.28 3iaq s VAL 668 Ca 0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3iaq s VAL 668 Cb -0.11 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 3iaq s VAL 668 CO 0.01 0.25 1.16 -2.84 0.00 0.00 0.00 175.10 173.68 3iaq s PRO 669 N 0.33 4.53 -0.22 2.72 0.02 -1.26 0.33 135.00 141.45 3iaq s PRO 669 Ca -0.05 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 62.53 3iaq s PRO 669 Cb -0.10 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 3iaq s PRO 669 CO 0.01 -0.02 0.90 -0.51 -0.33 0.00 0.00 177.00 177.04 3iaq s LEU 670 N -0.39 4.11 -0.51 -5.54 1.43 -0.79 -4.82 118.68 112.17 3iaq s LEU 670 Ca 0.51 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.83 3iaq s LEU 670 Cb -0.32 -3.31 0.17 0.00 0.03 0.00 0.00 46.19 42.76 3iaq s LEU 670 CO 0.37 -0.54 0.39 -0.62 0.23 0.00 0.00 176.35 176.18 3iaq s ASP 671 N 1.26 2.59 -0.11 2.29 2.15 -1.26 -4.68 116.67 118.91 3iaq s ASP 671 Ca 0.38 -3.32 0.03 0.00 0.43 0.00 0.00 52.55 50.07 3iaq s ASP 671 Cb -0.16 -0.84 0.01 0.00 -0.30 0.00 0.00 42.92 41.63 3iaq s ASP 671 CO 0.08 -0.14 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.05 3iaq s VAL 672 N -0.43 1.81 0.66 1.11 1.01 -1.26 -4.81 120.40 118.49 3iaq s VAL 672 Ca 0.30 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3iaq s VAL 672 Cb 0.01 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3iaq s VAL 672 CO -0.18 0.50 1.11 0.00 0.00 0.00 0.00 175.10 176.53 3iaq s ALA 673 N 0.66 2.48 0.24 5.51 0.00 -1.26 -1.80 121.76 127.59 3iaq s ALA 673 Ca -0.12 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 3iaq s ALA 673 Cb -0.16 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.52 3iaq s ALA 673 CO 0.03 -1.27 1.56 -0.35 0.00 0.00 0.00 175.76 175.72 3iaq n PRO 674 N -2.46 2.40 -0.39 0.00 -0.04 -1.22 -0.04 135.00 133.25 3iaq n PRO 674 Ca 0.10 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3iaq n PRO 674 Cb 0.52 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 3iaq n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3iaq n GLN 675 N 2.67 0.00 -1.22 0.54 1.13 -0.65 -4.95 117.38 114.91 3iaq n GLN 675 Ca 0.12 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.03 3iaq n GLN 675 Cb 0.33 -3.15 0.10 0.00 0.11 0.00 0.00 30.24 27.63 3iaq n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iaq n GLY 676 N -2.00 -0.87 3.04 1.08 0.00 0.94 -4.69 105.19 102.69 3iaq n GLY 676 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 3iaq n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaq s LYS 677 N -4.46 0.47 -0.05 1.61 1.02 -1.26 -1.58 119.74 115.48 3iaq s LYS 677 Ca 0.41 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.68 3iaq s LYS 677 Cb -0.01 -0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 3iaq s LYS 677 CO 0.28 0.02 -0.04 -1.14 -0.92 0.00 0.00 175.35 173.55 3iaq s GLN 678 N -1.58 0.89 -0.42 1.68 0.74 -0.08 -4.82 119.66 116.06 3iaq s GLN 678 Ca -0.11 -0.10 -0.19 0.00 0.05 0.00 0.00 55.36 55.00 3iaq s GLN 678 Cb -0.10 -0.93 0.02 0.00 1.10 0.00 0.00 33.01 33.10 3iaq s GLN 678 CO -0.00 -0.11 0.55 -0.51 -0.55 0.00 0.00 175.29 174.66 3iaq s LEU 679 N 1.09 4.61 -0.30 3.68 1.43 -1.26 -0.89 118.68 127.04 3iaq s LEU 679 Ca -0.08 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3iaq s LEU 679 Cb -0.14 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3iaq s LEU 679 CO -0.01 -0.66 0.17 -0.63 0.23 0.00 0.00 176.35 175.45 3iaq s ILE 680 N 2.50 4.94 -0.32 -0.59 1.01 0.26 -4.95 121.20 124.05 3iaq s ILE 680 Ca 0.18 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 3iaq s ILE 680 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3iaq s ILE 680 CO 0.16 0.16 0.63 -0.70 0.00 0.00 0.00 174.94 175.19 3iaq s GLU 681 N 1.69 3.83 0.33 2.79 2.56 -1.26 -0.66 118.70 127.96 3iaq s GLU 681 Ca 0.06 0.22 -0.27 0.00 0.00 0.00 0.00 54.97 54.97 3iaq s GLU 681 Cb -0.16 -3.76 -0.09 0.00 2.00 0.00 0.00 34.13 32.12 3iaq s GLU 681 CO 0.08 -0.63 1.08 -0.51 -0.56 0.00 0.00 175.26 174.72 3iaq s LEU 682 N 2.65 4.40 0.52 2.70 1.43 0.17 -5.02 118.68 125.52 3iaq s LEU 682 Ca 0.25 2.18 -0.21 0.00 -1.03 0.00 0.00 54.13 55.32 3iaq s LEU 682 Cb -0.15 -3.84 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 3iaq s LEU 682 CO 0.13 -0.28 1.19 -2.16 0.23 0.00 0.00 176.35 175.47 3iaq s PRO 683 N -1.84 3.43 -0.25 1.29 0.04 -1.26 -4.88 135.00 131.53 3iaq s PRO 683 Ca 0.50 1.82 -0.32 0.00 0.04 0.00 0.00 61.00 63.04 3iaq s PRO 683 Cb -0.28 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 3iaq s PRO 683 CO 0.36 -0.83 2.17 -1.91 0.04 0.00 0.00 177.00 176.82 3iaq n GLU 684 N -0.95 1.64 -2.80 4.56 2.13 -1.26 -4.90 120.64 119.06 3iaq n GLU 684 Ca 0.10 0.47 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 3iaq n GLU 684 Cb 0.48 -2.86 -0.03 0.00 0.27 0.00 0.00 31.44 29.31 3iaq n GLU 684 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3iaq s LEU 685 N 7.38 4.17 -0.13 4.31 1.43 -1.26 -5.01 118.68 129.58 3iaq s LEU 685 Ca 1.03 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 3iaq s LEU 685 Cb -0.59 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3iaq s LEU 685 CO 0.43 -0.47 1.55 -2.84 0.23 0.00 0.00 176.35 175.25 3iaq s PRO 686 N 2.35 4.08 0.26 1.29 0.02 -1.26 -5.00 135.00 136.74 3iaq s PRO 686 Ca 0.42 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 3iaq s PRO 686 Cb -0.17 -3.95 -0.09 0.00 0.02 0.00 0.00 34.50 30.31 3iaq s PRO 686 CO 0.12 -0.95 1.00 -0.65 -0.33 0.00 0.00 177.00 176.19 3iaq s GLN 687 N 4.11 4.75 0.70 5.54 -0.21 -1.26 -5.05 119.66 128.23 3iaq s GLN 687 Ca 0.68 1.60 -0.08 0.00 0.02 0.00 0.00 55.36 57.58 3iaq s GLN 687 Cb -0.28 -3.20 0.04 0.00 1.00 0.00 0.00 33.01 30.57 3iaq s GLN 687 CO 0.26 0.38 1.03 -1.25 -2.12 0.00 0.00 175.29 173.59 3iaq s PRO 688 N -1.36 2.46 -0.14 2.91 0.04 -1.26 -5.03 135.00 132.61 3iaq s PRO 688 Ca 0.43 0.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.22 3iaq s PRO 688 Cb -0.28 -2.13 -0.23 0.00 0.04 0.00 0.00 34.50 31.90 3iaq s PRO 688 CO 0.35 -1.13 0.65 0.93 0.04 0.00 0.00 177.00 177.84 3iaq h GLU 689 N -0.59 0.00 -7.05 4.56 5.08 -2.05 -3.47 114.58 111.06 3iaq h GLU 689 Ca -0.45 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 3iaq h GLU 689 Cb 1.29 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.67 3iaq h GLU 689 CO 0.62 0.92 0.57 -1.54 -1.00 0.00 0.00 179.01 178.58 3iaq s SER 690 N -6.23 5.32 0.78 1.42 1.04 -1.26 -4.98 113.70 109.79 3iaq s SER 690 Ca -0.19 2.65 -0.11 0.00 0.48 0.00 0.00 55.95 58.78 3iaq s SER 690 Cb -0.02 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.54 3iaq s SER 690 CO 0.63 -1.53 1.11 0.00 0.98 0.00 0.00 173.24 174.43 3iaq s ALA 691 N -1.37 2.16 0.00 5.32 0.00 -1.26 -4.91 121.76 121.70 3iaq s ALA 691 Ca 0.72 0.37 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3iaq s ALA 691 Cb -0.38 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3iaq s ALA 691 CO 0.44 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.74 3iaq n GLY 692 N -0.85 0.41 3.37 0.00 0.00 0.12 -4.95 105.19 103.30 3iaq n GLY 692 Ca 0.10 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3iaq n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iaq s GLN 693 N -1.53 3.47 0.16 1.61 2.00 -1.26 -0.54 119.66 123.57 3iaq s GLN 693 Ca 0.00 -0.60 -0.30 0.00 -2.00 0.00 0.00 55.36 52.46 3iaq s GLN 693 Cb 0.00 -2.96 -0.07 0.00 0.80 0.00 0.00 33.01 30.78 3iaq s GLN 693 CO 0.00 -0.03 1.05 -0.51 -0.50 0.00 0.00 175.29 175.30 3iaq s LEU 694 N 1.06 4.50 -0.15 3.68 1.43 -0.57 -2.22 118.68 126.41 3iaq s LEU 694 Ca 0.01 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 3iaq s LEU 694 Cb -0.15 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.50 3iaq s LEU 694 CO 0.00 -0.15 -0.12 0.26 0.23 0.00 0.00 176.35 176.57 3iaq s TRP 695 N -0.22 2.04 0.07 0.29 0.52 -0.19 -1.13 118.94 120.31 3iaq s TRP 695 Ca 0.48 -1.16 -0.22 0.00 0.02 0.00 0.00 56.10 55.22 3iaq s TRP 695 Cb -0.27 -1.52 -0.06 0.00 -1.15 0.00 0.00 33.47 30.47 3iaq s TRP 695 CO 0.33 -0.65 0.65 -1.17 0.02 0.00 0.00 176.95 176.14 3iaq s LEU 696 N 1.53 4.50 -0.05 2.99 2.96 -0.32 -1.70 118.68 128.60 3iaq s LEU 696 Ca 0.04 1.34 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3iaq s LEU 696 Cb -0.13 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.54 3iaq s LEU 696 CO -0.10 0.17 0.01 -0.89 -1.32 0.00 0.00 176.35 174.22 3iaq s THR 697 N -0.69 0.22 0.02 3.68 2.01 0.48 -1.31 115.64 120.05 3iaq s THR 697 Ca 0.32 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.52 3iaq s THR 697 Cb -0.20 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 3iaq s THR 697 CO 0.21 0.20 -0.10 0.68 -0.69 0.00 0.00 174.62 174.91 3iaq s VAL 698 N 1.57 3.36 -0.04 3.82 -7.23 -0.19 -0.36 120.40 121.32 3iaq s VAL 698 Ca -0.02 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3iaq s VAL 698 Cb -0.13 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.39 3iaq s VAL 698 CO -0.03 0.37 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.97 3iaq s ARG 699 N -1.44 0.65 -0.27 4.82 0.52 0.20 -1.68 118.95 121.75 3iaq s ARG 699 Ca 0.16 -0.04 -0.25 0.00 -0.52 0.00 0.00 55.73 55.09 3iaq s ARG 699 Cb -0.11 -0.72 0.00 0.00 0.52 0.00 0.00 34.95 34.64 3iaq s ARG 699 CO 0.07 -0.11 0.86 0.08 0.02 0.00 0.00 175.30 176.22 3iaq s VAL 700 N 0.98 4.77 -0.07 3.52 1.01 0.42 -1.24 120.40 129.79 3iaq s VAL 700 Ca -0.10 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.39 3iaq s VAL 700 Cb -0.14 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3iaq s VAL 700 CO -0.01 -0.19 -0.12 -0.69 0.00 0.00 0.00 175.10 174.10 3iaq s VAL 701 N 3.00 3.28 -0.47 2.92 1.01 -0.34 -1.52 120.40 128.28 3iaq s VAL 701 Ca 0.36 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 3iaq s VAL 701 Cb -0.14 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.96 3iaq s VAL 701 CO 0.10 0.58 0.57 -1.10 0.00 0.00 0.00 175.10 175.25 3iaq s GLN 702 N -0.54 3.14 0.41 2.72 -0.21 -0.09 -1.30 119.66 123.78 3iaq s GLN 702 Ca 0.08 -0.77 0.13 0.00 0.02 0.00 0.00 55.36 54.82 3iaq s GLN 702 Cb -0.12 -4.04 0.85 0.00 1.00 0.00 0.00 33.01 30.71 3iaq s GLN 702 CO 0.02 -1.08 1.92 -1.35 -2.12 0.00 0.00 175.29 172.67 3iaq h PRO 703 N 8.89 0.06 -6.25 2.91 0.11 -1.88 0.19 132.00 136.04 3iaq h PRO 703 Ca -0.27 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.16 3iaq h PRO 703 Cb 1.10 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.06 3iaq h PRO 703 CO 0.90 0.30 -0.67 -0.80 -0.21 0.00 0.00 178.00 177.52 3iaq s ASN 704 N -6.95 4.91 0.76 -2.05 -0.87 -1.26 -4.10 114.94 105.38 3iaq s ASN 704 Ca -0.04 -0.10 -0.13 0.00 -1.57 0.00 0.00 52.86 51.02 3iaq s ASN 704 Cb 0.15 -1.21 0.06 0.00 -0.02 0.00 0.00 41.25 40.23 3iaq s ASN 704 CO 0.72 0.26 1.15 0.00 -2.57 0.00 0.00 177.10 176.66 3iaq s ALA 705 N -1.10 2.08 0.36 0.60 0.00 -1.26 -4.45 121.76 117.99 3iaq s ALA 705 Ca 0.20 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.85 3iaq s ALA 705 Cb -0.11 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3iaq s ALA 705 CO 0.11 -1.92 0.18 0.25 0.00 0.00 0.00 175.76 174.38 3iaq n THR 706 N -3.12 0.00 0.27 0.00 -2.24 0.12 -4.92 114.28 104.38 3iaq n THR 706 Ca 0.12 -2.28 0.12 0.00 -2.27 0.00 0.00 64.05 59.74 3iaq n THR 706 Cb 0.51 0.93 0.74 0.00 -2.10 0.00 0.00 70.33 70.41 3iaq n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaq h ALA 707 N 1.77 1.38 0.00 6.98 0.00 -1.99 -3.28 119.26 124.12 3iaq h ALA 707 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3iaq h ALA 707 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3iaq h ALA 707 CO 0.43 0.13 -1.29 -2.67 0.00 0.00 0.00 179.25 175.85 3iaq n TRP 708 N -3.76 0.00 -4.10 0.00 4.27 -1.26 -5.05 117.44 107.54 3iaq n TRP 708 Ca -0.02 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.48 3iaq n TRP 708 Cb 0.21 -0.16 -0.11 0.00 -1.36 0.00 0.00 31.31 29.89 3iaq n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3iaq s SER 709 N -2.80 0.85 0.42 -0.67 1.04 -1.24 -4.78 113.70 106.52 3iaq s SER 709 Ca -0.02 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 3iaq s SER 709 Cb 0.05 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3iaq s SER 709 CO 0.32 -0.37 0.67 -1.61 0.98 0.00 0.00 173.24 173.22 3iaq s GLU 710 N -2.76 3.42 0.29 4.02 2.02 -1.26 0.13 118.70 124.54 3iaq s GLU 710 Ca 0.00 -0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.54 3iaq s GLU 710 Cb -0.02 -2.52 -0.12 0.00 0.10 0.00 0.00 34.13 31.57 3iaq s GLU 710 CO -0.03 -0.08 1.47 0.00 0.02 0.00 0.00 175.26 176.63 3iaq n ALA 711 N -2.04 1.78 -0.58 5.21 0.00 -1.26 -2.20 120.51 121.42 3iaq n ALA 711 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3iaq n ALA 711 Cb 0.56 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3iaq n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 712 N 1.81 0.78 3.68 0.00 0.00 0.68 -4.96 105.19 107.17 3iaq n GLY 712 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3iaq n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3iaq n HIS 713 N -2.08 1.91 -3.71 1.61 -0.00 -0.94 -4.67 115.22 107.34 3iaq n HIS 713 Ca 0.00 0.53 -0.38 0.00 0.46 0.00 0.00 57.72 58.33 3iaq n HIS 713 Cb 0.00 -2.34 -0.12 0.00 -0.12 0.00 0.00 29.99 27.40 3iaq n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3iaq s ILE 714 N -1.19 4.31 -0.13 3.57 1.01 -1.26 -0.92 121.20 126.59 3iaq s ILE 714 Ca 0.61 -0.50 0.20 0.00 0.00 0.00 0.00 60.65 60.96 3iaq s ILE 714 Cb -0.53 -3.19 -0.19 0.00 0.01 0.00 0.00 42.46 38.56 3iaq s ILE 714 CO 0.58 0.11 0.64 -1.54 0.00 0.00 0.00 174.94 174.73 3iaq n SER 715 N 4.93 0.44 -3.62 3.58 3.41 -0.58 -5.00 113.62 116.78 3iaq n SER 715 Ca -0.14 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 3iaq n SER 715 Cb 0.49 0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 65.35 3iaq n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq s ALA 716 N -3.16 -1.20 0.22 7.33 0.00 -1.24 -4.73 121.76 118.99 3iaq s ALA 716 Ca -0.05 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 3iaq s ALA 716 Cb 0.10 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 3iaq s ALA 716 CO 0.84 -0.45 0.42 1.67 0.00 0.00 0.00 175.76 178.24 3iaq s TRP 717 N -2.23 0.34 -0.03 0.00 -2.14 -1.26 -0.44 118.94 113.18 3iaq s TRP 717 Ca -0.07 -0.69 -0.29 0.00 2.66 0.00 0.00 56.10 57.71 3iaq s TRP 717 Cb -0.01 0.12 0.09 0.00 -3.10 0.00 0.00 33.47 30.56 3iaq s TRP 717 CO -0.00 -0.89 0.75 -1.14 -2.66 0.00 0.00 176.95 173.01 3iaq s GLN 718 N -3.99 0.98 0.07 3.25 2.00 -0.68 -5.00 119.66 116.29 3iaq s GLN 718 Ca 0.20 0.05 0.06 0.00 -2.00 0.00 0.00 55.36 53.67 3iaq s GLN 718 Cb 0.01 0.46 -0.03 0.00 0.80 0.00 0.00 33.01 34.24 3iaq s GLN 718 CO 0.05 -0.34 -0.16 -0.65 -0.50 0.00 0.00 175.29 173.68 3iaq s GLN 719 N -1.83 0.94 0.04 1.67 -0.21 -1.26 -1.03 119.66 117.98 3iaq s GLN 719 Ca -0.05 -0.98 0.01 0.00 0.02 0.00 0.00 55.36 54.35 3iaq s GLN 719 Cb -0.00 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.96 3iaq s GLN 719 CO 0.02 0.24 -0.05 -1.58 -2.12 0.00 0.00 175.29 171.80 3iaq s TRP 720 N -1.16 0.49 -0.00 0.91 0.51 -0.42 -5.01 118.94 114.25 3iaq s TRP 720 Ca 0.01 -0.59 -0.28 0.00 -2.12 0.00 0.00 56.10 53.12 3iaq s TRP 720 Cb -0.10 -0.32 -0.04 0.00 -0.81 0.00 0.00 33.47 32.21 3iaq s TRP 720 CO 0.03 -0.16 0.89 1.03 -0.51 0.00 0.00 176.95 178.23 3iaq s ARG 721 N -1.90 4.54 0.00 4.98 0.52 -1.26 -1.17 118.95 124.66 3iaq s ARG 721 Ca -0.10 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 3iaq s ARG 721 Cb -0.07 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3iaq s ARG 721 CO -0.02 0.03 0.00 1.28 0.02 0.00 0.00 175.30 176.61 3iaq n LEU 722 N 3.68 0.00 -4.77 2.53 4.77 -0.28 -4.91 117.00 118.01 3iaq n LEU 722 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 3iaq n LEU 722 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3iaq n LEU 722 CO 0.50 0.00 0.79 0.00 -1.33 0.00 0.00 177.39 177.35 3iaq s ALA 723 N -2.92 2.72 -0.05 -1.18 0.00 -1.26 -4.75 121.76 114.32 3iaq s ALA 723 Ca 0.00 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3iaq s ALA 723 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3iaq s ALA 723 CO 0.00 -0.78 -0.13 -2.00 0.00 0.00 0.00 175.76 172.86 3iaq s GLU 724 N -3.22 1.56 -0.36 0.00 2.12 -1.26 -1.51 118.70 116.02 3iaq s GLU 724 Ca 0.72 -0.44 -0.09 0.00 0.36 0.00 0.00 54.97 55.53 3iaq s GLU 724 Cb -0.25 -1.33 0.04 0.00 0.26 0.00 0.00 34.13 32.85 3iaq s GLU 724 CO 0.28 0.10 0.17 -0.80 -0.54 0.00 0.00 175.26 174.47 3iaq s ASN 725 N 0.41 5.53 0.14 -1.70 0.01 0.30 -4.97 114.94 114.66 3iaq s ASN 725 Ca -0.09 -1.14 -0.30 0.00 -0.71 0.00 0.00 52.86 50.62 3iaq s ASN 725 Cb -0.13 -1.95 -0.07 0.00 0.41 0.00 0.00 41.25 39.51 3iaq s ASN 725 CO 0.03 -0.38 1.13 -0.76 -1.51 0.00 0.00 177.10 175.61 3iaq s LEU 726 N 1.47 4.45 -0.09 0.60 1.43 -1.26 0.16 118.68 125.43 3iaq s LEU 726 Ca 0.00 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 3iaq s LEU 726 Cb -0.20 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 3iaq s LEU 726 CO 0.04 -0.30 1.53 -0.55 0.23 0.00 0.00 176.35 177.30 3iaq s SER 727 N 0.28 6.75 -0.00 2.29 0.15 -1.26 -4.87 113.70 117.03 3iaq s SER 727 Ca 0.52 2.06 0.14 0.00 0.70 0.00 0.00 55.95 59.37 3iaq s SER 727 Cb -0.29 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.33 3iaq s SER 727 CO 0.33 -0.88 0.59 1.33 1.20 0.00 0.00 173.24 175.82 3iaq n VAL 728 N 5.45 0.00 -2.88 4.45 0.24 -1.26 -4.97 118.33 119.37 3iaq n VAL 728 Ca 0.16 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 3iaq n VAL 728 Cb 0.43 0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 33.75 3iaq n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3iaq s THR 729 N -2.34 4.95 0.36 3.34 -4.23 -1.26 -5.07 115.64 111.40 3iaq s THR 729 Ca 0.05 1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 62.27 3iaq s THR 729 Cb 0.11 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 3iaq s THR 729 CO 0.58 0.19 0.62 -0.76 -0.54 0.00 0.00 174.62 174.71 3iaq s LEU 730 N 1.00 3.92 0.90 4.79 1.02 -1.26 -5.08 118.68 123.96 3iaq s LEU 730 Ca 0.44 0.70 -0.10 0.00 0.02 0.00 0.00 54.13 55.19 3iaq s LEU 730 Cb -0.19 -3.57 0.14 0.00 0.02 0.00 0.00 46.19 42.59 3iaq s LEU 730 CO 0.22 -0.34 1.12 -2.84 0.02 0.00 0.00 176.35 174.54 3iaq s PRO 731 N -4.12 1.17 0.88 1.29 0.02 -1.26 -5.00 135.00 127.97 3iaq s PRO 731 Ca 0.44 1.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.73 3iaq s PRO 731 Cb -0.10 -1.76 0.12 0.00 0.02 0.00 0.00 34.50 32.78 3iaq s PRO 731 CO 0.36 -2.47 1.10 0.00 -0.33 0.00 0.00 177.00 175.65 3iaq s ALA 732 N -2.71 1.61 0.08 -1.55 0.00 -1.26 -4.94 121.76 113.00 3iaq s ALA 732 Ca 0.65 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 3iaq s ALA 732 Cb -0.21 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3iaq s ALA 732 CO 0.58 -2.36 1.78 0.00 0.00 0.00 0.00 175.76 175.75 3iaq s ALA 733 N -2.82 3.70 0.33 0.00 0.00 -1.26 -4.91 121.76 116.81 3iaq s ALA 733 Ca 0.64 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 53.63 3iaq s ALA 733 Cb -0.19 -3.75 -0.11 0.00 0.00 0.00 0.00 23.12 19.06 3iaq s ALA 733 CO 0.57 -1.24 1.54 -1.13 0.00 0.00 0.00 175.76 175.51 3iaq n SER 734 N 5.99 3.82 0.04 0.00 3.41 -1.26 -4.90 113.62 120.71 3iaq n SER 734 Ca 0.17 1.19 0.11 0.00 -0.26 0.00 0.00 58.87 60.08 3iaq n SER 734 Cb 0.40 -1.61 0.47 0.00 -0.26 0.00 0.00 64.21 63.21 3iaq n SER 734 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3iaq n HIS 735 N 1.30 0.30 -3.74 7.33 8.25 -1.26 -4.88 115.22 122.52 3iaq n HIS 735 Ca 0.05 0.10 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 3iaq n HIS 735 Cb 0.38 -0.66 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 3iaq n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iaq n ALA 736 N -1.60 -0.53 -3.75 -1.41 0.00 -1.26 -5.14 120.51 106.82 3iaq n ALA 736 Ca 0.05 -0.94 -0.22 0.00 0.00 0.00 0.00 53.44 52.32 3iaq n ALA 736 Cb 0.29 0.76 -0.18 0.00 0.00 0.00 0.00 19.45 20.32 3iaq n ALA 736 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3iaq s ILE 737 N -2.59 0.31 0.39 0.00 2.07 -1.26 -4.18 121.20 115.93 3iaq s ILE 737 Ca 0.15 0.16 -0.27 0.00 -1.41 0.00 0.00 60.65 59.29 3iaq s ILE 737 Cb -0.01 -0.48 -0.09 0.00 0.13 0.00 0.00 42.46 42.00 3iaq s ILE 737 CO 0.11 0.25 1.34 -2.16 -1.91 0.00 0.00 174.94 172.57 3iaq s PRO 738 N 1.98 4.04 0.01 3.50 0.04 -1.26 -5.00 135.00 138.32 3iaq s PRO 738 Ca 0.05 2.26 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 3iaq s PRO 738 Cb -0.12 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 3iaq s PRO 738 CO -0.05 -0.47 0.31 -1.01 0.04 0.00 0.00 177.00 175.83 3iaq s HIS 739 N -1.21 3.61 -0.09 0.56 3.76 0.02 -4.70 115.29 117.23 3iaq s HIS 739 Ca 0.55 0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 56.15 3iaq s HIS 739 Cb -0.40 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 3iaq s HIS 739 CO 0.53 0.61 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.80 3iaq s LEU 740 N -1.61 3.21 -0.10 0.89 2.96 -1.26 -0.74 118.68 122.02 3iaq s LEU 740 Ca 0.27 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3iaq s LEU 740 Cb -0.14 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3iaq s LEU 740 CO 0.15 0.31 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.46 3iaq s THR 741 N -0.49 1.41 -0.15 3.68 2.01 0.75 -4.98 115.64 117.88 3iaq s THR 741 Ca 0.07 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 3iaq s THR 741 Cb -0.12 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 3iaq s THR 741 CO 0.02 0.42 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.47 3iaq s THR 742 N 0.97 4.10 0.29 -0.82 2.01 -1.26 -1.16 115.64 119.76 3iaq s THR 742 Ca -0.07 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.66 3iaq s THR 742 Cb -0.15 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 3iaq s THR 742 CO -0.01 0.50 0.07 -0.55 -0.69 0.00 0.00 174.62 173.95 3iaq s SER 743 N 0.19 1.82 0.32 3.53 0.15 -0.09 -5.01 113.70 114.60 3iaq s SER 743 Ca -0.01 -1.37 0.04 0.00 0.70 0.00 0.00 55.95 55.32 3iaq s SER 743 Cb -0.13 0.03 0.55 0.00 -1.71 0.00 0.00 66.02 64.76 3iaq s SER 743 CO 0.02 -0.66 1.82 -0.08 1.20 0.00 0.00 173.24 175.55 3iaq h GLU 744 N 2.25 0.48 0.00 5.44 4.81 -2.03 -3.20 114.58 122.33 3iaq h GLU 744 Ca -0.39 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 58.52 3iaq h GLU 744 Cb 1.24 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3iaq h GLU 744 CO 0.65 0.59 -1.46 -1.33 -0.73 0.00 0.00 179.01 176.73 3iaq n MET 745 N -4.22 0.62 -3.88 1.92 2.81 -1.26 -4.75 117.12 108.36 3iaq n MET 745 Ca 0.01 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 56.02 3iaq n MET 745 Cb 0.31 -1.80 -0.11 0.00 -0.71 0.00 0.00 33.22 30.91 3iaq n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3iaq s ASP 746 N -5.81 0.04 -0.15 7.83 1.01 -1.21 0.99 116.67 119.36 3iaq s ASP 746 Ca -0.03 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 3iaq s ASP 746 Cb 0.09 0.20 -0.03 0.00 1.01 0.00 0.00 42.92 44.18 3iaq s ASP 746 CO 0.81 -0.29 -0.03 -0.36 0.21 0.00 0.00 175.17 175.52 3iaq s PHE 747 N -1.11 3.05 -0.09 4.23 0.08 -0.28 -0.92 117.98 122.95 3iaq s PHE 747 Ca -0.12 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.75 3iaq s PHE 747 Cb -0.07 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3iaq s PHE 747 CO 0.01 0.05 -0.10 0.00 -0.10 0.00 0.00 175.22 175.08 3iaq s ILE 749 N 1.12 3.61 -0.05 0.00 1.09 -0.15 -0.18 121.20 126.65 3iaq s ILE 749 Ca -0.06 -0.48 0.04 0.00 -1.10 0.00 0.00 60.65 59.05 3iaq s ILE 749 Cb -0.14 -2.53 -0.00 0.00 -1.06 0.00 0.00 42.46 38.73 3iaq s ILE 749 CO -0.02 0.54 -0.16 -0.70 -0.10 0.00 0.00 174.94 174.50 3iaq s GLU 750 N -0.09 1.77 -0.24 2.79 2.12 0.08 -0.95 118.70 124.18 3iaq s GLU 750 Ca 0.01 -0.57 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 3iaq s GLU 750 Cb -0.13 -1.52 0.08 0.00 0.26 0.00 0.00 34.13 32.82 3iaq s GLU 750 CO 0.03 0.20 0.56 -1.17 -0.54 0.00 0.00 175.26 174.34 3iaq s LEU 751 N 0.14 -0.68 0.00 2.70 2.96 -0.39 -0.80 118.68 122.62 3iaq s LEU 751 Ca -0.06 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3iaq s LEU 751 Cb -0.12 1.92 0.00 0.00 0.50 0.00 0.00 46.19 48.49 3iaq s LEU 751 CO 0.03 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 3iaq n GLY 752 N 4.62 2.85 1.26 7.98 0.00 -1.26 0.28 105.19 120.92 3iaq n GLY 752 Ca -0.18 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3iaq n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iaq n ASN 753 N 4.08 3.74 -4.83 1.61 6.94 -1.26 -4.95 115.26 120.59 3iaq n ASN 753 Ca 0.00 -2.00 -0.36 0.00 -0.02 0.00 0.00 54.58 52.20 3iaq n ASN 753 Cb 0.00 -0.38 -0.07 0.00 -2.36 0.00 0.00 39.78 36.97 3iaq n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3iaq s LYS 754 N -1.22 3.32 -0.06 -3.83 1.02 0.14 -0.78 119.74 118.34 3iaq s LYS 754 Ca 0.44 -0.20 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 3iaq s LYS 754 Cb 0.24 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3iaq s LYS 754 CO 0.33 0.76 0.14 1.03 -0.92 0.00 0.00 175.35 176.68 3iaq s ARG 755 N -1.01 0.11 0.01 1.68 0.52 -0.68 -1.26 118.95 118.32 3iaq s ARG 755 Ca 0.15 0.29 0.09 0.00 -0.52 0.00 0.00 55.73 55.73 3iaq s ARG 755 Cb -0.12 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.25 3iaq s ARG 755 CO 0.04 -0.11 -0.26 -1.58 0.02 0.00 0.00 175.30 173.41 3iaq s TRP 756 N 0.72 2.30 -0.11 -0.53 0.51 -0.13 -0.16 118.94 121.54 3iaq s TRP 756 Ca -0.05 -0.42 -0.01 0.00 -2.12 0.00 0.00 56.10 53.49 3iaq s TRP 756 Cb -0.07 -1.43 0.03 0.00 -0.81 0.00 0.00 33.47 31.19 3iaq s TRP 756 CO -0.03 0.05 -0.03 -1.14 -0.51 0.00 0.00 176.95 175.28 3iaq s GLN 757 N -0.94 1.10 -0.24 4.98 0.74 -0.32 -0.98 119.66 124.00 3iaq s GLN 757 Ca 0.11 -0.18 -0.06 0.00 0.05 0.00 0.00 55.36 55.27 3iaq s GLN 757 Cb -0.10 -1.49 -0.02 0.00 1.10 0.00 0.00 33.01 32.50 3iaq s GLN 757 CO 0.01 -0.34 0.03 -0.06 -0.55 0.00 0.00 175.29 174.38 3iaq s PHE 758 N 1.81 3.04 -0.01 1.67 0.40 0.04 -0.46 117.98 124.47 3iaq s PHE 758 Ca 0.04 -0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 55.46 3iaq s PHE 758 Cb -0.13 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 3iaq s PHE 758 CO -0.07 -0.43 1.15 1.21 0.70 0.00 0.00 175.22 177.78 3iaq s ASN 759 N 1.57 7.12 0.15 1.36 3.84 -0.43 -1.12 114.94 127.42 3iaq s ASN 759 Ca 0.06 1.84 0.24 0.00 0.21 0.00 0.00 52.86 55.21 3iaq s ASN 759 Cb -0.15 -2.57 0.42 0.00 -0.55 0.00 0.00 41.25 38.41 3iaq s ASN 759 CO 0.01 -0.49 1.41 0.03 -2.79 0.00 0.00 177.10 175.27 3iaq h ARG 760 N 7.11 0.00 0.23 0.43 3.08 0.33 0.45 114.38 126.02 3iaq h ARG 760 Ca -0.37 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.34 3iaq h ARG 760 Cb 1.19 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.27 3iaq h ARG 760 CO 0.84 0.00 -1.49 0.37 -1.07 0.00 0.00 179.97 178.62 3iaq h GLN 761 N 0.00 0.49 0.07 0.04 4.15 -1.86 -3.38 115.11 114.62 3iaq h GLN 761 Ca 0.00 -0.84 -0.35 0.00 0.77 0.00 0.00 58.65 58.23 3iaq h GLN 761 Cb 0.76 0.31 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 3iaq h GLN 761 CO 0.00 1.40 -2.01 -1.13 -1.93 0.00 0.00 178.83 175.16 3iaq n SER 762 N -3.68 1.71 0.00 -0.69 3.41 -1.23 -4.81 113.62 108.33 3iaq n SER 762 Ca -0.17 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3iaq n SER 762 Cb 1.09 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3iaq n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iaq n GLY 763 N 1.92 0.56 3.45 5.00 0.00 0.16 -4.72 105.19 111.55 3iaq n GLY 763 Ca -0.30 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 3iaq n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iaq s PHE 764 N -2.00 2.38 -0.21 1.61 0.08 -1.20 -4.93 117.98 113.71 3iaq s PHE 764 Ca 0.00 -0.33 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 3iaq s PHE 764 Cb 0.00 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 3iaq s PHE 764 CO 0.00 0.47 1.92 -1.17 -0.10 0.00 0.00 175.22 176.34 3iaq s LEU 765 N -2.56 3.72 -0.01 -0.37 2.96 -1.26 -1.31 118.68 119.85 3iaq s LEU 765 Ca 0.20 1.79 0.17 0.00 -0.22 0.00 0.00 54.13 56.08 3iaq s LEU 765 Cb -0.09 -3.52 -0.23 0.00 0.50 0.00 0.00 46.19 42.86 3iaq s LEU 765 CO 0.10 -1.58 0.58 -1.54 -1.32 0.00 0.00 176.35 172.59 3iaq n SER 766 N 9.89 0.87 -3.53 3.68 3.41 0.39 -1.17 113.62 127.17 3iaq n SER 766 Ca 0.24 -0.50 -0.14 0.00 -0.26 0.00 0.00 58.87 58.21 3iaq n SER 766 Cb 0.45 1.36 -0.05 0.00 -0.26 0.00 0.00 64.21 65.71 3iaq n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3iaq s GLN 767 N -2.89 0.88 0.00 4.33 2.00 -1.13 -4.53 119.66 118.31 3iaq s GLN 767 Ca 0.01 0.10 -0.02 0.00 -2.00 0.00 0.00 55.36 53.45 3iaq s GLN 767 Cb 0.12 0.41 -0.01 0.00 0.80 0.00 0.00 33.01 34.34 3iaq s GLN 767 CO 0.72 -0.30 0.03 1.41 -0.50 0.00 0.00 175.29 176.65 3iaq s MET 768 N -1.56 0.23 -0.11 1.67 1.75 -1.26 -1.17 119.30 118.84 3iaq s MET 768 Ca -0.05 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.11 3iaq s MET 768 Cb -0.00 0.09 0.02 0.00 2.84 0.00 0.00 34.83 37.77 3iaq s MET 768 CO 0.03 -0.04 -0.13 -1.58 -0.65 0.00 0.00 175.02 172.65 3iaq s TRP 769 N -0.81 1.87 -0.25 4.11 0.51 0.78 -1.15 118.94 123.99 3iaq s TRP 769 Ca -0.09 -0.92 -0.08 0.00 -2.12 0.00 0.00 56.10 52.90 3iaq s TRP 769 Cb -0.05 -1.39 -0.03 0.00 -0.81 0.00 0.00 33.47 31.18 3iaq s TRP 769 CO -0.00 -0.51 0.08 0.42 -0.51 0.00 0.00 176.95 176.43 3iaq s ILE 770 N 1.22 4.46 0.00 2.03 -1.09 -1.07 -1.69 121.20 125.05 3iaq s ILE 770 Ca -0.02 -0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 3iaq s ILE 770 Cb -0.14 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3iaq s ILE 770 CO -0.05 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 3iaq n GLY 771 N 4.83 1.94 0.00 6.18 0.00 0.04 -1.86 105.19 116.32 3iaq n GLY 771 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3iaq n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iaq n ASP 772 N 11.08 1.07 -4.81 1.61 8.00 -1.26 -4.67 116.55 127.57 3iaq n ASP 772 Ca 0.00 -1.18 -0.38 0.00 0.71 0.00 0.00 54.79 53.94 3iaq n ASP 772 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3iaq n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iaq s LYS 773 N -0.18 4.11 0.73 -1.24 -0.14 -0.78 -5.05 119.74 117.19 3iaq s LYS 773 Ca 0.00 0.58 -0.16 0.00 -1.36 0.00 0.00 55.97 55.03 3iaq s LYS 773 Cb 0.00 -3.26 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 3iaq s LYS 773 CO 0.00 0.59 0.72 1.63 -0.76 0.00 0.00 175.35 177.53 3iaq n LYS 774 N 2.03 0.36 0.00 1.68 5.02 -1.26 -2.61 118.16 123.37 3iaq n LYS 774 Ca -0.11 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3iaq n LYS 774 Cb 0.51 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3iaq n LYS 774 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3iaq n GLN 775 N -1.27 3.94 -4.25 1.97 1.13 -0.30 -4.81 117.38 113.78 3iaq n GLN 775 Ca 0.11 -0.03 -0.17 0.00 -1.94 0.00 0.00 57.00 54.97 3iaq n GLN 775 Cb 0.50 -0.36 -0.13 0.00 0.11 0.00 0.00 30.24 30.36 3iaq n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iaq s LEU 776 N -1.14 2.14 -0.06 1.08 1.43 -1.26 -2.27 118.68 118.60 3iaq s LEU 776 Ca 0.00 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3iaq s LEU 776 Cb 0.00 -0.42 -0.10 0.00 0.03 0.00 0.00 46.19 45.70 3iaq s LEU 776 CO 0.00 -0.01 0.06 0.18 0.23 0.00 0.00 176.35 176.81 3iaq n LEU 777 N 2.11 0.00 -4.02 1.79 4.77 0.23 -4.71 117.00 117.17 3iaq n LEU 777 Ca -0.18 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.58 3iaq n LEU 777 Cb 0.56 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.63 3iaq n LEU 777 CO 0.23 0.14 -0.46 -0.89 -1.33 0.00 0.00 177.39 175.08 3iaq s THR 778 N -2.27 0.98 0.67 -5.08 2.01 -1.15 -4.93 115.64 105.87 3iaq s THR 778 Ca -0.04 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 3iaq s THR 778 Cb 0.03 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 3iaq s THR 778 CO 0.31 0.31 0.79 -2.65 -0.69 0.00 0.00 174.62 172.68 3iaq n PRO 779 N 3.50 0.55 -2.16 4.92 -0.02 -1.26 -3.23 135.00 137.30 3iaq n PRO 779 Ca -0.20 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.08 3iaq n PRO 779 Cb 0.53 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3iaq n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iaq s LEU 780 N -1.53 3.74 0.12 2.45 2.96 -0.31 -4.52 118.68 121.59 3iaq s LEU 780 Ca 0.71 1.36 0.06 0.00 -0.22 0.00 0.00 54.13 56.05 3iaq s LEU 780 Cb -0.38 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.74 3iaq s LEU 780 CO 0.52 -1.38 -0.15 -0.13 -1.32 0.00 0.00 176.35 173.89 3iaq s ARG 781 N 4.90 1.04 0.53 1.98 0.52 -0.22 -4.18 118.95 123.52 3iaq s ARG 781 Ca 0.70 -1.21 -0.21 0.00 -0.52 0.00 0.00 55.73 54.48 3iaq s ARG 781 Cb -0.21 -1.01 -0.05 0.00 0.52 0.00 0.00 34.95 34.20 3iaq s ARG 781 CO 0.30 0.20 1.24 -0.51 0.02 0.00 0.00 175.30 176.56 3iaq s ASP 782 N -2.32 5.56 -0.02 0.23 1.11 -1.26 0.00 116.67 119.97 3iaq s ASP 782 Ca 0.08 2.48 -0.00 0.00 0.18 0.00 0.00 52.55 55.29 3iaq s ASP 782 Cb -0.06 -2.61 0.03 0.00 1.07 0.00 0.00 42.92 41.35 3iaq s ASP 782 CO 0.04 -1.35 0.04 -1.58 1.18 0.00 0.00 175.17 173.49 3iaq s GLN 783 N -2.97 -0.03 0.00 8.23 0.74 0.42 -4.77 119.66 121.28 3iaq s GLN 783 Ca 0.71 0.20 0.00 0.00 0.05 0.00 0.00 55.36 56.32 3iaq s GLN 783 Cb -0.33 -0.25 0.01 0.00 1.10 0.00 0.00 33.01 33.54 3iaq s GLN 783 CO 0.38 -0.17 0.89 1.19 -0.55 0.00 0.00 175.29 177.03 3iaq n PHE 784 N 4.20 0.01 -4.31 1.67 3.72 -1.26 -2.05 117.46 119.45 3iaq n PHE 784 Ca -0.28 -0.38 -0.17 0.00 -0.05 0.00 0.00 57.45 56.58 3iaq n PHE 784 Cb 0.50 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.90 3iaq n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3iaq s THR 785 N -0.77 1.43 0.06 4.37 -4.23 -1.26 -2.38 115.64 112.85 3iaq s THR 785 Ca 0.01 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 3iaq s THR 785 Cb 0.00 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 3iaq s THR 785 CO 0.01 -0.62 -0.08 0.00 -0.54 0.00 0.00 174.62 173.39 3iaq s ARG 786 N -3.71 0.63 -0.17 3.99 1.70 -1.26 -4.74 118.95 115.38 3iaq s ARG 786 Ca 0.21 -0.94 -0.31 0.00 -0.47 0.00 0.00 55.73 54.22 3iaq s ARG 786 Cb 0.02 -0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.03 3iaq s ARG 786 CO 0.05 0.04 2.12 0.00 -1.08 0.00 0.00 175.30 176.42 3iaq n ALA 787 N 1.01 1.48 -1.83 7.88 0.00 -1.26 -4.86 120.51 122.93 3iaq n ALA 787 Ca -0.20 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 3iaq n ALA 787 Cb 0.56 -2.75 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 3iaq n ALA 787 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iaq s PRO 788 N 5.62 4.17 1.08 0.00 0.04 -1.26 -0.56 135.00 144.08 3iaq s PRO 788 Ca 0.99 2.48 -0.15 0.00 0.04 0.00 0.00 61.00 64.36 3iaq s PRO 788 Cb -0.50 -3.10 0.23 0.00 0.04 0.00 0.00 34.50 31.17 3iaq s PRO 788 CO 0.42 -0.64 1.11 -0.51 0.04 0.00 0.00 177.00 177.41 3iaq s LEU 789 N 0.66 1.26 0.33 -3.56 1.43 -1.26 -4.62 118.68 112.92 3iaq s LEU 789 Ca 0.69 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 3iaq s LEU 789 Cb -0.46 -2.94 0.59 0.00 0.03 0.00 0.00 46.19 43.40 3iaq s LEU 789 CO 0.36 -3.50 1.90 0.44 0.23 0.00 0.00 176.35 175.78 3iaq h ASP 790 N -2.15 0.59 0.89 2.29 3.32 -1.87 -2.09 116.42 117.40 3iaq h ASP 790 Ca -0.51 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.40 3iaq h ASP 790 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3iaq h ASP 790 CO 0.49 0.58 -0.25 0.78 -1.72 0.00 0.00 179.24 179.13 3iaq h ASN 791 N 0.64 0.00 -0.03 6.45 2.35 -1.85 -1.32 115.58 121.82 3iaq h ASN 791 Ca 0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.70 3iaq h ASN 791 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3iaq h ASN 791 CO -0.01 0.25 -0.69 0.44 -1.65 0.00 0.00 177.43 175.77 3iaq h ASP 792 N 0.00 0.77 0.15 5.81 3.32 -1.69 -3.36 116.42 121.43 3iaq h ASP 792 Ca -0.00 -0.47 -0.22 0.00 0.02 0.00 0.00 57.03 56.35 3iaq h ASP 792 Cb 0.76 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 40.10 3iaq h ASP 792 CO 0.03 1.24 -1.02 0.40 -1.72 0.00 0.00 179.24 178.17 3iaq h ILE 793 N 0.47 1.39 0.00 0.35 2.04 -1.31 -0.94 117.51 119.51 3iaq h ILE 793 Ca -0.03 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.29 3iaq h ILE 793 Cb 1.29 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.47 3iaq h ILE 793 CO 0.14 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.63 3iaq n GLY 794 N 1.69 2.23 0.79 5.37 0.00 -0.51 -2.68 105.19 112.08 3iaq n GLY 794 Ca -0.16 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.59 3iaq n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iaq n VAL 795 N 0.00 0.05 -1.90 1.61 0.24 -1.26 -4.84 118.33 112.23 3iaq n VAL 795 Ca 0.00 -0.43 -0.40 0.00 -2.04 0.00 0.00 64.34 61.47 3iaq n VAL 795 Cb 0.00 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3iaq n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3iaq s SER 796 N -1.94 6.20 0.21 -1.34 0.15 -1.09 -4.83 113.70 111.06 3iaq s SER 796 Ca 0.33 2.86 -0.04 0.00 0.70 0.00 0.00 55.95 59.79 3iaq s SER 796 Cb 0.20 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 3iaq s SER 796 CO 0.31 -0.95 0.22 -1.61 1.20 0.00 0.00 173.24 172.41 3iaq s GLU 797 N -2.24 1.28 0.16 5.44 2.02 -0.17 -4.92 118.70 120.27 3iaq s GLU 797 Ca 0.57 -1.51 -0.15 0.00 0.02 0.00 0.00 54.97 53.90 3iaq s GLU 797 Cb -0.43 0.32 0.04 0.00 0.10 0.00 0.00 34.13 34.17 3iaq s GLU 797 CO 0.56 -0.45 1.82 0.00 0.02 0.00 0.00 175.26 177.21 3iaq h ALA 798 N 2.53 0.57 -0.10 5.21 0.00 -2.01 -2.94 119.26 122.53 3iaq h ALA 798 Ca -0.33 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 3iaq h ALA 798 Cb 1.25 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3iaq h ALA 798 CO 0.49 -0.00 -0.82 1.79 0.00 0.00 0.00 179.25 180.70 3iaq h THR 799 N 0.59 1.31 -3.11 0.00 1.35 -2.01 -3.41 112.91 107.64 3iaq h THR 799 Ca 0.17 -2.10 -0.61 0.00 -0.55 0.00 0.00 66.41 63.31 3iaq h THR 799 Cb -0.04 2.12 -0.40 0.00 -1.73 0.00 0.00 68.15 68.09 3iaq h THR 799 CO -0.05 0.65 -0.73 -0.60 -0.25 0.00 0.00 175.52 174.54 3iaq s ARG 800 N -3.60 1.28 -0.00 4.72 3.52 -1.15 -5.11 118.95 118.61 3iaq s ARG 800 Ca -0.09 -1.91 -0.30 0.00 -0.13 0.00 0.00 55.73 53.31 3iaq s ARG 800 Cb 0.09 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3iaq s ARG 800 CO 0.89 -1.11 1.02 0.42 -0.81 0.00 0.00 175.30 175.70 3iaq s ILE 801 N 0.53 4.74 -0.54 4.11 -1.09 -1.12 -1.00 121.20 126.82 3iaq s ILE 801 Ca 0.16 1.97 -0.14 0.00 -2.23 0.00 0.00 60.65 60.41 3iaq s ILE 801 Cb -0.23 -4.26 0.13 0.00 -1.58 0.00 0.00 42.46 36.52 3iaq s ILE 801 CO -0.04 0.14 0.47 -0.62 -1.23 0.00 0.00 174.94 173.66 3iaq s ASP 802 N 1.03 6.07 0.61 3.58 2.15 -1.26 -4.92 116.67 123.93 3iaq s ASP 802 Ca 0.53 -1.91 0.38 0.00 0.43 0.00 0.00 52.55 51.98 3iaq s ASP 802 Cb -0.22 -2.15 1.97 0.00 -0.30 0.00 0.00 42.92 42.22 3iaq s ASP 802 CO 0.27 -0.78 2.23 1.55 -0.17 0.00 0.00 175.17 178.26 3iaq h PRO 803 N 8.66 0.00 0.00 4.34 0.13 -1.96 -2.49 132.00 140.68 3iaq h PRO 803 Ca -0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 3iaq h PRO 803 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3iaq h PRO 803 CO 0.96 0.02 -0.50 -0.97 -0.23 0.00 0.00 178.00 177.29 3iaq h ASN 804 N 0.00 0.00 -4.07 1.44 -1.24 -1.97 -3.36 115.58 106.38 3iaq h ASN 804 Ca -0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 3iaq h ASN 804 Cb 0.17 0.00 0.14 0.00 0.73 0.00 0.00 38.32 39.36 3iaq h ASN 804 CO 0.00 0.50 0.57 0.00 -1.29 0.00 0.00 177.43 177.21 3iaq s ALA 805 N -3.33 2.67 0.14 1.57 0.00 -0.94 -4.74 121.76 117.13 3iaq s ALA 805 Ca 0.01 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.05 3iaq s ALA 805 Cb 0.10 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3iaq s ALA 805 CO 0.72 -1.41 1.71 -1.49 0.00 0.00 0.00 175.76 175.29 3iaq h TRP 806 N 1.15 -0.05 -0.83 0.00 4.06 -1.81 -2.30 115.95 116.17 3iaq h TRP 806 Ca -0.51 0.02 0.08 0.00 2.06 0.00 0.00 58.89 60.54 3iaq h TRP 806 Cb 1.31 0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 29.48 3iaq h TRP 806 CO 0.45 -0.06 0.54 -0.24 -3.56 0.00 0.00 178.44 175.57 3iaq h VAL 807 N 0.05 1.00 -0.04 1.49 3.04 -1.50 -0.63 116.25 119.67 3iaq h VAL 807 Ca 0.13 -0.29 -0.20 0.00 -1.01 0.00 0.00 66.70 65.32 3iaq h VAL 807 Cb 0.17 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 29.52 3iaq h VAL 807 CO -0.23 0.16 -0.84 -0.33 -1.01 0.00 0.00 177.57 175.32 3iaq h GLU 808 N 0.85 0.39 -0.49 4.17 4.39 -1.77 -1.12 114.58 121.00 3iaq h GLU 808 Ca 0.37 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3iaq h GLU 808 Cb 0.34 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3iaq h GLU 808 CO -0.14 1.03 0.22 0.00 -1.16 0.00 0.00 179.01 178.96 3iaq h ARG 809 N 0.24 0.72 -0.14 2.33 3.08 -0.74 0.14 114.38 120.02 3iaq h ARG 809 Ca -0.05 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3iaq h ARG 809 Cb 1.45 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3iaq h ARG 809 CO 0.14 0.63 0.02 -1.49 -1.07 0.00 0.00 179.97 178.20 3iaq h TRP 810 N 0.66 0.24 0.12 3.04 6.55 -1.13 -1.23 115.95 124.19 3iaq h TRP 810 Ca 0.17 -0.03 0.02 0.00 0.95 0.00 0.00 58.89 60.00 3iaq h TRP 810 Cb 0.15 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 28.35 3iaq h TRP 810 CO -0.00 0.40 -0.36 0.87 -1.05 0.00 0.00 178.44 178.30 3iaq h LYS 811 N 0.01 -0.57 -0.34 0.49 1.57 -1.07 -1.14 116.57 115.51 3iaq h LYS 811 Ca 0.04 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3iaq h LYS 811 Cb 0.29 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3iaq h LYS 811 CO 0.00 -0.38 0.01 0.00 -0.57 0.00 0.00 179.45 178.51 3iaq h ALA 812 N -0.01 1.38 0.00 3.86 0.00 -0.73 -0.44 119.26 123.32 3iaq h ALA 812 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iaq h ALA 812 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3iaq h ALA 812 CO -0.22 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3iaq n ALA 813 N -2.48 1.89 -0.34 0.00 0.00 -0.47 -4.90 120.51 114.21 3iaq n ALA 813 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3iaq n ALA 813 Cb 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3iaq n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 814 N 0.49 0.82 0.32 0.00 0.00 -0.17 -4.86 105.19 101.78 3iaq n GLY 814 Ca 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3iaq n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iaq h HIS 815 N 0.00 0.95 0.00 1.61 3.86 -1.43 -0.39 115.15 119.75 3iaq h HIS 815 Ca 0.00 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3iaq h HIS 815 Cb 0.00 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 3iaq h HIS 815 CO 0.00 0.39 -0.17 1.88 0.86 0.00 0.00 177.93 180.89 3iaq h TYR 816 N 0.87 0.00 -0.01 2.45 0.05 -1.86 -3.29 116.97 115.18 3iaq h TYR 816 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 3iaq h TYR 816 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3iaq h TYR 816 CO -0.04 0.17 0.00 0.00 -1.05 0.00 0.00 178.16 177.24 3iaq n GLN 817 N -3.21 1.20 -1.81 4.88 10.64 -1.04 -5.03 117.38 123.02 3iaq n GLN 817 Ca 0.02 -1.07 -0.41 0.00 -1.83 0.00 0.00 57.00 53.70 3iaq n GLN 817 Cb 0.50 -1.01 -0.02 0.00 -0.86 0.00 0.00 30.24 28.85 3iaq n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3iaq s ALA 818 N -0.56 3.73 -0.06 2.61 0.00 -0.18 -5.00 121.76 122.29 3iaq s ALA 818 Ca 0.01 1.54 0.03 0.00 0.00 0.00 0.00 51.96 53.54 3iaq s ALA 818 Cb 0.01 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3iaq s ALA 818 CO 0.01 -0.96 -0.14 -1.21 0.00 0.00 0.00 175.76 173.46 3iaq s GLU 819 N -0.56 2.61 -0.38 0.00 2.02 -1.18 -4.86 118.70 116.34 3iaq s GLU 819 Ca 0.62 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 3iaq s GLU 819 Cb -0.47 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3iaq s GLU 819 CO 0.48 0.58 1.48 0.00 0.02 0.00 0.00 175.26 177.82 3iaq s ALA 820 N -0.62 3.04 -0.15 5.21 0.00 -1.26 -3.39 121.76 124.58 3iaq s ALA 820 Ca 0.09 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 3iaq s ALA 820 Cb -0.11 -3.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 3iaq s ALA 820 CO 0.01 -2.39 0.59 0.00 0.00 0.00 0.00 175.76 173.97 3iaq s ALA 821 N 5.62 3.49 0.03 0.00 0.00 0.66 -4.92 121.76 126.64 3iaq s ALA 821 Ca 0.65 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 3iaq s ALA 821 Cb -0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3iaq s ALA 821 CO 0.32 -0.32 1.01 -1.17 0.00 0.00 0.00 175.76 175.61 3iaq s LEU 822 N 1.35 4.39 -0.13 0.00 2.96 -1.26 -0.50 118.68 125.49 3iaq s LEU 822 Ca 0.29 1.74 0.07 0.00 -0.22 0.00 0.00 54.13 56.00 3iaq s LEU 822 Cb -0.16 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 3iaq s LEU 822 CO 0.12 -0.27 -0.02 0.18 -1.32 0.00 0.00 176.35 175.04 3iaq n LEU 823 N 3.74 1.03 -3.75 -0.68 4.77 0.32 -4.94 117.00 117.48 3iaq n LEU 823 Ca 0.06 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3iaq n LEU 823 Cb 0.50 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3iaq n LEU 823 CO 0.52 0.45 0.03 -1.58 -1.33 0.00 0.00 177.39 175.48 3iaq s GLN 824 N -2.29 0.43 -0.29 3.23 0.74 -1.05 -4.92 119.66 115.52 3iaq s GLN 824 Ca -0.11 0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.82 3iaq s GLN 824 Cb 0.04 0.21 0.19 0.00 1.10 0.00 0.00 33.01 34.55 3iaq s GLN 824 CO 0.43 -0.05 0.56 0.00 -0.55 0.00 0.00 175.29 175.68 3iaq s THR 826 N 2.79 1.30 -0.06 0.00 -4.23 -0.35 -5.00 115.64 110.09 3iaq s THR 826 Ca 0.13 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3iaq s THR 826 Cb -0.12 -1.90 0.02 0.00 1.34 0.00 0.00 72.50 71.84 3iaq s THR 826 CO -0.24 -0.71 -0.10 0.00 -0.54 0.00 0.00 174.62 173.03 3iaq s ALA 827 N -3.25 1.09 -0.06 3.99 0.00 -1.26 -1.89 121.76 120.39 3iaq s ALA 827 Ca 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3iaq s ALA 827 Cb 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3iaq s ALA 827 CO 0.02 0.08 -0.16 -0.51 0.00 0.00 0.00 175.76 175.19 3iaq s ASP 828 N 0.74 2.09 -0.38 0.00 1.11 -0.38 -4.98 116.67 114.87 3iaq s ASP 828 Ca -0.14 -0.35 -0.20 0.00 0.18 0.00 0.00 52.55 52.04 3iaq s ASP 828 Cb -0.15 -0.80 0.01 0.00 1.07 0.00 0.00 42.92 43.05 3iaq s ASP 828 CO 0.03 0.10 0.62 -0.89 1.18 0.00 0.00 175.17 176.20 3iaq s THR 829 N 0.35 4.89 0.12 -1.27 2.01 -1.26 -0.14 115.64 120.34 3iaq s THR 829 Ca -0.10 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 3iaq s THR 829 Cb -0.14 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.30 3iaq s THR 829 CO 0.04 -0.38 0.16 0.18 -0.69 0.00 0.00 174.62 173.93 3iaq n LEU 830 N 6.05 0.00 0.20 4.42 4.77 0.14 -5.00 117.00 127.58 3iaq n LEU 830 Ca -0.02 -0.25 0.09 0.00 -0.03 0.00 0.00 56.01 55.81 3iaq n LEU 830 Cb 0.48 -0.12 0.22 0.00 -2.33 0.00 0.00 43.42 41.67 3iaq n LEU 830 CO 0.50 -0.60 0.71 0.00 -1.33 0.00 0.00 177.39 176.67 3iaq h ALA 831 N -1.25 0.89 0.00 -1.18 0.00 -2.02 -3.36 119.26 112.34 3iaq h ALA 831 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iaq h ALA 831 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iaq h ALA 831 CO 0.05 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 3iaq n ASP 832 N -3.19 0.08 -3.80 0.00 5.75 -1.26 -5.00 116.55 109.12 3iaq n ASP 832 Ca 0.02 -1.03 -0.09 0.00 -0.01 0.00 0.00 54.79 53.69 3iaq n ASP 832 Cb 0.56 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 3iaq n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iaq s ALA 833 N -0.03 -0.96 -0.04 2.12 0.00 -1.26 -2.29 121.76 119.30 3iaq s ALA 833 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3iaq s ALA 833 Cb 0.00 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 3iaq s ALA 833 CO 0.00 -0.89 -0.06 0.08 0.00 0.00 0.00 175.76 174.89 3iaq s VAL 834 N -3.91 3.73 -0.24 0.00 1.01 -0.28 0.24 120.40 120.96 3iaq s VAL 834 Ca 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3iaq s VAL 834 Cb -0.03 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.84 3iaq s VAL 834 CO 0.02 0.51 -0.10 -0.22 0.00 0.00 0.00 175.10 175.31 3iaq s LEU 835 N -1.08 3.05 -0.22 3.92 2.96 0.80 -1.55 118.68 126.56 3iaq s LEU 835 Ca 0.15 -1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 52.65 3iaq s LEU 835 Cb -0.11 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3iaq s LEU 835 CO 0.04 -0.19 0.39 -0.63 -1.32 0.00 0.00 176.35 174.64 3iaq s ILE 836 N 1.21 5.19 -0.12 6.68 -1.09 0.01 -1.25 121.20 131.83 3iaq s ILE 836 Ca -0.07 0.65 0.02 0.00 -2.23 0.00 0.00 60.65 59.02 3iaq s ILE 836 Cb -0.19 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 3iaq s ILE 836 CO -0.06 0.22 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.80 3iaq s THR 837 N 1.56 2.55 0.20 2.92 2.01 -0.79 0.66 115.64 124.75 3iaq s THR 837 Ca 0.17 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.39 3iaq s THR 837 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3iaq s THR 837 CO 0.08 0.54 -0.06 0.42 -0.69 0.00 0.00 174.62 174.91 3iaq s THR 838 N 0.45 1.20 -0.08 -0.82 -4.23 -0.34 -1.21 115.64 110.62 3iaq s THR 838 Ca -0.13 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.25 3iaq s THR 838 Cb -0.17 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.59 3iaq s THR 838 CO 0.06 -0.53 0.19 0.00 -0.54 0.00 0.00 174.62 173.80 3iaq s ALA 839 N -3.31 -0.46 0.06 3.99 0.00 -0.41 -1.50 121.76 120.12 3iaq s ALA 839 Ca 0.23 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.86 3iaq s ALA 839 Cb 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3iaq s ALA 839 CO 0.05 -0.12 -0.12 -1.01 0.00 0.00 0.00 175.76 174.56 3iaq s HIS 840 N 0.45 1.05 -0.10 0.00 3.76 -0.46 -0.52 115.29 119.47 3iaq s HIS 840 Ca -0.03 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 3iaq s HIS 840 Cb -0.04 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.04 3iaq s HIS 840 CO -0.02 0.02 -0.23 0.00 -0.85 0.00 0.00 174.74 173.65 3iaq s ALA 841 N -1.18 2.10 -0.23 -1.40 0.00 0.35 -0.99 121.76 120.41 3iaq s ALA 841 Ca -0.03 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 3iaq s ALA 841 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3iaq s ALA 841 CO 0.02 0.27 0.27 -1.58 0.00 0.00 0.00 175.76 174.74 3iaq s TRP 842 N 0.37 3.33 0.07 0.00 0.51 0.16 -0.24 118.94 123.14 3iaq s TRP 842 Ca -0.18 0.39 0.05 0.00 -2.12 0.00 0.00 56.10 54.23 3iaq s TRP 842 Cb -0.18 -2.40 -0.03 0.00 -0.81 0.00 0.00 33.47 30.06 3iaq s TRP 842 CO 0.08 0.01 -0.13 -0.65 -0.51 0.00 0.00 176.95 175.75 3iaq s GLN 843 N 1.26 0.76 -0.10 4.98 -0.21 -1.22 -0.46 119.66 124.67 3iaq s GLN 843 Ca 0.13 -0.92 -0.04 0.00 0.02 0.00 0.00 55.36 54.55 3iaq s GLN 843 Cb -0.14 -0.72 0.05 0.00 1.00 0.00 0.00 33.01 33.20 3iaq s GLN 843 CO 0.06 0.16 0.21 -1.58 -2.12 0.00 0.00 175.29 172.02 3iaq s HIS 844 N -1.31 -0.29 -1.57 0.91 2.46 -0.46 -3.13 115.29 111.90 3iaq s HIS 844 Ca -0.04 0.75 -0.11 0.00 0.47 0.00 0.00 55.06 56.13 3iaq s HIS 844 Cb -0.10 -0.12 0.09 0.00 -0.13 0.00 0.00 32.58 32.33 3iaq s HIS 844 CO 0.02 -0.28 0.69 1.04 -2.47 0.00 0.00 174.74 173.74 3iaq n GLN 845 N 5.05 -3.61 -0.93 2.88 6.02 -1.26 -1.44 117.38 124.08 3iaq n GLN 845 Ca -0.11 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 3iaq n GLN 845 Cb 0.50 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.80 3iaq n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iaq n GLY 846 N -1.65 0.46 3.17 1.08 0.00 -1.26 -5.04 105.19 101.95 3iaq n GLY 846 Ca -0.07 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3iaq n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iaq s LYS 847 N -1.20 3.02 -0.24 1.61 2.47 -0.52 -5.10 119.74 119.78 3iaq s LYS 847 Ca 0.00 -0.86 -0.25 0.00 -1.56 0.00 0.00 55.97 53.31 3iaq s LYS 847 Cb 0.00 -2.43 -0.00 0.00 -1.46 0.00 0.00 37.83 33.94 3iaq s LYS 847 CO 0.00 -0.01 0.85 0.99 0.16 0.00 0.00 175.35 177.34 3iaq s THR 848 N 0.79 4.83 -0.25 3.43 2.01 -1.26 -1.36 115.64 123.83 3iaq s THR 848 Ca -0.08 1.61 -0.16 0.00 0.31 0.00 0.00 61.69 63.38 3iaq s THR 848 Cb -0.16 -4.13 -0.11 0.00 0.01 0.00 0.00 72.50 68.11 3iaq s THR 848 CO -0.01 -0.07 -0.28 0.18 -0.69 0.00 0.00 174.62 173.75 3iaq n LEU 849 N 5.97 1.94 -4.05 4.42 4.77 0.39 -4.71 117.00 125.72 3iaq n LEU 849 Ca 0.06 0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 3iaq n LEU 849 Cb 0.47 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 3iaq n LEU 849 CO 0.48 0.34 -0.43 -0.36 -1.33 0.00 0.00 177.39 176.08 3iaq s PHE 850 N -2.55 0.87 -0.09 -1.77 0.08 -1.20 -1.41 117.98 111.90 3iaq s PHE 850 Ca -0.35 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.51 3iaq s PHE 850 Cb 0.11 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 3iaq s PHE 850 CO 0.48 -0.01 -0.22 0.42 -0.10 0.00 0.00 175.22 175.79 3iaq s ILE 851 N -0.48 2.27 -0.24 0.64 1.01 -0.46 0.39 121.20 124.34 3iaq s ILE 851 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3iaq s ILE 851 Cb -0.05 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.60 3iaq s ILE 851 CO 0.00 0.56 -0.13 -0.55 0.00 0.00 0.00 174.94 174.82 3iaq s SER 852 N 0.15 4.07 -0.22 3.58 0.15 -0.16 -0.57 113.70 120.70 3iaq s SER 852 Ca -0.12 -1.19 -0.08 0.00 0.70 0.00 0.00 55.95 55.26 3iaq s SER 852 Cb -0.16 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 3iaq s SER 852 CO 0.07 -0.15 0.08 -0.13 1.20 0.00 0.00 173.24 174.31 3iaq s ARG 853 N 1.17 3.86 0.12 5.44 0.52 -0.37 -1.35 118.95 128.34 3iaq s ARG 853 Ca -0.05 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 3iaq s ARG 853 Cb -0.18 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 3iaq s ARG 853 CO -0.07 0.05 -0.17 0.15 0.02 0.00 0.00 175.30 175.28 3iaq s LYS 854 N 0.99 1.08 -0.05 3.54 1.02 -0.56 -0.69 119.74 125.07 3iaq s LYS 854 Ca 0.04 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 54.84 3iaq s LYS 854 Cb -0.14 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.06 3iaq s LYS 854 CO 0.03 0.24 -0.10 0.95 -0.92 0.00 0.00 175.35 175.55 3iaq s THR 855 N -1.74 0.94 -0.21 2.17 -4.23 -0.46 -1.19 115.64 110.91 3iaq s THR 855 Ca 0.08 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3iaq s THR 855 Cb -0.07 -0.86 -0.00 0.00 1.34 0.00 0.00 72.50 72.90 3iaq s THR 855 CO 0.04 0.30 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.05 3iaq s TYR 856 N 0.53 2.93 -0.19 3.99 1.51 0.21 -0.62 117.35 125.71 3iaq s TYR 856 Ca -0.10 -1.03 -0.02 0.00 -1.01 0.00 0.00 57.07 54.91 3iaq s TYR 856 Cb -0.13 -2.08 -0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3iaq s TYR 856 CO 0.02 -0.58 -0.10 0.50 -1.11 0.00 0.00 175.55 174.28 3iaq s ARG 857 N 1.45 3.27 -0.27 -0.62 3.52 -0.22 -0.81 118.95 125.27 3iaq s ARG 857 Ca 0.06 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 3iaq s ARG 857 Cb -0.14 -2.81 0.07 0.00 -1.56 0.00 0.00 34.95 30.51 3iaq s ARG 857 CO -0.05 -0.12 -0.07 0.42 -0.81 0.00 0.00 175.30 174.68 3iaq s ILE 858 N 1.20 1.99 0.33 4.11 1.01 -0.59 -0.16 121.20 129.08 3iaq s ILE 858 Ca 0.02 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.10 3iaq s ILE 858 Cb -0.14 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.18 3iaq s ILE 858 CO -0.04 -0.14 0.44 -0.90 0.00 0.00 0.00 174.94 174.29 3iaq n ASP 859 N 4.48 1.25 0.00 3.58 5.68 -1.17 -1.12 116.55 129.25 3iaq n ASP 859 Ca -0.11 -1.88 0.09 0.00 -0.50 0.00 0.00 54.79 52.39 3iaq n ASP 859 Cb 0.43 -0.22 0.53 0.00 -1.14 0.00 0.00 41.12 40.71 3iaq n ASP 859 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iaq n GLY 860 N 1.03 -0.66 0.11 6.12 0.00 -0.97 -2.45 105.19 108.37 3iaq n GLY 860 Ca 0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3iaq n GLY 860 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iaq h SER 861 N 0.00 0.29 0.00 1.61 4.64 -1.90 -3.36 113.55 114.83 3iaq h SER 861 Ca 0.00 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3iaq h SER 861 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3iaq h SER 861 CO 0.00 1.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 3iaq n GLY 862 N 1.71 1.65 3.88 -0.77 0.00 -1.02 -5.09 105.19 105.54 3iaq n GLY 862 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3iaq n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iaq s GLN 863 N -0.08 3.40 -0.30 1.61 -0.21 -1.26 -4.59 119.66 118.23 3iaq s GLN 863 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 3iaq s GLN 863 Cb 0.00 -3.12 0.04 0.00 1.00 0.00 0.00 33.01 30.93 3iaq s GLN 863 CO 0.00 0.73 0.02 1.41 -2.12 0.00 0.00 175.29 175.32 3iaq s MET 864 N -1.44 2.60 -0.51 2.91 -2.45 -0.04 -3.03 119.30 117.34 3iaq s MET 864 Ca 0.20 -1.16 -0.19 0.00 -1.25 0.00 0.00 55.69 53.29 3iaq s MET 864 Cb -0.12 -3.22 0.06 0.00 1.25 0.00 0.00 34.83 32.79 3iaq s MET 864 CO 0.11 -0.58 0.63 0.00 1.05 0.00 0.00 175.02 176.23 3iaq s ALA 865 N 1.32 3.38 -0.09 4.11 0.00 0.78 -0.24 121.76 131.02 3iaq s ALA 865 Ca -0.03 -1.74 -0.17 0.00 0.00 0.00 0.00 51.96 50.03 3iaq s ALA 865 Cb -0.19 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3iaq s ALA 865 CO -0.00 -2.02 0.44 0.42 0.00 0.00 0.00 175.76 174.60 3iaq s ILE 866 N 2.65 5.15 -0.19 0.00 1.01 0.95 -1.06 121.20 129.71 3iaq s ILE 866 Ca 0.15 0.88 0.01 0.00 0.00 0.00 0.00 60.65 61.69 3iaq s ILE 866 Cb -0.19 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.55 3iaq s ILE 866 CO 0.12 0.40 -0.10 -0.89 0.00 0.00 0.00 174.94 174.47 3iaq s THR 867 N 0.14 1.63 -0.10 2.92 2.01 0.21 -1.12 115.64 121.32 3iaq s THR 867 Ca 0.24 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3iaq s THR 867 Cb -0.15 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 3iaq s THR 867 CO 0.10 0.19 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.43 3iaq s VAL 868 N 1.41 3.35 -0.16 3.82 1.01 0.06 -1.36 120.40 128.52 3iaq s VAL 868 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3iaq s VAL 868 Cb -0.16 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.88 3iaq s VAL 868 CO -0.08 0.55 0.03 -1.81 0.00 0.00 0.00 175.10 173.78 3iaq s ASP 869 N -0.12 2.53 -0.09 3.32 1.11 0.13 -1.61 116.67 121.93 3iaq s ASP 869 Ca -0.00 -0.61 0.01 0.00 0.18 0.00 0.00 52.55 52.13 3iaq s ASP 869 Cb -0.13 -0.55 -0.02 0.00 1.07 0.00 0.00 42.92 43.29 3iaq s ASP 869 CO 0.03 -0.27 -0.12 -0.69 1.18 0.00 0.00 175.17 175.30 3iaq s VAL 870 N 1.89 3.23 -0.18 -1.27 1.01 0.43 -1.23 120.40 124.29 3iaq s VAL 870 Ca 0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 3iaq s VAL 870 Cb -0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3iaq s VAL 870 CO -0.07 0.56 0.02 -1.61 0.00 0.00 0.00 175.10 174.00 3iaq s GLU 871 N -0.23 3.83 -0.13 2.72 2.02 0.27 -0.50 118.70 126.68 3iaq s GLU 871 Ca 0.02 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.60 3iaq s GLU 871 Cb -0.13 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 3iaq s GLU 871 CO 0.03 0.22 -0.18 0.08 0.02 0.00 0.00 175.26 175.43 3iaq s VAL 872 N 0.48 2.55 0.37 2.63 1.01 0.80 -1.35 120.40 126.88 3iaq s VAL 872 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 3iaq s VAL 872 Cb -0.13 -2.04 -0.11 0.00 0.00 0.00 0.00 36.38 34.09 3iaq s VAL 872 CO 0.02 0.54 1.43 0.00 0.00 0.00 0.00 175.10 177.08 3iaq n ALA 873 N 3.69 2.07 0.15 5.51 0.00 -0.50 -4.61 120.51 126.82 3iaq n ALA 873 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3iaq n ALA 873 Cb 0.52 -2.37 0.26 0.00 0.00 0.00 0.00 19.45 17.87 3iaq n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iaq h SER 874 N 2.82 0.05 -0.13 0.00 4.64 -1.95 -3.10 113.55 115.88 3iaq h SER 874 Ca -0.49 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3iaq h SER 874 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3iaq h SER 874 CO 0.63 0.51 0.00 -0.90 -0.87 0.00 0.00 176.83 176.21 3iaq n ASP 875 N -3.98 1.96 -4.79 4.97 5.75 -1.26 -4.82 116.55 114.39 3iaq n ASP 875 Ca -0.02 -1.70 -0.37 0.00 -0.01 0.00 0.00 54.79 52.69 3iaq n ASP 875 Cb 0.50 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 3iaq n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3iaq s THR 876 N -1.85 5.22 0.17 2.12 -1.32 -1.17 -5.05 115.64 113.76 3iaq s THR 876 Ca 0.35 0.66 -0.33 0.00 -1.21 0.00 0.00 61.69 61.15 3iaq s THR 876 Cb 0.20 -3.65 -0.15 0.00 -1.51 0.00 0.00 72.50 67.38 3iaq s THR 876 CO 0.30 0.48 1.34 -0.81 -2.21 0.00 0.00 174.62 173.71 3iaq n PRO 877 N 2.76 1.57 -1.64 7.08 -0.04 -1.26 -4.81 135.00 138.65 3iaq n PRO 877 Ca -0.13 0.56 -0.48 0.00 -0.04 0.00 0.00 63.50 63.42 3iaq n PRO 877 Cb 0.52 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3iaq n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3iaq n HIS 878 N 2.13 1.95 -2.22 0.54 8.25 -1.26 -4.90 115.22 119.71 3iaq n HIS 878 Ca 0.15 0.44 -0.35 0.00 -0.26 0.00 0.00 57.72 57.70 3iaq n HIS 878 Cb 0.26 -2.44 0.01 0.00 1.12 0.00 0.00 29.99 28.93 3iaq n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3iaq s PRO 879 N 0.38 3.31 0.27 -0.41 0.04 -1.26 -4.90 135.00 132.43 3iaq s PRO 879 Ca 0.77 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 3iaq s PRO 879 Cb -0.76 -2.01 0.35 0.00 0.04 0.00 0.00 34.50 32.12 3iaq s PRO 879 CO 0.44 -0.89 1.87 0.00 0.04 0.00 0.00 177.00 178.46 3iaq h ALA 880 N 1.18 1.25 -2.77 8.56 0.00 -1.82 -3.42 119.26 122.24 3iaq h ALA 880 Ca -0.50 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 3iaq h ALA 880 Cb 1.27 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 3iaq h ALA 880 CO 0.57 0.58 -0.12 -0.98 0.00 0.00 0.00 179.25 179.30 3iaq s ARG 881 N -5.62 1.30 -0.34 0.00 1.70 -1.15 -1.08 118.95 113.76 3iaq s ARG 881 Ca -0.11 -1.01 -0.01 0.00 -0.47 0.00 0.00 55.73 54.13 3iaq s ARG 881 Cb 0.17 0.46 0.12 0.00 -0.57 0.00 0.00 34.95 35.12 3iaq s ARG 881 CO 0.81 -0.52 0.16 0.42 -1.08 0.00 0.00 175.30 175.08 3iaq s ILE 882 N -3.92 0.59 0.00 4.99 1.01 0.34 -4.16 121.20 120.05 3iaq s ILE 882 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.24 3iaq s ILE 882 Cb 0.01 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3iaq s ILE 882 CO -0.01 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.74 3iaq n GLY 883 N 4.51 2.72 3.37 6.18 0.00 -0.87 -1.05 105.19 120.04 3iaq n GLY 883 Ca 0.02 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 3iaq n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 884 N 0.00 2.54 0.05 0.99 1.43 0.16 -0.44 118.68 123.41 3iaq s LEU 884 Ca 0.00 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 51.97 3iaq s LEU 884 Cb 0.00 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.46 3iaq s LEU 884 CO 0.00 -0.11 0.31 0.54 0.23 0.00 0.00 176.35 177.32 3iaq s ASN 885 N -3.24 -0.13 0.20 2.29 4.22 0.10 -1.45 114.94 116.94 3iaq s ASN 885 Ca 0.23 -0.21 -0.21 0.00 -2.14 0.00 0.00 52.86 50.52 3iaq s ASN 885 Cb -0.02 0.37 0.05 0.00 1.28 0.00 0.00 41.25 42.92 3iaq s ASN 885 CO 0.08 -0.64 0.63 0.00 -2.04 0.00 0.00 177.10 175.13 3iaq s GLN 887 N -3.82 2.33 0.46 0.00 0.74 -1.20 -1.41 119.66 116.76 3iaq s GLN 887 Ca 0.05 -1.64 -0.23 0.00 0.05 0.00 0.00 55.36 53.59 3iaq s GLN 887 Cb -0.03 -3.68 -0.07 0.00 1.10 0.00 0.00 33.01 30.33 3iaq s GLN 887 CO -0.05 -1.02 1.16 -0.51 -0.55 0.00 0.00 175.29 174.33 3iaq s LEU 888 N 1.29 4.01 0.31 3.68 1.43 -0.67 0.77 118.68 129.49 3iaq s LEU 888 Ca 0.05 2.30 0.16 0.00 -1.03 0.00 0.00 54.13 55.61 3iaq s LEU 888 Cb -0.23 -4.24 0.36 0.00 0.03 0.00 0.00 46.19 42.10 3iaq s LEU 888 CO -0.01 -0.92 1.58 0.00 0.23 0.00 0.00 176.35 177.23 3iaq h ALA 889 N 2.04 0.81 -2.75 4.21 0.00 -1.73 -2.02 119.26 119.82 3iaq h ALA 889 Ca -0.49 -0.45 -0.51 0.00 0.00 0.00 0.00 54.91 53.45 3iaq h ALA 889 Cb 1.25 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 19.02 3iaq h ALA 889 CO 0.60 0.62 0.51 -1.14 0.00 0.00 0.00 179.25 179.85 3iaq s GLN 890 N -3.29 3.84 -0.40 0.00 2.00 -1.26 -4.53 119.66 116.01 3iaq s GLN 890 Ca 0.01 1.87 0.02 0.00 -2.00 0.00 0.00 55.36 55.26 3iaq s GLN 890 Cb 0.10 -2.53 0.12 0.00 0.80 0.00 0.00 33.01 31.50 3iaq s GLN 890 CO 0.72 -0.51 0.19 0.08 -0.50 0.00 0.00 175.29 175.28 3iaq s VAL 891 N -1.45 1.34 0.69 1.34 1.01 -1.26 -3.62 120.40 118.45 3iaq s VAL 891 Ca 0.61 -2.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.24 3iaq s VAL 891 Cb -0.31 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.15 3iaq s VAL 891 CO 0.38 -0.82 1.02 0.00 0.00 0.00 0.00 175.10 175.68 3iaq s ALA 892 N 0.68 3.10 -0.13 5.51 0.00 -1.26 -5.02 121.76 124.64 3iaq s ALA 892 Ca 0.15 -0.78 0.19 0.00 0.00 0.00 0.00 51.96 51.53 3iaq s ALA 892 Cb -0.23 -2.69 -0.18 0.00 0.00 0.00 0.00 23.12 20.02 3iaq s ALA 892 CO -0.06 -1.21 0.64 0.39 0.00 0.00 0.00 175.76 175.52 3iaq n GLU 893 N -2.90 0.64 -4.27 0.00 1.02 -1.26 -4.76 120.64 109.10 3iaq n GLU 893 Ca 0.07 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 3iaq n GLU 893 Cb 0.59 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 30.20 3iaq n GLU 893 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iaq s ARG 894 N -3.05 1.10 -0.13 3.49 1.81 -1.26 -1.10 118.95 119.80 3iaq s ARG 894 Ca -0.05 -1.22 0.01 0.00 -1.72 0.00 0.00 55.73 52.75 3iaq s ARG 894 Cb 0.10 -1.19 0.02 0.00 -0.45 0.00 0.00 34.95 33.43 3iaq s ARG 894 CO 0.83 0.25 -0.17 0.08 -0.68 0.00 0.00 175.30 175.62 3iaq s VAL 895 N -1.66 1.68 -0.14 3.52 1.01 0.23 -4.56 120.40 120.49 3iaq s VAL 895 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3iaq s VAL 895 Cb -0.08 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3iaq s VAL 895 CO 0.04 0.48 -0.17 0.21 0.00 0.00 0.00 175.10 175.66 3iaq s ASN 896 N 1.14 2.79 0.01 3.32 3.84 -0.87 -0.88 114.94 124.28 3iaq s ASN 896 Ca -0.02 -0.53 -0.08 0.00 0.21 0.00 0.00 52.86 52.45 3iaq s ASN 896 Cb -0.14 -1.27 0.00 0.00 -0.55 0.00 0.00 41.25 39.29 3iaq s ASN 896 CO -0.06 0.00 0.15 -1.66 -2.79 0.00 0.00 177.10 172.75 3iaq s TRP 897 N 1.18 0.05 -0.46 0.43 -2.14 -0.37 0.37 118.94 118.00 3iaq s TRP 897 Ca -0.00 -0.16 -0.14 0.00 2.66 0.00 0.00 56.10 58.45 3iaq s TRP 897 Cb -0.14 -0.05 0.07 0.00 -3.10 0.00 0.00 33.47 30.26 3iaq s TRP 897 CO -0.07 -0.32 0.36 -1.17 -2.66 0.00 0.00 176.95 173.09 3iaq s LEU 898 N -1.54 5.49 0.00 -4.66 2.96 0.16 -0.81 118.68 120.28 3iaq s LEU 898 Ca -0.13 -1.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 3iaq s LEU 898 Cb -0.06 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3iaq s LEU 898 CO 0.01 -0.61 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 3iaq n GLY 899 N 5.13 -1.23 3.72 7.98 0.00 -1.09 0.07 105.19 119.78 3iaq n GLY 899 Ca -0.12 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3iaq n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 900 N 0.00 4.38 0.00 0.99 1.43 -0.86 -2.38 118.68 122.24 3iaq s LEU 900 Ca 0.00 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3iaq s LEU 900 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3iaq s LEU 900 CO 0.00 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3iaq n GLY 901 N 3.34 1.18 0.11 -3.19 0.00 -0.08 -4.39 105.19 102.16 3iaq n GLY 901 Ca 0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3iaq n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iaq h PRO 902 N 0.00 0.17 -7.49 1.61 0.13 -1.93 -1.01 132.00 123.48 3iaq h PRO 902 Ca 0.00 -0.22 -0.47 0.00 -0.87 0.00 0.00 66.00 64.44 3iaq h PRO 902 Cb 0.00 0.07 0.12 0.00 0.13 0.00 0.00 31.00 31.32 3iaq h PRO 902 CO 0.00 1.02 0.32 -0.65 -0.23 0.00 0.00 178.00 178.46 3iaq s GLN 903 N -2.98 1.49 0.20 0.86 -0.21 -1.26 -4.98 119.66 112.77 3iaq s GLN 903 Ca -0.02 0.35 -0.32 0.00 0.02 0.00 0.00 55.36 55.39 3iaq s GLN 903 Cb 0.09 -1.87 -0.15 0.00 1.00 0.00 0.00 33.01 32.08 3iaq s GLN 903 CO 0.84 -1.97 1.24 -1.91 -2.12 0.00 0.00 175.29 171.37 3iaq n GLU 904 N -3.62 1.46 -3.79 2.91 2.13 -1.26 -4.88 120.64 113.58 3iaq n GLU 904 Ca 0.07 0.52 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 3iaq n GLU 904 Cb 0.59 -2.07 -0.09 0.00 0.27 0.00 0.00 31.44 30.14 3iaq n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3iaq s ASN 905 N 0.08 -0.14 0.17 4.31 2.20 0.93 -4.92 114.94 117.56 3iaq s ASN 905 Ca 0.71 0.03 0.04 0.00 -0.94 0.00 0.00 52.86 52.70 3iaq s ASN 905 Cb -0.78 0.29 -0.05 0.00 -2.00 0.00 0.00 41.25 38.71 3iaq s ASN 905 CO 0.51 -0.43 -0.07 -0.31 -2.94 0.00 0.00 177.10 173.86 3iaq s TYR 906 N -1.32 1.34 0.21 1.54 1.51 -0.96 -3.92 117.35 115.74 3iaq s TYR 906 Ca -0.14 -0.81 -0.13 0.00 -1.01 0.00 0.00 57.07 54.99 3iaq s TYR 906 Cb -0.06 -0.71 0.24 0.00 -0.11 0.00 0.00 41.96 41.32 3iaq s TYR 906 CO 0.04 0.05 1.64 -1.35 -1.11 0.00 0.00 175.55 174.81 3iaq h PRO 907 N 2.70 0.02 -0.03 -1.71 0.11 -1.86 0.22 132.00 131.45 3iaq h PRO 907 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3iaq h PRO 907 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iaq h PRO 907 CO 0.64 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3iaq n ASP 908 N -5.40 0.60 -3.16 -2.05 5.75 -1.26 -4.16 116.55 106.87 3iaq n ASP 908 Ca 0.07 -1.31 -0.21 0.00 -0.01 0.00 0.00 54.79 53.33 3iaq n ASP 908 Cb 0.33 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.35 3iaq n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3iaq n ARG 909 N -0.48 0.79 0.00 0.11 0.63 0.73 -0.75 116.66 117.69 3iaq n ARG 909 Ca 0.20 -3.18 0.00 0.00 -0.92 0.00 0.00 57.85 53.95 3iaq n ARG 909 Cb 0.19 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.74 3iaq n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3iaq n LEU 910 N 1.08 0.53 0.11 6.15 -0.00 -0.98 -2.27 117.00 121.63 3iaq n LEU 910 Ca 0.21 -0.53 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 3iaq n LEU 910 Cb 0.57 0.00 0.31 0.00 -0.00 0.00 0.00 43.42 44.30 3iaq n LEU 910 CO 0.18 0.13 0.76 0.71 -0.00 0.00 0.00 177.39 179.18 3iaq h THR 911 N 1.86 1.25 0.00 1.47 1.35 -1.90 -2.65 112.91 114.28 3iaq h THR 911 Ca 0.00 -1.17 -0.09 0.00 -0.55 0.00 0.00 66.41 64.61 3iaq h THR 911 Cb 0.76 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3iaq h THR 911 CO 0.00 0.35 -0.41 0.00 -0.25 0.00 0.00 175.52 175.21 3iaq h ALA 912 N 1.51 0.89 -2.89 6.62 0.00 -1.88 -3.45 119.26 120.07 3iaq h ALA 912 Ca 0.03 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 54.04 3iaq h ALA 912 Cb 0.60 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.40 3iaq h ALA 912 CO 0.04 0.51 0.66 0.00 0.00 0.00 0.00 179.25 180.46 3iaq s ALA 913 N -3.41 3.51 0.03 0.00 0.00 -1.00 -4.97 121.76 115.92 3iaq s ALA 913 Ca 0.01 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.34 3iaq s ALA 913 Cb 0.10 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3iaq s ALA 913 CO 0.70 -0.70 -0.16 0.00 0.00 0.00 0.00 175.76 175.61 3iaq s PHE 915 N -0.92 3.24 0.17 0.00 5.36 -1.26 -0.90 117.98 123.67 3iaq s PHE 915 Ca 0.15 1.30 -0.24 0.00 -0.96 0.00 0.00 56.93 57.18 3iaq s PHE 915 Cb -0.11 -3.48 0.07 0.00 -0.34 0.00 0.00 43.02 39.16 3iaq s PHE 915 CO 0.05 -0.63 0.98 0.34 -1.46 0.00 0.00 175.22 174.50 3iaq s ASP 916 N 1.45 -0.12 -0.49 6.13 2.15 -1.00 -4.92 116.67 119.87 3iaq s ASP 916 Ca 0.44 -0.50 -0.28 0.00 0.43 0.00 0.00 52.55 52.63 3iaq s ASP 916 Cb -0.14 0.50 0.02 0.00 -0.30 0.00 0.00 42.92 43.01 3iaq s ASP 916 CO 0.11 -0.95 1.33 -0.60 -0.17 0.00 0.00 175.17 174.88 3iaq s ARG 917 N -2.97 3.51 0.04 4.34 6.06 -1.26 -2.66 118.95 126.02 3iaq s ARG 917 Ca 0.15 0.62 0.02 0.00 -2.50 0.00 0.00 55.73 54.02 3iaq s ARG 917 Cb -0.02 -4.03 -0.04 0.00 0.06 0.00 0.00 34.95 30.92 3iaq s ARG 917 CO 0.03 -1.66 0.03 -1.58 -2.50 0.00 0.00 175.30 169.62 3iaq s TRP 918 N 5.37 3.11 -0.19 5.12 0.52 0.01 -4.97 118.94 127.90 3iaq s TRP 918 Ca 0.53 0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.68 3iaq s TRP 918 Cb -0.11 -1.63 0.08 0.00 -1.15 0.00 0.00 33.47 30.66 3iaq s TRP 918 CO 0.29 0.49 0.15 0.34 0.02 0.00 0.00 176.95 178.24 3iaq s ASP 919 N -1.96 1.98 0.10 2.95 -1.08 -1.26 -1.23 116.67 116.17 3iaq s ASP 919 Ca 0.24 -0.48 0.06 0.00 -0.52 0.00 0.00 52.55 51.85 3iaq s ASP 919 Cb -0.12 0.02 -0.03 0.00 -1.46 0.00 0.00 42.92 41.33 3iaq s ASP 919 CO 0.15 -0.34 -0.16 -0.76 0.52 0.00 0.00 175.17 174.58 3iaq s LEU 920 N 2.22 2.32 0.64 -1.34 1.43 -0.06 -4.96 118.68 118.93 3iaq s LEU 920 Ca 0.04 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 3iaq s LEU 920 Cb -0.16 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 3iaq s LEU 920 CO -0.12 -0.05 1.17 -2.16 0.23 0.00 0.00 176.35 175.42 3iaq s PRO 921 N -2.07 2.75 0.24 1.29 0.04 -1.26 0.78 135.00 136.78 3iaq s PRO 921 Ca 0.04 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 3iaq s PRO 921 Cb -0.09 -1.92 0.46 0.00 0.04 0.00 0.00 34.50 32.99 3iaq s PRO 921 CO 0.03 -1.34 1.71 1.25 0.04 0.00 0.00 177.00 178.69 3iaq h LEU 922 N 0.36 0.14 -1.95 -3.56 5.85 -1.41 -2.32 115.31 112.42 3iaq h LEU 922 Ca -0.49 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.40 3iaq h LEU 922 Cb 1.28 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3iaq h LEU 922 CO 0.54 0.03 0.12 0.77 -0.34 0.00 0.00 178.44 179.55 3iaq h SER 923 N 0.35 0.06 0.82 1.25 4.64 -1.92 -0.14 113.55 118.61 3iaq h SER 923 Ca 0.41 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3iaq h SER 923 Cb 0.67 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3iaq h SER 923 CO -0.46 0.04 0.00 0.44 -0.87 0.00 0.00 176.83 175.98 3iaq h ASP 924 N 0.07 0.00 -0.22 4.97 3.32 -1.79 -2.73 116.42 120.04 3iaq h ASP 924 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3iaq h ASP 924 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3iaq h ASP 924 CO -0.01 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.74 3iaq n MET 925 N -2.70 1.58 -4.41 3.56 2.81 -0.06 -4.67 117.12 113.23 3iaq n MET 925 Ca 0.01 -0.81 -0.26 0.00 -1.81 0.00 0.00 57.70 54.83 3iaq n MET 925 Cb 0.25 -1.23 -0.17 0.00 -0.71 0.00 0.00 33.22 31.36 3iaq n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3iaq s TYR 926 N -1.68 1.58 -0.36 2.03 5.04 -1.03 -4.49 117.35 118.44 3iaq s TYR 926 Ca 0.15 -0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 53.95 3iaq s TYR 926 Cb 0.08 -1.19 -0.00 0.00 0.35 0.00 0.00 41.96 41.20 3iaq s TYR 926 CO 0.09 -0.37 0.40 0.99 -1.34 0.00 0.00 175.55 175.32 3iaq s THR 927 N 0.96 5.13 -1.40 4.34 2.01 -1.26 -4.98 115.64 120.43 3iaq s THR 927 Ca -0.09 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 3iaq s THR 927 Cb -0.15 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3iaq s THR 927 CO -0.00 -0.18 2.44 -0.81 -0.69 0.00 0.00 174.62 175.39 3iaq n PRO 928 N 5.49 2.94 -1.93 4.92 -0.04 -1.26 -4.90 135.00 140.22 3iaq n PRO 928 Ca -0.08 -2.29 -0.42 0.00 -0.04 0.00 0.00 63.50 60.67 3iaq n PRO 928 Cb 0.49 -3.01 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 3iaq n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3iaq s TYR 929 N 3.05 2.95 0.28 0.54 2.02 -1.26 -4.90 117.35 120.03 3iaq s TYR 929 Ca 0.55 0.57 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 3iaq s TYR 929 Cb 0.15 -3.94 0.63 0.00 -0.40 0.00 0.00 41.96 38.40 3iaq s TYR 929 CO -0.05 -3.51 1.78 0.28 -1.57 0.00 0.00 175.55 172.47 3iaq h VAL 930 N 4.15 0.74 -3.31 0.71 2.07 -1.96 -3.17 116.25 115.48 3iaq h VAL 930 Ca -0.43 -0.25 -0.70 0.00 0.82 0.00 0.00 66.70 66.14 3iaq h VAL 930 Cb 1.20 -0.05 -0.20 0.00 -1.52 0.00 0.00 31.29 30.72 3iaq h VAL 930 CO 0.92 0.13 -0.11 0.12 0.02 0.00 0.00 177.57 178.65 3iaq s PHE 931 N -5.92 3.13 0.33 1.57 5.36 -1.26 -0.98 117.98 120.21 3iaq s PHE 931 Ca -0.12 -0.64 -0.29 0.00 -0.96 0.00 0.00 56.93 54.93 3iaq s PHE 931 Cb 0.23 -3.33 -0.11 0.00 -0.34 0.00 0.00 43.02 39.48 3iaq s PHE 931 CO 0.79 -0.91 1.43 -2.14 -1.46 0.00 0.00 175.22 172.94 3iaq s PRO 932 N 2.24 4.22 0.32 10.12 0.02 -1.20 -4.95 135.00 145.76 3iaq s PRO 932 Ca 0.11 2.41 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 3iaq s PRO 932 Cb -0.21 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.32 3iaq s PRO 932 CO 0.10 -0.42 0.59 -1.13 -0.33 0.00 0.00 177.00 175.82 3iaq n SER 933 N 1.14 -1.71 -4.68 2.53 3.41 -1.26 -4.65 113.62 108.40 3iaq n SER 933 Ca 0.03 -2.39 -0.52 0.00 -0.26 0.00 0.00 58.87 55.73 3iaq n SER 933 Cb 0.40 2.90 -0.06 0.00 -0.26 0.00 0.00 64.21 67.19 3iaq n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3iaq n GLU 934 N -0.45 1.63 -3.71 4.33 4.07 0.27 -4.93 120.64 121.85 3iaq n GLU 934 Ca -0.05 0.60 -0.12 0.00 -0.06 0.00 0.00 57.16 57.52 3iaq n GLU 934 Cb 0.49 -2.34 -0.07 0.00 -0.06 0.00 0.00 31.44 29.46 3iaq n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3iaq s ASN 935 N 2.97 -0.19 0.00 4.31 2.20 -1.26 -4.90 114.94 118.06 3iaq s ASN 935 Ca 0.92 -0.12 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 3iaq s ASN 935 Cb -0.87 0.39 0.00 0.00 -2.00 0.00 0.00 41.25 38.77 3iaq s ASN 935 CO 0.55 -0.65 0.00 0.61 -2.94 0.00 0.00 177.10 174.67 3iaq n GLY 936 N 0.49 0.55 3.77 0.45 0.00 -1.26 -4.76 105.19 104.43 3iaq n GLY 936 Ca -0.18 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 3iaq n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iaq s LEU 937 N 0.00 4.16 -0.10 0.99 2.96 -1.26 -4.58 118.68 120.85 3iaq s LEU 937 Ca 0.00 2.78 0.03 0.00 -0.22 0.00 0.00 54.13 56.72 3iaq s LEU 937 Cb 0.00 -3.92 0.01 0.00 0.50 0.00 0.00 46.19 42.77 3iaq s LEU 937 CO 0.00 -1.01 -0.19 -0.13 -1.32 0.00 0.00 176.35 173.69 3iaq s ARG 938 N -2.35 2.57 0.50 1.98 3.00 0.63 -0.05 118.95 125.23 3iaq s ARG 938 Ca 0.59 -0.70 0.05 0.00 0.00 0.00 0.00 55.73 55.67 3iaq s ARG 938 Cb -0.41 -2.04 0.03 0.00 0.00 0.00 0.00 34.95 32.54 3iaq s ARG 938 CO 0.52 0.06 0.70 0.00 0.00 0.00 0.00 175.30 176.58 3iaq n GLY 940 N -2.13 -0.48 3.73 0.00 0.00 -1.20 -2.03 105.19 103.08 3iaq n GLY 940 Ca 0.09 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3iaq n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iaq s THR 941 N -2.95 4.87 -0.03 2.61 2.01 -0.33 -4.04 115.64 117.78 3iaq s THR 941 Ca 0.42 1.59 0.15 0.00 0.31 0.00 0.00 61.69 64.16 3iaq s THR 941 Cb -0.22 -4.10 -0.23 0.00 0.01 0.00 0.00 72.50 67.96 3iaq s THR 941 CO 0.52 0.30 0.31 0.54 -0.69 0.00 0.00 174.62 175.60 3iaq n ARG 942 N 3.28 0.57 -3.69 4.92 5.12 0.11 -1.49 116.66 125.48 3iaq n ARG 942 Ca -0.01 -0.13 -0.10 0.00 -1.93 0.00 0.00 57.85 55.68 3iaq n ARG 942 Cb 0.51 -1.36 -0.10 0.00 -1.16 0.00 0.00 32.46 30.34 3iaq n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3iaq s GLU 943 N -3.00 0.44 -0.08 5.56 2.12 -1.18 -1.05 118.70 121.51 3iaq s GLU 943 Ca -0.06 0.82 0.02 0.00 0.36 0.00 0.00 54.97 56.11 3iaq s GLU 943 Cb 0.09 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.52 3iaq s GLU 943 CO 0.63 -0.15 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.89 3iaq s LEU 944 N 1.29 1.69 -0.18 2.70 2.96 0.11 -0.66 118.68 126.59 3iaq s LEU 944 Ca -0.08 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3iaq s LEU 944 Cb -0.07 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.66 3iaq s LEU 944 CO -0.12 0.04 -0.16 0.20 -1.32 0.00 0.00 176.35 174.99 3iaq s ASN 945 N 0.76 3.49 -0.25 3.68 0.01 0.16 -0.57 114.94 122.21 3iaq s ASN 945 Ca -0.12 -0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 51.43 3iaq s ASN 945 Cb -0.16 -1.55 0.09 0.00 0.41 0.00 0.00 41.25 40.04 3iaq s ASN 945 CO 0.02 0.02 0.12 -0.47 -1.51 0.00 0.00 177.10 175.28 3iaq s TYR 946 N 1.21 0.31 0.00 2.20 5.04 -0.82 -2.06 117.35 123.23 3iaq s TYR 946 Ca 0.02 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 3iaq s TYR 946 Cb -0.14 -0.85 0.00 0.00 0.35 0.00 0.00 41.96 41.32 3iaq s TYR 946 CO -0.08 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.81 3iaq n GLY 947 N 5.25 3.39 0.05 8.97 0.00 -1.26 -2.11 105.19 119.48 3iaq n GLY 947 Ca -0.06 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3iaq n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iaq n PRO 948 N 13.52 0.10 -3.53 1.61 -0.04 -1.26 -4.90 135.00 140.51 3iaq n PRO 948 Ca 0.00 0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 3iaq n PRO 948 Cb 0.00 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 3iaq n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iaq s HIS 949 N -3.08 3.50 -0.04 0.54 3.76 -0.90 -2.40 115.29 116.68 3iaq s HIS 949 Ca 0.10 0.78 0.01 0.00 -0.15 0.00 0.00 55.06 55.81 3iaq s HIS 949 Cb 0.14 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.67 3iaq s HIS 949 CO 0.48 0.40 -0.06 -1.14 -0.85 0.00 0.00 174.74 173.56 3iaq s GLN 950 N -2.45 0.90 -0.11 1.40 0.74 0.15 -1.95 119.66 118.34 3iaq s GLN 950 Ca 0.41 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.65 3iaq s GLN 950 Cb -0.13 -0.86 -0.02 0.00 1.10 0.00 0.00 33.01 33.10 3iaq s GLN 950 CO 0.21 -0.03 -0.13 -1.58 -0.55 0.00 0.00 175.29 173.22 3iaq s TRP 951 N 0.70 2.80 0.03 1.67 0.51 0.26 -1.91 118.94 123.01 3iaq s TRP 951 Ca -0.10 -0.51 0.07 0.00 -2.12 0.00 0.00 56.10 53.44 3iaq s TRP 951 Cb -0.13 -1.80 -0.02 0.00 -0.81 0.00 0.00 33.47 30.70 3iaq s TRP 951 CO 0.01 -0.11 -0.20 1.03 -0.51 0.00 0.00 176.95 177.16 3iaq s ARG 952 N 0.10 1.45 0.00 4.98 0.52 -0.36 0.07 118.95 125.71 3iaq s ARG 952 Ca -0.06 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 3iaq s ARG 952 Cb -0.15 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.81 3iaq s ARG 952 CO 0.04 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.17 3iaq n GLY 953 N 2.06 -0.51 2.42 -3.53 0.00 -0.21 -0.67 105.19 104.74 3iaq n GLY 953 Ca -0.17 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 3iaq n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iaq s ASP 954 N -4.00 1.92 0.35 1.61 2.15 -1.25 -4.12 116.67 113.32 3iaq s ASP 954 Ca 0.00 -2.80 0.03 0.00 0.43 0.00 0.00 52.55 50.21 3iaq s ASP 954 Cb 0.00 -0.43 -0.04 0.00 -0.30 0.00 0.00 42.92 42.15 3iaq s ASP 954 CO 0.00 -0.21 0.11 0.72 -0.17 0.00 0.00 175.17 175.62 3iaq s PHE 955 N 0.36 1.76 0.05 -5.34 -0.12 -0.55 -4.88 117.98 109.26 3iaq s PHE 955 Ca 0.28 -1.21 0.09 0.00 -0.05 0.00 0.00 56.93 56.04 3iaq s PHE 955 Cb -0.05 -1.10 -0.03 0.00 -0.63 0.00 0.00 43.02 41.22 3iaq s PHE 955 CO -0.13 -0.27 -0.26 -0.65 -0.05 0.00 0.00 175.22 173.85 3iaq s GLN 956 N -3.81 1.81 -0.01 1.99 -1.52 0.47 -1.18 119.66 117.41 3iaq s GLN 956 Ca 0.31 -1.11 -0.15 0.00 -1.95 0.00 0.00 55.36 52.46 3iaq s GLN 956 Cb 0.05 -1.99 0.02 0.00 -0.22 0.00 0.00 33.01 30.87 3iaq s GLN 956 CO 0.15 0.51 0.32 -0.59 -0.25 0.00 0.00 175.29 175.44 3iaq s PHE 957 N -0.82 -0.18 0.12 0.91 -0.71 -0.64 0.04 117.98 116.70 3iaq s PHE 957 Ca 0.12 0.26 0.06 0.00 -1.04 0.00 0.00 56.93 56.32 3iaq s PHE 957 Cb -0.10 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 3iaq s PHE 957 CO 0.02 -0.41 -0.14 0.54 -1.34 0.00 0.00 175.22 173.90 3iaq s ASN 958 N -1.40 1.93 -0.19 1.98 2.20 -0.64 -0.27 114.94 118.55 3iaq s ASN 958 Ca -0.13 -0.80 -0.05 0.00 -0.94 0.00 0.00 52.86 50.94 3iaq s ASN 958 Cb -0.05 -0.06 0.09 0.00 -2.00 0.00 0.00 41.25 39.24 3iaq s ASN 958 CO 0.04 -0.15 0.36 -0.51 -2.94 0.00 0.00 177.10 173.89 3iaq s ILE 959 N -2.14 -0.57 0.37 0.54 2.07 -1.26 -1.06 121.20 119.15 3iaq s ILE 959 Ca 0.08 0.14 -0.13 0.00 -1.41 0.00 0.00 60.65 59.34 3iaq s ILE 959 Cb -0.05 -0.64 0.04 0.00 0.13 0.00 0.00 42.46 41.94 3iaq s ILE 959 CO 0.03 0.03 0.70 -0.94 -1.91 0.00 0.00 174.94 172.85 3iaq s SER 960 N 2.54 0.22 0.00 4.50 1.04 -0.77 -4.66 113.70 116.56 3iaq s SER 960 Ca 0.02 -1.20 0.29 0.00 0.48 0.00 0.00 55.95 55.54 3iaq s SER 960 Cb -0.13 0.79 1.41 0.00 0.10 0.00 0.00 66.02 68.19 3iaq s SER 960 CO -0.12 -1.56 1.94 0.54 0.98 0.00 0.00 173.24 175.02 3iaq n ARG 961 N -0.53 1.35 -5.05 4.02 5.12 -1.26 0.18 116.66 120.49 3iaq n ARG 961 Ca -0.06 -0.51 -0.32 0.00 -1.93 0.00 0.00 57.85 55.03 3iaq n ARG 961 Cb 0.60 -1.47 -0.16 0.00 -1.16 0.00 0.00 32.46 30.27 3iaq n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3iaq s TYR 962 N -1.99 2.65 0.46 -1.55 2.02 -1.26 -0.96 117.35 116.72 3iaq s TYR 962 Ca 0.42 -0.87 -0.21 0.00 -0.37 0.00 0.00 57.07 56.04 3iaq s TYR 962 Cb 0.21 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.92 3iaq s TYR 962 CO 0.34 -0.32 1.00 -1.54 -1.57 0.00 0.00 175.55 173.46 3iaq s SER 963 N 0.31 6.62 0.44 2.29 1.04 -1.26 -4.79 113.70 118.34 3iaq s SER 963 Ca -0.15 1.84 0.21 0.00 0.48 0.00 0.00 55.95 58.32 3iaq s SER 963 Cb -0.17 -2.55 1.17 0.00 0.10 0.00 0.00 66.02 64.57 3iaq s SER 963 CO 0.07 -0.59 1.84 1.56 0.98 0.00 0.00 173.24 177.11 3iaq h GLN 964 N 1.77 0.31 -0.14 4.02 1.08 -1.99 0.16 115.11 120.33 3iaq h GLN 964 Ca -0.49 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 56.65 3iaq h GLN 964 Cb 1.20 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 3iaq h GLN 964 CO 0.60 0.21 -0.08 0.37 -0.95 0.00 0.00 178.83 178.98 3iaq h GLN 965 N 0.32 0.30 -0.67 1.46 4.15 -1.98 -1.55 115.11 117.14 3iaq h GLN 965 Ca 0.49 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.76 3iaq h GLN 965 Cb 1.35 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.00 3iaq h GLN 965 CO -0.16 0.64 0.39 0.37 -1.93 0.00 0.00 178.83 178.14 3iaq h GLN 966 N -0.04 0.92 -0.25 1.69 4.15 -1.60 -0.53 115.11 119.46 3iaq h GLN 966 Ca 0.03 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.36 3iaq h GLN 966 Cb 0.56 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3iaq h GLN 966 CO 0.02 0.67 0.16 -0.07 -1.93 0.00 0.00 178.83 177.68 3iaq h LEU 967 N 0.91 0.26 -0.31 -2.39 3.38 -0.72 -1.87 115.31 114.57 3iaq h LEU 967 Ca 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3iaq h LEU 967 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3iaq h LEU 967 CO -0.04 0.19 0.00 1.15 0.09 0.00 0.00 178.44 179.83 3iaq n MET 968 N -4.93 0.21 0.00 1.13 0.00 -0.59 -3.13 117.12 109.81 3iaq n MET 968 Ca -0.02 0.30 0.11 0.00 0.00 0.00 0.00 57.70 58.09 3iaq n MET 968 Cb 0.03 -1.81 0.10 0.00 0.00 0.00 0.00 33.22 31.54 3iaq n MET 968 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3iaq n GLU 969 N -2.20 0.75 -4.82 3.17 1.02 -0.22 -4.92 120.64 113.41 3iaq n GLU 969 Ca 0.04 -0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 56.28 3iaq n GLU 969 Cb 0.33 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 3iaq n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iaq s THR 970 N -2.64 3.09 -0.14 2.62 2.01 -0.75 -5.03 115.64 114.80 3iaq s THR 970 Ca 0.17 -0.68 0.20 0.00 0.31 0.00 0.00 61.69 61.69 3iaq s THR 970 Cb 0.18 -2.26 -0.15 0.00 0.01 0.00 0.00 72.50 70.28 3iaq s THR 970 CO 0.63 0.56 0.73 -1.54 -0.69 0.00 0.00 174.62 174.31 3iaq n SER 971 N 2.89 0.56 -4.11 3.53 3.41 -1.26 -4.28 113.62 114.37 3iaq n SER 971 Ca -0.18 0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.47 3iaq n SER 971 Cb 0.52 0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 65.11 3iaq n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3iaq s HIS 972 N -3.16 1.13 0.45 7.33 3.76 -1.26 -4.41 115.29 119.14 3iaq s HIS 972 Ca -0.04 -0.29 0.18 0.00 -0.15 0.00 0.00 55.06 54.76 3iaq s HIS 972 Cb 0.10 -0.70 1.16 0.00 1.11 0.00 0.00 32.58 34.26 3iaq s HIS 972 CO 0.83 0.01 2.03 0.07 -0.85 0.00 0.00 174.74 176.83 3iaq h ARG 973 N 5.32 0.00 0.00 1.40 0.11 -1.27 -2.81 114.38 117.12 3iaq h ARG 973 Ca -0.36 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.67 3iaq h ARG 973 Cb 1.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 3iaq h ARG 973 CO 0.46 0.15 -0.24 1.12 0.10 0.00 0.00 179.97 181.57 3iaq h HIS 974 N 0.00 0.00 -0.00 4.08 2.07 -1.93 -2.73 115.15 116.64 3iaq h HIS 974 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3iaq h HIS 974 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 3iaq h HIS 974 CO 0.00 0.24 -0.00 1.28 -3.07 0.00 0.00 177.93 176.38 3iaq n LEU 975 N -3.32 0.01 -4.67 6.12 4.77 -1.06 -4.83 117.00 114.01 3iaq n LEU 975 Ca 0.01 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 3iaq n LEU 975 Cb 0.48 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3iaq n LEU 975 CO 0.34 0.00 1.08 -0.76 -1.33 0.00 0.00 177.39 176.72 3iaq s LEU 976 N -2.41 4.25 -0.15 2.23 1.43 -1.03 -5.02 118.68 117.97 3iaq s LEU 976 Ca 0.34 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 55.25 3iaq s LEU 976 Cb 0.21 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3iaq s LEU 976 CO 0.44 -0.72 0.04 -1.38 0.23 0.00 0.00 176.35 174.96 3iaq s HIS 977 N 2.95 3.23 0.12 0.29 -3.43 -1.26 -5.06 115.29 112.12 3iaq s HIS 977 Ca 0.59 0.08 -0.31 0.00 -0.80 0.00 0.00 55.06 54.61 3iaq s HIS 977 Cb -0.26 -1.99 -0.10 0.00 -1.43 0.00 0.00 32.58 28.80 3iaq s HIS 977 CO 0.21 0.24 1.82 0.00 -2.00 0.00 0.00 174.74 175.00 3iaq s ALA 978 N -0.00 3.76 0.74 -1.38 0.00 -1.26 -4.84 121.76 118.77 3iaq s ALA 978 Ca 0.05 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 3iaq s ALA 978 Cb -0.12 -3.76 0.03 0.00 0.00 0.00 0.00 23.12 19.27 3iaq s ALA 978 CO 0.01 -1.22 1.12 -1.21 0.00 0.00 0.00 175.76 174.47 3iaq s GLU 979 N 2.73 2.58 0.28 0.00 2.02 -0.13 -5.01 118.70 121.16 3iaq s GLU 979 Ca 0.80 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 3iaq s GLU 979 Cb -0.46 -2.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 3iaq s GLU 979 CO 0.36 -1.21 1.40 -2.00 0.02 0.00 0.00 175.26 173.84 3iaq s GLU 980 N -5.43 4.28 2.80 1.61 2.12 -1.26 -4.77 118.70 118.06 3iaq s GLU 980 Ca 0.59 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.21 3iaq s GLU 980 Cb -0.11 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.19 3iaq s GLU 980 CO 0.51 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 3iaq n GLY 981 N 1.74 -0.27 2.74 -1.50 0.00 -1.26 -4.84 105.19 101.79 3iaq n GLY 981 Ca 0.05 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 3iaq n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iaq s THR 982 N 0.00 0.25 -0.18 2.61 2.01 -0.76 -4.69 115.64 114.88 3iaq s THR 982 Ca 0.00 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 3iaq s THR 982 Cb 0.00 -0.48 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 3iaq s THR 982 CO 0.00 0.18 1.09 0.26 -0.69 0.00 0.00 174.62 175.46 3iaq s TRP 983 N 2.02 3.26 -0.17 4.92 0.52 0.13 -1.67 118.94 127.95 3iaq s TRP 983 Ca 0.04 1.38 -0.03 0.00 0.02 0.00 0.00 56.10 57.52 3iaq s TRP 983 Cb -0.13 -3.31 -0.02 0.00 -1.15 0.00 0.00 33.47 28.86 3iaq s TRP 983 CO -0.05 -0.74 -0.07 -1.17 0.02 0.00 0.00 176.95 174.95 3iaq s LEU 984 N 2.97 2.96 -0.25 2.99 2.96 -0.50 -1.85 118.68 127.95 3iaq s LEU 984 Ca 0.48 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3iaq s LEU 984 Cb -0.18 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.85 3iaq s LEU 984 CO 0.11 0.10 -0.11 0.20 -1.32 0.00 0.00 176.35 175.33 3iaq s ASN 985 N 0.75 4.27 -0.27 3.68 0.01 -0.22 -2.24 114.94 120.92 3iaq s ASN 985 Ca -0.03 -1.23 -0.01 0.00 -0.71 0.00 0.00 52.86 50.88 3iaq s ASN 985 Cb -0.15 -1.56 0.04 0.00 0.41 0.00 0.00 41.25 39.99 3iaq s ASN 985 CO 0.02 -0.16 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.77 3iaq s ILE 986 N 1.16 2.76 -0.05 0.60 1.01 -0.53 -1.62 121.20 124.52 3iaq s ILE 986 Ca -0.06 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 3iaq s ILE 986 Cb -0.19 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3iaq s ILE 986 CO -0.06 0.04 0.03 -1.81 0.00 0.00 0.00 174.94 173.14 3iaq s ASP 987 N 1.25 5.42 0.15 3.58 1.01 0.11 0.35 116.67 128.54 3iaq s ASP 987 Ca -0.04 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.37 3iaq s ASP 987 Cb -0.18 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 3iaq s ASP 987 CO -0.03 0.34 1.36 1.23 0.21 0.00 0.00 175.17 178.27 3iaq h GLY 988 N 4.75 0.30 -5.80 0.21 0.00 -1.37 0.14 103.07 101.30 3iaq h GLY 988 Ca -0.50 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.11 3iaq h GLY 988 CO 0.57 0.46 -0.50 -1.36 0.00 0.00 0.00 176.54 175.71 3iaq s PHE 989 N -3.24 -0.26 -0.02 5.60 0.08 -0.99 -4.65 117.98 114.50 3iaq s PHE 989 Ca -0.04 0.64 0.04 0.00 0.12 0.00 0.00 56.93 57.69 3iaq s PHE 989 Cb 0.10 0.04 -0.01 0.00 -0.57 0.00 0.00 43.02 42.58 3iaq s PHE 989 CO 0.84 -0.17 -0.15 -1.58 -0.10 0.00 0.00 175.22 174.06 3iaq s HIS 990 N 0.77 1.38 0.65 0.36 2.46 -1.26 -0.51 115.29 119.15 3iaq s HIS 990 Ca -0.05 -0.32 -0.16 0.00 0.47 0.00 0.00 55.06 55.00 3iaq s HIS 990 Cb -0.07 -0.92 -0.00 0.00 -0.13 0.00 0.00 32.58 31.46 3iaq s HIS 990 CO -0.04 -0.08 1.14 1.41 -2.47 0.00 0.00 174.74 174.69 3iaq s MET 991 N -0.15 2.77 0.83 2.88 1.75 -0.24 -4.77 119.30 122.38 3iaq s MET 991 Ca 0.02 1.52 -0.12 0.00 -1.25 0.00 0.00 55.69 55.86 3iaq s MET 991 Cb -0.08 -1.94 0.10 0.00 2.84 0.00 0.00 34.83 35.75 3iaq s MET 991 CO 0.00 -1.29 1.16 0.20 -0.65 0.00 0.00 175.02 174.44 3iaq s GLY 992 N -2.30 1.89 0.07 2.11 0.00 -0.12 -4.71 107.32 104.26 3iaq s GLY 992 Ca 0.70 0.63 0.16 0.00 0.00 0.00 0.00 44.72 46.21 3iaq s GLY 992 CO 0.39 1.03 0.88 0.16 0.00 0.00 0.00 173.10 175.56 3iaq h ILE 993 N -1.27 0.57 -0.56 0.90 3.07 -1.91 -3.48 117.51 114.83 3iaq h ILE 993 Ca -0.44 -2.07 0.00 0.00 1.55 0.00 0.00 64.86 63.89 3iaq h ILE 993 Cb 1.27 2.10 0.00 0.00 -0.27 0.00 0.00 36.82 39.92 3iaq h ILE 993 CO 0.46 0.32 0.00 0.61 -1.05 0.00 0.00 178.15 178.49 3iaq n GLY 994 N 1.39 -1.01 0.00 0.16 0.00 -1.26 -4.74 105.19 99.72 3iaq n GLY 994 Ca -0.09 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3iaq n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 995 N 0.00 0.01 0.38 -0.02 0.00 -1.26 -2.06 105.19 102.23 3iaq n GLY 995 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3iaq n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iaq h ASP 996 N 0.00 0.37 -5.38 1.61 3.32 -1.80 -0.59 116.42 113.96 3iaq h ASP 996 Ca 0.00 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 3iaq h ASP 996 Cb 0.00 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.41 3iaq h ASP 996 CO 0.00 0.20 -0.15 1.51 -1.72 0.00 0.00 179.24 179.07 3iaq s ASP 997 N -6.00 0.42 -0.24 6.45 1.47 -1.26 -4.21 116.67 113.31 3iaq s ASP 997 Ca -0.08 -1.25 0.10 0.00 1.18 0.00 0.00 52.55 52.50 3iaq s ASP 997 Cb 0.21 0.63 0.44 0.00 -0.34 0.00 0.00 42.92 43.86 3iaq s ASP 997 CO 0.76 -1.24 1.24 -1.20 0.68 0.00 0.00 175.17 175.41 3iaq n SER 998 N -0.96 2.41 0.00 2.11 7.64 -1.26 -4.65 113.62 118.92 3iaq n SER 998 Ca -0.01 -3.87 0.00 0.00 1.01 0.00 0.00 58.87 56.00 3iaq n SER 998 Cb 0.62 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3iaq n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3iaq n TRP 999 N -1.04 0.00 -3.80 1.43 2.14 -1.26 -4.28 117.44 110.63 3iaq n TRP 999 Ca 0.25 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.70 3iaq n TRP 999 Cb 0.77 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.19 3iaq n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3iaq s SER 1000N -0.02 -0.09 -0.20 -0.67 1.04 -1.26 -4.37 113.70 108.14 3iaq s SER 1000Ca 0.00 -0.13 -0.41 0.00 0.48 0.00 0.00 55.95 55.89 3iaq s SER 1000Cb 0.00 0.30 -0.18 0.00 0.10 0.00 0.00 66.02 66.24 3iaq s SER 1000CO 0.00 -0.50 1.46 -2.65 0.98 0.00 0.00 173.24 172.53 3iaq n PRO 1001N 1.00 0.57 0.00 4.02 -0.02 -1.26 -4.78 135.00 134.53 3iaq n PRO 1001Ca -0.20 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3iaq n PRO 1001Cb 0.57 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3iaq n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3iaq n SER 1002N 3.50 0.32 -4.68 2.55 3.41 -1.26 -5.01 113.62 112.45 3iaq n SER 1002Ca 0.24 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 3iaq n SER 1002Cb 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3iaq n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iaq s VAL 1003N -0.00 3.86 0.44 -3.33 1.01 -1.26 -4.32 120.40 116.81 3iaq s VAL 1003Ca 0.00 1.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 3iaq s VAL 1003Cb 0.00 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 3iaq s VAL 1003CO 0.00 -0.04 1.30 -0.55 0.00 0.00 0.00 175.10 175.81 3iaq s SER 1004N 2.06 6.07 0.30 3.32 0.15 -1.26 -4.91 113.70 119.42 3iaq s SER 1004Ca 0.63 2.63 0.05 0.00 0.70 0.00 0.00 55.95 59.96 3iaq s SER 1004Cb -0.29 -2.63 0.74 0.00 -1.71 0.00 0.00 66.02 62.13 3iaq s SER 1004CO 0.24 -1.02 1.75 0.00 1.20 0.00 0.00 173.24 175.41 3iaq h ALA 1005N 2.32 1.59 0.00 5.45 0.00 -1.96 -0.57 119.26 126.09 3iaq h ALA 1005Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3iaq h ALA 1005Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iaq h ALA 1005CO 0.61 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 178.85 3iaq n GLU 1006N -4.86 0.18 -0.35 0.00 0.00 -1.26 -1.78 120.64 112.57 3iaq n GLU 1006Ca 0.23 0.47 0.07 0.00 0.00 0.00 0.00 57.16 57.94 3iaq n GLU 1006Cb 0.61 -1.89 0.23 0.00 0.00 0.00 0.00 31.44 30.38 3iaq n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3iaq n PHE 1007N -2.25 0.82 -3.68 -1.84 3.72 -0.23 -4.97 117.46 109.04 3iaq n PHE 1007Ca 0.01 -0.64 -0.37 0.00 -0.05 0.00 0.00 57.45 56.40 3iaq n PHE 1007Cb 0.18 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 3iaq n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iaq s GLN 1008N -1.75 3.69 -0.92 -1.08 -0.21 -0.73 -0.95 119.66 117.71 3iaq s GLN 1008Ca 0.35 0.14 -0.23 0.00 0.02 0.00 0.00 55.36 55.64 3iaq s GLN 1008Cb 0.23 -3.18 0.06 0.00 1.00 0.00 0.00 33.01 31.13 3iaq s GLN 1008CO 0.16 0.71 1.32 -0.51 -2.12 0.00 0.00 175.29 174.84 3iaq s LEU 1009N -1.20 3.83 -0.01 2.90 1.43 -1.26 -4.69 118.68 119.67 3iaq s LEU 1009Ca 0.22 -1.36 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3iaq s LEU 1009Cb -0.14 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.58 3iaq s LEU 1009CO 0.11 -1.47 0.74 -1.54 0.23 0.00 0.00 176.35 174.41 3iaq n SER 1010N 8.41 0.58 0.29 2.29 3.41 -1.26 -4.19 113.62 123.14 3iaq n SER 1010Ca 0.23 -1.53 0.18 0.00 -0.26 0.00 0.00 58.87 57.49 3iaq n SER 1010Cb 0.50 -0.07 0.80 0.00 -0.26 0.00 0.00 64.21 65.18 3iaq n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq h ALA 1011N 0.00 1.02 0.00 7.33 0.00 -1.97 -3.47 119.26 122.17 3iaq h ALA 1011Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iaq h ALA 1011Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3iaq h ALA 1011CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3iaq n GLY 1012N -0.25 2.08 2.87 0.00 0.00 -1.26 -4.91 105.19 103.72 3iaq n GLY 1012Ca -0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 3iaq n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iaq s ARG 1013N 0.00 1.16 0.07 1.61 0.52 -1.26 -0.14 118.95 120.91 3iaq s ARG 1013Ca 0.00 -0.13 0.09 0.00 -0.52 0.00 0.00 55.73 55.17 3iaq s ARG 1013Cb 0.00 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 3iaq s ARG 1013CO 0.00 -0.23 -0.25 0.71 0.02 0.00 0.00 175.30 175.55 3iaq s TYR 1014N 1.62 2.13 -0.03 -0.53 1.51 0.35 -4.97 117.35 117.43 3iaq s TYR 1014Ca 0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3iaq s TYR 1014Cb -0.13 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 3iaq s TYR 1014CO -0.05 0.18 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.87 3iaq s HIS 1015N -0.90 1.09 0.01 2.71 5.65 -1.26 -0.43 115.29 122.16 3iaq s HIS 1015Ca 0.11 -0.27 -0.19 0.00 0.25 0.00 0.00 55.06 54.96 3iaq s HIS 1015Cb -0.10 -0.76 0.04 0.00 -1.18 0.00 0.00 32.58 30.58 3iaq s HIS 1015CO 0.03 -0.10 0.42 1.52 -0.65 0.00 0.00 174.74 175.96 3iaq s TYR 1016N 0.09 -0.30 -0.02 3.88 -0.85 -0.63 -5.02 117.35 114.49 3iaq s TYR 1016Ca -0.02 0.37 0.01 0.00 -0.52 0.00 0.00 57.07 56.91 3iaq s TYR 1016Cb -0.08 0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.48 3iaq s TYR 1016CO 0.01 -0.52 -0.03 1.14 -1.52 0.00 0.00 175.55 174.63 3iaq s GLN 1017N -1.94 0.47 0.06 -3.49 -2.07 -1.26 -0.76 119.66 110.66 3iaq s GLN 1017Ca -0.09 -0.05 0.08 0.00 -1.82 0.00 0.00 55.36 53.48 3iaq s GLN 1017Cb -0.02 -0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 31.34 3iaq s GLN 1017CO 0.01 -0.04 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.21 3iaq s LEU 1018N 0.61 2.21 -0.23 2.60 1.43 -0.28 -4.32 118.68 120.71 3iaq s LEU 1018Ca -0.07 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 3iaq s LEU 1018Cb -0.10 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3iaq s LEU 1018CO -0.01 0.15 -0.02 -0.69 0.23 0.00 0.00 176.35 176.01 3iaq s VAL 1019N -0.90 3.52 -0.27 -1.59 1.01 0.15 -0.03 120.40 122.29 3iaq s VAL 1019Ca 0.08 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3iaq s VAL 1019Cb -0.09 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3iaq s VAL 1019CO 0.03 0.40 0.09 0.86 0.00 0.00 0.00 175.10 176.48 3iaq s TRP 1020N 1.50 3.12 0.16 5.22 -0.11 0.67 -1.22 118.94 128.28 3iaq s TRP 1020Ca 0.06 -0.52 -0.10 0.00 1.22 0.00 0.00 56.10 56.76 3iaq s TRP 1020Cb -0.14 -2.27 -0.00 0.00 -1.50 0.00 0.00 33.47 29.55 3iaq s TRP 1020CO -0.02 -0.41 0.30 0.00 -4.62 0.00 0.00 176.95 172.21 3iaq s GLN 1022N -3.95 4.38 0.00 0.00 0.74 -1.26 -0.67 119.66 118.89 3iaq s GLN 1022Ca 0.16 0.92 0.29 0.00 0.05 0.00 0.00 55.36 56.77 3iaq s GLN 1022Cb 0.03 -3.50 1.73 0.00 1.10 0.00 0.00 33.01 32.37 3iaq s GLN 1022CO -0.01 -0.08 2.06 0.36 -0.55 0.00 0.00 175.29 177.07