#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 2.17 0.29 5.56 1.74 -1.26 -4.95 116.66 120.22 3iaq n ARG 14 Ca 0.00 -4.51 0.15 0.00 -0.77 0.00 0.00 57.85 52.72 3iaq n ARG 14 Cb 0.00 -2.20 0.90 0.00 -1.02 0.00 0.00 32.46 30.14 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 4.57 0.00 0.18 0.55 3.32 -1.94 0.58 116.42 123.68 3iaq h ASP 15 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3iaq h ASP 15 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3iaq h ASP 15 CO 0.77 0.03 0.00 -2.67 -1.72 0.00 0.00 179.24 175.66 3iaq n TRP 16 N -3.67 0.00 -2.45 4.55 2.14 -1.26 -3.13 117.44 113.62 3iaq n TRP 16 Ca -0.03 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.30 3iaq n TRP 16 Cb 0.13 -0.12 0.01 0.00 -0.81 0.00 0.00 31.31 30.52 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 -1.12 3.20 -3.16 -2.67 1.02 0.20 0.37 120.64 118.48 3iaq n GLU 17 Ca 0.15 -4.33 0.03 0.00 -0.02 0.00 0.00 57.16 53.00 3iaq n GLU 17 Cb 0.12 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.39 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 -3.51 -1.37 0.15 1.62 2.47 -1.18 -4.73 114.94 108.38 3iaq s ASN 18 Ca 0.46 0.68 0.20 0.00 0.42 0.00 0.00 52.86 54.62 3iaq s ASN 18 Cb 0.41 2.09 0.84 0.00 -1.45 0.00 0.00 41.25 43.14 3iaq s ASN 18 CO -0.14 -0.27 1.62 -0.81 -3.72 0.00 0.00 177.10 173.78 3iaq n PRO 19 N 5.42 0.12 0.05 0.43 -0.04 -1.26 -2.24 135.00 137.48 3iaq n PRO 19 Ca 0.00 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.69 3iaq n PRO 19 Cb 0.52 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.51 0.49 -7.33 0.55 0.00 -1.94 -3.38 103.07 93.96 3iaq h GLY 20 Ca 0.00 -0.72 -0.73 0.00 0.00 0.00 0.00 47.33 45.89 3iaq h GLY 20 CO 0.00 0.64 -0.38 0.14 0.00 0.00 0.00 176.54 176.94 3iaq s VAL 21 N -3.56 4.19 -1.15 4.60 1.01 -0.95 -4.88 120.40 119.67 3iaq s VAL 21 Ca -0.06 -1.88 0.17 0.00 0.00 0.00 0.00 61.98 60.21 3iaq s VAL 21 Cb 0.10 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3iaq s VAL 21 CO 0.85 -0.79 0.79 0.35 0.00 0.00 0.00 175.10 176.30 3iaq n THR 22 N 4.80 0.00 -3.49 3.92 -2.24 -1.26 -4.77 114.28 111.23 3iaq n THR 22 Ca -0.06 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 3iaq n THR 22 Cb 0.41 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.28 0.97 -0.03 -0.78 1.03 -1.26 -1.24 119.66 116.06 3iaq s GLN 23 Ca 0.10 -0.23 -0.01 0.00 0.04 0.00 0.00 55.36 55.27 3iaq s GLN 23 Cb 0.13 0.45 0.03 0.00 0.03 0.00 0.00 33.01 33.65 3iaq s GLN 23 CO 0.56 -0.40 0.05 -0.51 -2.54 0.00 0.00 175.29 172.45 3iaq s LEU 24 N -2.23 0.87 -1.90 2.60 1.43 0.32 -4.89 118.68 114.87 3iaq s LEU 24 Ca 0.01 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3iaq s LEU 24 Cb -0.01 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.19 3iaq s LEU 24 CO -0.07 -0.15 0.00 0.59 0.23 0.00 0.00 176.35 176.95 3iaq n ASN 25 N 4.38 -5.43 -4.79 2.29 3.02 -1.26 -1.27 115.26 112.19 3iaq n ASN 25 Ca -0.24 0.44 -0.38 0.00 -0.03 0.00 0.00 54.58 54.38 3iaq n ASN 25 Cb 0.50 -4.59 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 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 -3.51 4.50 0.51 3.52 3.52 -1.26 -4.62 118.95 121.60 3iaq s ARG 26 Ca 0.00 1.13 -0.12 0.00 -0.13 0.00 0.00 55.73 56.61 3iaq s ARG 26 Cb 0.00 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.28 3iaq s ARG 26 CO 0.00 0.46 0.91 -0.51 -0.81 0.00 0.00 175.30 175.34 3iaq s LEU 27 N -1.58 3.58 0.43 -0.88 1.43 0.15 -5.00 118.68 116.80 3iaq s LEU 27 Ca 0.41 1.32 -0.26 0.00 -1.03 0.00 0.00 54.13 54.57 3iaq s LEU 27 Cb -0.20 -4.27 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 3iaq s LEU 27 CO 0.25 -0.60 1.37 0.00 0.23 0.00 0.00 176.35 177.59 3iaq n ALA 28 N -1.89 1.77 -1.80 4.21 0.00 -1.26 -4.62 120.51 116.91 3iaq n ALA 28 Ca 0.04 0.26 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 3iaq n ALA 28 Cb 0.54 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 3iaq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaq s ALA 29 N -1.19 2.91 0.19 0.00 0.00 -1.26 -5.01 121.76 117.41 3iaq s ALA 29 Ca 0.60 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 3iaq s ALA 29 Cb -0.48 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.47 3iaq s ALA 29 CO 0.58 -0.23 0.71 -3.38 0.00 0.00 0.00 175.76 173.44 3iaq s HIS 30 N -2.06 -0.34 0.87 0.00 -3.43 -1.25 -4.82 115.29 104.27 3iaq s HIS 30 Ca 0.66 0.03 -0.11 0.00 -0.80 0.00 0.00 55.06 54.84 3iaq s HIS 30 Cb -0.15 0.63 0.11 0.00 -1.43 0.00 0.00 32.58 31.75 3iaq s HIS 30 CO 0.19 -0.98 1.09 -2.14 -2.00 0.00 0.00 174.74 170.91 3iaq s PRO 31 N -3.72 1.45 0.01 -0.38 0.02 -0.79 -4.18 135.00 127.42 3iaq s PRO 31 Ca 0.06 1.01 -0.35 0.00 0.02 0.00 0.00 61.00 61.74 3iaq s PRO 31 Cb -0.03 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 3iaq s PRO 31 CO -0.03 -2.16 1.65 -2.30 -0.33 0.00 0.00 177.00 173.83 3iaq n PRO 32 N -3.85 1.82 -4.18 5.54 -0.02 -1.26 -4.99 135.00 128.05 3iaq n PRO 32 Ca 0.08 0.66 -0.26 0.00 -2.02 0.00 0.00 63.50 61.96 3iaq n PRO 32 Cb 0.54 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.18 2.91 0.00 6.00 0.08 -1.26 -4.79 117.98 123.10 3iaq s PHE 33 Ca 0.87 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.80 3iaq s PHE 33 Cb -0.79 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 3iaq s PHE 33 CO 0.48 0.53 0.00 0.00 -0.10 0.00 0.00 175.22 176.13 3iaq n ALA 34 N -0.27 0.23 -3.86 5.36 0.00 -1.26 -5.05 120.51 115.67 3iaq n ALA 34 Ca -0.09 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 3iaq n ALA 34 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.11 -4.81 -4.77 0.00 2.88 -1.26 -4.21 113.62 101.35 3iaq n SER 35 Ca 0.00 -1.15 -0.39 0.00 -1.33 0.00 0.00 58.87 56.01 3iaq n SER 35 Cb 0.01 -2.62 -0.01 0.00 -0.75 0.00 0.00 64.21 60.84 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 -3.49 2.96 -0.33 0.66 0.51 -0.73 -4.68 118.94 113.84 3iaq s TRP 36 Ca 0.49 1.49 0.16 0.00 -2.12 0.00 0.00 56.10 56.12 3iaq s TRP 36 Cb -0.22 -3.52 0.54 0.00 -0.81 0.00 0.00 33.47 29.47 3iaq s TRP 36 CO 0.91 -1.66 1.45 0.54 -0.51 0.00 0.00 176.95 177.68 3iaq n ARG 37 N 0.10 3.17 -3.69 4.98 5.12 -1.26 -0.49 116.66 124.60 3iaq n ARG 37 Ca 0.04 -2.78 -0.14 0.00 -1.93 0.00 0.00 57.85 53.04 3iaq n ARG 37 Cb 0.45 -1.82 -0.14 0.00 -1.16 0.00 0.00 32.46 29.79 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 -1.64 0.33 0.26 0.55 3.84 -1.26 -4.99 114.94 112.02 3iaq s ASN 38 Ca 0.41 0.45 -0.02 0.00 0.21 0.00 0.00 52.86 53.92 3iaq s ASN 38 Cb 0.32 0.44 0.32 0.00 -0.55 0.00 0.00 41.25 41.78 3iaq s ASN 38 CO 0.11 -0.22 1.73 0.28 -2.79 0.00 0.00 177.10 176.22 3iaq h SER 39 N 8.00 0.72 0.10 -4.21 0.02 -1.97 -2.78 113.55 113.43 3iaq h SER 39 Ca -0.22 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.41 3iaq h SER 39 Cb 1.12 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3iaq h SER 39 CO 0.21 0.84 -0.41 -0.08 -1.14 0.00 0.00 176.83 176.26 3iaq h GLU 40 N 0.68 0.40 0.00 3.45 4.57 -1.99 -1.57 114.58 120.11 3iaq h GLU 40 Ca 0.12 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 3iaq h GLU 40 Cb 0.53 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3iaq h GLU 40 CO 0.03 0.74 -0.35 0.93 -1.18 0.00 0.00 179.01 179.18 3iaq h GLU 41 N 0.33 0.00 -0.08 1.92 4.39 -1.92 -1.48 114.58 117.74 3iaq h GLU 41 Ca 0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 3iaq h GLU 41 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3iaq h GLU 41 CO 0.07 0.35 -0.20 0.00 -1.16 0.00 0.00 179.01 178.08 3iaq h ALA 42 N 1.65 0.14 -0.80 3.43 0.00 -1.20 -2.44 119.26 120.04 3iaq h ALA 42 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3iaq h ALA 42 Cb 0.64 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3iaq h ALA 42 CO 0.05 0.08 0.34 -0.09 0.00 0.00 0.00 179.25 179.62 3iaq h ARG 43 N -0.19 1.18 -0.05 0.00 2.43 -1.10 -2.54 114.38 114.12 3iaq h ARG 43 Ca -0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3iaq h ARG 43 Cb 0.80 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3iaq h ARG 43 CO 0.04 0.94 0.00 0.25 -1.51 0.00 0.00 179.97 179.69 3iaq n THR 44 N -4.28 0.05 -2.11 0.20 -2.24 -0.57 -4.92 114.28 100.41 3iaq n THR 44 Ca 0.07 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 3iaq n THR 44 Cb 0.17 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.19 -4.84 -4.82 3.42 2.03 -0.96 -4.97 116.55 106.23 3iaq n ASP 45 Ca 0.19 0.19 -0.30 0.00 0.52 0.00 0.00 54.79 55.39 3iaq n ASP 45 Cb 0.25 -4.16 0.08 0.00 -0.72 0.00 0.00 41.12 36.57 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 -4.50 2.34 0.41 -0.67 0.52 -0.94 -4.98 118.95 111.13 3iaq s ARG 46 Ca 0.00 0.66 -0.24 0.00 -0.52 0.00 0.00 55.73 55.62 3iaq s ARG 46 Cb 0.00 -1.95 -0.11 0.00 0.52 0.00 0.00 34.95 33.41 3iaq s ARG 46 CO 0.00 -1.44 0.96 -2.30 0.02 0.00 0.00 175.30 172.54 3iaq n PRO 47 N -3.32 1.27 -4.12 3.54 -0.02 -1.26 -4.85 135.00 126.24 3iaq n PRO 47 Ca 0.07 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 3iaq n PRO 47 Cb 0.56 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 3iaq n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iaq s SER 48 N -0.74 5.25 0.56 2.55 0.15 -1.26 -4.98 113.70 115.22 3iaq s SER 48 Ca 0.63 -0.04 0.38 0.00 0.70 0.00 0.00 55.95 57.62 3iaq s SER 48 Cb -0.58 -1.89 1.98 0.00 -1.71 0.00 0.00 66.02 63.82 3iaq s SER 48 CO 0.57 0.15 2.15 1.56 1.20 0.00 0.00 173.24 178.86 3iaq h GLN 49 N 6.90 0.00 -0.00 5.44 1.08 -1.92 -1.85 115.11 124.75 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 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3iaq h GLN 49 CO 0.66 0.00 -0.28 1.04 -0.95 0.00 0.00 178.83 179.30 3iaq n GLN 50 N -2.86 0.58 -3.80 1.46 3.00 -1.26 -4.55 117.38 109.95 3iaq n GLN 50 Ca -0.02 -0.31 -0.35 0.00 -0.01 0.00 0.00 57.00 56.31 3iaq n GLN 50 Cb 0.09 -1.49 -0.11 0.00 0.00 0.00 0.00 30.24 28.73 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 -2.63 5.06 -0.03 1.08 2.96 -0.70 -1.13 118.68 123.30 3iaq s LEU 51 Ca 0.22 -2.54 -0.17 0.00 -0.22 0.00 0.00 54.13 51.41 3iaq s LEU 51 Cb 0.19 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3iaq s LEU 51 CO 0.56 -0.41 0.46 -0.13 -1.32 0.00 0.00 176.35 175.51 3iaq s ARG 52 N 0.39 4.12 0.26 1.98 0.52 0.16 -4.76 118.95 121.62 3iaq s ARG 52 Ca 0.14 0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 55.59 3iaq s ARG 52 Cb -0.22 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 31.86 3iaq s ARG 52 CO -0.04 0.49 0.86 0.45 0.02 0.00 0.00 175.30 177.09 3iaq s SER 53 N -0.49 7.31 -0.06 0.23 0.15 -1.26 -0.32 113.70 119.26 3iaq s SER 53 Ca 0.25 1.71 0.12 0.00 0.70 0.00 0.00 55.95 58.73 3iaq s SER 53 Cb -0.17 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 61.96 3iaq s SER 53 CO 0.13 0.03 1.28 0.18 1.20 0.00 0.00 173.24 176.06 3iaq n LEU 54 N 0.86 3.11 -4.76 3.45 4.77 0.02 -4.86 117.00 119.60 3iaq n LEU 54 Ca -0.01 -2.38 -0.37 0.00 -0.03 0.00 0.00 56.01 53.22 3iaq n LEU 54 Cb 0.50 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3iaq n LEU 54 CO 0.45 0.69 0.89 0.20 -1.33 0.00 0.00 177.39 178.29 3iaq s ASN 55 N -1.39 5.56 0.00 -1.43 0.01 -1.23 -4.83 114.94 111.63 3iaq s ASN 55 Ca 0.27 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.92 3iaq s ASN 55 Cb 0.19 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3iaq s ASN 55 CO 0.11 -1.35 0.00 0.61 -1.51 0.00 0.00 177.10 174.96 3iaq n GLY 56 N 0.56 0.47 3.57 0.66 0.00 -0.66 -5.01 105.19 104.79 3iaq n GLY 56 Ca 0.10 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.95 3.70 0.54 1.61 2.02 -1.26 -0.68 118.70 122.68 3iaq s GLU 57 Ca 0.00 0.10 0.06 0.00 0.02 0.00 0.00 54.97 55.15 3iaq s GLU 57 Cb 0.00 -3.80 0.04 0.00 0.10 0.00 0.00 34.13 30.47 3iaq s GLU 57 CO 0.00 -0.74 0.45 -1.58 0.02 0.00 0.00 175.26 173.42 3iaq s TRP 58 N 2.75 1.63 -0.09 1.61 0.52 0.43 -4.93 118.94 120.86 3iaq s TRP 58 Ca 0.25 -0.81 -0.01 0.00 0.02 0.00 0.00 56.10 55.55 3iaq s TRP 58 Cb -0.14 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 3iaq s TRP 58 CO 0.15 -0.55 -0.04 1.03 0.02 0.00 0.00 176.95 177.56 3iaq s ARG 59 N -4.33 2.97 -0.00 4.98 1.81 0.12 -1.32 118.95 123.18 3iaq s ARG 59 Ca 0.38 -0.50 0.01 0.00 -1.72 0.00 0.00 55.73 53.91 3iaq s ARG 59 Cb -0.03 -2.71 -0.00 0.00 -0.45 0.00 0.00 34.95 31.76 3iaq s ARG 59 CO 0.24 0.61 -0.03 0.12 -0.68 0.00 0.00 175.30 175.56 3iaq s PHE 60 N -0.66 0.31 -0.01 -0.53 5.36 -0.31 -0.84 117.98 121.29 3iaq s PHE 60 Ca 0.10 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 3iaq s PHE 60 Cb -0.12 -0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.38 3iaq s PHE 60 CO 0.02 -0.01 0.00 0.00 -1.46 0.00 0.00 175.22 173.77 3iaq s ALA 61 N -0.14 0.13 -0.06 11.12 0.00 -0.64 -1.19 121.76 130.98 3iaq s ALA 61 Ca 0.01 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 3iaq s ALA 61 Cb -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3iaq s ALA 61 CO -0.00 -0.03 0.38 -0.46 0.00 0.00 0.00 175.76 175.65 3iaq s TRP 62 N 0.47 3.63 -0.00 0.00 -0.00 -1.26 -1.14 118.94 120.63 3iaq s TRP 62 Ca -0.04 0.87 0.03 0.00 -0.00 0.00 0.00 56.10 56.96 3iaq s TRP 62 Cb -0.06 -2.32 -0.01 0.00 -0.00 0.00 0.00 33.47 31.07 3iaq s TRP 62 CO -0.01 0.49 -0.10 -0.06 -0.00 0.00 0.00 176.95 177.27 3iaq s PHE 63 N -0.49 0.91 -0.23 5.86 0.08 0.20 -5.01 117.98 119.31 3iaq s PHE 63 Ca 0.22 -0.19 0.26 0.00 0.12 0.00 0.00 56.93 57.35 3iaq s PHE 63 Cb -0.15 -0.58 1.20 0.00 -0.57 0.00 0.00 43.02 42.91 3iaq s PHE 63 CO 0.10 -0.01 1.80 -1.00 -0.10 0.00 0.00 175.22 176.01 3iaq h PRO 64 N 5.81 0.00 -2.07 0.24 0.13 -1.85 0.57 132.00 134.83 3iaq h PRO 64 Ca -0.32 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.90 3iaq h PRO 64 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 3iaq h PRO 64 CO 0.49 0.00 0.48 0.00 -0.23 0.00 0.00 178.00 178.74 3iaq s ALA 65 N -3.49 -1.84 0.48 -0.56 0.00 -1.20 -1.34 121.76 113.81 3iaq s ALA 65 Ca 0.02 1.19 0.36 0.00 0.00 0.00 0.00 51.96 53.52 3iaq s ALA 65 Cb 0.09 0.07 1.88 0.00 0.00 0.00 0.00 23.12 25.16 3iaq s ALA 65 CO 0.38 -0.56 2.20 -1.00 0.00 0.00 0.00 175.76 176.78 3iaq h PRO 66 N 2.24 0.00 0.00 0.00 0.13 -1.87 -1.68 132.00 130.82 3iaq h PRO 66 Ca -0.22 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 3iaq h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3iaq h PRO 66 CO 0.32 0.03 -0.26 0.93 -0.23 0.00 0.00 178.00 178.79 3iaq h GLU 67 N 0.00 0.00 -0.00 0.86 3.07 -1.94 -2.91 114.58 113.65 3iaq h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iaq h GLU 67 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3iaq h GLU 67 CO 0.00 0.26 -0.13 0.00 -1.40 0.00 0.00 179.01 177.75 3iaq n ALA 68 N -2.39 2.73 -2.39 3.43 0.00 -0.63 -4.79 120.51 116.46 3iaq n ALA 68 Ca -0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 3iaq n ALA 68 Cb 0.34 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3iaq n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iaq s VAL 69 N -2.69 4.06 0.61 0.00 1.01 -1.10 -5.00 120.40 117.28 3iaq s VAL 69 Ca 0.23 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 3iaq s VAL 69 Cb 0.19 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3iaq s VAL 69 CO 0.52 -0.56 1.12 -2.16 0.00 0.00 0.00 175.10 174.02 3iaq s PRO 70 N 4.41 3.02 0.21 2.72 0.04 -1.26 -4.96 135.00 139.19 3iaq s PRO 70 Ca 0.58 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 3iaq s PRO 70 Cb -0.16 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.56 3iaq s PRO 70 CO 0.26 -1.09 1.71 0.93 0.04 0.00 0.00 177.00 178.85 3iaq h GLU 71 N 0.50 1.06 -0.69 4.56 3.07 -1.98 -3.05 114.58 118.04 3iaq h GLU 71 Ca -0.48 -0.28 0.20 0.00 -0.50 0.00 0.00 59.36 58.30 3iaq h GLU 71 Cb 1.25 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.01 3iaq h GLU 71 CO 0.55 0.98 0.59 0.66 -1.40 0.00 0.00 179.01 180.39 3iaq h SER 72 N 0.99 0.00 -0.52 1.42 4.64 -1.92 -2.50 113.55 115.66 3iaq h SER 72 Ca 0.19 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.62 3iaq h SER 72 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3iaq h SER 72 CO 0.01 0.00 0.36 -0.25 -0.87 0.00 0.00 176.83 176.08 3iaq h TRP 73 N 0.00 0.27 -0.40 4.77 7.01 -1.63 0.12 115.95 126.09 3iaq h TRP 73 Ca 0.33 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.24 3iaq h TRP 73 Cb 1.51 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 3iaq h TRP 73 CO 0.00 0.12 -0.13 -0.07 -2.79 0.00 0.00 178.44 175.57 3iaq h LEU 74 N 0.25 0.80 0.00 0.65 3.38 -1.69 -3.26 115.31 115.44 3iaq h LEU 74 Ca 0.24 -0.38 -0.26 0.00 0.09 0.00 0.00 57.88 57.57 3iaq h LEU 74 Cb 0.63 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3iaq h LEU 74 CO -0.05 1.00 -1.55 -0.33 0.09 0.00 0.00 178.44 177.60 3iaq h GLU 75 N 0.60 0.00 -3.48 1.13 4.39 -1.65 -3.30 114.58 112.27 3iaq h GLU 75 Ca 0.10 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.60 3iaq h GLU 75 Cb 0.67 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.06 3iaq h GLU 75 CO 0.05 0.54 -0.58 0.00 -1.16 0.00 0.00 179.01 177.86 3iaq s ASP 77 N -0.15 6.60 -0.13 0.00 2.15 -1.26 -3.83 116.67 120.05 3iaq s ASP 77 Ca -0.02 2.81 -0.26 0.00 0.43 0.00 0.00 52.55 55.51 3iaq s ASP 77 Cb -0.02 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 3iaq s ASP 77 CO 0.00 -0.69 0.84 -0.76 -0.17 0.00 0.00 175.17 174.40 3iaq s LEU 78 N -1.60 4.22 0.55 -1.34 1.43 -1.26 -4.95 118.68 115.73 3iaq s LEU 78 Ca 0.52 1.26 0.29 0.00 -1.03 0.00 0.00 54.13 55.18 3iaq s LEU 78 Cb -0.43 -3.28 1.58 0.00 0.03 0.00 0.00 46.19 44.10 3iaq s LEU 78 CO 0.54 -0.35 2.12 -0.65 0.23 0.00 0.00 176.35 178.25 3iaq h PRO 79 N 7.16 0.00 0.00 1.29 0.11 -2.02 -1.50 132.00 137.04 3iaq h PRO 79 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3iaq h PRO 79 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3iaq h PRO 79 CO 0.82 0.09 0.00 0.93 -0.21 0.00 0.00 178.00 179.62 3iaq h GLU 80 N 0.00 0.00 -6.93 1.05 3.07 -1.98 -3.45 114.58 106.34 3iaq h GLU 80 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 3iaq h GLU 80 Cb 0.27 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.24 3iaq h GLU 80 CO 0.01 0.00 0.56 0.00 -1.40 0.00 0.00 179.01 178.18 3iaq s ALA 81 N -3.46 3.25 0.59 3.43 0.00 -0.57 -4.99 121.76 120.02 3iaq s ALA 81 Ca 0.04 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3iaq s ALA 81 Cb 0.08 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.82 3iaq s ALA 81 CO 0.56 -0.64 0.83 -0.51 0.00 0.00 0.00 175.76 176.00 3iaq s ASP 82 N -0.88 5.08 -0.21 0.00 1.01 -0.34 -4.83 116.67 116.50 3iaq s ASP 82 Ca 0.55 -0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.69 3iaq s ASP 82 Cb -0.35 -0.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 3iaq s ASP 82 CO 0.45 -1.30 0.09 -0.89 0.21 0.00 0.00 175.17 173.72 3iaq s THR 83 N -2.87 4.86 0.09 -1.27 2.01 -1.26 -1.17 115.64 116.03 3iaq s THR 83 Ca 0.59 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.60 3iaq s THR 83 Cb -0.09 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3iaq s THR 83 CO 0.40 0.41 -0.05 0.68 -0.69 0.00 0.00 174.62 175.37 3iaq s VAL 84 N 0.74 0.53 0.21 3.82 -7.23 -0.43 -4.97 120.40 113.07 3iaq s VAL 84 Ca 0.05 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3iaq s VAL 84 Cb -0.13 -1.67 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 3iaq s VAL 84 CO 0.02 -0.87 0.89 -0.69 -0.31 0.00 0.00 175.10 174.14 3iaq s VAL 85 N -3.73 4.18 -0.05 1.32 1.01 -1.26 -0.43 120.40 121.45 3iaq s VAL 85 Ca 0.12 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.10 3iaq s VAL 85 Cb 0.06 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3iaq s VAL 85 CO -0.06 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.75 3iaq s VAL 86 N -1.10 0.95 0.48 2.92 1.01 0.14 -4.06 120.40 120.74 3iaq s VAL 86 Ca 0.40 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 3iaq s VAL 86 Cb -0.25 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 3iaq s VAL 86 CO 0.30 0.30 1.17 -2.16 0.00 0.00 0.00 175.10 174.72 3iaq s PRO 87 N 0.47 3.62 -0.21 2.72 0.04 -1.26 -1.66 135.00 138.71 3iaq s PRO 87 Ca -0.09 1.78 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 3iaq s PRO 87 Cb -0.13 -2.31 0.13 0.00 0.04 0.00 0.00 34.50 32.23 3iaq s PRO 87 CO 0.02 -0.67 1.06 -1.54 0.04 0.00 0.00 177.00 175.91 3iaq s SER 88 N -1.41 -0.35 -0.19 6.66 1.04 0.16 -4.91 113.70 114.70 3iaq s SER 88 Ca 0.66 0.51 -0.24 0.00 0.48 0.00 0.00 55.95 57.36 3iaq s SER 88 Cb -0.29 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 3iaq s SER 88 CO 0.34 -0.24 0.77 0.20 0.98 0.00 0.00 173.24 175.29 3iaq s ASN 89 N -0.61 6.85 0.52 7.02 -0.87 -1.26 -3.61 114.94 122.98 3iaq s ASN 89 Ca 0.01 1.05 0.35 0.00 -1.57 0.00 0.00 52.86 52.69 3iaq s ASN 89 Cb -0.02 -2.42 1.70 0.00 -0.02 0.00 0.00 41.25 40.49 3iaq s ASN 89 CO -0.02 -0.38 2.04 4.11 -2.57 0.00 0.00 177.10 180.28 3iaq h TRP 90 N 7.44 0.00 -0.82 2.20 0.09 -1.80 -0.58 115.95 122.49 3iaq h TRP 90 Ca -0.29 0.00 0.04 0.00 0.09 0.00 0.00 58.89 58.73 3iaq h TRP 90 Cb 1.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.32 3iaq h TRP 90 CO 0.72 0.00 0.54 1.96 0.09 0.00 0.00 178.44 181.75 3iaq h GLN 91 N 0.00 0.96 0.00 0.12 7.50 -1.81 -2.56 115.11 119.33 3iaq h GLN 91 Ca 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 3iaq h GLN 91 Cb 0.21 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.52 3iaq h GLN 91 CO 0.00 0.64 0.00 -1.33 -1.50 0.00 0.00 178.83 176.64 3iaq n MET 92 N -4.45 0.15 0.03 1.46 2.81 -0.23 -1.21 117.12 115.68 3iaq n MET 92 Ca 0.11 0.32 0.11 0.00 -1.81 0.00 0.00 57.70 56.43 3iaq n MET 92 Cb 0.13 -1.75 0.04 0.00 -0.71 0.00 0.00 33.22 30.92 3iaq n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iaq n HIS 93 N -2.03 0.27 -0.64 2.03 8.25 -0.98 -4.99 115.22 117.12 3iaq n HIS 93 Ca 0.03 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3iaq n HIS 93 Cb 0.26 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 1.37 1.11 0.17 -1.41 0.00 -0.35 -5.00 105.19 101.09 3iaq n GLY 94 Ca 0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 1.01 -4.16 1.61 0.05 -1.72 -3.47 116.97 110.29 3iaq h TYR 95 Ca 0.00 -0.64 -0.15 0.00 0.05 0.00 0.00 58.73 57.98 3iaq h TYR 95 Cb 0.24 -0.08 -0.13 0.00 1.01 0.00 0.00 36.73 37.77 3iaq h TYR 95 CO 0.00 1.48 -0.42 0.16 -1.05 0.00 0.00 178.16 178.33 3iaq s ASP 96 N -7.44 0.08 0.13 3.88 1.47 -1.26 -5.05 116.67 108.48 3iaq s ASP 96 Ca -0.09 -1.13 -0.30 0.00 1.18 0.00 0.00 52.55 52.21 3iaq s ASP 96 Cb 0.05 0.44 -0.06 0.00 -0.34 0.00 0.00 42.92 43.01 3iaq s ASP 96 CO 0.94 -0.92 1.00 0.00 0.68 0.00 0.00 175.17 176.87 3iaq s ALA 97 N -4.07 3.29 0.39 2.11 0.00 -1.26 -4.31 121.76 117.91 3iaq s ALA 97 Ca 0.28 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 3iaq s ALA 97 Cb 0.04 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 3iaq s ALA 97 CO 0.07 -0.08 1.17 -1.25 0.00 0.00 0.00 175.76 175.68 3iaq s PRO 98 N -0.12 4.09 -0.20 0.00 0.04 -1.26 -5.01 135.00 132.54 3iaq s PRO 98 Ca 0.48 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 3iaq s PRO 98 Cb -0.25 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.58 3iaq s PRO 98 CO 0.31 -0.29 -0.12 0.42 0.04 0.00 0.00 177.00 177.36 3iaq s ILE 99 N -1.39 2.71 -0.41 0.56 1.01 -1.15 -4.74 121.20 117.79 3iaq s ILE 99 Ca 0.56 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 3iaq s ILE 99 Cb -0.31 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 39.98 3iaq s ILE 99 CO 0.39 0.48 0.47 -0.47 0.00 0.00 0.00 174.94 175.82 3iaq s TYR 100 N 1.38 3.16 -0.01 3.97 5.04 -1.26 0.48 117.35 130.10 3iaq s TYR 100 Ca 0.05 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.48 3iaq s TYR 100 Cb -0.14 -2.96 -0.01 0.00 0.35 0.00 0.00 41.96 39.21 3iaq s TYR 100 CO -0.08 -0.69 -0.13 -0.08 -1.34 0.00 0.00 175.55 173.23 3iaq s THR 101 N 2.27 1.00 0.00 4.34 -1.32 -1.25 -2.77 115.64 117.90 3iaq s THR 101 Ca 0.14 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 3iaq s THR 101 Cb -0.16 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 3iaq s THR 101 CO 0.14 0.29 0.10 -3.20 -2.21 0.00 0.00 174.62 169.74 3iaq n ASN 102 N 2.85 0.00 -0.05 8.08 2.85 -1.26 -3.74 115.26 123.99 3iaq n ASN 102 Ca -0.15 0.51 -0.10 0.00 -0.11 0.00 0.00 54.58 54.73 3iaq n ASN 102 Cb 0.55 -0.45 -0.04 0.00 1.24 0.00 0.00 39.78 41.08 3iaq n ASN 102 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3iaq n VAL 103 N -1.86 0.57 -1.82 3.44 0.31 -1.26 -3.85 118.33 113.85 3iaq n VAL 103 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 3iaq n VAL 103 Cb 0.00 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3iaq n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3iaq s THR 104 N -2.19 2.26 0.37 2.52 2.01 -1.26 -2.79 115.64 116.55 3iaq s THR 104 Ca -0.14 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 3iaq s THR 104 Cb 0.05 -3.13 -0.11 0.00 0.01 0.00 0.00 72.50 69.32 3iaq s THR 104 CO 0.20 0.02 1.40 -1.22 -0.69 0.00 0.00 174.62 174.33 3iaq n TYR 105 N 3.40 2.67 0.40 4.92 4.01 -1.26 -4.86 117.16 126.45 3iaq n TYR 105 Ca 0.13 0.49 0.11 0.00 -0.16 0.00 0.00 57.90 58.46 3iaq n TYR 105 Cb 0.37 -2.48 0.45 0.00 -0.31 0.00 0.00 39.34 37.37 3iaq n TYR 105 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3iaq n PRO 106 N 0.46 0.15 -4.54 -0.72 -0.04 -1.26 -4.74 135.00 124.30 3iaq n PRO 106 Ca 0.03 0.40 -0.26 0.00 -0.04 0.00 0.00 63.50 63.63 3iaq n PRO 106 Cb 0.38 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 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 -3.26 2.15 0.18 0.52 -4.36 -1.26 -5.03 121.20 110.14 3iaq s ILE 107 Ca 0.04 -2.17 -0.32 0.00 -0.26 0.00 0.00 60.65 57.94 3iaq s ILE 107 Cb 0.09 -2.67 -0.11 0.00 1.25 0.00 0.00 42.46 41.02 3iaq s ILE 107 CO 0.35 -0.18 1.66 -0.89 0.24 0.00 0.00 174.94 176.11 3iaq s THR 108 N -2.66 2.39 -0.88 8.37 2.01 -1.26 -4.90 115.64 118.70 3iaq s THR 108 Ca 0.33 0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.32 3iaq s THR 108 Cb 0.03 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 3iaq s THR 108 CO 0.16 0.02 1.73 -0.69 -0.69 0.00 0.00 174.62 175.15 3iaq s VAL 109 N 1.34 3.60 -0.41 3.82 1.01 -1.26 -4.76 120.40 123.73 3iaq s VAL 109 Ca 0.73 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.45 3iaq s VAL 109 Cb -0.46 -4.39 0.27 0.00 0.00 0.00 0.00 36.38 31.80 3iaq s VAL 109 CO 0.32 -1.31 0.68 -3.20 0.00 0.00 0.00 175.10 171.59 3iaq n ASN 110 N 11.91 -0.56 -4.77 3.32 5.15 -1.26 -5.13 115.26 123.91 3iaq n ASN 110 Ca 0.32 -2.96 -0.41 0.00 -0.60 0.00 0.00 54.58 50.93 3iaq n ASN 110 Cb 0.49 0.09 -0.01 0.00 -0.53 0.00 0.00 39.78 39.83 3iaq n ASN 110 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3iaq s PRO 111 N -0.90 4.12 0.00 1.20 0.04 -1.26 -0.44 135.00 137.75 3iaq s PRO 111 Ca 0.34 2.39 0.24 0.00 0.04 0.00 0.00 61.00 64.01 3iaq s PRO 111 Cb 0.23 -2.94 0.86 0.00 0.04 0.00 0.00 34.50 32.69 3iaq s PRO 111 CO -0.13 -0.46 1.62 -0.35 0.04 0.00 0.00 177.00 177.73 3iaq n PRO 112 N 0.44 1.72 -2.31 0.56 -0.04 -1.26 -5.11 135.00 129.01 3iaq n PRO 112 Ca 0.01 -1.07 -0.34 0.00 -0.04 0.00 0.00 63.50 62.06 3iaq n PRO 112 Cb 0.41 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.87 2.78 0.36 0.54 0.08 0.41 -4.19 117.98 116.10 3iaq s PHE 113 Ca 0.35 1.55 0.06 0.00 0.12 0.00 0.00 56.93 59.01 3iaq s PHE 113 Cb 0.19 -3.20 -0.07 0.00 -0.57 0.00 0.00 43.02 39.37 3iaq s PHE 113 CO 0.29 -1.33 0.01 0.14 -0.10 0.00 0.00 175.22 174.24 3iaq s VAL 114 N -1.91 1.70 0.52 -0.44 -7.23 -1.26 -4.52 120.40 107.25 3iaq s VAL 114 Ca 0.70 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 3iaq s VAL 114 Cb -0.21 -2.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.82 3iaq s VAL 114 CO 0.26 -0.04 1.35 -2.84 -0.31 0.00 0.00 175.10 173.52 3iaq s PRO 115 N -3.77 3.32 0.32 4.82 0.02 -1.26 -4.91 135.00 133.54 3iaq s PRO 115 Ca 0.35 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.62 3iaq s PRO 115 Cb 0.08 -2.36 0.55 0.00 0.02 0.00 0.00 34.50 32.80 3iaq s PRO 115 CO 0.16 -1.04 1.83 1.79 -0.33 0.00 0.00 177.00 179.42 3iaq h THR 116 N 1.66 1.22 -0.89 0.99 1.35 -2.00 -3.31 112.91 111.94 3iaq h THR 116 Ca -0.51 -0.93 -0.43 0.00 -0.55 0.00 0.00 66.41 64.00 3iaq h THR 116 Cb 1.29 1.07 -0.07 0.00 -1.73 0.00 0.00 68.15 68.71 3iaq h THR 116 CO 0.58 0.31 1.08 -1.61 -0.25 0.00 0.00 175.52 175.63 3iaq s GLU 117 N -4.82 3.01 -0.38 4.72 2.02 -1.26 -4.76 118.70 117.23 3iaq s GLU 117 Ca -0.07 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.29 3iaq s GLU 117 Cb 0.15 -5.20 0.11 0.00 0.10 0.00 0.00 34.13 29.29 3iaq s GLU 117 CO 0.77 -2.87 0.11 1.21 0.02 0.00 0.00 175.26 174.50 3iaq s ASN 118 N 6.68 4.60 -0.39 -0.19 2.47 -0.45 -4.97 114.94 122.70 3iaq s ASN 118 Ca 0.60 -2.35 -0.38 0.00 0.42 0.00 0.00 52.86 51.15 3iaq s ASN 118 Cb -0.04 -1.58 -0.14 0.00 -1.45 0.00 0.00 41.25 38.04 3iaq s ASN 118 CO -0.05 -0.34 2.13 -2.65 -3.72 0.00 0.00 177.10 172.47 3iaq n PRO 119 N 3.99 0.75 -4.10 0.43 -0.02 -1.19 -3.25 135.00 131.61 3iaq n PRO 119 Ca 0.04 0.21 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 3iaq n PRO 119 Cb 0.39 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 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 6.52 4.76 -0.21 3.45 2.01 0.20 -2.13 115.64 130.24 3iaq s THR 120 Ca 1.12 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.00 3iaq s THR 120 Cb -1.08 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3iaq s THR 120 CO 0.56 0.54 0.01 -0.83 -0.69 0.00 0.00 174.62 174.21 3iaq s GLY 121 N -0.29 1.73 -0.50 4.40 0.00 0.16 -0.62 107.32 112.20 3iaq s GLY 121 Ca 0.08 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 3iaq s GLY 121 CO 0.02 0.27 0.38 0.00 0.00 0.00 0.00 173.10 173.76 3iaq s TYR 123 N 1.19 3.61 0.01 0.00 1.51 -0.26 -1.62 117.35 121.78 3iaq s TYR 123 Ca 0.07 0.75 -0.08 0.00 -1.01 0.00 0.00 57.07 56.80 3iaq s TYR 123 Cb -0.25 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3iaq s TYR 123 CO -0.01 0.58 0.16 -1.54 -1.11 0.00 0.00 175.55 173.63 3iaq s SER 124 N -1.56 0.00 -0.08 2.29 1.04 -0.02 -0.34 113.70 115.04 3iaq s SER 124 Ca 0.28 -0.20 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 3iaq s SER 124 Cb -0.14 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.25 3iaq s SER 124 CO 0.16 -0.40 0.15 -0.22 0.98 0.00 0.00 173.24 173.90 3iaq s LEU 125 N -1.47 0.03 -0.24 2.42 2.96 -0.99 -0.70 118.68 120.67 3iaq s LEU 125 Ca -0.13 0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 3iaq s LEU 125 Cb -0.07 0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 3iaq s LEU 125 CO 0.01 -0.23 0.37 -0.89 -1.32 0.00 0.00 176.35 174.29 3iaq s THR 126 N 2.16 5.19 0.20 3.68 2.01 -1.26 -1.11 115.64 126.51 3iaq s THR 126 Ca 0.02 0.61 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 3iaq s THR 126 Cb -0.12 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 3iaq s THR 126 CO -0.06 0.20 0.31 0.72 -0.69 0.00 0.00 174.62 175.10 3iaq s PHE 127 N 1.75 0.57 0.09 4.92 -0.71 0.33 -4.96 117.98 119.97 3iaq s PHE 127 Ca 0.16 -0.90 -0.05 0.00 -1.04 0.00 0.00 56.93 55.10 3iaq s PHE 127 Cb -0.15 -0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.51 3iaq s PHE 127 CO 0.09 -0.79 0.34 1.21 -1.34 0.00 0.00 175.22 174.72 3iaq s ASN 128 N -3.03 6.50 -0.07 1.98 2.47 -1.26 0.23 114.94 121.76 3iaq s ASN 128 Ca 0.24 0.58 0.00 0.00 0.42 0.00 0.00 52.86 54.10 3iaq s ASN 128 Cb 0.03 -2.09 0.02 0.00 -1.45 0.00 0.00 41.25 37.76 3iaq s ASN 128 CO 0.06 0.13 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.84 3iaq s VAL 129 N -1.52 0.64 0.26 -5.21 1.01 0.16 -4.93 120.40 110.81 3iaq s VAL 129 Ca 0.36 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 3iaq s VAL 129 Cb -0.13 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 3iaq s VAL 129 CO 0.22 0.27 1.28 -1.81 0.00 0.00 0.00 175.10 175.06 3iaq s ASP 130 N 1.34 6.91 0.51 3.32 1.01 -1.26 -1.28 116.67 127.22 3iaq s ASP 130 Ca -0.04 2.48 0.18 0.00 0.71 0.00 0.00 52.55 55.88 3iaq s ASP 130 Cb -0.14 -2.63 1.25 0.00 1.01 0.00 0.00 42.92 42.42 3iaq s ASP 130 CO -0.03 -0.47 2.08 -0.08 0.21 0.00 0.00 175.17 176.88 3iaq h GLU 131 N 4.46 0.08 -0.61 8.23 4.57 -1.95 -1.70 114.58 127.66 3iaq h GLU 131 Ca -0.46 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.83 3iaq h GLU 131 Cb 1.22 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 3iaq h GLU 131 CO 0.72 0.05 0.42 0.66 -1.18 0.00 0.00 179.01 179.68 3iaq h SER 132 N 0.09 0.28 0.68 1.04 4.64 -1.97 0.62 113.55 118.92 3iaq h SER 132 Ca 0.12 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 3iaq h SER 132 Cb 0.36 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3iaq h SER 132 CO -0.01 0.16 -0.81 -0.50 -0.87 0.00 0.00 176.83 174.80 3iaq h TRP 133 N 0.30 0.13 0.00 4.77 4.06 -1.59 -3.29 115.95 120.33 3iaq h TRP 133 Ca 0.29 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.17 3iaq h TRP 133 Cb 0.72 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 3iaq h TRP 133 CO -0.00 0.86 -1.32 1.28 -3.56 0.00 0.00 178.44 175.70 3iaq n LEU 134 N -3.64 0.59 -0.12 -4.49 4.77 -0.61 -4.28 117.00 109.21 3iaq n LEU 134 Ca -0.02 -0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 55.68 3iaq n LEU 134 Cb 0.77 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.86 3iaq n LEU 134 CO 0.46 0.12 0.93 -0.61 -1.33 0.00 0.00 177.39 176.96 3iaq h GLN 135 N 0.00 0.27 -3.65 3.23 4.15 0.14 -3.45 115.11 115.80 3iaq h GLN 135 Ca 0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3iaq h GLN 135 Cb 0.71 -0.06 -0.13 0.00 0.21 0.00 0.00 27.48 28.21 3iaq h GLN 135 CO 0.00 0.18 -0.22 -1.83 -1.93 0.00 0.00 178.83 175.03 3iaq s GLU 136 N -6.15 1.08 0.20 1.69 1.03 -1.26 -5.11 118.70 110.18 3iaq s GLU 136 Ca -0.13 -0.95 0.00 0.00 0.03 0.00 0.00 54.97 53.92 3iaq s GLU 136 Cb 0.13 0.41 0.00 0.00 -0.80 0.00 0.00 34.13 33.87 3iaq s GLU 136 CO 0.71 -0.40 0.00 0.41 -1.33 0.00 0.00 175.26 174.65 3iaq n GLY 137 N -0.19 -1.50 2.82 -3.83 0.00 -1.26 -4.74 105.19 96.50 3iaq n GLY 137 Ca -0.12 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.76 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 0.84 -0.36 1.61 0.74 0.31 -4.74 119.66 118.07 3iaq s GLN 138 Ca 0.00 -0.01 -0.10 0.00 0.05 0.00 0.00 55.36 55.30 3iaq s GLN 138 Cb 0.00 -1.07 0.03 0.00 1.10 0.00 0.00 33.01 33.07 3iaq s GLN 138 CO 0.00 -0.25 0.17 0.99 -0.55 0.00 0.00 175.29 175.65 3iaq s THR 139 N 1.69 4.37 0.04 -0.34 2.01 -1.26 -0.35 115.64 121.79 3iaq s THR 139 Ca 0.01 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3iaq s THR 139 Cb -0.13 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3iaq s THR 139 CO -0.05 -0.17 -0.14 0.00 -0.69 0.00 0.00 174.62 173.57 3iaq s ARG 140 N 1.52 2.21 -0.09 4.92 1.70 -0.67 -0.03 118.95 128.52 3iaq s ARG 140 Ca 0.01 -0.91 -0.14 0.00 -0.47 0.00 0.00 55.73 54.23 3iaq s ARG 140 Cb -0.19 -2.29 -0.05 0.00 -0.57 0.00 0.00 34.95 31.85 3iaq s ARG 140 CO 0.05 0.55 0.33 -1.50 -1.08 0.00 0.00 175.30 173.66 3iaq s ILE 141 N -0.97 5.21 -0.22 4.99 2.07 0.05 -1.74 121.20 130.58 3iaq s ILE 141 Ca 0.16 0.65 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 3iaq s ILE 141 Cb -0.11 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.87 3iaq s ILE 141 CO 0.07 0.49 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.84 3iaq s ILE 142 N -0.37 2.41 -0.49 2.00 1.01 0.10 -1.66 121.20 124.20 3iaq s ILE 142 Ca 0.20 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 3iaq s ILE 142 Cb -0.15 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.26 3iaq s ILE 142 CO 0.08 0.29 0.40 -0.36 0.00 0.00 0.00 174.94 175.35 3iaq s PHE 143 N 1.27 3.34 0.46 3.97 0.40 -0.03 -1.30 117.98 126.09 3iaq s PHE 143 Ca 0.00 -1.58 0.16 0.00 -0.60 0.00 0.00 56.93 54.91 3iaq s PHE 143 Cb -0.16 -3.56 1.12 0.00 0.51 0.00 0.00 43.02 40.93 3iaq s PHE 143 CO -0.08 -0.98 2.03 -0.44 0.70 0.00 0.00 175.22 176.45 3iaq h ASP 144 N 8.63 0.00 -0.97 1.36 3.32 -1.10 -0.12 116.42 127.54 3iaq h ASP 144 Ca -0.25 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.89 3iaq h ASP 144 Cb 1.09 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 3iaq h ASP 144 CO 0.92 0.14 -0.26 -0.83 -1.72 0.00 0.00 179.24 177.50 3iaq s GLY 145 N -4.17 -0.98 -0.14 2.75 0.00 -1.26 -3.25 107.32 100.26 3iaq s GLY 145 Ca -0.04 1.85 0.01 0.00 0.00 0.00 0.00 44.72 46.55 3iaq s GLY 145 CO 0.68 3.42 -0.17 0.14 0.00 0.00 0.00 173.10 177.16 3iaq s VAL 146 N 2.86 1.73 -0.28 1.40 1.01 -1.24 -1.99 120.40 123.88 3iaq s VAL 146 Ca 0.19 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3iaq s VAL 146 Cb -0.15 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3iaq s VAL 146 CO -0.21 0.49 0.04 0.21 0.00 0.00 0.00 175.10 175.63 3iaq s ASN 147 N 1.20 4.91 -0.00 3.32 3.84 -0.85 -3.98 114.94 123.38 3iaq s ASN 147 Ca -0.00 -0.77 0.05 0.00 0.21 0.00 0.00 52.86 52.35 3iaq s ASN 147 Cb -0.14 -1.82 -0.06 0.00 -0.55 0.00 0.00 41.25 38.69 3iaq s ASN 147 CO -0.07 -0.18 0.21 -1.54 -2.79 0.00 0.00 177.10 172.73 3iaq n SER 148 N 4.81 0.42 -3.50 -4.21 3.41 -0.79 -0.15 113.62 113.60 3iaq n SER 148 Ca -0.15 -0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 57.73 3iaq n SER 148 Cb 0.48 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.39 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 -1.51 -1.75 -0.03 7.33 0.00 -1.13 -4.03 121.76 120.63 3iaq s ALA 149 Ca 0.02 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 3iaq s ALA 149 Cb 0.04 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3iaq s ALA 149 CO 0.20 -0.49 0.38 -0.59 0.00 0.00 0.00 175.76 175.26 3iaq s PHE 150 N -2.02 -0.29 -0.07 0.00 -0.71 -1.09 -0.21 117.98 113.60 3iaq s PHE 150 Ca -0.05 0.49 -0.02 0.00 -1.04 0.00 0.00 56.93 56.31 3iaq s PHE 150 Cb -0.00 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 3iaq s PHE 150 CO 0.01 -0.41 0.03 -1.01 -1.34 0.00 0.00 175.22 172.50 3iaq s HIS 151 N -1.15 3.22 -0.12 3.49 3.76 -0.75 -2.23 115.29 121.50 3iaq s HIS 151 Ca -0.12 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.04 3iaq s HIS 151 Cb -0.04 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3iaq s HIS 151 CO 0.05 0.51 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.07 3iaq s LEU 152 N -1.09 2.21 0.01 0.89 2.96 0.54 -1.72 118.68 122.49 3iaq s LEU 152 Ca 0.15 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 3iaq s LEU 152 Cb -0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3iaq s LEU 152 CO 0.05 0.13 -0.20 0.26 -1.32 0.00 0.00 176.35 175.26 3iaq s TRP 153 N 0.53 2.50 -0.10 5.38 0.51 0.10 0.21 118.94 128.07 3iaq s TRP 153 Ca -0.13 -0.30 0.01 0.00 -2.12 0.00 0.00 56.10 53.56 3iaq s TRP 153 Cb -0.17 -1.49 0.02 0.00 -0.81 0.00 0.00 33.47 31.02 3iaq s TRP 153 CO 0.05 0.16 -0.13 0.00 -0.51 0.00 0.00 176.95 176.52 3iaq n ASN 155 N 4.35 -4.89 0.00 0.00 3.02 -0.38 -2.05 115.26 115.31 3iaq n ASN 155 Ca -0.18 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3iaq n ASN 155 Cb 0.51 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 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 -1.58 2.55 3.75 7.41 0.00 -1.24 -4.99 105.19 111.08 3iaq n GLY 156 Ca 0.01 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 4.75 0.11 1.61 0.52 -0.87 -4.91 118.95 120.16 3iaq s ARG 157 Ca 0.00 1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 56.50 3iaq s ARG 157 Cb 0.00 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.14 3iaq s ARG 157 CO 0.00 0.35 1.01 -0.46 0.02 0.00 0.00 175.30 176.23 3iaq s TRP 158 N -0.94 3.72 -0.17 -0.53 -0.00 -1.26 -0.39 118.94 119.37 3iaq s TRP 158 Ca 0.43 1.71 -0.16 0.00 -0.00 0.00 0.00 56.10 58.09 3iaq s TRP 158 Cb -0.28 -3.14 -0.06 0.00 -0.00 0.00 0.00 33.47 29.99 3iaq s TRP 158 CO 0.34 -0.10 -0.32 0.28 -0.00 0.00 0.00 176.95 177.15 3iaq n VAL 159 N 2.91 1.47 -3.75 5.86 0.31 0.13 -4.89 118.33 120.37 3iaq n VAL 159 Ca 0.03 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3iaq n VAL 159 Cb 0.49 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 1.60 0.54 3.04 2.92 0.00 -1.12 -4.69 105.19 107.48 3iaq n GLY 160 Ca -0.19 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.30 0.02 -0.01 1.61 6.14 -0.40 -0.34 117.35 122.07 3iaq s TYR 161 Ca 0.00 -0.04 -0.08 0.00 0.64 0.00 0.00 57.07 57.59 3iaq s TYR 161 Cb 0.00 -0.04 0.01 0.00 0.42 0.00 0.00 41.96 42.35 3iaq s TYR 161 CO 0.00 -0.18 0.16 0.20 0.64 0.00 0.00 175.55 176.36 3iaq s GLY 162 N -0.85 0.01 0.33 8.97 0.00 -0.95 -0.52 107.32 114.31 3iaq s GLY 162 Ca -0.09 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3iaq s GLY 162 CO 0.01 -0.14 0.14 1.20 0.00 0.00 0.00 173.10 174.30 3iaq s GLN 163 N -1.17 1.69 0.00 2.90 -0.21 -0.37 -2.67 119.66 119.82 3iaq s GLN 163 Ca -0.13 -1.98 -0.00 0.00 0.02 0.00 0.00 55.36 53.28 3iaq s GLN 163 Cb -0.07 -0.35 0.00 0.00 1.00 0.00 0.00 33.01 33.60 3iaq s GLN 163 CO 0.02 -0.42 0.00 -3.47 -2.12 0.00 0.00 175.29 169.30 3iaq n ASP 164 N -0.98 -3.07 0.01 5.90 -0.08 -1.26 -4.93 116.55 112.14 3iaq n ASP 164 Ca -0.01 0.29 0.10 0.00 -1.51 0.00 0.00 54.79 53.65 3iaq n ASP 164 Cb 0.65 -1.67 0.43 0.00 2.34 0.00 0.00 41.12 42.87 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 0.29 0.08 -0.02 1.67 7.64 -1.26 -3.88 113.62 118.13 3iaq n SER 165 Ca -0.01 0.51 0.03 0.00 1.01 0.00 0.00 58.87 60.42 3iaq n SER 165 Cb 0.01 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.58 2.43 -4.20 1.43 5.12 -1.26 -3.71 116.66 114.88 3iaq n ARG 166 Ca 0.05 -1.78 -0.16 0.00 -1.93 0.00 0.00 57.85 54.03 3iaq n ARG 166 Cb 0.24 -1.13 -0.11 0.00 -1.16 0.00 0.00 32.46 30.31 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 -1.50 2.41 0.27 0.55 1.43 -1.25 -4.36 118.68 116.22 3iaq s LEU 167 Ca 0.09 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 3iaq s LEU 167 Cb 0.08 -0.39 -0.10 0.00 0.03 0.00 0.00 46.19 45.82 3iaq s LEU 167 CO 0.01 -0.22 1.26 -2.16 0.23 0.00 0.00 176.35 175.46 3iaq s PRO 168 N -2.75 4.43 -0.18 1.29 0.04 -1.20 -4.48 135.00 132.15 3iaq s PRO 168 Ca 0.07 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 3iaq s PRO 168 Cb -0.04 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3iaq s PRO 168 CO 0.01 -0.12 0.03 -1.12 0.04 0.00 0.00 177.00 175.84 3iaq s SER 169 N -0.26 5.22 -0.07 6.66 0.01 -0.06 -4.95 113.70 120.26 3iaq s SER 169 Ca 0.51 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.76 3iaq s SER 169 Cb -0.37 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3iaq s SER 169 CO 0.45 0.14 -0.19 -1.61 0.41 0.00 0.00 173.24 172.43 3iaq s GLU 170 N 0.58 2.26 -0.05 12.44 2.02 -1.26 -0.85 118.70 133.85 3iaq s GLU 170 Ca 0.01 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.34 3iaq s GLU 170 Cb -0.14 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.29 3iaq s GLU 170 CO 0.02 0.17 -0.07 -0.06 0.02 0.00 0.00 175.26 175.34 3iaq s PHE 171 N 0.31 0.92 -0.08 1.61 0.40 -0.67 0.29 117.98 120.76 3iaq s PHE 171 Ca -0.12 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 3iaq s PHE 171 Cb -0.15 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 3iaq s PHE 171 CO 0.05 -0.19 1.45 0.34 0.70 0.00 0.00 175.22 177.57 3iaq s ASP 172 N 0.74 6.81 0.00 1.36 -1.08 -1.26 -0.77 116.67 122.47 3iaq s ASP 172 Ca -0.11 2.01 0.11 0.00 -0.52 0.00 0.00 52.55 54.04 3iaq s ASP 172 Cb -0.14 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.05 3iaq s ASP 172 CO 0.01 -0.81 1.18 0.18 0.52 0.00 0.00 175.17 176.24 3iaq n LEU 173 N 6.51 2.75 -0.25 -1.34 4.77 0.95 -4.74 117.00 125.66 3iaq n LEU 173 Ca 0.15 -1.77 0.05 0.00 -0.03 0.00 0.00 56.01 54.41 3iaq n LEU 173 Cb 0.44 -0.19 0.18 0.00 -2.33 0.00 0.00 43.42 41.51 3iaq n LEU 173 CO 0.59 0.66 0.97 0.28 -1.33 0.00 0.00 177.39 178.56 3iaq h SER 174 N 2.18 0.14 0.36 -1.43 0.02 -1.87 0.80 113.55 113.75 3iaq h SER 174 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3iaq h SER 174 Cb 0.69 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3iaq h SER 174 CO 0.00 0.03 -0.15 0.00 -1.14 0.00 0.00 176.83 175.57 3iaq n ALA 175 N -2.58 2.84 0.83 3.77 0.00 -1.26 -3.87 120.51 120.24 3iaq n ALA 175 Ca 0.14 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.38 3iaq n ALA 175 Cb 0.42 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.92 0.00 -4.15 0.00 3.01 0.23 -4.99 117.46 110.63 3iaq n PHE 176 Ca 0.13 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.29 3iaq n PHE 176 Cb 0.30 -0.05 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 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 -3.11 3.50 0.21 4.37 1.43 -0.92 -4.60 118.68 119.56 3iaq s LEU 177 Ca 0.06 -0.13 0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3iaq s LEU 177 Cb 0.15 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3iaq s LEU 177 CO 0.82 0.19 -0.19 0.00 0.23 0.00 0.00 176.35 177.41 3iaq s ARG 178 N -2.18 1.72 0.24 1.70 1.70 -1.26 -5.02 118.95 115.85 3iaq s ARG 178 Ca 0.25 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 53.72 3iaq s ARG 178 Cb -0.12 -1.93 -0.10 0.00 -0.57 0.00 0.00 34.95 32.23 3iaq s ARG 178 CO 0.17 0.40 1.46 0.00 -1.08 0.00 0.00 175.30 176.25 3iaq s ALA 179 N -1.84 3.65 0.00 7.88 0.00 -1.26 -4.64 121.76 125.56 3iaq s ALA 179 Ca 0.24 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3iaq s ALA 179 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3iaq s ALA 179 CO 0.12 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3iaq n GLY 180 N 2.44 1.01 3.69 0.00 0.00 -0.40 -4.95 105.19 106.98 3iaq n GLY 180 Ca 0.08 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 4.42 0.15 1.61 0.41 -1.26 -0.66 118.70 123.36 3iaq s GLU 181 Ca 0.00 1.31 0.07 0.00 -0.41 0.00 0.00 54.97 55.94 3iaq s GLU 181 Cb 0.00 -3.53 -0.04 0.00 -1.78 0.00 0.00 34.13 28.78 3iaq s GLU 181 CO 0.00 -0.26 -0.16 -0.80 -0.49 0.00 0.00 175.26 173.55 3iaq s ASN 182 N 1.08 2.32 -0.08 -0.19 0.01 0.14 -4.89 114.94 113.32 3iaq s ASN 182 Ca 0.47 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 3iaq s ASN 182 Cb -0.18 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.39 3iaq s ASN 182 CO 0.18 -0.11 -0.07 -0.60 -1.51 0.00 0.00 177.10 175.00 3iaq s ARG 183 N -2.83 1.27 0.07 -0.60 3.52 -1.26 -0.52 118.95 118.61 3iaq s ARG 183 Ca 0.13 -0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 55.40 3iaq s ARG 183 Cb -0.05 -1.29 -0.06 0.00 -1.56 0.00 0.00 34.95 31.99 3iaq s ARG 183 CO 0.05 -0.17 0.45 -0.51 -0.81 0.00 0.00 175.30 174.31 3iaq s LEU 184 N 1.35 4.40 -0.16 -0.88 1.43 -0.27 -1.25 118.68 123.29 3iaq s LEU 184 Ca -0.03 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 3iaq s LEU 184 Cb -0.14 -2.92 0.03 0.00 0.03 0.00 0.00 46.19 43.20 3iaq s LEU 184 CO -0.03 0.21 -0.10 0.00 0.23 0.00 0.00 176.35 176.66 3iaq s ALA 185 N -1.29 1.74 -0.23 4.21 0.00 -0.36 -2.36 121.76 123.46 3iaq s ALA 185 Ca 0.31 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3iaq s ALA 185 Cb -0.15 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.90 3iaq s ALA 185 CO 0.17 -0.62 -0.10 0.08 0.00 0.00 0.00 175.76 175.29 3iaq s VAL 186 N 1.53 1.90 -0.48 0.00 1.01 0.54 -0.72 120.40 124.18 3iaq s VAL 186 Ca 0.02 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.50 3iaq s VAL 186 Cb -0.14 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3iaq s VAL 186 CO -0.09 0.06 0.50 -0.32 0.00 0.00 0.00 175.10 175.25 3iaq s MET 187 N 1.25 3.06 -0.26 2.72 1.75 -0.70 -1.10 119.30 126.02 3iaq s MET 187 Ca -0.05 -1.06 -0.13 0.00 -1.25 0.00 0.00 55.69 53.20 3iaq s MET 187 Cb -0.18 -4.09 -0.04 0.00 2.84 0.00 0.00 34.83 33.35 3iaq s MET 187 CO -0.07 -1.09 0.26 0.08 -0.65 0.00 0.00 175.02 173.55 3iaq s VAL 188 N 2.15 5.27 -0.24 10.11 1.01 0.10 -1.81 120.40 136.99 3iaq s VAL 188 Ca 0.10 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 3iaq s VAL 188 Cb -0.21 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3iaq s VAL 188 CO 0.10 0.25 0.14 -0.76 0.00 0.00 0.00 175.10 174.83 3iaq s LEU 189 N 1.62 4.01 0.13 3.92 1.43 0.70 0.38 118.68 130.88 3iaq s LEU 189 Ca 0.11 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 3iaq s LEU 189 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3iaq s LEU 189 CO 0.09 0.06 1.72 -0.09 0.23 0.00 0.00 176.35 178.35 3iaq h ARG 190 N 7.57 0.48 -5.99 1.70 2.43 -1.68 -2.07 114.38 116.82 3iaq h ARG 190 Ca -0.38 -0.06 -0.68 0.00 -0.81 0.00 0.00 59.98 58.05 3iaq h ARG 190 Cb 1.17 -0.09 -0.21 0.00 -0.42 0.00 0.00 29.97 30.43 3iaq h ARG 190 CO 0.64 0.42 -0.71 -1.58 -1.51 0.00 0.00 179.97 177.23 3iaq s TRP 191 N -5.79 2.91 0.34 2.20 0.52 -1.26 -3.99 118.94 113.87 3iaq s TRP 191 Ca -0.13 -0.10 -0.09 0.00 0.02 0.00 0.00 56.10 55.80 3iaq s TRP 191 Cb 0.09 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 3iaq s TRP 191 CO 0.73 0.22 0.59 -1.54 0.02 0.00 0.00 176.95 176.96 3iaq s SER 192 N -0.55 0.45 0.62 2.95 1.04 -1.26 -4.95 113.70 112.00 3iaq s SER 192 Ca 0.08 -1.27 0.36 0.00 0.48 0.00 0.00 55.95 55.60 3iaq s SER 192 Cb -0.12 0.72 2.06 0.00 0.10 0.00 0.00 66.02 68.78 3iaq s SER 192 CO 0.02 -1.41 2.29 -2.24 0.98 0.00 0.00 173.24 172.88 3iaq h ASP 193 N 2.09 0.00 -0.05 7.02 3.04 -0.25 -0.44 116.42 127.82 3iaq h ASP 193 Ca -0.29 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.47 3iaq h ASP 193 Cb 1.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 3iaq h ASP 193 CO 0.38 0.01 -0.03 1.23 -2.04 0.00 0.00 179.24 178.79 3iaq h GLY 194 N 0.14 0.24 1.99 7.15 0.00 -1.91 -2.98 103.07 107.68 3iaq h GLY 194 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3iaq h GLY 194 CO 0.00 0.12 0.01 1.76 0.00 0.00 0.00 176.54 178.42 3iaq h SER 195 N 0.22 0.00 1.03 0.19 0.02 -1.43 0.51 113.55 114.09 3iaq h SER 195 Ca 0.05 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3iaq h SER 195 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3iaq h SER 195 CO 0.01 0.00 -0.38 1.88 -1.14 0.00 0.00 176.83 177.20 3iaq h TYR 196 N 0.00 0.00 -0.42 3.45 0.05 -1.69 -2.96 116.97 115.40 3iaq h TYR 196 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3iaq h TYR 196 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 3iaq h TYR 196 CO 0.00 0.38 0.00 1.28 -1.05 0.00 0.00 178.16 178.77 3iaq n LEU 197 N -3.42 3.43 -2.48 3.88 4.77 0.15 -4.18 117.00 119.15 3iaq n LEU 197 Ca 0.00 -1.51 -0.22 0.00 -0.03 0.00 0.00 56.01 54.26 3iaq n LEU 197 Cb 0.55 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3iaq n LEU 197 CO 0.37 0.75 0.11 -0.62 -1.33 0.00 0.00 177.39 176.68 3iaq n GLU 198 N 1.46 2.87 -1.01 3.23 1.02 -1.09 0.68 120.64 127.80 3iaq n GLU 198 Ca 0.20 -4.15 -0.22 0.00 -0.02 0.00 0.00 57.16 52.97 3iaq n GLU 198 Cb 0.60 -2.00 0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.42 6.30 -4.77 1.62 2.03 0.50 -4.95 116.55 116.86 3iaq n ASP 199 Ca 0.32 -3.29 -0.41 0.00 0.52 0.00 0.00 54.79 51.93 3iaq n ASP 199 Cb 0.74 -0.97 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.50 4.23 -0.81 -0.67 1.11 -1.26 -4.55 119.66 115.21 3iaq s GLN 200 Ca 0.42 2.39 -0.25 0.00 0.01 0.00 0.00 55.36 57.94 3iaq s GLN 200 Cb 0.34 -3.02 -0.03 0.00 -1.01 0.00 0.00 33.01 29.29 3iaq s GLN 200 CO 0.01 -0.36 1.85 0.34 0.01 0.00 0.00 175.29 177.13 3iaq s ASP 201 N -0.30 5.34 0.11 5.90 2.15 -1.25 -4.81 116.67 123.82 3iaq s ASP 201 Ca 0.51 -0.41 -0.25 0.00 0.43 0.00 0.00 52.55 52.83 3iaq s ASP 201 Cb -0.43 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 39.72 3iaq s ASP 201 CO 0.58 -2.49 1.10 0.00 -0.17 0.00 0.00 175.17 174.19 3iaq s MET 202 N 6.79 0.99 0.24 4.34 0.23 -1.25 -5.00 119.30 125.64 3iaq s MET 202 Ca 0.66 -0.61 -0.31 0.00 -1.03 0.00 0.00 55.69 54.39 3iaq s MET 202 Cb -0.08 0.30 -0.12 0.00 -1.53 0.00 0.00 34.83 33.40 3iaq s MET 202 CO 0.06 -0.46 1.67 -1.58 -2.03 0.00 0.00 175.02 172.68 3iaq s TRP 203 N -2.43 2.85 -0.55 3.16 0.52 -1.26 -3.93 118.94 117.31 3iaq s TRP 203 Ca 0.20 0.51 -0.20 0.00 0.02 0.00 0.00 56.10 56.63 3iaq s TRP 203 Cb -0.01 -4.11 0.07 0.00 -1.15 0.00 0.00 33.47 28.27 3iaq s TRP 203 CO 0.02 -4.03 0.73 1.03 0.02 0.00 0.00 176.95 174.72 3iaq s ARG 204 N 0.57 3.14 0.05 4.98 1.81 0.18 -4.93 118.95 124.74 3iaq s ARG 204 Ca 0.70 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 3iaq s ARG 204 Cb -0.49 -4.14 0.00 0.00 -0.45 0.00 0.00 34.95 29.87 3iaq s ARG 204 CO 0.38 -1.39 0.01 -1.33 -0.68 0.00 0.00 175.30 172.28 3iaq n MET 205 N 6.56 1.80 -3.77 3.54 2.81 -1.26 -2.96 117.12 123.85 3iaq n MET 205 Ca -0.06 -0.36 -0.03 0.00 -1.81 0.00 0.00 57.70 55.44 3iaq n MET 205 Cb 0.45 0.09 -0.01 0.00 -0.71 0.00 0.00 33.22 33.04 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 -1.28 -0.16 0.00 7.83 1.04 -1.26 -4.83 113.70 115.04 3iaq s SER 206 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3iaq s SER 206 Cb -0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3iaq s SER 206 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3iaq n GLY 207 N -0.49 -3.30 3.55 7.32 0.00 0.79 -2.11 105.19 110.95 3iaq n GLY 207 Ca -0.06 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.94 3.70 -1.49 -0.61 1.01 -1.24 -2.00 121.20 119.62 3iaq s ILE 208 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 60.65 60.80 3iaq s ILE 208 Cb 0.00 -4.75 0.08 0.00 0.01 0.00 0.00 42.46 37.80 3iaq s ILE 208 CO 0.00 -1.68 0.86 2.22 0.00 0.00 0.00 174.94 176.35 3iaq n PHE 209 N 10.07 0.00 -4.59 3.97 -1.74 -0.84 0.37 117.46 124.70 3iaq n PHE 209 Ca 0.16 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.77 3iaq n PHE 209 Cb 0.50 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.42 3iaq n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3iaq s ARG 210 N -1.16 2.00 0.43 3.97 0.52 -1.03 -4.35 118.95 119.32 3iaq s ARG 210 Ca 0.14 -2.23 -0.26 0.00 -0.52 0.00 0.00 55.73 52.86 3iaq s ARG 210 Cb 0.10 -0.97 -0.09 0.00 0.52 0.00 0.00 34.95 34.52 3iaq s ARG 210 CO 0.19 -0.40 1.41 -0.51 0.02 0.00 0.00 175.30 176.01 3iaq s ASP 211 N -3.69 6.05 -0.10 0.23 1.01 -1.26 -4.47 116.67 114.43 3iaq s ASP 211 Ca 0.19 2.89 -0.00 0.00 0.71 0.00 0.00 52.55 56.34 3iaq s ASP 211 Cb 0.03 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3iaq s ASP 211 CO 0.11 -1.05 -0.09 -0.69 0.21 0.00 0.00 175.17 173.66 3iaq s VAL 212 N -1.20 3.51 0.15 -1.27 1.01 -1.26 -0.59 120.40 120.75 3iaq s VAL 212 Ca 0.59 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 3iaq s VAL 212 Cb -0.43 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 3iaq s VAL 212 CO 0.56 0.55 0.29 -0.94 0.00 0.00 0.00 175.10 175.56 3iaq s SER 213 N -0.20 0.01 -0.15 3.32 1.04 -0.42 -0.80 113.70 116.50 3iaq s SER 213 Ca 0.02 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 3iaq s SER 213 Cb -0.13 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 3iaq s SER 213 CO 0.03 -0.87 -0.11 -0.76 0.98 0.00 0.00 173.24 172.50 3iaq s LEU 214 N -2.93 2.77 -0.14 2.42 1.43 0.57 -0.72 118.68 122.08 3iaq s LEU 214 Ca 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3iaq s LEU 214 Cb 0.03 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3iaq s LEU 214 CO -0.03 0.13 -0.15 -0.22 0.23 0.00 0.00 176.35 176.31 3iaq s LEU 215 N 0.54 2.56 -0.21 1.79 2.96 -0.71 -0.66 118.68 124.95 3iaq s LEU 215 Ca -0.07 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 3iaq s LEU 215 Cb -0.15 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 3iaq s LEU 215 CO 0.04 0.13 0.17 -2.28 -1.32 0.00 0.00 176.35 173.08 3iaq s HIS 216 N 0.56 3.38 0.04 5.38 5.65 -0.28 -1.66 115.29 128.36 3iaq s HIS 216 Ca -0.09 0.33 0.07 0.00 0.25 0.00 0.00 55.06 55.62 3iaq s HIS 216 Cb -0.16 -2.23 -0.02 0.00 -1.18 0.00 0.00 32.58 28.99 3iaq s HIS 216 CO 0.04 0.20 -0.19 0.15 -0.65 0.00 0.00 174.74 174.29 3iaq s LYS 217 N 0.65 1.25 0.66 2.88 -0.14 0.52 -4.74 119.74 120.82 3iaq s LYS 217 Ca 0.09 -0.88 -0.15 0.00 -1.36 0.00 0.00 55.97 53.67 3iaq s LYS 217 Cb -0.12 -1.33 0.00 0.00 -1.68 0.00 0.00 37.83 34.70 3iaq s LYS 217 CO 0.01 0.34 1.11 -2.14 -0.76 0.00 0.00 175.35 173.91 3iaq s PRO 218 N -1.15 2.78 0.14 -1.68 0.02 -1.26 0.12 135.00 133.97 3iaq s PRO 218 Ca 0.06 1.40 -0.19 0.00 0.02 0.00 0.00 61.00 62.29 3iaq s PRO 218 Cb -0.08 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 3iaq s PRO 218 CO 0.02 -1.26 1.73 1.15 -0.33 0.00 0.00 177.00 178.30 3iaq h THR 219 N 0.02 0.86 -3.46 0.99 2.02 -1.93 -3.32 112.91 108.09 3iaq h THR 219 Ca -0.47 -0.04 -0.60 0.00 0.77 0.00 0.00 66.41 66.07 3iaq h THR 219 Cb 1.25 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 68.30 3iaq h THR 219 CO 0.54 0.02 0.49 -0.89 0.37 0.00 0.00 175.52 176.06 3iaq s THR 220 N -6.18 4.69 0.04 3.16 2.01 -1.26 -3.79 115.64 114.31 3iaq s THR 220 Ca -0.13 1.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.97 3iaq s THR 220 Cb 0.11 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 3iaq s THR 220 CO 0.69 -0.40 0.14 0.00 -0.69 0.00 0.00 174.62 174.37 3iaq s GLN 221 N 3.20 0.63 -0.19 4.92 -2.07 -0.64 -4.92 119.66 120.60 3iaq s GLN 221 Ca 0.35 -0.68 -0.29 0.00 -1.82 0.00 0.00 55.36 52.92 3iaq s GLN 221 Cb -0.13 0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 32.03 3iaq s GLN 221 CO 0.15 -0.17 1.41 0.42 -1.32 0.00 0.00 175.29 175.78 3iaq s ILE 222 N -2.53 4.01 -0.12 3.63 1.01 -1.26 -1.13 121.20 124.81 3iaq s ILE 222 Ca -0.05 1.19 0.19 0.00 0.00 0.00 0.00 60.65 61.98 3iaq s ILE 222 Cb -0.01 -3.89 -0.28 0.00 0.01 0.00 0.00 42.46 38.28 3iaq s ILE 222 CO -0.04 -0.24 0.24 -1.54 0.00 0.00 0.00 174.94 173.36 3iaq n SER 223 N 7.33 0.13 -3.55 3.58 3.41 -0.16 -4.91 113.62 119.46 3iaq n SER 223 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.63 3iaq n SER 223 Cb 0.45 1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 65.76 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 -5.01 -0.48 -0.15 4.04 2.15 -1.16 -4.88 116.67 111.18 3iaq s ASP 224 Ca -0.09 0.50 -0.19 0.00 0.43 0.00 0.00 52.55 53.20 3iaq s ASP 224 Cb 0.09 0.40 0.05 0.00 -0.30 0.00 0.00 42.92 43.16 3iaq s ASP 224 CO 0.84 -0.46 0.50 0.72 -0.17 0.00 0.00 175.17 176.60 3iaq s PHE 225 N -1.26 -0.52 -0.09 -5.34 -0.71 -1.26 -0.59 117.98 108.21 3iaq s PHE 225 Ca -0.05 1.20 0.03 0.00 -1.04 0.00 0.00 56.93 57.07 3iaq s PHE 225 Cb -0.00 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 42.02 3iaq s PHE 225 CO 0.04 -0.32 -0.17 -1.01 -1.34 0.00 0.00 175.22 172.42 3iaq s HIS 226 N -0.10 1.95 -0.21 3.49 3.76 -0.39 -4.79 115.29 118.99 3iaq s HIS 226 Ca -0.03 -0.82 -0.07 0.00 -0.15 0.00 0.00 55.06 53.99 3iaq s HIS 226 Cb -0.03 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.24 3iaq s HIS 226 CO 0.02 -0.39 0.06 0.08 -0.85 0.00 0.00 174.74 173.66 3iaq s VAL 227 N 0.69 4.50 0.07 -0.90 1.01 -1.26 -1.66 120.40 122.84 3iaq s VAL 227 Ca -0.13 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 61.83 3iaq s VAL 227 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3iaq s VAL 227 CO 0.03 0.40 -0.27 0.00 0.00 0.00 0.00 175.10 175.27 3iaq s ALA 228 N 0.98 2.29 -0.09 5.51 0.00 0.14 -4.85 121.76 125.74 3iaq s ALA 228 Ca 0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 3iaq s ALA 228 Cb -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.56 3iaq s ALA 228 CO 0.03 0.54 -0.03 0.95 0.00 0.00 0.00 175.76 177.25 3iaq s THR 229 N -0.88 0.64 0.19 0.00 -4.23 -1.26 0.11 115.64 110.21 3iaq s THR 229 Ca 0.12 -0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.66 3iaq s THR 229 Cb -0.10 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 3iaq s THR 229 CO 0.03 0.28 -0.22 0.00 -0.54 0.00 0.00 174.62 174.17 3iaq s ARG 230 N 1.86 1.46 0.14 3.99 1.70 -1.00 -4.85 118.95 122.24 3iaq s ARG 230 Ca 0.05 -1.51 0.05 0.00 -0.47 0.00 0.00 55.73 53.84 3iaq s ARG 230 Cb -0.13 -1.67 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 3iaq s ARG 230 CO -0.07 0.35 -0.11 -0.06 -1.08 0.00 0.00 175.30 174.33 3iaq s PHE 231 N -1.89 1.29 0.99 5.89 0.40 -1.26 -0.72 117.98 122.68 3iaq s PHE 231 Ca 0.20 -0.68 -0.16 0.00 -0.60 0.00 0.00 56.93 55.69 3iaq s PHE 231 Cb -0.07 -0.66 0.21 0.00 0.51 0.00 0.00 43.02 43.00 3iaq s PHE 231 CO 0.09 0.10 1.28 0.54 0.70 0.00 0.00 175.22 177.93 3iaq s ASN 232 N -2.90 2.85 0.56 1.36 4.22 -0.90 -4.94 114.94 115.20 3iaq s ASN 232 Ca 0.13 0.37 0.26 0.00 -2.14 0.00 0.00 52.86 51.48 3iaq s ASN 232 Cb -0.00 -0.48 1.52 0.00 1.28 0.00 0.00 41.25 43.57 3iaq s ASN 232 CO 0.01 -2.90 2.07 -2.24 -2.04 0.00 0.00 177.10 172.00 3iaq h ASP 233 N -1.76 0.00 -0.03 3.54 3.04 -2.02 -2.65 116.42 116.55 3iaq h ASP 233 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 3iaq h ASP 233 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 3iaq h ASP 233 CO 0.39 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.69 3iaq n ASP 234 N -4.07 1.55 -0.50 4.15 5.75 -1.26 -5.00 116.55 117.17 3iaq n ASP 234 Ca 0.04 -1.32 -0.06 0.00 -0.01 0.00 0.00 54.79 53.43 3iaq n ASP 234 Cb 0.39 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.22 0.00 0.90 2.11 3.01 -1.00 -4.89 117.46 117.81 3iaq n PHE 235 Ca 0.03 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.62 3iaq n PHE 235 Cb 0.15 -1.43 0.32 0.00 -0.01 0.00 0.00 39.48 38.51 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 0.89 0.44 -3.93 4.37 3.41 -1.26 -4.48 113.62 113.07 3iaq n SER 236 Ca -0.06 0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 3iaq n SER 236 Cb 0.22 0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.05 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 -3.04 0.35 0.07 4.33 0.52 -1.26 -0.03 118.95 119.89 3iaq s ARG 237 Ca 0.11 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3iaq s ARG 237 Cb 0.17 -0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 3iaq s ARG 237 CO 0.66 0.06 -0.06 0.00 0.02 0.00 0.00 175.30 175.98 3iaq s ALA 238 N 0.05 0.70 -0.23 2.13 0.00 -0.60 -2.11 121.76 121.70 3iaq s ALA 238 Ca -0.00 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3iaq s ALA 238 Cb -0.03 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.29 3iaq s ALA 238 CO -0.00 -0.19 -0.09 0.08 0.00 0.00 0.00 175.76 175.56 3iaq s VAL 239 N -2.84 1.77 -0.24 0.00 1.01 0.10 -1.41 120.40 118.78 3iaq s VAL 239 Ca 0.02 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 3iaq s VAL 239 Cb 0.00 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3iaq s VAL 239 CO -0.04 -0.00 1.09 -0.22 0.00 0.00 0.00 175.10 175.92 3iaq s LEU 240 N 1.30 4.07 -0.16 3.92 0.20 -0.69 -2.37 118.68 124.95 3iaq s LEU 240 Ca -0.06 1.34 -0.01 0.00 0.69 0.00 0.00 54.13 56.09 3iaq s LEU 240 Cb -0.19 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.02 3iaq s LEU 240 CO -0.06 -0.74 -0.10 -0.70 -0.29 0.00 0.00 176.35 174.45 3iaq s GLU 241 N 3.37 3.38 -0.25 1.98 2.12 0.12 -0.66 118.70 128.76 3iaq s GLU 241 Ca 0.46 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.13 3iaq s GLU 241 Cb -0.15 -2.75 0.07 0.00 0.26 0.00 0.00 34.13 31.56 3iaq s GLU 241 CO 0.10 0.09 -0.01 0.00 -0.54 0.00 0.00 175.26 174.90 3iaq s ALA 242 N 0.69 1.89 -0.07 6.30 0.00 0.38 0.29 121.76 131.23 3iaq s ALA 242 Ca -0.05 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.19 3iaq s ALA 242 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3iaq s ALA 242 CO 0.02 -1.33 0.75 -2.00 0.00 0.00 0.00 175.76 173.20 3iaq s GLU 243 N 1.43 4.44 -0.06 0.00 2.12 -0.67 -1.17 118.70 124.79 3iaq s GLU 243 Ca -0.01 0.95 0.04 0.00 0.36 0.00 0.00 54.97 56.31 3iaq s GLU 243 Cb -0.18 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.75 3iaq s GLU 243 CO -0.10 0.01 -0.17 0.08 -0.54 0.00 0.00 175.26 174.54 3iaq s VAL 244 N 0.97 1.44 0.05 3.70 1.01 0.90 -1.26 120.40 127.21 3iaq s VAL 244 Ca 0.39 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3iaq s VAL 244 Cb -0.18 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3iaq s VAL 244 CO 0.19 0.42 -0.22 -1.10 0.00 0.00 0.00 175.10 174.39 3iaq s GLN 245 N 0.29 1.92 0.21 2.72 -0.21 0.25 -1.53 119.66 123.31 3iaq s GLN 245 Ca -0.10 -1.06 0.09 0.00 0.02 0.00 0.00 55.36 54.31 3iaq s GLN 245 Cb -0.14 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 3iaq s GLN 245 CO 0.04 0.52 -0.16 0.00 -2.12 0.00 0.00 175.29 173.57 3iaq s MET 246 N -1.43 1.38 0.34 2.91 0.23 -0.80 -0.98 119.30 120.95 3iaq s MET 246 Ca 0.14 -1.59 0.08 0.00 -1.03 0.00 0.00 55.69 53.28 3iaq s MET 246 Cb -0.10 -1.28 -0.07 0.00 -1.53 0.00 0.00 34.83 31.86 3iaq s MET 246 CO 0.04 0.23 -0.05 0.00 -2.03 0.00 0.00 175.02 173.21 3iaq n GLY 248 N -0.75 -2.93 3.67 0.00 0.00 -1.25 -1.62 105.19 102.32 3iaq n GLY 248 Ca -0.05 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3iaq n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iaq s GLU 249 N -0.55 4.25 0.40 1.61 2.12 -1.26 -4.98 118.70 120.29 3iaq s GLU 249 Ca 0.00 1.92 -0.26 0.00 0.36 0.00 0.00 54.97 56.98 3iaq s GLU 249 Cb 0.00 -3.74 -0.09 0.00 0.26 0.00 0.00 34.13 30.56 3iaq s GLU 249 CO 0.00 -0.68 1.35 -0.51 -0.54 0.00 0.00 175.26 174.89 3iaq s LEU 250 N 3.14 4.24 -0.05 2.70 1.43 -1.26 -4.98 118.68 123.89 3iaq s LEU 250 Ca 0.63 2.76 -0.09 0.00 -1.03 0.00 0.00 54.13 56.40 3iaq s LEU 250 Cb -0.29 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.11 3iaq s LEU 250 CO 0.23 -0.88 0.22 -0.13 0.23 0.00 0.00 176.35 176.03 3iaq s ARG 251 N -2.20 0.40 0.50 1.70 1.81 -1.26 -5.04 118.95 114.86 3iaq s ARG 251 Ca 0.56 0.04 0.25 0.00 -1.72 0.00 0.00 55.73 54.86 3iaq s ARG 251 Cb -0.41 0.18 1.35 0.00 -0.45 0.00 0.00 34.95 35.63 3iaq s ARG 251 CO 0.53 -0.08 2.05 -0.44 -0.68 0.00 0.00 175.30 176.67 3iaq h ASP 252 N 5.03 0.00 0.74 0.23 3.32 -2.00 -2.44 116.42 121.30 3iaq h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 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 0.38 0.14 -0.09 0.00 -1.72 0.00 0.00 179.24 177.95 3iaq n TYR 253 N -3.74 0.00 -2.25 4.55 0.18 -1.26 -4.89 117.16 109.75 3iaq n TYR 253 Ca -0.02 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.39 3iaq n TYR 253 Cb 0.25 -0.37 -0.01 0.00 -0.38 0.00 0.00 39.34 38.83 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 -2.83 4.00 0.04 -3.48 1.43 -0.92 -0.13 118.68 116.78 3iaq s LEU 254 Ca 0.19 2.31 -0.06 0.00 -1.03 0.00 0.00 54.13 55.54 3iaq s LEU 254 Cb 0.19 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 3iaq s LEU 254 CO 0.53 -0.94 0.10 -0.13 0.23 0.00 0.00 176.35 176.15 3iaq s ARG 255 N -2.72 0.59 -0.10 1.70 1.81 0.62 -4.27 118.95 116.58 3iaq s ARG 255 Ca 0.64 -0.72 0.01 0.00 -1.72 0.00 0.00 55.73 53.94 3iaq s ARG 255 Cb -0.29 0.23 0.02 0.00 -0.45 0.00 0.00 34.95 34.46 3iaq s ARG 255 CO 0.35 -0.15 -0.13 0.08 -0.68 0.00 0.00 175.30 174.77 3iaq s VAL 256 N -2.52 1.33 -0.21 3.52 1.01 -0.78 -1.36 120.40 121.39 3iaq s VAL 256 Ca -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3iaq s VAL 256 Cb -0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3iaq s VAL 256 CO -0.04 0.41 -0.05 -0.89 0.00 0.00 0.00 175.10 174.52 3iaq s THR 257 N 1.05 3.34 -0.22 3.92 2.01 -0.22 -2.00 115.64 123.51 3iaq s THR 257 Ca -0.06 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3iaq s THR 257 Cb -0.15 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 3iaq s THR 257 CO -0.02 0.44 0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 3iaq s VAL 258 N 1.34 3.99 0.06 3.82 1.01 -0.18 -0.57 120.40 129.88 3iaq s VAL 258 Ca 0.04 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3iaq s VAL 258 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3iaq s VAL 258 CO -0.03 0.39 -0.19 -0.94 0.00 0.00 0.00 175.10 174.34 3iaq s SER 259 N 1.34 2.26 -0.11 3.32 1.04 -0.44 -1.14 113.70 119.97 3iaq s SER 259 Ca 0.04 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3iaq s SER 259 Cb -0.15 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 3iaq s SER 259 CO 0.01 0.08 -0.18 -0.22 0.98 0.00 0.00 173.24 173.92 3iaq s LEU 260 N -1.46 2.46 0.06 2.42 2.96 0.12 -1.08 118.68 124.17 3iaq s LEU 260 Ca 0.05 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3iaq s LEU 260 Cb -0.09 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3iaq s LEU 260 CO 0.03 0.18 -0.21 0.26 -1.32 0.00 0.00 176.35 175.29 3iaq s TRP 261 N 0.22 1.84 -0.49 5.38 0.52 0.06 -0.77 118.94 125.71 3iaq s TRP 261 Ca -0.11 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.65 3iaq s TRP 261 Cb -0.16 -1.07 0.14 0.00 -1.15 0.00 0.00 33.47 31.23 3iaq s TRP 261 CO 0.06 0.13 0.29 -1.14 0.02 0.00 0.00 176.95 176.32 3iaq s GLN 262 N -1.42 1.50 6.97 4.98 0.74 0.11 -1.00 119.66 131.54 3iaq s GLN 262 Ca 0.08 -2.30 0.00 0.00 0.05 0.00 0.00 55.36 53.19 3iaq s GLN 262 Cb -0.09 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.52 3iaq s GLN 262 CO 0.03 -1.20 0.00 0.41 -0.55 0.00 0.00 175.29 173.97 3iaq n GLY 263 N 3.16 1.99 0.17 2.59 0.00 -1.26 -3.07 105.19 108.77 3iaq n GLY 263 Ca 0.13 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.80 3iaq n GLY 263 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iaq h GLU 264 N 0.00 0.00 -6.52 1.61 4.39 -2.02 -3.45 114.58 108.58 3iaq h GLU 264 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3iaq h GLU 264 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3iaq h GLU 264 CO 0.00 0.39 0.41 0.99 -1.16 0.00 0.00 179.01 179.64 3iaq s THR 265 N -3.21 4.47 -0.53 1.13 2.01 -1.17 -5.02 115.64 113.31 3iaq s THR 265 Ca 0.03 1.92 -0.23 0.00 0.31 0.00 0.00 61.69 63.72 3iaq s THR 265 Cb 0.08 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.41 3iaq s THR 265 CO 0.71 0.23 0.87 -1.58 -0.69 0.00 0.00 174.62 174.16 3iaq s GLN 266 N 0.41 3.30 0.18 4.92 0.74 -1.26 -0.71 119.66 127.23 3iaq s GLN 266 Ca 0.50 -0.37 0.10 0.00 0.05 0.00 0.00 55.36 55.65 3iaq s GLN 266 Cb -0.24 -4.05 -0.10 0.00 1.10 0.00 0.00 33.01 29.72 3iaq s GLN 266 CO 0.30 -1.40 1.33 -0.39 -0.55 0.00 0.00 175.29 174.58 3iaq h VAL 267 N 5.99 1.34 -2.54 1.34 -1.51 -1.29 -3.48 116.25 116.10 3iaq h VAL 267 Ca -0.26 -2.91 0.07 0.00 -1.23 0.00 0.00 66.70 62.37 3iaq h VAL 267 Cb 1.08 2.66 -0.14 0.00 -2.13 0.00 0.00 31.29 32.76 3iaq h VAL 267 CO 1.05 0.76 0.39 0.00 -1.23 0.00 0.00 177.57 178.55 3iaq s ALA 268 N -2.81 -1.73 -0.21 5.19 0.00 -1.10 -4.98 121.76 116.12 3iaq s ALA 268 Ca 0.02 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 3iaq s ALA 268 Cb 0.09 0.59 0.06 0.00 0.00 0.00 0.00 23.12 23.86 3iaq s ALA 268 CO 0.79 -0.73 0.63 0.45 0.00 0.00 0.00 175.76 176.90 3iaq s SER 269 N -2.60 -0.65 -0.13 0.00 0.15 -1.26 0.11 113.70 109.32 3iaq s SER 269 Ca 0.04 1.19 -0.10 0.00 0.70 0.00 0.00 55.95 57.79 3iaq s SER 269 Cb -0.01 1.20 0.04 0.00 -1.71 0.00 0.00 66.02 65.54 3iaq s SER 269 CO -0.10 -0.27 0.33 -0.83 1.20 0.00 0.00 173.24 173.57 3iaq s GLY 270 N 0.14 -0.24 0.00 9.45 0.00 -0.29 -4.99 107.32 111.39 3iaq s GLY 270 Ca -0.01 1.07 0.07 0.00 0.00 0.00 0.00 44.72 45.84 3iaq s GLY 270 CO 0.02 1.08 -0.21 -1.59 0.00 0.00 0.00 173.10 172.40 3iaq s THR 271 N 0.67 1.64 -0.05 0.90 2.01 -1.26 -1.01 115.64 118.55 3iaq s THR 271 Ca -0.04 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 3iaq s THR 271 Cb -0.05 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.13 3iaq s THR 271 CO -0.04 0.37 0.58 0.00 -0.69 0.00 0.00 174.62 174.84 3iaq s ALA 272 N -0.59 -1.50 0.93 7.40 0.00 -0.85 -5.01 121.76 122.14 3iaq s ALA 272 Ca 0.08 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 3iaq s ALA 272 Cb -0.08 -0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.20 3iaq s ALA 272 CO 0.00 -0.34 1.28 -1.25 0.00 0.00 0.00 175.76 175.45 3iaq s PRO 273 N -1.18 0.93 0.77 0.00 0.04 -1.26 -1.87 135.00 132.43 3iaq s PRO 273 Ca -0.11 -0.26 -0.11 0.00 0.04 0.00 0.00 61.00 60.56 3iaq s PRO 273 Cb -0.02 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.71 3iaq s PRO 273 CO 0.08 -2.24 1.08 -0.06 0.04 0.00 0.00 177.00 175.91 3iaq s PHE 274 N -3.78 2.86 0.00 0.56 0.08 -1.26 -4.86 117.98 111.58 3iaq s PHE 274 Ca 0.71 1.27 0.00 0.00 0.12 0.00 0.00 56.93 59.02 3iaq s PHE 274 Cb -0.06 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3iaq s PHE 274 CO 0.52 -1.65 0.00 0.41 -0.10 0.00 0.00 175.22 174.40 3iaq n GLY 275 N -1.94 1.91 3.92 4.36 0.00 0.56 -4.99 105.19 109.01 3iaq n GLY 275 Ca 0.07 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 1.66 0.97 -0.02 0.00 0.99 -4.77 107.32 106.14 3iaq s GLY 276 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 3iaq s GLY 276 CO 0.00 -0.35 1.10 -1.83 0.00 0.00 0.00 173.10 172.02 3iaq s GLU 277 N -5.52 0.62 -0.08 2.90 -1.05 -1.26 -4.54 118.70 109.77 3iaq s GLU 277 Ca 0.64 1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 56.33 3iaq s GLU 277 Cb -0.10 -1.71 -0.06 0.00 -0.44 0.00 0.00 34.13 31.83 3iaq s GLU 277 CO 0.48 -2.78 1.74 0.42 0.95 0.00 0.00 175.26 176.08 3iaq s ILE 278 N -2.68 3.46 -0.20 1.83 1.01 -1.26 -4.28 121.20 119.08 3iaq s ILE 278 Ca 0.66 0.55 -0.19 0.00 0.00 0.00 0.00 60.65 61.66 3iaq s ILE 278 Cb -0.22 -3.39 -0.19 0.00 0.01 0.00 0.00 42.46 38.67 3iaq s ILE 278 CO 0.59 -0.09 0.19 -0.38 0.00 0.00 0.00 174.94 175.25 3iaq n ILE 279 N 5.82 1.56 -3.38 2.92 2.08 0.80 -4.90 119.36 124.26 3iaq n ILE 279 Ca 0.19 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.37 3iaq n ILE 279 Cb 0.43 -1.99 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 -4.30 0.00 0.28 4.38 5.68 -0.58 -5.01 116.55 116.99 3iaq n ASP 280 Ca -0.34 -0.96 0.17 0.00 -0.50 0.00 0.00 54.79 53.16 3iaq n ASP 280 Cb 0.74 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.53 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 -0.66 0.11 3.07 -2.05 0.68 114.58 115.73 3iaq h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iaq h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3iaq h GLU 281 CO 0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 3iaq n ARG 282 N -3.12 2.78 0.00 2.33 5.12 -1.26 -5.06 116.66 117.45 3iaq n ARG 282 Ca 0.00 -2.45 0.00 0.00 -1.93 0.00 0.00 57.85 53.47 3iaq n ARG 282 Cb 0.42 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.44 1.07 0.19 -0.13 0.00 0.23 -5.03 105.19 102.95 3iaq n GLY 283 Ca 0.23 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 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 3.95 3.57 -0.02 0.00 -1.26 -0.14 105.19 111.28 3iaq n GLY 284 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.14 2.39 0.40 1.61 2.02 -1.26 -4.86 117.35 115.51 3iaq s TYR 285 Ca 0.02 0.33 0.13 0.00 -0.37 0.00 0.00 57.07 57.18 3iaq s TYR 285 Cb 0.00 -4.49 0.83 0.00 -0.40 0.00 0.00 41.96 37.90 3iaq s TYR 285 CO 0.02 -1.86 1.89 0.00 -1.57 0.00 0.00 175.55 174.03 3iaq h ALA 286 N 10.33 1.51 -0.32 3.71 0.00 -1.93 0.29 119.26 132.85 3iaq h ALA 286 Ca -0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3iaq h ALA 286 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iaq h ALA 286 CO 1.21 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 180.43 3iaq n ASP 287 N -4.19 1.70 -4.41 0.00 5.75 -1.26 -2.48 116.55 111.66 3iaq n ASP 287 Ca -0.02 -2.01 -0.20 0.00 -0.01 0.00 0.00 54.79 52.55 3iaq n ASP 287 Cb 0.34 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.58 1.52 -0.15 0.11 0.52 -1.13 -1.90 118.95 116.35 3iaq s ARG 288 Ca 0.21 -1.78 -0.25 0.00 -0.52 0.00 0.00 55.73 53.38 3iaq s ARG 288 Cb 0.11 -0.98 0.06 0.00 0.52 0.00 0.00 34.95 34.67 3iaq s ARG 288 CO 0.14 -0.04 0.63 0.54 0.02 0.00 0.00 175.30 176.60 3iaq s VAL 289 N -3.16 0.01 -0.16 3.52 0.11 -0.58 -0.32 120.40 119.81 3iaq s VAL 289 Ca 0.30 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 3iaq s VAL 289 Cb 0.05 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3iaq s VAL 289 CO 0.12 -0.02 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.82 3iaq s THR 290 N -0.43 1.69 -0.11 5.04 2.01 -1.26 -0.07 115.64 122.51 3iaq s THR 290 Ca -0.06 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 3iaq s THR 290 Cb -0.03 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 3iaq s THR 290 CO 0.05 0.45 0.21 -0.76 -0.69 0.00 0.00 174.62 173.88 3iaq s LEU 291 N 1.43 4.36 -0.08 4.42 2.01 -0.31 -4.93 118.68 125.58 3iaq s LEU 291 Ca 0.04 0.53 0.04 0.00 0.01 0.00 0.00 54.13 54.76 3iaq s LEU 291 Cb -0.13 -2.21 -0.01 0.00 0.01 0.00 0.00 46.19 43.85 3iaq s LEU 291 CO -0.11 0.32 -0.20 -0.13 1.01 0.00 0.00 176.35 177.24 3iaq s ARG 292 N -0.64 2.77 -0.06 1.70 0.52 -1.26 -0.47 118.95 121.51 3iaq s ARG 292 Ca 0.16 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3iaq s ARG 292 Cb -0.13 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.04 3iaq s ARG 292 CO 0.05 0.37 -0.11 -0.51 0.02 0.00 0.00 175.30 175.12 3iaq s LEU 293 N -0.11 1.57 -0.03 2.53 1.43 0.17 -4.93 118.68 119.32 3iaq s LEU 293 Ca -0.04 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 3iaq s LEU 293 Cb -0.14 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3iaq s LEU 293 CO 0.04 0.01 0.85 0.20 0.23 0.00 0.00 176.35 177.68 3iaq s ASN 294 N 0.73 7.20 -0.20 2.29 -0.87 -1.26 -1.70 114.94 121.13 3iaq s ASN 294 Ca -0.14 1.45 0.01 0.00 -1.57 0.00 0.00 52.86 52.61 3iaq s ASN 294 Cb -0.15 -2.50 0.04 0.00 -0.02 0.00 0.00 41.25 38.62 3iaq s ASN 294 CO 0.03 -0.18 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.58 3iaq s VAL 295 N 0.86 1.65 0.01 1.60 1.01 -0.50 -4.86 120.40 120.17 3iaq s VAL 295 Ca 0.45 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 3iaq s VAL 295 Cb -0.20 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3iaq s VAL 295 CO 0.23 0.15 0.69 -1.61 0.00 0.00 0.00 175.10 174.56 3iaq s GLU 296 N 1.39 4.42 -1.04 2.72 0.41 -1.26 -1.56 118.70 123.77 3iaq s GLU 296 Ca -0.02 0.90 -0.18 0.00 -0.41 0.00 0.00 54.97 55.27 3iaq s GLU 296 Cb -0.16 -3.37 0.01 0.00 -1.78 0.00 0.00 34.13 28.83 3iaq s GLU 296 CO -0.08 0.29 0.70 0.09 -0.49 0.00 0.00 175.26 175.77 3iaq n ASN 297 N 2.90 -5.01 -4.76 -0.19 3.02 0.96 -4.90 115.26 107.27 3iaq n ASN 297 Ca -0.04 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.08 3iaq n ASN 297 Cb 0.51 -2.48 -0.02 0.00 -0.61 0.00 0.00 39.78 37.18 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 -5.93 4.30 -0.23 3.52 0.04 -1.26 -4.95 135.00 130.50 3iaq s PRO 298 Ca 0.31 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.34 3iaq s PRO 298 Cb -0.14 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 3iaq s PRO 298 CO 0.90 -0.29 1.46 0.15 0.04 0.00 0.00 177.00 179.26 3iaq s LYS 299 N -1.46 3.93 0.17 4.56 1.02 -1.26 -4.98 119.74 121.72 3iaq s LYS 299 Ca 0.52 1.57 -0.22 0.00 0.02 0.00 0.00 55.97 57.85 3iaq s LYS 299 Cb -0.41 -3.94 -0.08 0.00 -0.52 0.00 0.00 37.83 32.88 3iaq s LYS 299 CO 0.52 -1.12 0.72 -0.51 -0.92 0.00 0.00 175.35 174.05 3iaq s LEU 300 N 4.59 4.49 0.06 3.17 1.43 -1.26 -4.47 118.68 126.68 3iaq s LEU 300 Ca 0.64 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 55.01 3iaq s LEU 300 Cb -0.22 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 3iaq s LEU 300 CO 0.25 0.15 0.71 0.86 0.23 0.00 0.00 176.35 178.55 3iaq s TRP 301 N -1.28 3.76 0.24 0.29 -0.00 0.41 -4.13 118.94 118.24 3iaq s TRP 301 Ca 0.37 1.42 -0.16 0.00 -0.00 0.00 0.00 56.10 57.73 3iaq s TRP 301 Cb -0.20 -2.73 0.01 0.00 -0.00 0.00 0.00 33.47 30.55 3iaq s TRP 301 CO 0.23 0.37 0.55 -1.54 -0.00 0.00 0.00 176.95 176.56 3iaq s SER 302 N -0.41 -0.17 0.44 5.86 1.04 -0.39 -4.64 113.70 115.44 3iaq s SER 302 Ca 0.35 -0.75 0.13 0.00 0.48 0.00 0.00 55.95 56.16 3iaq s SER 302 Cb -0.20 0.62 0.99 0.00 0.10 0.00 0.00 66.02 67.52 3iaq s SER 302 CO 0.22 -1.17 2.01 0.00 0.98 0.00 0.00 173.24 175.27 3iaq h ALA 303 N 2.18 1.71 -0.05 5.32 0.00 -1.91 -2.26 119.26 124.26 3iaq h ALA 303 Ca -0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3iaq h ALA 303 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iaq h ALA 303 CO 0.33 0.22 -0.00 0.93 0.00 0.00 0.00 179.25 180.72 3iaq h GLU 304 N 0.10 0.09 -3.24 0.00 5.08 -1.93 -3.42 114.58 111.26 3iaq h GLU 304 Ca 0.02 -0.03 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 3iaq h GLU 304 Cb 0.24 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.08 3iaq h GLU 304 CO 0.01 0.39 -0.77 0.42 -1.00 0.00 0.00 179.01 178.07 3iaq s ILE 305 N -4.89 0.49 -0.45 3.13 1.01 -1.13 -4.97 121.20 114.39 3iaq s ILE 305 Ca -0.15 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.29 3iaq s ILE 305 Cb 0.04 -1.39 -0.19 0.00 0.01 0.00 0.00 42.46 40.93 3iaq s ILE 305 CO 0.69 -0.70 3.09 -0.81 0.00 0.00 0.00 174.94 177.21 3iaq n PRO 306 N 5.00 2.23 -1.68 2.79 -0.04 -0.86 -1.26 135.00 141.18 3iaq n PRO 306 Ca -0.03 -1.23 -0.54 0.00 -0.04 0.00 0.00 63.50 61.66 3iaq n PRO 306 Cb 0.42 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 3iaq n PRO 306 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iaq n ASN 307 N 2.93 2.47 -4.05 3.54 3.02 -1.26 -4.86 115.26 117.06 3iaq n ASN 307 Ca 0.48 1.07 -0.22 0.00 -0.03 0.00 0.00 54.58 55.87 3iaq n ASN 307 Cb 0.62 -1.22 -0.16 0.00 -0.61 0.00 0.00 39.78 38.42 3iaq n ASN 307 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iaq s LEU 308 N 2.76 1.83 0.43 3.41 1.43 -1.26 -4.10 118.68 123.18 3iaq s LEU 308 Ca 0.93 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 3iaq s LEU 308 Cb -0.95 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3iaq s LEU 308 CO 0.57 0.09 0.51 -0.31 0.23 0.00 0.00 176.35 177.44 3iaq s TYR 309 N 0.15 2.65 -0.10 0.29 1.51 0.15 -4.70 117.35 117.29 3iaq s TYR 309 Ca -0.03 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 3iaq s TYR 309 Cb -0.10 -2.28 0.02 0.00 -0.11 0.00 0.00 41.96 39.50 3iaq s TYR 309 CO 0.01 -0.36 -0.09 0.50 -1.11 0.00 0.00 175.55 174.50 3iaq s ARG 310 N -4.29 1.63 -0.22 -0.62 6.06 -0.17 0.02 118.95 121.37 3iaq s ARG 310 Ca 0.52 -0.32 -0.10 0.00 -2.50 0.00 0.00 55.73 53.33 3iaq s ARG 310 Cb -0.07 -1.58 -0.05 0.00 0.06 0.00 0.00 34.95 33.32 3iaq s ARG 310 CO 0.31 -0.18 0.14 0.00 -2.50 0.00 0.00 175.30 173.06 3iaq s ALA 311 N 1.40 3.62 -0.12 6.12 0.00 -0.67 -0.76 121.76 131.35 3iaq s ALA 311 Ca -0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3iaq s ALA 311 Cb -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3iaq s ALA 311 CO -0.05 0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.74 3iaq s VAL 312 N 0.67 3.73 -0.30 0.00 1.01 -0.24 -2.24 120.40 123.03 3iaq s VAL 312 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3iaq s VAL 312 Cb -0.12 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.75 3iaq s VAL 312 CO 0.01 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 3iaq s VAL 313 N -0.14 2.58 -0.25 2.92 1.01 0.87 -1.32 120.40 126.06 3iaq s VAL 313 Ca 0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.18 3iaq s VAL 313 Cb -0.13 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3iaq s VAL 313 CO 0.03 -0.23 0.11 -1.61 0.00 0.00 0.00 175.10 173.40 3iaq s GLU 314 N 1.12 3.81 -0.22 2.72 2.02 0.27 -1.23 118.70 127.19 3iaq s GLU 314 Ca -0.02 -0.40 -0.16 0.00 0.02 0.00 0.00 54.97 54.41 3iaq s GLU 314 Cb -0.20 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 3iaq s GLU 314 CO -0.04 -0.12 0.42 -1.17 0.02 0.00 0.00 175.26 174.37 3iaq s LEU 315 N 1.49 4.12 0.35 1.80 2.96 0.14 -1.05 118.68 128.49 3iaq s LEU 315 Ca 0.06 0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 54.39 3iaq s LEU 315 Cb -0.15 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.02 3iaq s LEU 315 CO 0.06 -0.13 0.56 -1.38 -1.32 0.00 0.00 176.35 174.14 3iaq s HIS 316 N 1.58 0.76 0.35 5.38 -3.43 -0.46 -0.71 115.29 118.77 3iaq s HIS 316 Ca 0.19 -1.12 0.05 0.00 -0.80 0.00 0.00 55.06 53.38 3iaq s HIS 316 Cb -0.15 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 31.18 3iaq s HIS 316 CO 0.09 -1.25 0.51 0.95 -2.00 0.00 0.00 174.74 173.04 3iaq s THR 317 N -2.91 4.16 0.29 -5.38 -4.23 0.20 -0.28 115.64 107.49 3iaq s THR 317 Ca 0.26 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3iaq s THR 317 Cb -0.02 -3.46 0.28 0.00 1.34 0.00 0.00 72.50 70.64 3iaq s THR 317 CO 0.17 -0.22 1.89 0.00 -0.54 0.00 0.00 174.62 175.93 3iaq h ALA 318 N 0.79 1.47 0.00 3.99 0.00 -0.86 -1.09 119.26 123.57 3iaq h ALA 318 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3iaq h ALA 318 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3iaq h ALA 318 CO 0.54 0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.77 3iaq n ASP 319 N -4.50 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 111.60 3iaq n ASP 319 Ca 0.15 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 3iaq n ASP 319 Cb 0.20 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3iaq n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iaq n GLY 320 N 0.28 2.15 3.66 6.12 0.00 -0.41 -5.07 105.19 111.93 3iaq n GLY 320 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.30 3.11 0.19 2.61 2.01 -1.25 -4.71 115.64 115.30 3iaq s THR 321 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3iaq s THR 321 Cb 0.00 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 3iaq s THR 321 CO 0.00 -0.01 1.16 -0.22 -0.69 0.00 0.00 174.62 174.86 3iaq s LEU 322 N 4.38 4.47 -0.16 4.42 2.96 -1.26 -0.63 118.68 132.86 3iaq s LEU 322 Ca 0.86 2.20 -0.13 0.00 -0.22 0.00 0.00 54.13 56.84 3iaq s LEU 322 Cb -0.41 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.63 3iaq s LEU 322 CO 0.40 -0.31 -0.25 -0.38 -1.32 0.00 0.00 176.35 174.48 3iaq n ILE 323 N 2.35 1.45 -3.71 6.68 5.41 0.12 -4.93 119.36 126.73 3iaq n ILE 323 Ca 0.03 0.18 -0.09 0.00 1.00 0.00 0.00 62.75 63.87 3iaq n ILE 323 Cb 0.45 -2.37 -0.03 0.00 -0.71 0.00 0.00 39.64 36.98 3iaq n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3iaq s GLU 324 N -2.53 1.49 -0.01 0.38 -1.05 -0.85 -4.80 118.70 111.32 3iaq s GLU 324 Ca -0.21 -0.82 0.02 0.00 -0.15 0.00 0.00 54.97 53.81 3iaq s GLU 324 Cb 0.03 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.28 3iaq s GLU 324 CO 0.31 -0.65 -0.08 0.00 0.95 0.00 0.00 175.26 175.79 3iaq s ALA 325 N -3.86 0.66 0.35 -0.84 0.00 0.36 -0.69 121.76 117.73 3iaq s ALA 325 Ca 0.08 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3iaq s ALA 325 Cb -0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 3iaq s ALA 325 CO -0.02 0.15 -0.04 -1.21 0.00 0.00 0.00 175.76 174.65 3iaq s GLU 326 N -0.15 1.80 0.19 0.00 0.41 -0.36 -1.77 118.70 118.82 3iaq s GLU 326 Ca 0.02 -1.96 -0.17 0.00 -0.41 0.00 0.00 54.97 52.45 3iaq s GLU 326 Cb -0.03 -1.50 0.03 0.00 -1.78 0.00 0.00 34.13 30.85 3iaq s GLU 326 CO -0.00 0.03 0.52 0.00 -0.49 0.00 0.00 175.26 175.31 3iaq s ALA 327 N -2.79 -0.91 0.17 5.21 0.00 -1.26 -0.09 121.76 122.09 3iaq s ALA 327 Ca 0.33 -0.24 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 3iaq s ALA 327 Cb 0.06 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.08 3iaq s ALA 327 CO 0.16 -0.80 0.56 0.00 0.00 0.00 0.00 175.76 175.68 3iaq s ASP 329 N -2.80 7.23 -0.22 0.00 1.01 -1.26 -1.68 116.67 118.94 3iaq s ASP 329 Ca 0.04 1.49 -0.05 0.00 0.71 0.00 0.00 52.55 54.74 3iaq s ASP 329 Cb -0.01 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 3iaq s ASP 329 CO -0.09 -0.24 -0.01 -0.69 0.21 0.00 0.00 175.17 174.35 3iaq s VAL 330 N 1.10 3.67 -0.30 -1.27 1.01 0.10 -4.64 120.40 120.08 3iaq s VAL 330 Ca 0.47 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3iaq s VAL 330 Cb -0.20 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.52 3iaq s VAL 330 CO 0.23 0.40 0.06 -0.83 0.00 0.00 0.00 175.10 174.97 3iaq s GLY 331 N 1.45 1.78 -0.65 4.51 0.00 -1.26 0.30 107.32 113.44 3iaq s GLY 331 Ca 0.05 -1.53 -0.27 0.00 0.00 0.00 0.00 44.72 42.98 3iaq s GLY 331 CO -0.01 0.66 1.61 -1.36 0.00 0.00 0.00 173.10 174.00 3iaq s PHE 332 N 1.44 1.94 0.05 1.90 0.40 -1.26 -4.77 117.98 117.68 3iaq s PHE 332 Ca 0.01 0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 56.60 3iaq s PHE 332 Cb -0.18 -4.32 0.04 0.00 0.51 0.00 0.00 43.02 39.08 3iaq s PHE 332 CO 0.01 -2.21 0.44 -0.98 0.70 0.00 0.00 175.22 173.18 3iaq s ARG 333 N 6.42 0.95 -0.09 0.44 3.03 -1.26 -0.44 118.95 128.00 3iaq s ARG 333 Ca 0.54 -0.35 0.03 0.00 2.03 0.00 0.00 55.73 57.99 3iaq s ARG 333 Cb -0.11 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.24 3iaq s ARG 333 CO 0.19 -0.33 -0.20 -2.00 -1.13 0.00 0.00 175.30 171.83 3iaq s GLU 334 N -2.51 2.55 -0.26 3.89 2.12 -1.26 -4.90 118.70 118.33 3iaq s GLU 334 Ca -0.05 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.58 3iaq s GLU 334 Cb -0.01 -1.97 0.05 0.00 0.26 0.00 0.00 34.13 32.46 3iaq s GLU 334 CO -0.03 0.13 -0.09 0.08 -0.54 0.00 0.00 175.26 174.81 3iaq s VAL 335 N 0.44 2.44 0.02 3.70 1.01 -1.26 -1.31 120.40 125.44 3iaq s VAL 335 Ca -0.17 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.39 3iaq s VAL 335 Cb -0.17 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3iaq s VAL 335 CO 0.07 0.06 0.01 0.00 0.00 0.00 0.00 175.10 175.24 3iaq s ARG 336 N 1.19 0.35 -0.28 2.72 1.70 -1.08 -4.43 118.95 119.13 3iaq s ARG 336 Ca -0.05 -0.57 -0.15 0.00 -0.47 0.00 0.00 55.73 54.48 3iaq s ARG 336 Cb -0.19 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.29 3iaq s ARG 336 CO -0.05 -0.06 0.39 0.42 -1.08 0.00 0.00 175.30 174.92 3iaq s ILE 337 N -1.47 5.16 -0.05 4.99 1.01 -1.26 -1.09 121.20 128.48 3iaq s ILE 337 Ca -0.16 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.06 3iaq s ILE 337 Cb -0.09 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.65 3iaq s ILE 337 CO -0.01 0.11 -0.12 -0.70 0.00 0.00 0.00 174.94 174.22 3iaq s GLU 338 N 2.11 1.57 -1.49 2.79 2.12 -0.52 -4.82 118.70 120.45 3iaq s GLU 338 Ca 0.15 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 3iaq s GLU 338 Cb -0.16 -1.33 0.01 0.00 0.26 0.00 0.00 34.13 32.91 3iaq s GLU 338 CO 0.10 0.08 0.26 -1.71 -0.54 0.00 0.00 175.26 173.45 3iaq n ASN 339 N 3.62 -5.25 0.00 -1.70 5.15 -1.26 -1.31 115.26 114.50 3iaq n ASN 339 Ca -0.21 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 3iaq n ASN 339 Cb 0.52 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 35.43 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 -1.16 0.62 3.34 8.20 0.00 -1.26 -5.03 105.19 109.90 3iaq n GLY 340 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 2.20 -0.40 0.99 1.43 -0.43 -2.51 118.68 119.96 3iaq s LEU 341 Ca 0.00 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 3iaq s LEU 341 Cb 0.00 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.85 3iaq s LEU 341 CO 0.00 0.31 0.95 -0.22 0.23 0.00 0.00 176.35 177.62 3iaq s LEU 342 N -0.54 3.96 -0.11 1.79 2.96 -1.26 -1.44 118.68 124.04 3iaq s LEU 342 Ca 0.08 0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 54.43 3iaq s LEU 342 Cb -0.11 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3iaq s LEU 342 CO 0.00 -0.95 -0.00 -0.76 -1.32 0.00 0.00 176.35 173.32 3iaq s LEU 343 N 3.65 3.53 -0.23 -0.68 1.43 -0.25 -1.46 118.68 124.67 3iaq s LEU 343 Ca 0.39 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3iaq s LEU 343 Cb -0.11 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.33 3iaq s LEU 343 CO 0.22 0.31 -0.13 -0.22 0.23 0.00 0.00 176.35 176.76 3iaq s LEU 344 N -0.48 2.93 -1.39 1.79 2.96 0.61 -2.63 118.68 122.48 3iaq s LEU 344 Ca 0.08 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.88 3iaq s LEU 344 Cb -0.12 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.06 3iaq s LEU 344 CO 0.02 -0.11 0.94 0.59 -1.32 0.00 0.00 176.35 176.47 3iaq n ASN 345 N 4.54 -3.68 0.00 3.68 3.02 -0.43 -2.16 115.26 120.22 3iaq n ASN 345 Ca -0.17 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 3iaq n ASN 345 Cb 0.46 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 -1.65 0.35 3.24 7.41 0.00 -1.26 -5.01 105.19 108.27 3iaq n GLY 346 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.70 2.16 -0.08 1.61 -0.14 -0.92 -5.04 119.74 116.63 3iaq s LYS 347 Ca 0.00 -0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 53.49 3iaq s LYS 347 Cb 0.00 -1.92 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 3iaq s LYS 347 CO 0.00 0.40 1.23 -1.25 -0.76 0.00 0.00 175.35 174.97 3iaq s PRO 348 N -0.26 4.31 0.52 -1.68 0.04 -1.26 -0.28 135.00 136.39 3iaq s PRO 348 Ca 0.01 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 3iaq s PRO 348 Cb -0.12 -3.62 -0.07 0.00 0.04 0.00 0.00 34.50 30.74 3iaq s PRO 348 CO 0.02 -0.53 1.09 -0.51 0.04 0.00 0.00 177.00 177.10 3iaq s LEU 349 N 2.61 3.78 -0.23 -3.56 1.43 -0.54 -4.93 118.68 117.24 3iaq s LEU 349 Ca 0.56 2.05 0.02 0.00 -1.03 0.00 0.00 54.13 55.73 3iaq s LEU 349 Cb -0.24 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.45 3iaq s LEU 349 CO 0.20 -1.03 -0.14 -0.22 0.23 0.00 0.00 176.35 175.39 3iaq s LEU 350 N -3.70 2.85 -0.45 1.79 2.96 -1.26 -4.78 118.68 116.08 3iaq s LEU 350 Ca 0.70 -1.09 -0.27 0.00 -0.22 0.00 0.00 54.13 53.26 3iaq s LEU 350 Cb -0.20 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.04 3iaq s LEU 350 CO 0.24 -0.12 1.00 -0.63 -1.32 0.00 0.00 176.35 175.52 3iaq s ILE 351 N 1.21 4.39 -1.12 6.68 -1.09 0.23 -4.95 121.20 126.56 3iaq s ILE 351 Ca -0.03 0.98 -0.08 0.00 -2.23 0.00 0.00 60.65 59.28 3iaq s ILE 351 Cb -0.17 -4.48 0.28 0.00 -1.58 0.00 0.00 42.46 36.51 3iaq s ILE 351 CO -0.08 -0.85 1.16 0.54 -1.23 0.00 0.00 174.94 174.47 3iaq n ARG 352 N 7.35 3.65 -4.11 2.79 1.74 -1.26 -2.57 116.66 124.24 3iaq n ARG 352 Ca 0.08 -4.47 -0.24 0.00 -0.77 0.00 0.00 57.85 52.45 3iaq n ARG 352 Cb 0.49 -2.55 -0.07 0.00 -1.02 0.00 0.00 32.46 29.31 3iaq n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3iaq s GLY 353 N 0.96 2.21 -0.13 -0.13 0.00 -0.85 -0.10 107.32 109.27 3iaq s GLY 353 Ca 0.31 -2.02 -0.13 0.00 0.00 0.00 0.00 44.72 42.88 3iaq s GLY 353 CO -0.06 -1.87 0.37 0.54 0.00 0.00 0.00 173.10 172.09 3iaq s VAL 354 N -2.54 0.00 0.30 1.40 0.11 -0.88 -1.66 120.40 117.12 3iaq s VAL 354 Ca 0.40 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.15 3iaq s VAL 354 Cb 0.02 -0.53 -0.09 0.00 -1.53 0.00 0.00 36.38 34.25 3iaq s VAL 354 CO 0.23 -0.01 1.11 0.20 -3.33 0.00 0.00 175.10 173.29 3iaq s ASN 355 N 0.14 7.15 -0.15 3.54 0.01 0.08 -1.94 114.94 123.77 3iaq s ASN 355 Ca -0.01 2.27 -0.03 0.00 -0.71 0.00 0.00 52.86 54.38 3iaq s ASN 355 Cb -0.03 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 39.06 3iaq s ASN 355 CO 0.01 -0.23 0.04 -0.60 -1.51 0.00 0.00 177.10 174.81 3iaq s ARG 356 N -1.63 0.46 0.29 -0.60 3.52 -1.07 -0.92 118.95 118.99 3iaq s ARG 356 Ca 0.47 -0.17 -0.24 0.00 -0.13 0.00 0.00 55.73 55.66 3iaq s ARG 356 Cb -0.31 -1.68 -0.09 0.00 -1.56 0.00 0.00 34.95 31.31 3iaq s ARG 356 CO 0.40 -0.55 0.87 -1.01 -0.81 0.00 0.00 175.30 174.20 3iaq s HIS 357 N 1.97 3.69 -0.82 5.12 3.76 -1.26 -3.86 115.29 123.88 3iaq s HIS 357 Ca 0.02 1.66 -0.25 0.00 -0.15 0.00 0.00 55.06 56.33 3iaq s HIS 357 Cb -0.15 -2.82 0.01 0.00 1.11 0.00 0.00 32.58 30.72 3iaq s HIS 357 CO -0.07 0.26 1.57 -1.21 -0.85 0.00 0.00 174.74 174.44 3iaq s GLU 358 N -1.99 3.07 -0.01 1.40 2.02 -1.26 -4.90 118.70 117.03 3iaq s GLU 358 Ca 0.47 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.17 3iaq s GLU 358 Cb -0.18 -4.72 -0.01 0.00 0.10 0.00 0.00 34.13 29.32 3iaq s GLU 358 CO 0.23 -2.51 -0.10 -1.58 0.02 0.00 0.00 175.26 171.32 3iaq s HIS 359 N 7.01 0.86 -0.02 1.61 2.46 -1.26 -4.50 115.29 121.45 3iaq s HIS 359 Ca 0.51 -0.16 0.02 0.00 0.47 0.00 0.00 55.06 55.90 3iaq s HIS 359 Cb -0.06 -0.55 0.00 0.00 -0.13 0.00 0.00 32.58 31.83 3iaq s HIS 359 CO 0.06 -0.01 -0.08 -1.58 -2.47 0.00 0.00 174.74 170.65 3iaq s HIS 360 N -0.23 0.85 0.40 3.88 2.46 0.19 -4.99 115.29 117.85 3iaq s HIS 360 Ca 0.04 -0.19 0.15 0.00 0.47 0.00 0.00 55.06 55.53 3iaq s HIS 360 Cb -0.04 -0.60 0.91 0.00 -0.13 0.00 0.00 32.58 32.73 3iaq s HIS 360 CO -0.00 -0.07 1.91 -1.00 -2.47 0.00 0.00 174.74 173.11 3iaq h PRO 361 N 6.26 0.00 0.00 2.88 0.13 -1.75 -1.84 132.00 137.68 3iaq h PRO 361 Ca -0.32 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.52 3iaq h PRO 361 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 3iaq h PRO 361 CO 0.49 0.27 -2.10 1.28 -0.23 0.00 0.00 178.00 177.72 3iaq n LEU 362 N -4.09 1.63 -0.50 1.56 4.77 -1.26 -1.54 117.00 117.57 3iaq n LEU 362 Ca -0.02 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.01 3iaq n LEU 362 Cb 0.33 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3iaq n LEU 362 CO 0.37 0.63 0.30 1.41 -1.33 0.00 0.00 177.39 178.77 3iaq n HIS 363 N -2.85 0.00 0.00 -1.77 8.25 -1.25 -4.96 115.22 112.64 3iaq n HIS 363 Ca -0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 3iaq n HIS 363 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 1.42 1.71 0.46 -1.41 0.00 -0.69 -3.45 105.19 103.22 3iaq n GLY 364 Ca 0.09 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 2.27 -3.10 1.61 6.02 -1.26 0.56 117.38 123.47 3iaq n GLN 365 Ca 0.00 -2.54 -0.39 0.00 -0.01 0.00 0.00 57.00 54.06 3iaq n GLN 365 Cb 0.00 -1.58 -0.05 0.00 1.02 0.00 0.00 30.24 29.63 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 -2.51 5.07 -0.09 5.09 1.01 -1.22 -4.91 120.40 122.84 3iaq s VAL 366 Ca 0.32 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 3iaq s VAL 366 Cb 0.26 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3iaq s VAL 366 CO 0.06 0.27 0.01 -0.04 0.00 0.00 0.00 175.10 175.41 3iaq s MET 367 N 0.73 3.08 0.22 2.72 -1.94 -1.26 -4.72 119.30 118.12 3iaq s MET 367 Ca 0.35 -0.39 0.08 0.00 -1.71 0.00 0.00 55.69 54.02 3iaq s MET 367 Cb -0.17 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 3iaq s MET 367 CO 0.17 0.67 -0.15 0.16 -0.01 0.00 0.00 175.02 175.85 3iaq s ASP 368 N -0.79 2.74 0.14 3.03 -4.77 -1.26 -5.04 116.67 110.72 3iaq s ASP 368 Ca 0.12 -1.02 -0.17 0.00 -3.30 0.00 0.00 52.55 48.18 3iaq s ASP 368 Cb -0.12 -0.16 -0.01 0.00 -1.09 0.00 0.00 42.92 41.54 3iaq s ASP 368 CO 0.02 -0.13 1.77 -0.08 0.70 0.00 0.00 175.17 177.45 3iaq h GLU 369 N 2.51 0.47 -0.60 2.11 4.81 -1.99 -2.18 114.58 119.71 3iaq h GLU 369 Ca -0.38 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 58.92 3iaq h GLU 369 Cb 1.23 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3iaq h GLU 369 CO 0.62 0.35 0.12 0.37 -0.73 0.00 0.00 179.01 179.74 3iaq h GLN 370 N 0.46 0.24 -0.07 1.92 4.15 -1.99 0.73 115.11 120.54 3iaq h GLN 370 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3iaq h GLN 370 Cb -0.00 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 3iaq h GLN 370 CO -0.02 0.16 0.01 1.15 -1.93 0.00 0.00 178.83 178.19 3iaq h THR 371 N 0.25 1.23 -0.26 2.39 2.02 -1.95 -2.17 112.91 114.41 3iaq h THR 371 Ca 0.32 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3iaq h THR 371 Cb 0.48 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3iaq h THR 371 CO -0.41 0.20 -0.03 0.24 0.37 0.00 0.00 175.52 175.88 3iaq h MET 372 N -0.13 0.03 -0.82 6.66 2.86 -0.71 -1.18 114.93 121.64 3iaq h MET 372 Ca 0.02 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3iaq h MET 372 Cb 0.30 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3iaq h MET 372 CO 0.00 0.02 0.39 0.28 1.06 0.00 0.00 176.91 178.67 3iaq h VAL 373 N 0.04 1.25 -0.84 -2.22 2.07 -0.91 -0.80 116.25 114.84 3iaq h VAL 373 Ca 0.12 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3iaq h VAL 373 Cb 0.17 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 3iaq h VAL 373 CO -0.24 0.31 0.50 -0.61 0.02 0.00 0.00 177.57 177.55 3iaq h GLN 374 N 1.17 1.15 0.25 1.57 4.15 -0.88 0.67 115.11 123.20 3iaq h GLN 374 Ca 0.28 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3iaq h GLN 374 Cb 0.12 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3iaq h GLN 374 CO -0.04 0.82 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.12 3iaq h ASP 375 N 1.16 -0.29 -0.73 -0.69 3.32 -0.80 -2.27 116.42 116.13 3iaq h ASP 375 Ca 0.30 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.28 3iaq h ASP 375 Cb -0.03 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 3iaq h ASP 375 CO -0.05 -0.00 0.39 0.40 -1.72 0.00 0.00 179.24 178.25 3iaq h ILE 376 N -0.58 0.89 0.02 0.35 2.04 -0.98 -0.45 117.51 118.79 3iaq h ILE 376 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3iaq h ILE 376 Cb 0.42 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3iaq h ILE 376 CO 0.06 0.12 -0.01 -0.07 0.00 0.00 0.00 178.15 178.25 3iaq h LEU 377 N 0.67 -0.02 -1.30 1.44 3.38 -0.86 -1.94 115.31 116.68 3iaq h LEU 377 Ca 0.35 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 3iaq h LEU 377 Cb 0.32 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3iaq h LEU 377 CO -0.24 0.01 0.00 -0.07 0.09 0.00 0.00 178.44 178.23 3iaq h LEU 378 N -0.05 0.44 0.24 1.67 3.38 -0.96 0.51 115.31 120.55 3iaq h LEU 378 Ca -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iaq h LEU 378 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3iaq h LEU 378 CO 0.00 0.51 -0.12 0.24 0.09 0.00 0.00 178.44 179.17 3iaq h MET 379 N 0.46 -0.31 -0.67 1.13 2.86 -0.89 -1.45 114.93 116.06 3iaq h MET 379 Ca 0.10 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3iaq h MET 379 Cb 0.30 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3iaq h MET 379 CO 0.01 -0.00 0.22 0.87 1.06 0.00 0.00 176.91 179.07 3iaq h LYS 380 N -0.63 1.01 0.00 1.72 1.57 -1.25 0.20 116.57 119.19 3iaq h LYS 380 Ca -0.03 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3iaq h LYS 380 Cb 0.45 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3iaq h LYS 380 CO 0.05 0.85 -0.09 1.96 -0.57 0.00 0.00 179.45 181.66 3iaq h GLN 381 N 0.98 0.00 -0.61 3.15 4.20 -0.85 -2.61 115.11 119.37 3iaq h GLN 381 Ca 0.22 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.63 3iaq h GLN 381 Cb 0.25 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.85 3iaq h GLN 381 CO -0.01 0.09 0.21 0.09 -0.67 0.00 0.00 178.83 178.54 3iaq n ASN 382 N -4.00 3.11 -2.63 1.46 3.02 -0.55 -4.94 115.26 110.73 3iaq n ASN 382 Ca -0.02 -3.67 -0.19 0.00 -0.03 0.00 0.00 54.58 50.67 3iaq n ASN 382 Cb 0.18 -0.72 0.03 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.06 -5.55 -4.81 6.41 3.02 -0.98 -3.75 115.26 108.54 3iaq n ASN 383 Ca 0.43 -0.24 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 3iaq n ASN 383 Cb 1.29 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 36.00 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 -3.09 3.63 0.00 3.10 0.08 -0.01 -4.83 117.98 116.86 3iaq s PHE 384 Ca 0.26 0.83 0.00 0.00 0.12 0.00 0.00 56.93 58.13 3iaq s PHE 384 Cb -0.11 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 3iaq s PHE 384 CO 0.32 0.52 0.69 0.27 -0.10 0.00 0.00 175.22 176.92 3iaq n ASN 385 N 2.42 1.33 -3.79 1.36 0.23 0.85 -4.08 115.26 113.59 3iaq n ASN 385 Ca -0.14 -1.43 -0.12 0.00 -0.53 0.00 0.00 54.58 52.36 3iaq n ASN 385 Cb 0.53 0.00 -0.08 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 -0.43 -0.63 -0.03 -2.53 0.00 -0.93 -0.57 121.76 116.64 3iaq s ALA 386 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 3iaq s ALA 386 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.29 3iaq s ALA 386 CO 0.00 -0.30 0.08 0.54 0.00 0.00 0.00 175.76 176.08 3iaq s VAL 387 N -1.76 0.00 -0.13 0.00 0.11 0.11 -2.08 120.40 116.65 3iaq s VAL 387 Ca -0.11 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 3iaq s VAL 387 Cb -0.04 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 3iaq s VAL 387 CO 0.01 -0.02 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.12 3iaq s ARG 388 N -0.02 3.47 -1.29 1.54 3.52 -0.82 -1.18 118.95 124.17 3iaq s ARG 388 Ca -0.01 -0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 54.91 3iaq s ARG 388 Cb -0.01 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 3iaq s ARG 388 CO 0.00 0.35 2.06 0.00 -0.81 0.00 0.00 175.30 176.90 3iaq s SER 390 N 3.93 6.96 -0.50 0.00 1.04 -1.25 -1.31 113.70 122.56 3iaq s SER 390 Ca 0.52 1.33 0.07 0.00 0.48 0.00 0.00 55.95 58.36 3iaq s SER 390 Cb 0.11 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.97 3iaq s SER 390 CO -0.00 -0.81 0.68 1.41 0.98 0.00 0.00 173.24 175.50 3iaq n HIS 391 N 6.73 1.69 -3.60 5.02 -0.00 -1.26 -4.13 115.22 119.66 3iaq n HIS 391 Ca 0.13 -3.86 -0.05 0.00 -0.00 0.00 0.00 57.72 53.93 3iaq n HIS 391 Cb 0.46 -0.45 -0.04 0.00 -0.00 0.00 0.00 29.99 29.96 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 -2.10 -0.17 0.40 4.41 -0.85 -0.43 -4.39 117.35 114.21 3iaq s TYR 392 Ca 0.39 0.23 -0.27 0.00 -0.52 0.00 0.00 57.07 56.90 3iaq s TYR 392 Cb 0.20 0.49 -0.10 0.00 0.38 0.00 0.00 41.96 42.93 3iaq s TYR 392 CO -0.07 -0.20 1.44 -2.30 -1.52 0.00 0.00 175.55 172.90 3iaq n PRO 393 N 0.33 2.47 -2.25 -3.49 -0.02 -0.93 -4.62 135.00 126.49 3iaq n PRO 393 Ca -0.03 0.87 -0.26 0.00 -2.02 0.00 0.00 63.50 62.06 3iaq n PRO 393 Cb 0.58 -2.61 0.08 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.26 4.69 0.12 2.55 -0.87 -1.26 -4.80 114.94 115.10 3iaq s ASN 394 Ca 0.56 0.34 -0.35 0.00 -1.57 0.00 0.00 52.86 51.84 3iaq s ASN 394 Cb -0.48 -0.94 -0.16 0.00 -0.02 0.00 0.00 41.25 39.65 3iaq s ASN 394 CO 0.62 -1.67 1.27 1.57 -2.57 0.00 0.00 177.10 176.32 3iaq n HIS 395 N -2.93 1.43 -0.39 2.20 -0.00 -1.26 -4.82 115.22 109.45 3iaq n HIS 395 Ca 0.09 0.65 0.32 0.00 -0.00 0.00 0.00 57.72 58.78 3iaq n HIS 395 Cb 0.60 -2.31 0.59 0.00 -0.00 0.00 0.00 29.99 28.87 3iaq n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3iaq h PRO 396 N 4.09 0.17 -0.00 1.57 0.13 -1.96 -0.24 132.00 135.76 3iaq h PRO 396 Ca -0.46 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 3iaq h PRO 396 Cb 1.34 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3iaq h PRO 396 CO 0.75 0.11 -0.43 1.25 -0.23 0.00 0.00 178.00 179.44 3iaq h LEU 397 N 0.17 0.01 -1.37 1.56 5.85 -2.01 -3.13 115.31 116.39 3iaq h LEU 397 Ca 0.77 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.65 3iaq h LEU 397 Cb 2.20 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 43.16 3iaq h LEU 397 CO -0.48 0.44 0.57 -0.25 -0.34 0.00 0.00 178.44 178.38 3iaq h TRP 398 N 0.01 0.72 -0.10 1.25 2.91 -1.38 -1.46 115.95 117.90 3iaq h TRP 398 Ca -0.00 0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.89 3iaq h TRP 398 Cb 0.77 -0.22 0.01 0.00 -0.51 0.00 0.00 29.16 29.20 3iaq h TRP 398 CO 0.00 0.25 -0.53 1.88 -1.03 0.00 0.00 178.44 179.01 3iaq h TYR 399 N 0.59 0.72 -0.38 2.65 -1.99 -1.71 -2.00 116.97 114.84 3iaq h TYR 399 Ca 0.44 -0.32 0.08 0.00 2.00 0.00 0.00 58.73 60.93 3iaq h TYR 399 Cb 0.83 -0.11 -0.07 0.00 2.00 0.00 0.00 36.73 39.37 3iaq h TYR 399 CO -0.00 1.10 -0.11 1.15 -0.00 0.00 0.00 178.16 180.30 3iaq h THR 400 N 0.12 0.59 -0.23 -2.88 2.02 -1.44 0.22 112.91 111.31 3iaq h THR 400 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 3iaq h THR 400 Cb 1.17 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3iaq h THR 400 CO 0.11 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 176.05 3iaq h LEU 401 N -0.02 0.19 -1.51 2.58 3.38 -1.31 -2.42 115.31 116.20 3iaq h LEU 401 Ca 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3iaq h LEU 401 Cb 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iaq h LEU 401 CO -0.40 0.14 -0.25 0.00 0.09 0.00 0.00 178.44 178.02 3iaq h ASP 403 N 0.00 0.98 0.11 0.00 3.32 -0.22 -2.25 116.42 118.36 3iaq h ASP 403 Ca -0.00 -0.12 -0.36 0.00 0.02 0.00 0.00 57.03 56.57 3iaq h ASP 403 Cb 0.46 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3iaq h ASP 403 CO 0.03 0.83 -1.96 0.54 -1.72 0.00 0.00 179.24 176.96 3iaq n ARG 404 N -4.40 0.74 0.09 3.56 1.74 -0.72 -4.17 116.66 113.49 3iaq n ARG 404 Ca 0.07 0.28 -0.07 0.00 -0.77 0.00 0.00 57.85 57.36 3iaq n ARG 404 Cb 0.12 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.85 3iaq n ARG 404 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 3iaq h TYR 405 N -0.03 0.19 -1.05 -1.55 0.05 -0.69 -3.44 116.97 110.45 3iaq h TYR 405 Ca -0.43 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.24 3iaq h TYR 405 Cb 1.96 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.68 3iaq h TYR 405 CO 0.08 0.94 0.00 0.41 -1.05 0.00 0.00 178.16 178.54 3iaq n GLY 406 N 0.91 -0.82 3.02 3.88 0.00 -0.89 -4.75 105.19 106.54 3iaq n GLY 406 Ca -0.03 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.08 0.82 -0.04 0.99 1.43 -0.98 -4.62 118.68 116.19 3iaq s LEU 407 Ca 0.00 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 3iaq s LEU 407 Cb 0.00 0.58 -0.04 0.00 0.03 0.00 0.00 46.19 46.76 3iaq s LEU 407 CO 0.00 -0.12 1.30 -0.31 0.23 0.00 0.00 176.35 177.45 3iaq s TYR 408 N 0.83 2.97 -0.12 0.29 2.02 0.27 -4.76 117.35 118.84 3iaq s TYR 408 Ca -0.06 1.00 -0.02 0.00 -0.37 0.00 0.00 57.07 57.62 3iaq s TYR 408 Cb -0.08 -3.55 -0.03 0.00 -0.40 0.00 0.00 41.96 37.91 3iaq s TYR 408 CO -0.05 -1.90 -0.06 0.08 -1.57 0.00 0.00 175.55 172.05 3iaq s VAL 409 N 2.49 3.67 -0.38 0.71 1.01 0.64 0.07 120.40 128.61 3iaq s VAL 409 Ca 0.60 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3iaq s VAL 409 Cb -0.27 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3iaq s VAL 409 CO 0.23 0.53 0.24 -0.69 0.00 0.00 0.00 175.10 175.42 3iaq s VAL 410 N 0.00 4.88 -0.19 2.92 1.01 -0.33 -1.88 120.40 126.82 3iaq s VAL 410 Ca -0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3iaq s VAL 410 Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3iaq s VAL 410 CO 0.03 -0.24 0.64 -0.62 0.00 0.00 0.00 175.10 174.92 3iaq s ASP 411 N 1.62 6.72 -0.09 3.32 -1.08 -0.82 -0.87 116.67 125.47 3iaq s ASP 411 Ca 0.04 0.87 0.05 0.00 -0.52 0.00 0.00 52.55 52.98 3iaq s ASP 411 Cb -0.19 -2.36 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 3iaq s ASP 411 CO 0.08 -0.27 -0.24 -0.70 0.52 0.00 0.00 175.17 174.56 3iaq s GLU 412 N 1.86 2.88 0.65 4.34 2.12 -1.26 0.85 118.70 130.14 3iaq s GLU 412 Ca 0.30 -0.88 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 3iaq s GLU 412 Cb -0.16 -2.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.96 3iaq s GLU 412 CO 0.11 0.26 1.17 0.00 -0.54 0.00 0.00 175.26 176.26 3iaq s ALA 413 N 0.14 2.40 -1.48 6.30 0.00 -0.23 -2.19 121.76 126.70 3iaq s ALA 413 Ca -0.12 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 3iaq s ALA 413 Cb -0.16 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3iaq s ALA 413 CO 0.07 -1.39 2.50 -1.71 0.00 0.00 0.00 175.76 175.23 3iaq n ASN 414 N -2.17 6.65 -3.75 0.00 5.15 -1.26 -4.26 115.26 115.63 3iaq n ASN 414 Ca 0.12 -2.82 -0.29 0.00 -0.60 0.00 0.00 54.58 51.00 3iaq n ASN 414 Cb 0.51 -1.55 -0.16 0.00 -0.53 0.00 0.00 39.78 38.05 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 1.73 0.78 -0.12 -1.44 1.01 -1.24 -4.68 121.20 117.24 3iaq s ILE 415 Ca 0.56 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 3iaq s ILE 415 Cb 0.16 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 41.24 3iaq s ILE 415 CO -0.07 -0.47 0.11 -0.69 0.00 0.00 0.00 174.94 173.82 3iaq s VAL 416 N 1.69 -0.15 -0.26 2.92 1.01 0.21 -1.94 120.40 123.89 3iaq s VAL 416 Ca 0.05 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.21 3iaq s VAL 416 Cb -0.17 -0.42 0.45 0.00 0.00 0.00 0.00 36.38 36.24 3iaq s VAL 416 CO -0.18 -0.07 1.19 0.35 0.00 0.00 0.00 175.10 176.39 3iaq n THR 417 N 5.30 2.31 -0.29 3.92 -2.24 -1.01 -0.37 114.28 121.91 3iaq n THR 417 Ca -0.05 -3.84 0.12 0.00 -2.27 0.00 0.00 64.05 58.01 3iaq n THR 417 Cb 0.49 -0.72 0.28 0.00 -2.10 0.00 0.00 70.33 68.29 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 1.91 0.41 0.00 4.78 2.76 -1.46 -2.31 115.15 121.24 3iaq h HIS 418 Ca 0.24 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3iaq h HIS 418 Cb 1.41 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.32 3iaq h HIS 418 CO 0.79 -0.16 0.00 0.41 -1.30 0.00 0.00 177.93 177.67 3iaq n GLY 419 N -1.36 -0.83 3.78 5.26 0.00 -1.12 -4.81 105.19 106.11 3iaq n GLY 419 Ca 0.21 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 2.74 -0.20 1.61 1.00 -0.87 -4.74 119.30 116.79 3iaq s MET 420 Ca 0.37 1.20 -0.03 0.00 0.00 0.00 0.00 55.69 57.24 3iaq s MET 420 Cb 0.18 -1.95 0.06 0.00 0.00 0.00 0.00 34.83 33.11 3iaq s MET 420 CO 0.30 -1.27 0.04 0.08 0.00 0.00 0.00 175.02 174.17 3iaq s VAL 421 N -2.68 0.54 0.98 -6.03 1.01 -1.26 -3.29 120.40 109.67 3iaq s VAL 421 Ca 0.63 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 3iaq s VAL 421 Cb -0.17 -1.07 0.18 0.00 0.00 0.00 0.00 36.38 35.32 3iaq s VAL 421 CO 0.48 -0.24 1.18 -2.16 0.00 0.00 0.00 175.10 174.37 3iaq s PRO 422 N 1.84 0.59 0.62 2.72 0.04 -1.26 -4.86 135.00 134.69 3iaq s PRO 422 Ca -0.01 0.02 0.33 0.00 0.04 0.00 0.00 61.00 61.39 3iaq s PRO 422 Cb -0.17 -1.80 1.93 0.00 0.04 0.00 0.00 34.50 34.50 3iaq s PRO 422 CO -0.09 -2.52 2.23 1.98 0.04 0.00 0.00 177.00 178.64 3iaq h MET 423 N -1.72 0.00 -0.49 4.56 4.05 -1.87 -2.17 114.93 117.29 3iaq h MET 423 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 3iaq h MET 423 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 3iaq h MET 423 CO 0.50 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.91 3iaq n ASN 424 N -3.58 3.10 -0.29 1.39 6.94 -1.25 -3.83 115.26 117.75 3iaq n ASN 424 Ca -0.02 -1.96 0.10 0.00 -0.02 0.00 0.00 54.58 52.68 3iaq n ASN 424 Cb 0.16 -0.32 0.26 0.00 -2.36 0.00 0.00 39.78 37.51 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 3.63 0.37 0.10 -3.83 2.43 -1.70 0.33 114.38 115.71 3iaq h ARG 425 Ca 0.00 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.95 3iaq h ARG 425 Cb 0.82 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3iaq h ARG 425 CO 0.00 0.25 -0.95 -0.07 -1.51 0.00 0.00 179.97 177.69 3iaq h LEU 426 N 0.39 0.34 -0.87 3.80 3.38 -1.86 -3.20 115.31 117.28 3iaq h LEU 426 Ca 0.50 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3iaq h LEU 426 Cb 0.89 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3iaq h LEU 426 CO -0.50 1.43 0.00 0.71 0.09 0.00 0.00 178.44 180.16 3iaq h THR 427 N -0.48 0.00 0.00 0.22 1.35 -1.70 -1.12 112.91 111.18 3iaq h THR 427 Ca -0.20 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3iaq h THR 427 Cb 1.57 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3iaq h THR 427 CO 0.07 0.00 -1.27 -0.67 -0.25 0.00 0.00 175.52 173.40 3iaq n ASP 428 N -2.39 0.52 -4.67 5.36 2.03 0.11 -2.29 116.55 115.22 3iaq n ASP 428 Ca 0.02 -0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.79 3iaq n ASP 428 Cb 0.24 1.06 -0.02 0.00 -0.72 0.00 0.00 41.12 41.67 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 -4.28 7.12 0.56 1.67 -1.08 -0.42 -4.54 116.67 115.69 3iaq s ASP 429 Ca 0.00 1.49 0.32 0.00 -0.52 0.00 0.00 52.55 53.85 3iaq s ASP 429 Cb 0.13 -2.55 1.64 0.00 -1.46 0.00 0.00 42.92 40.69 3iaq s ASP 429 CO 0.83 -0.61 2.12 1.55 0.52 0.00 0.00 175.17 179.58 3iaq h PRO 430 N 7.45 0.00 0.00 4.34 0.13 -1.90 -2.38 132.00 139.63 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 0.94 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 179.32 3iaq n ARG 431 N -3.43 0.11 -0.09 0.86 1.74 -1.26 -2.25 116.66 112.34 3iaq n ARG 431 Ca -0.02 0.16 0.05 0.00 -0.77 0.00 0.00 57.85 57.28 3iaq n ARG 431 Cb 0.21 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.25 3iaq n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3iaq n TRP 432 N -1.41 0.24 -0.09 -1.55 7.02 -0.90 -4.64 117.44 116.12 3iaq n TRP 432 Ca 0.06 -0.27 -0.12 0.00 -1.02 0.00 0.00 57.50 56.15 3iaq n TRP 432 Cb 0.18 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.01 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 2.07 0.55 -0.19 -0.99 5.85 -1.51 -1.98 115.31 119.10 3iaq h LEU 433 Ca 0.00 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3iaq h LEU 433 Cb 0.60 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3iaq h LEU 433 CO 0.00 0.83 0.04 -0.65 -0.34 0.00 0.00 178.44 178.32 3iaq h PRO 434 N 0.26 0.11 -0.84 5.25 0.11 -1.82 0.18 132.00 135.25 3iaq h PRO 434 Ca 0.06 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.18 3iaq h PRO 434 Cb 0.62 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.66 3iaq h PRO 434 CO 0.04 0.07 0.55 0.00 -0.21 0.00 0.00 178.00 178.45 3iaq h ALA 435 N 1.14 1.09 -0.26 -0.75 0.00 -1.73 -2.30 119.26 116.45 3iaq h ALA 435 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3iaq h ALA 435 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iaq h ALA 435 CO -0.12 0.42 -0.12 0.52 0.00 0.00 0.00 179.25 179.95 3iaq h MET 436 N 1.09 0.53 -0.76 0.00 2.86 -1.10 -3.24 114.93 114.32 3iaq h MET 436 Ca 0.32 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3iaq h MET 436 Cb -0.05 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 3iaq h MET 436 CO -0.09 0.78 0.46 0.66 1.06 0.00 0.00 176.91 179.77 3iaq h SER 437 N 0.26 0.71 0.04 1.22 4.64 -0.35 -0.68 113.55 119.40 3iaq h SER 437 Ca 0.06 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3iaq h SER 437 Cb 0.62 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3iaq h SER 437 CO 0.04 0.47 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.13 3iaq h GLU 438 N 0.85 0.00 0.00 4.77 5.08 -1.45 0.48 114.58 124.32 3iaq h GLU 438 Ca 0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3iaq h GLU 438 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3iaq h GLU 438 CO -0.16 0.01 -0.87 0.00 -1.00 0.00 0.00 179.01 176.98 3iaq h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -1.17 -3.11 114.38 115.51 3iaq h ARG 439 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3iaq h ARG 439 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3iaq h ARG 439 CO 0.00 0.07 -1.33 0.28 -1.07 0.00 0.00 179.97 177.92 3iaq n VAL 440 N -2.81 1.53 -0.14 2.04 0.31 -0.62 -4.09 118.33 114.56 3iaq n VAL 440 Ca -0.01 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 3iaq n VAL 440 Cb 0.60 -2.04 0.07 0.00 -0.91 0.00 0.00 33.84 31.56 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 -1.00 1.27 0.00 2.52 1.35 -0.24 -2.54 112.91 114.27 3iaq h THR 441 Ca -0.36 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.22 3iaq h THR 441 Cb 1.30 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3iaq h THR 441 CO -0.22 0.43 -0.10 0.03 -0.25 0.00 0.00 175.52 175.41 3iaq h ARG 442 N 0.80 0.00 0.20 4.72 3.08 -1.73 -2.19 114.38 119.25 3iaq h ARG 442 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3iaq h ARG 442 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3iaq h ARG 442 CO 0.05 0.10 -0.10 1.98 -1.07 0.00 0.00 179.97 180.93 3iaq h MET 443 N 0.00 -0.26 -0.55 0.04 4.05 -1.63 -2.91 114.93 113.67 3iaq h MET 443 Ca -0.00 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 3iaq h MET 443 Cb 0.85 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 3iaq h MET 443 CO 0.01 0.08 0.33 0.28 0.23 0.00 0.00 176.91 177.85 3iaq h VAL 444 N -0.65 1.07 0.00 -5.77 2.07 -1.39 -0.39 116.25 111.20 3iaq h VAL 444 Ca -0.03 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3iaq h VAL 444 Cb 0.46 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3iaq h VAL 444 CO 0.05 0.12 -0.05 1.56 0.02 0.00 0.00 177.57 179.26 3iaq h GLN 445 N 0.67 0.00 0.12 1.57 4.20 -1.49 -2.03 115.11 118.15 3iaq h GLN 445 Ca 0.22 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.57 3iaq h GLN 445 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3iaq h GLN 445 CO -0.09 0.05 -1.91 -0.09 -0.67 0.00 0.00 178.83 176.12 3iaq h ARG 446 N 0.00 0.26 -0.01 1.46 2.43 -1.15 -2.09 114.38 115.27 3iaq h ARG 446 Ca -0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3iaq h ARG 446 Cb 0.12 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3iaq h ARG 446 CO 0.01 1.15 -0.09 -0.25 -1.51 0.00 0.00 179.97 179.28 3iaq n ASP 447 N -3.45 1.81 0.16 -3.80 8.00 -0.23 -4.30 116.55 114.75 3iaq n ASP 447 Ca -0.28 -1.41 0.13 0.00 0.71 0.00 0.00 54.79 53.94 3iaq n ASP 447 Cb 1.05 0.17 0.54 0.00 -0.02 0.00 0.00 41.12 42.86 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 2.10 0.00 -0.01 -1.24 0.11 -1.59 -2.24 114.38 111.52 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 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3iaq h ARG 448 CO 0.00 0.00 -0.32 0.09 0.10 0.00 0.00 179.97 179.84 3iaq n ASN 449 N -2.41 1.11 -4.63 0.08 3.02 -1.26 -4.86 115.26 106.30 3iaq n ASN 449 Ca 0.02 -0.92 -0.43 0.00 -0.03 0.00 0.00 54.58 53.21 3iaq n ASN 449 Cb 0.24 0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.54 3.03 0.42 3.10 3.76 -0.84 -4.84 115.29 117.37 3iaq s HIS 450 Ca 0.22 1.08 0.21 0.00 -0.15 0.00 0.00 55.06 56.43 3iaq s HIS 450 Cb 0.19 -3.82 1.19 0.00 1.11 0.00 0.00 32.58 31.25 3iaq s HIS 450 CO 0.55 -0.98 2.01 -1.00 -0.85 0.00 0.00 174.74 174.46 3iaq h PRO 451 N 8.42 0.00 -0.14 8.40 0.13 -1.88 -2.65 132.00 144.28 3iaq h PRO 451 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3iaq h PRO 451 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3iaq h PRO 451 CO 1.05 0.18 -0.01 0.66 -0.23 0.00 0.00 178.00 179.64 3iaq h SER 452 N 0.00 0.18 -2.82 1.44 4.64 -1.86 -3.39 113.55 111.74 3iaq h SER 452 Ca -0.00 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.74 3iaq h SER 452 Cb 0.38 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3iaq h SER 452 CO 0.02 0.24 1.06 -0.69 -0.87 0.00 0.00 176.83 176.59 3iaq s VAL 453 N -4.98 3.84 -0.01 0.95 1.01 -1.00 -0.26 120.40 119.96 3iaq s VAL 453 Ca -0.06 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.92 3iaq s VAL 453 Cb 0.16 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3iaq s VAL 453 CO 0.71 -0.26 0.05 2.30 0.00 0.00 0.00 175.10 177.90 3iaq n ILE 454 N 6.05 0.02 -4.10 2.22 -5.35 -0.79 -4.93 119.36 112.47 3iaq n ILE 454 Ca 0.17 -0.06 -0.15 0.00 -0.27 0.00 0.00 62.75 62.44 3iaq n ILE 454 Cb 0.45 0.31 -0.14 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.16 0.33 0.04 7.28 1.01 -1.22 -3.86 121.20 122.62 3iaq s ILE 455 Ca -0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 3iaq s ILE 455 Cb 0.02 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 3iaq s ILE 455 CO 0.10 0.10 0.34 0.26 0.00 0.00 0.00 174.94 175.74 3iaq s TRP 456 N -0.06 3.59 -0.07 3.97 0.52 -0.40 -1.93 118.94 124.56 3iaq s TRP 456 Ca 0.01 0.71 0.05 0.00 0.02 0.00 0.00 56.10 56.89 3iaq s TRP 456 Cb -0.02 -2.09 -0.00 0.00 -1.15 0.00 0.00 33.47 30.20 3iaq s TRP 456 CO -0.00 0.57 -0.22 0.45 0.02 0.00 0.00 176.95 177.76 3iaq s SER 457 N -1.69 2.81 0.00 2.95 0.15 0.25 -0.61 113.70 117.55 3iaq s SER 457 Ca 0.30 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.71 3iaq s SER 457 Cb -0.14 -0.96 1.21 0.00 -1.71 0.00 0.00 66.02 64.42 3iaq s SER 457 CO 0.17 0.19 1.79 0.18 1.20 0.00 0.00 173.24 176.76 3iaq n LEU 458 N 3.21 0.00 0.00 3.45 4.77 -1.06 -1.06 117.00 126.31 3iaq n LEU 458 Ca -0.18 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3iaq n LEU 458 Cb 0.52 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3iaq n LEU 458 CO 0.26 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3iaq n GLY 459 N 0.72 0.61 3.49 -0.72 0.00 -1.26 -4.61 105.19 103.43 3iaq n GLY 459 Ca 0.12 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.60 -0.50 1.61 2.47 -0.82 -4.73 114.94 108.37 3iaq s ASN 460 Ca 0.00 0.83 -0.09 0.00 0.42 0.00 0.00 52.86 54.02 3iaq s ASN 460 Cb 0.00 0.77 0.01 0.00 -1.45 0.00 0.00 41.25 40.58 3iaq s ASN 460 CO 0.00 -0.46 0.44 -0.62 -3.72 0.00 0.00 177.10 172.74 3iaq n GLU 461 N 1.57 -1.18 -1.02 0.43 1.02 -1.26 -4.09 120.64 116.10 3iaq n GLU 461 Ca -0.18 0.67 0.01 0.00 -0.02 0.00 0.00 57.16 57.65 3iaq n GLU 461 Cb 0.56 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.14 0.41 0.00 1.62 7.64 -1.26 -1.36 113.62 119.52 3iaq n SER 462 Ca -0.18 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.76 3iaq n SER 462 Cb 0.49 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.24 1.03 2.78 0.23 0.00 -1.25 -3.89 105.19 104.33 3iaq n GLY 463 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 0.79 0.46 1.61 2.46 -1.26 -3.40 115.29 115.95 3iaq s HIS 464 Ca 0.00 -0.29 0.03 0.00 0.47 0.00 0.00 55.06 55.27 3iaq s HIS 464 Cb 0.00 -0.87 -0.02 0.00 -0.13 0.00 0.00 32.58 31.56 3iaq s HIS 464 CO 0.00 -0.37 0.05 0.20 -2.47 0.00 0.00 174.74 172.15 3iaq s GLY 465 N 1.93 2.81 0.28 1.59 0.00 -1.26 -4.86 107.32 107.81 3iaq s GLY 465 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 3iaq s GLY 465 CO -0.06 -2.04 1.93 0.00 0.00 0.00 0.00 173.10 172.93 3iaq h ALA 466 N 1.57 1.33 -0.29 3.20 0.00 -1.79 -2.58 119.26 120.70 3iaq h ALA 466 Ca -0.41 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3iaq h ALA 466 Cb 1.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3iaq h ALA 466 CO 0.68 0.58 0.21 -0.91 0.00 0.00 0.00 179.25 179.80 3iaq h ASN 467 N 1.14 0.03 -0.21 0.00 2.35 -1.75 -1.23 115.58 115.91 3iaq h ASN 467 Ca 0.30 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3iaq h ASN 467 Cb -0.06 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3iaq h ASN 467 CO -0.06 0.02 0.04 0.45 -1.65 0.00 0.00 177.43 176.23 3iaq h HIS 468 N 0.03 0.37 -0.58 1.19 3.86 -1.64 -2.16 115.15 116.22 3iaq h HIS 468 Ca 0.14 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3iaq h HIS 468 Cb 0.50 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3iaq h HIS 468 CO -0.00 0.48 0.26 -0.44 0.86 0.00 0.00 177.93 179.09 3iaq h ASP 469 N 0.15 0.79 0.25 2.45 3.32 -1.30 0.34 116.42 122.42 3iaq h ASP 469 Ca 0.06 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3iaq h ASP 469 Cb 0.31 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3iaq h ASP 469 CO 0.00 0.72 -0.29 0.00 -1.72 0.00 0.00 179.24 177.95 3iaq h ALA 470 N 1.10 -0.59 -0.06 3.45 0.00 -1.39 -1.43 119.26 120.34 3iaq h ALA 470 Ca 0.20 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3iaq h ALA 470 Cb 0.16 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3iaq h ALA 470 CO -0.02 -0.87 -0.44 -0.07 0.00 0.00 0.00 179.25 177.85 3iaq h LEU 471 N -0.59 0.15 -0.12 0.00 3.38 -1.19 -0.80 115.31 116.14 3iaq h LEU 471 Ca -0.00 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3iaq h LEU 471 Cb 0.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3iaq h LEU 471 CO -0.08 0.57 -0.13 0.22 0.09 0.00 0.00 178.44 179.11 3iaq h TYR 472 N 0.12 -0.33 -0.36 1.13 3.20 -0.16 -2.45 116.97 118.12 3iaq h TYR 472 Ca 0.01 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 3iaq h TYR 472 Cb 0.82 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 3iaq h TYR 472 CO 0.01 -0.20 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.02 3iaq h ARG 473 N -0.16 0.71 -0.30 1.82 9.65 -0.65 -2.49 114.38 122.97 3iaq h ARG 473 Ca 0.09 -0.28 0.06 0.00 -1.10 0.00 0.00 59.98 58.75 3iaq h ARG 473 Cb 0.29 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 3iaq h ARG 473 CO -0.22 0.87 -0.07 2.35 2.80 0.00 0.00 179.97 185.70 3iaq h TRP 474 N 0.63 -0.16 -0.27 2.20 7.01 -0.97 0.24 115.95 124.62 3iaq h TRP 474 Ca 0.09 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3iaq h TRP 474 Cb 0.71 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 3iaq h TRP 474 CO 0.03 -0.13 0.15 0.82 -2.79 0.00 0.00 178.44 176.53 3iaq h ILE 475 N 0.00 1.12 0.00 2.65 2.04 -1.26 0.09 117.51 122.16 3iaq h ILE 475 Ca 0.14 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3iaq h ILE 475 Cb 0.22 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3iaq h ILE 475 CO -0.30 0.12 -0.01 0.11 0.00 0.00 0.00 178.15 178.07 3iaq h LYS 476 N 0.33 0.00 0.06 2.37 1.79 -1.01 0.47 116.57 120.57 3iaq h LYS 476 Ca 0.10 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.28 3iaq h LYS 476 Cb 0.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3iaq h LYS 476 CO -0.02 0.01 -1.47 1.03 -1.08 0.00 0.00 179.45 177.92 3iaq h SER 477 N 0.00 0.19 0.08 0.86 0.87 -0.33 -3.35 113.55 111.87 3iaq h SER 477 Ca -0.00 -0.28 -0.29 0.00 -1.23 0.00 0.00 61.79 59.99 3iaq h SER 477 Cb 0.03 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3iaq h SER 477 CO 0.00 1.23 -1.58 0.58 -0.53 0.00 0.00 176.83 176.54 3iaq h VAL 478 N 0.03 0.83 -2.89 2.23 2.07 -0.26 -3.44 116.25 114.83 3iaq h VAL 478 Ca -0.21 -2.30 -0.61 0.00 0.82 0.00 0.00 66.70 64.41 3iaq h VAL 478 Cb 1.96 2.46 -0.40 0.00 -1.52 0.00 0.00 31.29 33.79 3iaq h VAL 478 CO 0.13 0.64 -0.74 -0.62 0.02 0.00 0.00 177.57 176.99 3iaq s ASP 479 N -6.97 3.49 0.00 0.57 2.15 0.16 -4.95 116.67 111.12 3iaq s ASP 479 Ca -0.24 -3.06 0.09 0.00 0.43 0.00 0.00 52.55 49.77 3iaq s ASP 479 Cb 0.06 -1.08 0.48 0.00 -0.30 0.00 0.00 42.92 42.08 3iaq s ASP 479 CO 0.70 -0.20 1.15 -2.65 -0.17 0.00 0.00 175.17 174.01 3iaq n PRO 480 N 2.96 0.16 0.14 4.34 -0.02 -1.26 -3.38 135.00 137.94 3iaq n PRO 480 Ca 0.16 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 3iaq n PRO 480 Cb 0.38 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.72 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 -3.72 2.55 4.64 -1.92 -3.45 113.55 111.65 3iaq h SER 481 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 3iaq h SER 481 Cb 0.08 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.85 3iaq h SER 481 CO 0.00 0.00 -0.78 -0.13 -0.87 0.00 0.00 176.83 175.05 3iaq s ARG 482 N -3.16 0.88 0.71 4.77 0.52 -1.22 -4.08 118.95 117.37 3iaq s ARG 482 Ca 0.09 -0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 54.90 3iaq s ARG 482 Cb 0.10 -0.84 0.02 0.00 0.52 0.00 0.00 34.95 34.76 3iaq s ARG 482 CO 0.60 0.06 1.24 -2.14 0.02 0.00 0.00 175.30 175.08 3iaq s PRO 483 N 0.35 2.24 -0.15 3.54 0.02 -1.25 -4.77 135.00 134.98 3iaq s PRO 483 Ca -0.05 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 3iaq s PRO 483 Cb -0.10 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3iaq s PRO 483 CO 0.00 -1.79 -0.10 0.08 -0.33 0.00 0.00 177.00 174.87 3iaq s VAL 484 N -1.78 3.24 0.12 3.83 1.01 -1.26 -1.28 120.40 124.29 3iaq s VAL 484 Ca 0.77 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3iaq s VAL 484 Cb -0.32 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3iaq s VAL 484 CO 0.43 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.83 3iaq s GLN 485 N 0.56 1.17 -0.28 2.72 -2.07 0.21 0.08 119.66 122.05 3iaq s GLN 485 Ca -0.07 -1.23 -0.19 0.00 -1.82 0.00 0.00 55.36 52.05 3iaq s GLN 485 Cb -0.15 -1.39 0.08 0.00 -1.09 0.00 0.00 33.01 30.46 3iaq s GLN 485 CO 0.03 0.31 0.73 -0.47 -1.32 0.00 0.00 175.29 174.57 3iaq s TYR 486 N -1.39 -0.93 -0.01 9.60 5.04 -1.26 -2.55 117.35 125.86 3iaq s TYR 486 Ca 0.09 1.98 -0.00 0.00 -2.44 0.00 0.00 57.07 56.70 3iaq s TYR 486 Cb -0.09 0.49 -0.26 0.00 0.35 0.00 0.00 41.96 42.45 3iaq s TYR 486 CO 0.05 -0.46 0.81 1.49 -1.34 0.00 0.00 175.55 176.10 3iaq h GLU 487 N 6.20 0.19 -6.72 4.97 4.22 -1.85 -3.43 114.58 118.16 3iaq h GLU 487 Ca -0.30 -0.33 -0.57 0.00 0.08 0.00 0.00 59.36 58.25 3iaq h GLU 487 Cb 1.20 0.12 0.18 0.00 0.50 0.00 0.00 28.75 30.75 3iaq h GLU 487 CO 0.12 1.02 -0.18 0.41 -2.18 0.00 0.00 179.01 178.20 3iaq n GLY 488 N 1.66 -1.04 2.17 1.92 0.00 -1.26 0.43 105.19 109.07 3iaq n GLY 488 Ca -0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 1.49 0.68 0.00 -0.02 0.00 -1.22 -3.88 105.19 102.25 3iaq n GLY 489 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.28 1.08 3.74 -0.02 0.00 -1.23 -4.75 105.19 101.72 3iaq n GLY 490 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.51 4.61 0.00 0.17 -4.70 120.51 118.08 3iaq n ALA 491 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3iaq n ALA 491 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 0.00 0.96 -3.05 0.00 5.75 -1.26 -2.39 116.55 116.57 3iaq n ASP 492 Ca 0.00 -2.00 -0.15 0.00 -0.01 0.00 0.00 54.79 52.63 3iaq n ASP 492 Cb 0.00 -0.29 0.13 0.00 -1.03 0.00 0.00 41.12 39.93 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 0.36 0.00 1.88 2.12 -2.24 -1.26 -4.92 114.28 110.22 3iaq n THR 493 Ca 0.05 -0.21 0.16 0.00 -2.27 0.00 0.00 64.05 61.78 3iaq n THR 493 Cb 1.10 -1.02 0.88 0.00 -2.10 0.00 0.00 70.33 69.18 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 -3.81 0.00 -0.81 4.28 -2.24 -1.26 -3.50 114.28 106.94 3iaq n THR 494 Ca 0.08 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 3iaq n THR 494 Cb 0.30 -0.37 0.35 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.89 3.37 -3.39 6.98 0.00 -1.26 -4.95 120.51 120.38 3iaq n ALA 495 Ca 0.22 -1.89 -0.14 0.00 0.00 0.00 0.00 53.44 51.64 3iaq n ALA 495 Cb 0.15 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.43 -0.03 -0.41 0.00 -1.32 -1.23 -4.15 115.64 106.06 3iaq s THR 496 Ca 0.49 0.12 0.23 0.00 -1.21 0.00 0.00 61.69 61.33 3iaq s THR 496 Cb 0.36 -0.08 0.20 0.00 -1.51 0.00 0.00 72.50 71.47 3iaq s THR 496 CO 0.17 0.05 1.41 0.44 -2.21 0.00 0.00 174.62 174.48 3iaq h ASP 497 N 6.78 0.00 -3.51 8.08 3.32 -0.70 -3.45 116.42 126.93 3iaq h ASP 497 Ca -0.36 -0.02 -0.57 0.00 0.02 0.00 0.00 57.03 56.10 3iaq h ASP 497 Cb 1.16 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.38 3iaq h ASP 497 CO 0.48 0.01 -0.84 -0.63 -1.72 0.00 0.00 179.24 176.54 3iaq s ILE 498 N -3.25 1.45 -0.23 0.35 1.01 -1.26 -4.48 121.20 114.80 3iaq s ILE 498 Ca 0.05 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 3iaq s ILE 498 Cb 0.08 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 3iaq s ILE 498 CO 0.71 0.42 1.67 -0.63 0.00 0.00 0.00 174.94 177.11 3iaq s ILE 499 N 0.43 3.62 -0.48 2.92 1.01 -0.25 -4.64 121.20 123.81 3iaq s ILE 499 Ca -0.13 0.69 0.08 0.00 0.00 0.00 0.00 60.65 61.29 3iaq s ILE 499 Cb -0.15 -3.66 0.33 0.00 0.01 0.00 0.00 42.46 38.99 3iaq s ILE 499 CO 0.05 -0.30 0.80 0.00 0.00 0.00 0.00 174.94 175.49 3iaq s PRO 501 N -2.72 2.88 -0.24 0.00 0.04 -1.26 -3.72 135.00 129.98 3iaq s PRO 501 Ca 0.43 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 3iaq s PRO 501 Cb 0.29 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 3iaq s PRO 501 CO -0.10 -1.24 0.14 0.00 0.04 0.00 0.00 177.00 175.84 3iaq s MET 502 N -3.62 3.94 -1.25 4.56 0.23 -1.26 -2.51 119.30 119.39 3iaq s MET 502 Ca 0.73 -0.33 0.00 0.00 -1.03 0.00 0.00 55.69 55.06 3iaq s MET 502 Cb -0.26 -3.49 0.00 0.00 -1.53 0.00 0.00 34.83 29.55 3iaq s MET 502 CO 0.36 -0.02 0.00 0.66 -2.03 0.00 0.00 175.02 173.98 3iaq n TYR 503 N 4.52 -0.61 -2.38 3.16 4.01 0.56 -4.98 117.16 121.44 3iaq n TYR 503 Ca -0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 3iaq n TYR 503 Cb 0.52 -2.99 -0.03 0.00 -0.31 0.00 0.00 39.34 36.53 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 -2.69 3.45 0.73 -0.72 0.00 -1.26 -4.85 121.76 116.41 3iaq s ALA 504 Ca 0.00 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3iaq s ALA 504 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3iaq s ALA 504 CO 0.00 -0.57 1.10 1.03 0.00 0.00 0.00 175.76 177.32 3iaq s ARG 505 N 1.46 2.65 -0.05 0.00 0.52 -1.26 -4.76 118.95 117.51 3iaq s ARG 505 Ca 0.59 0.49 -0.20 0.00 -0.52 0.00 0.00 55.73 56.09 3iaq s ARG 505 Cb -0.29 -1.99 -0.15 0.00 0.52 0.00 0.00 34.95 33.04 3iaq s ARG 505 CO 0.27 -1.19 0.81 0.28 0.02 0.00 0.00 175.30 175.49 3iaq h VAL 506 N -0.77 0.75 0.00 3.52 2.07 -1.94 -2.38 116.25 117.49 3iaq h VAL 506 Ca -0.45 -1.10 -0.29 0.00 0.82 0.00 0.00 66.70 65.68 3iaq h VAL 506 Cb 1.26 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3iaq h VAL 506 CO 0.63 0.20 -2.09 0.47 0.02 0.00 0.00 177.57 176.80 3iaq n ASP 507 N -4.93 1.86 -4.69 0.57 8.00 -1.26 -3.70 116.55 112.40 3iaq n ASP 507 Ca -0.07 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 3iaq n ASP 507 Cb 0.25 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.38 4.46 0.19 -1.24 2.12 -1.26 -4.63 118.70 115.96 3iaq s GLU 508 Ca -0.17 1.40 -0.29 0.00 0.36 0.00 0.00 54.97 56.27 3iaq s GLU 508 Cb 0.06 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 3iaq s GLU 508 CO 0.54 -0.23 0.90 -0.51 -0.54 0.00 0.00 175.26 175.41 3iaq s ASP 509 N 1.07 7.54 -0.71 -1.70 1.01 -1.26 -3.52 116.67 119.10 3iaq s ASP 509 Ca 0.50 1.83 0.03 0.00 0.71 0.00 0.00 52.55 55.62 3iaq s ASP 509 Cb -0.19 -2.57 0.17 0.00 1.01 0.00 0.00 42.92 41.34 3iaq s ASP 509 CO 0.21 0.13 0.52 -1.10 0.21 0.00 0.00 175.17 175.14 3iaq s GLN 510 N -0.94 2.56 -1.37 8.23 -0.21 0.06 -4.94 119.66 123.05 3iaq s GLN 510 Ca 0.41 -3.23 -0.08 0.00 0.02 0.00 0.00 55.36 52.48 3iaq s GLN 510 Cb -0.25 -3.52 -0.08 0.00 1.00 0.00 0.00 33.01 30.16 3iaq s GLN 510 CO 0.30 -1.26 2.69 -0.35 -2.12 0.00 0.00 175.29 174.55 3iaq n PRO 511 N 2.22 3.14 -1.66 2.91 -0.04 -1.26 -1.48 135.00 138.84 3iaq n PRO 511 Ca 0.18 -1.93 -0.38 0.00 -0.04 0.00 0.00 63.50 61.32 3iaq n PRO 511 Cb 0.35 -2.67 0.05 0.00 -0.04 0.00 0.00 33.50 31.19 3iaq n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iaq n PHE 512 N 3.77 1.28 -1.95 0.54 3.72 -1.26 -4.90 117.46 118.67 3iaq n PHE 512 Ca 0.67 0.44 -0.41 0.00 -0.05 0.00 0.00 57.45 58.10 3iaq n PHE 512 Cb 0.20 -2.20 -0.02 0.00 -0.94 0.00 0.00 39.48 36.52 3iaq n PHE 512 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3iaq s PRO 513 N -2.84 4.23 0.00 -1.08 0.04 -1.26 -3.14 135.00 130.94 3iaq s PRO 513 Ca 0.76 2.37 0.00 0.00 0.04 0.00 0.00 61.00 64.17 3iaq s PRO 513 Cb -0.42 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3iaq s PRO 513 CO 0.47 -0.47 0.00 0.00 0.04 0.00 0.00 177.00 177.04 3iaq n ALA 514 N 2.27 0.00 -3.20 8.56 0.00 -1.26 -4.56 120.51 122.32 3iaq n ALA 514 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 3iaq n ALA 514 Cb 0.40 0.00 -0.06 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 1.74 -1.87 0.00 0.24 -1.25 -4.88 118.33 112.30 3iaq n VAL 515 Ca 0.00 -5.05 -0.33 0.00 -2.04 0.00 0.00 64.34 56.92 3iaq n VAL 515 Cb 0.00 -1.62 0.03 0.00 -1.47 0.00 0.00 33.84 30.78 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 -2.56 2.97 -0.56 7.34 0.04 -1.19 -4.65 135.00 136.39 3iaq s PRO 516 Ca 0.42 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 3iaq s PRO 516 Cb 0.22 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.93 3iaq s PRO 516 CO -0.08 -1.12 0.40 0.15 0.04 0.00 0.00 177.00 176.40 3iaq s LYS 517 N -4.01 2.54 0.52 4.56 1.02 -0.55 -4.88 119.74 118.94 3iaq s LYS 517 Ca 0.67 -2.18 -0.19 0.00 0.02 0.00 0.00 55.97 54.29 3iaq s LYS 517 Cb -0.20 -3.83 -0.07 0.00 -0.52 0.00 0.00 37.83 33.21 3iaq s LYS 517 CO 0.39 -1.17 1.04 -1.58 -0.92 0.00 0.00 175.35 173.11 3iaq s TRP 518 N 0.57 3.02 -0.31 3.18 0.52 -1.26 -0.77 118.94 123.89 3iaq s TRP 518 Ca 0.12 1.55 -0.43 0.00 0.02 0.00 0.00 56.10 57.37 3iaq s TRP 518 Cb -0.21 -3.03 -0.18 0.00 -1.15 0.00 0.00 33.47 28.90 3iaq s TRP 518 CO -0.04 -0.89 1.57 0.45 0.02 0.00 0.00 176.95 178.06 3iaq n SER 519 N -1.33 1.57 -0.25 2.95 2.88 -1.23 -4.42 113.62 113.79 3iaq n SER 519 Ca 0.09 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.95 3iaq n SER 519 Cb 0.53 -1.01 0.49 0.00 -0.75 0.00 0.00 64.21 63.47 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 4.72 0.69 -0.61 2.46 3.07 -1.50 0.42 117.51 126.76 3iaq h ILE 520 Ca -0.46 -0.15 -0.09 0.00 1.55 0.00 0.00 64.86 65.71 3iaq h ILE 520 Cb 1.35 0.21 -0.02 0.00 -0.27 0.00 0.00 36.82 38.09 3iaq h ILE 520 CO 0.92 0.08 0.03 0.11 -1.05 0.00 0.00 178.15 178.24 3iaq h LYS 521 N 0.44 1.05 -0.25 0.16 1.57 -1.85 -2.93 116.57 114.75 3iaq h LYS 521 Ca 0.48 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.76 3iaq h LYS 521 Cb 1.13 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3iaq h LYS 521 CO -0.19 1.01 -0.55 -0.22 -0.57 0.00 0.00 179.45 178.93 3iaq h LYS 522 N 0.95 0.77 -0.79 3.15 3.64 -1.02 -3.33 116.57 119.94 3iaq h LYS 522 Ca 0.18 -0.49 0.08 0.00 -1.27 0.00 0.00 60.65 59.15 3iaq h LYS 522 Cb 0.52 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 3iaq h LYS 522 CO 0.02 1.12 0.45 2.35 -2.27 0.00 0.00 179.45 181.12 3iaq h TRP 523 N 0.59 0.83 -0.77 1.91 2.91 -0.13 -2.55 115.95 118.74 3iaq h TRP 523 Ca 0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3iaq h TRP 523 Cb 1.14 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.50 3iaq h TRP 523 CO 0.06 0.36 0.49 -0.07 -1.03 0.00 0.00 178.44 178.25 3iaq h LEU 524 N 0.78 0.89 -3.06 0.65 3.38 -1.65 -3.03 115.31 113.28 3iaq h LEU 524 Ca 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3iaq h LEU 524 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3iaq h LEU 524 CO -0.23 0.66 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 3iaq n SER 525 N -4.41 4.46 -4.70 -0.43 3.41 -0.97 -4.39 113.62 106.59 3iaq n SER 525 Ca 0.08 -2.36 -0.43 0.00 -0.26 0.00 0.00 58.87 55.90 3iaq n SER 525 Cb 0.04 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 63.44 3iaq n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3iaq n LEU 526 N 1.11 3.65 -4.27 1.04 4.77 -1.14 -4.76 117.00 117.39 3iaq n LEU 526 Ca 0.24 1.19 -0.61 0.00 -0.03 0.00 0.00 56.01 56.81 3iaq n LEU 526 Cb 0.81 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 3iaq n LEU 526 CO 0.21 -0.37 1.20 -2.65 -1.33 0.00 0.00 177.39 174.44 3iaq n PRO 527 N 0.93 0.00 0.00 3.23 -0.02 -1.26 -0.29 135.00 137.59 3iaq n PRO 527 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3iaq n PRO 527 Cb 0.36 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 4.51 3.24 3.73 -1.23 0.00 -1.26 -5.03 105.19 109.14 3iaq n GLY 528 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.53 4.46 0.00 1.61 2.56 0.61 -4.91 118.70 122.50 3iaq s GLU 529 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 54.97 56.83 3iaq s GLU 529 Cb 0.00 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.86 3iaq s GLU 529 CO 0.00 -0.16 0.00 0.25 -0.56 0.00 0.00 175.26 174.79 3iaq n THR 530 N 3.03 0.00 -1.58 -1.70 -2.24 -1.26 -4.69 114.28 105.84 3iaq n THR 530 Ca 0.06 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 3iaq n THR 530 Cb 0.45 0.49 0.07 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.77 2.50 0.70 -0.78 0.52 -1.26 -4.24 118.95 115.61 3iaq s ARG 531 Ca 0.00 1.47 -0.14 0.00 -0.52 0.00 0.00 55.73 56.54 3iaq s ARG 531 Cb 0.00 -1.91 0.02 0.00 0.52 0.00 0.00 34.95 33.58 3iaq s ARG 531 CO 0.00 -1.50 1.11 -1.25 0.02 0.00 0.00 175.30 173.68 3iaq s PRO 532 N -4.14 2.59 -0.15 3.54 0.04 -1.04 -4.80 135.00 131.03 3iaq s PRO 532 Ca 0.68 1.37 0.01 0.00 0.04 0.00 0.00 61.00 63.10 3iaq s PRO 532 Cb -0.22 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.41 3iaq s PRO 532 CO 0.44 -1.41 -0.16 -1.17 0.04 0.00 0.00 177.00 174.74 3iaq s LEU 533 N -5.17 1.82 -0.14 -3.56 0.20 -0.27 -1.09 118.68 110.47 3iaq s LEU 533 Ca 0.66 -0.52 -0.04 0.00 0.69 0.00 0.00 54.13 54.92 3iaq s LEU 533 Cb -0.20 -1.26 0.05 0.00 -0.43 0.00 0.00 46.19 44.35 3iaq s LEU 533 CO 0.45 -0.02 0.06 -0.63 -0.29 0.00 0.00 176.35 175.92 3iaq s ILE 534 N 1.33 0.11 -0.00 6.68 1.01 -0.34 -1.40 121.20 128.58 3iaq s ILE 534 Ca 0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 3iaq s ILE 534 Cb -0.13 -0.61 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 3iaq s ILE 534 CO -0.09 -0.13 1.62 -0.76 0.00 0.00 0.00 174.94 175.57 3iaq s LEU 535 N 2.06 4.34 0.52 2.97 1.02 -1.01 -4.12 118.68 124.46 3iaq s LEU 535 Ca 0.02 2.31 0.30 0.00 0.02 0.00 0.00 54.13 56.78 3iaq s LEU 535 Cb -0.15 -3.55 1.26 0.00 0.02 0.00 0.00 46.19 43.77 3iaq s LEU 535 CO -0.07 -0.88 1.95 0.00 0.02 0.00 0.00 176.35 177.37 3iaq s GLU 537 N -3.71 0.36 0.25 0.00 2.02 -1.22 -4.35 118.70 112.03 3iaq s GLU 537 Ca 0.01 0.71 -0.21 0.00 0.02 0.00 0.00 54.97 55.50 3iaq s GLU 537 Cb 0.10 -0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.33 3iaq s GLU 537 CO 0.57 -0.15 0.66 1.52 0.02 0.00 0.00 175.26 177.89 3iaq s TYR 538 N 1.26 -0.22 -1.06 1.61 1.13 -0.81 -0.32 117.35 118.94 3iaq s TYR 538 Ca -0.09 -0.18 -0.14 0.00 -1.41 0.00 0.00 57.07 55.26 3iaq s TYR 538 Cb -0.08 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 3iaq s TYR 538 CO -0.11 -1.12 0.81 0.00 -2.51 0.00 0.00 175.55 172.63 3iaq n ALA 539 N -0.43 -2.55 -1.51 9.51 0.00 -1.26 -1.03 120.51 123.25 3iaq n ALA 539 Ca -0.07 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3iaq n ALA 539 Cb 0.61 -4.13 -0.07 0.00 0.00 0.00 0.00 19.45 15.87 3iaq n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3iaq n HIS 540 N -3.60 1.38 -1.12 0.00 -0.00 -0.68 -4.08 115.22 107.11 3iaq n HIS 540 Ca -0.09 0.19 -0.17 0.00 0.46 0.00 0.00 57.72 58.11 3iaq n HIS 540 Cb 0.59 -2.57 -0.07 0.00 -0.12 0.00 0.00 29.99 27.83 3iaq n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3iaq n ALA 541 N 12.50 5.94 -2.58 1.57 0.00 0.79 -4.33 120.51 134.39 3iaq n ALA 541 Ca 0.43 -2.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.35 3iaq n ALA 541 Cb 0.34 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.67 3.73 5.49 0.00 0.00 -1.26 -3.38 119.30 123.20 3iaq s MET 542 Ca 0.51 0.30 0.00 0.00 0.00 0.00 0.00 55.69 56.49 3iaq s MET 542 Cb 0.30 -3.82 0.00 0.00 0.00 0.00 0.00 34.83 31.31 3iaq s MET 542 CO -0.09 -0.88 0.00 0.41 0.00 0.00 0.00 175.02 174.46 3iaq n GLY 543 N 4.56 2.33 3.56 2.11 0.00 -1.26 -4.01 105.19 112.48 3iaq n GLY 543 Ca 0.03 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 5.51 0.00 1.61 3.84 -1.26 -4.87 114.94 115.78 3iaq s ASN 544 Ca 0.00 -0.85 0.00 0.00 0.21 0.00 0.00 52.86 52.22 3iaq s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3iaq s ASN 544 CO 0.00 -2.40 0.00 -0.24 -2.79 0.00 0.00 177.10 171.67 3iaq n SER 545 N 12.55 0.09 -0.37 -4.21 2.88 -1.26 -4.79 113.62 118.51 3iaq n SER 545 Ca 0.37 -0.70 -0.04 0.00 -1.33 0.00 0.00 58.87 57.17 3iaq n SER 545 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.50 -4.71 2.46 7.94 -1.18 -4.78 117.00 116.23 3iaq n LEU 546 Ca 0.00 0.09 -0.42 0.00 -1.11 0.00 0.00 56.01 54.57 3iaq n LEU 546 Cb 0.00 -1.01 -0.03 0.00 0.53 0.00 0.00 43.42 42.91 3iaq n LEU 546 CO 0.00 -0.20 1.12 -0.83 -1.11 0.00 0.00 177.39 176.37 3iaq s GLY 547 N -2.92 1.87 0.00 -3.96 0.00 -0.22 -2.88 107.32 99.21 3iaq s GLY 547 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.82 3iaq s GLY 547 CO 0.00 2.46 0.00 0.61 0.00 0.00 0.00 173.10 176.17 3iaq n GLY 548 N 3.60 0.54 0.28 0.20 0.00 0.17 -3.91 105.19 106.08 3iaq n GLY 548 Ca 0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 0.67 0.00 1.61 3.57 -1.71 -2.50 116.94 118.58 3iaq h PHE 549 Ca 0.00 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 3iaq h PHE 549 Cb 0.00 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 3iaq h PHE 549 CO 0.00 0.61 -0.16 0.00 -2.23 0.00 0.00 178.31 176.53 3iaq h ALA 550 N 1.44 1.63 -0.51 2.41 0.00 -1.86 -2.27 119.26 120.09 3iaq h ALA 550 Ca 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3iaq h ALA 550 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3iaq h ALA 550 CO 0.01 0.20 0.17 -0.22 0.00 0.00 0.00 179.25 179.40 3iaq h LYS 551 N 0.00 0.75 -0.00 0.00 3.64 -1.85 -2.00 116.57 117.11 3iaq h LYS 551 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3iaq h LYS 551 Cb 0.30 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3iaq h LYS 551 CO 0.02 0.65 -0.00 1.88 -2.27 0.00 0.00 179.45 179.73 3iaq h TYR 552 N 0.74 0.01 0.00 1.91 0.05 -1.50 -3.01 116.97 115.17 3iaq h TYR 552 Ca 0.17 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 3iaq h TYR 552 Cb 0.21 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3iaq h TYR 552 CO 0.01 0.34 -0.20 -1.49 -1.05 0.00 0.00 178.16 175.77 3iaq h TRP 553 N -0.32 0.00 -0.30 4.88 4.06 -1.48 0.45 115.95 123.24 3iaq h TRP 553 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3iaq h TRP 553 Cb 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 3iaq h TRP 553 CO 0.04 0.20 0.01 0.37 -3.56 0.00 0.00 178.44 175.50 3iaq h GLN 554 N 0.00 0.52 -0.46 0.49 -0.00 -1.43 -2.78 115.11 111.46 3iaq h GLN 554 Ca -0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 58.65 58.40 3iaq h GLN 554 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.15 3iaq h GLN 554 CO 0.03 0.66 -0.05 0.00 0.00 0.00 0.00 178.83 179.47 3iaq h ALA 555 N 0.85 0.62 -0.56 3.38 0.00 -1.20 -2.26 119.26 120.09 3iaq h ALA 555 Ca 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3iaq h ALA 555 Cb 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3iaq h ALA 555 CO 0.01 0.46 0.30 0.74 0.00 0.00 0.00 179.25 180.77 3iaq h PHE 556 N 0.69 0.55 -0.18 0.00 0.04 -0.95 -0.34 116.94 116.75 3iaq h PHE 556 Ca 0.12 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.71 3iaq h PHE 556 Cb 0.57 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3iaq h PHE 556 CO 0.04 0.27 -0.70 0.00 -0.60 0.00 0.00 178.31 177.33 3iaq h ARG 557 N 0.58 0.73 -0.07 1.51 3.08 -1.44 -3.24 114.38 115.53 3iaq h ARG 557 Ca 0.24 -0.55 -0.15 0.00 0.07 0.00 0.00 59.98 59.59 3iaq h ARG 557 Cb 0.13 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3iaq h ARG 557 CO -0.16 1.17 -0.64 0.37 -1.07 0.00 0.00 179.97 179.65 3iaq h GLN 558 N 0.52 0.26 -4.77 0.04 4.15 -1.22 -3.42 115.11 110.67 3iaq h GLN 558 Ca -0.03 -0.19 -0.67 0.00 0.77 0.00 0.00 58.65 58.53 3iaq h GLN 558 Cb 1.31 0.03 -0.22 0.00 0.21 0.00 0.00 27.48 28.81 3iaq h GLN 558 CO 0.14 0.81 -0.55 0.71 -1.93 0.00 0.00 178.83 178.01 3iaq s TYR 559 N -3.70 3.18 0.20 3.99 1.51 -0.15 -4.99 117.35 117.39 3iaq s TYR 559 Ca -0.04 -0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 55.36 3iaq s TYR 559 Cb 0.12 -2.36 0.26 0.00 -0.11 0.00 0.00 41.96 39.86 3iaq s TYR 559 CO 0.81 -0.45 1.69 -1.35 -1.11 0.00 0.00 175.55 175.14 3iaq h PRO 560 N 8.36 0.19 -0.00 -1.71 0.11 -1.82 -2.82 132.00 134.31 3iaq h PRO 560 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3iaq h PRO 560 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iaq h PRO 560 CO 0.62 0.13 -0.13 0.54 -0.21 0.00 0.00 178.00 178.95 3iaq n ARG 561 N -5.17 0.69 -2.92 1.05 1.74 -1.26 -4.40 116.66 106.39 3iaq n ARG 561 Ca 0.08 -0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.47 3iaq n ARG 561 Cb 0.31 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.49 4.31 -0.33 0.55 1.43 -1.06 -1.11 118.68 119.98 3iaq s LEU 562 Ca 0.28 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3iaq s LEU 562 Cb 0.20 -2.75 0.52 0.00 0.03 0.00 0.00 46.19 44.19 3iaq s LEU 562 CO 0.48 -1.13 1.53 0.00 0.23 0.00 0.00 176.35 177.46 3iaq n GLN 563 N 7.12 2.03 0.00 1.70 6.02 -0.49 -4.64 117.38 129.12 3iaq n GLN 563 Ca -0.00 -3.25 0.00 0.00 -0.01 0.00 0.00 57.00 53.74 3iaq n GLN 563 Cb 0.47 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.10 0.01 0.00 1.08 0.00 -1.26 -0.60 105.19 103.33 3iaq n GLY 564 Ca 0.39 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.45 3.28 -0.02 0.00 -1.06 -2.39 105.19 104.55 3iaq n GLY 565 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 3.11 0.39 1.61 0.40 0.68 -2.00 117.98 120.17 3iaq s PHE 566 Ca 0.00 -1.21 -0.27 0.00 -0.60 0.00 0.00 56.93 54.84 3iaq s PHE 566 Cb 0.00 -2.17 -0.10 0.00 0.51 0.00 0.00 43.02 41.26 3iaq s PHE 566 CO 0.00 -0.64 1.40 0.08 0.70 0.00 0.00 175.22 176.76 3iaq s VAL 567 N 1.43 2.32 -0.35 -0.44 1.01 -0.67 -1.93 120.40 121.76 3iaq s VAL 567 Ca 0.02 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 3iaq s VAL 567 Cb -0.17 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.05 3iaq s VAL 567 CO -0.00 0.06 0.16 0.86 0.00 0.00 0.00 175.10 176.18 3iaq s TRP 568 N -1.17 3.23 0.00 5.22 -0.11 -0.19 -0.74 118.94 125.18 3iaq s TRP 568 Ca 0.54 -1.07 0.00 0.00 1.22 0.00 0.00 56.10 56.80 3iaq s TRP 568 Cb -0.43 -2.37 0.00 0.00 -1.50 0.00 0.00 33.47 29.17 3iaq s TRP 568 CO 0.56 -0.65 0.00 -0.40 -4.62 0.00 0.00 176.95 171.84 3iaq n ASP 569 N 4.93 0.00 0.21 5.86 5.75 0.41 -0.15 116.55 133.56 3iaq n ASP 569 Ca -0.12 -0.69 -0.11 0.00 -0.01 0.00 0.00 54.79 53.86 3iaq n ASP 569 Cb 0.46 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.69 -0.55 -3.99 2.11 2.91 -1.26 -1.65 115.95 114.22 3iaq h TRP 570 Ca 0.00 -0.01 -0.56 0.00 1.13 0.00 0.00 58.89 59.45 3iaq h TRP 570 Cb 0.00 0.18 -0.31 0.00 -0.51 0.00 0.00 29.16 28.52 3iaq h TRP 570 CO 0.00 -0.27 -0.84 0.54 -1.03 0.00 0.00 178.44 176.84 3iaq s VAL 571 N -3.80 1.41 0.31 2.65 0.11 -1.26 -0.84 120.40 118.97 3iaq s VAL 571 Ca -0.11 -0.72 -0.28 0.00 -2.93 0.00 0.00 61.98 57.94 3iaq s VAL 571 Cb 0.01 -1.20 -0.13 0.00 -1.53 0.00 0.00 36.38 33.53 3iaq s VAL 571 CO 0.35 0.40 1.14 0.47 -3.33 0.00 0.00 175.10 174.13 3iaq n ASP 572 N 3.04 1.95 -3.65 3.54 8.00 -0.80 -4.35 116.55 124.29 3iaq n ASP 572 Ca -0.17 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.11 3iaq n ASP 572 Cb 0.53 -1.37 0.02 0.00 -0.02 0.00 0.00 41.12 40.28 3iaq n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iaq n GLN 573 N 0.74 5.32 -3.91 -1.24 6.02 -0.88 -4.22 117.38 119.21 3iaq n GLN 573 Ca 0.08 -4.56 -0.35 0.00 -0.01 0.00 0.00 57.00 52.16 3iaq n GLN 573 Cb 0.33 -2.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.05 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 -1.21 6.32 0.26 1.08 1.04 -1.26 -4.69 113.70 115.24 3iaq s SER 574 Ca 0.40 0.38 0.08 0.00 0.48 0.00 0.00 55.95 57.29 3iaq s SER 574 Cb 0.18 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 3iaq s SER 574 CO -0.11 0.32 0.13 -0.76 0.98 0.00 0.00 173.24 173.81 3iaq s LEU 575 N -1.54 3.58 -0.12 2.42 1.43 -0.64 -4.30 118.68 119.51 3iaq s LEU 575 Ca 0.22 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 3iaq s LEU 575 Cb -0.12 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3iaq s LEU 575 CO 0.12 -0.05 0.67 -0.63 0.23 0.00 0.00 176.35 176.69 3iaq s ILE 576 N -2.22 5.03 0.23 -0.59 -1.09 -0.59 0.56 121.20 122.54 3iaq s ILE 576 Ca 0.33 1.33 0.11 0.00 -2.23 0.00 0.00 60.65 60.20 3iaq s ILE 576 Cb -0.07 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 3iaq s ILE 576 CO 0.23 0.19 -0.22 -0.54 -1.23 0.00 0.00 174.94 173.38 3iaq s LYS 577 N 1.28 1.56 -0.08 2.79 1.02 -0.30 -4.93 119.74 121.08 3iaq s LYS 577 Ca 0.34 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 54.75 3iaq s LYS 577 Cb -0.17 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 3iaq s LYS 577 CO 0.14 0.36 -0.18 0.71 -0.92 0.00 0.00 175.35 175.46 3iaq s TYR 578 N -2.06 2.63 0.95 3.18 1.51 -1.26 -0.35 117.35 121.95 3iaq s TYR 578 Ca 0.24 -0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 3iaq s TYR 578 Cb -0.06 -1.68 0.20 0.00 -0.11 0.00 0.00 41.96 40.31 3iaq s TYR 578 CO 0.12 -0.09 1.30 0.16 -1.11 0.00 0.00 175.55 175.92 3iaq s ASP 579 N -0.19 3.12 0.45 2.29 1.47 -0.95 -4.87 116.67 117.98 3iaq s ASP 579 Ca -0.01 0.12 0.20 0.00 1.18 0.00 0.00 52.55 54.04 3iaq s ASP 579 Cb -0.13 -0.15 1.17 0.00 -0.34 0.00 0.00 42.92 43.47 3iaq s ASP 579 CO 0.03 -2.72 1.87 1.05 0.68 0.00 0.00 175.17 176.09 3iaq h GLU 580 N -1.56 0.30 -0.00 2.11 4.11 -2.01 0.10 114.58 117.63 3iaq h GLU 580 Ca -0.43 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3iaq h GLU 580 Cb 1.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3iaq h GLU 580 CO 0.35 0.20 -0.09 0.09 0.07 0.00 0.00 179.01 179.63 3iaq n ASN 581 N -4.46 0.14 0.00 3.06 3.02 -1.26 -4.93 115.26 110.83 3iaq n ASN 581 Ca 0.18 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 3iaq n ASN 581 Cb 0.73 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 1.43 0.65 3.78 7.41 0.00 0.35 -5.07 105.19 113.74 3iaq n GLY 582 Ca 0.09 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.66 6.83 0.12 1.61 -0.87 -1.26 -4.83 114.94 113.87 3iaq s ASN 583 Ca 0.00 0.98 -0.26 0.00 -1.57 0.00 0.00 52.86 52.01 3iaq s ASN 583 Cb 0.00 -2.30 -0.07 0.00 -0.02 0.00 0.00 41.25 38.86 3iaq s ASN 583 CO 0.00 0.16 0.82 -2.16 -2.57 0.00 0.00 177.10 173.34 3iaq s PRO 584 N -0.28 4.59 0.04 -0.60 0.05 -1.26 -2.23 135.00 135.31 3iaq s PRO 584 Ca 0.27 1.20 0.02 0.00 0.05 0.00 0.00 61.00 62.54 3iaq s PRO 584 Cb -0.17 -3.32 -0.02 0.00 0.05 0.00 0.00 34.50 31.04 3iaq s PRO 584 CO 0.14 0.40 -0.07 1.67 0.05 0.00 0.00 177.00 179.18 3iaq s TRP 585 N -0.54 0.60 -0.14 0.56 1.48 0.53 -4.97 118.94 116.46 3iaq s TRP 585 Ca 0.39 -0.46 -0.29 0.00 -1.06 0.00 0.00 56.10 54.67 3iaq s TRP 585 Cb -0.22 -0.37 -0.02 0.00 -1.16 0.00 0.00 33.47 31.70 3iaq s TRP 585 CO 0.26 -0.09 1.26 -1.12 -4.06 0.00 0.00 176.95 173.21 3iaq s SER 586 N -1.43 6.95 0.11 -2.66 0.01 -1.26 -1.15 113.70 114.28 3iaq s SER 586 Ca -0.10 1.74 0.06 0.00 1.31 0.00 0.00 55.95 58.96 3iaq s SER 586 Cb -0.09 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3iaq s SER 586 CO 0.00 -0.73 -0.04 0.00 0.41 0.00 0.00 173.24 172.88 3iaq s ALA 587 N 3.24 3.15 0.00 1.44 0.00 0.19 -4.92 121.76 124.86 3iaq s ALA 587 Ca 0.56 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3iaq s ALA 587 Cb -0.23 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3iaq s ALA 587 CO 0.17 0.64 0.00 2.48 0.00 0.00 0.00 175.76 179.05 3iaq n TYR 588 N 0.51 0.00 -1.68 0.00 0.18 -1.26 -1.61 117.16 113.29 3iaq n TYR 588 Ca -0.12 0.00 -0.52 0.00 1.88 0.00 0.00 57.90 59.14 3iaq n TYR 588 Cb 0.53 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.43 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 2.15 1.02 0.00 -7.48 0.00 -0.73 -1.83 105.19 98.32 3iaq n GLY 589 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 3.91 2.79 0.00 -0.02 0.00 -1.26 -3.85 105.19 106.76 3iaq n GLY 590 Ca 0.23 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 0.41 0.00 -0.11 1.61 8.00 -0.76 -0.69 116.55 125.01 3iaq n ASP 591 Ca 0.00 -0.33 0.06 0.00 0.71 0.00 0.00 54.79 55.23 3iaq n ASP 591 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.64 0.00 -1.01 1.24 3.01 -1.26 -4.94 117.46 113.86 3iaq n PHE 592 Ca 0.01 -0.72 -0.00 0.00 1.01 0.00 0.00 57.45 57.75 3iaq n PHE 592 Cb 0.01 -0.11 -0.00 0.00 -0.01 0.00 0.00 39.48 39.36 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 -1.00 0.33 3.69 1.37 0.00 0.14 -4.87 105.19 104.84 3iaq n GLY 593 Ca 0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 6.93 -0.18 1.61 -4.77 -1.22 -5.01 116.67 112.00 3iaq s ASP 594 Ca 0.00 2.00 -0.13 0.00 -3.30 0.00 0.00 52.55 51.12 3iaq s ASP 594 Cb 0.00 -2.56 0.05 0.00 -1.09 0.00 0.00 42.92 39.32 3iaq s ASP 594 CO 0.00 -0.67 0.45 0.28 0.70 0.00 0.00 175.17 175.93 3iaq s THR 595 N 2.33 -0.01 0.75 2.11 -1.32 -1.26 -4.11 115.64 114.13 3iaq s THR 595 Ca 0.61 0.05 -0.12 0.00 -1.21 0.00 0.00 61.69 61.02 3iaq s THR 595 Cb -0.29 -0.65 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 3iaq s THR 595 CO 0.25 0.02 1.10 -2.84 -2.21 0.00 0.00 174.62 170.93 3iaq s PRO 596 N 0.93 2.36 0.18 7.08 0.02 -1.26 -5.17 135.00 139.14 3iaq s PRO 596 Ca -0.06 1.24 -0.03 0.00 0.02 0.00 0.00 61.00 62.17 3iaq s PRO 596 Cb -0.06 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 3iaq s PRO 596 CO -0.08 -1.57 0.15 0.54 -0.33 0.00 0.00 177.00 175.71 3iaq s ASN 597 N -3.17 0.17 -0.30 2.53 2.20 -1.26 -4.77 114.94 110.34 3iaq s ASN 597 Ca 0.63 -1.24 0.07 0.00 -0.94 0.00 0.00 52.86 51.37 3iaq s ASN 597 Cb -0.18 0.38 0.46 0.00 -2.00 0.00 0.00 41.25 39.90 3iaq s ASN 597 CO 0.52 -0.84 1.23 0.47 -2.94 0.00 0.00 177.10 175.54 3iaq n ASP 598 N -0.22 4.99 0.00 3.54 8.00 -1.12 -4.98 116.55 126.77 3iaq n ASP 598 Ca -0.02 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.73 3iaq n ASP 598 Cb 0.65 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.73 0.00 0.00 -1.24 1.85 -1.25 -1.93 116.66 113.36 3iaq n ARG 599 Ca 0.44 0.00 0.15 0.00 -1.00 0.00 0.00 57.85 57.44 3iaq n ARG 599 Cb 0.95 0.00 0.85 0.00 -1.05 0.00 0.00 32.46 33.21 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 0.85 0.00 2.89 0.00 -1.26 -1.77 117.38 132.09 3iaq n GLN 600 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.00 57.01 3iaq n GLN 600 Cb 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.79 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 -1.04 0.00 0.76 2.61 3.72 -0.82 -0.91 117.46 121.79 3iaq n PHE 601 Ca 0.21 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.73 3iaq n PHE 601 Cb 0.12 -0.28 0.29 0.00 -0.94 0.00 0.00 39.48 38.67 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 -3.09 2.92 -0.08 0.00 -1.94 -0.09 -2.08 119.30 114.95 3iaq s MET 603 Ca 0.09 -2.08 0.15 0.00 -1.71 0.00 0.00 55.69 52.15 3iaq s MET 603 Cb 0.15 -4.11 0.31 0.00 2.01 0.00 0.00 34.83 33.19 3iaq s MET 603 CO 0.67 -1.25 1.14 0.09 -0.01 0.00 0.00 175.02 175.67 3iaq n ASN 604 N 4.47 1.20 -4.89 3.03 5.03 -1.26 -4.07 115.26 118.78 3iaq n ASN 604 Ca -0.00 -2.70 -0.29 0.00 0.87 0.00 0.00 54.58 52.46 3iaq n ASN 604 Cb 0.42 -0.36 -0.00 0.00 -1.02 0.00 0.00 39.78 38.81 3iaq n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3iaq s GLY 605 N -2.27 1.63 0.24 7.41 0.00 -1.22 -0.44 107.32 112.68 3iaq s GLY 605 Ca 0.28 -0.31 0.24 0.00 0.00 0.00 0.00 44.72 44.93 3iaq s GLY 605 CO -0.07 -0.10 1.48 1.41 0.00 0.00 0.00 173.10 175.81 3iaq h LEU 606 N 0.23 0.00 -8.55 0.66 3.38 0.03 -3.44 115.31 107.61 3iaq h LEU 606 Ca -0.46 -0.06 -0.41 0.00 0.09 0.00 0.00 57.88 57.04 3iaq h LEU 606 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 3iaq h LEU 606 CO 0.62 0.03 -0.76 0.68 0.09 0.00 0.00 178.44 179.10 3iaq s VAL 607 N -3.19 1.26 1.00 1.22 -7.23 -0.79 -0.83 120.40 111.84 3iaq s VAL 607 Ca 0.07 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 3iaq s VAL 607 Cb 0.10 -1.41 0.19 0.00 0.56 0.00 0.00 36.38 35.82 3iaq s VAL 607 CO 0.68 -0.37 1.08 -0.36 -0.31 0.00 0.00 175.10 175.83 3iaq s PHE 608 N -1.91 1.96 0.58 2.82 0.08 0.96 -1.90 117.98 120.57 3iaq s PHE 608 Ca 0.06 1.18 0.28 0.00 0.12 0.00 0.00 56.93 58.57 3iaq s PHE 608 Cb -0.06 -3.19 1.58 0.00 -0.57 0.00 0.00 43.02 40.77 3iaq s PHE 608 CO 0.03 -2.97 2.03 0.00 -0.10 0.00 0.00 175.22 174.21 3iaq h ALA 609 N -1.96 1.97 -0.63 5.36 0.00 -1.89 0.15 119.26 122.27 3iaq h ALA 609 Ca -0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3iaq h ALA 609 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3iaq h ALA 609 CO 0.54 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.94 3iaq n ASP 610 N -3.82 3.49 -0.08 0.00 5.75 -1.26 -4.32 116.55 116.32 3iaq n ASP 610 Ca 0.04 -2.05 -0.01 0.00 -0.01 0.00 0.00 54.79 52.76 3iaq n ASP 610 Cb 0.45 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.30 -0.21 -2.33 0.11 3.00 0.53 -5.03 116.66 114.03 3iaq n ARG 611 Ca 0.21 0.27 -0.42 0.00 -0.01 0.00 0.00 57.85 57.91 3iaq n ARG 611 Cb 0.57 -3.63 -0.03 0.00 0.00 0.00 0.00 32.46 29.37 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 -1.97 3.78 0.35 0.55 2.01 -1.26 -4.78 115.64 114.33 3iaq s THR 612 Ca 0.00 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 3iaq s THR 612 Cb 0.00 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.59 3iaq s THR 612 CO 0.00 0.09 1.40 -2.84 -0.69 0.00 0.00 174.62 172.58 3iaq s PRO 613 N 1.22 4.23 0.51 4.92 0.02 -1.26 -0.03 135.00 144.61 3iaq s PRO 613 Ca 0.61 2.40 -0.17 0.00 0.02 0.00 0.00 61.00 63.86 3iaq s PRO 613 Cb -0.32 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.11 3iaq s PRO 613 CO 0.29 -0.37 0.99 -1.01 -0.33 0.00 0.00 177.00 176.57 3iaq s HIS 614 N -1.10 3.34 0.51 6.54 3.76 -0.01 -4.79 115.29 123.54 3iaq s HIS 614 Ca 0.51 1.50 0.24 0.00 -0.15 0.00 0.00 55.06 57.16 3iaq s HIS 614 Cb -0.43 -2.85 1.33 0.00 1.11 0.00 0.00 32.58 31.74 3iaq s HIS 614 CO 0.58 -0.47 1.95 -1.35 -0.85 0.00 0.00 174.74 174.61 3iaq h PRO 615 N 1.02 0.10 -0.60 8.40 0.11 -1.92 -1.57 132.00 137.54 3iaq h PRO 615 Ca -0.47 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.74 3iaq h PRO 615 Cb 1.19 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3iaq h PRO 615 CO 0.61 0.06 0.40 0.00 -0.21 0.00 0.00 178.00 178.86 3iaq h ALA 616 N 1.67 2.05 -0.96 -0.75 0.00 -1.86 -2.76 119.26 116.65 3iaq h ALA 616 Ca 0.32 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.33 3iaq h ALA 616 Cb 1.13 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3iaq h ALA 616 CO -0.03 -0.19 0.62 1.25 0.00 0.00 0.00 179.25 180.89 3iaq h LEU 617 N 0.38 0.89 -0.91 0.00 5.85 -1.46 -0.83 115.31 119.23 3iaq h LEU 617 Ca 0.28 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 3iaq h LEU 617 Cb 0.59 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3iaq h LEU 617 CO -0.07 0.51 -0.25 0.00 -0.34 0.00 0.00 178.44 178.28 3iaq h THR 618 N 0.98 1.27 -0.57 1.05 1.03 -1.67 -0.78 112.91 114.21 3iaq h THR 618 Ca 0.46 -1.28 -0.10 0.00 -0.01 0.00 0.00 66.41 65.48 3iaq h THR 618 Cb 0.42 1.33 -0.02 0.00 -1.07 0.00 0.00 68.15 68.81 3iaq h THR 618 CO -0.22 0.41 -0.03 -0.08 -0.01 0.00 0.00 175.52 175.59 3iaq h GLU 619 N 0.46 1.01 -0.00 0.00 4.57 -1.29 -1.36 114.58 117.97 3iaq h GLU 619 Ca 0.07 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3iaq h GLU 619 Cb 0.68 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3iaq h GLU 619 CO 0.05 1.01 0.00 0.00 -1.18 0.00 0.00 179.01 178.89 3iaq h ALA 620 N 1.03 0.00 -0.59 2.92 0.00 -1.03 -1.62 119.26 119.97 3iaq h ALA 620 Ca 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3iaq h ALA 620 Cb 0.58 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3iaq h ALA 620 CO 0.03 -0.46 0.12 -0.22 0.00 0.00 0.00 179.25 178.73 3iaq h LYS 621 N -0.08 0.25 -0.44 0.00 3.64 -0.93 -1.75 116.57 117.26 3iaq h LYS 621 Ca 0.00 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 3iaq h LYS 621 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3iaq h LYS 621 CO -0.00 0.16 -0.28 1.25 -2.27 0.00 0.00 179.45 178.31 3iaq h HIS 622 N 0.25 1.13 0.00 1.91 2.76 -1.13 -2.98 115.15 117.10 3iaq h HIS 622 Ca 0.31 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3iaq h HIS 622 Cb 0.45 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3iaq h HIS 622 CO -0.25 1.13 0.00 1.96 -1.30 0.00 0.00 177.93 179.47 3iaq h GLN 623 N 0.81 0.00 -0.64 5.26 1.08 -0.96 -3.15 115.11 117.52 3iaq h GLN 623 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3iaq h GLN 623 Cb 0.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 3iaq h GLN 623 CO 0.08 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 179.00 3iaq n GLN 624 N -2.58 3.28 -1.51 1.46 6.02 -0.69 -4.93 117.38 118.44 3iaq n GLN 624 Ca 0.04 -2.73 -0.41 0.00 -0.01 0.00 0.00 57.00 53.89 3iaq n GLN 624 Cb 0.39 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 29.94 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 1.19 0.78 -0.06 -1.09 6.02 -1.17 -4.88 117.38 118.17 3iaq n GLN 625 Ca 0.24 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 3iaq n GLN 625 Cb 0.76 -1.73 0.25 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.99 0.15 -4.80 1.08 3.01 -1.26 -4.84 117.46 109.80 3iaq n PHE 626 Ca 0.11 -0.07 -0.27 0.00 1.01 0.00 0.00 57.45 58.23 3iaq n PHE 626 Cb 0.42 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.85 1.80 0.29 1.38 0.08 -1.26 0.46 117.98 118.89 3iaq s PHE 627 Ca 0.33 -0.67 0.08 0.00 0.12 0.00 0.00 56.93 56.79 3iaq s PHE 627 Cb 0.21 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 3iaq s PHE 627 CO 0.31 -0.30 0.14 -0.65 -0.10 0.00 0.00 175.22 174.61 3iaq s GLN 628 N 0.47 2.55 0.02 0.44 -1.52 -0.23 -4.94 119.66 116.44 3iaq s GLN 628 Ca -0.14 -1.34 0.00 0.00 -1.95 0.00 0.00 55.36 51.93 3iaq s GLN 628 Cb -0.16 -2.32 -0.02 0.00 -0.22 0.00 0.00 33.01 30.30 3iaq s GLN 628 CO 0.05 0.26 -0.03 -0.06 -0.25 0.00 0.00 175.29 175.26 3iaq s PHE 629 N -2.30 0.28 0.04 0.91 0.40 -1.26 -1.23 117.98 114.83 3iaq s PHE 629 Ca 0.35 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 3iaq s PHE 629 Cb -0.06 -0.19 -0.03 0.00 0.51 0.00 0.00 43.02 43.25 3iaq s PHE 629 CO 0.23 -0.14 -0.06 1.03 0.70 0.00 0.00 175.22 176.99 3iaq s ARG 630 N -1.20 0.52 -0.10 0.44 0.52 -0.60 -4.98 118.95 113.55 3iaq s ARG 630 Ca -0.12 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.27 3iaq s ARG 630 Cb -0.08 -0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.30 3iaq s ARG 630 CO -0.01 -0.01 -0.18 -1.17 0.02 0.00 0.00 175.30 173.95 3iaq s LEU 631 N -1.91 1.88 -0.27 2.53 2.96 -1.26 -1.19 118.68 121.42 3iaq s LEU 631 Ca -0.07 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3iaq s LEU 631 Cb -0.06 -1.18 0.11 0.00 0.50 0.00 0.00 46.19 45.56 3iaq s LEU 631 CO -0.02 0.08 0.18 -0.55 -1.32 0.00 0.00 176.35 174.72 3iaq s SER 632 N 0.64 2.72 1.35 3.68 0.15 0.38 -4.99 113.70 117.64 3iaq s SER 632 Ca -0.13 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.53 3iaq s SER 632 Cb -0.16 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 3iaq s SER 632 CO 0.04 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3iaq n GLY 633 N 5.28 2.00 1.07 9.45 0.00 -1.26 -1.31 105.19 120.42 3iaq n GLY 633 Ca -0.05 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 3.99 2.82 -3.76 1.61 6.02 -1.26 -4.98 117.38 121.82 3iaq n GLN 634 Ca 0.00 -2.43 -0.36 0.00 -0.01 0.00 0.00 57.00 54.20 3iaq n GLN 634 Cb 0.00 -1.46 -0.11 0.00 1.02 0.00 0.00 30.24 29.69 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 -1.04 4.95 -0.29 5.09 2.01 -0.43 -1.30 115.64 124.64 3iaq s THR 635 Ca 0.39 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 3iaq s THR 635 Cb 0.20 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3iaq s THR 635 CO 0.26 0.36 0.14 -0.63 -0.69 0.00 0.00 174.62 174.05 3iaq s ILE 636 N 1.14 4.68 -0.33 1.82 1.01 -0.71 -0.47 121.20 128.33 3iaq s ILE 636 Ca 0.06 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 3iaq s ILE 636 Cb -0.14 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 3iaq s ILE 636 CO 0.04 0.19 0.52 -0.70 0.00 0.00 0.00 174.94 174.99 3iaq s GLU 637 N 1.65 3.70 -0.17 2.79 2.12 -0.33 -1.09 118.70 127.36 3iaq s GLU 637 Ca 0.06 -0.07 -0.09 0.00 0.36 0.00 0.00 54.97 55.22 3iaq s GLU 637 Cb -0.16 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 3iaq s GLU 637 CO 0.07 -0.59 0.13 0.08 -0.54 0.00 0.00 175.26 174.40 3iaq s VAL 638 N 2.39 5.40 -0.09 3.70 1.01 -0.14 -1.56 120.40 131.11 3iaq s VAL 638 Ca 0.19 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.38 3iaq s VAL 638 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3iaq s VAL 638 CO 0.13 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 3iaq s THR 639 N -0.12 1.63 0.06 3.92 2.01 -0.36 -1.40 115.64 121.38 3iaq s THR 639 Ca 0.10 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 3iaq s THR 639 Cb -0.11 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 3iaq s THR 639 CO 0.00 0.47 0.83 -0.55 -0.69 0.00 0.00 174.62 174.68 3iaq s SER 640 N 0.58 7.29 0.00 3.53 0.15 -0.86 -1.07 113.70 123.32 3iaq s SER 640 Ca -0.15 1.55 0.20 0.00 0.70 0.00 0.00 55.95 58.25 3iaq s SER 640 Cb -0.17 -2.51 0.18 0.00 -1.71 0.00 0.00 66.02 61.82 3iaq s SER 640 CO 0.05 -0.03 1.15 -0.62 1.20 0.00 0.00 173.24 174.99 3iaq n GLU 641 N 2.88 1.82 -2.15 5.44 1.02 0.17 -3.09 120.64 126.75 3iaq n GLU 641 Ca -0.01 -1.73 -0.37 0.00 -0.02 0.00 0.00 57.16 55.04 3iaq n GLU 641 Cb 0.50 -1.39 0.01 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.64 2.65 -0.05 -0.32 2.02 -1.26 -4.85 117.35 113.91 3iaq s TYR 642 Ca 0.24 1.51 0.20 0.00 -0.37 0.00 0.00 57.07 58.65 3iaq s TYR 642 Cb 0.17 -3.44 -0.31 0.00 -0.40 0.00 0.00 41.96 37.99 3iaq s TYR 642 CO 0.25 -1.85 0.40 1.28 -1.57 0.00 0.00 175.55 174.06 3iaq n LEU 643 N -0.97 0.00 0.00 -1.29 4.77 -1.26 -1.96 117.00 116.29 3iaq n LEU 643 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3iaq n LEU 643 Cb 0.49 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3iaq n LEU 643 CO 0.46 0.06 -0.26 0.49 -1.33 0.00 0.00 177.39 176.81 3iaq n PHE 644 N -2.27 0.00 -3.11 -1.77 3.72 -1.26 -4.87 117.46 107.91 3iaq n PHE 644 Ca -0.07 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.00 3iaq n PHE 644 Cb 0.60 0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 39.27 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 -1.89 4.08 0.69 -1.08 1.70 -1.26 -4.75 118.95 116.44 3iaq s ARG 645 Ca 0.00 0.75 -0.11 0.00 -0.47 0.00 0.00 55.73 55.90 3iaq s ARG 645 Cb 0.00 -2.53 0.00 0.00 -0.57 0.00 0.00 34.95 31.85 3iaq s ARG 645 CO 0.00 0.21 1.08 -1.01 -1.08 0.00 0.00 175.30 174.50 3iaq s HIS 646 N -1.87 3.38 -1.38 5.89 3.76 -1.26 -3.63 115.29 120.17 3iaq s HIS 646 Ca 0.52 1.08 -0.15 0.00 -0.15 0.00 0.00 55.06 56.35 3iaq s HIS 646 Cb -0.12 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.60 3iaq s HIS 646 CO 0.18 -1.08 2.16 -1.13 -0.85 0.00 0.00 174.74 174.02 3iaq n SER 647 N -2.94 3.84 -0.69 1.40 3.41 -0.83 -4.66 113.62 113.14 3iaq n SER 647 Ca 0.07 -2.83 0.10 0.00 -0.26 0.00 0.00 58.87 55.95 3iaq n SER 647 Cb 0.57 -1.62 0.31 0.00 -0.26 0.00 0.00 64.21 63.21 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 6.49 2.07 -2.81 4.04 5.68 -1.26 -4.04 116.55 126.72 3iaq n ASP 648 Ca 0.51 -1.81 -0.11 0.00 -0.50 0.00 0.00 54.79 52.89 3iaq n ASP 648 Cb 0.40 -0.16 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.59 0.32 -3.70 -1.12 5.15 -1.26 -5.04 115.26 110.20 3iaq n ASN 649 Ca 0.16 -2.84 -0.12 0.00 -0.60 0.00 0.00 54.58 51.19 3iaq n ASN 649 Cb 0.38 -0.03 -0.12 0.00 -0.53 0.00 0.00 39.78 39.47 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 -2.02 0.24 0.05 1.20 8.01 -1.26 -4.10 118.70 120.82 3iaq s GLU 650 Ca 0.29 0.68 0.06 0.00 0.01 0.00 0.00 54.97 56.01 3iaq s GLU 650 Cb 0.41 -0.04 -0.02 0.00 -4.31 0.00 0.00 34.13 30.16 3iaq s GLU 650 CO -0.02 -0.20 -0.17 -0.48 0.01 0.00 0.00 175.26 174.40 3iaq s LEU 651 N 1.67 2.18 -0.26 1.80 0.05 -0.14 -1.28 118.68 122.71 3iaq s LEU 651 Ca -0.06 -0.50 -0.16 0.00 0.05 0.00 0.00 54.13 53.45 3iaq s LEU 651 Cb -0.10 -0.76 -0.03 0.00 -2.05 0.00 0.00 46.19 43.24 3iaq s LEU 651 CO -0.10 0.08 0.44 -0.22 -0.55 0.00 0.00 176.35 176.00 3iaq s LEU 652 N -1.23 4.06 -0.12 1.48 2.96 0.51 -1.47 118.68 124.87 3iaq s LEU 652 Ca 0.04 0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 3iaq s LEU 652 Cb -0.08 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 3iaq s LEU 652 CO 0.02 -0.21 0.37 -1.00 -1.32 0.00 0.00 176.35 174.20 3iaq s HIS 653 N 2.05 3.52 0.04 5.38 3.76 0.19 -1.77 115.29 128.46 3iaq s HIS 653 Ca 0.18 0.75 0.09 0.00 -0.15 0.00 0.00 55.06 55.93 3iaq s HIS 653 Cb -0.16 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 3iaq s HIS 653 CO 0.09 0.29 -0.24 1.67 -0.85 0.00 0.00 174.74 175.70 3iaq s TRP 654 N 0.24 2.38 -0.04 1.40 1.48 -0.35 -0.44 118.94 123.61 3iaq s TRP 654 Ca 0.21 -0.37 -0.02 0.00 -1.06 0.00 0.00 56.10 54.86 3iaq s TRP 654 Cb -0.14 -1.42 0.03 0.00 -1.16 0.00 0.00 33.47 30.78 3iaq s TRP 654 CO 0.07 0.14 0.05 1.41 -4.06 0.00 0.00 176.95 174.56 3iaq s MET 655 N -1.22 0.02 -0.17 3.25 1.75 0.12 -1.76 119.30 121.30 3iaq s MET 655 Ca 0.12 0.31 -0.06 0.00 -1.25 0.00 0.00 55.69 54.81 3iaq s MET 655 Cb -0.10 -0.53 -0.04 0.00 2.84 0.00 0.00 34.83 37.01 3iaq s MET 655 CO 0.02 -0.30 0.03 0.08 -0.65 0.00 0.00 175.02 174.21 3iaq s VAL 656 N 1.96 4.50 -0.01 10.11 1.01 -0.02 -0.81 120.40 137.14 3iaq s VAL 656 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 3iaq s VAL 656 Cb -0.12 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3iaq s VAL 656 CO -0.03 0.48 0.02 0.00 0.00 0.00 0.00 175.10 175.57 3iaq s ALA 657 N 0.29 0.03 -0.37 5.51 0.00 -0.60 -1.17 121.76 125.45 3iaq s ALA 657 Ca 0.01 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 3iaq s ALA 657 Cb -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3iaq s ALA 657 CO 0.01 -0.05 0.73 -1.17 0.00 0.00 0.00 175.76 175.28 3iaq s LEU 658 N 0.50 4.19 -1.42 0.00 2.96 -0.06 -1.07 118.68 123.78 3iaq s LEU 658 Ca -0.04 0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.99 3iaq s LEU 658 Cb -0.06 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.71 3iaq s LEU 658 CO -0.01 -0.71 0.17 0.47 -1.32 0.00 0.00 176.35 174.95 3iaq n ASP 659 N 6.33 -0.35 0.00 3.68 8.00 -0.87 -0.58 116.55 132.75 3iaq n ASP 659 Ca 0.01 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3iaq n ASP 659 Cb 0.48 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 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 -2.42 2.38 3.62 0.44 0.00 -1.26 -4.87 105.19 103.07 3iaq n GLY 660 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.53 4.06 0.26 1.61 1.02 0.25 -4.60 119.74 121.81 3iaq s LYS 661 Ca 0.00 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 3iaq s LYS 661 Cb 0.00 -3.65 -0.11 0.00 -0.52 0.00 0.00 37.83 33.55 3iaq s LYS 661 CO 0.00 -0.34 1.51 -2.14 -0.92 0.00 0.00 175.35 173.47 3iaq s PRO 662 N 2.26 4.20 -0.00 -1.68 0.02 -1.26 -0.89 135.00 137.66 3iaq s PRO 662 Ca 0.20 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3iaq s PRO 662 Cb -0.16 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.29 3iaq s PRO 662 CO 0.09 -0.52 -0.00 -0.11 -0.33 0.00 0.00 177.00 176.13 3iaq n LEU 663 N 2.41 2.04 -3.48 -5.54 -0.00 -0.32 -4.87 117.00 107.23 3iaq n LEU 663 Ca 0.08 -0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.95 3iaq n LEU 663 Cb 0.39 -0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.77 3iaq n LEU 663 CO 0.62 0.34 0.48 0.00 -0.00 0.00 0.00 177.39 178.83 3iaq s ALA 664 N -2.00 -1.72 0.35 1.96 0.00 -1.04 -5.01 121.76 114.30 3iaq s ALA 664 Ca -0.00 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 3iaq s ALA 664 Cb 0.00 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3iaq s ALA 664 CO 0.00 -0.58 0.58 -1.54 0.00 0.00 0.00 175.76 174.22 3iaq s SER 665 N -2.04 0.58 0.00 0.00 1.04 -1.26 -0.84 113.70 111.18 3iaq s SER 665 Ca -0.03 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.05 3iaq s SER 665 Cb -0.01 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3iaq s SER 665 CO -0.03 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.37 3iaq n GLY 666 N -0.55 0.62 3.06 7.32 0.00 -0.72 -4.98 105.19 109.93 3iaq n GLY 666 Ca -0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 3iaq n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iaq s GLU 667 N -2.00 1.41 -0.04 1.61 2.02 -1.26 -1.21 118.70 119.22 3iaq s GLU 667 Ca 0.00 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3iaq s GLU 667 Cb 0.00 -1.24 0.01 0.00 0.10 0.00 0.00 34.13 33.00 3iaq s GLU 667 CO 0.00 0.15 -0.11 0.08 0.02 0.00 0.00 175.26 175.40 3iaq s VAL 668 N 0.22 0.96 0.25 2.63 1.01 -0.73 -5.00 120.40 119.74 3iaq s VAL 668 Ca -0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3iaq s VAL 668 Cb -0.11 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3iaq s VAL 668 CO 0.02 0.30 1.14 -2.84 0.00 0.00 0.00 175.10 173.72 3iaq s PRO 669 N 0.41 4.57 0.03 2.72 0.02 -1.26 -0.36 135.00 141.13 3iaq s PRO 669 Ca -0.08 1.85 -0.27 0.00 0.02 0.00 0.00 61.00 62.52 3iaq s PRO 669 Cb -0.12 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 3iaq s PRO 669 CO 0.02 0.09 0.85 -0.51 -0.33 0.00 0.00 177.00 177.11 3iaq s LEU 670 N -1.07 4.42 -0.42 -5.54 1.43 -0.41 -4.84 118.68 112.25 3iaq s LEU 670 Ca 0.47 1.53 0.08 0.00 -1.03 0.00 0.00 54.13 55.18 3iaq s LEU 670 Cb -0.33 -3.36 0.25 0.00 0.03 0.00 0.00 46.19 42.79 3iaq s LEU 670 CO 0.40 -0.09 0.56 -0.67 0.23 0.00 0.00 176.35 176.79 3iaq n ASP 671 N 3.22 0.70 -4.35 2.29 2.03 -1.26 -4.71 116.55 114.46 3iaq n ASP 671 Ca 0.01 -2.81 -0.34 0.00 0.52 0.00 0.00 54.79 52.17 3iaq n ASP 671 Cb 0.50 -0.64 -0.14 0.00 -0.72 0.00 0.00 41.12 40.12 3iaq n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iaq s VAL 672 N -1.42 3.21 0.67 5.18 1.01 -1.26 -4.88 120.40 122.91 3iaq s VAL 672 Ca 0.36 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3iaq s VAL 672 Cb 0.17 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3iaq s VAL 672 CO -0.10 0.49 1.15 0.00 0.00 0.00 0.00 175.10 176.64 3iaq s ALA 673 N 0.81 2.36 0.08 5.51 0.00 -1.26 -1.96 121.76 127.31 3iaq s ALA 673 Ca -0.03 0.71 -0.32 0.00 0.00 0.00 0.00 51.96 52.32 3iaq s ALA 673 Cb -0.15 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 3iaq s ALA 673 CO 0.01 -1.45 1.82 -0.35 0.00 0.00 0.00 175.76 175.80 3iaq n PRO 674 N -2.40 2.60 -1.64 0.00 -0.04 -1.24 -0.46 135.00 131.82 3iaq n PRO 674 Ca 0.12 0.95 -0.11 0.00 -0.04 0.00 0.00 63.50 64.41 3iaq n PRO 674 Cb 0.51 -2.82 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 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 5.66 -0.84 -2.94 0.54 1.13 -0.83 -4.92 117.38 115.19 3iaq n GLN 675 Ca 0.19 0.78 -0.17 0.00 -1.94 0.00 0.00 57.00 55.86 3iaq n GLN 675 Cb 0.35 -4.82 0.01 0.00 0.11 0.00 0.00 30.24 25.89 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 -1.38 2.62 3.01 1.08 0.00 0.39 -4.85 105.19 106.06 3iaq n GLY 676 Ca -0.12 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.49 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 -3.63 0.54 -0.05 1.61 1.02 -1.26 -2.02 119.74 115.95 3iaq s LYS 677 Ca 0.27 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.88 3iaq s LYS 677 Cb -0.02 -0.48 0.02 0.00 -0.52 0.00 0.00 37.83 36.83 3iaq s LYS 677 CO 0.17 0.12 -0.07 -1.14 -0.92 0.00 0.00 175.35 173.51 3iaq s GLN 678 N -0.56 1.14 -0.22 1.68 0.74 -0.50 -4.88 119.66 117.06 3iaq s GLN 678 Ca -0.01 -0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.09 3iaq s GLN 678 Cb -0.05 -1.06 -0.05 0.00 1.10 0.00 0.00 33.01 32.96 3iaq s GLN 678 CO 0.00 -0.06 0.17 -0.51 -0.55 0.00 0.00 175.29 174.35 3iaq s LEU 679 N 0.88 4.15 -0.28 3.68 1.43 -1.26 -0.96 118.68 126.31 3iaq s LEU 679 Ca -0.11 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3iaq s LEU 679 Cb -0.15 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 43.99 3iaq s LEU 679 CO 0.01 0.09 -0.05 -0.63 0.23 0.00 0.00 176.35 176.00 3iaq s ILE 680 N 0.85 2.62 -0.05 -0.59 1.01 -0.25 -4.98 121.20 119.80 3iaq s ILE 680 Ca 0.09 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 58.95 3iaq s ILE 680 Cb -0.13 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3iaq s ILE 680 CO 0.03 -0.06 1.15 -0.70 0.00 0.00 0.00 174.94 175.35 3iaq s GLU 681 N 1.19 4.38 0.29 2.79 2.56 -1.26 -1.74 118.70 126.91 3iaq s GLU 681 Ca -0.07 1.61 -0.17 0.00 0.00 0.00 0.00 54.97 56.34 3iaq s GLU 681 Cb -0.20 -3.53 -0.09 0.00 2.00 0.00 0.00 34.13 32.31 3iaq s GLU 681 CO -0.03 -0.39 0.75 -0.51 -0.56 0.00 0.00 175.26 174.52 3iaq s LEU 682 N 2.03 4.15 0.54 2.70 1.43 -0.42 -5.02 118.68 124.09 3iaq s LEU 682 Ca 0.54 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.79 3iaq s LEU 682 Cb -0.23 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 3iaq s LEU 682 CO 0.22 -0.13 1.23 -2.16 0.23 0.00 0.00 176.35 175.74 3iaq s PRO 683 N -2.64 3.27 0.17 1.29 0.04 -1.26 -4.93 135.00 130.94 3iaq s PRO 683 Ca 0.51 1.90 -0.33 0.00 0.04 0.00 0.00 61.00 63.12 3iaq s PRO 683 Cb -0.12 -2.16 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 3iaq s PRO 683 CO 0.18 -0.99 1.70 -1.91 0.04 0.00 0.00 177.00 176.03 3iaq n GLU 684 N -1.10 2.57 -3.99 4.56 2.13 -1.26 -4.96 120.64 118.59 3iaq n GLU 684 Ca 0.11 0.93 -0.34 0.00 0.66 0.00 0.00 57.16 58.51 3iaq n GLU 684 Cb 0.48 -2.76 -0.06 0.00 0.27 0.00 0.00 31.44 29.37 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 1.45 4.17 0.01 4.31 1.43 -1.26 -5.06 118.68 123.73 3iaq s LEU 685 Ca 0.78 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 3iaq s LEU 685 Cb -0.56 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 3iaq s LEU 685 CO 0.35 0.32 1.40 -2.84 0.23 0.00 0.00 176.35 175.81 3iaq s PRO 686 N -1.52 4.29 -0.22 1.29 0.02 -1.26 -4.98 135.00 132.62 3iaq s PRO 686 Ca 0.21 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.91 3iaq s PRO 686 Cb -0.12 -3.54 0.01 0.00 0.02 0.00 0.00 34.50 30.86 3iaq s PRO 686 CO 0.12 -0.56 1.08 -0.65 -0.33 0.00 0.00 177.00 176.66 3iaq s GLN 687 N 2.27 4.25 0.14 5.54 -0.21 -1.26 -5.02 119.66 125.37 3iaq s GLN 687 Ca 0.64 1.42 -0.30 0.00 0.02 0.00 0.00 55.36 57.13 3iaq s GLN 687 Cb -0.32 -3.67 -0.07 0.00 1.00 0.00 0.00 33.01 29.96 3iaq s GLN 687 CO 0.27 -0.65 1.05 -1.25 -2.12 0.00 0.00 175.29 172.59 3iaq s PRO 688 N 3.27 4.62 0.13 2.91 0.04 -1.26 -4.95 135.00 139.76 3iaq s PRO 688 Ca 0.46 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 3iaq s PRO 688 Cb -0.16 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 3iaq s PRO 688 CO 0.08 0.11 1.59 0.93 0.04 0.00 0.00 177.00 179.74 3iaq h GLU 689 N 5.43 0.77 -6.95 4.56 5.08 -2.03 -3.45 114.58 117.98 3iaq h GLU 689 Ca -0.43 -0.24 -0.53 0.00 -1.00 0.00 0.00 59.36 57.16 3iaq h GLU 689 Cb 1.21 -0.07 0.08 0.00 0.50 0.00 0.00 28.75 30.47 3iaq h GLU 689 CO 0.73 0.83 0.61 -1.54 -1.00 0.00 0.00 179.01 178.63 3iaq s SER 690 N -6.25 6.30 0.73 1.42 1.04 -1.26 -4.99 113.70 110.70 3iaq s SER 690 Ca -0.13 2.64 -0.14 0.00 0.48 0.00 0.00 55.95 58.80 3iaq s SER 690 Cb 0.11 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.63 3iaq s SER 690 CO 0.80 -0.85 1.17 0.00 0.98 0.00 0.00 173.24 175.34 3iaq s ALA 691 N -1.27 2.17 0.00 5.32 0.00 -1.26 -4.87 121.76 121.84 3iaq s ALA 691 Ca 0.57 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3iaq s ALA 691 Cb -0.38 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3iaq s ALA 691 CO 0.48 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.88 3iaq n GLY 692 N 0.02 2.95 3.72 0.00 0.00 0.62 -4.97 105.19 107.52 3iaq n GLY 692 Ca 0.12 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.93 4.23 0.09 1.61 2.00 -1.26 -1.75 119.66 122.64 3iaq s GLN 693 Ca 0.00 -0.00 -0.29 0.00 -2.00 0.00 0.00 55.36 53.07 3iaq s GLN 693 Cb 0.00 -3.44 -0.06 0.00 0.80 0.00 0.00 33.01 30.32 3iaq s GLN 693 CO 0.00 0.23 0.92 -0.51 -0.50 0.00 0.00 175.29 175.43 3iaq s LEU 694 N 0.51 4.48 -0.08 3.68 1.43 -0.35 -2.06 118.68 126.29 3iaq s LEU 694 Ca 0.14 1.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 3iaq s LEU 694 Cb -0.13 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.59 3iaq s LEU 694 CO 0.02 -0.06 -0.21 0.26 0.23 0.00 0.00 176.35 176.59 3iaq s TRP 695 N 0.06 2.21 -0.23 0.29 0.52 -0.23 -0.25 118.94 121.30 3iaq s TRP 695 Ca 0.45 -0.83 -0.07 0.00 0.02 0.00 0.00 56.10 55.67 3iaq s TRP 695 Cb -0.23 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 3iaq s TRP 695 CO 0.28 -0.33 0.07 -1.17 0.02 0.00 0.00 176.95 175.82 3iaq s LEU 696 N 0.30 3.51 -0.19 2.99 2.96 0.20 -1.56 118.68 126.90 3iaq s LEU 696 Ca -0.14 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3iaq s LEU 696 Cb -0.16 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3iaq s LEU 696 CO 0.06 0.01 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.05 3iaq s THR 697 N 1.34 2.28 0.06 3.68 2.01 0.01 -0.55 115.64 124.46 3iaq s THR 697 Ca 0.05 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3iaq s THR 697 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3iaq s THR 697 CO 0.03 0.48 0.08 0.68 -0.69 0.00 0.00 174.62 175.21 3iaq s VAL 698 N 1.31 4.57 0.01 3.82 -7.23 0.12 -0.70 120.40 122.30 3iaq s VAL 698 Ca 0.04 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 3iaq s VAL 698 Cb -0.14 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.63 3iaq s VAL 698 CO -0.11 0.19 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.72 3iaq s ARG 699 N -2.20 0.17 -0.22 4.82 0.52 0.42 -1.43 118.95 121.04 3iaq s ARG 699 Ca 0.27 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.15 3iaq s ARG 699 Cb -0.12 -0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.32 3iaq s ARG 699 CO 0.20 -0.01 0.02 0.08 0.02 0.00 0.00 175.30 175.61 3iaq s VAL 700 N -0.61 4.08 0.04 3.52 1.01 0.17 -0.64 120.40 127.98 3iaq s VAL 700 Ca -0.06 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3iaq s VAL 700 Cb -0.04 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3iaq s VAL 700 CO -0.00 0.40 -0.23 -0.69 0.00 0.00 0.00 175.10 174.58 3iaq s VAL 701 N 1.18 1.83 -0.53 2.92 1.01 -0.54 -1.22 120.40 125.05 3iaq s VAL 701 Ca 0.03 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 3iaq s VAL 701 Cb -0.14 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.77 3iaq s VAL 701 CO 0.02 0.29 0.49 -1.10 0.00 0.00 0.00 175.10 174.80 3iaq s GLN 702 N -1.12 2.99 0.38 2.72 -0.21 -0.47 -0.97 119.66 122.99 3iaq s GLN 702 Ca 0.09 -1.58 0.12 0.00 0.02 0.00 0.00 55.36 54.01 3iaq s GLN 702 Cb -0.09 -4.25 0.91 0.00 1.00 0.00 0.00 33.01 30.58 3iaq s GLN 702 CO 0.02 -1.26 1.89 -1.35 -2.12 0.00 0.00 175.29 172.46 3iaq h PRO 703 N 8.87 0.57 -5.90 2.91 0.11 -1.90 0.29 132.00 136.96 3iaq h PRO 703 Ca -0.30 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.13 3iaq h PRO 703 Cb 1.10 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 3iaq h PRO 703 CO 1.00 0.37 -0.54 -0.80 -0.21 0.00 0.00 178.00 177.83 3iaq s ASN 704 N -5.83 5.98 0.40 -2.05 -0.87 -1.26 -3.99 114.94 107.32 3iaq s ASN 704 Ca -0.09 0.25 -0.26 0.00 -1.57 0.00 0.00 52.86 51.19 3iaq s ASN 704 Cb 0.22 -1.80 -0.09 0.00 -0.02 0.00 0.00 41.25 39.56 3iaq s ASN 704 CO 0.78 0.29 1.27 0.00 -2.57 0.00 0.00 177.10 176.87 3iaq s ALA 705 N -1.22 3.25 0.04 0.60 0.00 -1.26 -4.41 121.76 118.77 3iaq s ALA 705 Ca 0.23 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3iaq s ALA 705 Cb -0.12 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3iaq s ALA 705 CO 0.14 -0.74 0.02 0.25 0.00 0.00 0.00 175.76 175.43 3iaq n THR 706 N 0.18 0.00 0.22 0.00 -2.24 0.16 -4.90 114.28 107.71 3iaq n THR 706 Ca 0.03 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3iaq n THR 706 Cb 0.44 -0.37 0.32 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.80 0.95 0.00 6.98 0.00 -2.00 -3.32 119.26 122.68 3iaq h ALA 707 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iaq h ALA 707 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iaq h ALA 707 CO 0.04 0.14 -0.94 -2.67 0.00 0.00 0.00 179.25 175.82 3iaq n TRP 708 N -3.16 0.00 -3.94 0.00 4.27 -1.26 -5.04 117.44 108.31 3iaq n TRP 708 Ca 0.02 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.53 3iaq n TRP 708 Cb 0.49 -0.11 -0.11 0.00 -1.36 0.00 0.00 31.31 30.22 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 -2.59 0.16 0.59 -0.67 1.04 -1.25 -4.71 113.70 106.27 3iaq s SER 709 Ca 0.01 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 3iaq s SER 709 Cb 0.08 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3iaq s SER 709 CO 0.48 -0.29 0.97 -1.61 0.98 0.00 0.00 173.24 173.77 3iaq s GLU 710 N -1.31 3.59 0.33 4.02 2.02 -1.26 0.38 118.70 126.48 3iaq s GLU 710 Ca -0.14 0.63 -0.29 0.00 0.02 0.00 0.00 54.97 55.19 3iaq s GLU 710 Cb -0.09 -2.15 -0.12 0.00 0.10 0.00 0.00 34.13 31.88 3iaq s GLU 710 CO -0.00 -0.48 1.48 0.00 0.02 0.00 0.00 175.26 176.28 3iaq n ALA 711 N -2.61 2.13 -0.67 5.21 0.00 -1.26 -2.52 120.51 120.80 3iaq n ALA 711 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3iaq n ALA 711 Cb 0.54 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 1.23 0.80 3.69 0.00 0.00 0.10 -4.92 105.19 106.09 3iaq n GLY 712 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.13 2.46 -3.05 1.61 -0.00 -1.05 -4.56 115.22 108.49 3iaq n HIS 713 Ca 0.00 0.21 -0.41 0.00 -0.00 0.00 0.00 57.72 57.52 3iaq n HIS 713 Cb 0.00 -2.58 -0.06 0.00 -0.00 0.00 0.00 29.99 27.35 3iaq n HIS 713 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3iaq s ILE 714 N 0.84 4.95 -0.12 3.57 1.01 -1.26 -1.37 121.20 128.82 3iaq s ILE 714 Ca 0.76 1.25 0.17 0.00 0.00 0.00 0.00 60.65 62.83 3iaq s ILE 714 Cb -0.61 -3.98 -0.26 0.00 0.01 0.00 0.00 42.46 37.62 3iaq s ILE 714 CO 0.38 0.01 0.42 -1.54 0.00 0.00 0.00 174.94 174.21 3iaq n SER 715 N 5.73 1.00 -3.55 3.58 3.41 -0.36 -5.02 113.62 118.41 3iaq n SER 715 Ca 0.01 -0.12 -0.15 0.00 -0.26 0.00 0.00 58.87 58.35 3iaq n SER 715 Cb 0.49 1.69 -0.06 0.00 -0.26 0.00 0.00 64.21 66.07 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 -3.12 -1.83 0.19 7.33 0.00 -1.23 -4.74 121.76 118.36 3iaq s ALA 716 Ca -0.05 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 3iaq s ALA 716 Cb 0.11 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3iaq s ALA 716 CO 0.72 -0.34 0.45 1.67 0.00 0.00 0.00 175.76 178.25 3iaq s TRP 717 N -1.00 0.07 -0.02 0.00 -2.14 -1.26 0.44 118.94 115.03 3iaq s TRP 717 Ca -0.07 -0.42 -0.30 0.00 2.66 0.00 0.00 56.10 57.97 3iaq s TRP 717 Cb -0.01 0.24 0.07 0.00 -3.10 0.00 0.00 33.47 30.68 3iaq s TRP 717 CO 0.06 -0.86 0.68 -1.14 -2.66 0.00 0.00 176.95 173.03 3iaq s GLN 718 N -3.91 1.08 0.06 3.25 2.00 -0.51 -4.99 119.66 116.64 3iaq s GLN 718 Ca 0.12 0.13 0.08 0.00 -2.00 0.00 0.00 55.36 53.69 3iaq s GLN 718 Cb 0.00 0.51 -0.03 0.00 0.80 0.00 0.00 33.01 34.29 3iaq s GLN 718 CO -0.01 -0.37 -0.21 -0.65 -0.50 0.00 0.00 175.29 173.55 3iaq s GLN 719 N -1.64 1.32 0.01 1.67 -0.21 -1.26 -0.70 119.66 118.85 3iaq s GLN 719 Ca -0.09 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.33 3iaq s GLN 719 Cb -0.00 -1.48 -0.01 0.00 1.00 0.00 0.00 33.01 32.52 3iaq s GLN 719 CO 0.06 0.37 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.91 3iaq s TRP 720 N -0.89 0.97 0.03 0.91 0.51 0.29 -4.99 118.94 115.77 3iaq s TRP 720 Ca 0.07 -0.25 -0.30 0.00 -2.12 0.00 0.00 56.10 53.50 3iaq s TRP 720 Cb -0.09 -0.60 -0.05 0.00 -0.81 0.00 0.00 33.47 31.92 3iaq s TRP 720 CO 0.02 -0.01 1.21 1.03 -0.51 0.00 0.00 176.95 178.70 3iaq s ARG 721 N -0.61 4.40 0.00 4.98 0.52 -1.26 -0.63 118.95 126.36 3iaq s ARG 721 Ca 0.02 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 3iaq s ARG 721 Cb -0.05 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.00 3iaq s ARG 721 CO 0.00 -0.33 0.00 1.28 0.02 0.00 0.00 175.30 176.27 3iaq n LEU 722 N 4.36 0.00 -4.75 2.53 4.77 0.65 -4.91 117.00 119.65 3iaq n LEU 722 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 3iaq n LEU 722 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3iaq n LEU 722 CO 0.56 0.00 1.05 0.00 -1.33 0.00 0.00 177.39 177.66 3iaq n ALA 723 N -3.00 1.97 -3.32 -1.18 0.00 -1.26 -4.63 120.51 109.09 3iaq n ALA 723 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 3iaq n ALA 723 Cb 0.00 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 16.91 3iaq n ALA 723 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3iaq s GLU 724 N -2.31 2.63 -0.24 0.00 2.12 -1.26 -1.21 118.70 118.44 3iaq s GLU 724 Ca 0.59 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 55.12 3iaq s GLU 724 Cb -0.47 -2.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 3iaq s GLU 724 CO 0.59 0.12 0.03 -0.80 -0.54 0.00 0.00 175.26 174.67 3iaq s ASN 725 N 0.47 4.87 0.22 -1.70 0.01 -0.72 -5.00 114.94 113.09 3iaq s ASN 725 Ca -0.17 -0.26 -0.26 0.00 -0.71 0.00 0.00 52.86 51.46 3iaq s ASN 725 Cb -0.17 -1.86 -0.09 0.00 0.41 0.00 0.00 41.25 39.54 3iaq s ASN 725 CO 0.07 -0.03 0.84 -0.76 -1.51 0.00 0.00 177.10 175.71 3iaq s LEU 726 N 1.56 4.55 -0.11 0.60 1.43 -1.26 -0.28 118.68 125.17 3iaq s LEU 726 Ca 0.06 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 3iaq s LEU 726 Cb -0.15 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 3iaq s LEU 726 CO 0.01 0.14 1.46 -0.55 0.23 0.00 0.00 176.35 177.65 3iaq s SER 727 N -1.28 6.80 -0.07 2.29 0.15 -1.26 -4.88 113.70 115.45 3iaq s SER 727 Ca 0.40 1.96 0.09 0.00 0.70 0.00 0.00 55.95 59.10 3iaq s SER 727 Cb -0.23 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.42 3iaq s SER 727 CO 0.27 -0.85 0.08 1.33 1.20 0.00 0.00 173.24 175.27 3iaq n VAL 728 N 5.44 0.49 -1.98 4.45 0.24 -1.26 -5.04 118.33 120.68 3iaq n VAL 728 Ca 0.16 -0.36 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 3iaq n VAL 728 Cb 0.44 -0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 32.29 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 2.45 0.38 3.34 -4.23 -1.26 -5.00 115.64 108.99 3iaq s THR 729 Ca -0.04 0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 60.66 3iaq s THR 729 Cb 0.04 -3.26 -0.10 0.00 1.34 0.00 0.00 72.50 70.51 3iaq s THR 729 CO 0.39 0.09 0.97 -0.76 -0.54 0.00 0.00 174.62 174.77 3iaq s LEU 730 N -2.18 4.14 0.59 4.79 1.02 -1.26 -5.05 118.68 120.73 3iaq s LEU 730 Ca 0.54 1.83 -0.19 0.00 0.02 0.00 0.00 54.13 56.33 3iaq s LEU 730 Cb -0.41 -4.25 -0.04 0.00 0.02 0.00 0.00 46.19 41.51 3iaq s LEU 730 CO 0.54 -0.28 1.19 -2.84 0.02 0.00 0.00 176.35 174.98 3iaq s PRO 731 N -2.58 3.01 0.48 1.29 0.02 -1.26 -4.99 135.00 130.97 3iaq s PRO 731 Ca 0.56 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 63.10 3iaq s PRO 731 Cb -0.16 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 3iaq s PRO 731 CO 0.20 -1.15 1.40 0.00 -0.33 0.00 0.00 177.00 177.12 3iaq s ALA 732 N -1.68 3.12 0.15 -1.55 0.00 -1.26 -4.90 121.76 115.63 3iaq s ALA 732 Ca 0.76 1.42 -0.34 0.00 0.00 0.00 0.00 51.96 53.79 3iaq s ALA 732 Cb -0.28 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.10 3iaq s ALA 732 CO 0.33 -1.22 1.19 0.00 0.00 0.00 0.00 175.76 176.05 3iaq n ALA 733 N -0.42 -0.97 -1.96 0.00 0.00 -1.26 -4.85 120.51 111.06 3iaq n ALA 733 Ca 0.07 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 3iaq n ALA 733 Cb 0.43 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 3iaq n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iaq s SER 734 N 0.09 6.63 0.03 0.00 1.04 -1.26 -4.94 113.70 115.28 3iaq s SER 734 Ca 0.76 2.43 -0.26 0.00 0.48 0.00 0.00 55.95 59.36 3iaq s SER 734 Cb -0.89 -2.56 -0.17 0.00 0.10 0.00 0.00 66.02 62.50 3iaq s SER 734 CO 0.51 -0.88 1.36 0.45 0.98 0.00 0.00 173.24 175.66 3iaq h HIS 735 N 8.48 -0.36 -2.70 5.02 3.86 -1.89 -3.45 115.15 124.12 3iaq h HIS 735 Ca -0.42 -0.01 -0.61 0.00 -1.16 0.00 0.00 60.37 58.17 3iaq h HIS 735 Cb 1.20 0.12 -0.14 0.00 1.06 0.00 0.00 27.41 29.64 3iaq h HIS 735 CO 0.79 -0.06 -0.74 0.00 0.86 0.00 0.00 177.93 178.79 3iaq s ALA 736 N -5.13 2.86 -0.18 2.45 0.00 -1.26 -5.14 121.76 115.36 3iaq s ALA 736 Ca -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.14 3iaq s ALA 736 Cb 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3iaq s ALA 736 CO 0.58 0.37 -0.04 -1.50 0.00 0.00 0.00 175.76 175.18 3iaq s ILE 737 N -2.01 3.67 0.31 0.00 2.07 -1.26 -4.29 121.20 119.69 3iaq s ILE 737 Ca 0.27 -0.42 -0.29 0.00 -1.41 0.00 0.00 60.65 58.80 3iaq s ILE 737 Cb -0.07 -2.63 -0.10 0.00 0.13 0.00 0.00 42.46 39.78 3iaq s ILE 737 CO 0.15 0.46 1.43 -2.84 -1.91 0.00 0.00 174.94 172.23 3iaq s PRO 738 N 0.83 4.24 -0.09 3.50 0.02 -1.26 -4.94 135.00 137.29 3iaq s PRO 738 Ca -0.01 2.38 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 3iaq s PRO 738 Cb -0.15 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3iaq s PRO 738 CO 0.02 -0.41 0.12 -1.58 -0.33 0.00 0.00 177.00 174.82 3iaq s HIS 739 N -0.58 3.51 -0.21 6.54 2.46 -0.40 -4.68 115.29 121.91 3iaq s HIS 739 Ca 0.55 0.43 -0.08 0.00 0.47 0.00 0.00 55.06 56.43 3iaq s HIS 739 Cb -0.43 -1.89 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 3iaq s HIS 739 CO 0.51 0.67 0.09 -1.17 -2.47 0.00 0.00 174.74 172.37 3iaq s LEU 740 N -1.22 3.76 -0.34 8.88 2.96 -1.26 -1.57 118.68 129.90 3iaq s LEU 740 Ca 0.17 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3iaq s LEU 740 Cb -0.12 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3iaq s LEU 740 CO 0.07 0.09 0.10 -0.89 -1.32 0.00 0.00 176.35 174.39 3iaq s THR 741 N 0.89 3.65 -0.26 3.68 2.01 0.18 -4.96 115.64 120.84 3iaq s THR 741 Ca 0.05 -1.21 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 3iaq s THR 741 Cb -0.14 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3iaq s THR 741 CO 0.03 -0.19 0.31 -0.89 -0.69 0.00 0.00 174.62 173.18 3iaq s THR 742 N 1.37 5.23 0.42 -0.82 2.01 -1.26 -0.51 115.64 122.08 3iaq s THR 742 Ca -0.02 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.48 3iaq s THR 742 Cb -0.20 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3iaq s THR 742 CO 0.02 0.21 0.03 -0.94 -0.69 0.00 0.00 174.62 173.26 3iaq s SER 743 N 1.52 3.48 0.30 3.53 1.04 -0.22 -5.03 113.70 118.31 3iaq s SER 743 Ca 0.13 -1.49 0.03 0.00 0.48 0.00 0.00 55.95 55.10 3iaq s SER 743 Cb -0.15 0.03 0.62 0.00 0.10 0.00 0.00 66.02 66.62 3iaq s SER 743 CO 0.09 -0.65 1.83 -0.08 0.98 0.00 0.00 173.24 175.41 3iaq h GLU 744 N 1.74 0.89 0.01 4.02 4.57 -2.03 -3.25 114.58 120.52 3iaq h GLU 744 Ca -0.42 -0.05 -0.37 0.00 -1.18 0.00 0.00 59.36 57.33 3iaq h GLU 744 Cb 1.27 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 29.59 3iaq h GLU 744 CO 0.74 0.59 -2.33 -0.12 -1.18 0.00 0.00 179.01 176.71 3iaq n MET 745 N -4.64 0.68 -3.95 1.92 1.56 -1.26 -4.91 117.12 106.52 3iaq n MET 745 Ca 0.20 0.10 -0.10 0.00 -0.27 0.00 0.00 57.70 57.63 3iaq n MET 745 Cb 0.41 -1.56 -0.11 0.00 2.15 0.00 0.00 33.22 34.10 3iaq n MET 745 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3iaq s ASP 746 N -6.05 0.17 -0.26 6.12 1.11 -1.23 -0.89 116.67 115.65 3iaq s ASP 746 Ca -0.20 -0.37 -0.16 0.00 0.18 0.00 0.00 52.55 51.99 3iaq s ASP 746 Cb 0.07 0.10 -0.03 0.00 1.07 0.00 0.00 42.92 44.13 3iaq s ASP 746 CO 0.74 -0.26 0.44 -0.36 1.18 0.00 0.00 175.17 176.92 3iaq s PHE 747 N -1.20 3.27 -0.14 4.23 0.08 -0.38 -1.06 117.98 122.78 3iaq s PHE 747 Ca -0.13 0.54 0.01 0.00 0.12 0.00 0.00 56.93 57.47 3iaq s PHE 747 Cb -0.08 -2.64 -0.00 0.00 -0.57 0.00 0.00 43.02 39.73 3iaq s PHE 747 CO -0.01 -0.23 -0.17 0.00 -0.10 0.00 0.00 175.22 174.71 3iaq s ILE 749 N 0.73 3.71 -0.02 0.00 1.09 -0.09 0.52 121.20 127.13 3iaq s ILE 749 Ca -0.08 -0.45 0.04 0.00 -1.10 0.00 0.00 60.65 59.06 3iaq s ILE 749 Cb -0.16 -2.56 -0.00 0.00 -1.06 0.00 0.00 42.46 38.68 3iaq s ILE 749 CO 0.01 0.56 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.67 3iaq s GLU 750 N -0.31 1.13 -0.28 2.79 2.02 -0.61 -0.92 118.70 122.52 3iaq s GLU 750 Ca 0.04 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.52 3iaq s GLU 750 Cb -0.13 -1.06 0.13 0.00 0.10 0.00 0.00 34.13 33.18 3iaq s GLU 750 CO 0.02 0.22 0.60 -1.17 0.02 0.00 0.00 175.26 174.95 3iaq s LEU 751 N -0.10 -1.07 0.00 1.80 2.96 -1.02 -1.28 118.68 119.97 3iaq s LEU 751 Ca 0.01 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 3iaq s LEU 751 Cb -0.07 2.09 0.00 0.00 0.50 0.00 0.00 46.19 48.71 3iaq s LEU 751 CO 0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3iaq n GLY 752 N 5.44 2.53 0.13 7.98 0.00 -1.26 -1.84 105.19 118.16 3iaq n GLY 752 Ca -0.10 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 4.80 0.76 -4.83 1.61 6.94 -1.26 -4.94 115.26 118.33 3iaq n ASN 753 Ca 0.00 -0.58 -0.33 0.00 -0.02 0.00 0.00 54.58 53.65 3iaq n ASN 753 Cb 0.00 0.16 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.71 4.12 -0.14 -3.83 1.02 -0.77 -0.17 119.74 117.26 3iaq s LYS 754 Ca 0.19 0.87 -0.10 0.00 0.02 0.00 0.00 55.97 56.95 3iaq s LYS 754 Cb 0.19 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 3iaq s LYS 754 CO 0.59 0.11 0.37 0.50 -0.92 0.00 0.00 175.35 175.99 3iaq s ARG 755 N -2.95 0.38 -0.04 1.68 3.52 -0.03 -2.44 118.95 119.07 3iaq s ARG 755 Ca 0.56 0.61 0.06 0.00 -0.13 0.00 0.00 55.73 56.83 3iaq s ARG 755 Cb -0.11 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.35 3iaq s ARG 755 CO 0.16 -0.11 -0.22 -1.58 -0.81 0.00 0.00 175.30 172.75 3iaq s TRP 756 N 0.79 2.06 -0.11 5.12 0.51 -0.10 -0.06 118.94 127.14 3iaq s TRP 756 Ca -0.05 -0.54 0.02 0.00 -2.12 0.00 0.00 56.10 53.41 3iaq s TRP 756 Cb -0.06 -1.35 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 3iaq s TRP 756 CO -0.06 -0.15 -0.18 -1.14 -0.51 0.00 0.00 176.95 174.92 3iaq s GLN 757 N -0.20 2.52 -0.24 4.98 0.74 0.50 -0.91 119.66 127.04 3iaq s GLN 757 Ca -0.00 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 54.71 3iaq s GLN 757 Cb -0.11 -2.07 0.02 0.00 1.10 0.00 0.00 33.01 31.95 3iaq s GLN 757 CO 0.02 -0.01 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.63 3iaq s PHE 758 N 0.84 3.03 -0.18 1.67 0.40 -0.10 -1.80 117.98 121.83 3iaq s PHE 758 Ca -0.09 -1.35 -0.29 0.00 -0.60 0.00 0.00 56.93 54.60 3iaq s PHE 758 Cb -0.15 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 3iaq s PHE 758 CO -0.00 -0.67 1.50 1.21 0.70 0.00 0.00 175.22 177.96 3iaq s ASN 759 N 1.38 6.62 0.13 1.36 3.84 -0.99 -1.25 114.94 126.02 3iaq s ASN 759 Ca 0.02 1.73 0.21 0.00 0.21 0.00 0.00 52.86 55.04 3iaq s ASN 759 Cb -0.16 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 38.87 3iaq s ASN 759 CO -0.04 -1.04 1.66 0.54 -2.79 0.00 0.00 177.10 175.43 3iaq n ARG 760 N 7.25 0.11 -0.09 0.43 1.74 -0.07 -0.48 116.66 125.55 3iaq n ARG 760 Ca 0.17 0.29 -0.09 0.00 -0.77 0.00 0.00 57.85 57.44 3iaq n ARG 760 Cb 0.45 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 3iaq n ARG 760 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3iaq n GLN 761 N -1.89 0.92 -0.04 5.56 7.27 -1.26 -4.47 117.38 123.46 3iaq n GLN 761 Ca 0.04 -0.01 -0.11 0.00 0.07 0.00 0.00 57.00 56.99 3iaq n GLN 761 Cb 0.25 -1.48 -0.14 0.00 2.41 0.00 0.00 30.24 31.27 3iaq n GLN 761 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3iaq n SER 762 N -2.70 0.95 0.00 1.69 3.41 -1.20 -4.83 113.62 110.95 3iaq n SER 762 Ca -0.31 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3iaq n SER 762 Cb 1.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 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 1.68 0.75 3.63 5.00 0.00 0.37 -4.78 105.19 111.84 3iaq n GLY 763 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.68 2.73 -0.39 1.61 0.08 -1.25 -4.93 117.98 113.16 3iaq s PHE 764 Ca 0.00 -0.19 -0.28 0.00 0.12 0.00 0.00 56.93 56.58 3iaq s PHE 764 Cb 0.00 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.14 3iaq s PHE 764 CO 0.00 0.56 1.90 -1.17 -0.10 0.00 0.00 175.22 176.41 3iaq s LEU 765 N -3.23 3.45 -0.09 -0.37 2.96 -1.26 -2.36 118.68 117.78 3iaq s LEU 765 Ca 0.28 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 3iaq s LEU 765 Cb -0.08 -3.21 -0.24 0.00 0.50 0.00 0.00 46.19 43.16 3iaq s LEU 765 CO 0.18 -1.97 0.48 -1.54 -1.32 0.00 0.00 176.35 172.18 3iaq n SER 766 N 11.41 1.20 -3.74 3.68 3.41 -0.75 -1.16 113.62 127.67 3iaq n SER 766 Ca 0.24 0.29 -0.14 0.00 -0.26 0.00 0.00 58.87 59.01 3iaq n SER 766 Cb 0.48 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.57 0.61 -0.03 4.33 2.00 -1.18 -4.26 119.66 118.55 3iaq s GLN 767 Ca -0.12 0.12 0.01 0.00 -2.00 0.00 0.00 55.36 53.38 3iaq s GLN 767 Cb 0.07 0.28 0.02 0.00 0.80 0.00 0.00 33.01 34.18 3iaq s GLN 767 CO 0.80 -0.14 -0.05 1.41 -0.50 0.00 0.00 175.29 176.81 3iaq s MET 768 N -0.73 0.76 -0.12 1.67 -2.45 -1.26 -0.37 119.30 116.80 3iaq s MET 768 Ca -0.08 -0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 3iaq s MET 768 Cb -0.04 -0.76 -0.02 0.00 1.25 0.00 0.00 34.83 35.27 3iaq s MET 768 CO 0.03 -0.03 -0.14 -1.58 1.05 0.00 0.00 175.02 174.35 3iaq s TRP 769 N 0.67 2.78 -0.52 4.11 0.51 0.91 -0.90 118.94 126.49 3iaq s TRP 769 Ca -0.09 -0.60 -0.15 0.00 -2.12 0.00 0.00 56.10 53.14 3iaq s TRP 769 Cb -0.12 -1.81 0.12 0.00 -0.81 0.00 0.00 33.47 30.86 3iaq s TRP 769 CO 0.00 -0.17 0.46 0.42 -0.51 0.00 0.00 176.95 177.15 3iaq s ILE 770 N 0.20 5.05 0.00 2.03 1.01 -0.97 -0.85 121.20 127.67 3iaq s ILE 770 Ca -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.06 3iaq s ILE 770 Cb -0.15 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3iaq s ILE 770 CO 0.05 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 174.78 3iaq n GLY 771 N 5.19 0.78 0.06 6.18 0.00 0.76 -2.54 105.19 115.63 3iaq n GLY 771 Ca -0.13 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3iaq n GLY 771 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iaq n ASP 772 N 8.37 0.05 -4.86 1.61 2.03 -1.26 -4.92 116.55 117.58 3iaq n ASP 772 Ca 0.00 0.02 -0.36 0.00 0.52 0.00 0.00 54.79 54.97 3iaq n ASP 772 Cb 0.00 1.40 -0.06 0.00 -0.72 0.00 0.00 41.12 41.74 3iaq n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3iaq s LYS 773 N -2.98 3.38 0.21 -0.67 -0.14 -1.05 -5.08 119.74 113.41 3iaq s LYS 773 Ca -0.09 -0.18 -0.30 0.00 -1.36 0.00 0.00 55.97 54.05 3iaq s LYS 773 Cb 0.10 -3.13 -0.08 0.00 -1.68 0.00 0.00 37.83 33.03 3iaq s LYS 773 CO 0.86 0.76 1.16 0.15 -0.76 0.00 0.00 175.35 177.52 3iaq s LYS 774 N -1.08 4.54 -0.06 1.68 1.02 -1.26 -2.28 119.74 122.31 3iaq s LYS 774 Ca 0.16 1.84 0.16 0.00 0.02 0.00 0.00 55.97 58.15 3iaq s LYS 774 Cb -0.12 -3.23 -0.25 0.00 -0.52 0.00 0.00 37.83 33.71 3iaq s LYS 774 CO 0.05 0.01 0.30 1.04 -0.92 0.00 0.00 175.35 175.83 3iaq n GLN 775 N 2.11 0.74 -4.23 1.68 1.13 -0.08 -4.67 117.38 114.06 3iaq n GLN 775 Ca 0.03 -0.12 -0.30 0.00 -1.94 0.00 0.00 57.00 54.66 3iaq n GLN 775 Cb 0.45 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.30 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 -4.43 3.17 -0.01 1.08 1.43 -1.26 -0.52 118.68 118.15 3iaq s LEU 776 Ca -0.07 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3iaq s LEU 776 Cb 0.09 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 3iaq s LEU 776 CO 0.70 0.19 0.11 0.18 0.23 0.00 0.00 176.35 177.75 3iaq n LEU 777 N 0.76 0.02 -3.84 1.79 4.77 0.28 -4.65 117.00 116.13 3iaq n LEU 777 Ca -0.13 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 3iaq n LEU 777 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 3iaq n LEU 777 CO 0.35 0.00 -0.32 -0.89 -1.33 0.00 0.00 177.39 175.20 3iaq s THR 778 N -2.24 -0.01 0.83 -5.08 2.01 -1.16 -4.94 115.64 105.05 3iaq s THR 778 Ca -0.01 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.90 3iaq s THR 778 Cb 0.03 -0.08 0.04 0.00 0.01 0.00 0.00 72.50 72.50 3iaq s THR 778 CO 0.19 0.02 0.78 -2.65 -0.69 0.00 0.00 174.62 172.27 3iaq n PRO 779 N 3.32 0.05 -2.55 4.92 -0.02 -1.26 -3.60 135.00 135.85 3iaq n PRO 779 Ca -0.16 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 3iaq n PRO 779 Cb 0.58 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.86 3.72 0.16 2.45 2.96 -0.31 -4.51 118.68 120.29 3iaq s LEU 780 Ca 0.66 0.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.35 3iaq s LEU 780 Cb -0.28 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 3iaq s LEU 780 CO 0.58 -1.18 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.18 3iaq s ARG 781 N 4.32 1.13 0.19 1.98 0.52 -0.36 -4.10 118.95 122.64 3iaq s ARG 781 Ca 0.50 -1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 3iaq s ARG 781 Cb -0.10 -0.83 -0.08 0.00 0.52 0.00 0.00 34.95 34.46 3iaq s ARG 781 CO 0.27 0.13 1.18 -0.51 0.02 0.00 0.00 175.30 176.40 3iaq s ASP 782 N -3.07 7.11 -0.10 0.23 1.11 -1.26 0.06 116.67 120.75 3iaq s ASP 782 Ca 0.17 2.23 0.04 0.00 0.18 0.00 0.00 52.55 55.17 3iaq s ASP 782 Cb 0.00 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.38 3iaq s ASP 782 CO 0.03 -0.35 -0.22 -1.58 1.18 0.00 0.00 175.17 174.23 3iaq s GLN 783 N -0.36 3.03 0.00 8.23 0.74 -0.51 -4.83 119.66 125.96 3iaq s GLN 783 Ca 0.52 -0.85 0.04 0.00 0.05 0.00 0.00 55.36 55.12 3iaq s GLN 783 Cb -0.32 -2.33 0.04 0.00 1.10 0.00 0.00 33.01 31.49 3iaq s GLN 783 CO 0.37 0.21 0.65 1.19 -0.55 0.00 0.00 175.29 177.17 3iaq n PHE 784 N 3.44 0.00 -4.39 1.67 3.72 -1.26 -2.44 117.46 118.20 3iaq n PHE 784 Ca -0.19 -0.01 -0.20 0.00 -0.05 0.00 0.00 57.45 57.00 3iaq n PHE 784 Cb 0.53 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.38 1.97 0.10 4.37 -4.23 -1.26 -3.11 115.64 113.10 3iaq s THR 785 Ca 0.05 -2.27 0.06 0.00 -1.18 0.00 0.00 61.69 58.35 3iaq s THR 785 Cb 0.04 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 3iaq s THR 785 CO 0.05 -0.53 -0.15 0.00 -0.54 0.00 0.00 174.62 173.46 3iaq s ARG 786 N -3.60 0.94 -0.20 3.99 1.70 -1.26 -4.75 118.95 115.76 3iaq s ARG 786 Ca 0.25 -1.11 -0.35 0.00 -0.47 0.00 0.00 55.73 54.05 3iaq s ARG 786 Cb -0.02 -0.91 -0.12 0.00 -0.57 0.00 0.00 34.95 33.33 3iaq s ARG 786 CO 0.10 0.19 1.95 0.00 -1.08 0.00 0.00 175.30 176.45 3iaq n ALA 787 N 0.91 0.75 -1.76 7.88 0.00 -1.26 -4.86 120.51 122.17 3iaq n ALA 787 Ca -0.18 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 3iaq n ALA 787 Cb 0.55 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 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 4.62 4.11 0.88 0.00 0.04 -1.26 -1.68 135.00 141.71 3iaq s PRO 788 Ca 0.99 2.59 -0.14 0.00 0.04 0.00 0.00 61.00 64.48 3iaq s PRO 788 Cb -0.79 -3.01 0.13 0.00 0.04 0.00 0.00 34.50 30.87 3iaq s PRO 788 CO 0.53 -0.62 1.24 -0.51 0.04 0.00 0.00 177.00 177.68 3iaq s LEU 789 N -0.83 2.60 0.24 -3.56 1.43 -1.26 -4.51 118.68 112.78 3iaq s LEU 789 Ca 0.61 0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 54.20 3iaq s LEU 789 Cb -0.48 -2.83 0.33 0.00 0.03 0.00 0.00 46.19 43.25 3iaq s LEU 789 CO 0.51 -2.28 1.83 0.44 0.23 0.00 0.00 176.35 177.08 3iaq h ASP 790 N -1.32 0.75 0.59 2.29 3.32 -1.88 -1.58 116.42 118.59 3iaq h ASP 790 Ca -0.45 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 3iaq h ASP 790 Cb 1.29 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3iaq h ASP 790 CO 0.53 0.47 -0.25 0.78 -1.72 0.00 0.00 179.24 179.05 3iaq h ASN 791 N 0.88 0.00 -0.21 6.45 2.35 -1.84 0.45 115.58 123.66 3iaq h ASN 791 Ca 0.37 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.98 3iaq h ASN 791 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3iaq h ASN 791 CO -0.19 0.25 -0.42 0.44 -1.65 0.00 0.00 177.43 175.86 3iaq h ASP 792 N 0.00 0.73 0.15 5.81 3.32 -1.71 -3.36 116.42 121.35 3iaq h ASP 792 Ca -0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 3iaq h ASP 792 Cb 0.61 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3iaq h ASP 792 CO 0.03 1.14 -0.07 0.40 -1.72 0.00 0.00 179.24 179.02 3iaq h ILE 793 N 0.34 0.49 0.00 0.35 2.04 -0.97 0.57 117.51 120.33 3iaq h ILE 793 Ca 0.01 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3iaq h ILE 793 Cb 1.02 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3iaq h ILE 793 CO 0.09 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3iaq n GLY 794 N 1.06 1.08 0.23 5.37 0.00 0.16 -3.23 105.19 109.85 3iaq n GLY 794 Ca -0.05 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -1.76 1.61 0.24 -1.26 -4.89 118.33 112.26 3iaq n VAL 795 Ca 0.00 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 3iaq n VAL 795 Cb 0.00 0.45 -0.00 0.00 -1.47 0.00 0.00 33.84 32.81 3iaq n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3iaq n SER 796 N -0.73 3.76 -4.16 -1.34 2.88 -1.20 -4.87 113.62 107.97 3iaq n SER 796 Ca 0.11 1.21 -0.10 0.00 -1.33 0.00 0.00 58.87 58.76 3iaq n SER 796 Cb 0.35 -1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 62.11 3iaq n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3iaq s GLU 797 N -1.72 0.98 0.19 -1.46 2.02 -0.85 -4.91 118.70 112.95 3iaq s GLU 797 Ca 0.56 -1.48 -0.12 0.00 0.02 0.00 0.00 54.97 53.95 3iaq s GLU 797 Cb -0.48 0.24 0.20 0.00 0.10 0.00 0.00 34.13 34.19 3iaq s GLU 797 CO 0.60 -0.28 1.75 0.00 0.02 0.00 0.00 175.26 177.35 3iaq h ALA 798 N 2.82 0.67 0.00 5.21 0.00 -2.00 -2.43 119.26 123.53 3iaq h ALA 798 Ca -0.35 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iaq h ALA 798 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3iaq h ALA 798 CO 0.58 -0.18 -0.34 1.79 0.00 0.00 0.00 179.25 181.09 3iaq h THR 799 N 0.40 0.00 -2.15 0.00 1.35 -2.01 -3.40 112.91 107.10 3iaq h THR 799 Ca 0.26 -0.71 -0.56 0.00 -0.55 0.00 0.00 66.41 64.85 3iaq h THR 799 Cb 0.27 1.51 -0.37 0.00 -1.73 0.00 0.00 68.15 67.83 3iaq h THR 799 CO -0.25 0.00 -0.99 -1.14 -0.25 0.00 0.00 175.52 172.89 3iaq n ARG 800 N -2.52 0.38 -1.81 4.72 0.63 -0.95 -5.13 116.66 111.98 3iaq n ARG 800 Ca 0.04 -3.11 -0.40 0.00 -0.92 0.00 0.00 57.85 53.45 3iaq n ARG 800 Cb 0.48 -1.51 0.01 0.00 0.45 0.00 0.00 32.46 31.89 3iaq n ARG 800 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3iaq s ILE 801 N -0.29 2.08 -0.52 5.15 -1.09 -1.00 -2.01 121.20 123.52 3iaq s ILE 801 Ca 0.34 0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.83 3iaq s ILE 801 Cb 0.08 -3.05 0.13 0.00 -1.58 0.00 0.00 42.46 38.05 3iaq s ILE 801 CO -0.17 0.01 0.30 -0.62 -1.23 0.00 0.00 174.94 173.23 3iaq s ASP 802 N -0.41 4.96 0.59 3.58 -1.08 -1.26 -4.86 116.67 118.19 3iaq s ASP 802 Ca 0.59 -2.62 0.29 0.00 -0.52 0.00 0.00 52.55 50.28 3iaq s ASP 802 Cb -0.44 -1.77 1.60 0.00 -1.46 0.00 0.00 42.92 40.85 3iaq s ASP 802 CO 0.58 -0.38 2.03 1.55 0.52 0.00 0.00 175.17 179.47 3iaq h PRO 803 N 7.21 0.00 0.00 4.34 0.13 -1.95 -0.09 132.00 141.63 3iaq h PRO 803 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3iaq h PRO 803 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3iaq h PRO 803 CO 0.68 0.00 -0.30 -0.97 -0.23 0.00 0.00 178.00 177.18 3iaq h ASN 804 N 0.00 0.00 -4.01 1.44 -1.24 -1.96 -3.35 115.58 106.47 3iaq h ASN 804 Ca 0.12 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.62 3iaq h ASN 804 Cb 0.71 0.00 0.08 0.00 0.73 0.00 0.00 38.32 39.85 3iaq h ASN 804 CO -0.00 0.30 0.52 0.00 -1.29 0.00 0.00 177.43 176.96 3iaq s ALA 805 N -3.36 2.95 0.17 1.57 0.00 -0.05 -4.73 121.76 118.31 3iaq s ALA 805 Ca 0.02 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 3iaq s ALA 805 Cb 0.09 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.91 3iaq s ALA 805 CO 0.68 -0.83 1.75 -1.49 0.00 0.00 0.00 175.76 175.86 3iaq h TRP 806 N 1.94 0.27 -1.00 0.00 4.06 -1.74 -0.36 115.95 119.13 3iaq h TRP 806 Ca -0.50 0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.52 3iaq h TRP 806 Cb 1.26 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 29.31 3iaq h TRP 806 CO 0.52 0.09 0.65 -0.24 -3.56 0.00 0.00 178.44 175.89 3iaq h VAL 807 N 0.32 1.15 -0.22 1.49 3.04 -1.20 -1.40 116.25 119.43 3iaq h VAL 807 Ca 0.21 -0.42 -0.19 0.00 -1.01 0.00 0.00 66.70 65.29 3iaq h VAL 807 Cb 0.22 -0.19 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 3iaq h VAL 807 CO -0.22 0.23 -0.61 -0.33 -1.01 0.00 0.00 177.57 175.62 3iaq h GLU 808 N 1.23 0.74 -0.97 4.17 4.39 -1.57 0.17 114.58 122.75 3iaq h GLU 808 Ca 0.41 -0.50 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3iaq h GLU 808 Cb 0.05 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 3iaq h GLU 808 CO -0.14 1.13 0.63 0.00 -1.16 0.00 0.00 179.01 179.47 3iaq h ARG 809 N 0.55 1.17 -0.01 2.33 3.08 -0.79 -1.50 114.38 119.21 3iaq h ARG 809 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3iaq h ARG 809 Cb 1.21 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3iaq h ARG 809 CO 0.13 0.77 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.29 3iaq h TRP 810 N 1.20 0.05 -0.30 3.04 6.55 -0.88 -2.97 115.95 122.64 3iaq h TRP 810 Ca 0.39 -0.02 0.06 0.00 0.95 0.00 0.00 58.89 60.28 3iaq h TRP 810 Cb 0.04 -0.01 -0.06 0.00 -0.86 0.00 0.00 29.16 28.27 3iaq h TRP 810 CO -0.01 0.57 -0.08 0.87 -1.05 0.00 0.00 178.44 178.74 3iaq h LYS 811 N -0.48 -0.01 -0.53 0.49 1.57 -0.56 -2.59 116.57 114.46 3iaq h LYS 811 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3iaq h LYS 811 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3iaq h LYS 811 CO 0.01 -0.01 0.20 0.00 -0.57 0.00 0.00 179.45 179.08 3iaq h ALA 812 N 1.28 1.36 0.00 3.86 0.00 -1.35 -2.82 119.26 121.59 3iaq h ALA 812 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iaq h ALA 812 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iaq h ALA 812 CO -0.32 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3iaq h ALA 813 N 1.47 1.00 0.00 0.00 0.00 -1.31 -3.46 119.26 116.95 3iaq h ALA 813 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iaq h ALA 813 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iaq h ALA 813 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3iaq n GLY 814 N 0.56 0.48 0.33 0.00 0.00 -1.06 -4.83 105.19 100.67 3iaq n GLY 814 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.49 0.00 1.61 -0.00 -1.69 0.20 115.15 114.79 3iaq h HIS 815 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 3iaq h HIS 815 Cb 0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 3iaq h HIS 815 CO 0.00 -0.39 -0.06 1.88 -0.00 0.00 0.00 177.93 179.36 3iaq h TYR 816 N -0.00 0.00 -0.38 2.45 0.05 -1.85 -3.30 116.97 113.95 3iaq h TYR 816 Ca 0.43 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.93 3iaq h TYR 816 Cb 0.66 0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.09 3iaq h TYR 816 CO -0.71 0.04 -0.84 0.00 -1.05 0.00 0.00 178.16 175.61 3iaq n GLN 817 N -3.10 2.14 -2.99 4.88 10.64 -0.53 -5.06 117.38 123.37 3iaq n GLN 817 Ca 0.04 -3.48 -0.34 0.00 -1.83 0.00 0.00 57.00 51.38 3iaq n GLN 817 Cb 0.55 -1.62 -0.06 0.00 -0.86 0.00 0.00 30.24 28.24 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 -3.01 3.26 0.01 2.61 0.00 0.61 -4.96 121.76 120.27 3iaq s ALA 818 Ca 0.40 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.69 3iaq s ALA 818 Cb 0.38 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 3iaq s ALA 818 CO -0.04 0.25 -0.26 -1.21 0.00 0.00 0.00 175.76 174.51 3iaq s GLU 819 N -2.60 1.99 -0.13 0.00 2.02 -1.23 -4.95 118.70 113.81 3iaq s GLU 819 Ca 0.52 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 3iaq s GLU 819 Cb -0.13 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 3iaq s GLU 819 CO 0.18 0.54 1.42 0.00 0.02 0.00 0.00 175.26 177.42 3iaq s ALA 820 N -0.69 3.63 -0.21 5.21 0.00 -1.26 -3.05 121.76 125.39 3iaq s ALA 820 Ca 0.11 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 3iaq s ALA 820 Cb -0.10 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3iaq s ALA 820 CO 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 175.76 174.47 3iaq s ALA 821 N 3.77 3.02 0.17 0.00 0.00 0.69 -4.95 121.76 124.46 3iaq s ALA 821 Ca 0.62 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 3iaq s ALA 821 Cb -0.26 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 3iaq s ALA 821 CO 0.21 -0.23 1.25 -1.17 0.00 0.00 0.00 175.76 175.82 3iaq s LEU 822 N 1.14 4.42 -0.13 0.00 2.96 -1.26 -0.98 118.68 124.83 3iaq s LEU 822 Ca 0.03 2.27 0.06 0.00 -0.22 0.00 0.00 54.13 56.27 3iaq s LEU 822 Cb -0.14 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.82 3iaq s LEU 822 CO 0.01 -0.46 -0.03 0.18 -1.32 0.00 0.00 176.35 174.73 3iaq n LEU 823 N 2.85 1.28 -3.66 -0.68 4.77 0.91 -4.93 117.00 117.55 3iaq n LEU 823 Ca 0.06 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3iaq n LEU 823 Cb 0.44 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3iaq n LEU 823 CO 0.57 0.49 0.30 -1.58 -1.33 0.00 0.00 177.39 175.84 3iaq s GLN 824 N -2.29 0.74 -0.33 3.23 0.74 -1.15 -4.93 119.66 115.68 3iaq s GLN 824 Ca -0.12 0.74 0.05 0.00 0.05 0.00 0.00 55.36 56.07 3iaq s GLN 824 Cb 0.04 0.36 0.18 0.00 1.10 0.00 0.00 33.01 34.69 3iaq s GLN 824 CO 0.43 -0.11 0.51 0.00 -0.55 0.00 0.00 175.29 175.56 3iaq s THR 826 N 2.35 3.01 -0.03 0.00 -4.23 -0.09 -4.98 115.64 111.66 3iaq s THR 826 Ca 0.12 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3iaq s THR 826 Cb -0.10 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 3iaq s THR 826 CO -0.21 -0.28 -0.18 0.00 -0.54 0.00 0.00 174.62 173.41 3iaq s ALA 827 N -2.13 1.59 0.12 3.99 0.00 -1.26 -1.74 121.76 122.34 3iaq s ALA 827 Ca 0.28 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.52 3iaq s ALA 827 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3iaq s ALA 827 CO 0.16 0.33 -0.11 -0.51 0.00 0.00 0.00 175.76 175.63 3iaq s ASP 828 N -0.16 1.67 -0.25 0.00 1.01 0.17 -4.98 116.67 114.13 3iaq s ASP 828 Ca 0.00 -0.90 -0.02 0.00 0.71 0.00 0.00 52.55 52.34 3iaq s ASP 828 Cb -0.10 -0.01 0.02 0.00 1.01 0.00 0.00 42.92 43.84 3iaq s ASP 828 CO 0.01 -0.28 -0.06 -0.89 0.21 0.00 0.00 175.17 174.17 3iaq s THR 829 N -2.80 2.94 0.47 -1.27 2.01 -1.26 -0.62 115.64 115.10 3iaq s THR 829 Ca 0.11 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.15 3iaq s THR 829 Cb -0.01 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 70.03 3iaq s THR 829 CO 0.01 0.22 0.69 -0.76 -0.69 0.00 0.00 174.62 174.08 3iaq s LEU 830 N 1.34 3.58 0.35 4.42 1.43 0.18 -4.99 118.68 125.00 3iaq s LEU 830 Ca 0.01 0.23 0.17 0.00 -1.03 0.00 0.00 54.13 53.50 3iaq s LEU 830 Cb -0.16 -3.11 1.17 0.00 0.03 0.00 0.00 46.19 44.12 3iaq s LEU 830 CO -0.04 -0.78 1.64 0.00 0.23 0.00 0.00 176.35 177.40 3iaq h ALA 831 N 0.35 2.04 0.00 4.21 0.00 -2.02 -2.96 119.26 120.88 3iaq h ALA 831 Ca -0.45 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3iaq h ALA 831 Cb 1.26 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3iaq h ALA 831 CO 0.56 -0.70 -0.31 -0.40 0.00 0.00 0.00 179.25 178.40 3iaq n ASP 832 N -5.09 0.35 -3.61 0.00 5.75 -1.26 -5.04 116.55 107.65 3iaq n ASP 832 Ca 0.34 -1.89 -0.11 0.00 -0.01 0.00 0.00 54.79 53.11 3iaq n ASP 832 Cb 1.08 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.95 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 -0.36 -1.03 -0.11 2.12 0.00 -1.12 -2.79 121.76 118.47 3iaq s ALA 833 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 3iaq s ALA 833 Cb 0.03 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3iaq s ALA 833 CO 0.00 -0.63 0.04 0.08 0.00 0.00 0.00 175.76 175.25 3iaq s VAL 834 N -3.61 4.61 -0.20 0.00 1.01 -0.95 0.49 120.40 121.76 3iaq s VAL 834 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3iaq s VAL 834 Cb 0.01 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.43 3iaq s VAL 834 CO -0.11 0.58 -0.16 -0.22 0.00 0.00 0.00 175.10 175.19 3iaq s LEU 835 N -0.61 2.54 -0.24 3.92 2.96 0.20 -2.69 118.68 124.76 3iaq s LEU 835 Ca 0.11 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 3iaq s LEU 835 Cb -0.12 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3iaq s LEU 835 CO 0.02 -0.05 0.00 -0.63 -1.32 0.00 0.00 176.35 174.38 3iaq s ILE 836 N 1.28 3.72 -0.16 6.68 -1.09 -0.63 0.42 121.20 131.42 3iaq s ILE 836 Ca 0.02 -0.40 -0.05 0.00 -2.23 0.00 0.00 60.65 57.99 3iaq s ILE 836 Cb -0.15 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 3iaq s ILE 836 CO -0.10 0.37 -0.00 -0.89 -1.23 0.00 0.00 174.94 173.09 3iaq s THR 837 N 1.52 4.19 0.07 2.92 2.01 -0.71 -0.22 115.64 125.42 3iaq s THR 837 Ca 0.06 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.86 3iaq s THR 837 Cb -0.15 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 3iaq s THR 837 CO -0.01 0.48 -0.14 0.42 -0.69 0.00 0.00 174.62 174.68 3iaq s THR 838 N 0.37 1.10 -0.04 -0.82 -4.23 -0.04 -0.92 115.64 111.06 3iaq s THR 838 Ca -0.02 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3iaq s THR 838 Cb -0.14 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.67 3iaq s THR 838 CO 0.02 -0.19 -0.06 0.00 -0.54 0.00 0.00 174.62 173.85 3iaq s ALA 839 N -1.20 0.75 0.00 3.99 0.00 -0.04 -0.59 121.76 124.67 3iaq s ALA 839 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.87 3iaq s ALA 839 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3iaq s ALA 839 CO 0.02 0.02 -0.13 -1.01 0.00 0.00 0.00 175.76 174.66 3iaq s HIS 840 N 0.81 1.16 -0.03 0.00 3.76 0.62 -0.06 115.29 121.55 3iaq s HIS 840 Ca -0.12 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.61 3iaq s HIS 840 Cb -0.14 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 3iaq s HIS 840 CO 0.01 -0.01 -0.21 0.00 -0.85 0.00 0.00 174.74 173.68 3iaq s ALA 841 N -0.42 2.40 -0.33 -1.40 0.00 -0.16 -0.27 121.76 121.58 3iaq s ALA 841 Ca 0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 3iaq s ALA 841 Cb -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3iaq s ALA 841 CO -0.00 0.54 0.14 -1.58 0.00 0.00 0.00 175.76 174.86 3iaq s TRP 842 N -0.68 3.21 0.03 0.00 0.51 0.15 -0.22 118.94 121.94 3iaq s TRP 842 Ca 0.11 -1.00 0.07 0.00 -2.12 0.00 0.00 56.10 53.16 3iaq s TRP 842 Cb -0.10 -2.34 -0.03 0.00 -0.81 0.00 0.00 33.47 30.19 3iaq s TRP 842 CO 0.00 -0.61 -0.17 -0.65 -0.51 0.00 0.00 176.95 175.01 3iaq s GLN 843 N 1.52 2.13 -0.10 4.98 -0.21 -1.17 0.15 119.66 126.95 3iaq s GLN 843 Ca 0.02 -0.95 -0.04 0.00 0.02 0.00 0.00 55.36 54.41 3iaq s GLN 843 Cb -0.18 -2.23 0.05 0.00 1.00 0.00 0.00 33.01 31.66 3iaq s GLN 843 CO 0.05 0.55 0.21 -1.58 -2.12 0.00 0.00 175.29 172.39 3iaq s HIS 844 N -0.93 -0.30 -1.33 0.91 2.46 0.27 -3.56 115.29 112.82 3iaq s HIS 844 Ca 0.15 0.78 -0.03 0.00 0.47 0.00 0.00 55.06 56.43 3iaq s HIS 844 Cb -0.11 -0.14 -0.00 0.00 -0.13 0.00 0.00 32.58 32.21 3iaq s HIS 844 CO 0.05 -0.30 0.59 1.04 -2.47 0.00 0.00 174.74 173.65 3iaq n GLN 845 N 5.23 -3.73 -0.88 2.88 6.02 -1.26 -1.91 117.38 123.72 3iaq n GLN 845 Ca -0.07 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 3iaq n GLN 845 Cb 0.50 -4.78 0.00 0.00 1.02 0.00 0.00 30.24 26.98 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 -1.76 0.40 3.58 1.08 0.00 -1.26 -4.98 105.19 102.25 3iaq n GLY 846 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.70 3.89 -0.34 1.61 2.47 -0.80 -5.07 119.74 120.81 3iaq s LYS 847 Ca 0.00 -0.37 -0.28 0.00 -1.56 0.00 0.00 55.97 53.76 3iaq s LYS 847 Cb 0.00 -3.30 0.01 0.00 -1.46 0.00 0.00 37.83 33.08 3iaq s LYS 847 CO 0.00 0.10 1.01 0.99 0.16 0.00 0.00 175.35 177.60 3iaq s THR 848 N 0.86 4.55 -0.16 3.43 2.01 -1.26 -0.56 115.64 124.51 3iaq s THR 848 Ca 0.04 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.42 3iaq s THR 848 Cb -0.14 -4.37 -0.11 0.00 0.01 0.00 0.00 72.50 67.90 3iaq s THR 848 CO 0.03 -0.48 0.10 -0.07 -0.69 0.00 0.00 174.62 173.50 3iaq h LEU 849 N 10.05 0.00 -7.95 4.42 3.38 0.97 -3.42 115.31 122.75 3iaq h LEU 849 Ca -0.22 -0.29 -0.40 0.00 0.09 0.00 0.00 57.88 57.07 3iaq h LEU 849 Cb 1.07 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.52 3iaq h LEU 849 CO 1.01 1.00 -0.78 -0.36 0.09 0.00 0.00 178.44 179.40 3iaq s PHE 850 N -2.18 0.79 -0.17 1.13 0.08 -1.19 -1.82 117.98 114.63 3iaq s PHE 850 Ca -0.18 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 3iaq s PHE 850 Cb 0.02 -0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 3iaq s PHE 850 CO 0.37 -0.07 -0.08 0.42 -0.10 0.00 0.00 175.22 175.76 3iaq s ILE 851 N 0.09 3.34 -0.18 0.64 1.01 -0.59 0.33 121.20 125.84 3iaq s ILE 851 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 3iaq s ILE 851 Cb -0.06 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.95 3iaq s ILE 851 CO 0.00 0.48 -0.15 -0.55 0.00 0.00 0.00 174.94 174.72 3iaq s SER 852 N 0.79 3.54 -0.18 3.58 0.15 0.63 -0.19 113.70 122.02 3iaq s SER 852 Ca -0.03 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.07 3iaq s SER 852 Cb -0.15 -1.56 -0.00 0.00 -1.71 0.00 0.00 66.02 62.60 3iaq s SER 852 CO 0.01 0.01 -0.13 -0.13 1.20 0.00 0.00 173.24 174.21 3iaq s ARG 853 N 1.23 3.23 0.13 5.44 0.52 0.82 -0.28 118.95 130.06 3iaq s ARG 853 Ca 0.03 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 3iaq s ARG 853 Cb -0.14 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3iaq s ARG 853 CO -0.08 -0.07 -0.18 0.15 0.02 0.00 0.00 175.30 175.14 3iaq s LYS 854 N 1.06 1.17 0.04 3.54 1.02 0.25 -0.37 119.74 126.45 3iaq s LYS 854 Ca -0.00 -1.28 0.06 0.00 0.02 0.00 0.00 55.97 54.77 3iaq s LYS 854 Cb -0.15 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 3iaq s LYS 854 CO -0.03 0.27 -0.18 0.95 -0.92 0.00 0.00 175.35 175.44 3iaq s THR 855 N -1.72 1.43 -0.14 2.17 -4.23 -0.84 -0.86 115.64 111.45 3iaq s THR 855 Ca 0.11 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 3iaq s THR 855 Cb -0.07 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.52 3iaq s THR 855 CO 0.05 0.11 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.76 3iaq s TYR 856 N -0.83 2.31 -0.43 3.99 1.51 0.69 -1.67 117.35 122.93 3iaq s TYR 856 Ca 0.05 -1.23 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 3iaq s TYR 856 Cb -0.08 -1.64 0.12 0.00 -0.11 0.00 0.00 41.96 40.24 3iaq s TYR 856 CO 0.02 -0.62 0.16 0.50 -1.11 0.00 0.00 175.55 174.50 3iaq s ARG 857 N 1.17 1.62 -0.38 -0.62 3.52 0.39 -1.60 118.95 123.05 3iaq s ARG 857 Ca -0.01 -2.15 -0.20 0.00 -0.13 0.00 0.00 55.73 53.24 3iaq s ARG 857 Cb -0.14 -3.07 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3iaq s ARG 857 CO -0.07 -1.04 0.59 0.42 -0.81 0.00 0.00 175.30 174.39 3iaq s ILE 858 N 0.38 4.92 0.27 4.11 1.01 -1.10 -1.03 121.20 129.77 3iaq s ILE 858 Ca 0.14 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.13 3iaq s ILE 858 Cb -0.22 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.20 3iaq s ILE 858 CO -0.05 -0.37 0.27 -0.90 0.00 0.00 0.00 174.94 173.89 3iaq n ASP 859 N 5.98 1.50 0.16 3.58 5.68 -0.98 -2.24 116.55 130.25 3iaq n ASP 859 Ca -0.03 -1.83 0.12 0.00 -0.50 0.00 0.00 54.79 52.55 3iaq n ASP 859 Cb 0.48 -0.09 0.59 0.00 -1.14 0.00 0.00 41.12 40.96 3iaq n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3iaq h GLY 860 N 0.21 0.00 1.13 6.12 0.00 -1.70 -1.28 103.07 107.55 3iaq h GLY 860 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3iaq h GLY 860 CO 0.23 0.00 -0.19 -1.14 0.00 0.00 0.00 176.54 175.44 3iaq n SER 861 N -2.30 0.41 0.00 0.19 3.41 -1.26 -4.42 113.62 109.65 3iaq n SER 861 Ca -0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3iaq n SER 861 Cb 0.10 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3iaq n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iaq n GLY 862 N 1.39 0.79 3.79 5.00 0.00 -0.48 -5.00 105.19 110.68 3iaq n GLY 862 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.39 4.33 -0.37 1.61 -0.21 -1.26 -4.73 119.66 118.65 3iaq s GLN 863 Ca 0.00 0.88 -0.09 0.00 0.02 0.00 0.00 55.36 56.17 3iaq s GLN 863 Cb 0.00 -3.26 0.05 0.00 1.00 0.00 0.00 33.01 30.80 3iaq s GLN 863 CO 0.00 0.58 0.18 1.41 -2.12 0.00 0.00 175.29 175.34 3iaq s MET 864 N -0.99 2.68 -0.38 2.91 -2.45 0.17 -2.32 119.30 118.93 3iaq s MET 864 Ca 0.32 -1.22 -0.23 0.00 -1.25 0.00 0.00 55.69 53.31 3iaq s MET 864 Cb -0.20 -3.63 0.01 0.00 1.25 0.00 0.00 34.83 32.25 3iaq s MET 864 CO 0.21 -0.75 0.77 0.00 1.05 0.00 0.00 175.02 176.30 3iaq s ALA 865 N 1.46 3.41 -0.22 4.11 0.00 -0.20 -0.37 121.76 129.96 3iaq s ALA 865 Ca 0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3iaq s ALA 865 Cb -0.20 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3iaq s ALA 865 CO 0.04 -1.53 0.04 0.42 0.00 0.00 0.00 175.76 174.73 3iaq s ILE 866 N 3.09 4.27 -0.17 0.00 1.01 0.27 -0.46 121.20 129.22 3iaq s ILE 866 Ca 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 3iaq s ILE 866 Cb -0.13 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 3iaq s ILE 866 CO 0.17 0.40 -0.10 -0.89 0.00 0.00 0.00 174.94 174.52 3iaq s THR 867 N 1.10 3.11 -0.12 2.92 2.01 -0.67 0.48 115.64 124.47 3iaq s THR 867 Ca 0.03 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.43 3iaq s THR 867 Cb -0.14 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 3iaq s THR 867 CO 0.03 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 3iaq s VAL 868 N 0.86 2.72 -0.16 3.82 1.01 0.24 -1.99 120.40 126.91 3iaq s VAL 868 Ca -0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3iaq s VAL 868 Cb -0.15 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.15 3iaq s VAL 868 CO 0.00 0.53 -0.07 -1.81 0.00 0.00 0.00 175.10 173.76 3iaq s ASP 869 N 0.38 2.78 -0.08 3.32 1.11 0.50 -1.87 116.67 122.81 3iaq s ASP 869 Ca -0.13 -0.62 0.04 0.00 0.18 0.00 0.00 52.55 52.02 3iaq s ASP 869 Cb -0.17 -0.97 -0.01 0.00 1.07 0.00 0.00 42.92 42.84 3iaq s ASP 869 CO 0.06 -0.16 -0.21 -0.69 1.18 0.00 0.00 175.17 175.36 3iaq s VAL 870 N 1.60 2.42 -0.07 -1.27 1.01 0.80 -0.12 120.40 124.77 3iaq s VAL 870 Ca 0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3iaq s VAL 870 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3iaq s VAL 870 CO -0.08 0.56 0.12 -1.61 0.00 0.00 0.00 175.10 174.10 3iaq s GLU 871 N -0.05 3.33 -0.13 2.72 2.02 0.73 -0.51 118.70 126.81 3iaq s GLU 871 Ca -0.06 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.68 3iaq s GLU 871 Cb -0.14 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.04 3iaq s GLU 871 CO 0.05 0.73 -0.13 0.08 0.02 0.00 0.00 175.26 176.00 3iaq s VAL 872 N -1.11 1.44 0.05 2.63 1.01 0.62 -1.54 120.40 123.51 3iaq s VAL 872 Ca 0.19 -0.57 -0.35 0.00 0.00 0.00 0.00 61.98 61.25 3iaq s VAL 872 Cb -0.12 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.77 3iaq s VAL 872 CO 0.09 0.44 1.65 0.00 0.00 0.00 0.00 175.10 177.28 3iaq n ALA 873 N 4.59 0.82 0.13 5.51 0.00 -0.75 -4.64 120.51 126.18 3iaq n ALA 873 Ca -0.17 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.72 3iaq n ALA 873 Cb 0.50 -2.35 0.50 0.00 0.00 0.00 0.00 19.45 18.10 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 6.84 0.22 -0.45 0.00 4.64 -1.94 -1.94 113.55 120.93 3iaq h SER 874 Ca -0.46 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 3iaq h SER 874 Cb 1.27 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3iaq h SER 874 CO 0.90 0.22 0.04 -0.90 -0.87 0.00 0.00 176.83 176.22 3iaq n ASP 875 N -4.44 4.38 -4.72 4.97 5.75 -1.26 -4.85 116.55 116.38 3iaq n ASP 875 Ca -0.00 -2.72 -0.33 0.00 -0.01 0.00 0.00 54.79 51.72 3iaq n ASP 875 Cb 0.13 -0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 39.49 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 -2.30 4.45 0.26 2.12 -1.32 -0.73 -5.08 115.64 113.04 3iaq s THR 876 Ca 0.40 -0.42 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 3iaq s THR 876 Cb 0.31 -2.97 -0.14 0.00 -1.51 0.00 0.00 72.50 68.19 3iaq s THR 876 CO 0.11 0.43 1.24 -0.81 -2.21 0.00 0.00 174.62 173.38 3iaq n PRO 877 N 1.53 1.73 -1.70 7.08 -0.04 -1.26 -4.86 135.00 137.47 3iaq n PRO 877 Ca -0.15 0.61 -0.43 0.00 -0.04 0.00 0.00 63.50 63.49 3iaq n PRO 877 Cb 0.53 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 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 1.06 2.60 -1.72 0.54 8.25 -1.26 -4.93 115.22 119.75 3iaq n HIS 878 Ca 0.10 0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 3iaq n HIS 878 Cb 0.31 -2.66 0.06 0.00 1.12 0.00 0.00 29.99 28.83 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 1.53 2.57 0.26 -0.41 0.04 -1.26 -4.84 135.00 132.89 3iaq s PRO 879 Ca 0.78 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 63.62 3iaq s PRO 879 Cb -0.55 -1.88 0.34 0.00 0.04 0.00 0.00 34.50 32.45 3iaq s PRO 879 CO 0.35 -1.52 1.70 0.00 0.04 0.00 0.00 177.00 177.57 3iaq h ALA 880 N 0.31 1.04 -2.83 8.56 0.00 -1.90 -3.40 119.26 121.03 3iaq h ALA 880 Ca -0.49 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 3iaq h ALA 880 Cb 1.30 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 3iaq h ALA 880 CO 0.53 0.58 0.00 -0.98 0.00 0.00 0.00 179.25 179.38 3iaq s ARG 881 N -4.59 1.19 -0.25 0.00 1.70 -1.19 -0.38 118.95 115.44 3iaq s ARG 881 Ca -0.08 -0.72 -0.02 0.00 -0.47 0.00 0.00 55.73 54.44 3iaq s ARG 881 Cb 0.14 0.50 0.08 0.00 -0.57 0.00 0.00 34.95 35.10 3iaq s ARG 881 CO 0.81 -0.49 0.07 0.42 -1.08 0.00 0.00 175.30 175.03 3iaq s ILE 882 N -3.82 0.55 0.00 4.99 1.01 0.72 -4.21 121.20 120.43 3iaq s ILE 882 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3iaq s ILE 882 Cb 0.01 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.24 3iaq s ILE 882 CO -0.09 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.01 3iaq n GLY 883 N 5.01 2.26 3.40 6.18 0.00 -1.02 -0.72 105.19 120.31 3iaq n GLY 883 Ca -0.06 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 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 2.38 0.03 0.99 1.43 0.87 -1.43 118.68 122.95 3iaq s LEU 884 Ca 0.00 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3iaq s LEU 884 Cb 0.00 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3iaq s LEU 884 CO 0.00 0.15 -0.04 0.54 0.23 0.00 0.00 176.35 177.23 3iaq s ASN 885 N -2.37 0.44 0.13 2.29 4.22 0.11 -1.37 114.94 118.39 3iaq s ASN 885 Ca 0.17 -0.61 -0.23 0.00 -2.14 0.00 0.00 52.86 50.05 3iaq s ASN 885 Cb -0.09 0.10 0.07 0.00 1.28 0.00 0.00 41.25 42.61 3iaq s ASN 885 CO 0.08 -0.34 0.59 0.00 -2.04 0.00 0.00 177.10 175.40 3iaq s GLN 887 N -3.46 2.94 0.49 0.00 0.74 -1.24 -1.19 119.66 117.95 3iaq s GLN 887 Ca -0.00 -0.98 -0.19 0.00 0.05 0.00 0.00 55.36 54.24 3iaq s GLN 887 Cb -0.01 -3.54 -0.08 0.00 1.10 0.00 0.00 33.01 30.48 3iaq s GLN 887 CO -0.10 -0.57 1.01 -0.51 -0.55 0.00 0.00 175.29 174.56 3iaq s LEU 888 N 1.51 3.78 0.24 3.68 1.43 0.20 0.98 118.68 130.51 3iaq s LEU 888 Ca 0.02 1.78 0.12 0.00 -1.03 0.00 0.00 54.13 55.02 3iaq s LEU 888 Cb -0.18 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.64 3iaq s LEU 888 CO 0.05 -0.69 1.48 0.00 0.23 0.00 0.00 176.35 177.42 3iaq h ALA 889 N 1.38 0.69 -2.95 4.21 0.00 -1.07 -0.45 119.26 121.07 3iaq h ALA 889 Ca -0.48 -0.63 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 3iaq h ALA 889 Cb 1.20 -0.11 0.12 0.00 0.00 0.00 0.00 17.79 19.00 3iaq h ALA 889 CO 0.60 0.86 0.62 -1.14 0.00 0.00 0.00 179.25 180.19 3iaq s GLN 890 N -3.15 3.48 -0.41 0.00 2.00 -1.26 -4.37 119.66 115.96 3iaq s GLN 890 Ca 0.01 2.22 0.01 0.00 -2.00 0.00 0.00 55.36 55.61 3iaq s GLN 890 Cb 0.10 -2.46 0.13 0.00 0.80 0.00 0.00 33.01 31.58 3iaq s GLN 890 CO 0.77 -0.91 0.21 0.08 -0.50 0.00 0.00 175.29 174.94 3iaq s VAL 891 N -1.30 1.14 0.44 1.34 1.01 -1.26 -2.98 120.40 118.79 3iaq s VAL 891 Ca 0.66 -2.26 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 3iaq s VAL 891 Cb -0.40 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3iaq s VAL 891 CO 0.49 -0.88 0.70 0.00 0.00 0.00 0.00 175.10 175.41 3iaq s ALA 892 N 0.65 3.53 -0.13 5.51 0.00 -1.26 -5.02 121.76 125.04 3iaq s ALA 892 Ca 0.16 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 51.56 3iaq s ALA 892 Cb -0.23 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 3iaq s ALA 892 CO -0.03 -0.28 1.10 0.93 0.00 0.00 0.00 175.76 177.48 3iaq h GLU 893 N 0.39 0.00 -5.59 0.00 5.08 -2.01 -3.44 114.58 109.01 3iaq h GLU 893 Ca -0.48 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.43 3iaq h GLU 893 Cb 1.22 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.28 3iaq h GLU 893 CO 0.61 0.40 -0.78 1.03 -1.00 0.00 0.00 179.01 179.28 3iaq s ARG 894 N -2.93 1.03 -0.14 2.33 1.81 -1.26 -2.63 118.95 117.16 3iaq s ARG 894 Ca 0.00 -1.20 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 3iaq s ARG 894 Cb 0.08 -1.02 0.02 0.00 -0.45 0.00 0.00 34.95 33.59 3iaq s ARG 894 CO 0.78 0.21 -0.12 0.08 -0.68 0.00 0.00 175.30 175.57 3iaq s VAL 895 N -1.82 1.42 -0.11 3.52 1.01 0.11 -4.63 120.40 119.90 3iaq s VAL 895 Ca 0.07 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3iaq s VAL 895 Cb -0.07 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3iaq s VAL 895 CO 0.04 0.42 -0.19 0.21 0.00 0.00 0.00 175.10 175.58 3iaq s ASN 896 N 1.55 3.53 0.06 3.32 3.84 -1.02 -1.57 114.94 124.65 3iaq s ASN 896 Ca 0.05 -0.44 -0.12 0.00 0.21 0.00 0.00 52.86 52.56 3iaq s ASN 896 Cb -0.13 -1.43 0.01 0.00 -0.55 0.00 0.00 41.25 39.16 3iaq s ASN 896 CO -0.10 0.18 0.27 -1.66 -2.79 0.00 0.00 177.10 173.00 3iaq s TRP 897 N 0.25 -0.04 -0.37 0.43 -2.14 -0.32 0.66 118.94 117.41 3iaq s TRP 897 Ca -0.13 -0.21 -0.04 0.00 2.66 0.00 0.00 56.10 58.39 3iaq s TRP 897 Cb -0.16 0.06 0.08 0.00 -3.10 0.00 0.00 33.47 30.35 3iaq s TRP 897 CO 0.07 -0.53 0.14 -1.17 -2.66 0.00 0.00 176.95 172.79 3iaq s LEU 898 N -2.36 4.72 0.00 -4.66 2.96 0.40 -0.83 118.68 118.92 3iaq s LEU 898 Ca -0.01 -1.63 0.00 0.00 -0.22 0.00 0.00 54.13 52.26 3iaq s LEU 898 Cb 0.01 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3iaq s LEU 898 CO -0.06 -0.43 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 3iaq n GLY 899 N 4.67 -0.58 3.73 7.98 0.00 -0.79 -0.28 105.19 119.91 3iaq n GLY 899 Ca -0.08 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 4.46 0.00 0.99 1.43 -1.01 -1.52 118.68 123.03 3iaq s LEU 900 Ca 0.00 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3iaq s LEU 900 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3iaq s LEU 900 CO 0.00 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.93 3iaq n GLY 901 N 2.33 0.77 0.18 -3.19 0.00 -0.60 -4.46 105.19 100.22 3iaq n GLY 901 Ca 0.04 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -7.25 1.61 0.13 -1.93 0.13 132.00 124.69 3iaq h PRO 902 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 3iaq h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3iaq h PRO 902 CO 0.00 0.00 0.23 -0.65 -0.23 0.00 0.00 178.00 177.35 3iaq s GLN 903 N -3.18 2.59 0.15 0.86 -0.21 -1.26 -5.00 119.66 113.62 3iaq s GLN 903 Ca 0.08 -0.04 -0.34 0.00 0.02 0.00 0.00 55.36 55.08 3iaq s GLN 903 Cb 0.08 -2.19 -0.15 0.00 1.00 0.00 0.00 33.01 31.75 3iaq s GLN 903 CO 0.64 -0.98 1.46 -1.91 -2.12 0.00 0.00 175.29 172.37 3iaq n GLU 904 N -2.79 1.79 -3.88 2.91 2.13 -1.26 -4.89 120.64 114.65 3iaq n GLU 904 Ca 0.06 0.64 -0.11 0.00 0.66 0.00 0.00 57.16 58.41 3iaq n GLU 904 Cb 0.59 -2.34 -0.11 0.00 0.27 0.00 0.00 31.44 29.84 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 0.63 0.01 0.24 4.31 2.20 0.74 -4.89 114.94 118.19 3iaq s ASN 905 Ca 0.78 -0.09 0.06 0.00 -0.94 0.00 0.00 52.86 52.68 3iaq s ASN 905 Cb -0.76 0.19 -0.05 0.00 -2.00 0.00 0.00 41.25 38.63 3iaq s ASN 905 CO 0.43 -0.22 -0.08 -0.31 -2.94 0.00 0.00 177.10 173.98 3iaq s TYR 906 N -0.80 1.77 0.24 1.54 1.51 -0.53 -3.75 117.35 117.32 3iaq s TYR 906 Ca -0.09 -0.70 -0.07 0.00 -1.01 0.00 0.00 57.07 55.20 3iaq s TYR 906 Cb -0.05 -0.95 0.43 0.00 -0.11 0.00 0.00 41.96 41.28 3iaq s TYR 906 CO 0.00 0.24 1.65 -1.35 -1.11 0.00 0.00 175.55 174.99 3iaq h PRO 907 N 2.43 0.14 -0.63 -1.71 0.11 -1.86 0.32 132.00 130.80 3iaq h PRO 907 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3iaq h PRO 907 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iaq h PRO 907 CO 0.65 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 3iaq n ASP 908 N -5.28 3.39 -2.85 -2.05 5.75 -1.26 -4.35 116.55 109.89 3iaq n ASP 908 Ca 0.13 -2.36 -0.12 0.00 -0.01 0.00 0.00 54.79 52.44 3iaq n ASP 908 Cb 0.46 -0.50 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.57 0.76 -0.38 0.11 0.63 0.11 0.44 116.66 118.90 3iaq n ARG 909 Ca 0.17 -2.07 0.00 0.00 -0.92 0.00 0.00 57.85 55.03 3iaq n ARG 909 Cb 0.67 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 1.59 0.07 0.07 6.15 -0.00 -1.01 -1.46 117.00 122.41 3iaq n LEU 910 Ca 0.12 -0.84 -0.14 0.00 -0.00 0.00 0.00 56.01 55.14 3iaq n LEU 910 Cb 0.61 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.97 3iaq n LEU 910 CO 0.07 0.21 0.17 0.71 -0.00 0.00 0.00 177.39 178.55 3iaq h THR 911 N 5.94 1.39 -0.40 1.47 1.35 -1.92 -3.25 112.91 117.48 3iaq h THR 911 Ca 0.00 -2.44 -0.11 0.00 -0.55 0.00 0.00 66.41 63.31 3iaq h THR 911 Cb 1.30 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 70.12 3iaq h THR 911 CO 0.00 0.73 -0.20 0.00 -0.25 0.00 0.00 175.52 175.79 3iaq h ALA 912 N 0.71 0.89 -2.87 6.62 0.00 -1.87 -3.45 119.26 119.29 3iaq h ALA 912 Ca -0.08 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 3iaq h ALA 912 Cb 1.59 -0.16 0.08 0.00 0.00 0.00 0.00 17.79 19.31 3iaq h ALA 912 CO 0.17 0.63 0.61 0.00 0.00 0.00 0.00 179.25 180.66 3iaq s ALA 913 N -4.64 3.28 -0.05 0.00 0.00 -1.23 -4.99 121.76 114.13 3iaq s ALA 913 Ca -0.09 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.12 3iaq s ALA 913 Cb 0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3iaq s ALA 913 CO 0.83 -0.79 -0.11 0.00 0.00 0.00 0.00 175.76 175.69 3iaq s PHE 915 N -0.77 2.35 0.17 0.00 5.36 -1.26 -1.55 117.98 122.28 3iaq s PHE 915 Ca 0.12 0.66 -0.22 0.00 -0.96 0.00 0.00 56.93 56.53 3iaq s PHE 915 Cb -0.11 -3.88 0.08 0.00 -0.34 0.00 0.00 43.02 38.77 3iaq s PHE 915 CO 0.01 -2.54 1.05 -3.47 -1.46 0.00 0.00 175.22 168.82 3iaq n ASP 916 N 7.81 -1.71 -4.64 6.13 -0.08 -0.58 -4.93 116.55 118.55 3iaq n ASP 916 Ca 0.17 -1.88 -0.41 0.00 -1.51 0.00 0.00 54.79 51.16 3iaq n ASP 916 Cb 0.45 2.78 -0.05 0.00 2.34 0.00 0.00 41.12 46.64 3iaq n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3iaq s ARG 917 N -2.05 4.18 0.09 -0.67 6.06 -1.26 -1.89 118.95 123.41 3iaq s ARG 917 Ca 0.23 0.78 0.10 0.00 -2.50 0.00 0.00 55.73 54.34 3iaq s ARG 917 Cb -0.03 -3.62 -0.03 0.00 0.06 0.00 0.00 34.95 31.32 3iaq s ARG 917 CO 0.05 -0.41 -0.27 -1.58 -2.50 0.00 0.00 175.30 170.60 3iaq s TRP 918 N 2.48 2.32 -0.05 5.12 0.52 -0.01 -5.00 118.94 124.31 3iaq s TRP 918 Ca 0.32 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.02 3iaq s TRP 918 Cb -0.16 -1.32 0.03 0.00 -1.15 0.00 0.00 33.47 30.87 3iaq s TRP 918 CO 0.09 0.24 0.05 0.34 0.02 0.00 0.00 176.95 177.69 3iaq s ASP 919 N -1.66 1.30 0.05 2.95 -1.08 -1.26 -1.18 116.67 115.79 3iaq s ASP 919 Ca 0.13 0.01 0.01 0.00 -0.52 0.00 0.00 52.55 52.18 3iaq s ASP 919 Cb -0.10 -0.20 -0.03 0.00 -1.46 0.00 0.00 42.92 41.13 3iaq s ASP 919 CO 0.04 -0.25 -0.06 -0.76 0.52 0.00 0.00 175.17 174.67 3iaq s LEU 920 N 2.13 2.33 0.59 -1.34 1.43 -0.61 -4.98 118.68 118.24 3iaq s LEU 920 Ca 0.05 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.27 3iaq s LEU 920 Cb -0.12 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 3iaq s LEU 920 CO -0.04 -0.34 1.25 -2.16 0.23 0.00 0.00 176.35 175.29 3iaq s PRO 921 N -2.30 2.95 0.33 1.29 0.04 -1.26 0.07 135.00 136.11 3iaq s PRO 921 Ca -0.05 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.03 3iaq s PRO 921 Cb -0.05 -1.99 0.83 0.00 0.04 0.00 0.00 34.50 33.33 3iaq s PRO 921 CO -0.02 -1.25 1.79 1.25 0.04 0.00 0.00 177.00 178.80 3iaq h LEU 922 N 0.98 0.69 -1.60 -3.56 5.85 -1.80 -1.83 115.31 114.05 3iaq h LEU 922 Ca -0.51 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3iaq h LEU 922 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3iaq h LEU 922 CO 0.55 0.23 0.06 0.77 -0.34 0.00 0.00 178.44 179.72 3iaq h SER 923 N 0.67 0.28 0.70 1.25 4.64 -1.91 -1.15 113.55 118.03 3iaq h SER 923 Ca 0.57 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3iaq h SER 923 Cb 1.01 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3iaq h SER 923 CO -0.35 0.29 0.00 0.44 -0.87 0.00 0.00 176.83 176.34 3iaq h ASP 924 N 0.32 0.00 -0.02 4.97 5.19 -1.70 -1.82 116.42 123.36 3iaq h ASP 924 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3iaq h ASP 924 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3iaq h ASP 924 CO -0.00 0.00 0.00 0.23 -3.12 0.00 0.00 179.24 176.35 3iaq n MET 925 N -3.00 1.27 -4.99 3.56 2.81 -0.44 -4.70 117.12 111.63 3iaq n MET 925 Ca -0.00 -0.40 -0.32 0.00 -1.81 0.00 0.00 57.70 55.17 3iaq n MET 925 Cb 0.23 -1.46 -0.14 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.98 2.62 -0.28 2.03 5.04 -0.69 -4.36 117.35 119.73 3iaq s TYR 926 Ca 0.41 -0.30 -0.06 0.00 -2.44 0.00 0.00 57.07 54.69 3iaq s TYR 926 Cb 0.20 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.90 3iaq s TYR 926 CO 0.33 0.08 0.05 0.99 -1.34 0.00 0.00 175.55 175.65 3iaq s THR 927 N -0.57 3.72 -1.27 4.34 2.01 -1.26 -4.96 115.64 117.65 3iaq s THR 927 Ca 0.08 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 3iaq s THR 927 Cb -0.11 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3iaq s THR 927 CO 0.01 0.13 2.31 -0.81 -0.69 0.00 0.00 174.62 175.56 3iaq n PRO 928 N 4.82 2.64 -1.99 4.92 -0.04 -1.26 -4.90 135.00 139.19 3iaq n PRO 928 Ca -0.15 -2.19 -0.42 0.00 -0.04 0.00 0.00 63.50 60.70 3iaq n PRO 928 Cb 0.48 -2.99 -0.03 0.00 -0.04 0.00 0.00 33.50 30.92 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 3.40 2.79 0.20 0.54 2.02 -1.26 -4.90 117.35 120.14 3iaq s TYR 929 Ca 0.53 0.56 -0.12 0.00 -0.37 0.00 0.00 57.07 57.67 3iaq s TYR 929 Cb 0.14 -3.88 0.25 0.00 -0.40 0.00 0.00 41.96 38.07 3iaq s TYR 929 CO -0.03 -3.37 1.69 0.28 -1.57 0.00 0.00 175.55 172.55 3iaq h VAL 930 N 4.49 0.60 -3.24 0.71 2.07 -1.95 -3.04 116.25 115.89 3iaq h VAL 930 Ca -0.42 -0.06 -0.65 0.00 0.82 0.00 0.00 66.70 66.39 3iaq h VAL 930 Cb 1.20 0.42 -0.15 0.00 -1.52 0.00 0.00 31.29 31.23 3iaq h VAL 930 CO 0.91 0.03 0.28 0.12 0.02 0.00 0.00 177.57 178.93 3iaq s PHE 931 N -6.14 2.94 0.47 1.57 5.36 -1.26 0.08 117.98 121.00 3iaq s PHE 931 Ca -0.13 -0.29 -0.24 0.00 -0.96 0.00 0.00 56.93 55.30 3iaq s PHE 931 Cb 0.17 -3.77 -0.07 0.00 -0.34 0.00 0.00 43.02 39.01 3iaq s PHE 931 CO 0.73 -1.17 1.30 -2.14 -1.46 0.00 0.00 175.22 172.48 3iaq s PRO 932 N 3.21 3.62 0.06 10.12 0.02 -1.15 -4.97 135.00 145.93 3iaq s PRO 932 Ca 0.22 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.34 3iaq s PRO 932 Cb -0.16 -2.50 0.01 0.00 0.02 0.00 0.00 34.50 31.87 3iaq s PRO 932 CO 0.15 -0.77 0.12 -1.13 -0.33 0.00 0.00 177.00 175.05 3iaq n SER 933 N -0.43 -0.35 -4.67 2.53 3.41 -1.26 -4.72 113.62 108.12 3iaq n SER 933 Ca 0.07 -1.28 -0.45 0.00 -0.26 0.00 0.00 58.87 56.94 3iaq n SER 933 Cb 0.45 0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 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 -0.09 2.15 -3.70 4.33 4.07 -0.68 -4.96 120.64 121.76 3iaq n GLU 934 Ca -0.01 0.77 -0.06 0.00 -0.06 0.00 0.00 57.16 57.80 3iaq n GLU 934 Cb 0.10 -2.52 -0.02 0.00 -0.06 0.00 0.00 31.44 28.95 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 0.75 -0.28 0.00 4.31 2.20 -1.26 -4.90 114.94 115.75 3iaq s ASN 935 Ca 0.76 -0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.32 3iaq s ASN 935 Cb -0.66 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.15 3iaq s ASN 935 CO 0.41 -1.01 0.00 0.61 -2.94 0.00 0.00 177.10 174.17 3iaq n GLY 936 N -0.42 0.57 3.78 0.45 0.00 -1.26 -4.83 105.19 103.47 3iaq n GLY 936 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 3.93 -0.01 0.99 2.96 -1.26 -4.53 118.68 120.76 3iaq s LEU 937 Ca 0.00 2.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.08 3iaq s LEU 937 Cb 0.00 -4.38 -0.01 0.00 0.50 0.00 0.00 46.19 42.30 3iaq s LEU 937 CO 0.00 -0.88 -0.10 -0.13 -1.32 0.00 0.00 176.35 173.91 3iaq s ARG 938 N -2.92 0.90 0.43 1.98 3.00 0.20 -0.18 118.95 122.36 3iaq s ARG 938 Ca 0.66 -0.36 0.08 0.00 0.00 0.00 0.00 55.73 56.10 3iaq s ARG 938 Cb -0.24 -0.86 -0.01 0.00 0.00 0.00 0.00 34.95 33.84 3iaq s ARG 938 CO 0.28 0.20 0.38 0.00 0.00 0.00 0.00 175.30 176.17 3iaq n GLY 940 N -1.57 0.21 3.71 0.00 0.00 -1.15 -2.40 105.19 103.99 3iaq n GLY 940 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.83 4.96 -0.07 2.61 2.01 -0.33 -4.27 115.64 117.72 3iaq s THR 941 Ca 0.00 1.67 0.19 0.00 0.31 0.00 0.00 61.69 63.86 3iaq s THR 941 Cb 0.00 -4.14 -0.28 0.00 0.01 0.00 0.00 72.50 68.08 3iaq s THR 941 CO 0.00 0.18 0.33 0.54 -0.69 0.00 0.00 174.62 174.98 3iaq n ARG 942 N 4.07 0.72 -3.73 4.92 5.12 0.61 -1.07 116.66 127.30 3iaq n ARG 942 Ca 0.02 -0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 55.69 3iaq n ARG 942 Cb 0.51 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.23 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 -3.10 0.39 -0.04 5.56 2.12 -1.20 -1.58 118.70 120.85 3iaq s GLU 943 Ca -0.08 0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.90 3iaq s GLU 943 Cb 0.11 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.59 3iaq s GLU 943 CO 0.80 -0.10 -0.11 -1.17 -0.54 0.00 0.00 175.26 174.13 3iaq s LEU 944 N 0.76 1.79 -0.11 2.70 2.96 -0.30 -0.45 118.68 126.03 3iaq s LEU 944 Ca -0.05 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3iaq s LEU 944 Cb -0.06 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 45.95 3iaq s LEU 944 CO -0.05 0.08 -0.21 0.20 -1.32 0.00 0.00 176.35 175.05 3iaq s ASN 945 N 0.23 2.84 -0.21 3.68 0.01 0.21 -1.36 114.94 120.35 3iaq s ASN 945 Ca -0.05 -0.52 -0.04 0.00 -0.71 0.00 0.00 52.86 51.54 3iaq s ASN 945 Cb -0.10 -1.30 0.11 0.00 0.41 0.00 0.00 41.25 40.36 3iaq s ASN 945 CO 0.01 0.10 0.33 -0.47 -1.51 0.00 0.00 177.10 175.56 3iaq s TYR 946 N 0.61 -0.64 0.00 2.20 5.04 -0.75 -2.45 117.35 121.37 3iaq s TYR 946 Ca -0.13 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 3iaq s TYR 946 Cb -0.17 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.11 3iaq s TYR 946 CO 0.04 -0.61 0.00 0.41 -1.34 0.00 0.00 175.55 174.05 3iaq n GLY 947 N 5.36 3.99 0.06 8.97 0.00 -1.26 -1.13 105.19 121.18 3iaq n GLY 947 Ca -0.05 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 14.00 0.18 -2.99 1.61 -0.04 -1.26 -4.91 135.00 141.59 3iaq n PRO 948 Ca 0.00 0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 63.21 3iaq n PRO 948 Cb 0.00 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 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 3.73 -0.04 0.54 3.76 -0.28 -0.34 115.29 119.57 3iaq s HIS 949 Ca 0.11 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.59 3iaq s HIS 949 Cb 0.15 -2.74 0.02 0.00 1.11 0.00 0.00 32.58 31.12 3iaq s HIS 949 CO 0.61 0.35 -0.08 -1.14 -0.85 0.00 0.00 174.74 173.63 3iaq s GLN 950 N -1.78 1.08 -0.09 1.40 0.74 -0.19 -1.80 119.66 119.03 3iaq s GLN 950 Ca 0.43 -0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.64 3iaq s GLN 950 Cb -0.19 -0.99 -0.01 0.00 1.10 0.00 0.00 33.01 32.92 3iaq s GLN 950 CO 0.23 -0.01 -0.18 -1.58 -0.55 0.00 0.00 175.29 173.20 3iaq s TRP 951 N 0.67 2.65 0.04 1.67 0.51 -0.46 -1.37 118.94 122.65 3iaq s TRP 951 Ca -0.11 -0.61 0.05 0.00 -2.12 0.00 0.00 56.10 53.32 3iaq s TRP 951 Cb -0.13 -1.71 -0.02 0.00 -0.81 0.00 0.00 33.47 30.79 3iaq s TRP 951 CO 0.01 -0.15 -0.15 1.03 -0.51 0.00 0.00 176.95 177.18 3iaq s ARG 952 N -0.04 1.00 0.00 4.98 0.52 0.37 -1.15 118.95 124.63 3iaq s ARG 952 Ca -0.05 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3iaq s ARG 952 Cb -0.14 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.30 3iaq s ARG 952 CO 0.04 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3iaq n GLY 953 N 1.87 -0.26 2.59 -3.53 0.00 -0.62 -0.63 105.19 104.61 3iaq n GLY 953 Ca -0.18 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 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 0.86 0.35 1.61 2.15 -1.25 -4.19 116.67 112.20 3iaq s ASP 954 Ca 0.00 -2.27 0.04 0.00 0.43 0.00 0.00 52.55 50.75 3iaq s ASP 954 Cb 0.00 0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.94 3iaq s ASP 954 CO 0.00 -0.18 0.18 0.72 -0.17 0.00 0.00 175.17 175.72 3iaq s PHE 955 N 0.72 1.70 0.06 -5.34 -0.12 -0.23 -4.86 117.98 109.92 3iaq s PHE 955 Ca 0.26 -1.42 0.10 0.00 -0.05 0.00 0.00 56.93 55.82 3iaq s PHE 955 Cb -0.05 -0.92 -0.03 0.00 -0.63 0.00 0.00 43.02 41.39 3iaq s PHE 955 CO -0.10 -0.54 -0.26 -0.65 -0.05 0.00 0.00 175.22 173.62 3iaq s GLN 956 N -3.68 1.74 -0.01 1.99 -1.52 0.79 -1.19 119.66 117.78 3iaq s GLN 956 Ca 0.33 -1.15 -0.09 0.00 -1.95 0.00 0.00 55.36 52.50 3iaq s GLN 956 Cb 0.03 -1.97 0.01 0.00 -0.22 0.00 0.00 33.01 30.87 3iaq s GLN 956 CO 0.19 0.50 0.19 -0.59 -0.25 0.00 0.00 175.29 175.33 3iaq s PHE 957 N -0.85 -0.05 0.18 0.91 -0.71 -0.37 0.40 117.98 117.50 3iaq s PHE 957 Ca 0.12 0.06 0.07 0.00 -1.04 0.00 0.00 56.93 56.14 3iaq s PHE 957 Cb -0.10 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 3iaq s PHE 957 CO 0.03 -0.28 -0.14 0.54 -1.34 0.00 0.00 175.22 174.02 3iaq s ASN 958 N -1.15 2.41 -0.19 1.98 2.20 -0.60 -0.63 114.94 118.97 3iaq s ASN 958 Ca -0.12 -0.98 -0.06 0.00 -0.94 0.00 0.00 52.86 50.76 3iaq s ASN 958 Cb -0.06 -0.11 0.09 0.00 -2.00 0.00 0.00 41.25 39.17 3iaq s ASN 958 CO 0.02 -0.18 0.38 -0.51 -2.94 0.00 0.00 177.10 173.87 3iaq s ILE 959 N -2.84 -0.59 0.28 0.54 2.07 -1.26 -1.64 121.20 117.75 3iaq s ILE 959 Ca 0.20 0.17 -0.21 0.00 -1.41 0.00 0.00 60.65 59.39 3iaq s ILE 959 Cb -0.01 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 41.97 3iaq s ILE 959 CO 0.05 0.06 0.73 -0.94 -1.91 0.00 0.00 174.94 172.93 3iaq s SER 960 N 2.56 -0.26 0.00 4.50 1.04 -0.87 -4.54 113.70 116.13 3iaq s SER 960 Ca 0.01 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 55.94 3iaq s SER 960 Cb -0.12 0.72 0.35 0.00 0.10 0.00 0.00 66.02 67.06 3iaq s SER 960 CO -0.12 -1.33 1.26 0.54 0.98 0.00 0.00 173.24 174.57 3iaq n ARG 961 N -0.46 1.55 -5.22 4.02 5.12 -1.26 -0.23 116.66 120.18 3iaq n ARG 961 Ca -0.04 -0.85 -0.32 0.00 -1.93 0.00 0.00 57.85 54.71 3iaq n ARG 961 Cb 0.59 -1.22 -0.17 0.00 -1.16 0.00 0.00 32.46 30.50 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 -1.71 2.55 0.67 -1.55 2.02 -1.26 -0.52 117.35 117.55 3iaq s TYR 962 Ca 0.19 -1.00 -0.11 0.00 -0.37 0.00 0.00 57.07 55.78 3iaq s TYR 962 Cb 0.10 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 3iaq s TYR 962 CO 0.14 -0.39 1.05 -1.54 -1.57 0.00 0.00 175.55 173.24 3iaq s SER 963 N 0.27 5.69 0.47 2.29 1.04 -1.26 -4.80 113.70 117.40 3iaq s SER 963 Ca -0.17 1.46 0.13 0.00 0.48 0.00 0.00 55.95 57.85 3iaq s SER 963 Cb -0.17 -2.40 1.07 0.00 0.10 0.00 0.00 66.02 64.62 3iaq s SER 963 CO 0.08 -1.23 2.08 1.56 0.98 0.00 0.00 173.24 176.71 3iaq h GLN 964 N -0.57 0.16 -0.20 4.02 1.08 -1.99 -2.32 115.11 115.29 3iaq h GLN 964 Ca -0.44 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 56.61 3iaq h GLN 964 Cb 1.21 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3iaq h GLN 964 CO 0.60 0.16 -0.38 0.37 -0.95 0.00 0.00 178.83 178.63 3iaq h GLN 965 N 0.16 0.60 -0.56 1.46 4.15 -1.99 -2.47 115.11 116.46 3iaq h GLN 965 Ca 0.04 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 58.98 3iaq h GLN 965 Cb 0.08 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3iaq h GLN 965 CO -0.00 1.00 -0.03 0.37 -1.93 0.00 0.00 178.83 178.24 3iaq h GLN 966 N 0.28 0.99 -0.57 1.69 4.15 -1.89 -2.83 115.11 116.93 3iaq h GLN 966 Ca 0.01 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 3iaq h GLN 966 Cb 0.98 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 3iaq h GLN 966 CO 0.08 0.99 0.20 -0.07 -1.93 0.00 0.00 178.83 178.11 3iaq h LEU 967 N 0.90 0.81 -0.21 -2.39 3.38 -1.42 -1.77 115.31 114.61 3iaq h LEU 967 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3iaq h LEU 967 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3iaq h LEU 967 CO 0.03 0.78 0.00 1.15 0.09 0.00 0.00 178.44 180.49 3iaq n MET 968 N -4.46 0.13 0.00 1.13 0.00 -0.93 -3.32 117.12 109.67 3iaq n MET 968 Ca 0.03 0.24 0.07 0.00 0.00 0.00 0.00 57.70 58.04 3iaq n MET 968 Cb 0.18 -1.70 -0.09 0.00 0.00 0.00 0.00 33.22 31.62 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 -1.94 1.93 -4.12 3.17 1.02 -1.06 -4.94 120.64 114.70 3iaq n GLU 969 Ca 0.04 -0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3iaq n GLU 969 Cb 0.30 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.44 4.62 -0.10 2.62 2.01 -0.69 -5.00 115.64 116.66 3iaq s THR 970 Ca 0.06 -0.10 0.16 0.00 0.31 0.00 0.00 61.69 62.11 3iaq s THR 970 Cb 0.12 -3.05 -0.19 0.00 0.01 0.00 0.00 72.50 69.38 3iaq s THR 970 CO 0.63 0.50 0.65 -1.54 -0.69 0.00 0.00 174.62 174.16 3iaq n SER 971 N 3.23 0.72 -4.14 3.53 3.41 -1.26 -4.30 113.62 114.81 3iaq n SER 971 Ca -0.17 0.33 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 3iaq n SER 971 Cb 0.53 0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 64.59 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 -2.77 1.37 0.37 7.33 3.76 -1.26 -4.24 115.29 119.86 3iaq s HIS 972 Ca -0.05 -0.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 3iaq s HIS 972 Cb 0.08 -0.87 0.77 0.00 1.11 0.00 0.00 32.58 33.67 3iaq s HIS 972 CO 0.82 -0.01 1.97 0.07 -0.85 0.00 0.00 174.74 176.75 3iaq h ARG 973 N 5.58 0.69 0.00 1.40 0.11 -0.53 -1.88 114.38 119.75 3iaq h ARG 973 Ca -0.36 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3iaq h ARG 973 Cb 1.16 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.08 3iaq h ARG 973 CO 0.48 0.46 0.00 -2.39 0.10 0.00 0.00 179.97 178.62 3iaq n HIS 974 N -4.48 0.56 1.04 4.08 1.44 -1.26 -2.35 115.22 114.25 3iaq n HIS 974 Ca 0.10 0.21 0.10 0.00 -2.01 0.00 0.00 57.72 56.12 3iaq n HIS 974 Cb 0.22 -0.83 0.33 0.00 0.12 0.00 0.00 29.99 29.82 3iaq n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3iaq n LEU 975 N -2.00 1.99 -4.73 2.39 4.77 -0.71 -4.90 117.00 113.82 3iaq n LEU 975 Ca 0.03 -0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 54.76 3iaq n LEU 975 Cb 0.25 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3iaq n LEU 975 CO 0.20 0.43 0.47 -0.76 -1.33 0.00 0.00 177.39 176.40 3iaq s LEU 976 N -1.50 4.39 -0.09 2.23 1.43 -0.99 -5.03 118.68 119.12 3iaq s LEU 976 Ca 0.32 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 54.80 3iaq s LEU 976 Cb 0.18 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 3iaq s LEU 976 CO 0.26 -0.07 -0.06 -1.38 0.23 0.00 0.00 176.35 175.33 3iaq s HIS 977 N 0.42 2.96 0.07 0.29 -3.43 -1.26 -5.09 115.29 109.25 3iaq s HIS 977 Ca 0.40 -0.04 -0.31 0.00 -0.80 0.00 0.00 55.06 54.31 3iaq s HIS 977 Cb -0.20 -1.76 -0.08 0.00 -1.43 0.00 0.00 32.58 29.11 3iaq s HIS 977 CO 0.22 0.26 1.62 0.00 -2.00 0.00 0.00 174.74 174.84 3iaq s ALA 978 N -0.59 3.68 0.64 -1.38 0.00 -1.26 -4.84 121.76 118.02 3iaq s ALA 978 Ca 0.09 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 3iaq s ALA 978 Cb -0.12 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 3iaq s ALA 978 CO 0.02 -1.06 1.03 -1.21 0.00 0.00 0.00 175.76 174.53 3iaq s GLU 979 N 2.51 3.19 0.13 0.00 2.02 0.33 -5.00 118.70 121.87 3iaq s GLU 979 Ca 0.73 0.49 -0.31 0.00 0.02 0.00 0.00 54.97 55.90 3iaq s GLU 979 Cb -0.39 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.65 3iaq s GLU 979 CO 0.32 -0.76 1.44 -2.00 0.02 0.00 0.00 175.26 174.28 3iaq s GLU 980 N -5.20 4.29 2.69 1.61 2.12 -1.26 -4.73 118.70 118.21 3iaq s GLU 980 Ca 0.56 2.17 0.00 0.00 0.36 0.00 0.00 54.97 58.05 3iaq s GLU 980 Cb -0.11 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3iaq s GLU 980 CO 0.51 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 3iaq n GLY 981 N 3.55 -0.70 2.94 -1.50 0.00 -1.26 -4.91 105.19 103.31 3iaq n GLY 981 Ca 0.12 -1.16 -0.19 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 0.57 -0.20 2.61 2.01 -0.18 -4.73 115.64 115.72 3iaq s THR 982 Ca 0.00 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 3iaq s THR 982 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3iaq s THR 982 CO 0.00 0.20 0.38 0.26 -0.69 0.00 0.00 174.62 174.78 3iaq s TRP 983 N 0.47 3.38 -0.14 4.92 0.52 0.68 0.62 118.94 129.39 3iaq s TRP 983 Ca -0.06 0.60 0.01 0.00 0.02 0.00 0.00 56.10 56.67 3iaq s TRP 983 Cb -0.10 -2.50 -0.00 0.00 -1.15 0.00 0.00 33.47 29.71 3iaq s TRP 983 CO 0.00 0.01 -0.17 -1.17 0.02 0.00 0.00 176.95 175.64 3iaq s LEU 984 N 1.23 2.39 -0.24 2.99 2.96 -0.34 -2.05 118.68 125.62 3iaq s LEU 984 Ca 0.19 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3iaq s LEU 984 Cb -0.15 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.06 3iaq s LEU 984 CO 0.08 0.10 -0.12 0.20 -1.32 0.00 0.00 176.35 175.29 3iaq s ASN 985 N 0.71 4.08 -0.25 3.68 0.01 -0.65 -2.24 114.94 120.28 3iaq s ASN 985 Ca -0.08 -1.07 -0.02 0.00 -0.71 0.00 0.00 52.86 50.98 3iaq s ASN 985 Cb -0.16 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 39.96 3iaq s ASN 985 CO 0.01 -0.13 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.80 3iaq s ILE 986 N 1.21 3.02 -0.10 0.60 1.01 -0.47 -1.55 121.20 124.93 3iaq s ILE 986 Ca -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3iaq s ILE 986 Cb -0.17 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3iaq s ILE 986 CO -0.07 0.21 -0.05 -1.81 0.00 0.00 0.00 174.94 173.22 3iaq s ASP 987 N 1.36 4.74 0.16 3.58 1.01 0.16 -0.09 116.67 127.60 3iaq s ASP 987 Ca 0.01 -0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.15 3iaq s ASP 987 Cb -0.16 -1.39 0.03 0.00 1.01 0.00 0.00 42.92 42.40 3iaq s ASP 987 CO -0.04 0.31 1.50 1.23 0.21 0.00 0.00 175.17 178.38 3iaq h GLY 988 N 5.68 0.91 -6.25 0.21 0.00 -1.20 0.23 103.07 102.64 3iaq h GLY 988 Ca -0.43 -0.93 -0.22 0.00 0.00 0.00 0.00 47.33 45.74 3iaq h GLY 988 CO 0.55 0.84 -0.55 -1.36 0.00 0.00 0.00 176.54 176.03 3iaq s PHE 989 N -4.35 -0.27 -0.04 5.60 0.08 -0.96 -4.65 117.98 113.39 3iaq s PHE 989 Ca -0.10 0.69 0.05 0.00 0.12 0.00 0.00 56.93 57.69 3iaq s PHE 989 Cb 0.11 -0.04 -0.01 0.00 -0.57 0.00 0.00 43.02 42.52 3iaq s PHE 989 CO 0.87 -0.23 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.98 3iaq s HIS 990 N 1.48 1.93 0.39 0.36 2.46 -1.26 -0.20 115.29 120.44 3iaq s HIS 990 Ca -0.07 -0.54 -0.26 0.00 0.47 0.00 0.00 55.06 54.67 3iaq s HIS 990 Cb -0.11 -1.28 -0.09 0.00 -0.13 0.00 0.00 32.58 30.97 3iaq s HIS 990 CO -0.07 -0.16 1.16 1.41 -2.47 0.00 0.00 174.74 174.60 3iaq s MET 991 N -0.09 4.12 0.90 2.88 1.75 0.49 -4.73 119.30 124.62 3iaq s MET 991 Ca -0.02 1.82 -0.13 0.00 -1.25 0.00 0.00 55.69 56.11 3iaq s MET 991 Cb -0.12 -2.72 0.05 0.00 2.84 0.00 0.00 34.83 34.89 3iaq s MET 991 CO 0.02 -0.26 0.65 0.41 -0.65 0.00 0.00 175.02 175.19 3iaq n GLY 992 N 0.65 -1.42 0.09 2.11 0.00 -0.79 -4.79 105.19 101.05 3iaq n GLY 992 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 3iaq n GLY 992 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3iaq n ILE 993 N -3.53 1.37 -4.51 -0.61 -5.35 -1.26 -4.92 119.36 100.55 3iaq n ILE 993 Ca 0.09 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 3iaq n ILE 993 Cb 0.52 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 3iaq n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iaq n GLY 994 N 1.60 -0.63 0.00 3.28 0.00 -1.26 -4.78 105.19 103.39 3iaq n GLY 994 Ca -0.22 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.94 0.36 -0.02 0.00 -1.25 -1.05 105.19 102.29 3iaq n GLY 995 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.73 -5.65 1.61 3.32 -1.81 -1.82 116.42 112.80 3iaq h ASP 996 Ca 0.00 0.09 -0.34 0.00 0.02 0.00 0.00 57.03 56.80 3iaq h ASP 996 Cb 0.00 -0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.41 3iaq h ASP 996 CO 0.00 0.26 -0.30 1.51 -1.72 0.00 0.00 179.24 178.99 3iaq s ASP 997 N -5.45 1.16 -0.10 6.45 1.47 -1.26 -4.11 116.67 114.83 3iaq s ASP 997 Ca -0.11 -1.58 0.15 0.00 1.18 0.00 0.00 52.55 52.19 3iaq s ASP 997 Cb 0.25 0.62 0.22 0.00 -0.34 0.00 0.00 42.92 43.67 3iaq s ASP 997 CO 0.80 -1.21 1.12 -1.20 0.68 0.00 0.00 175.17 175.36 3iaq n SER 998 N -1.44 2.27 0.00 2.11 7.64 -1.26 -4.60 113.62 118.35 3iaq n SER 998 Ca 0.03 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.07 3iaq n SER 998 Cb 0.62 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.23 0.00 -3.75 1.43 2.14 -1.26 -4.05 117.44 110.73 3iaq n TRP 999 Ca 0.12 -0.10 -0.10 0.00 2.07 0.00 0.00 57.50 59.50 3iaq n TRP 999 Cb 0.55 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 30.99 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 -0.20 -0.08 0.05 -0.67 1.04 -1.26 -4.39 113.70 108.19 3iaq s SER 1000Ca 0.00 -0.50 -0.34 0.00 0.48 0.00 0.00 55.95 55.59 3iaq s SER 1000Cb 0.00 0.43 -0.13 0.00 0.10 0.00 0.00 66.02 66.41 3iaq s SER 1000CO 0.00 -0.82 1.68 -2.65 0.98 0.00 0.00 173.24 172.43 3iaq n PRO 1001N -0.17 2.07 0.00 4.02 -0.02 -1.26 -4.80 135.00 134.84 3iaq n PRO 1001Ca -0.15 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3iaq n PRO 1001Cb 0.63 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 4.61 0.33 -4.64 2.55 3.41 -1.26 -5.01 113.62 113.62 3iaq n SER 1002Ca 0.19 -1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 57.24 3iaq n SER 1002Cb 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.14 4.34 0.68 -3.33 1.01 -1.26 -4.29 120.40 117.42 3iaq s VAL 1003Ca 0.00 1.53 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 3iaq s VAL 1003Cb 0.00 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 3iaq s VAL 1003CO 0.00 -0.48 1.23 -0.55 0.00 0.00 0.00 175.10 175.30 3iaq s SER 1004N 2.14 4.49 0.21 3.32 0.15 -1.26 -4.85 113.70 117.89 3iaq s SER 1004Ca 0.50 2.43 -0.10 0.00 0.70 0.00 0.00 55.95 59.49 3iaq s SER 1004Cb -0.14 -2.60 0.28 0.00 -1.71 0.00 0.00 66.02 61.85 3iaq s SER 1004CO 0.19 -2.07 1.72 0.00 1.20 0.00 0.00 173.24 174.28 3iaq h ALA 1005N 0.15 0.73 0.00 5.45 0.00 -1.97 -0.89 119.26 122.73 3iaq h ALA 1005Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3iaq h ALA 1005Cb 1.31 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3iaq h ALA 1005CO 0.52 -0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 3iaq n GLU 1006N -5.07 0.13 -0.40 0.00 0.00 -1.26 -1.20 120.64 112.84 3iaq n GLU 1006Ca 0.08 0.58 0.08 0.00 0.00 0.00 0.00 57.16 57.90 3iaq n GLU 1006Cb 0.29 -1.88 0.26 0.00 0.00 0.00 0.00 31.44 30.11 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 -2.15 0.94 -3.82 -1.84 3.72 -0.34 -4.96 117.46 109.01 3iaq n PHE 1007Ca -0.01 -0.63 -0.37 0.00 -0.05 0.00 0.00 57.45 56.40 3iaq n PHE 1007Cb 0.07 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 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 -1.73 3.57 -1.35 -1.08 -0.21 -0.34 -1.88 119.66 116.63 3iaq s GLN 1008Ca 0.38 -0.07 -0.15 0.00 0.02 0.00 0.00 55.36 55.54 3iaq s GLN 1008Cb 0.25 -3.22 0.07 0.00 1.00 0.00 0.00 33.01 31.12 3iaq s GLN 1008CO 0.18 0.72 1.91 1.28 -2.12 0.00 0.00 175.29 177.26 3iaq n LEU 1009N 2.12 5.82 -0.24 2.90 4.77 -1.26 -4.66 117.00 126.45 3iaq n LEU 1009Ca -0.19 -4.10 0.03 0.00 -0.03 0.00 0.00 56.01 51.71 3iaq n LEU 1009Cb 0.54 -1.68 0.07 0.00 -2.33 0.00 0.00 43.42 40.01 3iaq n LEU 1009CO 0.32 0.65 0.55 -1.54 -1.33 0.00 0.00 177.39 176.05 3iaq n SER 1010N 6.96 2.38 0.15 -1.43 3.41 -1.26 -4.23 113.62 119.60 3iaq n SER 1010Ca 0.48 -2.09 0.13 0.00 -0.26 0.00 0.00 58.87 57.13 3iaq n SER 1010Cb 0.42 -0.12 0.50 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.71 1.00 0.00 7.33 0.00 -1.98 -3.47 119.26 122.86 3iaq h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iaq h ALA 1011Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3iaq h ALA 1011CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3iaq n GLY 1012N 0.23 1.65 2.83 0.00 0.00 -1.26 -4.89 105.19 103.76 3iaq n GLY 1012Ca 0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 1.03 -0.04 1.61 0.52 -1.26 -0.27 118.95 120.53 3iaq s ARG 1013Ca 0.00 -0.06 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 3iaq s ARG 1013Cb 0.00 -1.25 -0.01 0.00 0.52 0.00 0.00 34.95 34.21 3iaq s ARG 1013CO 0.00 -0.29 -0.20 0.71 0.02 0.00 0.00 175.30 175.55 3iaq s TYR 1014N 1.85 1.94 -0.04 -0.53 1.51 0.33 -4.98 117.35 117.43 3iaq s TYR 1014Ca 0.05 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 3iaq s TYR 1014Cb -0.12 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 3iaq s TYR 1014CO -0.07 -0.16 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.50 3iaq s HIS 1015N -0.10 1.42 -0.07 2.71 5.65 -1.26 -0.14 115.29 123.50 3iaq s HIS 1015Ca -0.02 -0.40 -0.19 0.00 0.25 0.00 0.00 55.06 54.70 3iaq s HIS 1015Cb -0.12 -0.97 0.04 0.00 -1.18 0.00 0.00 32.58 30.35 3iaq s HIS 1015CO 0.02 -0.15 0.44 1.52 -0.65 0.00 0.00 174.74 175.92 3iaq s TYR 1016N 0.14 -0.38 -0.05 3.88 -0.85 -0.78 -5.03 117.35 114.27 3iaq s TYR 1016Ca -0.04 0.73 0.03 0.00 -0.52 0.00 0.00 57.07 57.27 3iaq s TYR 1016Cb -0.11 0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.43 3iaq s TYR 1016CO 0.02 -0.40 -0.13 1.14 -1.52 0.00 0.00 175.55 174.66 3iaq s GLN 1017N -0.86 1.57 0.09 -3.49 -2.07 -1.26 -0.59 119.66 113.04 3iaq s GLN 1017Ca -0.09 -0.43 0.10 0.00 -1.82 0.00 0.00 55.36 53.12 3iaq s GLN 1017Cb -0.03 -1.34 -0.03 0.00 -1.09 0.00 0.00 33.01 30.52 3iaq s GLN 1017CO 0.05 0.09 -0.26 -0.51 -1.32 0.00 0.00 175.29 173.33 3iaq s LEU 1018N 0.45 2.26 -0.19 2.60 1.43 0.18 -4.41 118.68 121.01 3iaq s LEU 1018Ca -0.10 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3iaq s LEU 1018Cb -0.14 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.83 3iaq s LEU 1018CO 0.03 0.22 -0.15 -0.69 0.23 0.00 0.00 176.35 175.98 3iaq s VAL 1019N -0.94 2.46 -0.20 -1.59 1.01 0.19 0.96 120.40 122.29 3iaq s VAL 1019Ca 0.13 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3iaq s VAL 1019Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3iaq s VAL 1019CO 0.04 0.51 0.07 0.86 0.00 0.00 0.00 175.10 176.57 3iaq s TRP 1020N 1.30 3.20 0.30 5.22 -0.11 0.50 -0.48 118.94 128.87 3iaq s TRP 1020Ca 0.04 -0.05 -0.02 0.00 1.22 0.00 0.00 56.10 57.29 3iaq s TRP 1020Cb -0.14 -2.12 0.01 0.00 -1.50 0.00 0.00 33.47 29.72 3iaq s TRP 1020CO -0.09 0.02 0.43 0.00 -4.62 0.00 0.00 176.95 172.68 3iaq s GLN 1022N -2.65 2.23 0.00 0.00 0.74 -1.26 -1.02 119.66 117.70 3iaq s GLN 1022Ca 0.24 -0.97 0.00 0.00 0.05 0.00 0.00 55.36 54.68 3iaq s GLN 1022Cb -0.01 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.74 3iaq s GLN 1022CO 0.17 0.52 0.00 0.36 -0.55 0.00 0.00 175.29 175.79