#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3d n ARG 14 N 0.00 -0.20 0.30 5.56 1.74 -1.26 -4.79 116.66 118.01 3i3d n ARG 14 Ca 0.00 0.03 0.20 0.00 -0.77 0.00 0.00 57.85 57.31 3i3d n ARG 14 Cb 0.00 -2.34 0.96 0.00 -1.02 0.00 0.00 32.46 30.06 3i3d n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i3d h ASP 15 N -2.54 0.00 -0.07 0.55 3.32 -1.95 -2.42 116.42 113.31 3i3d h ASP 15 Ca -0.70 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.35 3i3d h ASP 15 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3i3d h ASP 15 CO 0.51 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.36 3i3d n TRP 16 N -3.03 0.10 -2.45 4.55 2.14 -1.26 -3.02 117.44 114.46 3i3d n TRP 16 Ca -0.01 -0.05 -0.06 0.00 2.07 0.00 0.00 57.50 59.45 3i3d n TRP 16 Cb 0.17 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.72 3i3d n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3i3d n GLU 17 N -0.32 2.01 -3.38 -2.67 1.02 -0.91 -0.37 120.64 116.01 3i3d n GLU 17 Ca 0.05 -3.46 -0.15 0.00 -0.02 0.00 0.00 57.16 53.58 3i3d n GLU 17 Cb 0.08 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 3i3d n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3i3d s ASN 18 N -3.44 1.26 0.00 1.62 2.47 -1.17 -4.74 114.94 110.94 3i3d s ASN 18 Ca 0.36 -0.55 0.08 0.00 0.42 0.00 0.00 52.86 53.17 3i3d s ASN 18 Cb 0.36 0.68 0.41 0.00 -1.45 0.00 0.00 41.25 41.25 3i3d s ASN 18 CO -0.04 -0.37 1.11 -0.81 -3.72 0.00 0.00 177.10 173.27 3i3d n PRO 19 N 5.33 0.13 0.17 0.43 -0.04 -1.26 -0.82 135.00 138.93 3i3d n PRO 19 Ca -0.02 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 3i3d n PRO 19 Cb 0.48 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.53 3i3d n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i3d h GLY 20 N 1.32 0.00 -7.77 0.55 0.00 -1.93 -3.39 103.07 91.85 3i3d h GLY 20 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3i3d h GLY 20 CO 0.00 0.00 -0.73 0.14 0.00 0.00 0.00 176.54 175.95 3i3d s VAL 21 N -3.07 2.57 -1.42 4.60 1.01 -0.00 -4.92 120.40 119.17 3i3d s VAL 21 Ca 0.05 -1.71 0.14 0.00 0.00 0.00 0.00 61.98 60.46 3i3d s VAL 21 Cb 0.07 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3i3d s VAL 21 CO 0.72 -0.21 0.82 0.35 0.00 0.00 0.00 175.10 176.78 3i3d n THR 22 N 4.48 0.00 -3.63 3.92 -2.24 -1.26 -4.77 114.28 110.77 3i3d n THR 22 Ca -0.10 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.27 3i3d n THR 22 Cb 0.42 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 3i3d n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d s GLN 23 N -1.63 0.10 -0.03 -0.78 1.03 -1.26 -1.24 119.66 115.85 3i3d s GLN 23 Ca 0.13 -0.03 -0.01 0.00 0.04 0.00 0.00 55.36 55.49 3i3d s GLN 23 Cb 0.12 0.05 0.03 0.00 0.03 0.00 0.00 33.01 33.23 3i3d s GLN 23 CO 0.32 -0.04 0.05 -0.51 -2.54 0.00 0.00 175.29 172.57 3i3d s LEU 24 N -1.94 0.54 -1.56 2.60 1.43 -0.43 -4.85 118.68 114.47 3i3d s LEU 24 Ca 0.11 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3i3d s LEU 24 Cb -0.01 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.10 3i3d s LEU 24 CO -0.03 -0.20 0.00 0.59 0.23 0.00 0.00 176.35 176.94 3i3d n ASN 25 N 4.82 -5.38 -4.76 2.29 3.02 -1.26 -1.81 115.26 112.17 3i3d n ASN 25 Ca -0.14 0.36 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 3i3d n ASN 25 Cb 0.50 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.44 3i3d n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i3d s ARG 26 N -3.20 4.60 0.62 3.52 3.52 -1.26 -4.66 118.95 122.09 3i3d s ARG 26 Ca 0.00 1.58 -0.13 0.00 -0.13 0.00 0.00 55.73 57.05 3i3d s ARG 26 Cb 0.00 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 3i3d s ARG 26 CO 0.00 0.24 1.04 -0.51 -0.81 0.00 0.00 175.30 175.26 3i3d s LEU 27 N -1.71 3.32 0.58 -0.88 1.43 0.88 -5.01 118.68 117.29 3i3d s LEU 27 Ca 0.47 1.58 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 3i3d s LEU 27 Cb -0.26 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 3i3d s LEU 27 CO 0.33 -1.06 1.29 0.00 0.23 0.00 0.00 176.35 177.14 3i3d s ALA 28 N -2.91 2.63 0.64 4.21 0.00 -1.26 -4.68 121.76 120.39 3i3d s ALA 28 Ca 0.58 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 3i3d s ALA 28 Cb -0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3i3d s ALA 28 CO 0.47 -1.34 1.04 0.00 0.00 0.00 0.00 175.76 175.94 3i3d s ALA 29 N -1.41 2.84 0.09 0.00 0.00 -1.26 -4.99 121.76 117.02 3i3d s ALA 29 Ca 0.76 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 3i3d s ALA 29 Cb -0.36 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.69 3i3d s ALA 29 CO 0.41 -0.91 1.06 -3.38 0.00 0.00 0.00 175.76 172.94 3i3d s HIS 30 N -2.93 -0.11 0.88 0.00 -3.43 -1.26 -4.89 115.29 103.54 3i3d s HIS 30 Ca 0.58 -0.12 -0.11 0.00 -0.80 0.00 0.00 55.06 54.61 3i3d s HIS 30 Cb -0.13 0.60 0.12 0.00 -1.43 0.00 0.00 32.58 31.74 3i3d s HIS 30 CO 0.49 -0.63 1.09 -2.14 -2.00 0.00 0.00 174.74 171.55 3i3d s PRO 31 N -2.99 1.37 -0.01 -0.38 0.02 -1.14 -4.30 135.00 127.58 3i3d s PRO 31 Ca 0.12 0.93 -0.37 0.00 0.02 0.00 0.00 61.00 61.71 3i3d s PRO 31 Cb 0.01 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.56 3i3d s PRO 31 CO -0.00 -2.19 1.54 -2.30 -0.33 0.00 0.00 177.00 173.72 3i3d n PRO 32 N -3.86 1.46 -4.35 5.54 -0.02 -1.26 -4.99 135.00 127.51 3i3d n PRO 32 Ca 0.08 0.53 -0.25 0.00 -2.02 0.00 0.00 63.50 61.84 3i3d n PRO 32 Cb 0.55 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 3i3d n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i3d s PHE 33 N 1.69 2.55 0.00 6.00 2.99 -1.26 -4.78 117.98 125.16 3i3d s PHE 33 Ca 0.88 -0.26 0.00 0.00 0.00 0.00 0.00 56.93 57.55 3i3d s PHE 33 Cb -0.90 -1.17 0.00 0.00 0.00 0.00 0.00 43.02 40.95 3i3d s PHE 33 CO 0.50 0.60 0.00 0.00 -0.00 0.00 0.00 175.22 176.32 3i3d n ALA 34 N -0.45 0.00 -3.82 5.36 0.00 -1.26 -5.03 120.51 115.31 3i3d n ALA 34 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 3i3d n ALA 34 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 3i3d n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3d n SER 35 N 0.00 -2.73 -4.75 0.00 2.88 -1.26 -4.09 113.62 103.66 3i3d n SER 35 Ca 0.00 -1.01 -0.36 0.00 -1.33 0.00 0.00 58.87 56.16 3i3d n SER 35 Cb 0.00 -3.21 0.03 0.00 -0.75 0.00 0.00 64.21 60.28 3i3d n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3i3d s TRP 36 N -3.70 2.42 -0.14 0.66 0.51 -0.79 -4.64 118.94 113.25 3i3d s TRP 36 Ca 0.23 1.50 0.07 0.00 -2.12 0.00 0.00 56.10 55.78 3i3d s TRP 36 Cb -0.09 -3.53 0.14 0.00 -0.81 0.00 0.00 33.47 29.18 3i3d s TRP 36 CO 0.87 -2.27 1.09 0.54 -0.51 0.00 0.00 176.95 176.68 3i3d n ARG 37 N -1.39 2.52 -3.69 4.98 5.12 -1.26 -1.11 116.66 121.83 3i3d n ARG 37 Ca 0.12 -1.92 -0.22 0.00 -1.93 0.00 0.00 57.85 53.90 3i3d n ARG 37 Cb 0.49 -1.21 -0.18 0.00 -1.16 0.00 0.00 32.46 30.40 3i3d n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3i3d s ASN 38 N -1.55 1.53 0.37 0.55 3.84 -1.26 -4.97 114.94 113.45 3i3d s ASN 38 Ca 0.13 -0.11 0.05 0.00 0.21 0.00 0.00 52.86 53.14 3i3d s ASN 38 Cb 0.11 -0.27 0.71 0.00 -0.55 0.00 0.00 41.25 41.25 3i3d s ASN 38 CO 0.03 -0.25 1.96 0.28 -2.79 0.00 0.00 177.10 176.33 3i3d h SER 39 N 8.39 0.50 -0.33 -4.21 0.02 -1.97 -2.38 113.55 113.58 3i3d h SER 39 Ca -0.15 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 3i3d h SER 39 Cb 1.13 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3i3d h SER 39 CO 0.21 0.47 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.25 3i3d h GLU 40 N 0.55 0.71 -0.42 3.45 4.57 -1.99 -0.34 114.58 121.11 3i3d h GLU 40 Ca 0.13 -0.20 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 3i3d h GLU 40 Cb 0.14 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3i3d h GLU 40 CO -0.01 0.75 -0.18 0.93 -1.18 0.00 0.00 179.01 179.32 3i3d h GLU 41 N 0.66 0.80 -0.43 1.92 5.08 -1.82 -2.29 114.58 118.50 3i3d h GLU 41 Ca 0.13 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3i3d h GLU 41 Cb 0.47 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3i3d h GLU 41 CO 0.02 0.92 0.06 0.00 -1.00 0.00 0.00 179.01 179.01 3i3d h ALA 42 N 1.08 0.57 -0.52 3.43 0.00 -1.14 -0.21 119.26 122.48 3i3d h ALA 42 Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3i3d h ALA 42 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3i3d h ALA 42 CO 0.05 0.31 0.25 -0.09 0.00 0.00 0.00 179.25 179.77 3i3d h ARG 43 N 0.58 0.74 -0.04 0.00 2.43 -0.90 -2.93 114.38 114.26 3i3d h ARG 43 Ca 0.13 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i3d h ARG 43 Cb 0.40 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3i3d h ARG 43 CO 0.01 0.61 0.00 0.25 -1.51 0.00 0.00 179.97 179.33 3i3d n THR 44 N -4.60 0.04 -3.58 0.20 -2.24 -0.88 -4.95 114.28 98.26 3i3d n THR 44 Ca 0.02 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 3i3d n THR 44 Cb 0.11 0.47 0.08 0.00 -2.10 0.00 0.00 70.33 68.89 3i3d n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3d n ASP 45 N 0.20 -5.96 -4.89 3.42 2.03 -0.21 -5.00 116.55 106.13 3i3d n ASP 45 Ca 0.19 -0.55 -0.29 0.00 0.52 0.00 0.00 54.79 54.66 3i3d n ASP 45 Cb 0.35 -5.05 0.03 0.00 -0.72 0.00 0.00 41.12 35.73 3i3d n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3i3d s ARG 46 N -6.22 3.18 0.79 -0.67 0.52 -0.50 -5.02 118.95 111.02 3i3d s ARG 46 Ca 0.53 0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 55.96 3i3d s ARG 46 Cb -0.23 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.09 3i3d s ARG 46 CO 0.73 -0.69 0.75 -2.30 0.02 0.00 0.00 175.30 173.81 3i3d n PRO 47 N -2.70 0.19 -5.22 3.54 -0.02 -1.26 -4.84 135.00 124.70 3i3d n PRO 47 Ca 0.05 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.34 3i3d n PRO 47 Cb 0.56 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.82 3i3d n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3d s SER 48 N -1.76 3.04 0.58 2.55 0.15 -1.26 -4.99 113.70 112.00 3i3d s SER 48 Ca 0.67 -0.53 0.36 0.00 0.70 0.00 0.00 55.95 57.15 3i3d s SER 48 Cb -0.31 -1.15 1.70 0.00 -1.71 0.00 0.00 66.02 64.55 3i3d s SER 48 CO 0.57 0.19 2.11 1.56 1.20 0.00 0.00 173.24 178.87 3i3d h GLN 49 N 6.44 0.00 -0.00 5.44 1.08 -1.92 -2.32 115.11 123.82 3i3d h GLN 49 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3i3d h GLN 49 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3i3d h GLN 49 CO 0.47 0.02 -0.07 1.04 -0.95 0.00 0.00 178.83 179.34 3i3d n GLN 50 N -3.14 0.66 -3.96 1.46 3.00 -1.26 -4.54 117.38 109.59 3i3d n GLN 50 Ca -0.01 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.00 56.51 3i3d n GLN 50 Cb 0.23 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.82 3i3d n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3i3d s LEU 51 N -2.45 4.01 -0.06 1.08 2.96 -0.87 -0.53 118.68 122.81 3i3d s LEU 51 Ca 0.30 -1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 52.28 3i3d s LEU 51 Cb 0.20 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3i3d s LEU 51 CO 0.46 -0.36 0.00 -0.60 -1.32 0.00 0.00 176.35 174.53 3i3d s ARG 52 N 1.09 2.93 -0.03 1.98 3.52 -0.09 -4.70 118.95 123.65 3i3d s ARG 52 Ca 0.08 -0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 55.05 3i3d s ARG 52 Cb -0.19 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.39 3i3d s ARG 52 CO -0.11 0.68 0.45 0.45 -0.81 0.00 0.00 175.30 175.96 3i3d s SER 53 N -1.08 6.80 -0.09 -2.12 0.15 -1.26 -0.35 113.70 115.75 3i3d s SER 53 Ca 0.15 0.95 0.16 0.00 0.70 0.00 0.00 55.95 57.91 3i3d s SER 53 Cb -0.11 -2.28 0.55 0.00 -1.71 0.00 0.00 66.02 62.47 3i3d s SER 53 CO 0.05 0.21 1.47 0.18 1.20 0.00 0.00 173.24 176.34 3i3d n LEU 54 N 2.46 4.00 -4.77 3.45 4.77 0.65 -4.93 117.00 122.64 3i3d n LEU 54 Ca -0.11 -2.44 -0.34 0.00 -0.03 0.00 0.00 56.01 53.09 3i3d n LEU 54 Cb 0.52 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3i3d n LEU 54 CO 0.40 0.76 0.76 0.20 -1.33 0.00 0.00 177.39 178.18 3i3d s ASN 55 N -1.19 5.17 0.00 -1.43 0.01 -1.23 -4.85 114.94 111.41 3i3d s ASN 55 Ca 0.41 2.07 0.00 0.00 -0.71 0.00 0.00 52.86 54.63 3i3d s ASN 55 Cb 0.27 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3i3d s ASN 55 CO 0.18 -1.59 0.00 0.61 -1.51 0.00 0.00 177.10 174.79 3i3d n GLY 56 N -0.29 0.61 3.71 0.66 0.00 -0.20 -5.00 105.19 104.69 3i3d n GLY 56 Ca 0.11 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3i3d n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3d s GLU 57 N -1.60 4.50 0.33 1.61 2.02 -1.26 -0.53 118.70 123.76 3i3d s GLU 57 Ca 0.00 1.17 0.04 0.00 0.02 0.00 0.00 54.97 56.20 3i3d s GLU 57 Cb 0.00 -3.46 -0.06 0.00 0.10 0.00 0.00 34.13 30.71 3i3d s GLU 57 CO 0.00 -0.01 0.04 -1.58 0.02 0.00 0.00 175.26 173.73 3i3d s TRP 58 N 0.96 2.01 -0.13 1.61 0.52 0.60 -4.95 118.94 119.57 3i3d s TRP 58 Ca 0.45 -0.91 -0.07 0.00 0.02 0.00 0.00 56.10 55.59 3i3d s TRP 58 Cb -0.19 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 3i3d s TRP 58 CO 0.23 0.07 0.12 1.03 0.02 0.00 0.00 176.95 178.42 3i3d s ARG 59 N -3.86 3.48 -0.01 4.98 1.81 -0.56 -0.37 118.95 124.42 3i3d s ARG 59 Ca 0.36 -0.17 -0.01 0.00 -1.72 0.00 0.00 55.73 54.18 3i3d s ARG 59 Cb 0.08 -3.17 0.01 0.00 -0.45 0.00 0.00 34.95 31.42 3i3d s ARG 59 CO 0.15 0.71 0.03 0.12 -0.68 0.00 0.00 175.30 175.63 3i3d s PHE 60 N -0.83 -0.03 -0.01 -0.53 5.36 0.95 -1.33 117.98 121.56 3i3d s PHE 60 Ca 0.14 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 3i3d s PHE 60 Cb -0.12 -0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.56 3i3d s PHE 60 CO 0.03 -0.02 -0.01 0.00 -1.46 0.00 0.00 175.22 173.76 3i3d s ALA 61 N 0.10 0.16 -0.12 11.12 0.00 -0.68 -1.02 121.76 131.32 3i3d s ALA 61 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 3i3d s ALA 61 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3i3d s ALA 61 CO -0.00 -0.00 0.13 -0.46 0.00 0.00 0.00 175.76 175.42 3i3d s TRP 62 N 0.28 3.55 0.04 0.00 -0.00 -1.26 -0.59 118.94 120.96 3i3d s TRP 62 Ca -0.02 0.49 0.03 0.00 -0.00 0.00 0.00 56.10 56.60 3i3d s TRP 62 Cb -0.04 -1.93 -0.02 0.00 -0.00 0.00 0.00 33.47 31.48 3i3d s TRP 62 CO -0.01 0.71 -0.09 -0.06 -0.00 0.00 0.00 176.95 177.51 3i3d s PHE 63 N -1.01 0.74 0.20 5.86 0.40 0.06 -4.99 117.98 119.24 3i3d s PHE 63 Ca 0.15 -0.42 0.30 0.00 -0.60 0.00 0.00 56.93 56.36 3i3d s PHE 63 Cb -0.12 -0.44 1.29 0.00 0.51 0.00 0.00 43.02 44.26 3i3d s PHE 63 CO 0.04 -0.05 1.97 -1.00 0.70 0.00 0.00 175.22 176.88 3i3d h PRO 64 N 4.76 0.00 -2.28 0.24 0.13 -1.86 0.37 132.00 133.37 3i3d h PRO 64 Ca -0.35 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 3i3d h PRO 64 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 3i3d h PRO 64 CO 0.42 0.10 0.34 0.00 -0.23 0.00 0.00 178.00 178.63 3i3d s ALA 65 N -3.78 -1.76 0.50 -0.56 0.00 -1.22 -1.59 121.76 113.35 3i3d s ALA 65 Ca -0.00 1.05 0.20 0.00 0.00 0.00 0.00 51.96 53.21 3i3d s ALA 65 Cb 0.10 0.23 1.34 0.00 0.00 0.00 0.00 23.12 24.79 3i3d s ALA 65 CO 0.58 -0.55 2.12 -1.00 0.00 0.00 0.00 175.76 176.90 3i3d h PRO 66 N 2.38 0.00 0.00 0.00 0.13 -1.88 -1.08 132.00 131.55 3i3d h PRO 66 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i3d h PRO 66 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i3d h PRO 66 CO 0.35 0.07 0.00 0.93 -0.23 0.00 0.00 178.00 179.12 3i3d h GLU 67 N 0.00 0.00 -0.00 0.86 3.07 -1.95 -2.28 114.58 114.27 3i3d h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i3d h GLU 67 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3i3d h GLU 67 CO 0.01 0.00 -0.42 0.00 -1.40 0.00 0.00 179.01 177.20 3i3d n ALA 68 N -1.93 3.39 -2.35 3.43 0.00 -0.41 -4.88 120.51 117.75 3i3d n ALA 68 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3i3d n ALA 68 Cb 0.15 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 3i3d n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i3d s VAL 69 N -2.82 4.07 0.35 0.00 1.01 -0.86 -4.99 120.40 117.17 3i3d s VAL 69 Ca 0.16 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 3i3d s VAL 69 Cb 0.18 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3i3d s VAL 69 CO 0.64 -0.05 1.22 -2.16 0.00 0.00 0.00 175.10 174.74 3i3d s PRO 70 N 2.84 4.26 0.48 2.72 0.04 -1.26 -4.93 135.00 139.15 3i3d s PRO 70 Ca 0.59 2.00 0.15 0.00 0.04 0.00 0.00 61.00 63.78 3i3d s PRO 70 Cb -0.26 -2.92 1.12 0.00 0.04 0.00 0.00 34.50 32.48 3i3d s PRO 70 CO 0.21 -0.19 2.06 1.49 0.04 0.00 0.00 177.00 180.62 3i3d h GLU 71 N 3.12 0.01 -0.08 4.56 4.81 -1.99 -2.38 114.58 122.64 3i3d h GLU 71 Ca -0.48 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3i3d h GLU 71 Cb 1.23 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3i3d h GLU 71 CO 0.64 0.10 0.06 0.66 -0.73 0.00 0.00 179.01 179.74 3i3d h SER 72 N 0.01 0.00 -0.74 1.04 4.64 -1.93 -1.98 113.55 114.59 3i3d h SER 72 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 3i3d h SER 72 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3i3d h SER 72 CO 0.01 0.00 0.50 -0.25 -0.87 0.00 0.00 176.83 176.22 3i3d h TRP 73 N 0.00 0.44 0.00 4.77 7.01 -1.57 0.11 115.95 126.71 3i3d h TRP 73 Ca 0.04 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 3i3d h TRP 73 Cb 0.15 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 3i3d h TRP 73 CO 0.00 0.17 -0.28 -0.07 -2.79 0.00 0.00 178.44 175.46 3i3d h LEU 74 N 0.37 0.00 0.03 0.65 3.38 -1.55 -3.28 115.31 114.92 3i3d h LEU 74 Ca 0.36 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.96 3i3d h LEU 74 Cb 0.88 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 3i3d h LEU 74 CO -0.11 0.28 -2.27 -0.62 0.09 0.00 0.00 178.44 175.82 3i3d n GLU 75 N -4.18 0.68 -3.92 1.13 -0.58 0.17 -3.49 120.64 110.46 3i3d n GLU 75 Ca -0.02 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.79 3i3d n GLU 75 Cb 0.33 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 3i3d n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i3d n ASP 77 N -0.26 2.73 -4.63 0.00 2.03 -1.26 -4.07 116.55 111.09 3i3d n ASP 77 Ca -0.07 1.10 -0.40 0.00 0.52 0.00 0.00 54.79 55.93 3i3d n ASP 77 Cb 0.63 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.44 3i3d n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i3d s LEU 78 N -2.01 4.07 0.63 -2.67 1.43 -1.26 -4.93 118.68 113.95 3i3d s LEU 78 Ca 0.62 0.72 0.37 0.00 -1.03 0.00 0.00 54.13 54.81 3i3d s LEU 78 Cb -0.49 -2.85 2.12 0.00 0.03 0.00 0.00 46.19 45.00 3i3d s LEU 78 CO 0.57 -0.35 2.29 1.55 0.23 0.00 0.00 176.35 180.64 3i3d h PRO 79 N 7.83 0.00 0.00 1.29 0.13 -2.03 0.14 132.00 139.37 3i3d h PRO 79 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i3d h PRO 79 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3i3d h PRO 79 CO 0.77 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.47 3i3d h GLU 80 N 0.00 0.00 -7.27 0.86 3.07 -1.98 -3.45 114.58 105.80 3i3d h GLU 80 Ca 0.01 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.35 3i3d h GLU 80 Cb 0.08 0.00 0.16 0.00 -0.84 0.00 0.00 28.75 28.15 3i3d h GLU 80 CO -0.00 0.00 0.29 0.00 -1.40 0.00 0.00 179.01 177.90 3i3d s ALA 81 N -3.53 1.91 0.32 3.43 0.00 0.50 -4.96 121.76 119.43 3i3d s ALA 81 Ca 0.03 0.50 0.10 0.00 0.00 0.00 0.00 51.96 52.59 3i3d s ALA 81 Cb 0.08 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3i3d s ALA 81 CO 0.55 -2.18 -0.03 -0.51 0.00 0.00 0.00 175.76 173.58 3i3d s ASP 82 N -2.86 4.11 -0.25 0.00 1.01 -0.19 -4.90 116.67 113.59 3i3d s ASP 82 Ca 0.66 -0.96 -0.10 0.00 0.71 0.00 0.00 52.55 52.86 3i3d s ASP 82 Cb -0.21 -0.53 -0.05 0.00 1.01 0.00 0.00 42.92 43.14 3i3d s ASP 82 CO 0.55 -0.15 0.15 -0.89 0.21 0.00 0.00 175.17 175.04 3i3d s THR 83 N -2.49 5.18 0.13 -1.27 2.01 -1.26 -0.04 115.64 117.90 3i3d s THR 83 Ca 0.33 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.49 3i3d s THR 83 Cb -0.02 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3i3d s THR 83 CO 0.18 0.32 -0.09 0.68 -0.69 0.00 0.00 174.62 175.02 3i3d s VAL 84 N 1.34 1.02 0.29 3.82 -7.23 0.50 -4.93 120.40 115.20 3i3d s VAL 84 Ca 0.07 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 57.97 3i3d s VAL 84 Cb -0.15 -1.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 3i3d s VAL 84 CO 0.07 -0.76 0.96 -0.69 -0.31 0.00 0.00 175.10 174.36 3i3d s VAL 85 N -3.32 4.07 -0.02 1.32 1.01 -1.26 -0.29 120.40 121.91 3i3d s VAL 85 Ca 0.14 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.04 3i3d s VAL 85 Cb 0.03 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3i3d s VAL 85 CO -0.01 0.32 -0.08 -0.69 0.00 0.00 0.00 175.10 174.64 3i3d s VAL 86 N -1.38 0.65 0.66 2.92 1.01 0.31 -4.16 120.40 120.40 3i3d s VAL 86 Ca 0.46 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 3i3d s VAL 86 Cb -0.23 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3i3d s VAL 86 CO 0.29 0.20 1.14 -2.16 0.00 0.00 0.00 175.10 174.57 3i3d s PRO 87 N 0.06 2.70 -0.11 2.72 0.04 -1.26 -1.04 135.00 138.12 3i3d s PRO 87 Ca -0.01 1.51 -0.33 0.00 0.04 0.00 0.00 61.00 62.22 3i3d s PRO 87 Cb -0.06 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.68 3i3d s PRO 87 CO -0.00 -1.35 1.21 -1.54 0.04 0.00 0.00 177.00 175.36 3i3d s SER 88 N -2.34 -0.12 -0.17 6.66 1.04 0.26 -4.93 113.70 114.11 3i3d s SER 88 Ca 0.70 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 3i3d s SER 88 Cb -0.23 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 3i3d s SER 88 CO 0.41 -0.30 -0.02 0.20 0.98 0.00 0.00 173.24 174.51 3i3d s ASN 89 N -2.50 4.93 0.47 7.02 -0.87 -1.26 -3.23 114.94 119.50 3i3d s ASN 89 Ca 0.11 -0.11 0.32 0.00 -1.57 0.00 0.00 52.86 51.61 3i3d s ASN 89 Cb 0.01 -1.82 1.52 0.00 -0.02 0.00 0.00 41.25 40.94 3i3d s ASN 89 CO -0.04 0.16 1.96 4.11 -2.57 0.00 0.00 177.10 180.72 3i3d h TRP 90 N 6.80 0.00 -0.07 2.20 0.09 -1.83 -1.41 115.95 121.73 3i3d h TRP 90 Ca -0.33 0.00 -0.10 0.00 0.09 0.00 0.00 58.89 58.55 3i3d h TRP 90 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.41 3i3d h TRP 90 CO 0.54 0.00 -0.42 1.96 0.09 0.00 0.00 178.44 180.62 3i3d h GLN 91 N 0.00 0.14 0.00 0.12 7.50 -1.80 -1.99 115.11 119.08 3i3d h GLN 91 Ca 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.08 3i3d h GLN 91 Cb 0.26 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 3i3d h GLN 91 CO 0.00 0.54 0.00 -1.33 -1.50 0.00 0.00 178.83 176.54 3i3d n MET 92 N -4.03 0.28 -0.12 1.46 2.81 -0.53 -1.65 117.12 115.35 3i3d n MET 92 Ca -0.02 0.10 0.06 0.00 -1.81 0.00 0.00 57.70 56.03 3i3d n MET 92 Cb 0.47 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.60 3i3d n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3i3d n HIS 93 N -1.29 0.31 -1.00 2.03 8.25 -0.77 -4.99 115.22 117.77 3i3d n HIS 93 Ca 0.09 -0.31 -0.00 0.00 -0.26 0.00 0.00 57.72 57.25 3i3d n HIS 93 Cb 0.16 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.26 3i3d n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3d n GLY 94 N 0.64 0.46 0.25 -1.41 0.00 -0.66 -4.94 105.19 99.54 3i3d n GLY 94 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3i3d n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i3d h TYR 95 N 0.00 0.60 -3.30 1.61 -1.99 -1.71 -3.46 116.97 108.71 3i3d h TYR 95 Ca -0.00 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 3i3d h TYR 95 Cb 0.08 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3i3d h TYR 95 CO 0.05 0.71 0.11 0.16 -0.00 0.00 0.00 178.16 179.19 3i3d s ASP 96 N -6.79 0.07 0.12 3.88 1.47 -1.26 -5.05 116.67 109.11 3i3d s ASP 96 Ca -0.07 -1.02 -0.17 0.00 1.18 0.00 0.00 52.55 52.47 3i3d s ASP 96 Cb 0.14 0.74 -0.07 0.00 -0.34 0.00 0.00 42.92 43.39 3i3d s ASP 96 CO 0.79 -1.44 0.57 0.00 0.68 0.00 0.00 175.17 175.77 3i3d s ALA 97 N -3.17 3.57 0.40 2.11 0.00 -1.26 -4.38 121.76 119.04 3i3d s ALA 97 Ca 0.18 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 3i3d s ALA 97 Cb -0.04 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 3i3d s ALA 97 CO 0.11 0.42 0.97 -1.25 0.00 0.00 0.00 175.76 176.02 3i3d s PRO 98 N -1.61 4.27 -0.15 0.00 0.04 -1.26 -4.99 135.00 131.30 3i3d s PRO 98 Ca 0.34 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3i3d s PRO 98 Cb -0.17 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 3i3d s PRO 98 CO 0.19 -0.00 -0.16 0.42 0.04 0.00 0.00 177.00 177.49 3i3d s ILE 99 N -1.95 2.68 -0.38 0.56 1.01 -0.99 -4.62 121.20 117.50 3i3d s ILE 99 Ca 0.59 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 3i3d s ILE 99 Cb -0.14 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.26 3i3d s ILE 99 CO 0.18 0.52 0.20 -0.47 0.00 0.00 0.00 174.94 175.37 3i3d s TYR 100 N 0.73 3.30 0.01 3.97 5.04 -1.26 0.12 117.35 129.24 3i3d s TYR 100 Ca -0.07 -1.37 0.02 0.00 -2.44 0.00 0.00 57.07 53.21 3i3d s TYR 100 Cb -0.16 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.51 3i3d s TYR 100 CO 0.01 -0.77 -0.07 -0.08 -1.34 0.00 0.00 175.55 173.31 3i3d s THR 101 N 1.45 0.53 0.00 4.34 -1.32 -1.26 -1.73 115.64 117.64 3i3d s THR 101 Ca 0.01 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 3i3d s THR 101 Cb -0.21 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 3i3d s THR 101 CO 0.03 0.04 0.00 -3.20 -2.21 0.00 0.00 174.62 169.28 3i3d n ASN 102 N 2.61 0.00 -0.07 8.08 2.85 -1.26 -3.97 115.26 123.51 3i3d n ASN 102 Ca -0.15 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.27 3i3d n ASN 102 Cb 0.57 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.56 3i3d n ASN 102 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i3d h VAL 103 N 0.00 0.24 -2.16 3.44 2.07 -1.94 -3.37 116.25 114.53 3i3d h VAL 103 Ca 0.00 -1.23 -0.60 0.00 0.82 0.00 0.00 66.70 65.69 3i3d h VAL 103 Cb 0.00 0.50 0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3i3d h VAL 103 CO 0.00 0.08 0.77 0.41 0.02 0.00 0.00 177.57 178.85 3i3d n THR 104 N -4.67 0.04 -1.73 2.57 -1.04 -1.26 -3.43 114.28 104.76 3i3d n THR 104 Ca -0.07 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.56 3i3d n THR 104 Cb 0.21 -1.45 0.06 0.00 -1.82 0.00 0.00 70.33 67.33 3i3d n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i3d n TYR 105 N 3.50 2.09 1.02 -1.42 4.02 -1.26 -4.87 117.16 120.24 3i3d n TYR 105 Ca 0.18 0.43 0.11 0.00 -0.01 0.00 0.00 57.90 58.61 3i3d n TYR 105 Cb 0.27 -2.31 0.56 0.00 -0.02 0.00 0.00 39.34 37.84 3i3d n TYR 105 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i3d n PRO 106 N -1.43 0.24 -4.34 -0.72 -0.04 -1.26 -4.77 135.00 122.67 3i3d n PRO 106 Ca 0.13 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.49 3i3d n PRO 106 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 3i3d n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i3d s ILE 107 N -2.69 1.42 0.26 0.52 -4.36 -1.26 -5.06 121.20 110.03 3i3d s ILE 107 Ca 0.19 -2.11 -0.31 0.00 -0.26 0.00 0.00 60.65 58.16 3i3d s ILE 107 Cb 0.16 -2.17 -0.12 0.00 1.25 0.00 0.00 42.46 41.57 3i3d s ILE 107 CO 0.38 -0.49 1.63 0.41 0.24 0.00 0.00 174.94 177.11 3i3d n THR 108 N -0.40 0.66 -2.42 8.37 -1.04 -1.26 -4.87 114.28 113.31 3i3d n THR 108 Ca -0.07 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 3i3d n THR 108 Cb 0.62 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 3i3d n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i3d s VAL 109 N 0.40 3.71 -0.42 12.58 1.01 -1.26 -4.76 120.40 131.66 3i3d s VAL 109 Ca 0.68 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.59 3i3d s VAL 109 Cb -0.51 -4.73 0.31 0.00 0.00 0.00 0.00 36.38 31.45 3i3d s VAL 109 CO 0.43 -1.65 0.84 -3.20 0.00 0.00 0.00 175.10 171.52 3i3d n ASN 110 N 10.23 -0.82 -4.69 3.32 5.15 -1.26 -5.12 115.26 122.06 3i3d n ASN 110 Ca 0.21 -3.22 -0.41 0.00 -0.60 0.00 0.00 54.58 50.56 3i3d n ASN 110 Cb 0.50 0.54 0.01 0.00 -0.53 0.00 0.00 39.78 40.30 3i3d n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i3d n PRO 111 N 0.69 1.84 -0.66 1.20 -0.04 -1.26 -0.77 135.00 135.99 3i3d n PRO 111 Ca 0.16 0.66 0.05 0.00 -0.04 0.00 0.00 63.50 64.33 3i3d n PRO 111 Cb 0.65 -2.35 0.30 0.00 -0.04 0.00 0.00 33.50 32.06 3i3d n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i3d n PRO 112 N -0.02 3.89 -2.88 0.54 -0.04 -1.26 -5.10 135.00 130.12 3i3d n PRO 112 Ca 0.07 -2.37 -0.34 0.00 -0.04 0.00 0.00 63.50 60.83 3i3d n PRO 112 Cb 0.40 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 3i3d n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3d s PHE 113 N -2.29 3.39 0.37 0.54 0.40 0.05 -4.32 117.98 116.12 3i3d s PHE 113 Ca 0.41 1.55 0.07 0.00 -0.60 0.00 0.00 56.93 58.36 3i3d s PHE 113 Cb 0.31 -2.79 -0.07 0.00 0.51 0.00 0.00 43.02 40.97 3i3d s PHE 113 CO 0.13 -0.01 0.00 0.14 0.70 0.00 0.00 175.22 176.17 3i3d s VAL 114 N -2.04 1.82 0.46 -0.44 -7.23 -1.26 -4.51 120.40 107.20 3i3d s VAL 114 Ca 0.58 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.47 3i3d s VAL 114 Cb -0.11 -2.87 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 3i3d s VAL 114 CO 0.16 -0.05 1.36 -2.65 -0.31 0.00 0.00 175.10 173.61 3i3d n PRO 115 N -0.85 2.03 0.16 4.82 -0.02 -1.26 -4.88 135.00 135.00 3i3d n PRO 115 Ca -0.04 0.73 0.02 0.00 -2.02 0.00 0.00 63.50 62.18 3i3d n PRO 115 Cb 0.66 -2.54 0.37 0.00 -0.02 0.00 0.00 33.50 31.97 3i3d n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3i3d h THR 116 N 2.04 1.23 -1.92 3.45 1.35 -1.99 -3.27 112.91 113.79 3i3d h THR 116 Ca -0.50 -1.09 -0.65 0.00 -0.55 0.00 0.00 66.41 63.62 3i3d h THR 116 Cb 1.28 1.51 -0.14 0.00 -1.73 0.00 0.00 68.15 69.08 3i3d h THR 116 CO 0.60 0.32 1.08 -1.61 -0.25 0.00 0.00 175.52 175.66 3i3d s GLU 117 N -4.39 3.57 -0.39 4.72 2.02 -1.26 -4.76 118.70 118.21 3i3d s GLU 117 Ca -0.04 -1.46 -0.01 0.00 0.02 0.00 0.00 54.97 53.48 3i3d s GLU 117 Cb 0.15 -5.05 0.11 0.00 0.10 0.00 0.00 34.13 29.43 3i3d s GLU 117 CO 0.73 -1.95 0.16 1.21 0.02 0.00 0.00 175.26 175.43 3i3d s ASN 118 N 4.15 5.12 -0.09 -0.19 3.84 -0.62 -4.97 114.94 122.18 3i3d s ASN 118 Ca 0.37 -2.06 -0.40 0.00 0.21 0.00 0.00 52.86 50.98 3i3d s ASN 118 Cb -0.03 -1.77 -0.18 0.00 -0.55 0.00 0.00 41.25 38.71 3i3d s ASN 118 CO -0.09 -0.50 1.38 -2.65 -2.79 0.00 0.00 177.10 172.46 3i3d n PRO 119 N 4.50 0.68 -4.60 0.43 -0.02 -1.20 -3.43 135.00 131.36 3i3d n PRO 119 Ca -0.01 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 3i3d n PRO 119 Cb 0.42 -1.84 -0.17 0.00 -0.02 0.00 0.00 33.50 31.89 3i3d n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i3d s THR 120 N 1.30 1.90 -0.28 3.45 2.01 0.13 -1.83 115.64 122.32 3i3d s THR 120 Ca 0.92 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 3i3d s THR 120 Cb -1.14 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3i3d s THR 120 CO 0.58 0.52 0.17 -0.83 -0.69 0.00 0.00 174.62 174.38 3i3d s GLY 121 N 0.88 1.90 -0.49 4.40 0.00 0.37 -0.76 107.32 113.62 3i3d s GLY 121 Ca -0.07 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.37 3i3d s GLY 121 CO -0.02 0.65 0.41 0.00 0.00 0.00 0.00 173.10 174.13 3i3d s TYR 123 N 1.58 3.55 0.00 0.00 1.51 -0.05 -1.69 117.35 122.25 3i3d s TYR 123 Ca 0.04 0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 56.31 3i3d s TYR 123 Cb -0.26 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3i3d s TYR 123 CO 0.04 0.63 0.36 -1.54 -1.11 0.00 0.00 175.55 173.93 3i3d s SER 124 N -1.97 -0.24 -0.10 2.29 1.04 -0.44 0.07 113.70 114.35 3i3d s SER 124 Ca 0.28 0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 3i3d s SER 124 Cb -0.13 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.39 3i3d s SER 124 CO 0.19 -0.52 0.25 -0.22 0.98 0.00 0.00 173.24 173.92 3i3d s LEU 125 N -1.54 0.57 -0.28 2.42 2.96 -0.71 -1.49 118.68 120.61 3i3d s LEU 125 Ca -0.11 0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 3i3d s LEU 125 Cb -0.03 0.80 -0.01 0.00 0.50 0.00 0.00 46.19 47.44 3i3d s LEU 125 CO 0.03 -0.14 0.09 -0.89 -1.32 0.00 0.00 176.35 174.11 3i3d s THR 126 N 0.95 4.21 0.14 3.68 2.01 -1.26 -0.57 115.64 124.79 3i3d s THR 126 Ca -0.07 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 3i3d s THR 126 Cb -0.08 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 3i3d s THR 126 CO -0.06 0.19 0.08 0.72 -0.69 0.00 0.00 174.62 174.85 3i3d s PHE 127 N 1.57 0.83 0.02 4.92 -0.12 0.35 -4.94 117.98 120.62 3i3d s PHE 127 Ca 0.05 -1.20 -0.07 0.00 -0.05 0.00 0.00 56.93 55.65 3i3d s PHE 127 Cb -0.16 -0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 41.73 3i3d s PHE 127 CO 0.03 -0.54 0.29 1.21 -0.05 0.00 0.00 175.22 176.17 3i3d s ASN 128 N -3.05 6.52 -0.08 1.98 2.47 -1.26 -0.40 114.94 121.13 3i3d s ASN 128 Ca 0.24 0.60 -0.00 0.00 0.42 0.00 0.00 52.86 54.12 3i3d s ASN 128 Cb 0.07 -2.10 0.02 0.00 -1.45 0.00 0.00 41.25 37.79 3i3d s ASN 128 CO 0.02 0.23 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.90 3i3d s VAL 129 N -1.32 0.66 0.28 -5.21 1.01 0.01 -4.97 120.40 110.85 3i3d s VAL 129 Ca 0.29 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3i3d s VAL 129 Cb -0.13 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3i3d s VAL 129 CO 0.17 0.29 1.08 -0.62 0.00 0.00 0.00 175.10 176.02 3i3d s ASP 130 N 1.57 7.31 0.37 3.32 2.15 -1.26 -0.68 116.67 129.45 3i3d s ASP 130 Ca 0.00 2.23 0.14 0.00 0.43 0.00 0.00 52.55 55.35 3i3d s ASP 130 Cb -0.13 -2.62 0.98 0.00 -0.30 0.00 0.00 42.92 40.84 3i3d s ASP 130 CO -0.04 -0.11 1.80 1.05 -0.17 0.00 0.00 175.17 177.70 3i3d h GLU 131 N 3.83 0.51 -0.32 4.34 4.11 -1.94 -0.48 114.58 124.63 3i3d h GLU 131 Ca -0.47 -0.03 0.09 0.00 0.07 0.00 0.00 59.36 59.03 3i3d h GLU 131 Cb 1.21 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3i3d h GLU 131 CO 0.67 0.33 0.30 0.66 0.07 0.00 0.00 179.01 181.05 3i3d h SER 132 N 0.52 0.00 1.39 3.06 4.64 -1.98 0.26 113.55 121.44 3i3d h SER 132 Ca 0.55 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.78 3i3d h SER 132 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3i3d h SER 132 CO -0.28 0.00 -0.42 -0.50 -0.87 0.00 0.00 176.83 174.75 3i3d h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.38 -3.32 115.95 120.08 3i3d h TRP 133 Ca 0.15 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.05 3i3d h TRP 133 Cb 0.76 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 3i3d h TRP 133 CO 0.00 0.42 -1.87 1.28 -3.56 0.00 0.00 178.44 174.72 3i3d n LEU 134 N -3.27 0.17 -0.07 -4.49 4.77 0.67 -4.35 117.00 110.44 3i3d n LEU 134 Ca 0.02 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3i3d n LEU 134 Cb 0.66 0.05 0.30 0.00 -2.33 0.00 0.00 43.42 42.11 3i3d n LEU 134 CO 0.39 0.04 1.07 1.56 -1.33 0.00 0.00 177.39 179.11 3i3d h GLN 135 N 0.00 0.68 -3.68 3.23 4.20 -0.99 -3.45 115.11 115.10 3i3d h GLN 135 Ca -0.07 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 3i3d h GLN 135 Cb 1.17 -0.13 -0.11 0.00 0.30 0.00 0.00 27.48 28.71 3i3d h GLN 135 CO 0.01 0.56 -0.18 -1.83 -0.67 0.00 0.00 178.83 176.71 3i3d s GLU 136 N -5.33 1.30 0.98 1.46 -1.05 -1.26 -5.12 118.70 109.68 3i3d s GLU 136 Ca -0.09 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 3i3d s GLU 136 Cb 0.16 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 3i3d s GLU 136 CO 0.77 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.87 3i3d n GLY 137 N -0.29 -1.90 3.28 -3.83 0.00 -1.26 -4.78 105.19 96.40 3i3d n GLY 137 Ca -0.07 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3i3d n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3d s GLN 138 N -0.29 3.20 -0.28 1.61 0.74 0.26 -4.79 119.66 120.10 3i3d s GLN 138 Ca 0.00 -0.78 -0.06 0.00 0.05 0.00 0.00 55.36 54.56 3i3d s GLN 138 Cb 0.00 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.62 3i3d s GLN 138 CO 0.00 0.14 0.06 0.99 -0.55 0.00 0.00 175.29 175.93 3i3d s THR 139 N 0.48 3.89 0.19 -0.34 2.01 -1.26 -0.77 115.64 119.84 3i3d s THR 139 Ca -0.12 -0.61 0.11 0.00 0.31 0.00 0.00 61.69 61.37 3i3d s THR 139 Cb -0.17 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3i3d s THR 139 CO 0.05 0.16 -0.23 0.00 -0.69 0.00 0.00 174.62 173.91 3i3d s ARG 140 N 1.50 1.55 0.01 4.92 1.70 -0.32 -0.46 118.95 127.86 3i3d s ARG 140 Ca 0.03 -1.50 0.02 0.00 -0.47 0.00 0.00 55.73 53.82 3i3d s ARG 140 Cb -0.17 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.31 3i3d s ARG 140 CO 0.02 0.41 -0.01 -1.50 -1.08 0.00 0.00 175.30 173.13 3i3d s ILE 141 N -1.64 4.05 -0.13 4.99 2.07 -0.38 -0.43 121.20 129.73 3i3d s ILE 141 Ca 0.21 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3i3d s ILE 141 Cb -0.08 -2.81 0.02 0.00 0.13 0.00 0.00 42.46 39.72 3i3d s ILE 141 CO 0.10 0.35 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.71 3i3d s ILE 142 N -1.09 1.47 -0.44 2.00 1.01 0.27 -2.15 121.20 122.26 3i3d s ILE 142 Ca 0.20 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 3i3d s ILE 142 Cb -0.11 -1.38 0.11 0.00 0.01 0.00 0.00 42.46 41.08 3i3d s ILE 142 CO 0.11 0.44 0.29 -0.36 0.00 0.00 0.00 174.94 175.41 3i3d s PHE 143 N 1.32 3.43 0.32 3.97 0.40 -0.23 -1.27 117.98 125.93 3i3d s PHE 143 Ca 0.01 -1.90 0.29 0.00 -0.60 0.00 0.00 56.93 54.73 3i3d s PHE 143 Cb -0.14 -3.28 1.39 0.00 0.51 0.00 0.00 43.02 41.51 3i3d s PHE 143 CO -0.07 -0.95 2.02 -0.44 0.70 0.00 0.00 175.22 176.48 3i3d h ASP 144 N 8.35 0.00 -1.12 1.36 3.32 -1.54 0.28 116.42 127.07 3i3d h ASP 144 Ca -0.20 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.99 3i3d h ASP 144 Cb 1.07 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 3i3d h ASP 144 CO 0.80 0.12 -0.02 -0.83 -1.72 0.00 0.00 179.24 177.58 3i3d s GLY 145 N -4.21 -0.58 -0.08 2.75 0.00 -1.26 -3.29 107.32 100.64 3i3d s GLY 145 Ca -0.02 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.19 3i3d s GLY 145 CO 0.57 3.35 -0.06 0.14 0.00 0.00 0.00 173.10 177.10 3i3d s VAL 146 N 2.77 0.81 -0.24 1.40 1.01 -1.25 -2.20 120.40 122.70 3i3d s VAL 146 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3i3d s VAL 146 Cb -0.11 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 3i3d s VAL 146 CO -0.18 0.31 -0.01 0.21 0.00 0.00 0.00 175.10 175.43 3i3d s ASN 147 N 1.41 4.52 -0.00 3.32 3.84 -0.04 -3.95 114.94 124.03 3i3d s ASN 147 Ca -0.02 -0.48 0.05 0.00 0.21 0.00 0.00 52.86 52.63 3i3d s ASN 147 Cb -0.13 -1.77 -0.07 0.00 -0.55 0.00 0.00 41.25 38.73 3i3d s ASN 147 CO -0.04 -0.06 0.19 -1.54 -2.79 0.00 0.00 177.10 172.86 3i3d n SER 148 N 4.81 1.46 -3.64 -4.21 3.41 -0.52 -0.74 113.62 114.18 3i3d n SER 148 Ca -0.17 -0.41 -0.12 0.00 -0.26 0.00 0.00 58.87 57.91 3i3d n SER 148 Cb 0.50 1.09 -0.05 0.00 -0.26 0.00 0.00 64.21 65.48 3i3d n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d s ALA 149 N -1.81 -0.99 0.02 7.33 0.00 -1.13 -3.82 121.76 121.36 3i3d s ALA 149 Ca 0.01 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 3i3d s ALA 149 Cb 0.04 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.76 3i3d s ALA 149 CO 0.22 -0.55 0.73 -0.59 0.00 0.00 0.00 175.76 175.58 3i3d s PHE 150 N -3.11 -0.52 -0.00 0.00 -0.12 -0.96 -0.28 117.98 112.98 3i3d s PHE 150 Ca -0.01 0.61 0.04 0.00 -0.05 0.00 0.00 56.93 57.51 3i3d s PHE 150 Cb 0.00 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3i3d s PHE 150 CO -0.07 -0.65 -0.11 -1.01 -0.05 0.00 0.00 175.22 173.33 3i3d s HIS 151 N -2.47 2.77 -0.04 3.49 3.76 -0.67 -1.84 115.29 120.28 3i3d s HIS 151 Ca -0.03 -0.12 0.07 0.00 -0.15 0.00 0.00 55.06 54.84 3i3d s HIS 151 Cb -0.01 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 3i3d s HIS 151 CO -0.03 0.30 -0.25 -1.17 -0.85 0.00 0.00 174.74 172.74 3i3d s LEU 152 N -1.22 2.05 0.03 0.89 2.96 -0.06 -1.49 118.68 121.85 3i3d s LEU 152 Ca 0.15 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3i3d s LEU 152 Cb -0.11 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 3i3d s LEU 152 CO 0.05 0.27 -0.13 0.26 -1.32 0.00 0.00 176.35 175.47 3i3d s TRP 153 N -0.35 1.18 -0.13 5.38 0.51 0.10 -0.25 118.94 125.37 3i3d s TRP 153 Ca 0.03 -0.34 -0.02 0.00 -2.12 0.00 0.00 56.10 53.65 3i3d s TRP 153 Cb -0.12 -0.70 0.04 0.00 -0.81 0.00 0.00 33.47 31.88 3i3d s TRP 153 CO 0.01 0.02 -0.01 0.00 -0.51 0.00 0.00 176.95 176.47 3i3d n ASN 155 N 5.05 -5.51 0.00 0.00 3.02 0.12 -2.03 115.26 115.91 3i3d n ASN 155 Ca -0.09 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3i3d n ASN 155 Cb 0.49 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 3i3d n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3d n GLY 156 N -1.62 2.24 3.75 7.41 0.00 -1.23 -5.02 105.19 110.72 3i3d n GLY 156 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3i3d n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3d s ARG 157 N -0.46 4.12 0.17 1.61 0.52 -0.86 -4.94 118.95 119.11 3i3d s ARG 157 Ca 0.00 -0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 54.79 3i3d s ARG 157 Cb 0.00 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 3i3d s ARG 157 CO 0.00 0.35 1.56 -0.46 0.02 0.00 0.00 175.30 176.76 3i3d s TRP 158 N 0.20 3.05 -0.18 -0.53 -0.00 -1.26 -1.00 118.94 119.23 3i3d s TRP 158 Ca 0.12 0.67 -0.10 0.00 -0.00 0.00 0.00 56.10 56.78 3i3d s TRP 158 Cb -0.12 -3.92 -0.08 0.00 -0.00 0.00 0.00 33.47 29.35 3i3d s TRP 158 CO 0.01 -3.35 -0.25 0.28 -0.00 0.00 0.00 176.95 173.63 3i3d n VAL 159 N 3.78 1.14 -3.59 5.86 0.31 0.66 -4.91 118.33 121.58 3i3d n VAL 159 Ca 0.13 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3i3d n VAL 159 Cb 0.39 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 3i3d n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3d n GLY 160 N 1.81 0.97 3.06 2.92 0.00 -1.16 -4.74 105.19 108.06 3i3d n GLY 160 Ca -0.34 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 3i3d n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i3d s TYR 161 N -4.26 0.21 -0.09 1.61 5.04 -0.75 -0.88 117.35 118.24 3i3d s TYR 161 Ca 0.00 -0.47 -0.23 0.00 -2.44 0.00 0.00 57.07 53.93 3i3d s TYR 161 Cb 0.00 -0.16 0.05 0.00 0.35 0.00 0.00 41.96 42.21 3i3d s TYR 161 CO 0.00 -0.29 0.54 0.20 -1.34 0.00 0.00 175.55 174.66 3i3d s GLY 162 N -1.78 -0.41 0.37 8.97 0.00 -0.77 -1.31 107.32 112.39 3i3d s GLY 162 Ca -0.10 1.11 0.04 0.00 0.00 0.00 0.00 44.72 45.77 3i3d s GLY 162 CO -0.02 0.84 0.08 1.20 0.00 0.00 0.00 173.10 175.19 3i3d s GLN 163 N -0.81 1.80 0.00 2.90 -0.21 -0.37 -2.26 119.66 120.71 3i3d s GLN 163 Ca -0.09 -2.05 0.00 0.00 0.02 0.00 0.00 55.36 53.24 3i3d s GLN 163 Cb -0.03 -0.83 0.00 0.00 1.00 0.00 0.00 33.01 33.16 3i3d s GLN 163 CO 0.06 -0.31 0.00 -3.47 -2.12 0.00 0.00 175.29 169.45 3i3d n ASP 164 N -0.97 -1.64 0.00 5.90 -0.08 -1.25 -4.94 116.55 113.57 3i3d n ASP 164 Ca -0.05 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.27 3i3d n ASP 164 Cb 0.66 -0.82 0.17 0.00 2.34 0.00 0.00 41.12 43.47 3i3d n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3i3d n SER 165 N 0.00 0.00 -0.30 1.67 7.64 -1.25 -3.57 113.62 117.80 3i3d n SER 165 Ca 0.00 0.48 0.04 0.00 1.01 0.00 0.00 58.87 60.40 3i3d n SER 165 Cb 0.00 -0.49 0.09 0.00 -1.01 0.00 0.00 64.21 62.80 3i3d n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i3d n ARG 166 N -1.49 2.77 -4.16 1.43 5.12 -1.26 -3.78 116.66 115.28 3i3d n ARG 166 Ca 0.02 -1.92 -0.16 0.00 -1.93 0.00 0.00 57.85 53.87 3i3d n ARG 166 Cb 0.09 -1.22 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 3i3d n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i3d s LEU 167 N -1.35 2.35 0.36 0.55 1.43 -1.23 -4.42 118.68 116.36 3i3d s LEU 167 Ca 0.15 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 3i3d s LEU 167 Cb 0.10 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 3i3d s LEU 167 CO 0.07 -0.19 1.23 -2.16 0.23 0.00 0.00 176.35 175.52 3i3d s PRO 168 N -2.31 4.23 -0.18 1.29 0.04 -1.21 -4.47 135.00 132.40 3i3d s PRO 168 Ca 0.01 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 3i3d s PRO 168 Cb -0.06 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 3i3d s PRO 168 CO 0.01 -0.22 -0.10 -1.12 0.04 0.00 0.00 177.00 175.61 3i3d s SER 169 N -0.81 4.02 -0.04 6.66 0.01 0.98 -4.94 113.70 119.58 3i3d s SER 169 Ca 0.52 -0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.45 3i3d s SER 169 Cb -0.35 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 3i3d s SER 169 CO 0.46 0.05 -0.26 -1.61 0.41 0.00 0.00 173.24 172.29 3i3d s GLU 170 N 1.03 2.29 0.00 12.44 2.02 -1.26 -1.06 118.70 134.17 3i3d s GLU 170 Ca -0.00 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.09 3i3d s GLU 170 Cb -0.15 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 3i3d s GLU 170 CO -0.02 0.48 -0.07 -0.06 0.02 0.00 0.00 175.26 175.62 3i3d s PHE 171 N -0.42 0.63 -0.20 1.61 0.40 -0.91 -0.08 117.98 119.00 3i3d s PHE 171 Ca 0.04 -0.17 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 3i3d s PHE 171 Cb -0.12 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.02 3i3d s PHE 171 CO 0.01 -0.02 1.07 0.34 0.70 0.00 0.00 175.22 177.32 3i3d s ASP 172 N -0.38 7.09 0.00 1.36 -1.08 -1.26 -1.25 116.67 121.15 3i3d s ASP 172 Ca 0.01 1.45 0.14 0.00 -0.52 0.00 0.00 52.55 53.63 3i3d s ASP 172 Cb -0.04 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.13 3i3d s ASP 172 CO -0.00 -0.66 1.14 0.18 0.52 0.00 0.00 175.17 176.35 3i3d n LEU 173 N 6.19 2.69 -0.34 -1.34 4.77 0.40 -4.71 117.00 124.66 3i3d n LEU 173 Ca 0.12 -1.48 0.21 0.00 -0.03 0.00 0.00 56.01 54.83 3i3d n LEU 173 Cb 0.46 -0.15 0.44 0.00 -2.33 0.00 0.00 43.42 41.84 3i3d n LEU 173 CO 0.53 0.59 1.15 0.28 -1.33 0.00 0.00 177.39 178.61 3i3d h SER 174 N 2.76 0.58 0.10 -1.43 0.02 -1.84 0.13 113.55 113.88 3i3d h SER 174 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3i3d h SER 174 Cb 0.70 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3i3d h SER 174 CO 0.00 0.00 -0.20 0.00 -1.14 0.00 0.00 176.83 175.50 3i3d n ALA 175 N -2.32 2.96 -0.03 3.77 0.00 -1.26 -4.18 120.51 119.45 3i3d n ALA 175 Ca 0.29 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.29 3i3d n ALA 175 Cb 0.87 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 3i3d n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i3d n PHE 176 N -0.12 0.00 -2.16 0.00 3.01 0.35 -5.01 117.46 113.53 3i3d n PHE 176 Ca 0.14 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.30 3i3d n PHE 176 Cb 0.40 -0.52 0.02 0.00 -0.01 0.00 0.00 39.48 39.36 3i3d n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i3d s LEU 177 N -4.51 3.28 0.06 4.37 1.43 -0.65 -4.74 118.68 117.91 3i3d s LEU 177 Ca -0.07 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3i3d s LEU 177 Cb 0.10 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 3i3d s LEU 177 CO 0.75 -0.90 -0.06 -0.13 0.23 0.00 0.00 176.35 176.24 3i3d s ARG 178 N -5.06 0.59 0.29 1.70 0.52 -1.26 -5.04 118.95 110.69 3i3d s ARG 178 Ca 0.53 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 3i3d s ARG 178 Cb -0.11 -0.13 -0.10 0.00 0.52 0.00 0.00 34.95 35.13 3i3d s ARG 178 CO 0.50 -0.01 1.46 0.00 0.02 0.00 0.00 175.30 177.27 3i3d s ALA 179 N -2.39 3.62 0.00 2.13 0.00 -1.26 -4.61 121.76 119.25 3i3d s ALA 179 Ca -0.02 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3i3d s ALA 179 Cb -0.03 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3i3d s ALA 179 CO -0.03 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3i3d n GLY 180 N 1.71 0.86 3.75 0.00 0.00 0.14 -4.94 105.19 106.72 3i3d n GLY 180 Ca 0.05 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 3i3d n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3d s GLU 181 N 0.00 4.60 0.03 1.61 2.12 -1.26 -0.81 118.70 124.99 3i3d s GLU 181 Ca 0.00 1.78 -0.05 0.00 0.36 0.00 0.00 54.97 57.06 3i3d s GLU 181 Cb 0.00 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 3i3d s GLU 181 CO 0.00 0.11 0.09 -0.80 -0.54 0.00 0.00 175.26 174.12 3i3d s ASN 182 N -0.43 0.16 -0.06 -1.70 0.01 0.47 -4.79 114.94 108.60 3i3d s ASN 182 Ca 0.48 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 3i3d s ASN 182 Cb -0.31 0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.57 3i3d s ASN 182 CO 0.38 -0.45 -0.06 -0.60 -1.51 0.00 0.00 177.10 174.86 3i3d s ARG 183 N -2.20 1.08 -0.01 -0.60 3.52 -1.26 -0.50 118.95 118.99 3i3d s ARG 183 Ca -0.08 -0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.32 3i3d s ARG 183 Cb -0.04 -1.06 -0.04 0.00 -1.56 0.00 0.00 34.95 32.26 3i3d s ARG 183 CO -0.03 -0.09 0.17 -0.51 -0.81 0.00 0.00 175.30 174.03 3i3d s LEU 184 N 1.02 4.31 -0.11 -0.88 1.43 0.26 0.15 118.68 124.87 3i3d s LEU 184 Ca -0.09 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3i3d s LEU 184 Cb -0.14 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.52 3i3d s LEU 184 CO -0.00 0.26 -0.03 0.00 0.23 0.00 0.00 176.35 176.80 3i3d s ALA 185 N -1.32 1.09 -0.21 4.21 0.00 -0.00 -1.73 121.76 123.79 3i3d s ALA 185 Ca 0.27 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3i3d s ALA 185 Cb -0.13 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.13 3i3d s ALA 185 CO 0.19 -0.55 -0.16 0.08 0.00 0.00 0.00 175.76 175.32 3i3d s VAL 186 N 1.81 2.09 -0.46 0.00 1.01 0.11 -0.73 120.40 124.23 3i3d s VAL 186 Ca 0.04 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 3i3d s VAL 186 Cb -0.13 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.28 3i3d s VAL 186 CO -0.07 0.29 0.40 -0.32 0.00 0.00 0.00 175.10 175.40 3i3d s MET 187 N 1.22 2.99 -0.23 2.72 1.75 -0.56 -0.87 119.30 126.33 3i3d s MET 187 Ca -0.01 -1.24 -0.13 0.00 -1.25 0.00 0.00 55.69 53.06 3i3d s MET 187 Cb -0.16 -4.10 -0.05 0.00 2.84 0.00 0.00 34.83 33.37 3i3d s MET 187 CO -0.09 -0.99 0.26 0.08 -0.65 0.00 0.00 175.02 173.63 3i3d s VAL 188 N 1.75 5.29 -0.17 10.11 1.01 0.13 -1.68 120.40 136.85 3i3d s VAL 188 Ca 0.05 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 3i3d s VAL 188 Cb -0.23 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3i3d s VAL 188 CO 0.08 0.30 0.17 -0.76 0.00 0.00 0.00 175.10 174.89 3i3d s LEU 189 N 1.21 4.27 0.07 3.92 1.43 0.62 -0.48 118.68 129.71 3i3d s LEU 189 Ca 0.12 0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.40 3i3d s LEU 189 Cb -0.14 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 3i3d s LEU 189 CO 0.06 0.22 1.44 -0.09 0.23 0.00 0.00 176.35 178.21 3i3d h ARG 190 N 6.21 0.42 -6.16 1.70 2.43 -1.62 -1.34 114.38 116.03 3i3d h ARG 190 Ca -0.45 -0.18 -0.68 0.00 -0.81 0.00 0.00 59.98 57.87 3i3d h ARG 190 Cb 1.17 -0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.53 3i3d h ARG 190 CO 0.71 0.69 -0.68 -1.58 -1.51 0.00 0.00 179.97 177.60 3i3d s TRP 191 N -4.64 2.97 0.29 2.20 0.23 -1.26 -3.90 118.94 114.83 3i3d s TRP 191 Ca -0.14 0.04 -0.16 0.00 -2.03 0.00 0.00 56.10 53.81 3i3d s TRP 191 Cb 0.07 -1.70 0.02 0.00 0.03 0.00 0.00 33.47 31.89 3i3d s TRP 191 CO 0.76 0.37 0.64 -1.54 0.96 0.00 0.00 176.95 178.13 3i3d s SER 192 N -1.01 -0.07 0.63 2.95 1.04 -1.26 -4.91 113.70 111.07 3i3d s SER 192 Ca 0.14 -0.87 0.41 0.00 0.48 0.00 0.00 55.95 56.11 3i3d s SER 192 Cb -0.11 0.70 2.14 0.00 0.10 0.00 0.00 66.02 68.86 3i3d s SER 192 CO 0.04 -1.34 2.26 -2.24 0.98 0.00 0.00 173.24 172.93 3i3d h ASP 193 N 2.09 0.00 0.83 7.02 3.04 -0.90 0.29 116.42 128.78 3i3d h ASP 193 Ca -0.24 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.53 3i3d h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 3i3d h ASP 193 CO 0.31 0.00 -0.10 1.23 -2.04 0.00 0.00 179.24 178.64 3i3d h GLY 194 N 0.49 0.00 2.00 7.15 0.00 -1.91 -2.66 103.07 108.13 3i3d h GLY 194 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3i3d h GLY 194 CO 0.00 0.00 -0.06 1.76 0.00 0.00 0.00 176.54 178.24 3i3d h SER 195 N 0.00 0.00 0.89 0.19 0.02 -0.77 -1.25 113.55 112.63 3i3d h SER 195 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i3d h SER 195 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3i3d h SER 195 CO 0.01 0.06 0.00 1.88 -1.14 0.00 0.00 176.83 177.64 3i3d h TYR 196 N 0.00 0.00 -0.30 3.45 -1.99 -1.60 -2.48 116.97 114.04 3i3d h TYR 196 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i3d h TYR 196 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 3i3d h TYR 196 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3i3d n LEU 197 N -2.38 2.88 -2.65 3.88 4.77 -0.48 -4.40 117.00 118.63 3i3d n LEU 197 Ca 0.02 -1.62 -0.23 0.00 -0.03 0.00 0.00 56.01 54.15 3i3d n LEU 197 Cb 0.27 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3i3d n LEU 197 CO 0.22 0.66 0.10 -0.62 -1.33 0.00 0.00 177.39 176.43 3i3d n GLU 198 N 0.87 2.84 -1.03 3.23 1.02 -0.93 -0.37 120.64 126.27 3i3d n GLU 198 Ca 0.13 -4.29 -0.22 0.00 -0.02 0.00 0.00 57.16 52.76 3i3d n GLU 198 Cb 0.45 -2.04 0.10 0.00 -0.02 0.00 0.00 31.44 29.93 3i3d n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i3d n ASP 199 N -0.31 5.18 -4.74 1.62 2.03 -0.31 -4.98 116.55 115.04 3i3d n ASP 199 Ca 0.31 -3.34 -0.37 0.00 0.52 0.00 0.00 54.79 51.91 3i3d n ASP 199 Cb 0.63 -0.87 0.05 0.00 -0.72 0.00 0.00 41.12 40.21 3i3d n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3i3d s GLN 200 N -2.71 2.83 -1.07 -0.67 1.11 -1.26 -4.63 119.66 113.26 3i3d s GLN 200 Ca 0.46 2.04 -0.22 0.00 0.01 0.00 0.00 55.36 57.65 3i3d s GLN 200 Cb 0.38 -1.98 0.02 0.00 -1.01 0.00 0.00 33.01 30.42 3i3d s GLN 200 CO 0.04 -1.38 1.67 0.34 0.01 0.00 0.00 175.29 175.98 3i3d s ASP 201 N -1.34 6.11 0.27 5.90 2.15 -1.26 -4.84 116.67 123.66 3i3d s ASP 201 Ca 0.78 -1.50 -0.20 0.00 0.43 0.00 0.00 52.55 52.07 3i3d s ASP 201 Cb -0.36 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.75 3i3d s ASP 201 CO 0.40 -1.88 0.92 0.00 -0.17 0.00 0.00 175.17 174.43 3i3d s MET 202 N 5.44 1.71 0.24 4.34 0.23 -1.25 -5.00 119.30 125.01 3i3d s MET 202 Ca 0.55 -1.09 -0.30 0.00 -1.03 0.00 0.00 55.69 53.82 3i3d s MET 202 Cb -0.01 0.49 -0.10 0.00 -1.53 0.00 0.00 34.83 33.68 3i3d s MET 202 CO -0.02 -0.80 1.52 -1.58 -2.03 0.00 0.00 175.02 172.11 3i3d s TRP 203 N -2.36 2.95 -0.44 3.16 0.52 -1.26 -4.18 118.94 117.33 3i3d s TRP 203 Ca 0.18 0.85 -0.21 0.00 0.02 0.00 0.00 56.10 56.94 3i3d s TRP 203 Cb -0.04 -3.92 0.03 0.00 -1.15 0.00 0.00 33.47 28.39 3i3d s TRP 203 CO 0.08 -3.14 0.66 1.03 0.02 0.00 0.00 176.95 175.60 3i3d s ARG 204 N -0.01 3.28 0.00 4.98 1.81 0.32 -4.91 118.95 124.42 3i3d s ARG 204 Ca 0.63 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.28 3i3d s ARG 204 Cb -0.44 -3.96 0.00 0.00 -0.45 0.00 0.00 34.95 30.10 3i3d s ARG 204 CO 0.41 -1.03 0.00 -1.33 -0.68 0.00 0.00 175.30 172.67 3i3d n MET 205 N 6.32 1.90 -3.70 3.54 2.81 -1.26 -2.35 117.12 124.38 3i3d n MET 205 Ca -0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 3i3d n MET 205 Cb 0.48 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.98 3i3d n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i3d s SER 206 N -0.31 -0.13 0.00 7.83 1.04 -1.26 -4.82 113.70 116.05 3i3d s SER 206 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3i3d s SER 206 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3i3d s SER 206 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3i3d n GLY 207 N -0.47 0.32 3.41 7.32 0.00 0.08 -2.17 105.19 113.67 3i3d n GLY 207 Ca -0.07 -2.29 -0.45 0.00 0.00 0.00 0.00 46.02 43.22 3i3d n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3d s ILE 208 N -0.21 5.25 -2.02 -0.61 1.01 -1.20 -0.86 121.20 122.56 3i3d s ILE 208 Ca 0.00 -2.40 0.26 0.00 0.00 0.00 0.00 60.65 58.51 3i3d s ILE 208 Cb 0.00 -4.71 0.31 0.00 0.01 0.00 0.00 42.46 38.07 3i3d s ILE 208 CO 0.00 -1.37 1.55 2.22 0.00 0.00 0.00 174.94 177.34 3i3d n PHE 209 N 5.01 0.00 -4.53 3.97 1.16 -0.93 -0.57 117.46 121.57 3i3d n PHE 209 Ca 0.25 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.58 3i3d n PHE 209 Cb 0.45 -0.07 -0.11 0.00 -1.61 0.00 0.00 39.48 38.14 3i3d n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3i3d s ARG 210 N -2.35 1.79 0.68 3.97 0.52 -1.08 -4.45 118.95 118.03 3i3d s ARG 210 Ca 0.27 -2.01 -0.17 0.00 -0.52 0.00 0.00 55.73 53.31 3i3d s ARG 210 Cb 0.20 -1.21 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 3i3d s ARG 210 CO 0.47 -0.13 0.62 -0.25 0.02 0.00 0.00 175.30 176.03 3i3d n ASP 211 N -0.82 -0.79 -4.05 0.23 8.00 -1.26 -4.45 116.55 113.41 3i3d n ASP 211 Ca -0.04 0.65 -0.24 0.00 0.71 0.00 0.00 54.79 55.88 3i3d n ASP 211 Cb 0.67 -1.24 -0.16 0.00 -0.02 0.00 0.00 41.12 40.36 3i3d n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i3d s VAL 212 N -1.82 1.09 0.25 2.53 1.01 -1.26 -1.56 120.40 120.64 3i3d s VAL 212 Ca 0.68 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3i3d s VAL 212 Cb -0.37 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3i3d s VAL 212 CO 0.55 0.33 0.56 -0.94 0.00 0.00 0.00 175.10 175.61 3i3d s SER 213 N 0.34 -0.16 -0.11 3.32 1.04 -0.39 -0.25 113.70 117.48 3i3d s SER 213 Ca -0.08 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.60 3i3d s SER 213 Cb -0.12 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3i3d s SER 213 CO 0.02 -1.20 -0.20 -0.76 0.98 0.00 0.00 173.24 172.08 3i3d s LEU 214 N -2.97 2.32 -0.12 2.42 1.43 0.53 0.94 118.68 123.24 3i3d s LEU 214 Ca 0.17 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3i3d s LEU 214 Cb -0.02 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 3i3d s LEU 214 CO 0.07 0.16 -0.21 -0.22 0.23 0.00 0.00 176.35 176.38 3i3d s LEU 215 N 0.33 2.23 -0.17 1.79 2.96 0.42 -0.92 118.68 125.32 3i3d s LEU 215 Ca -0.16 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.17 3i3d s LEU 215 Cb -0.17 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3i3d s LEU 215 CO 0.08 0.14 0.02 -2.28 -1.32 0.00 0.00 176.35 172.99 3i3d s HIS 216 N 0.47 3.14 0.08 5.38 5.65 0.31 -1.18 115.29 129.14 3i3d s HIS 216 Ca -0.14 -0.12 0.06 0.00 0.25 0.00 0.00 55.06 55.11 3i3d s HIS 216 Cb -0.17 -2.03 -0.03 0.00 -1.18 0.00 0.00 32.58 29.17 3i3d s HIS 216 CO 0.06 0.05 -0.16 0.15 -0.65 0.00 0.00 174.74 174.19 3i3d s LYS 217 N 0.42 0.88 0.84 2.88 -0.14 0.05 -4.71 119.74 119.96 3i3d s LYS 217 Ca 0.00 -0.99 -0.11 0.00 -1.36 0.00 0.00 55.97 53.50 3i3d s LYS 217 Cb -0.13 -0.94 0.10 0.00 -1.68 0.00 0.00 37.83 35.17 3i3d s LYS 217 CO 0.02 0.21 1.09 -2.14 -0.76 0.00 0.00 175.35 173.77 3i3d s PRO 218 N -1.77 1.69 0.20 -1.68 0.02 -1.26 0.89 135.00 133.09 3i3d s PRO 218 Ca -0.00 0.95 -0.09 0.00 0.02 0.00 0.00 61.00 61.87 3i3d s PRO 218 Cb -0.10 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.70 3i3d s PRO 218 CO 0.03 -1.98 1.76 1.15 -0.33 0.00 0.00 177.00 177.63 3i3d h THR 219 N -1.36 1.25 -3.58 0.99 2.02 -1.93 -3.34 112.91 106.96 3i3d h THR 219 Ca -0.47 -0.80 -0.64 0.00 0.77 0.00 0.00 66.41 65.28 3i3d h THR 219 Cb 1.26 0.41 -0.14 0.00 -1.74 0.00 0.00 68.15 67.94 3i3d h THR 219 CO 0.54 0.32 0.17 -0.89 0.37 0.00 0.00 175.52 176.02 3i3d s THR 220 N -5.54 4.84 0.13 3.16 2.01 -1.26 -3.79 115.64 115.20 3i3d s THR 220 Ca -0.12 0.44 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 3i3d s THR 220 Cb 0.15 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3i3d s THR 220 CO 0.83 -0.44 0.12 0.00 -0.69 0.00 0.00 174.62 174.44 3i3d s GLN 221 N 2.81 0.96 -0.35 4.92 -2.07 -0.14 -4.92 119.66 120.88 3i3d s GLN 221 Ca 0.25 -1.31 -0.27 0.00 -1.82 0.00 0.00 55.36 52.20 3i3d s GLN 221 Cb -0.14 0.28 0.02 0.00 -1.09 0.00 0.00 33.01 32.08 3i3d s GLN 221 CO 0.17 -0.29 1.00 0.42 -1.32 0.00 0.00 175.29 175.27 3i3d s ILE 222 N -4.00 4.53 -0.33 3.63 1.01 -1.26 -1.24 121.20 123.54 3i3d s ILE 222 Ca 0.19 1.44 0.22 0.00 0.00 0.00 0.00 60.65 62.50 3i3d s ILE 222 Cb 0.06 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 3i3d s ILE 222 CO -0.01 -0.53 0.74 -1.54 0.00 0.00 0.00 174.94 173.60 3i3d n SER 223 N 6.86 0.40 -3.57 3.58 3.41 0.12 -4.92 113.62 119.50 3i3d n SER 223 Ca 0.09 -0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.48 3i3d n SER 223 Cb 0.48 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 65.78 3i3d n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3d s ASP 224 N -4.27 -0.23 -0.28 4.04 2.15 -1.11 -4.88 116.67 112.10 3i3d s ASP 224 Ca -0.02 0.09 -0.20 0.00 0.43 0.00 0.00 52.55 52.85 3i3d s ASP 224 Cb 0.14 0.22 0.10 0.00 -0.30 0.00 0.00 42.92 43.08 3i3d s ASP 224 CO 0.86 -0.33 0.83 0.72 -0.17 0.00 0.00 175.17 177.09 3i3d s PHE 225 N -2.15 -0.78 -0.06 -5.34 -0.12 -1.26 -0.39 117.98 107.88 3i3d s PHE 225 Ca 0.06 1.68 0.05 0.00 -0.05 0.00 0.00 56.93 58.67 3i3d s PHE 225 Cb -0.01 0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 3i3d s PHE 225 CO -0.05 -0.38 -0.22 -1.01 -0.05 0.00 0.00 175.22 173.51 3i3d s HIS 226 N 1.00 2.52 -0.14 3.49 3.76 0.32 -4.85 115.29 121.40 3i3d s HIS 226 Ca -0.05 -0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 54.24 3i3d s HIS 226 Cb -0.05 -1.63 -0.01 0.00 1.11 0.00 0.00 32.58 32.00 3i3d s HIS 226 CO -0.11 -0.15 -0.13 0.08 -0.85 0.00 0.00 174.74 173.58 3i3d s VAL 227 N -0.20 2.98 0.10 -0.90 1.01 -1.26 -1.12 120.40 121.00 3i3d s VAL 227 Ca -0.02 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3i3d s VAL 227 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3i3d s VAL 227 CO 0.03 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 3i3d s ALA 228 N 0.46 1.27 -0.05 5.51 0.00 0.11 -4.85 121.76 124.20 3i3d s ALA 228 Ca -0.10 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 3i3d s ALA 228 Cb -0.16 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3i3d s ALA 228 CO 0.05 0.09 0.01 0.95 0.00 0.00 0.00 175.76 176.86 3i3d s THR 229 N -1.88 0.22 0.19 0.00 -4.23 -1.26 -0.54 115.64 108.14 3i3d s THR 229 Ca 0.04 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 60.82 3i3d s THR 229 Cb -0.06 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 3i3d s THR 229 CO 0.02 0.22 -0.07 -0.13 -0.54 0.00 0.00 174.62 174.12 3i3d s ARG 230 N 1.79 2.15 0.24 3.99 0.52 -0.96 -4.84 118.95 121.84 3i3d s ARG 230 Ca 0.01 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 3i3d s ARG 230 Cb -0.13 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 3i3d s ARG 230 CO -0.04 0.43 0.07 -0.06 0.02 0.00 0.00 175.30 175.72 3i3d s PHE 231 N -1.82 1.50 0.85 -0.53 0.40 -1.26 -1.59 117.98 115.53 3i3d s PHE 231 Ca 0.26 -1.11 -0.07 0.00 -0.60 0.00 0.00 56.93 55.41 3i3d s PHE 231 Cb -0.08 -0.88 0.18 0.00 0.51 0.00 0.00 43.02 42.74 3i3d s PHE 231 CO 0.16 -0.27 1.16 0.54 0.70 0.00 0.00 175.22 177.52 3i3d s ASN 232 N -3.30 3.65 0.24 1.36 4.22 -0.98 -4.94 114.94 115.20 3i3d s ASN 232 Ca 0.34 -0.20 -0.06 0.00 -2.14 0.00 0.00 52.86 50.80 3i3d s ASN 232 Cb 0.07 0.05 0.44 0.00 1.28 0.00 0.00 41.25 43.09 3i3d s ASN 232 CO 0.11 -2.35 1.70 -2.24 -2.04 0.00 0.00 177.10 172.28 3i3d h ASP 233 N -1.07 0.07 -0.60 3.54 3.04 -2.02 -2.53 116.42 116.85 3i3d h ASP 233 Ca -0.39 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 3i3d h ASP 233 Cb 1.24 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.70 3i3d h ASP 233 CO 0.36 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.66 3i3d n ASP 234 N -5.12 4.74 -2.90 4.15 5.75 -1.26 -4.95 116.55 116.96 3i3d n ASP 234 Ca 0.13 -2.52 -0.21 0.00 -0.01 0.00 0.00 54.79 52.19 3i3d n ASP 234 Cb 0.43 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 39.96 3i3d n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3i3d n PHE 235 N 0.93 -1.69 0.92 2.11 3.01 -0.95 -4.85 117.46 116.94 3i3d n PHE 235 Ca 0.25 0.35 0.11 0.00 1.01 0.00 0.00 57.45 59.17 3i3d n PHE 235 Cb 0.90 -3.86 0.06 0.00 -0.01 0.00 0.00 39.48 36.57 3i3d n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i3d n SER 236 N -2.29 0.72 -3.93 4.37 3.41 -1.26 -4.61 113.62 110.03 3i3d n SER 236 Ca -0.12 -0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 3i3d n SER 236 Cb 0.62 0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 65.11 3i3d n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3d s ARG 237 N -3.04 0.21 0.07 4.33 0.52 -1.26 0.11 118.95 119.89 3i3d s ARG 237 Ca 0.08 -0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 3i3d s ARG 237 Cb 0.16 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.70 3i3d s ARG 237 CO 0.79 -0.04 0.15 0.00 0.02 0.00 0.00 175.30 176.22 3i3d s ALA 238 N -0.90 -0.12 -0.15 2.13 0.00 0.21 -2.32 121.76 120.61 3i3d s ALA 238 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3i3d s ALA 238 Cb -0.06 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.47 3i3d s ALA 238 CO -0.00 -0.44 -0.13 0.08 0.00 0.00 0.00 175.76 175.27 3i3d s VAL 239 N -3.47 1.48 -0.21 0.00 1.01 -0.62 0.03 120.40 118.62 3i3d s VAL 239 Ca 0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 3i3d s VAL 239 Cb 0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3i3d s VAL 239 CO -0.09 0.41 0.43 -0.22 0.00 0.00 0.00 175.10 175.63 3i3d s LEU 240 N 1.52 4.14 -0.19 3.92 0.20 0.15 -2.26 118.68 126.15 3i3d s LEU 240 Ca 0.04 0.53 -0.03 0.00 0.69 0.00 0.00 54.13 55.37 3i3d s LEU 240 Cb -0.13 -2.56 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 3i3d s LEU 240 CO -0.10 -0.12 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.06 3i3d s GLU 241 N 1.52 3.37 -0.22 1.98 2.12 0.29 -0.25 118.70 127.52 3i3d s GLU 241 Ca 0.20 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.90 3i3d s GLU 241 Cb -0.15 -2.90 0.05 0.00 0.26 0.00 0.00 34.13 31.39 3i3d s GLU 241 CO 0.09 -0.09 -0.12 0.00 -0.54 0.00 0.00 175.26 174.60 3i3d s ALA 242 N 1.16 2.28 -0.19 6.30 0.00 0.58 -0.72 121.76 131.18 3i3d s ALA 242 Ca 0.02 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.40 3i3d s ALA 242 Cb -0.14 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3i3d s ALA 242 CO -0.02 -0.89 0.32 -2.00 0.00 0.00 0.00 175.76 173.17 3i3d s GLU 243 N 1.26 4.19 -0.04 0.00 2.12 -0.28 -0.78 118.70 125.17 3i3d s GLU 243 Ca -0.03 0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.45 3i3d s GLU 243 Cb -0.17 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 3i3d s GLU 243 CO -0.08 0.08 -0.25 0.08 -0.54 0.00 0.00 175.26 174.55 3i3d s VAL 244 N 0.97 2.12 0.04 3.70 1.01 0.13 -0.52 120.40 127.84 3i3d s VAL 244 Ca 0.16 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3i3d s VAL 244 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3i3d s VAL 244 CO 0.06 0.57 -0.24 -1.10 0.00 0.00 0.00 175.10 174.39 3i3d s GLN 245 N -0.37 1.68 0.28 2.72 -0.21 0.47 -1.93 119.66 122.30 3i3d s GLN 245 Ca 0.03 -1.02 0.05 0.00 0.02 0.00 0.00 55.36 54.44 3i3d s GLN 245 Cb -0.12 -1.81 -0.06 0.00 1.00 0.00 0.00 33.01 32.02 3i3d s GLN 245 CO 0.02 0.47 -0.02 0.00 -2.12 0.00 0.00 175.29 173.63 3i3d s MET 246 N -1.13 1.52 0.12 2.91 0.23 -0.84 0.16 119.30 122.27 3i3d s MET 246 Ca 0.10 -1.78 0.04 0.00 -1.03 0.00 0.00 55.69 53.01 3i3d s MET 246 Cb -0.09 -0.98 -0.04 0.00 -1.53 0.00 0.00 34.83 32.18 3i3d s MET 246 CO 0.02 -0.04 -0.10 0.00 -2.03 0.00 0.00 175.02 172.87 3i3d n GLY 248 N 0.08 -0.79 3.72 0.00 0.00 -1.25 -0.96 105.19 105.99 3i3d n GLY 248 Ca -0.12 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 3i3d n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3d s GLU 249 N -0.12 4.57 0.06 1.61 2.12 -1.26 -4.99 118.70 120.68 3i3d s GLU 249 Ca 0.00 1.35 -0.30 0.00 0.36 0.00 0.00 54.97 56.38 3i3d s GLU 249 Cb 0.00 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3i3d s GLU 249 CO 0.00 0.03 0.99 -0.51 -0.54 0.00 0.00 175.26 175.22 3i3d s LEU 250 N 0.75 4.43 0.00 2.70 1.43 -1.26 -4.98 118.68 121.76 3i3d s LEU 250 Ca 0.49 1.75 0.01 0.00 -1.03 0.00 0.00 54.13 55.35 3i3d s LEU 250 Cb -0.21 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3i3d s LEU 250 CO 0.27 -0.18 -0.05 -0.13 0.23 0.00 0.00 176.35 176.49 3i3d s ARG 251 N 0.53 0.36 0.62 1.70 1.81 -1.26 -5.04 118.95 117.67 3i3d s ARG 251 Ca 0.50 -0.24 0.35 0.00 -1.72 0.00 0.00 55.73 54.62 3i3d s ARG 251 Cb -0.23 -0.31 2.01 0.00 -0.45 0.00 0.00 34.95 35.98 3i3d s ARG 251 CO 0.29 0.08 2.27 -0.44 -0.68 0.00 0.00 175.30 176.82 3i3d h ASP 252 N 5.80 0.00 0.62 0.23 3.32 -2.00 -1.42 116.42 122.97 3i3d h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3i3d h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i3d h ASP 252 CO 0.49 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 177.90 3i3d n TYR 253 N -3.54 0.00 -2.17 4.55 0.18 -1.26 -4.88 117.16 110.03 3i3d n TYR 253 Ca -0.02 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.37 3i3d n TYR 253 Cb 0.12 -0.31 -0.01 0.00 -0.38 0.00 0.00 39.34 38.76 3i3d n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3i3d s LEU 254 N -2.73 4.18 0.07 -3.48 1.43 -0.54 0.08 118.68 117.69 3i3d s LEU 254 Ca 0.22 2.48 -0.04 0.00 -1.03 0.00 0.00 54.13 55.76 3i3d s LEU 254 Cb 0.19 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3i3d s LEU 254 CO 0.52 -0.80 0.07 -0.13 0.23 0.00 0.00 176.35 176.24 3i3d s ARG 255 N -2.32 0.71 -0.06 1.70 1.81 0.26 -4.18 118.95 116.87 3i3d s ARG 255 Ca 0.58 -1.09 0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3i3d s ARG 255 Cb -0.34 0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.45 3i3d s ARG 255 CO 0.43 -0.18 -0.09 0.08 -0.68 0.00 0.00 175.30 174.86 3i3d s VAL 256 N -3.83 0.86 -0.10 3.52 1.01 -0.40 -1.05 120.40 120.40 3i3d s VAL 256 Ca 0.06 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3i3d s VAL 256 Cb 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.63 3i3d s VAL 256 CO -0.10 0.29 -0.18 -0.89 0.00 0.00 0.00 175.10 174.22 3i3d s THR 257 N 0.80 1.67 -0.19 3.92 2.01 -0.28 -1.71 115.64 121.87 3i3d s THR 257 Ca -0.13 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 3i3d s THR 257 Cb -0.15 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.87 3i3d s THR 257 CO 0.02 0.47 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.62 3i3d s VAL 258 N 0.71 2.86 0.03 3.82 1.01 0.18 -0.85 120.40 128.16 3i3d s VAL 258 Ca -0.12 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.27 3i3d s VAL 258 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3i3d s VAL 258 CO 0.03 0.48 -0.25 -0.44 0.00 0.00 0.00 175.10 174.92 3i3d s SER 259 N 1.22 3.28 -0.11 3.32 0.01 -0.71 -1.12 113.70 119.59 3i3d s SER 259 Ca 0.02 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.76 3i3d s SER 259 Cb -0.14 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 3i3d s SER 259 CO -0.05 0.27 -0.14 -0.22 0.41 0.00 0.00 173.24 173.51 3i3d s LEU 260 N -1.17 2.67 0.02 2.44 2.96 0.05 -0.92 118.68 124.73 3i3d s LEU 260 Ca 0.12 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3i3d s LEU 260 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3i3d s LEU 260 CO 0.02 0.19 -0.22 0.26 -1.32 0.00 0.00 176.35 175.29 3i3d s TRP 261 N 0.18 1.92 -0.33 5.38 0.52 0.12 -1.16 118.94 125.57 3i3d s TRP 261 Ca -0.08 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.70 3i3d s TRP 261 Cb -0.15 -1.19 0.09 0.00 -1.15 0.00 0.00 33.47 31.07 3i3d s TRP 261 CO 0.05 0.04 0.02 -1.14 0.02 0.00 0.00 176.95 175.95 3i3d s GLN 262 N -0.90 1.66 7.00 4.98 2.00 0.39 -0.67 119.66 134.12 3i3d s GLN 262 Ca 0.08 -1.76 0.00 0.00 -2.00 0.00 0.00 55.36 51.68 3i3d s GLN 262 Cb -0.09 -3.15 0.00 0.00 0.80 0.00 0.00 33.01 30.57 3i3d s GLN 262 CO 0.01 -0.86 0.00 0.41 -0.50 0.00 0.00 175.29 174.34 3i3d n GLY 263 N 4.30 2.48 1.56 2.59 0.00 -1.26 -1.44 105.19 113.42 3i3d n GLY 263 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.75 3i3d n GLY 263 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i3d n GLU 264 N 13.36 3.85 -4.20 1.61 0.28 -1.26 -4.88 120.64 129.40 3i3d n GLU 264 Ca 0.00 -2.61 -0.34 0.00 -0.16 0.00 0.00 57.16 54.04 3i3d n GLU 264 Cb 0.00 -1.98 -0.12 0.00 1.43 0.00 0.00 31.44 30.77 3i3d n GLU 264 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3i3d s THR 265 N -2.14 3.91 -0.39 3.84 2.01 -0.52 -5.07 115.64 117.29 3i3d s THR 265 Ca 0.46 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 3i3d s THR 265 Cb 0.32 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3i3d s THR 265 CO 0.18 0.46 0.97 -1.58 -0.69 0.00 0.00 174.62 173.96 3i3d s GLN 266 N 0.75 3.81 0.19 4.92 0.74 -1.26 -0.46 119.66 128.34 3i3d s GLN 266 Ca -0.01 0.58 0.22 0.00 0.05 0.00 0.00 55.36 56.20 3i3d s GLN 266 Cb -0.14 -3.83 -0.01 0.00 1.10 0.00 0.00 33.01 30.13 3i3d s GLN 266 CO 0.02 -1.04 1.02 -0.39 -0.55 0.00 0.00 175.29 174.36 3i3d h VAL 267 N 5.90 0.07 -2.14 1.34 -1.51 -1.50 -3.49 116.25 114.92 3i3d h VAL 267 Ca -0.23 -1.13 0.03 0.00 -1.23 0.00 0.00 66.70 64.14 3i3d h VAL 267 Cb 1.07 1.58 -0.18 0.00 -2.13 0.00 0.00 31.29 31.63 3i3d h VAL 267 CO 1.01 0.04 0.38 0.00 -1.23 0.00 0.00 177.57 177.77 3i3d s ALA 268 N -3.30 -1.80 -0.06 5.19 0.00 -1.20 -5.01 121.76 115.57 3i3d s ALA 268 Ca -0.01 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 3i3d s ALA 268 Cb 0.09 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.35 3i3d s ALA 268 CO 0.79 -0.52 0.51 0.45 0.00 0.00 0.00 175.76 176.99 3i3d s SER 269 N -1.81 -0.45 -0.07 0.00 0.15 -1.26 -0.77 113.70 109.49 3i3d s SER 269 Ca -0.02 0.52 -0.07 0.00 0.70 0.00 0.00 55.95 57.08 3i3d s SER 269 Cb -0.01 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 3i3d s SER 269 CO -0.02 -0.48 0.19 -0.83 1.20 0.00 0.00 173.24 173.31 3i3d s GLY 270 N -1.01 -0.13 0.03 9.45 0.00 -0.27 -4.99 107.32 110.39 3i3d s GLY 270 Ca -0.10 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.14 3i3d s GLY 270 CO 0.06 0.41 -0.10 -1.59 0.00 0.00 0.00 173.10 171.88 3i3d s THR 271 N -0.03 0.78 -0.07 0.90 2.01 -1.26 -0.64 115.64 117.33 3i3d s THR 271 Ca -0.01 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3i3d s THR 271 Cb -0.02 -0.74 0.11 0.00 0.01 0.00 0.00 72.50 71.86 3i3d s THR 271 CO 0.00 -0.10 0.93 0.00 -0.69 0.00 0.00 174.62 174.77 3i3d s ALA 272 N -0.87 -1.87 0.68 7.40 0.00 -0.69 -4.99 121.76 121.42 3i3d s ALA 272 Ca -0.02 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 3i3d s ALA 272 Cb -0.07 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3i3d s ALA 272 CO 0.01 -0.55 1.03 -1.25 0.00 0.00 0.00 175.76 175.00 3i3d s PRO 273 N -2.39 2.62 0.66 0.00 0.04 -1.26 -1.27 135.00 133.39 3i3d s PRO 273 Ca 0.03 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 61.05 3i3d s PRO 273 Cb -0.01 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 3i3d s PRO 273 CO -0.05 -1.05 1.09 -0.06 0.04 0.00 0.00 177.00 176.97 3i3d s PHE 274 N -3.25 2.76 0.00 0.56 0.40 -1.26 -4.87 117.98 112.32 3i3d s PHE 274 Ca 0.58 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 58.44 3i3d s PHE 274 Cb -0.11 -3.08 0.00 0.00 0.51 0.00 0.00 43.02 40.34 3i3d s PHE 274 CO 0.48 -1.50 0.00 0.41 0.70 0.00 0.00 175.22 175.31 3i3d n GLY 275 N -0.86 2.43 3.93 4.36 0.00 0.48 -4.97 105.19 110.56 3i3d n GLY 275 Ca 0.09 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 3i3d n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i3d s GLY 276 N 0.00 1.73 0.70 -0.02 0.00 0.13 -4.77 107.32 105.09 3i3d s GLY 276 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.47 3i3d s GLY 276 CO 0.00 -0.45 1.10 -1.83 0.00 0.00 0.00 173.10 171.91 3i3d s GLU 277 N -5.70 2.64 0.23 2.90 -1.05 -1.26 -4.56 118.70 111.89 3i3d s GLU 277 Ca 0.70 1.27 -0.31 0.00 -0.15 0.00 0.00 54.97 56.47 3i3d s GLU 277 Cb -0.06 -1.94 -0.11 0.00 -0.44 0.00 0.00 34.13 31.58 3i3d s GLU 277 CO 0.51 -1.36 1.65 0.42 0.95 0.00 0.00 175.26 177.43 3i3d s ILE 278 N -2.61 2.16 -0.08 1.83 1.01 -1.26 -4.41 121.20 117.85 3i3d s ILE 278 Ca 0.64 0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.50 3i3d s ILE 278 Cb -0.18 -3.08 -0.14 0.00 0.01 0.00 0.00 42.46 39.07 3i3d s ILE 278 CO 0.47 0.01 0.09 2.30 0.00 0.00 0.00 174.94 177.82 3i3d n ILE 279 N 3.44 0.50 -3.24 2.92 -5.35 0.50 -4.92 119.36 113.21 3i3d n ILE 279 Ca 0.13 -0.38 -0.02 0.00 -0.27 0.00 0.00 62.75 62.22 3i3d n ILE 279 Cb 0.36 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 3i3d n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3i3d n ASP 280 N -2.23 -0.41 0.29 7.28 5.68 -1.02 -5.03 116.55 121.11 3i3d n ASP 280 Ca -0.12 -1.31 0.17 0.00 -0.50 0.00 0.00 54.79 53.03 3i3d n ASP 280 Cb 0.68 0.69 0.88 0.00 -1.14 0.00 0.00 41.12 42.22 3i3d n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i3d h GLU 281 N 0.00 0.00 -0.21 0.11 3.07 -2.05 -0.57 114.58 114.92 3i3d h GLU 281 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3i3d h GLU 281 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3i3d h GLU 281 CO 0.08 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.23 3i3d n ARG 282 N -3.13 2.13 0.00 2.33 5.12 -1.26 -5.07 116.66 116.78 3i3d n ARG 282 Ca -0.01 -1.69 0.00 0.00 -1.93 0.00 0.00 57.85 54.22 3i3d n ARG 282 Cb 0.36 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 3i3d n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i3d n GLY 283 N 1.32 0.62 0.50 -0.13 0.00 -0.23 -5.06 105.19 102.21 3i3d n GLY 283 Ca 0.17 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 3i3d n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 284 N 0.00 3.53 3.56 -0.02 0.00 -1.26 -0.37 105.19 110.63 3i3d n GLY 284 Ca 0.00 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 3i3d n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i3d s TYR 285 N -3.15 2.88 -0.44 1.61 1.51 -1.26 -4.88 117.35 113.62 3i3d s TYR 285 Ca 0.05 0.37 0.26 0.00 -1.01 0.00 0.00 57.07 56.74 3i3d s TYR 285 Cb 0.00 -4.05 0.85 0.00 -0.11 0.00 0.00 41.96 38.65 3i3d s TYR 285 CO 0.04 -1.17 1.76 0.00 -1.11 0.00 0.00 175.55 175.07 3i3d h ALA 286 N 9.14 1.00 -0.53 3.71 0.00 -1.93 0.38 119.26 131.03 3i3d h ALA 286 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3i3d h ALA 286 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i3d h ALA 286 CO 1.05 0.00 0.01 -0.40 0.00 0.00 0.00 179.25 179.91 3i3d n ASP 287 N -2.61 5.45 -4.11 0.00 5.75 -1.26 -3.32 116.55 116.44 3i3d n ASP 287 Ca 0.03 -2.96 -0.08 0.00 -0.01 0.00 0.00 54.79 51.77 3i3d n ASP 287 Cb 0.38 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.70 3i3d n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i3d s ARG 288 N -2.80 0.73 -0.17 0.11 0.52 -1.18 -1.98 118.95 114.18 3i3d s ARG 288 Ca 0.53 -1.30 -0.25 0.00 -0.52 0.00 0.00 55.73 54.19 3i3d s ARG 288 Cb 0.41 0.20 0.06 0.00 0.52 0.00 0.00 34.95 36.14 3i3d s ARG 288 CO 0.15 -0.16 0.65 0.54 0.02 0.00 0.00 175.30 176.50 3i3d s VAL 289 N -3.95 0.00 -0.18 3.52 0.11 -0.81 -0.39 120.40 118.70 3i3d s VAL 289 Ca 0.13 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3i3d s VAL 289 Cb 0.08 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3i3d s VAL 289 CO -0.06 -0.01 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.63 3i3d s THR 290 N -0.24 2.29 -0.12 5.04 2.01 -1.26 -0.69 115.64 122.67 3i3d s THR 290 Ca -0.04 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 3i3d s THR 290 Cb -0.03 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3i3d s THR 290 CO 0.04 0.52 0.15 -0.76 -0.69 0.00 0.00 174.62 173.88 3i3d s LEU 291 N 1.23 4.39 -0.13 4.42 2.01 0.04 -4.93 118.68 125.72 3i3d s LEU 291 Ca 0.03 0.49 0.01 0.00 0.01 0.00 0.00 54.13 54.67 3i3d s LEU 291 Cb -0.14 -2.09 0.02 0.00 0.01 0.00 0.00 46.19 43.99 3i3d s LEU 291 CO -0.10 0.41 -0.14 -0.13 1.01 0.00 0.00 176.35 177.40 3i3d s ARG 292 N -1.03 2.22 -0.07 1.70 0.52 -1.26 -0.31 118.95 120.73 3i3d s ARG 292 Ca 0.15 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 3i3d s ARG 292 Cb -0.12 -1.97 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 3i3d s ARG 292 CO 0.04 -0.15 -0.21 -0.51 0.02 0.00 0.00 175.30 174.49 3i3d s LEU 293 N 1.25 2.29 0.02 2.53 1.43 0.66 -4.93 118.68 121.93 3i3d s LEU 293 Ca -0.01 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 3i3d s LEU 293 Cb -0.14 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 3i3d s LEU 293 CO -0.06 0.25 0.53 0.20 0.23 0.00 0.00 176.35 177.49 3i3d s ASN 294 N -0.17 6.95 -0.16 2.29 0.01 -1.26 0.30 114.94 122.90 3i3d s ASN 294 Ca -0.02 1.13 -0.01 0.00 -0.71 0.00 0.00 52.86 53.24 3i3d s ASN 294 Cb -0.14 -2.33 0.05 0.00 0.41 0.00 0.00 41.25 39.24 3i3d s ASN 294 CO 0.04 0.23 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.16 3i3d s VAL 295 N -0.77 0.76 -0.00 1.60 1.01 0.10 -4.88 120.40 118.22 3i3d s VAL 295 Ca 0.28 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 3i3d s VAL 295 Cb -0.18 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3i3d s VAL 295 CO 0.17 0.02 0.62 -1.61 0.00 0.00 0.00 175.10 174.30 3i3d s GLU 296 N 1.78 4.35 -1.22 2.72 0.41 -1.26 -0.61 118.70 124.86 3i3d s GLU 296 Ca 0.01 0.78 -0.13 0.00 -0.41 0.00 0.00 54.97 55.22 3i3d s GLU 296 Cb -0.15 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 28.84 3i3d s GLU 296 CO -0.07 0.33 0.69 0.09 -0.49 0.00 0.00 175.26 175.81 3i3d n ASN 297 N 2.82 -3.61 -4.76 -0.19 4.13 0.29 -4.90 115.26 109.05 3i3d n ASN 297 Ca -0.06 -0.99 -0.37 0.00 1.68 0.00 0.00 54.58 54.85 3i3d n ASN 297 Cb 0.51 -3.42 0.02 0.00 -1.54 0.00 0.00 39.78 35.35 3i3d n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i3d s PRO 298 N -6.09 3.25 -0.18 3.52 0.04 -1.26 -4.94 135.00 129.35 3i3d s PRO 298 Ca 0.30 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.93 3i3d s PRO 298 Cb -0.11 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 3i3d s PRO 298 CO 0.86 -0.99 0.97 0.15 0.04 0.00 0.00 177.00 178.02 3i3d s LYS 299 N -3.07 4.31 0.37 4.56 1.02 -1.26 -5.00 119.74 120.68 3i3d s LYS 299 Ca 0.72 1.26 -0.22 0.00 0.02 0.00 0.00 55.97 57.75 3i3d s LYS 299 Cb -0.31 -3.59 -0.10 0.00 -0.52 0.00 0.00 37.83 33.30 3i3d s LYS 299 CO 0.36 -0.45 0.92 -0.51 -0.92 0.00 0.00 175.35 174.74 3i3d s LEU 300 N 2.55 4.11 -0.07 3.17 1.43 -1.26 -4.50 118.68 124.11 3i3d s LEU 300 Ca 0.43 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 3i3d s LEU 300 Cb -0.16 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.73 3i3d s LEU 300 CO 0.11 -0.23 0.28 0.86 0.23 0.00 0.00 176.35 177.60 3i3d s TRP 301 N -1.94 3.64 0.27 0.29 -0.00 0.51 -4.03 118.94 117.68 3i3d s TRP 301 Ca 0.56 0.75 -0.21 0.00 -0.00 0.00 0.00 56.10 57.20 3i3d s TRP 301 Cb -0.13 -2.14 0.02 0.00 -0.00 0.00 0.00 33.47 31.22 3i3d s TRP 301 CO 0.17 0.64 0.71 -1.54 -0.00 0.00 0.00 176.95 176.94 3i3d s SER 302 N -0.88 -0.28 0.50 5.86 1.04 -0.81 -4.64 113.70 114.49 3i3d s SER 302 Ca 0.19 -0.56 0.29 0.00 0.48 0.00 0.00 55.95 56.35 3i3d s SER 302 Cb -0.14 0.72 1.13 0.00 0.10 0.00 0.00 66.02 67.82 3i3d s SER 302 CO 0.08 -1.31 1.90 0.00 0.98 0.00 0.00 173.24 174.89 3i3d h ALA 303 N 2.00 1.01 -0.08 5.32 0.00 -1.91 -2.34 119.26 123.27 3i3d h ALA 303 Ca -0.20 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3i3d h ALA 303 Cb 1.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i3d h ALA 303 CO 0.24 0.11 -0.49 0.93 0.00 0.00 0.00 179.25 180.04 3i3d h GLU 304 N 0.00 0.47 -2.84 0.00 5.08 -1.94 -3.42 114.58 111.94 3i3d h GLU 304 Ca -0.00 -0.40 -0.57 0.00 -1.00 0.00 0.00 59.36 57.39 3i3d h GLU 304 Cb 0.64 0.09 -0.40 0.00 0.50 0.00 0.00 28.75 29.58 3i3d h GLU 304 CO 0.01 1.04 -0.80 0.42 -1.00 0.00 0.00 179.01 178.68 3i3d s ILE 305 N -3.57 0.32 -0.78 3.13 1.01 -1.10 -4.99 121.20 115.22 3i3d s ILE 305 Ca -0.13 -1.45 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 3i3d s ILE 305 Cb 0.05 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 3i3d s ILE 305 CO 0.82 -0.85 2.26 -0.81 0.00 0.00 0.00 174.94 176.36 3i3d n PRO 306 N 4.50 2.05 -1.88 2.79 -0.04 -0.90 -1.92 135.00 139.60 3i3d n PRO 306 Ca 0.04 -1.34 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 3i3d n PRO 306 Cb 0.39 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 3i3d n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i3d s ASN 307 N 3.06 6.53 0.04 3.54 0.01 -1.26 -4.87 114.94 122.00 3i3d s ASN 307 Ca 0.43 2.69 0.04 0.00 -0.71 0.00 0.00 52.86 55.31 3i3d s ASN 307 Cb 0.13 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 3i3d s ASN 307 CO -0.03 -0.86 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.82 3i3d s LEU 308 N 1.09 2.20 0.41 0.60 1.43 -1.26 -4.23 118.68 118.91 3i3d s LEU 308 Ca 0.71 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 3i3d s LEU 308 Cb -0.45 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.24 3i3d s LEU 308 CO 0.32 -0.04 0.08 -0.31 0.23 0.00 0.00 176.35 176.63 3i3d s TYR 309 N -1.00 2.56 -0.15 0.29 1.51 0.16 -4.76 117.35 115.96 3i3d s TYR 309 Ca -0.02 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 3i3d s TYR 309 Cb -0.08 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 3i3d s TYR 309 CO 0.01 0.34 -0.20 0.50 -1.11 0.00 0.00 175.55 175.09 3i3d s ARG 310 N -3.79 3.07 -0.19 -0.62 6.06 0.16 -0.42 118.95 123.22 3i3d s ARG 310 Ca 0.38 -0.82 -0.06 0.00 -2.50 0.00 0.00 55.73 52.72 3i3d s ARG 310 Cb 0.07 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.54 3i3d s ARG 310 CO 0.20 -0.03 0.02 0.00 -2.50 0.00 0.00 175.30 173.00 3i3d s ALA 311 N 0.87 3.18 -0.14 6.12 0.00 -0.77 0.11 121.76 131.13 3i3d s ALA 311 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3i3d s ALA 311 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 3i3d s ALA 311 CO -0.02 0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.68 3i3d s VAL 312 N 0.68 2.67 -0.29 0.00 1.01 -0.09 -2.05 120.40 122.32 3i3d s VAL 312 Ca 0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 3i3d s VAL 312 Cb -0.14 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3i3d s VAL 312 CO 0.02 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 175.05 3i3d s VAL 313 N 0.59 4.19 -0.14 2.92 1.01 0.57 -1.74 120.40 127.80 3i3d s VAL 313 Ca -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3i3d s VAL 313 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3i3d s VAL 313 CO 0.03 0.11 -0.12 -1.61 0.00 0.00 0.00 175.10 173.51 3i3d s GLU 314 N 1.55 3.39 -0.23 2.72 2.02 -0.03 -0.95 118.70 127.16 3i3d s GLU 314 Ca 0.04 -0.67 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 3i3d s GLU 314 Cb -0.17 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 3i3d s GLU 314 CO 0.04 0.16 0.15 -1.17 0.02 0.00 0.00 175.26 174.45 3i3d s LEU 315 N 0.50 4.15 0.36 1.80 2.96 0.14 -1.12 118.68 127.46 3i3d s LEU 315 Ca -0.08 0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.83 3i3d s LEU 315 Cb -0.16 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.47 3i3d s LEU 315 CO 0.04 0.11 0.72 -1.38 -1.32 0.00 0.00 176.35 174.52 3i3d s HIS 316 N 0.82 0.20 0.33 5.38 -3.43 -0.22 -0.87 115.29 117.49 3i3d s HIS 316 Ca 0.08 -0.77 -0.01 0.00 -0.80 0.00 0.00 55.06 53.56 3i3d s HIS 316 Cb -0.13 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 3i3d s HIS 316 CO 0.02 -1.43 0.54 0.95 -2.00 0.00 0.00 174.74 172.82 3i3d s THR 317 N -2.77 5.10 0.41 -5.38 -4.23 -0.27 0.90 115.64 109.40 3i3d s THR 317 Ca 0.17 -0.36 0.13 0.00 -1.18 0.00 0.00 61.69 60.44 3i3d s THR 317 Cb -0.04 -3.83 0.33 0.00 1.34 0.00 0.00 72.50 70.30 3i3d s THR 317 CO 0.12 -0.49 1.93 0.00 -0.54 0.00 0.00 174.62 175.64 3i3d h ALA 318 N 1.01 1.98 0.00 3.99 0.00 -0.66 0.03 119.26 125.61 3i3d h ALA 318 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i3d h ALA 318 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i3d h ALA 318 CO 0.63 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 3i3d n ASP 319 N -4.49 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 111.68 3i3d n ASP 319 Ca 0.13 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 3i3d n ASP 319 Cb 0.43 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3i3d n ASP 319 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i3d n GLY 320 N 0.37 0.51 3.69 6.12 0.00 -0.00 -5.07 105.19 110.80 3i3d n GLY 320 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3i3d n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3d s THR 321 N -2.00 4.27 0.22 2.61 2.01 -1.25 -4.82 115.64 116.67 3i3d s THR 321 Ca 0.00 1.59 -0.30 0.00 0.31 0.00 0.00 61.69 63.29 3i3d s THR 321 Cb 0.00 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 3i3d s THR 321 CO 0.00 -0.00 0.99 -0.22 -0.69 0.00 0.00 174.62 174.70 3i3d s LEU 322 N 2.21 4.59 -0.23 4.42 2.96 -1.26 -1.12 118.68 130.25 3i3d s LEU 322 Ca 0.56 2.00 -0.10 0.00 -0.22 0.00 0.00 54.13 56.37 3i3d s LEU 322 Cb -0.24 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.73 3i3d s LEU 322 CO 0.22 0.02 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.60 3i3d n ILE 323 N 1.76 1.24 -3.52 6.68 5.41 -0.05 -4.95 119.36 125.94 3i3d n ILE 323 Ca -0.01 -0.33 -0.08 0.00 1.00 0.00 0.00 62.75 63.33 3i3d n ILE 323 Cb 0.47 -1.76 -0.02 0.00 -0.71 0.00 0.00 39.64 37.62 3i3d n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3i3d s GLU 324 N -2.42 0.76 0.01 0.38 -1.05 -1.07 -4.87 118.70 110.44 3i3d s GLU 324 Ca -0.31 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 3i3d s GLU 324 Cb 0.12 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 34.15 3i3d s GLU 324 CO 0.41 -0.32 -0.02 0.00 0.95 0.00 0.00 175.26 176.28 3i3d s ALA 325 N -2.81 0.10 0.34 -0.84 0.00 -0.26 -0.68 121.76 117.60 3i3d s ALA 325 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.84 3i3d s ALA 325 Cb -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 3i3d s ALA 325 CO -0.07 -0.03 0.07 -1.21 0.00 0.00 0.00 175.76 174.52 3i3d s GLU 326 N -0.44 1.70 0.07 0.00 0.41 -0.13 -1.89 118.70 118.42 3i3d s GLU 326 Ca -0.04 -1.97 -0.27 0.00 -0.41 0.00 0.00 54.97 52.28 3i3d s GLU 326 Cb -0.03 -0.79 0.09 0.00 -1.78 0.00 0.00 34.13 31.62 3i3d s GLU 326 CO -0.00 -0.26 1.13 0.00 -0.49 0.00 0.00 175.26 175.64 3i3d s ALA 327 N -3.30 -1.95 0.20 5.21 0.00 -1.26 -0.31 121.76 120.34 3i3d s ALA 327 Ca 0.33 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 3i3d s ALA 327 Cb 0.07 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.79 3i3d s ALA 327 CO 0.15 -1.06 0.67 0.00 0.00 0.00 0.00 175.76 175.52 3i3d s ASP 329 N -2.81 7.40 -0.11 0.00 1.01 -1.26 -1.86 116.67 119.04 3i3d s ASP 329 Ca 0.05 1.70 0.03 0.00 0.71 0.00 0.00 52.55 55.05 3i3d s ASP 329 Cb -0.03 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3i3d s ASP 329 CO -0.05 0.15 -0.23 -0.69 0.21 0.00 0.00 175.17 174.56 3i3d s VAL 330 N -1.24 2.06 -0.25 -1.27 1.01 0.44 -4.75 120.40 116.40 3i3d s VAL 330 Ca 0.39 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3i3d s VAL 330 Cb -0.23 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3i3d s VAL 330 CO 0.27 0.56 -0.04 -0.83 0.00 0.00 0.00 175.10 175.05 3i3d s GLY 331 N 0.51 1.65 -0.55 4.51 0.00 -1.26 -0.67 107.32 111.50 3i3d s GLY 331 Ca -0.15 -1.41 -0.28 0.00 0.00 0.00 0.00 44.72 42.88 3i3d s GLY 331 CO 0.05 0.52 1.42 -1.36 0.00 0.00 0.00 173.10 173.73 3i3d s PHE 332 N 1.37 2.29 -0.06 1.90 0.40 -1.26 -4.82 117.98 117.80 3i3d s PHE 332 Ca 0.01 0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 56.56 3i3d s PHE 332 Cb -0.16 -4.38 0.06 0.00 0.51 0.00 0.00 43.02 39.04 3i3d s PHE 332 CO -0.03 -1.98 0.62 -0.98 0.70 0.00 0.00 175.22 173.55 3i3d s ARG 333 N 5.47 0.97 -0.12 0.44 3.03 -1.26 -0.36 118.95 127.11 3i3d s ARG 333 Ca 0.53 0.26 0.01 0.00 2.03 0.00 0.00 55.73 58.55 3i3d s ARG 333 Cb -0.11 0.46 -0.01 0.00 -1.03 0.00 0.00 34.95 34.25 3i3d s ARG 333 CO 0.26 -0.28 -0.15 -2.00 -1.13 0.00 0.00 175.30 172.00 3i3d s GLU 334 N -1.05 3.33 -0.13 3.89 2.12 -1.26 -4.90 118.70 120.70 3i3d s GLU 334 Ca -0.10 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.52 3i3d s GLU 334 Cb -0.01 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 3i3d s GLU 334 CO 0.08 0.21 -0.14 0.08 -0.54 0.00 0.00 175.26 174.95 3i3d s VAL 335 N 0.34 2.89 -0.02 3.70 1.01 -1.26 -0.60 120.40 126.45 3i3d s VAL 335 Ca -0.12 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 3i3d s VAL 335 Cb -0.16 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.10 3i3d s VAL 335 CO 0.06 0.52 0.76 0.00 0.00 0.00 0.00 175.10 176.44 3i3d s ARG 336 N 0.44 0.98 -0.21 2.72 1.70 -0.59 -4.65 118.95 119.34 3i3d s ARG 336 Ca -0.11 0.02 -0.06 0.00 -0.47 0.00 0.00 55.73 55.11 3i3d s ARG 336 Cb -0.16 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 3i3d s ARG 336 CO 0.05 -0.35 0.04 0.42 -1.08 0.00 0.00 175.30 174.38 3i3d s ILE 337 N -1.93 4.31 -0.03 4.99 1.01 -1.26 0.95 121.20 129.24 3i3d s ILE 337 Ca -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 3i3d s ILE 337 Cb -0.00 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.53 3i3d s ILE 337 CO 0.01 0.41 0.04 -0.70 0.00 0.00 0.00 174.94 174.70 3i3d s GLU 338 N 1.02 -0.03 -1.39 2.79 2.12 -0.06 -4.85 118.70 118.30 3i3d s GLU 338 Ca 0.03 0.22 -0.06 0.00 0.36 0.00 0.00 54.97 55.52 3i3d s GLU 338 Cb -0.14 -0.27 0.04 0.00 0.26 0.00 0.00 34.13 34.01 3i3d s GLU 338 CO 0.02 -0.19 0.49 -1.71 -0.54 0.00 0.00 175.26 173.34 3i3d n ASN 339 N 4.31 -4.81 0.00 -1.70 5.15 -1.26 -1.50 115.26 115.45 3i3d n ASN 339 Ca -0.25 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.43 3i3d n ASN 339 Cb 0.50 -3.94 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 3i3d n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i3d n GLY 340 N -1.29 0.69 3.20 8.20 0.00 -1.25 -5.05 105.19 109.67 3i3d n GLY 340 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3i3d n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 341 N 0.00 1.99 -0.34 0.99 1.43 -0.56 -2.91 118.68 119.28 3i3d s LEU 341 Ca 0.00 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 3i3d s LEU 341 Cb 0.00 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.14 3i3d s LEU 341 CO 0.00 0.21 1.07 -0.22 0.23 0.00 0.00 176.35 177.64 3i3d s LEU 342 N -0.19 3.90 0.08 1.79 2.96 -1.26 -0.88 118.68 125.08 3i3d s LEU 342 Ca 0.00 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3i3d s LEU 342 Cb -0.11 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 3i3d s LEU 342 CO 0.01 -0.92 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.28 3i3d s LEU 343 N 3.73 3.13 -0.12 -0.68 1.43 0.27 -2.25 118.68 124.19 3i3d s LEU 343 Ca 0.45 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3i3d s LEU 343 Cb -0.11 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3i3d s LEU 343 CO 0.18 0.19 -0.07 -0.22 0.23 0.00 0.00 176.35 176.67 3i3d s LEU 344 N -2.09 1.21 -1.52 1.79 0.20 0.26 -1.54 118.68 116.98 3i3d s LEU 344 Ca 0.21 -0.35 -0.13 0.00 0.69 0.00 0.00 54.13 54.55 3i3d s LEU 344 Cb -0.11 -0.82 0.08 0.00 -0.43 0.00 0.00 46.19 44.91 3i3d s LEU 344 CO 0.13 -0.14 0.95 0.59 -0.29 0.00 0.00 176.35 177.59 3i3d n ASN 345 N 4.95 -4.84 0.00 3.68 3.02 0.23 -1.20 115.26 121.09 3i3d n ASN 345 Ca -0.12 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3i3d n ASN 345 Cb 0.50 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 3i3d n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3d n GLY 346 N -1.66 1.48 3.52 7.41 0.00 -1.26 -5.02 105.19 109.65 3i3d n GLY 346 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3i3d n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3d s LYS 347 N -0.03 2.55 -0.06 1.61 -0.14 -0.34 -5.01 119.74 118.32 3i3d s LYS 347 Ca 0.00 -0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 53.64 3i3d s LYS 347 Cb 0.00 -2.44 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 3i3d s LYS 347 CO 0.00 0.63 1.54 -1.25 -0.76 0.00 0.00 175.35 175.51 3i3d s PRO 348 N -0.86 4.21 0.55 -1.68 0.04 -1.26 -0.58 135.00 135.42 3i3d s PRO 348 Ca 0.12 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 3i3d s PRO 348 Cb -0.11 -3.85 -0.06 0.00 0.04 0.00 0.00 34.50 30.52 3i3d s PRO 348 CO 0.02 -0.77 1.01 -0.51 0.04 0.00 0.00 177.00 176.79 3i3d s LEU 349 N 3.58 3.55 -0.35 -3.56 1.43 -0.95 -4.95 118.68 117.41 3i3d s LEU 349 Ca 0.69 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 55.44 3i3d s LEU 349 Cb -0.31 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.50 3i3d s LEU 349 CO 0.27 -0.82 0.13 -0.22 0.23 0.00 0.00 176.35 175.93 3i3d s LEU 350 N -4.32 2.82 -0.35 1.79 2.96 -1.26 -4.77 118.68 115.55 3i3d s LEU 350 Ca 0.60 -2.02 -0.28 0.00 -0.22 0.00 0.00 54.13 52.21 3i3d s LEU 350 Cb -0.12 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 3i3d s LEU 350 CO 0.35 -0.37 1.72 -0.63 -1.32 0.00 0.00 176.35 176.10 3i3d s ILE 351 N 1.12 3.56 -0.97 6.68 -1.09 0.68 -4.92 121.20 126.25 3i3d s ILE 351 Ca 0.12 0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 59.08 3i3d s ILE 351 Cb -0.20 -3.76 0.27 0.00 -1.58 0.00 0.00 42.46 37.19 3i3d s ILE 351 CO -0.15 -0.48 1.10 0.54 -1.23 0.00 0.00 174.94 174.72 3i3d n ARG 352 N 8.36 3.48 -3.71 2.79 1.74 -1.26 -2.20 116.66 125.86 3i3d n ARG 352 Ca 0.22 -4.53 -0.23 0.00 -0.77 0.00 0.00 57.85 52.53 3i3d n ARG 352 Cb 0.47 -2.45 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 3i3d n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i3d s GLY 353 N -0.77 2.22 -0.05 -0.13 0.00 -0.53 -0.75 107.32 107.30 3i3d s GLY 353 Ca 0.31 -1.70 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 3i3d s GLY 353 CO -0.02 -1.81 0.36 0.54 0.00 0.00 0.00 173.10 172.17 3i3d s VAL 354 N -2.61 0.04 0.09 1.40 0.11 -0.87 -1.14 120.40 117.42 3i3d s VAL 354 Ca 0.43 -0.33 -0.23 0.00 -2.93 0.00 0.00 61.98 58.93 3i3d s VAL 354 Cb -0.02 -0.63 -0.07 0.00 -1.53 0.00 0.00 36.38 34.13 3i3d s VAL 354 CO 0.26 -0.18 0.69 0.20 -3.33 0.00 0.00 175.10 172.74 3i3d s ASN 355 N -0.98 7.20 -0.09 3.54 0.01 0.19 -1.53 114.94 123.28 3i3d s ASN 355 Ca -0.10 1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 53.46 3i3d s ASN 355 Cb -0.04 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.22 3i3d s ASN 355 CO 0.04 0.16 0.00 -0.60 -1.51 0.00 0.00 177.10 175.20 3i3d s ARG 356 N -0.72 0.65 0.49 -0.60 3.52 -1.01 -0.22 118.95 121.07 3i3d s ARG 356 Ca 0.34 0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.90 3i3d s ARG 356 Cb -0.21 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 31.98 3i3d s ARG 356 CO 0.22 -0.35 0.80 -1.01 -0.81 0.00 0.00 175.30 174.15 3i3d s HIS 357 N 1.95 3.55 -0.59 5.12 3.76 -1.26 -3.91 115.29 123.90 3i3d s HIS 357 Ca 0.04 0.82 -0.20 0.00 -0.15 0.00 0.00 55.06 55.57 3i3d s HIS 357 Cb -0.13 -2.33 0.09 0.00 1.11 0.00 0.00 32.58 31.32 3i3d s HIS 357 CO -0.06 -0.31 0.75 -1.21 -0.85 0.00 0.00 174.74 173.06 3i3d s GLU 358 N -4.77 3.07 0.00 1.40 2.02 -1.26 -4.92 118.70 114.24 3i3d s GLU 358 Ca 0.48 -1.16 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 3i3d s GLU 358 Cb -0.10 -4.24 -0.00 0.00 0.10 0.00 0.00 34.13 29.89 3i3d s GLU 358 CO 0.45 -1.56 -0.00 -1.58 0.02 0.00 0.00 175.26 172.59 3i3d s HIS 359 N 2.97 0.05 -0.03 1.61 2.46 -1.26 -4.53 115.29 116.56 3i3d s HIS 359 Ca 0.14 -0.10 -0.00 0.00 0.47 0.00 0.00 55.06 55.57 3i3d s HIS 359 Cb -0.22 -0.04 0.03 0.00 -0.13 0.00 0.00 32.58 32.22 3i3d s HIS 359 CO 0.08 -0.04 0.02 -1.58 -2.47 0.00 0.00 174.74 170.75 3i3d s HIS 360 N -0.30 0.17 0.57 3.88 5.04 0.14 -5.00 115.29 119.79 3i3d s HIS 360 Ca -0.03 0.10 0.27 0.00 -1.54 0.00 0.00 55.06 53.85 3i3d s HIS 360 Cb -0.02 -0.37 1.68 0.00 0.04 0.00 0.00 32.58 33.91 3i3d s HIS 360 CO -0.00 -0.14 2.22 -1.00 -2.34 0.00 0.00 174.74 173.49 3i3d h PRO 361 N 7.56 0.00 0.00 2.88 0.13 -1.80 0.18 132.00 140.96 3i3d h PRO 361 Ca -0.37 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.33 3i3d h PRO 361 Cb 1.12 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 3i3d h PRO 361 CO 0.40 0.01 -2.51 -0.11 -0.23 0.00 0.00 178.00 175.56 3i3d n LEU 362 N -3.99 2.39 -0.94 1.56 7.94 -1.26 -2.07 117.00 120.62 3i3d n LEU 362 Ca -0.03 0.14 0.11 0.00 -1.11 0.00 0.00 56.01 55.12 3i3d n LEU 362 Cb 0.09 -0.86 0.27 0.00 0.53 0.00 0.00 43.42 43.45 3i3d n LEU 362 CO 0.29 0.73 0.72 1.41 -1.11 0.00 0.00 177.39 179.43 3i3d n HIS 363 N -3.83 0.42 0.00 1.96 8.25 -1.21 -4.96 115.22 115.85 3i3d n HIS 363 Ca -0.51 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 3i3d n HIS 363 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 3i3d n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3d n GLY 364 N 1.37 1.97 0.90 -1.41 0.00 0.62 -2.96 105.19 105.69 3i3d n GLY 364 Ca 0.18 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3i3d n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3d n GLN 365 N 3.67 3.06 -2.95 1.61 6.02 -1.26 0.28 117.38 127.80 3i3d n GLN 365 Ca 0.00 -2.55 -0.41 0.00 -0.01 0.00 0.00 57.00 54.04 3i3d n GLN 365 Cb 0.00 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 29.58 3i3d n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i3d s VAL 366 N -2.00 4.97 -0.03 5.09 1.01 -1.15 -4.87 120.40 123.41 3i3d s VAL 366 Ca 0.36 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.90 3i3d s VAL 366 Cb 0.26 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3i3d s VAL 366 CO 0.14 0.16 0.07 -0.04 0.00 0.00 0.00 175.10 175.43 3i3d s MET 367 N 1.34 3.10 0.13 2.72 -1.94 -1.26 -4.72 119.30 118.67 3i3d s MET 367 Ca 0.39 -0.42 0.06 0.00 -1.71 0.00 0.00 55.69 54.01 3i3d s MET 367 Cb -0.18 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 3i3d s MET 367 CO 0.17 0.67 -0.14 0.16 -0.01 0.00 0.00 175.02 175.88 3i3d s ASP 368 N -1.49 2.03 0.26 3.03 -4.77 -1.26 -5.02 116.67 109.44 3i3d s ASP 368 Ca 0.20 -0.83 -0.02 0.00 -3.30 0.00 0.00 52.55 48.60 3i3d s ASP 368 Cb -0.12 -0.07 0.44 0.00 -1.09 0.00 0.00 42.92 42.08 3i3d s ASP 368 CO 0.11 -0.15 1.84 -0.08 0.70 0.00 0.00 175.17 177.58 3i3d h GLU 369 N 3.43 0.93 -0.51 2.11 4.81 -1.99 -2.39 114.58 120.96 3i3d h GLU 369 Ca -0.40 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3i3d h GLU 369 Cb 1.20 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3i3d h GLU 369 CO 0.52 0.61 0.32 0.37 -0.73 0.00 0.00 179.01 180.10 3i3d h GLN 370 N 0.95 0.69 -0.37 1.92 4.15 -1.99 -0.50 115.11 119.96 3i3d h GLN 370 Ca 0.43 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.68 3i3d h GLN 370 Cb 0.34 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3i3d h GLN 370 CO -0.23 0.48 -0.24 1.15 -1.93 0.00 0.00 178.83 178.06 3i3d h THR 371 N 0.69 1.27 -0.17 2.39 2.02 -1.93 -1.81 112.91 115.37 3i3d h THR 371 Ca 0.19 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 3i3d h THR 371 Cb -0.04 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3i3d h THR 371 CO -0.04 0.45 0.06 0.24 0.37 0.00 0.00 175.52 176.60 3i3d h MET 372 N 0.65 0.27 -0.82 6.66 2.86 -1.06 -1.38 114.93 122.10 3i3d h MET 372 Ca 0.09 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3i3d h MET 372 Cb 0.75 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 3i3d h MET 372 CO 0.06 0.38 0.41 0.28 1.06 0.00 0.00 176.91 179.09 3i3d h VAL 373 N 0.11 1.25 -0.60 -2.22 2.07 -1.03 -0.98 116.25 114.85 3i3d h VAL 373 Ca 0.06 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3i3d h VAL 373 Cb 0.22 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3i3d h VAL 373 CO -0.00 0.30 0.37 -0.61 0.02 0.00 0.00 177.57 177.64 3i3d h GLN 374 N 1.16 0.81 -0.29 1.57 4.15 -1.15 0.08 115.11 121.43 3i3d h GLN 374 Ca 0.28 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 3i3d h GLN 374 Cb 0.10 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3i3d h GLN 374 CO -0.04 0.57 0.09 -0.44 -1.93 0.00 0.00 178.83 177.08 3i3d h ASP 375 N 0.81 0.42 -0.78 -0.69 3.32 -0.79 -1.48 116.42 117.24 3i3d h ASP 375 Ca 0.22 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3i3d h ASP 375 Cb -0.04 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3i3d h ASP 375 CO -0.04 0.52 0.35 0.40 -1.72 0.00 0.00 179.24 178.75 3i3d h ILE 376 N 0.30 1.25 -0.27 0.35 2.04 -0.90 0.27 117.51 120.55 3i3d h ILE 376 Ca 0.09 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3i3d h ILE 376 Cb 0.25 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3i3d h ILE 376 CO -0.00 0.31 0.01 -0.07 0.00 0.00 0.00 178.15 178.40 3i3d h LEU 377 N 1.11 0.46 -1.04 1.44 3.38 -0.88 -1.50 115.31 118.28 3i3d h LEU 377 Ca 0.27 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3i3d h LEU 377 Cb 0.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3i3d h LEU 377 CO -0.03 0.65 0.30 -0.07 0.09 0.00 0.00 178.44 179.38 3i3d h LEU 378 N 0.26 0.89 0.09 1.67 3.38 -1.08 -0.51 115.31 120.01 3i3d h LEU 378 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i3d h LEU 378 Cb 0.41 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i3d h LEU 378 CO 0.01 0.78 -0.04 0.24 0.09 0.00 0.00 178.44 179.51 3i3d h MET 379 N 0.97 -0.12 -0.14 1.13 2.86 -0.70 -2.11 114.93 116.82 3i3d h MET 379 Ca 0.23 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 3i3d h MET 379 Cb 0.14 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3i3d h MET 379 CO -0.03 0.07 -0.36 0.87 1.06 0.00 0.00 176.91 178.52 3i3d h LYS 380 N -0.28 0.29 0.00 1.72 1.57 -1.17 -0.99 116.57 117.71 3i3d h LYS 380 Ca -0.01 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3i3d h LYS 380 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3i3d h LYS 380 CO 0.02 0.61 0.00 1.96 -0.57 0.00 0.00 179.45 181.47 3i3d h GLN 381 N 0.25 0.00 -0.46 3.15 4.20 -0.98 -2.35 115.11 118.92 3i3d h GLN 381 Ca 0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 3i3d h GLN 381 Cb 0.75 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.41 3i3d h GLN 381 CO 0.06 0.00 0.07 0.09 -0.67 0.00 0.00 178.83 178.38 3i3d n ASN 382 N -3.05 3.14 -2.79 1.46 3.02 -0.80 -4.97 115.26 111.27 3i3d n ASN 382 Ca -0.00 -3.55 -0.22 0.00 -0.03 0.00 0.00 54.58 50.78 3i3d n ASN 382 Cb 0.26 -0.66 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 3i3d n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i3d n ASN 383 N -0.93 -6.05 -4.86 6.41 3.02 -0.88 -3.93 115.26 108.03 3i3d n ASN 383 Ca 0.35 -0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 3i3d n ASN 383 Cb 1.13 -4.92 -0.06 0.00 -0.61 0.00 0.00 39.78 35.32 3i3d n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i3d s PHE 384 N -3.14 3.64 0.00 3.10 0.40 -0.44 -4.85 117.98 116.70 3i3d s PHE 384 Ca 0.21 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.28 3i3d s PHE 384 Cb -0.09 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.33 3i3d s PHE 384 CO 0.26 0.65 0.71 0.27 0.70 0.00 0.00 175.22 177.81 3i3d n ASN 385 N 1.61 1.21 -3.71 1.36 0.23 0.07 -4.21 115.26 111.82 3i3d n ASN 385 Ca -0.15 -1.50 -0.14 0.00 -0.53 0.00 0.00 54.58 52.27 3i3d n ASN 385 Cb 0.53 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 3i3d n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3d s ALA 386 N -0.50 -0.95 -0.02 -2.53 0.00 -1.13 -0.22 121.76 116.41 3i3d s ALA 386 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 3i3d s ALA 386 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 3i3d s ALA 386 CO 0.00 -0.34 0.06 0.54 0.00 0.00 0.00 175.76 176.02 3i3d s VAL 387 N -1.76 0.01 -0.18 0.00 0.11 0.25 -2.05 120.40 116.80 3i3d s VAL 387 Ca -0.10 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 3i3d s VAL 387 Cb -0.03 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 3i3d s VAL 387 CO 0.02 -0.06 0.00 -0.60 -3.33 0.00 0.00 175.10 171.13 3i3d s ARG 388 N -0.17 3.74 -1.13 1.54 3.52 -0.58 -1.89 118.95 123.98 3i3d s ARG 388 Ca -0.02 -0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 54.93 3i3d s ARG 388 Cb -0.02 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 3i3d s ARG 388 CO 0.00 0.19 2.10 0.00 -0.81 0.00 0.00 175.30 176.78 3i3d s SER 390 N 4.02 6.69 -0.38 0.00 1.04 -1.25 -1.28 113.70 122.53 3i3d s SER 390 Ca 0.52 1.24 0.10 0.00 0.48 0.00 0.00 55.95 58.29 3i3d s SER 390 Cb 0.14 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 64.02 3i3d s SER 390 CO 0.01 -1.06 0.63 1.41 0.98 0.00 0.00 173.24 175.21 3i3d n HIS 391 N 7.57 -0.15 -3.60 5.02 -0.00 -1.26 -4.27 115.22 118.53 3i3d n HIS 391 Ca 0.15 -3.66 -0.04 0.00 -0.00 0.00 0.00 57.72 54.17 3i3d n HIS 391 Cb 0.46 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.99 30.08 3i3d n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3i3d s TYR 392 N -1.76 -0.11 0.41 4.41 -0.85 -0.40 -4.25 117.35 114.79 3i3d s TYR 392 Ca 0.37 0.08 -0.27 0.00 -0.52 0.00 0.00 57.07 56.73 3i3d s TYR 392 Cb 0.26 0.51 -0.10 0.00 0.38 0.00 0.00 41.96 43.01 3i3d s TYR 392 CO -0.10 -0.17 1.47 -2.30 -1.52 0.00 0.00 175.55 172.93 3i3d n PRO 393 N -0.03 2.51 -2.45 -3.49 -0.02 -0.77 -4.56 135.00 126.19 3i3d n PRO 393 Ca 0.01 0.89 -0.24 0.00 -2.02 0.00 0.00 63.50 62.14 3i3d n PRO 393 Cb 0.58 -2.66 0.08 0.00 -0.02 0.00 0.00 33.50 31.48 3i3d n PRO 393 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3i3d s ASN 394 N -0.27 4.63 0.26 2.55 -0.87 -1.26 -4.82 114.94 115.16 3i3d s ASN 394 Ca 0.56 -0.01 -0.31 0.00 -1.57 0.00 0.00 52.86 51.54 3i3d s ASN 394 Cb -0.46 -0.56 -0.13 0.00 -0.02 0.00 0.00 41.25 40.08 3i3d s ASN 394 CO 0.61 -1.66 1.46 1.57 -2.57 0.00 0.00 177.10 176.51 3i3d n HIS 395 N -2.79 2.38 -0.30 2.20 -0.00 -1.26 -4.86 115.22 110.59 3i3d n HIS 395 Ca 0.11 0.39 0.25 0.00 -0.00 0.00 0.00 57.72 58.46 3i3d n HIS 395 Cb 0.60 -2.50 0.57 0.00 -0.00 0.00 0.00 29.99 28.66 3i3d n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3i3d h PRO 396 N 4.29 0.29 -0.13 1.57 0.13 -1.96 -1.42 132.00 134.77 3i3d h PRO 396 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3i3d h PRO 396 Cb 1.26 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3i3d h PRO 396 CO 0.76 0.19 -0.03 1.25 -0.23 0.00 0.00 178.00 179.94 3i3d h LEU 397 N 0.30 0.17 -0.66 1.56 5.85 -2.01 -3.06 115.31 117.46 3i3d h LEU 397 Ca 0.56 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.38 3i3d h LEU 397 Cb 1.60 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 3i3d h LEU 397 CO -0.21 0.24 0.21 -0.25 -0.34 0.00 0.00 178.44 178.09 3i3d h TRP 398 N 0.18 0.35 -0.22 1.25 2.91 -1.61 -1.01 115.95 117.81 3i3d h TRP 398 Ca 0.04 0.04 -0.12 0.00 1.13 0.00 0.00 58.89 59.98 3i3d h TRP 398 Cb 0.19 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 3i3d h TRP 398 CO 0.00 0.03 -0.36 1.88 -1.03 0.00 0.00 178.44 178.96 3i3d h TYR 399 N 0.36 0.56 -0.74 2.65 -1.99 -1.71 -1.27 116.97 114.83 3i3d h TYR 399 Ca 0.35 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 3i3d h TYR 399 Cb 0.51 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 3i3d h TYR 399 CO -0.20 0.78 0.28 1.15 -0.00 0.00 0.00 178.16 180.17 3i3d h THR 400 N 0.41 1.25 -0.29 -2.88 2.02 -1.35 0.16 112.91 112.23 3i3d h THR 400 Ca 0.04 -0.82 -0.15 0.00 0.77 0.00 0.00 66.41 66.25 3i3d h THR 400 Cb 0.83 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3i3d h THR 400 CO 0.07 0.33 -0.44 -0.07 0.37 0.00 0.00 175.52 175.78 3i3d h LEU 401 N 1.07 0.80 -0.79 2.58 3.38 -1.01 -2.50 115.31 118.85 3i3d h LEU 401 Ca 0.24 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3i3d h LEU 401 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i3d h LEU 401 CO -0.02 1.13 -0.40 0.00 0.09 0.00 0.00 178.44 179.24 3i3d h ASP 403 N 0.36 0.72 0.30 0.00 3.32 -0.59 -0.80 116.42 119.73 3i3d h ASP 403 Ca 0.03 -0.20 -0.33 0.00 0.02 0.00 0.00 57.03 56.55 3i3d h ASP 403 Cb 0.86 -0.19 0.03 0.00 0.22 0.00 0.00 39.33 40.25 3i3d h ASP 403 CO 0.07 0.73 -1.51 0.03 -1.72 0.00 0.00 179.24 176.84 3i3d h ARG 404 N 0.67 0.48 0.00 3.56 3.08 -1.27 -3.35 114.38 117.56 3i3d h ARG 404 Ca 0.16 -0.82 -0.17 0.00 0.07 0.00 0.00 59.98 59.23 3i3d h ARG 404 Cb 0.26 0.30 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3i3d h ARG 404 CO -0.01 1.39 -1.00 1.88 -1.07 0.00 0.00 179.97 181.16 3i3d h TYR 405 N 0.13 0.00 -1.00 3.04 -1.99 -0.73 -3.45 116.97 112.97 3i3d h TYR 405 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 3i3d h TYR 405 Cb 2.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.87 3i3d h TYR 405 CO 0.11 0.69 0.00 0.41 -0.00 0.00 0.00 178.16 179.38 3i3d n GLY 406 N 1.34 -0.77 3.18 3.88 0.00 -0.35 -4.78 105.19 107.69 3i3d n GLY 406 Ca -0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3i3d n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 407 N -0.08 0.67 0.05 0.99 1.43 -0.97 -4.66 118.68 116.11 3i3d s LEU 407 Ca 0.00 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 3i3d s LEU 407 Cb 0.00 1.02 -0.04 0.00 0.03 0.00 0.00 46.19 47.20 3i3d s LEU 407 CO 0.00 -0.12 0.98 -0.31 0.23 0.00 0.00 176.35 177.12 3i3d s TYR 408 N 0.48 3.71 0.02 0.29 4.12 0.70 -4.69 117.35 121.98 3i3d s TYR 408 Ca -0.03 1.73 0.08 0.00 0.02 0.00 0.00 57.07 58.88 3i3d s TYR 408 Cb -0.04 -3.10 -0.03 0.00 -1.52 0.00 0.00 41.96 37.27 3i3d s TYR 408 CO -0.02 0.05 -0.24 0.08 0.02 0.00 0.00 175.55 175.43 3i3d s VAL 409 N 0.61 2.27 -0.34 0.71 1.01 0.16 -0.58 120.40 124.23 3i3d s VAL 409 Ca 0.50 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3i3d s VAL 409 Cb -0.22 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.35 3i3d s VAL 409 CO 0.29 0.44 0.10 -0.69 0.00 0.00 0.00 175.10 175.25 3i3d s VAL 410 N -0.76 3.58 -0.18 2.92 1.01 -0.79 -1.26 120.40 124.92 3i3d s VAL 410 Ca 0.12 -1.32 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 3i3d s VAL 410 Cb -0.10 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3i3d s VAL 410 CO 0.01 -0.25 0.74 -0.62 0.00 0.00 0.00 175.10 174.98 3i3d s ASP 411 N 1.49 6.83 -0.07 3.32 2.15 -0.77 -1.40 116.67 128.21 3i3d s ASP 411 Ca -0.01 1.01 0.04 0.00 0.43 0.00 0.00 52.55 54.03 3i3d s ASP 411 Cb -0.20 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 3i3d s ASP 411 CO 0.01 -0.34 -0.19 -0.70 -0.17 0.00 0.00 175.17 173.78 3i3d s GLU 412 N 2.03 2.66 0.46 4.34 2.12 -1.26 -0.94 118.70 128.10 3i3d s GLU 412 Ca 0.34 -0.80 -0.24 0.00 0.36 0.00 0.00 54.97 54.63 3i3d s GLU 412 Cb -0.16 -2.31 -0.07 0.00 0.26 0.00 0.00 34.13 31.85 3i3d s GLU 412 CO 0.11 0.44 1.27 0.00 -0.54 0.00 0.00 175.26 176.54 3i3d s ALA 413 N -0.28 3.06 -1.27 6.30 0.00 -0.55 -1.85 121.76 127.17 3i3d s ALA 413 Ca 0.01 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 3i3d s ALA 413 Cb -0.13 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 3i3d s ALA 413 CO 0.03 -0.89 2.05 -1.71 0.00 0.00 0.00 175.76 175.23 3i3d n ASN 414 N -0.36 3.76 -3.58 0.00 5.15 -1.26 -4.09 115.26 114.88 3i3d n ASN 414 Ca 0.06 -2.81 -0.24 0.00 -0.60 0.00 0.00 54.58 51.00 3i3d n ASN 414 Cb 0.45 -1.57 -0.16 0.00 -0.53 0.00 0.00 39.78 37.97 3i3d n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i3d s ILE 415 N 4.32 -0.16 -0.14 -1.44 1.01 -1.25 -4.75 121.20 118.80 3i3d s ILE 415 Ca 0.52 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 3i3d s ILE 415 Cb 0.11 -0.58 0.06 0.00 0.01 0.00 0.00 42.46 42.07 3i3d s ILE 415 CO 0.00 -0.24 0.30 -0.70 0.00 0.00 0.00 174.94 174.30 3i3d s GLU 416 N 2.19 0.20 -0.27 2.79 2.12 0.50 -0.90 118.70 125.34 3i3d s GLU 416 Ca 0.03 0.76 0.11 0.00 0.36 0.00 0.00 54.97 56.23 3i3d s GLU 416 Cb -0.16 0.01 0.46 0.00 0.26 0.00 0.00 34.13 34.70 3i3d s GLU 416 CO -0.10 -0.25 1.18 0.25 -0.54 0.00 0.00 175.26 175.81 3i3d n THR 417 N 5.07 2.20 -0.34 -1.70 -2.24 -1.12 -1.16 114.28 114.99 3i3d n THR 417 Ca -0.11 -3.78 0.19 0.00 -2.27 0.00 0.00 64.05 58.08 3i3d n THR 417 Cb 0.51 -0.55 0.40 0.00 -2.10 0.00 0.00 70.33 68.59 3i3d n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3i3d h HIS 418 N 2.05 0.98 0.00 4.78 6.17 -1.52 -1.69 115.15 125.93 3i3d h HIS 418 Ca 0.22 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.33 3i3d h HIS 418 Cb 1.44 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 31.08 3i3d h HIS 418 CO 0.76 0.04 0.00 0.41 0.71 0.00 0.00 177.93 179.85 3i3d n GLY 419 N -1.32 -1.11 3.77 5.26 0.00 -1.22 -4.81 105.19 105.76 3i3d n GLY 419 Ca 0.27 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3i3d n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i3d s MET 420 N -2.95 2.27 -0.20 1.61 -1.94 -0.64 -4.79 119.30 112.65 3i3d s MET 420 Ca 0.10 1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 55.23 3i3d s MET 420 Cb 0.12 -1.90 0.06 0.00 2.01 0.00 0.00 34.83 35.12 3i3d s MET 420 CO 0.33 -1.63 0.03 0.08 -0.01 0.00 0.00 175.02 173.82 3i3d s VAL 421 N -2.89 0.60 1.04 -6.03 1.01 -1.26 -3.23 120.40 109.63 3i3d s VAL 421 Ca 0.61 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 3i3d s VAL 421 Cb -0.17 -1.11 0.21 0.00 0.00 0.00 0.00 36.38 35.31 3i3d s VAL 421 CO 0.56 -0.23 1.17 -2.16 0.00 0.00 0.00 175.10 174.43 3i3d s PRO 422 N 1.82 0.11 0.56 2.72 0.04 -1.26 -4.84 135.00 134.14 3i3d s PRO 422 Ca -0.01 0.02 0.24 0.00 0.04 0.00 0.00 61.00 61.30 3i3d s PRO 422 Cb -0.17 -1.74 1.54 0.00 0.04 0.00 0.00 34.50 34.17 3i3d s PRO 422 CO -0.09 -2.84 2.15 1.98 0.04 0.00 0.00 177.00 178.23 3i3d h MET 423 N -1.96 0.00 -0.63 4.56 4.05 -1.86 -2.22 114.93 116.87 3i3d h MET 423 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 3i3d h MET 423 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 3i3d h MET 423 CO 0.46 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.87 3i3d n ASN 424 N -4.14 4.03 -0.33 1.39 6.94 -1.25 -3.85 115.26 118.05 3i3d n ASN 424 Ca -0.00 -2.35 0.12 0.00 -0.02 0.00 0.00 54.58 52.33 3i3d n ASN 424 Cb 0.21 -0.52 0.32 0.00 -2.36 0.00 0.00 39.78 37.43 3i3d n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3i3d h ARG 425 N 3.47 0.77 0.13 -3.83 2.43 -1.71 -1.12 114.38 114.52 3i3d h ARG 425 Ca 0.00 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 3i3d h ARG 425 Cb 1.23 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3i3d h ARG 425 CO 0.18 0.51 -1.76 -0.07 -1.51 0.00 0.00 179.97 177.32 3i3d h LEU 426 N 0.80 0.43 -1.29 3.80 3.38 -1.86 -3.34 115.31 117.23 3i3d h LEU 426 Ca 0.52 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3i3d h LEU 426 Cb 0.76 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3i3d h LEU 426 CO -0.30 1.77 0.00 0.71 0.09 0.00 0.00 178.44 180.71 3i3d h THR 427 N -0.08 0.00 -0.34 0.22 1.35 -1.76 -0.71 112.91 111.58 3i3d h THR 427 Ca -0.38 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3i3d h THR 427 Cb 1.94 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3i3d h THR 427 CO 0.08 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.68 3i3d n ASP 428 N -2.44 3.15 -4.56 5.36 2.03 -0.45 -1.96 116.55 117.68 3i3d n ASP 428 Ca 0.00 -1.91 -0.39 0.00 0.52 0.00 0.00 54.79 53.01 3i3d n ASP 428 Cb 0.15 -0.22 -0.10 0.00 -0.72 0.00 0.00 41.12 40.23 3i3d n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3i3d s ASP 429 N -1.26 6.07 0.63 1.67 -1.08 -0.27 -4.65 116.67 117.78 3i3d s ASP 429 Ca 0.32 -0.21 0.39 0.00 -0.52 0.00 0.00 52.55 52.52 3i3d s ASP 429 Cb 0.19 -2.14 2.16 0.00 -1.46 0.00 0.00 42.92 41.66 3i3d s ASP 429 CO 0.26 -0.18 2.31 1.55 0.52 0.00 0.00 175.17 179.63 3i3d h PRO 430 N 8.43 0.00 0.00 4.34 0.13 -1.90 -0.64 132.00 142.36 3i3d h PRO 430 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3i3d h PRO 430 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3i3d h PRO 430 CO 0.61 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 3i3d h ARG 431 N 0.00 0.00 -0.18 0.86 3.08 -1.93 -2.45 114.38 113.76 3i3d h ARG 431 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i3d h ARG 431 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3i3d h ARG 431 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3i3d n TRP 432 N -2.37 0.22 -0.11 3.04 7.02 -0.25 -4.53 117.44 120.46 3i3d n TRP 432 Ca 0.02 -0.16 -0.10 0.00 -1.02 0.00 0.00 57.50 56.23 3i3d n TRP 432 Cb 0.24 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.10 3i3d n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3i3d h LEU 433 N 3.03 0.46 -0.12 -0.99 5.85 -1.43 -1.93 115.31 120.17 3i3d h LEU 433 Ca 0.00 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3i3d h LEU 433 Cb 0.71 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3i3d h LEU 433 CO 0.00 0.53 -0.18 -0.65 -0.34 0.00 0.00 178.44 177.80 3i3d h PRO 434 N 0.37 -0.22 -0.44 5.25 0.11 -1.80 0.33 132.00 135.60 3i3d h PRO 434 Ca 0.10 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.26 3i3d h PRO 434 Cb 0.22 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 3i3d h PRO 434 CO -0.01 -0.14 0.24 0.00 -0.21 0.00 0.00 178.00 177.88 3i3d h ALA 435 N 0.80 0.56 -0.55 -0.75 0.00 -1.74 -2.59 119.26 114.99 3i3d h ALA 435 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3i3d h ALA 435 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3i3d h ALA 435 CO -0.26 -0.10 -0.01 0.52 0.00 0.00 0.00 179.25 179.41 3i3d h MET 436 N 0.48 0.98 -0.98 0.00 2.86 -0.99 -3.15 114.93 114.13 3i3d h MET 436 Ca 0.19 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3i3d h MET 436 Cb 0.06 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 3i3d h MET 436 CO -0.11 0.99 0.65 0.66 1.06 0.00 0.00 176.91 180.16 3i3d h SER 437 N 0.86 1.10 0.10 1.22 4.64 -0.01 -2.01 113.55 119.46 3i3d h SER 437 Ca 0.16 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3i3d h SER 437 Cb 0.55 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3i3d h SER 437 CO 0.03 0.78 -0.19 -0.33 -0.87 0.00 0.00 176.83 176.25 3i3d h GLU 438 N 1.29 0.17 0.00 4.77 5.08 -1.43 0.21 114.58 124.67 3i3d h GLU 438 Ca 0.37 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3i3d h GLU 438 Cb -0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3i3d h GLU 438 CO -0.10 0.36 -0.35 0.00 -1.00 0.00 0.00 179.01 177.92 3i3d h ARG 439 N 0.16 0.00 0.00 2.33 3.08 -1.37 -2.22 114.38 116.37 3i3d h ARG 439 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 3i3d h ARG 439 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3i3d h ARG 439 CO 0.03 0.35 -0.98 0.28 -1.07 0.00 0.00 179.97 178.58 3i3d h VAL 440 N 0.00 0.64 -0.78 2.04 2.07 -1.09 -3.34 116.25 115.79 3i3d h VAL 440 Ca -0.00 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 3i3d h VAL 440 Cb 0.85 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 3i3d h VAL 440 CO 0.05 0.22 0.39 0.71 0.02 0.00 0.00 177.57 178.96 3i3d h THR 441 N -1.00 1.24 0.00 2.57 1.35 -0.69 -2.24 112.91 114.14 3i3d h THR 441 Ca -0.23 -0.65 -0.08 0.00 -0.55 0.00 0.00 66.41 64.90 3i3d h THR 441 Cb 1.03 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3i3d h THR 441 CO -0.14 0.28 -0.38 0.03 -0.25 0.00 0.00 175.52 175.06 3i3d h ARG 442 N 1.09 0.00 0.09 4.72 3.08 -1.61 -1.38 114.38 120.37 3i3d h ARG 442 Ca 0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3i3d h ARG 442 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3i3d h ARG 442 CO -0.04 0.38 -0.04 1.98 -1.07 0.00 0.00 179.97 181.18 3i3d h MET 443 N 0.00 -0.11 -0.59 0.04 4.05 -1.59 -2.37 114.93 114.37 3i3d h MET 443 Ca -0.00 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 3i3d h MET 443 Cb 0.83 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.61 3i3d h MET 443 CO 0.05 0.24 0.32 0.28 0.23 0.00 0.00 176.91 178.04 3i3d h VAL 444 N -0.48 0.99 0.00 -5.77 2.07 -1.24 -1.02 116.25 110.81 3i3d h VAL 444 Ca -0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3i3d h VAL 444 Cb 0.40 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3i3d h VAL 444 CO 0.02 0.11 -0.08 1.56 0.02 0.00 0.00 177.57 179.20 3i3d h GLN 445 N 0.62 0.00 0.08 1.57 4.20 -1.22 -1.18 115.11 119.18 3i3d h GLN 445 Ca 0.25 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.74 3i3d h GLN 445 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3i3d h GLN 445 CO -0.15 0.08 -1.15 -0.09 -0.67 0.00 0.00 178.83 176.85 3i3d h ARG 446 N 0.00 0.17 -0.11 1.46 2.43 -0.76 -3.01 114.38 114.56 3i3d h ARG 446 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3i3d h ARG 446 Cb 0.18 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3i3d h ARG 446 CO 0.01 1.14 0.00 -0.25 -1.51 0.00 0.00 179.97 179.36 3i3d n ASP 447 N -4.12 2.85 0.22 -3.80 8.00 -0.48 -4.24 116.55 114.98 3i3d n ASP 447 Ca -0.23 -1.88 0.13 0.00 0.71 0.00 0.00 54.79 53.52 3i3d n ASP 447 Cb 0.80 -0.06 0.70 0.00 -0.02 0.00 0.00 41.12 42.54 3i3d n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3i3d h ARG 448 N 3.99 0.00 -0.01 -1.24 0.11 -1.43 -2.02 114.38 113.77 3i3d h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i3d h ARG 448 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 3i3d h ARG 448 CO 0.00 0.00 -0.29 0.09 0.10 0.00 0.00 179.97 179.87 3i3d n ASN 449 N -2.45 1.57 -4.67 0.08 3.02 -1.26 -4.87 115.26 106.68 3i3d n ASN 449 Ca -0.02 -1.25 -0.42 0.00 -0.03 0.00 0.00 54.58 52.86 3i3d n ASN 449 Cb 0.13 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 3i3d n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i3d s HIS 450 N -2.40 3.41 0.32 3.10 3.76 -0.76 -4.84 115.29 117.88 3i3d s HIS 450 Ca 0.24 1.37 0.16 0.00 -0.15 0.00 0.00 55.06 56.68 3i3d s HIS 450 Cb 0.19 -3.12 0.78 0.00 1.11 0.00 0.00 32.58 31.54 3i3d s HIS 450 CO 0.50 -0.31 1.82 -1.00 -0.85 0.00 0.00 174.74 174.90 3i3d h PRO 451 N 7.34 0.00 -0.41 8.40 0.13 -1.88 -2.94 132.00 142.65 3i3d h PRO 451 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i3d h PRO 451 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3i3d h PRO 451 CO 0.88 0.36 0.26 0.66 -0.23 0.00 0.00 178.00 179.93 3i3d h SER 452 N 0.00 0.47 -3.04 1.44 4.64 -1.87 -3.39 113.55 111.80 3i3d h SER 452 Ca -0.00 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.74 3i3d h SER 452 Cb 0.71 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 3i3d h SER 452 CO 0.05 0.35 1.01 -0.69 -0.87 0.00 0.00 176.83 176.67 3i3d s VAL 453 N -5.48 4.04 -0.18 0.95 1.01 -1.11 0.37 120.40 120.00 3i3d s VAL 453 Ca -0.08 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3i3d s VAL 453 Cb 0.17 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3i3d s VAL 453 CO 0.73 -0.42 0.17 2.30 0.00 0.00 0.00 175.10 177.89 3i3d n ILE 454 N 6.22 0.00 -3.80 2.22 -5.35 -0.39 -4.90 119.36 113.36 3i3d n ILE 454 Ca 0.16 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3i3d n ILE 454 Cb 0.46 0.90 -0.13 0.00 -1.74 0.00 0.00 39.64 39.14 3i3d n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i3d s ILE 455 N -1.57 -0.01 -0.06 7.28 1.01 -1.18 -3.94 121.20 122.73 3i3d s ILE 455 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 3i3d s ILE 455 Cb 0.03 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3i3d s ILE 455 CO 0.18 0.01 0.16 0.26 0.00 0.00 0.00 174.94 175.56 3i3d s TRP 456 N 0.26 3.57 -0.05 3.97 0.52 -0.57 -1.85 118.94 124.79 3i3d s TRP 456 Ca -0.01 0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.59 3i3d s TRP 456 Cb -0.03 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 3i3d s TRP 456 CO -0.01 0.69 -0.19 0.45 0.02 0.00 0.00 176.95 177.91 3i3d s SER 457 N -1.55 2.37 0.00 2.95 0.15 -0.12 -0.94 113.70 116.57 3i3d s SER 457 Ca 0.22 -0.39 0.26 0.00 0.70 0.00 0.00 55.95 56.74 3i3d s SER 457 Cb -0.12 -0.64 1.52 0.00 -1.71 0.00 0.00 66.02 65.07 3i3d s SER 457 CO 0.12 0.18 1.91 0.18 1.20 0.00 0.00 173.24 176.83 3i3d n LEU 458 N 3.08 0.00 0.00 3.45 4.77 -1.06 -1.48 117.00 125.76 3i3d n LEU 458 Ca -0.18 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3i3d n LEU 458 Cb 0.53 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3i3d n LEU 458 CO 0.25 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3i3d n GLY 459 N 0.69 0.57 3.33 -0.72 0.00 -1.26 -4.60 105.19 103.20 3i3d n GLY 459 Ca 0.18 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 3i3d n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 460 N -4.00 -0.41 -0.64 1.61 2.47 -0.08 -4.75 114.94 109.14 3i3d s ASN 460 Ca 0.00 0.62 -0.02 0.00 0.42 0.00 0.00 52.86 53.88 3i3d s ASN 460 Cb 0.00 0.68 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 3i3d s ASN 460 CO 0.00 -0.31 0.45 -0.62 -3.72 0.00 0.00 177.10 172.91 3i3d n GLU 461 N 2.10 -1.09 -1.37 0.43 1.02 -1.26 -3.97 120.64 116.51 3i3d n GLU 461 Ca -0.17 0.49 0.04 0.00 -0.02 0.00 0.00 57.16 57.51 3i3d n GLU 461 Cb 0.57 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 3i3d n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i3d n SER 462 N -1.80 1.06 0.00 1.62 7.64 -1.26 -1.48 113.62 119.40 3i3d n SER 462 Ca -0.23 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.42 3i3d n SER 462 Cb 0.51 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3i3d n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3d n GLY 463 N 0.29 0.96 2.93 0.23 0.00 -1.25 -3.93 105.19 104.43 3i3d n GLY 463 Ca 0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3i3d n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3d s HIS 464 N 0.00 1.87 0.28 1.61 2.46 -1.26 -3.64 115.29 116.62 3i3d s HIS 464 Ca 0.00 -1.14 0.07 0.00 0.47 0.00 0.00 55.06 54.47 3i3d s HIS 464 Cb 0.00 -1.41 -0.06 0.00 -0.13 0.00 0.00 32.58 30.99 3i3d s HIS 464 CO 0.00 -0.63 -0.08 0.20 -2.47 0.00 0.00 174.74 171.76 3i3d s GLY 465 N 1.58 1.86 0.54 1.59 0.00 -1.26 -4.83 107.32 106.79 3i3d s GLY 465 Ca 0.02 -1.91 0.22 0.00 0.00 0.00 0.00 44.72 43.05 3i3d s GLY 465 CO -0.08 -1.87 2.09 0.00 0.00 0.00 0.00 173.10 173.23 3i3d h ALA 466 N 2.26 2.14 -0.38 3.20 0.00 -1.82 0.75 119.26 125.41 3i3d h ALA 466 Ca -0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3i3d h ALA 466 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3i3d h ALA 466 CO 0.67 -0.30 0.14 -0.91 0.00 0.00 0.00 179.25 178.85 3i3d h ASN 467 N 0.00 0.48 -0.49 0.00 2.35 -1.72 -1.92 115.58 114.28 3i3d h ASN 467 Ca 0.11 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3i3d h ASN 467 Cb 0.46 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3i3d h ASN 467 CO -0.00 0.45 0.06 0.45 -1.65 0.00 0.00 177.43 176.74 3i3d h HIS 468 N 0.53 0.88 -0.74 1.19 3.86 -1.02 -1.56 115.15 118.29 3i3d h HIS 468 Ca 0.13 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3i3d h HIS 468 Cb 0.13 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 3i3d h HIS 468 CO 0.01 0.81 0.40 -0.44 0.86 0.00 0.00 177.93 179.56 3i3d h ASP 469 N 0.69 0.94 -0.34 2.45 3.32 -1.34 0.10 116.42 122.25 3i3d h ASP 469 Ca 0.15 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3i3d h ASP 469 Cb 0.42 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3i3d h ASP 469 CO 0.01 0.77 0.08 0.00 -1.72 0.00 0.00 179.24 178.39 3i3d h ALA 470 N 1.20 0.44 0.00 3.45 0.00 -1.23 -1.97 119.26 121.15 3i3d h ALA 470 Ca 0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3i3d h ALA 470 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i3d h ALA 470 CO -0.04 0.11 -0.48 -0.07 0.00 0.00 0.00 179.25 178.77 3i3d h LEU 471 N 0.39 0.00 -0.14 0.00 3.38 -1.09 -1.52 115.31 116.33 3i3d h LEU 471 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3i3d h LEU 471 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i3d h LEU 471 CO 0.00 0.48 0.02 0.22 0.09 0.00 0.00 178.44 179.25 3i3d h TYR 472 N 0.00 0.25 -0.42 1.13 3.20 -0.63 -2.55 116.97 117.96 3i3d h TYR 472 Ca -0.00 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 3i3d h TYR 472 Cb 1.05 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3i3d h TYR 472 CO 0.00 0.42 -0.05 -0.09 -1.64 0.00 0.00 178.16 176.80 3i3d h ARG 473 N 0.01 0.70 -0.34 1.82 9.65 -1.20 -2.38 114.38 122.65 3i3d h ARG 473 Ca 0.04 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.75 3i3d h ARG 473 Cb 0.30 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 3i3d h ARG 473 CO 0.00 0.75 0.15 2.35 2.80 0.00 0.00 179.97 186.03 3i3d h TRP 474 N 0.65 0.28 -0.31 2.20 7.01 -1.12 -1.12 115.95 123.53 3i3d h TRP 474 Ca 0.12 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3i3d h TRP 474 Cb 0.48 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 3i3d h TRP 474 CO 0.02 0.14 0.04 0.82 -2.79 0.00 0.00 178.44 176.68 3i3d h ILE 475 N 0.32 1.24 -0.67 2.65 2.04 -1.27 -1.22 117.51 120.60 3i3d h ILE 475 Ca 0.15 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.27 3i3d h ILE 475 Cb 0.08 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3i3d h ILE 475 CO -0.12 0.27 0.44 0.11 0.00 0.00 0.00 178.15 178.85 3i3d h LYS 476 N 0.35 0.51 -0.04 2.37 1.79 -1.20 0.25 116.57 120.61 3i3d h LYS 476 Ca 0.09 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 3i3d h LYS 476 Cb 0.36 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3i3d h LYS 476 CO 0.01 0.34 -0.21 1.03 -1.08 0.00 0.00 179.45 179.53 3i3d h SER 477 N 0.53 0.25 0.91 0.86 0.87 -0.83 -3.28 113.55 112.86 3i3d h SER 477 Ca 0.31 -0.68 -0.22 0.00 -1.23 0.00 0.00 61.79 59.97 3i3d h SER 477 Cb 0.50 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 3i3d h SER 477 CO -0.10 0.88 -1.13 -0.37 -0.53 0.00 0.00 176.83 175.59 3i3d h VAL 478 N -0.37 1.51 -2.58 2.23 -1.51 -0.81 -3.42 116.25 111.31 3i3d h VAL 478 Ca -0.02 -3.24 -0.60 0.00 -1.23 0.00 0.00 66.70 61.62 3i3d h VAL 478 Cb 0.88 2.74 -0.39 0.00 -2.13 0.00 0.00 31.29 32.40 3i3d h VAL 478 CO 0.04 0.86 -0.87 -0.62 -1.23 0.00 0.00 177.57 175.76 3i3d s ASP 479 N -6.57 2.43 0.00 4.19 2.15 0.85 -4.96 116.67 114.76 3i3d s ASP 479 Ca -0.00 -3.02 0.22 0.00 0.43 0.00 0.00 52.55 50.18 3i3d s ASP 479 Cb 0.10 -0.68 1.24 0.00 -0.30 0.00 0.00 42.92 43.27 3i3d s ASP 479 CO 0.82 -0.19 1.68 -0.81 -0.17 0.00 0.00 175.17 176.50 3i3d n PRO 480 N 2.95 0.57 0.00 4.34 -0.04 -1.23 -3.32 135.00 138.27 3i3d n PRO 480 Ca 0.23 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 3i3d n PRO 480 Cb 0.43 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.00 3i3d n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i3d n SER 481 N -1.08 0.31 -3.92 3.54 3.41 -1.26 -4.83 113.62 109.78 3i3d n SER 481 Ca 0.15 -0.31 -0.18 0.00 -0.26 0.00 0.00 58.87 58.26 3i3d n SER 481 Cb 0.10 -0.15 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 3i3d n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3d s ARG 482 N -2.61 0.65 0.73 4.33 0.52 -1.21 -4.22 118.95 117.14 3i3d s ARG 482 Ca 0.25 -0.14 -0.14 0.00 -0.52 0.00 0.00 55.73 55.18 3i3d s ARG 482 Cb 0.20 -0.66 0.04 0.00 0.52 0.00 0.00 34.95 35.04 3i3d s ARG 482 CO 0.50 0.01 1.14 -2.14 0.02 0.00 0.00 175.30 174.83 3i3d s PRO 483 N 0.46 2.33 -0.09 3.54 0.02 -1.25 -4.77 135.00 135.22 3i3d s PRO 483 Ca -0.06 1.46 0.04 0.00 0.02 0.00 0.00 61.00 62.46 3i3d s PRO 483 Cb -0.09 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3i3d s PRO 483 CO -0.00 -1.63 -0.21 0.08 -0.33 0.00 0.00 177.00 174.91 3i3d s VAL 484 N -2.39 2.32 0.16 3.83 1.01 -1.26 -1.52 120.40 122.56 3i3d s VAL 484 Ca 0.68 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3i3d s VAL 484 Cb -0.22 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3i3d s VAL 484 CO 0.47 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 175.99 3i3d s GLN 485 N 0.18 1.16 -0.28 2.72 -2.07 -0.12 0.01 119.66 121.27 3i3d s GLN 485 Ca -0.12 -1.44 -0.16 0.00 -1.82 0.00 0.00 55.36 51.82 3i3d s GLN 485 Cb -0.16 -0.94 0.11 0.00 -1.09 0.00 0.00 33.01 30.93 3i3d s GLN 485 CO 0.07 0.16 0.82 -0.47 -1.32 0.00 0.00 175.29 174.54 3i3d s TYR 486 N -2.77 -0.85 -0.08 9.60 5.04 -1.26 -2.55 117.35 124.49 3i3d s TYR 486 Ca 0.17 1.69 0.14 0.00 -2.44 0.00 0.00 57.07 56.62 3i3d s TYR 486 Cb -0.01 0.51 -0.14 0.00 0.35 0.00 0.00 41.96 42.66 3i3d s TYR 486 CO 0.04 -0.42 0.93 1.49 -1.34 0.00 0.00 175.55 176.25 3i3d h GLU 487 N 6.62 0.00 -6.82 4.97 4.22 -1.86 -3.43 114.58 118.29 3i3d h GLU 487 Ca -0.29 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.59 3i3d h GLU 487 Cb 1.21 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.60 3i3d h GLU 487 CO 0.17 0.46 0.30 0.41 -2.18 0.00 0.00 179.01 178.17 3i3d n GLY 488 N 1.41 0.08 2.00 1.92 0.00 -1.26 -0.22 105.19 109.13 3i3d n GLY 488 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i3d n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 489 N 1.06 0.39 0.00 -0.02 0.00 -1.24 -4.14 105.19 101.24 3i3d n GLY 489 Ca 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3i3d n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 490 N -3.00 1.05 4.15 -0.02 0.00 -1.22 -4.73 105.19 101.42 3i3d n GLY 490 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i3d n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3d n ALA 491 N -0.14 0.00 -2.45 4.61 0.00 0.70 -4.69 120.51 118.53 3i3d n ALA 491 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3i3d n ALA 491 Cb 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 19.45 19.05 3i3d n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3d n ASP 492 N 0.00 1.41 -3.39 0.00 5.68 -1.26 -2.34 116.55 116.64 3i3d n ASP 492 Ca 0.00 -2.31 -0.24 0.00 -0.50 0.00 0.00 54.79 51.74 3i3d n ASP 492 Cb 0.00 -0.37 0.19 0.00 -1.14 0.00 0.00 41.12 39.80 3i3d n ASP 492 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i3d n THR 493 N -0.01 0.00 1.57 2.12 -2.24 -1.26 -4.92 114.28 109.54 3i3d n THR 493 Ca 0.10 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3i3d n THR 493 Cb 1.00 -1.30 0.76 0.00 -2.10 0.00 0.00 70.33 68.69 3i3d n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i3d n THR 494 N -4.14 0.04 -0.73 4.28 -2.24 -1.26 -3.00 114.28 107.23 3i3d n THR 494 Ca 0.12 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 3i3d n THR 494 Cb 0.47 -0.59 0.36 0.00 -2.10 0.00 0.00 70.33 68.47 3i3d n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d n ALA 495 N -1.05 3.30 -3.51 6.98 0.00 -1.26 -4.94 120.51 120.03 3i3d n ALA 495 Ca 0.18 -1.75 -0.13 0.00 0.00 0.00 0.00 53.44 51.74 3i3d n ALA 495 Cb 0.11 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 3i3d n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i3d s THR 496 N -2.18 -0.03 -0.91 0.00 -1.32 -1.16 -4.13 115.64 105.91 3i3d s THR 496 Ca 0.51 0.12 0.27 0.00 -1.21 0.00 0.00 61.69 61.37 3i3d s THR 496 Cb 0.35 -0.24 0.14 0.00 -1.51 0.00 0.00 72.50 71.24 3i3d s THR 496 CO 0.21 0.05 1.64 0.47 -2.21 0.00 0.00 174.62 174.78 3i3d n ASP 497 N 3.83 0.39 -4.02 8.08 8.00 0.10 -4.81 116.55 128.12 3i3d n ASP 497 Ca -0.22 0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.26 3i3d n ASP 497 Cb 0.54 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 41.29 3i3d n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3d s ILE 498 N -3.04 0.97 -0.33 0.53 1.01 -1.26 -4.50 121.20 114.58 3i3d s ILE 498 Ca 0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 3i3d s ILE 498 Cb 0.17 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.77 3i3d s ILE 498 CO 0.63 0.30 1.43 -0.63 0.00 0.00 0.00 174.94 176.67 3i3d s ILE 499 N 0.34 3.93 -0.51 2.92 1.01 -0.12 -4.68 121.20 124.09 3i3d s ILE 499 Ca -0.07 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.67 3i3d s ILE 499 Cb -0.11 -4.06 0.33 0.00 0.01 0.00 0.00 42.46 38.63 3i3d s ILE 499 CO 0.02 -0.54 0.82 0.00 0.00 0.00 0.00 174.94 175.24 3i3d s PRO 501 N -2.84 1.86 -0.19 0.00 0.04 -1.26 -3.76 135.00 128.85 3i3d s PRO 501 Ca 0.44 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 3i3d s PRO 501 Cb 0.28 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.98 3i3d s PRO 501 CO -0.10 -1.97 -0.13 0.00 0.04 0.00 0.00 177.00 174.84 3i3d s MET 502 N -4.70 3.18 -1.01 4.56 0.23 -1.26 -2.10 119.30 118.20 3i3d s MET 502 Ca 0.64 -0.73 0.00 0.00 -1.03 0.00 0.00 55.69 54.57 3i3d s MET 502 Cb -0.20 -2.76 0.00 0.00 -1.53 0.00 0.00 34.83 30.34 3i3d s MET 502 CO 0.55 -0.17 0.00 0.66 -2.03 0.00 0.00 175.02 174.02 3i3d n TYR 503 N 4.62 -0.18 -2.35 3.16 4.02 0.98 -4.97 117.16 122.44 3i3d n TYR 503 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.29 3i3d n TYR 503 Cb 0.51 -2.14 -0.03 0.00 -0.02 0.00 0.00 39.34 37.65 3i3d n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i3d s ALA 504 N -2.43 3.44 0.69 -0.72 0.00 -1.26 -4.89 121.76 116.60 3i3d s ALA 504 Ca 0.00 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 3i3d s ALA 504 Cb 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3i3d s ALA 504 CO 0.00 -0.35 1.00 1.03 0.00 0.00 0.00 175.76 177.44 3i3d s ARG 505 N -1.19 2.30 -0.04 0.00 0.52 -1.26 -4.79 118.95 114.49 3i3d s ARG 505 Ca 0.48 -0.22 -0.23 0.00 -0.52 0.00 0.00 55.73 55.24 3i3d s ARG 505 Cb -0.34 -2.18 -0.17 0.00 0.52 0.00 0.00 34.95 32.77 3i3d s ARG 505 CO 0.43 -1.16 1.00 0.28 0.02 0.00 0.00 175.30 175.87 3i3d h VAL 506 N -0.54 0.96 0.00 3.52 2.07 -1.94 -0.28 116.25 120.04 3i3d h VAL 506 Ca -0.44 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 65.86 3i3d h VAL 506 Cb 1.31 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3i3d h VAL 506 CO 0.60 0.23 -1.54 0.47 0.02 0.00 0.00 177.57 177.35 3i3d n ASP 507 N -4.93 2.96 -4.68 0.57 8.00 -1.26 -3.38 116.55 113.83 3i3d n ASP 507 Ca -0.08 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 3i3d n ASP 507 Cb 0.27 0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 42.13 3i3d n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i3d s GLU 508 N -2.26 4.31 0.40 -1.24 2.12 -1.26 -4.70 118.70 116.07 3i3d s GLU 508 Ca -0.04 0.92 -0.20 0.00 0.36 0.00 0.00 54.97 56.01 3i3d s GLU 508 Cb 0.03 -3.55 -0.11 0.00 0.26 0.00 0.00 34.13 30.76 3i3d s GLU 508 CO 0.34 -0.24 0.91 -0.51 -0.54 0.00 0.00 175.26 175.22 3i3d s ASP 509 N 1.11 6.93 -0.50 -1.70 1.01 -1.26 -3.81 116.67 118.45 3i3d s ASP 509 Ca 0.37 1.62 0.04 0.00 0.71 0.00 0.00 52.55 55.28 3i3d s ASP 509 Cb -0.17 -2.51 0.16 0.00 1.01 0.00 0.00 42.92 41.42 3i3d s ASP 509 CO 0.13 -0.32 0.36 -1.10 0.21 0.00 0.00 175.17 174.46 3i3d s GLN 510 N -3.09 1.41 -0.47 8.23 -0.21 0.17 -4.92 119.66 120.79 3i3d s GLN 510 Ca 0.60 -2.42 -0.03 0.00 0.02 0.00 0.00 55.36 53.53 3i3d s GLN 510 Cb -0.10 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3i3d s GLN 510 CO 0.14 -1.31 1.66 -0.35 -2.12 0.00 0.00 175.29 173.31 3i3d n PRO 511 N 2.76 1.17 -2.04 2.91 -0.04 -1.26 -0.88 135.00 137.61 3i3d n PRO 511 Ca 0.23 -0.96 -0.38 0.00 -0.04 0.00 0.00 63.50 62.34 3i3d n PRO 511 Cb 0.41 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.71 3i3d n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3d s PHE 512 N 3.75 2.66 0.32 0.54 0.40 -1.26 -4.87 117.98 119.51 3i3d s PHE 512 Ca 0.24 1.45 -0.29 0.00 -0.60 0.00 0.00 56.93 57.72 3i3d s PHE 512 Cb 0.07 -3.60 -0.11 0.00 0.51 0.00 0.00 43.02 39.90 3i3d s PHE 512 CO -0.02 -2.13 1.45 -2.14 0.70 0.00 0.00 175.22 173.08 3i3d s PRO 513 N -2.65 4.21 0.00 0.24 0.02 -1.26 -2.16 135.00 133.41 3i3d s PRO 513 Ca 0.65 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.08 3i3d s PRO 513 Cb -0.35 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3i3d s PRO 513 CO 0.43 -0.44 0.00 0.00 -0.33 0.00 0.00 177.00 176.66 3i3d n ALA 514 N 1.36 0.00 -2.94 -1.55 0.00 -1.26 -4.50 120.51 111.62 3i3d n ALA 514 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 3i3d n ALA 514 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 3i3d n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i3d n VAL 515 N 0.00 2.11 -1.59 0.00 0.24 -1.23 -4.79 118.33 113.07 3i3d n VAL 515 Ca 0.00 -5.17 -0.34 0.00 -2.04 0.00 0.00 64.34 56.79 3i3d n VAL 515 Cb 0.00 -1.01 0.08 0.00 -1.47 0.00 0.00 33.84 31.43 3i3d n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i3d s PRO 516 N -3.21 2.39 -0.50 7.34 0.04 -0.92 -4.58 135.00 135.58 3i3d s PRO 516 Ca 0.46 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 3i3d s PRO 516 Cb 0.32 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 33.12 3i3d s PRO 516 CO -0.12 -1.63 0.27 0.15 0.04 0.00 0.00 177.00 175.71 3i3d s LYS 517 N -3.84 2.10 0.58 4.56 1.02 -0.06 -4.86 119.74 119.23 3i3d s LYS 517 Ca 0.74 -2.27 -0.15 0.00 0.02 0.00 0.00 55.97 54.30 3i3d s LYS 517 Cb -0.28 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 3i3d s LYS 517 CO 0.43 -1.09 1.04 -1.58 -0.92 0.00 0.00 175.35 173.22 3i3d s TRP 518 N 0.34 3.15 0.30 3.18 0.52 -1.26 -0.65 118.94 124.52 3i3d s TRP 518 Ca 0.14 1.49 -0.29 0.00 0.02 0.00 0.00 56.10 57.46 3i3d s TRP 518 Cb -0.22 -2.93 -0.13 0.00 -1.15 0.00 0.00 33.47 29.04 3i3d s TRP 518 CO -0.04 -0.89 1.22 0.45 0.02 0.00 0.00 176.95 177.71 3i3d n SER 519 N -1.99 2.27 0.11 2.95 2.88 -1.25 -4.39 113.62 114.19 3i3d n SER 519 Ca 0.08 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.85 3i3d n SER 519 Cb 0.53 -1.41 0.46 0.00 -0.75 0.00 0.00 64.21 63.04 3i3d n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3i3d h ILE 520 N 2.46 1.11 -0.54 2.46 3.07 -1.05 -0.06 117.51 124.96 3i3d h ILE 520 Ca -0.44 -0.38 -0.08 0.00 1.55 0.00 0.00 64.86 65.51 3i3d h ILE 520 Cb 1.30 0.90 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 3i3d h ILE 520 CO 0.64 0.14 0.04 0.11 -1.05 0.00 0.00 178.15 178.03 3i3d h LYS 521 N 0.30 0.93 -0.18 0.16 1.57 -1.83 -3.04 116.57 114.48 3i3d h LYS 521 Ca 0.07 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.40 3i3d h LYS 521 Cb 0.13 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3i3d h LYS 521 CO -0.00 0.92 -0.61 -0.22 -0.57 0.00 0.00 179.45 178.97 3i3d h LYS 522 N 0.81 0.61 -0.66 3.15 3.64 -1.68 -3.30 116.57 119.15 3i3d h LYS 522 Ca 0.16 -0.42 0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3i3d h LYS 522 Cb 0.48 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 3i3d h LYS 522 CO 0.02 1.04 0.30 2.35 -2.27 0.00 0.00 179.45 180.90 3i3d h TRP 523 N 0.46 0.54 -0.97 1.91 2.91 -0.92 -2.51 115.95 117.37 3i3d h TRP 523 Ca -0.01 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.14 3i3d h TRP 523 Cb 1.19 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 29.62 3i3d h TRP 523 CO 0.06 0.19 0.62 -0.07 -1.03 0.00 0.00 178.44 178.20 3i3d h LEU 524 N 0.53 0.91 -2.19 0.65 3.38 -1.62 -2.87 115.31 114.11 3i3d h LEU 524 Ca 0.33 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3i3d h LEU 524 Cb 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i3d h LEU 524 CO -0.27 0.53 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3i3d n SER 525 N -4.56 3.19 -4.66 -0.43 3.41 -0.96 -4.53 113.62 105.10 3i3d n SER 525 Ca 0.17 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.38 3i3d n SER 525 Cb 0.30 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 3i3d n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i3d n LEU 526 N 1.25 3.46 -4.72 1.04 4.77 -1.09 -4.75 117.00 116.98 3i3d n LEU 526 Ca 0.20 1.05 -0.62 0.00 -0.03 0.00 0.00 56.01 56.61 3i3d n LEU 526 Cb 0.51 -1.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.08 3i3d n LEU 526 CO 0.14 -1.08 1.26 -2.65 -1.33 0.00 0.00 177.39 173.73 3i3d n PRO 527 N -0.03 0.60 -0.05 3.23 -0.02 -1.26 -0.66 135.00 136.80 3i3d n PRO 527 Ca 0.08 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3i3d n PRO 527 Cb 0.40 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3i3d n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i3d n GLY 528 N 4.21 2.03 3.73 -1.23 0.00 -1.26 -5.03 105.19 107.63 3i3d n GLY 528 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3i3d n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3d s GLU 529 N -0.29 4.67 0.00 1.61 2.56 0.16 -4.91 118.70 122.50 3i3d s GLU 529 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 54.97 56.43 3i3d s GLU 529 Cb 0.00 -3.38 0.00 0.00 2.00 0.00 0.00 34.13 32.75 3i3d s GLU 529 CO 0.00 0.17 0.02 0.25 -0.56 0.00 0.00 175.26 175.14 3i3d n THR 530 N 2.91 0.00 -1.64 -1.70 -2.24 -1.26 -4.77 114.28 105.57 3i3d n THR 530 Ca 0.03 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 3i3d n THR 530 Cb 0.49 1.25 0.04 0.00 -2.10 0.00 0.00 70.33 70.02 3i3d n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i3d s ARG 531 N -0.09 3.08 0.57 -0.78 0.52 -1.26 -3.94 118.95 117.04 3i3d s ARG 531 Ca 0.00 0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 55.98 3i3d s ARG 531 Cb 0.00 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 3i3d s ARG 531 CO 0.00 -0.98 1.02 -1.25 0.02 0.00 0.00 175.30 174.11 3i3d s PRO 532 N -5.04 3.61 -0.14 3.54 0.04 -1.15 -4.80 135.00 131.06 3i3d s PRO 532 Ca 0.58 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.66 3i3d s PRO 532 Cb -0.13 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.33 3i3d s PRO 532 CO 0.54 -0.56 -0.21 -1.17 0.04 0.00 0.00 177.00 175.64 3i3d s LEU 533 N -4.45 2.15 -0.10 -3.56 0.20 -0.19 -0.94 118.68 111.79 3i3d s LEU 533 Ca 0.60 -0.59 -0.02 0.00 0.69 0.00 0.00 54.13 54.80 3i3d s LEU 533 Cb -0.12 -1.46 0.04 0.00 -0.43 0.00 0.00 46.19 44.22 3i3d s LEU 533 CO 0.37 0.07 0.04 -0.63 -0.29 0.00 0.00 176.35 175.92 3i3d s ILE 534 N 0.85 0.19 0.04 6.68 1.01 -0.03 -1.66 121.20 128.28 3i3d s ILE 534 Ca -0.06 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 3i3d s ILE 534 Cb -0.15 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 3i3d s ILE 534 CO -0.03 0.06 1.56 -0.76 0.00 0.00 0.00 174.94 175.77 3i3d s LEU 535 N 2.04 4.35 0.45 2.97 1.43 -0.69 -4.02 118.68 125.21 3i3d s LEU 535 Ca 0.03 2.35 0.25 0.00 -1.03 0.00 0.00 54.13 55.74 3i3d s LEU 535 Cb -0.14 -3.56 0.74 0.00 0.03 0.00 0.00 46.19 43.26 3i3d s LEU 535 CO -0.06 -0.83 1.75 0.00 0.23 0.00 0.00 176.35 177.44 3i3d s GLU 537 N -3.41 0.47 0.04 0.00 2.02 -1.24 -4.31 118.70 112.28 3i3d s GLU 537 Ca 0.03 0.76 -0.27 0.00 0.02 0.00 0.00 54.97 55.51 3i3d s GLU 537 Cb 0.08 0.11 0.09 0.00 0.10 0.00 0.00 34.13 34.50 3i3d s GLU 537 CO 0.64 -0.12 0.86 1.52 0.02 0.00 0.00 175.26 178.18 3i3d s TYR 538 N 0.94 -0.33 -0.98 1.61 -0.85 -1.06 -0.01 117.35 116.66 3i3d s TYR 538 Ca -0.06 0.16 -0.08 0.00 -0.52 0.00 0.00 57.07 56.57 3i3d s TYR 538 Cb -0.06 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 3i3d s TYR 538 CO -0.08 -0.63 0.81 0.00 -1.52 0.00 0.00 175.55 174.13 3i3d n ALA 539 N -0.30 -2.53 -1.60 9.51 0.00 -1.26 -1.90 120.51 122.43 3i3d n ALA 539 Ca -0.09 -0.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 3i3d n ALA 539 Cb 0.62 -4.00 -0.04 0.00 0.00 0.00 0.00 19.45 16.03 3i3d n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i3d n HIS 540 N -3.09 2.07 -1.43 0.00 -0.00 -0.71 -3.86 115.22 108.20 3i3d n HIS 540 Ca -0.07 -0.13 -0.27 0.00 0.46 0.00 0.00 57.72 57.70 3i3d n HIS 540 Cb 0.59 -2.72 -0.02 0.00 -0.12 0.00 0.00 29.99 27.71 3i3d n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i3d n ALA 541 N 10.27 6.23 -2.61 1.57 0.00 0.25 -4.36 120.51 131.87 3i3d n ALA 541 Ca 0.29 -2.97 -0.43 0.00 0.00 0.00 0.00 53.44 50.33 3i3d n ALA 541 Cb 0.41 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 3i3d n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3d s ALA 542 N -2.13 3.48 0.00 0.00 0.00 -1.26 -3.78 121.76 118.06 3i3d s ALA 542 Ca 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3i3d s ALA 542 Cb 0.37 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3i3d s ALA 542 CO -0.20 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.44 3i3d n GLY 543 N 3.95 2.99 3.56 0.00 0.00 -1.26 -4.06 105.19 110.36 3i3d n GLY 543 Ca 0.12 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3i3d n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 544 N -4.00 5.89 0.00 1.61 3.84 -1.26 -4.86 114.94 116.15 3i3d s ASN 544 Ca 0.00 -0.85 0.00 0.00 0.21 0.00 0.00 52.86 52.22 3i3d s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3i3d s ASN 544 CO 0.00 -2.04 0.00 -0.24 -2.79 0.00 0.00 177.10 172.03 3i3d n SER 545 N 10.98 0.03 -0.11 -4.21 2.88 -1.26 -4.76 113.62 117.17 3i3d n SER 545 Ca 0.29 -0.05 -0.01 0.00 -1.33 0.00 0.00 58.87 57.76 3i3d n SER 545 Cb 0.50 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 3i3d n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i3d n LEU 546 N 0.00 -0.20 -4.73 2.46 7.94 -1.21 -4.78 117.00 116.49 3i3d n LEU 546 Ca 0.00 0.03 -0.42 0.00 -1.11 0.00 0.00 56.01 54.51 3i3d n LEU 546 Cb 0.00 -0.65 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 3i3d n LEU 546 CO 0.00 -0.06 0.99 -0.83 -1.11 0.00 0.00 177.39 176.37 3i3d s GLY 547 N -2.98 2.35 0.00 -3.96 0.00 0.87 -2.41 107.32 101.20 3i3d s GLY 547 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.79 3i3d s GLY 547 CO 0.00 2.12 0.00 0.61 0.00 0.00 0.00 173.10 175.83 3i3d n GLY 548 N 2.71 0.71 0.34 0.20 0.00 0.87 -4.09 105.19 105.92 3i3d n GLY 548 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 3i3d n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i3d h PHE 549 N 0.00 1.10 0.00 1.61 3.57 -1.65 -2.10 116.94 119.47 3i3d h PHE 549 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3i3d h PHE 549 Cb 0.00 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.37 3i3d h PHE 549 CO 0.00 0.68 -0.06 0.00 -2.23 0.00 0.00 178.31 176.70 3i3d h ALA 550 N 1.33 1.74 -0.33 2.41 0.00 -1.86 -1.74 119.26 120.81 3i3d h ALA 550 Ca 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3i3d h ALA 550 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i3d h ALA 550 CO -0.08 0.08 -0.08 -0.22 0.00 0.00 0.00 179.25 178.95 3i3d h LYS 551 N 0.00 0.55 -0.20 0.00 3.64 -1.77 -1.08 116.57 117.71 3i3d h LYS 551 Ca -0.00 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3i3d h LYS 551 Cb 0.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3i3d h LYS 551 CO 0.01 0.63 -0.01 1.88 -2.27 0.00 0.00 179.45 179.68 3i3d h TYR 552 N 0.51 0.39 -0.01 1.91 -1.99 -1.36 -2.76 116.97 113.67 3i3d h TYR 552 Ca 0.10 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 3i3d h TYR 552 Cb 0.45 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 3i3d h TYR 552 CO 0.02 0.57 -0.43 -1.49 -0.00 0.00 0.00 178.16 176.83 3i3d h TRP 553 N 0.10 0.02 -0.60 4.88 4.06 -1.38 0.95 115.95 123.98 3i3d h TRP 553 Ca 0.05 -0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 3i3d h TRP 553 Cb 0.42 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 3i3d h TRP 553 CO 0.04 0.44 0.03 0.37 -3.56 0.00 0.00 178.44 175.76 3i3d h GLN 554 N 0.01 1.04 -0.24 0.49 -0.00 -1.20 -1.93 115.11 113.29 3i3d h GLN 554 Ca -0.00 -0.32 -0.07 0.00 -0.00 0.00 0.00 58.65 58.26 3i3d h GLN 554 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 3i3d h GLN 554 CO 0.06 1.01 -0.11 0.00 0.00 0.00 0.00 178.83 179.78 3i3d h ALA 555 N 0.99 0.33 -0.83 3.38 0.00 -1.10 -2.36 119.26 119.68 3i3d h ALA 555 Ca 0.17 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3i3d h ALA 555 Cb 0.52 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3i3d h ALA 555 CO 0.03 0.18 0.48 0.74 0.00 0.00 0.00 179.25 180.67 3i3d h PHE 556 N 0.21 0.87 0.00 0.00 0.04 -0.68 -1.61 116.94 115.76 3i3d h PHE 556 Ca 0.05 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 3i3d h PHE 556 Cb 0.61 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3i3d h PHE 556 CO 0.06 0.36 -0.54 0.00 -0.60 0.00 0.00 178.31 177.60 3i3d h ARG 557 N 0.81 0.00 0.11 1.51 3.08 -1.29 -3.29 114.38 115.31 3i3d h ARG 557 Ca 0.39 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.15 3i3d h ARG 557 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3i3d h ARG 557 CO -0.24 0.54 -1.44 0.37 -1.07 0.00 0.00 179.97 178.12 3i3d h GLN 558 N 0.00 0.23 -4.82 0.04 4.15 -0.87 -3.45 115.11 110.40 3i3d h GLN 558 Ca -0.01 -0.38 -0.66 0.00 0.77 0.00 0.00 58.65 58.37 3i3d h GLN 558 Cb 1.06 0.14 -0.18 0.00 0.21 0.00 0.00 27.48 28.72 3i3d h GLN 558 CO 0.07 1.10 -0.49 0.71 -1.93 0.00 0.00 178.83 178.29 3i3d s TYR 559 N -2.63 3.22 0.22 3.99 1.51 -0.66 -4.99 117.35 118.02 3i3d s TYR 559 Ca -0.07 -0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 3i3d s TYR 559 Cb 0.07 -2.44 0.30 0.00 -0.11 0.00 0.00 41.96 39.78 3i3d s TYR 559 CO 0.86 -0.27 1.79 -1.35 -1.11 0.00 0.00 175.55 175.47 3i3d h PRO 560 N 8.43 0.60 0.00 -1.71 0.11 -1.87 -2.13 132.00 135.43 3i3d h PRO 560 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i3d h PRO 560 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i3d h PRO 560 CO 0.60 0.40 0.00 0.54 -0.21 0.00 0.00 178.00 179.33 3i3d n ARG 561 N -4.84 0.38 -3.05 1.05 1.74 -1.26 -4.36 116.66 106.31 3i3d n ARG 561 Ca 0.10 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.77 3i3d n ARG 561 Cb 0.24 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 3i3d n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i3d s LEU 562 N -2.57 5.04 -0.38 0.55 1.43 -0.80 -1.02 118.68 120.93 3i3d s LEU 562 Ca 0.25 -1.19 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 3i3d s LEU 562 Cb 0.18 -2.38 0.64 0.00 0.03 0.00 0.00 46.19 44.66 3i3d s LEU 562 CO 0.41 -1.15 1.77 0.00 0.23 0.00 0.00 176.35 177.61 3i3d n GLN 563 N 6.64 2.46 0.00 1.70 6.02 -0.66 -4.66 117.38 128.88 3i3d n GLN 563 Ca -0.07 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 3i3d n GLN 563 Cb 0.44 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.61 3i3d n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3d n GLY 564 N -0.93 -0.52 0.00 1.08 0.00 -1.26 -0.23 105.19 103.33 3i3d n GLY 564 Ca 0.48 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3i3d n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 565 N 0.00 -0.78 3.23 -0.02 0.00 -0.94 -1.70 105.19 104.98 3i3d n GLY 565 Ca 0.00 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3i3d n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3d s PHE 566 N -2.00 3.05 0.65 1.61 0.40 0.15 -1.46 117.98 120.38 3i3d s PHE 566 Ca 0.00 -1.41 -0.18 0.00 -0.60 0.00 0.00 56.93 54.74 3i3d s PHE 566 Cb 0.00 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 3i3d s PHE 566 CO 0.00 -0.69 1.25 0.28 0.70 0.00 0.00 175.22 176.76 3i3d n VAL 567 N 4.70 4.80 -4.01 -0.44 0.31 -0.29 -2.57 118.33 120.84 3i3d n VAL 567 Ca -0.17 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.34 3i3d n VAL 567 Cb 0.48 -1.45 -0.15 0.00 -0.91 0.00 0.00 33.84 31.82 3i3d n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3i3d s TRP 568 N -1.41 3.53 0.00 3.52 -0.11 -0.80 -0.64 118.94 123.03 3i3d s TRP 568 Ca 0.82 -2.61 0.00 0.00 1.22 0.00 0.00 56.10 55.53 3i3d s TRP 568 Cb -0.38 -2.52 0.00 0.00 -1.50 0.00 0.00 33.47 29.07 3i3d s TRP 568 CO 0.41 -0.91 0.00 -0.40 -4.62 0.00 0.00 176.95 171.43 3i3d n ASP 569 N 4.38 0.00 0.27 5.86 5.75 -0.09 -0.58 116.55 132.14 3i3d n ASP 569 Ca -0.05 -0.48 -0.12 0.00 -0.01 0.00 0.00 54.79 54.14 3i3d n ASP 569 Cb 0.42 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 3i3d n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3i3d h TRP 570 N 0.48 -0.69 -4.25 2.11 2.91 -0.84 -0.98 115.95 114.70 3i3d h TRP 570 Ca 0.00 -0.02 -0.52 0.00 1.13 0.00 0.00 58.89 59.48 3i3d h TRP 570 Cb 0.00 0.23 -0.28 0.00 -0.51 0.00 0.00 29.16 28.59 3i3d h TRP 570 CO 0.00 -0.42 -0.83 0.54 -1.03 0.00 0.00 178.44 176.71 3i3d s VAL 571 N -4.02 1.31 0.32 2.65 0.11 -1.26 -0.78 120.40 118.73 3i3d s VAL 571 Ca -0.11 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 57.87 3i3d s VAL 571 Cb 0.01 -1.11 -0.12 0.00 -1.53 0.00 0.00 36.38 33.64 3i3d s VAL 571 CO 0.34 0.31 1.44 0.47 -3.33 0.00 0.00 175.10 174.34 3i3d n ASP 572 N 2.52 3.33 -3.36 3.54 8.00 -0.76 -4.25 116.55 125.56 3i3d n ASP 572 Ca -0.15 1.19 -0.39 0.00 0.71 0.00 0.00 54.79 56.14 3i3d n ASP 572 Cb 0.54 -1.54 0.01 0.00 -0.02 0.00 0.00 41.12 40.11 3i3d n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3d n GLN 573 N 1.21 4.48 -3.56 -1.24 6.02 -0.12 -4.07 117.38 120.09 3i3d n GLN 573 Ca 0.06 -3.92 -0.30 0.00 -0.01 0.00 0.00 57.00 52.83 3i3d n GLN 573 Cb 0.36 -2.45 -0.04 0.00 1.02 0.00 0.00 30.24 29.14 3i3d n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i3d s SER 574 N -0.67 6.46 0.19 1.08 1.04 -1.26 -4.72 113.70 115.82 3i3d s SER 574 Ca 0.47 0.60 0.11 0.00 0.48 0.00 0.00 55.95 57.61 3i3d s SER 574 Cb 0.25 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 3i3d s SER 574 CO -0.18 -0.05 -0.22 -0.76 0.98 0.00 0.00 173.24 173.01 3i3d s LEU 575 N -3.10 2.50 -0.05 2.42 1.43 0.15 -4.22 118.68 117.81 3i3d s LEU 575 Ca 0.42 -0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 3i3d s LEU 575 Cb -0.11 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3i3d s LEU 575 CO 0.27 0.12 0.51 -0.63 0.23 0.00 0.00 176.35 176.85 3i3d s ILE 576 N -1.70 5.04 0.19 -0.59 1.01 -0.88 0.10 121.20 124.37 3i3d s ILE 576 Ca 0.22 1.06 0.05 0.00 0.00 0.00 0.00 60.65 61.97 3i3d s ILE 576 Cb -0.08 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 3i3d s ILE 576 CO 0.11 0.41 -0.08 -0.54 0.00 0.00 0.00 174.94 174.84 3i3d s LYS 577 N -0.03 1.23 0.05 2.79 1.02 -0.76 -4.94 119.74 119.09 3i3d s LYS 577 Ca 0.28 -1.57 0.08 0.00 0.02 0.00 0.00 55.97 54.78 3i3d s LYS 577 Cb -0.17 -0.77 -0.03 0.00 -0.52 0.00 0.00 37.83 36.35 3i3d s LYS 577 CO 0.14 0.05 -0.23 0.71 -0.92 0.00 0.00 175.35 175.09 3i3d s TYR 578 N -3.25 2.04 0.57 3.18 1.51 -1.26 -0.80 117.35 119.33 3i3d s TYR 578 Ca 0.22 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 3i3d s TYR 578 Cb 0.03 -1.21 0.13 0.00 -0.11 0.00 0.00 41.96 40.79 3i3d s TYR 578 CO 0.05 0.12 0.77 -0.40 -1.11 0.00 0.00 175.55 174.98 3i3d n ASP 579 N 1.75 0.32 0.25 2.29 5.68 -0.22 -4.87 116.55 121.75 3i3d n ASP 579 Ca -0.17 -1.44 0.16 0.00 -0.50 0.00 0.00 54.79 52.84 3i3d n ASP 579 Cb 0.53 -0.56 0.86 0.00 -1.14 0.00 0.00 41.12 40.80 3i3d n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i3d h GLU 580 N 0.00 0.00 -0.54 0.11 4.11 -2.01 -0.60 114.58 115.65 3i3d h GLU 580 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 3i3d h GLU 580 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3i3d h GLU 580 CO 0.20 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.37 3i3d n ASN 581 N -3.86 3.03 -0.01 3.06 3.02 -1.26 -4.92 115.26 114.32 3i3d n ASN 581 Ca -0.01 -1.98 -0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3i3d n ASN 581 Cb 0.21 -0.36 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3i3d n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3d n GLY 582 N 1.41 0.47 3.71 7.41 0.00 -0.23 -5.02 105.19 112.94 3i3d n GLY 582 Ca 0.19 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3i3d n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3d s ASN 583 N -2.30 7.08 0.32 1.61 0.01 -1.26 -4.76 114.94 115.64 3i3d s ASN 583 Ca 0.00 1.31 -0.27 0.00 -0.71 0.00 0.00 52.86 53.19 3i3d s ASN 583 Cb 0.00 -2.45 -0.10 0.00 0.41 0.00 0.00 41.25 39.11 3i3d s ASN 583 CO 0.00 -0.17 0.98 -2.16 -1.51 0.00 0.00 177.10 174.24 3i3d s PRO 584 N 0.93 4.56 0.03 -0.60 0.04 -1.26 -1.06 135.00 137.64 3i3d s PRO 584 Ca 0.41 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 3i3d s PRO 584 Cb -0.18 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 3i3d s PRO 584 CO 0.20 0.23 -0.00 1.67 0.04 0.00 0.00 177.00 179.15 3i3d s TRP 585 N -1.50 0.30 -0.18 0.56 1.48 0.02 -4.96 118.94 114.66 3i3d s TRP 585 Ca 0.49 -0.63 -0.28 0.00 -1.06 0.00 0.00 56.10 54.62 3i3d s TRP 585 Cb -0.22 -0.22 -0.00 0.00 -1.16 0.00 0.00 33.47 31.87 3i3d s TRP 585 CO 0.28 -0.27 0.98 -1.12 -4.06 0.00 0.00 176.95 172.77 3i3d s SER 586 N -1.89 7.11 0.14 -2.66 0.01 -1.26 -1.84 113.70 113.31 3i3d s SER 586 Ca -0.09 1.38 0.07 0.00 1.31 0.00 0.00 55.95 58.62 3i3d s SER 586 Cb -0.04 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 3i3d s SER 586 CO -0.03 -0.55 -0.05 0.00 0.41 0.00 0.00 173.24 173.02 3i3d s ALA 587 N 2.64 3.09 0.00 1.44 0.00 0.28 -4.91 121.76 124.29 3i3d s ALA 587 Ca 0.44 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3i3d s ALA 587 Cb -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.01 3i3d s ALA 587 CO 0.11 0.56 0.00 2.48 0.00 0.00 0.00 175.76 178.91 3i3d n TYR 588 N 0.27 0.00 -1.56 0.00 0.18 -1.26 -0.67 117.16 114.12 3i3d n TYR 588 Ca -0.11 0.00 -0.56 0.00 1.88 0.00 0.00 57.90 59.11 3i3d n TYR 588 Cb 0.54 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.43 3i3d n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i3d n GLY 589 N 1.65 0.11 0.94 -7.48 0.00 -0.00 -1.75 105.19 98.65 3i3d n GLY 589 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3i3d n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 590 N 2.14 3.22 0.00 -0.02 0.00 -1.26 -3.93 105.19 105.35 3i3d n GLY 590 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3i3d n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3d n ASP 591 N 0.00 0.00 -0.79 1.61 8.00 -0.72 -2.68 116.55 121.98 3i3d n ASP 591 Ca 0.00 0.12 0.08 0.00 0.71 0.00 0.00 54.79 55.69 3i3d n ASP 591 Cb 0.00 -0.33 0.22 0.00 -0.02 0.00 0.00 41.12 40.99 3i3d n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i3d n PHE 592 N -1.33 0.77 -0.82 1.24 3.01 -1.26 -4.91 117.46 114.16 3i3d n PHE 592 Ca 0.08 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.77 3i3d n PHE 592 Cb 0.17 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 3i3d n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i3d n GLY 593 N -0.25 1.15 3.70 1.37 0.00 -1.09 -4.83 105.19 105.25 3i3d n GLY 593 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i3d n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i3d s ASP 594 N -3.09 6.67 -0.25 1.61 -4.77 -1.26 -4.99 116.67 110.59 3i3d s ASP 594 Ca 0.00 2.44 -0.26 0.00 -3.30 0.00 0.00 52.55 51.43 3i3d s ASP 594 Cb 0.00 -2.57 0.08 0.00 -1.09 0.00 0.00 42.92 39.33 3i3d s ASP 594 CO 0.00 -0.81 0.76 0.28 0.70 0.00 0.00 175.17 176.10 3i3d s THR 595 N 2.02 0.00 0.94 2.11 -1.32 -1.26 -4.11 115.64 114.02 3i3d s THR 595 Ca 0.70 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.07 3i3d s THR 595 Cb -0.39 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.75 3i3d s THR 595 CO 0.31 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.65 3i3d s PRO 596 N 0.21 0.89 0.22 7.08 0.04 -1.26 -5.16 135.00 137.01 3i3d s PRO 596 Ca -0.01 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 3i3d s PRO 596 Cb -0.05 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 3i3d s PRO 596 CO 0.01 -2.54 0.36 0.54 0.04 0.00 0.00 177.00 175.42 3i3d s ASN 597 N -3.13 -0.02 -0.37 6.66 2.20 -1.26 -4.80 114.94 114.22 3i3d s ASN 597 Ca 0.65 -0.99 0.06 0.00 -0.94 0.00 0.00 52.86 51.63 3i3d s ASN 597 Cb -0.20 0.51 0.48 0.00 -2.00 0.00 0.00 41.25 40.04 3i3d s ASN 597 CO 0.58 -1.02 1.48 0.47 -2.94 0.00 0.00 177.10 175.68 3i3d n ASP 598 N -0.32 4.44 0.00 3.54 8.00 -0.71 -4.97 116.55 126.54 3i3d n ASP 598 Ca -0.02 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.69 3i3d n ASP 598 Cb 0.63 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3i3d n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i3d n ARG 599 N -0.93 0.00 -0.00 -1.24 1.85 -1.25 -1.83 116.66 113.26 3i3d n ARG 599 Ca 0.43 0.00 0.15 0.00 -1.00 0.00 0.00 57.85 57.43 3i3d n ARG 599 Cb 0.94 0.00 0.86 0.00 -1.05 0.00 0.00 32.46 33.21 3i3d n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i3d n GLN 600 N 12.59 1.03 0.00 2.89 0.00 -1.26 -0.82 117.38 131.80 3i3d n GLN 600 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 57.00 57.00 3i3d n GLN 600 Cb 0.00 -1.46 0.20 0.00 0.00 0.00 0.00 30.24 28.98 3i3d n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3d n PHE 601 N -0.92 0.00 1.35 2.61 3.01 -0.76 -1.33 117.46 121.42 3i3d n PHE 601 Ca 0.22 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.81 3i3d n PHE 601 Cb 0.11 0.00 0.41 0.00 -0.01 0.00 0.00 39.48 39.99 3i3d n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i3d s MET 603 N -2.18 1.83 -0.02 0.00 -1.94 -0.44 -0.95 119.30 115.59 3i3d s MET 603 Ca 0.32 -1.86 0.03 0.00 -1.71 0.00 0.00 55.69 52.47 3i3d s MET 603 Cb 0.20 -3.45 0.04 0.00 2.01 0.00 0.00 34.83 33.63 3i3d s MET 603 CO 0.40 -1.03 0.95 0.09 -0.01 0.00 0.00 175.02 175.42 3i3d n ASN 604 N 4.45 0.41 -4.88 3.03 5.03 -1.26 -4.10 115.26 117.93 3i3d n ASN 604 Ca 0.00 -2.01 -0.30 0.00 0.87 0.00 0.00 54.58 53.14 3i3d n ASN 604 Cb 0.41 -0.20 0.01 0.00 -1.02 0.00 0.00 39.78 38.99 3i3d n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3i3d s GLY 605 N -1.13 1.63 0.43 7.41 0.00 -1.25 -0.91 107.32 113.50 3i3d s GLY 605 Ca 0.05 -0.22 0.26 0.00 0.00 0.00 0.00 44.72 44.81 3i3d s GLY 605 CO 0.00 0.05 1.72 1.41 0.00 0.00 0.00 173.10 176.28 3i3d h LEU 606 N -0.27 0.00 -8.49 0.66 3.38 0.48 -3.43 115.31 107.64 3i3d h LEU 606 Ca -0.45 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.16 3i3d h LEU 606 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.77 3i3d h LEU 606 CO 0.62 0.00 -0.75 0.68 0.09 0.00 0.00 178.44 179.08 3i3d s VAL 607 N -3.30 1.08 0.96 1.22 -7.23 -0.76 -0.79 120.40 111.58 3i3d s VAL 607 Ca 0.06 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 3i3d s VAL 607 Cb 0.07 -1.35 0.17 0.00 0.56 0.00 0.00 36.38 35.82 3i3d s VAL 607 CO 0.62 -0.46 1.09 -0.36 -0.31 0.00 0.00 175.10 175.68 3i3d s PHE 608 N -2.15 2.18 0.50 2.82 0.40 0.16 -1.82 117.98 120.06 3i3d s PHE 608 Ca 0.05 1.09 0.22 0.00 -0.60 0.00 0.00 56.93 57.70 3i3d s PHE 608 Cb -0.05 -3.22 1.29 0.00 0.51 0.00 0.00 43.02 41.55 3i3d s PHE 608 CO 0.01 -2.71 1.98 0.00 0.70 0.00 0.00 175.22 175.20 3i3d h ALA 609 N -1.77 2.37 -0.33 5.36 0.00 -1.88 0.18 119.26 123.19 3i3d h ALA 609 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i3d h ALA 609 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3i3d h ALA 609 CO 0.56 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 3i3d n ASP 610 N -4.41 2.57 -0.00 0.00 5.68 -1.26 -4.54 116.55 114.59 3i3d n ASP 610 Ca 0.11 -2.21 -0.00 0.00 -0.50 0.00 0.00 54.79 52.19 3i3d n ASP 610 Cb 0.56 -0.40 -0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3i3d n ASP 610 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i3d n ARG 611 N 0.45 -0.58 -2.39 0.11 3.00 0.63 -5.01 116.66 112.87 3i3d n ARG 611 Ca 0.13 0.15 -0.41 0.00 -0.01 0.00 0.00 57.85 57.71 3i3d n ARG 611 Cb 0.49 -3.59 -0.03 0.00 0.00 0.00 0.00 32.46 29.33 3i3d n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3i3d s THR 612 N -1.72 3.68 0.39 0.55 2.01 -1.25 -4.72 115.64 114.58 3i3d s THR 612 Ca 0.00 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.10 3i3d s THR 612 Cb 0.00 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 3i3d s THR 612 CO 0.00 0.19 1.26 -2.84 -0.69 0.00 0.00 174.62 172.54 3i3d s PRO 613 N 0.05 4.05 0.36 4.92 0.02 -1.26 0.35 135.00 143.50 3i3d s PRO 613 Ca 0.54 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.56 3i3d s PRO 613 Cb -0.32 -2.78 -0.05 0.00 0.02 0.00 0.00 34.50 31.37 3i3d s PRO 613 CO 0.35 -0.39 0.65 -1.01 -0.33 0.00 0.00 177.00 176.27 3i3d s HIS 614 N -1.29 3.50 0.38 6.54 3.76 0.03 -4.79 115.29 123.42 3i3d s HIS 614 Ca 0.56 0.71 0.12 0.00 -0.15 0.00 0.00 55.06 56.30 3i3d s HIS 614 Cb -0.36 -2.18 0.91 0.00 1.11 0.00 0.00 32.58 32.06 3i3d s HIS 614 CO 0.46 0.01 1.87 -1.35 -0.85 0.00 0.00 174.74 174.88 3i3d h PRO 615 N 1.12 0.57 -0.57 8.40 0.11 -1.93 -2.21 132.00 137.48 3i3d h PRO 615 Ca -0.48 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.76 3i3d h PRO 615 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3i3d h PRO 615 CO 0.64 0.38 0.41 0.00 -0.21 0.00 0.00 178.00 179.21 3i3d h ALA 616 N 1.61 2.51 -0.91 -0.75 0.00 -1.86 -2.23 119.26 117.63 3i3d h ALA 616 Ca 0.45 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.44 3i3d h ALA 616 Cb 0.85 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3i3d h ALA 616 CO -0.19 -0.68 0.59 1.25 0.00 0.00 0.00 179.25 180.22 3i3d h LEU 617 N 0.02 0.81 -0.87 0.00 5.85 -1.57 -1.20 115.31 118.35 3i3d h LEU 617 Ca 0.27 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 3i3d h LEU 617 Cb 1.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3i3d h LEU 617 CO -0.01 0.47 -0.32 0.00 -0.34 0.00 0.00 178.44 178.24 3i3d h THR 618 N 0.89 1.28 -0.31 1.05 1.03 -1.59 -1.15 112.91 114.11 3i3d h THR 618 Ca 0.43 -1.40 -0.08 0.00 -0.01 0.00 0.00 66.41 65.35 3i3d h THR 618 Cb 0.44 1.47 -0.02 0.00 -1.07 0.00 0.00 68.15 68.97 3i3d h THR 618 CO -0.19 0.44 -0.15 -0.08 -0.01 0.00 0.00 175.52 175.53 3i3d h GLU 619 N 0.40 0.54 -0.23 0.00 4.57 -1.35 -1.96 114.58 116.54 3i3d h GLU 619 Ca 0.05 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 57.94 3i3d h GLU 619 Cb 0.76 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3i3d h GLU 619 CO 0.06 0.67 -0.32 0.00 -1.18 0.00 0.00 179.01 178.24 3i3d h ALA 620 N 1.35 0.35 -0.69 2.92 0.00 -0.98 -2.31 119.26 119.90 3i3d h ALA 620 Ca 0.09 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3i3d h ALA 620 Cb 0.54 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3i3d h ALA 620 CO 0.03 0.39 0.44 -0.22 0.00 0.00 0.00 179.25 179.89 3i3d h LYS 621 N 0.32 0.84 0.01 0.00 3.64 -1.00 -1.12 116.57 119.27 3i3d h LYS 621 Ca 0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3i3d h LYS 621 Cb 0.90 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3i3d h LYS 621 CO 0.08 0.56 -0.00 1.25 -2.27 0.00 0.00 179.45 179.06 3i3d h HIS 622 N 0.87 -0.01 0.00 1.91 2.76 -1.36 -2.88 115.15 116.44 3i3d h HIS 622 Ca 0.27 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.42 3i3d h HIS 622 Cb -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 3i3d h HIS 622 CO -0.04 0.36 -0.13 1.96 -1.30 0.00 0.00 177.93 178.78 3i3d h GLN 623 N -0.39 0.00 -0.48 5.26 1.08 -1.32 -2.40 115.11 116.86 3i3d h GLN 623 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i3d h GLN 623 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3i3d h GLN 623 CO 0.00 0.13 0.00 1.04 -0.95 0.00 0.00 178.83 179.06 3i3d n GLN 624 N -3.70 2.17 -1.49 1.46 6.02 -0.43 -4.96 117.38 116.45 3i3d n GLN 624 Ca -0.02 -1.81 -0.38 0.00 -0.01 0.00 0.00 57.00 54.78 3i3d n GLN 624 Cb 0.25 -1.41 0.04 0.00 1.02 0.00 0.00 30.24 30.14 3i3d n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3d n GLN 625 N 0.98 0.56 0.00 -1.09 6.02 -0.91 -4.89 117.38 118.05 3i3d n GLN 625 Ca 0.17 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.50 3i3d n GLN 625 Cb 0.44 -1.75 0.15 0.00 1.02 0.00 0.00 30.24 30.10 3i3d n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i3d n PHE 626 N -1.69 0.00 -4.95 1.08 3.01 -1.26 -4.85 117.46 108.80 3i3d n PHE 626 Ca 0.12 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.30 3i3d n PHE 626 Cb 0.47 -0.04 -0.16 0.00 -0.01 0.00 0.00 39.48 39.74 3i3d n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3i3d s PHE 627 N -2.42 2.00 0.04 1.38 0.40 -1.26 0.24 117.98 118.37 3i3d s PHE 627 Ca 0.22 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 3i3d s PHE 627 Cb 0.19 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 3i3d s PHE 627 CO 0.52 -0.27 0.02 -0.65 0.70 0.00 0.00 175.22 175.54 3i3d s GLN 628 N 0.24 2.75 0.07 0.44 -1.52 0.46 -4.92 119.66 117.17 3i3d s GLN 628 Ca -0.11 -0.69 0.05 0.00 -1.95 0.00 0.00 55.36 52.67 3i3d s GLN 628 Cb -0.15 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 3i3d s GLN 628 CO 0.05 0.59 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.46 3i3d s PHE 629 N -1.23 1.28 0.02 0.91 0.40 -1.26 -0.27 117.98 117.84 3i3d s PHE 629 Ca 0.24 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 3i3d s PHE 629 Cb -0.12 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 3i3d s PHE 629 CO 0.16 0.07 -0.04 1.03 0.70 0.00 0.00 175.22 177.14 3i3d s ARG 630 N -1.68 0.36 -0.03 0.44 0.52 -0.78 -4.97 118.95 112.79 3i3d s ARG 630 Ca -0.01 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 3i3d s ARG 630 Cb -0.10 -0.01 -0.00 0.00 0.52 0.00 0.00 34.95 35.35 3i3d s ARG 630 CO 0.02 -0.02 -0.16 -1.17 0.02 0.00 0.00 175.30 174.00 3i3d s LEU 631 N -1.40 1.92 -0.25 2.53 2.96 -1.26 -0.66 118.68 122.52 3i3d s LEU 631 Ca -0.13 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3i3d s LEU 631 Cb -0.09 -0.89 0.11 0.00 0.50 0.00 0.00 46.19 45.82 3i3d s LEU 631 CO -0.01 0.15 0.24 -0.55 -1.32 0.00 0.00 176.35 174.86 3i3d s SER 632 N -0.03 1.78 1.69 3.68 0.15 -0.53 -5.03 113.70 115.41 3i3d s SER 632 Ca -0.02 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3i3d s SER 632 Cb -0.10 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 3i3d s SER 632 CO 0.01 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3i3d n GLY 633 N 5.31 2.63 0.98 9.45 0.00 -1.26 -1.47 105.19 120.82 3i3d n GLY 633 Ca -0.04 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3i3d n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3d n GLN 634 N 6.97 2.23 -3.97 1.61 1.13 -1.26 -4.95 117.38 119.14 3i3d n GLN 634 Ca 0.00 -2.01 -0.35 0.00 -1.94 0.00 0.00 57.00 52.71 3i3d n GLN 634 Cb 0.00 -1.45 -0.09 0.00 0.11 0.00 0.00 30.24 28.81 3i3d n GLN 634 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3i3d s THR 635 N -1.64 4.92 -0.18 5.09 2.01 -0.54 0.75 115.64 126.04 3i3d s THR 635 Ca 0.31 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 3i3d s THR 635 Cb 0.20 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 3i3d s THR 635 CO 0.29 0.48 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.04 3i3d s ILE 636 N 0.20 3.87 -0.30 1.82 1.01 0.48 -1.46 121.20 126.83 3i3d s ILE 636 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 3i3d s ILE 636 Cb -0.12 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3i3d s ILE 636 CO 0.00 0.46 0.13 -0.70 0.00 0.00 0.00 174.94 174.83 3i3d s GLU 637 N 0.71 3.38 -0.25 2.79 2.12 0.16 -0.19 118.70 127.43 3i3d s GLU 637 Ca -0.01 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.55 3i3d s GLU 637 Cb -0.14 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3i3d s GLU 637 CO 0.02 -0.37 0.12 0.08 -0.54 0.00 0.00 175.26 174.57 3i3d s VAL 638 N 1.60 4.82 -0.10 3.70 1.01 0.59 -1.88 120.40 130.14 3i3d s VAL 638 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 3i3d s VAL 638 Cb -0.17 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3i3d s VAL 638 CO 0.05 0.33 -0.09 -0.89 0.00 0.00 0.00 175.10 174.51 3i3d s THR 639 N 1.39 3.48 -0.10 3.92 2.01 0.62 -0.51 115.64 126.45 3i3d s THR 639 Ca 0.06 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 3i3d s THR 639 Cb -0.15 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 3i3d s THR 639 CO 0.06 0.55 0.38 -0.55 -0.69 0.00 0.00 174.62 174.37 3i3d s SER 640 N -0.19 6.62 -0.07 3.53 0.15 0.26 -0.41 113.70 123.58 3i3d s SER 640 Ca 0.02 0.73 0.17 0.00 0.70 0.00 0.00 55.95 57.57 3i3d s SER 640 Cb -0.13 -2.23 0.59 0.00 -1.71 0.00 0.00 66.02 62.53 3i3d s SER 640 CO 0.03 0.14 1.50 -0.62 1.20 0.00 0.00 173.24 175.49 3i3d n GLU 641 N 3.09 3.26 -2.79 5.44 1.02 0.14 -2.43 120.64 128.36 3i3d n GLU 641 Ca -0.11 -2.65 -0.34 0.00 -0.02 0.00 0.00 57.16 54.04 3i3d n GLU 641 Cb 0.52 -1.68 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 3i3d n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3i3d s TYR 642 N -1.61 3.39 -0.18 -0.32 1.51 -1.26 -4.86 117.35 114.01 3i3d s TYR 642 Ca 0.43 1.65 0.17 0.00 -1.01 0.00 0.00 57.07 58.32 3i3d s TYR 642 Cb 0.27 -2.88 -0.24 0.00 -0.11 0.00 0.00 41.96 38.99 3i3d s TYR 642 CO 0.22 -0.08 0.09 1.28 -1.11 0.00 0.00 175.55 175.95 3i3d n LEU 643 N -0.36 0.00 0.00 -1.29 4.77 -1.26 -1.62 117.00 117.24 3i3d n LEU 643 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i3d n LEU 643 Cb 0.53 0.46 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 3i3d n LEU 643 CO 0.39 0.46 -0.45 0.49 -1.33 0.00 0.00 177.39 176.95 3i3d n PHE 644 N -2.70 0.00 -3.74 -1.77 3.01 -1.26 -4.84 117.46 106.16 3i3d n PHE 644 Ca -0.30 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.85 3i3d n PHE 644 Cb 1.10 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.53 3i3d n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3i3d s ARG 645 N -1.90 3.56 0.40 -1.08 1.70 -1.26 -4.83 118.95 115.54 3i3d s ARG 645 Ca 0.00 -0.20 -0.06 0.00 -0.47 0.00 0.00 55.73 55.00 3i3d s ARG 645 Cb 0.00 -2.90 -0.05 0.00 -0.57 0.00 0.00 34.95 31.43 3i3d s ARG 645 CO 0.00 0.50 0.70 -1.58 -1.08 0.00 0.00 175.30 173.85 3i3d s HIS 646 N -1.63 3.51 -1.40 5.89 5.65 -1.26 -3.52 115.29 122.52 3i3d s HIS 646 Ca 0.39 0.81 -0.10 0.00 0.25 0.00 0.00 55.06 56.41 3i3d s HIS 646 Cb -0.12 -2.27 -0.07 0.00 -1.18 0.00 0.00 32.58 28.94 3i3d s HIS 646 CO 0.26 -0.08 2.62 -1.13 -0.65 0.00 0.00 174.74 175.76 3i3d n SER 647 N -1.57 6.94 -0.09 9.88 3.41 -0.73 -4.68 113.62 126.77 3i3d n SER 647 Ca 0.00 -2.55 0.01 0.00 -0.26 0.00 0.00 58.87 56.06 3i3d n SER 647 Cb 0.55 -1.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.07 3i3d n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i3d n ASP 648 N 4.25 0.26 -2.76 4.04 5.68 -1.26 -3.62 116.55 123.14 3i3d n ASP 648 Ca 0.66 -2.00 -0.10 0.00 -0.50 0.00 0.00 54.79 52.85 3i3d n ASP 648 Cb 0.24 -0.05 0.06 0.00 -1.14 0.00 0.00 41.12 40.23 3i3d n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i3d n ASN 649 N -0.37 -0.21 -3.82 -1.12 5.15 -1.26 -5.05 115.26 108.58 3i3d n ASN 649 Ca 0.01 -2.79 -0.13 0.00 -0.60 0.00 0.00 54.58 51.08 3i3d n ASN 649 Cb 0.04 0.27 -0.13 0.00 -0.53 0.00 0.00 39.78 39.43 3i3d n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i3d s GLU 650 N -1.51 0.11 -0.04 1.20 8.01 -1.24 -4.20 118.70 121.04 3i3d s GLU 650 Ca 0.27 0.18 0.01 0.00 0.01 0.00 0.00 54.97 55.43 3i3d s GLU 650 Cb 0.40 0.01 0.03 0.00 -4.31 0.00 0.00 34.13 30.26 3i3d s GLU 650 CO -0.03 -0.04 -0.01 -1.17 0.01 0.00 0.00 175.26 174.01 3i3d s LEU 651 N 0.26 1.18 -0.28 1.80 2.96 0.18 -2.49 118.68 122.29 3i3d s LEU 651 Ca -0.02 -0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.67 3i3d s LEU 651 Cb -0.03 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 3i3d s LEU 651 CO -0.01 -0.09 0.44 -0.22 -1.32 0.00 0.00 176.35 175.15 3i3d s LEU 652 N 1.04 4.09 -0.16 -0.68 2.96 0.43 0.46 118.68 126.83 3i3d s LEU 652 Ca -0.10 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 3i3d s LEU 652 Cb -0.14 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 3i3d s LEU 652 CO -0.01 -0.26 0.04 -1.00 -1.32 0.00 0.00 176.35 173.80 3i3d s HIS 653 N 2.19 3.23 0.12 5.38 3.76 0.21 -0.03 115.29 130.16 3i3d s HIS 653 Ca 0.17 0.08 0.10 0.00 -0.15 0.00 0.00 55.06 55.26 3i3d s HIS 653 Cb -0.16 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 3i3d s HIS 653 CO 0.10 0.23 -0.24 1.67 -0.85 0.00 0.00 174.74 175.65 3i3d s TRP 654 N 0.04 2.05 -0.11 1.40 1.48 0.52 -1.03 118.94 123.29 3i3d s TRP 654 Ca 0.05 -0.40 -0.09 0.00 -1.06 0.00 0.00 56.10 54.59 3i3d s TRP 654 Cb -0.12 -1.10 0.03 0.00 -1.16 0.00 0.00 33.47 31.11 3i3d s TRP 654 CO 0.01 0.29 0.29 1.41 -4.06 0.00 0.00 176.95 174.88 3i3d s MET 655 N -2.05 0.32 -0.15 3.25 1.75 0.10 -1.27 119.30 121.25 3i3d s MET 655 Ca 0.11 0.43 0.01 0.00 -1.25 0.00 0.00 55.69 54.99 3i3d s MET 655 Cb -0.10 0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.72 3i3d s MET 655 CO 0.05 -0.06 -0.18 0.08 -0.65 0.00 0.00 175.02 174.27 3i3d s VAL 656 N 0.30 1.83 0.08 10.11 1.01 0.26 -0.33 120.40 133.67 3i3d s VAL 656 Ca -0.01 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3i3d s VAL 656 Cb -0.03 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3i3d s VAL 656 CO -0.01 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 3i3d s ALA 657 N 1.15 1.12 -0.32 5.51 0.00 -0.67 -0.69 121.76 127.86 3i3d s ALA 657 Ca -0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 3i3d s ALA 657 Cb -0.14 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3i3d s ALA 657 CO -0.07 0.10 0.12 -1.17 0.00 0.00 0.00 175.76 174.74 3i3d s LEU 658 N -1.90 4.14 -1.47 0.00 2.96 0.36 -0.69 118.68 122.09 3i3d s LEU 658 Ca -0.01 -0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 53.05 3i3d s LEU 658 Cb -0.08 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3i3d s LEU 658 CO 0.02 -0.26 0.25 0.47 -1.32 0.00 0.00 176.35 175.51 3i3d n ASP 659 N 4.89 0.17 0.00 3.68 8.00 -1.08 -0.08 116.55 132.13 3i3d n ASP 659 Ca -0.13 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3i3d n ASP 659 Cb 0.47 -2.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 3i3d n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3d n GLY 660 N -2.22 1.92 3.47 0.44 0.00 -1.26 -4.80 105.19 102.75 3i3d n GLY 660 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3i3d n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3d s LYS 661 N -0.16 3.13 0.21 1.61 1.02 0.89 -4.67 119.74 121.77 3i3d s LYS 661 Ca 0.00 -0.77 -0.32 0.00 0.02 0.00 0.00 55.97 54.90 3i3d s LYS 661 Cb 0.00 -4.02 -0.12 0.00 -0.52 0.00 0.00 37.83 33.17 3i3d s LYS 661 CO 0.00 -1.01 1.70 -0.35 -0.92 0.00 0.00 175.35 174.77 3i3d n PRO 662 N 5.87 2.71 -0.07 -1.68 -0.04 -1.26 -0.49 135.00 140.05 3i3d n PRO 662 Ca -0.06 0.98 -0.12 0.00 -0.04 0.00 0.00 63.50 64.26 3i3d n PRO 662 Cb 0.47 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.06 3i3d n PRO 662 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i3d n LEU 663 N 3.71 2.07 -3.74 1.53 4.32 0.13 -4.91 117.00 120.12 3i3d n LEU 663 Ca 0.15 0.04 -0.12 0.00 -0.02 0.00 0.00 56.01 56.06 3i3d n LEU 663 Cb 0.34 -0.43 -0.07 0.00 -1.62 0.00 0.00 43.42 41.64 3i3d n LEU 663 CO 0.64 0.52 0.05 0.00 -1.22 0.00 0.00 177.39 177.38 3i3d s ALA 664 N -2.26 -0.75 0.14 -1.18 0.00 -1.10 -5.03 121.76 111.58 3i3d s ALA 664 Ca -0.18 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.62 3i3d s ALA 664 Cb 0.06 0.31 0.07 0.00 0.00 0.00 0.00 23.12 23.56 3i3d s ALA 664 CO 0.27 -0.41 0.78 -1.54 0.00 0.00 0.00 175.76 174.86 3i3d s SER 665 N -2.01 -0.37 -0.01 0.00 1.04 -1.26 -0.57 113.70 110.53 3i3d s SER 665 Ca -0.05 -0.22 -0.20 0.00 0.48 0.00 0.00 55.95 55.96 3i3d s SER 665 Cb -0.01 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.72 3i3d s SER 665 CO -0.03 -0.95 0.91 0.61 0.98 0.00 0.00 173.24 174.76 3i3d n GLY 666 N -0.38 0.36 3.01 7.32 0.00 -0.40 -4.99 105.19 110.11 3i3d n GLY 666 Ca -0.10 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3i3d n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i3d s GLU 667 N -2.01 0.39 -0.02 1.61 -1.05 -1.26 -0.35 118.70 116.01 3i3d s GLU 667 Ca 0.21 -0.73 -0.00 0.00 -0.15 0.00 0.00 54.97 54.29 3i3d s GLU 667 Cb -0.01 0.07 0.02 0.00 -0.44 0.00 0.00 34.13 33.78 3i3d s GLU 667 CO -0.00 -0.05 0.04 0.08 0.95 0.00 0.00 175.26 176.28 3i3d s VAL 668 N -1.87 -0.04 0.24 1.83 1.01 0.96 -4.99 120.40 117.54 3i3d s VAL 668 Ca -0.11 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3i3d s VAL 668 Cb -0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 36.38 36.14 3i3d s VAL 668 CO -0.02 0.06 1.28 -2.84 0.00 0.00 0.00 175.10 173.58 3i3d s PRO 669 N 0.75 4.42 -0.12 2.72 0.02 -1.26 -0.43 135.00 141.09 3i3d s PRO 669 Ca -0.06 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 62.83 3i3d s PRO 669 Cb -0.09 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 3i3d s PRO 669 CO -0.02 -0.18 0.48 -0.51 -0.33 0.00 0.00 177.00 176.44 3i3d s LEU 670 N -0.65 4.27 -0.47 -5.54 1.43 -1.04 -4.84 118.68 111.84 3i3d s LEU 670 Ca 0.53 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.49 3i3d s LEU 670 Cb -0.36 -2.69 0.20 0.00 0.03 0.00 0.00 46.19 43.37 3i3d s LEU 670 CO 0.42 -0.01 0.47 -0.67 0.23 0.00 0.00 176.35 176.78 3i3d n ASP 671 N 3.75 0.73 -4.34 2.29 2.03 -1.26 -4.71 116.55 115.03 3i3d n ASP 671 Ca -0.07 -2.72 -0.33 0.00 0.52 0.00 0.00 54.79 52.19 3i3d n ASP 671 Cb 0.52 -0.62 -0.15 0.00 -0.72 0.00 0.00 41.12 40.14 3i3d n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3i3d s VAL 672 N -0.86 2.88 0.59 5.18 1.01 -1.26 -4.90 120.40 123.04 3i3d s VAL 672 Ca 0.33 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 3i3d s VAL 672 Cb 0.08 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3i3d s VAL 672 CO -0.14 0.53 1.05 0.00 0.00 0.00 0.00 175.10 176.54 3i3d s ALA 673 N 0.36 2.76 0.30 5.51 0.00 -1.26 -1.77 121.76 127.66 3i3d s ALA 673 Ca -0.12 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 3i3d s ALA 673 Cb -0.16 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 3i3d s ALA 673 CO 0.06 -0.79 1.40 -0.35 0.00 0.00 0.00 175.76 176.09 3i3d n PRO 674 N -2.07 2.25 -0.72 0.00 -0.04 -1.23 0.09 135.00 133.28 3i3d n PRO 674 Ca 0.08 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3i3d n PRO 674 Cb 0.53 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3i3d n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i3d n GLN 675 N 1.37 0.00 -2.37 0.54 1.13 -0.64 -4.94 117.38 112.47 3i3d n GLN 675 Ca 0.08 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.90 3i3d n GLN 675 Cb 0.35 -3.54 0.13 0.00 0.11 0.00 0.00 30.24 27.29 3i3d n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i3d n GLY 676 N -2.00 0.18 3.21 1.08 0.00 0.11 -4.70 105.19 103.07 3i3d n GLY 676 Ca 0.00 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 3i3d n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3d s LYS 677 N -5.22 0.94 -0.01 1.61 1.02 -1.26 -0.58 119.74 116.24 3i3d s LYS 677 Ca 0.67 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.45 3i3d s LYS 677 Cb -0.03 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.58 3i3d s LYS 677 CO 0.45 0.12 0.00 -1.14 -0.92 0.00 0.00 175.35 173.86 3i3d s GLN 678 N -2.77 0.09 -0.22 1.68 0.74 0.33 -4.85 119.66 114.66 3i3d s GLN 678 Ca 0.07 0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.44 3i3d s GLN 678 Cb -0.04 -0.20 -0.04 0.00 1.10 0.00 0.00 33.01 33.84 3i3d s GLN 678 CO 0.01 -0.05 0.08 -0.51 -0.55 0.00 0.00 175.29 174.28 3i3d s LEU 679 N 0.44 3.70 -0.21 3.68 1.43 -1.26 -0.30 118.68 126.16 3i3d s LEU 679 Ca -0.04 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3i3d s LEU 679 Cb -0.06 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3i3d s LEU 679 CO -0.01 0.06 -0.11 -0.63 0.23 0.00 0.00 176.35 175.89 3i3d s ILE 680 N 1.08 2.77 -0.31 -0.59 1.01 0.73 -4.96 121.20 120.93 3i3d s ILE 680 Ca 0.05 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 3i3d s ILE 680 Cb -0.14 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 3i3d s ILE 680 CO 0.03 0.44 0.61 -0.70 0.00 0.00 0.00 174.94 175.33 3i3d s GLU 681 N 1.38 3.86 0.35 2.79 2.56 -1.26 -0.38 118.70 127.99 3i3d s GLU 681 Ca 0.05 0.23 -0.26 0.00 0.00 0.00 0.00 54.97 54.98 3i3d s GLU 681 Cb -0.14 -3.74 -0.09 0.00 2.00 0.00 0.00 34.13 32.16 3i3d s GLU 681 CO -0.07 -0.59 1.07 -0.51 -0.56 0.00 0.00 175.26 174.60 3i3d s LEU 682 N 2.59 4.33 0.94 2.70 1.43 0.23 -5.00 118.68 125.89 3i3d s LEU 682 Ca 0.24 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 3i3d s LEU 682 Cb -0.15 -3.93 0.16 0.00 0.03 0.00 0.00 46.19 42.29 3i3d s LEU 682 CO 0.12 -0.33 1.09 -2.16 0.23 0.00 0.00 176.35 175.30 3i3d s PRO 683 N -2.02 0.87 -0.26 1.29 0.04 -1.26 -4.85 135.00 128.81 3i3d s PRO 683 Ca 0.52 0.71 -0.34 0.00 0.04 0.00 0.00 61.00 61.93 3i3d s PRO 683 Cb -0.26 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3i3d s PRO 683 CO 0.33 -2.48 2.09 -1.91 0.04 0.00 0.00 177.00 175.07 3i3d n GLU 684 N -4.03 1.48 -2.95 4.56 2.13 -1.26 -4.89 120.64 115.68 3i3d n GLU 684 Ca 0.06 0.46 -0.43 0.00 0.66 0.00 0.00 57.16 57.91 3i3d n GLU 684 Cb 0.56 -2.60 -0.05 0.00 0.27 0.00 0.00 31.44 29.62 3i3d n GLU 684 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3i3d s LEU 685 N 6.41 4.31 0.21 4.31 1.43 -1.26 -5.01 118.68 129.08 3i3d s LEU 685 Ca 1.03 -0.31 -0.32 0.00 -1.03 0.00 0.00 54.13 53.50 3i3d s LEU 685 Cb -0.75 -2.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 3i3d s LEU 685 CO 0.49 -1.01 1.68 -0.81 0.23 0.00 0.00 176.35 176.93 3i3d n PRO 686 N 6.87 2.63 -2.09 1.29 -0.04 -1.26 -4.93 135.00 137.47 3i3d n PRO 686 Ca 0.01 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 64.00 3i3d n PRO 686 Cb 0.48 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 3i3d n PRO 686 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i3d s GLN 687 N 0.96 4.29 0.58 0.54 1.11 -1.26 -4.99 119.66 120.90 3i3d s GLN 687 Ca 0.75 2.18 -0.17 0.00 0.01 0.00 0.00 55.36 58.13 3i3d s GLN 687 Cb -0.54 -3.20 -0.04 0.00 -1.01 0.00 0.00 33.01 28.22 3i3d s GLN 687 CO 0.35 -0.46 1.08 -1.25 0.01 0.00 0.00 175.29 175.03 3i3d s PRO 688 N 0.74 3.28 -0.13 2.91 0.04 -1.26 -5.00 135.00 135.57 3i3d s PRO 688 Ca 0.64 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 3i3d s PRO 688 Cb -0.39 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 31.99 3i3d s PRO 688 CO 0.33 -0.87 0.33 0.93 0.04 0.00 0.00 177.00 177.77 3i3d h GLU 689 N 0.69 0.00 -7.23 4.56 4.39 -2.04 -3.47 114.58 111.48 3i3d h GLU 689 Ca -0.48 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.69 3i3d h GLU 689 Cb 1.24 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 30.06 3i3d h GLU 689 CO 0.57 0.54 0.32 0.45 -1.16 0.00 0.00 179.01 179.72 3i3d s SER 690 N -6.01 3.65 0.66 1.42 0.15 -1.26 -5.00 113.70 107.31 3i3d s SER 690 Ca -0.13 2.25 -0.12 0.00 0.70 0.00 0.00 55.95 58.65 3i3d s SER 690 Cb -0.00 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3i3d s SER 690 CO 0.38 -2.62 1.05 0.00 1.20 0.00 0.00 173.24 173.26 3i3d s ALA 691 N -2.34 2.76 0.00 5.45 0.00 -1.26 -4.90 121.76 121.47 3i3d s ALA 691 Ca 0.70 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3i3d s ALA 691 Cb -0.26 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3i3d s ALA 691 CO 0.52 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3i3d n GLY 692 N -1.89 0.84 3.47 0.00 0.00 0.30 -4.94 105.19 102.98 3i3d n GLY 692 Ca 0.07 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3i3d n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3d s GLN 693 N -1.26 3.68 0.06 1.61 2.00 -1.26 -0.19 119.66 124.30 3i3d s GLN 693 Ca 0.00 -0.48 -0.25 0.00 -2.00 0.00 0.00 55.36 52.63 3i3d s GLN 693 Cb 0.00 -3.18 -0.06 0.00 0.80 0.00 0.00 33.01 30.57 3i3d s GLN 693 CO 0.00 -0.02 0.77 -0.51 -0.50 0.00 0.00 175.29 175.04 3i3d s LEU 694 N 1.11 4.47 -0.05 3.68 1.43 -0.28 -2.64 118.68 126.40 3i3d s LEU 694 Ca 0.03 1.48 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 3i3d s LEU 694 Cb -0.14 -3.25 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 3i3d s LEU 694 CO 0.02 0.04 -0.20 0.26 0.23 0.00 0.00 176.35 176.70 3i3d s TRP 695 N -0.20 1.97 -0.21 0.29 0.52 0.14 0.39 118.94 121.85 3i3d s TRP 695 Ca 0.38 -0.60 -0.09 0.00 0.02 0.00 0.00 56.10 55.82 3i3d s TRP 695 Cb -0.21 -1.32 -0.05 0.00 -1.15 0.00 0.00 33.47 30.75 3i3d s TRP 695 CO 0.24 -0.20 0.11 -1.17 0.02 0.00 0.00 176.95 175.95 3i3d s LEU 696 N 0.01 4.03 -0.10 2.99 2.96 0.23 -1.67 118.68 127.14 3i3d s LEU 696 Ca -0.05 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3i3d s LEU 696 Cb -0.13 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.53 3i3d s LEU 696 CO 0.03 0.14 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.20 3i3d s THR 697 N 0.58 1.23 0.11 3.68 2.01 0.55 -1.20 115.64 122.60 3i3d s THR 697 Ca 0.06 -0.47 0.10 0.00 0.31 0.00 0.00 61.69 61.69 3i3d s THR 697 Cb -0.12 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3i3d s THR 697 CO 0.01 0.39 -0.25 0.68 -0.69 0.00 0.00 174.62 174.75 3i3d s VAL 698 N 1.19 2.11 -0.02 3.82 -7.23 -0.23 -0.72 120.40 119.31 3i3d s VAL 698 Ca -0.04 -1.64 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 3i3d s VAL 698 Cb -0.14 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 34.95 3i3d s VAL 698 CO -0.03 0.11 0.22 0.00 -0.31 0.00 0.00 175.10 175.08 3i3d s ARG 699 N -1.87 0.50 -0.23 4.82 1.70 -0.20 -1.36 118.95 122.31 3i3d s ARG 699 Ca 0.12 -0.16 -0.10 0.00 -0.47 0.00 0.00 55.73 55.12 3i3d s ARG 699 Cb -0.10 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 3i3d s ARG 699 CO 0.05 -0.12 0.15 0.08 -1.08 0.00 0.00 175.30 174.38 3i3d s VAL 700 N -1.01 5.33 0.02 4.99 1.01 0.76 -0.62 120.40 130.88 3i3d s VAL 700 Ca -0.11 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3i3d s VAL 700 Cb -0.05 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3i3d s VAL 700 CO 0.02 0.37 -0.16 -0.69 0.00 0.00 0.00 175.10 174.64 3i3d s VAL 701 N 0.89 2.94 -0.49 2.92 1.01 0.17 -1.61 120.40 126.24 3i3d s VAL 701 Ca 0.07 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 3i3d s VAL 701 Cb -0.13 -2.23 0.11 0.00 0.00 0.00 0.00 36.38 34.13 3i3d s VAL 701 CO 0.03 0.39 0.40 -1.10 0.00 0.00 0.00 175.10 174.81 3i3d s GLN 702 N -1.32 2.77 0.25 2.72 -0.21 -0.21 0.47 119.66 124.13 3i3d s GLN 702 Ca 0.15 -1.63 -0.03 0.00 0.02 0.00 0.00 55.36 53.86 3i3d s GLN 702 Cb -0.11 -4.08 0.45 0.00 1.00 0.00 0.00 33.01 30.27 3i3d s GLN 702 CO 0.05 -1.18 1.78 -1.35 -2.12 0.00 0.00 175.29 172.47 3i3d h PRO 703 N 8.66 0.64 -5.93 2.91 0.11 -1.89 0.20 132.00 136.70 3i3d h PRO 703 Ca -0.26 -0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.19 3i3d h PRO 703 Cb 1.09 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 3i3d h PRO 703 CO 0.92 0.42 -0.43 -0.80 -0.21 0.00 0.00 178.00 177.90 3i3d s ASN 704 N -5.49 6.42 0.68 -2.05 0.01 -1.26 -3.77 114.94 109.48 3i3d s ASN 704 Ca -0.12 0.42 -0.14 0.00 -0.71 0.00 0.00 52.86 52.31 3i3d s ASN 704 Cb 0.20 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.85 3i3d s ASN 704 CO 0.78 0.19 1.10 0.00 -1.51 0.00 0.00 177.10 177.66 3i3d s ALA 705 N -1.44 2.43 0.24 0.60 0.00 -1.26 -4.45 121.76 117.88 3i3d s ALA 705 Ca 0.32 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3i3d s ALA 705 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3i3d s ALA 705 CO 0.22 -1.37 0.07 0.25 0.00 0.00 0.00 175.76 174.93 3i3d n THR 706 N -2.68 0.00 0.25 0.00 -2.24 0.12 -4.92 114.28 104.81 3i3d n THR 706 Ca 0.10 -1.33 0.14 0.00 -2.27 0.00 0.00 64.05 60.68 3i3d n THR 706 Cb 0.52 0.45 0.57 0.00 -2.10 0.00 0.00 70.33 69.77 3i3d n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d h ALA 707 N 1.34 1.02 -0.00 6.98 0.00 -1.99 -3.24 119.26 123.36 3i3d h ALA 707 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i3d h ALA 707 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i3d h ALA 707 CO 0.30 0.13 -0.01 -2.67 0.00 0.00 0.00 179.25 177.00 3i3d n TRP 708 N -3.24 0.00 -3.75 0.00 4.27 -1.26 -5.06 117.44 108.40 3i3d n TRP 708 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.50 3i3d n TRP 708 Cb 0.36 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.24 3i3d n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3i3d s SER 709 N -0.36 -0.14 0.48 -0.67 1.04 -1.23 -4.72 113.70 108.10 3i3d s SER 709 Ca 0.04 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.27 3i3d s SER 709 Cb 0.03 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3i3d s SER 709 CO 0.05 -0.60 0.77 -1.61 0.98 0.00 0.00 173.24 172.84 3i3d s GLU 710 N -2.41 3.50 0.40 4.02 2.02 -1.26 0.12 118.70 125.09 3i3d s GLU 710 Ca -0.06 0.14 -0.27 0.00 0.02 0.00 0.00 54.97 54.81 3i3d s GLU 710 Cb -0.01 -2.39 -0.10 0.00 0.10 0.00 0.00 34.13 31.72 3i3d s GLU 710 CO -0.02 -0.21 1.38 0.00 0.02 0.00 0.00 175.26 176.43 3i3d n ALA 711 N -2.24 1.80 -0.40 5.21 0.00 -1.26 -2.19 120.51 121.42 3i3d n ALA 711 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3i3d n ALA 711 Cb 0.55 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3i3d n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3d n GLY 712 N 0.64 0.86 3.67 0.00 0.00 0.71 -4.95 105.19 106.11 3i3d n GLY 712 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3i3d n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i3d n HIS 713 N -2.00 2.24 -3.38 1.61 -0.00 -0.93 -4.58 115.22 108.18 3i3d n HIS 713 Ca 0.00 0.34 -0.39 0.00 0.46 0.00 0.00 57.72 58.13 3i3d n HIS 713 Cb 0.00 -2.51 -0.08 0.00 -0.12 0.00 0.00 29.99 27.28 3i3d n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3i3d s ILE 714 N 0.47 5.17 -0.03 3.57 1.01 -1.26 -1.04 121.20 129.09 3i3d s ILE 714 Ca 0.74 0.64 0.17 0.00 0.00 0.00 0.00 60.65 62.20 3i3d s ILE 714 Cb -0.66 -3.72 -0.26 0.00 0.01 0.00 0.00 42.46 37.83 3i3d s ILE 714 CO 0.43 0.19 0.36 -1.54 0.00 0.00 0.00 174.94 174.38 3i3d n SER 715 N 5.04 1.18 -3.46 3.58 3.41 -0.64 -5.03 113.62 117.71 3i3d n SER 715 Ca -0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.39 3i3d n SER 715 Cb 0.51 1.74 -0.03 0.00 -0.26 0.00 0.00 64.21 66.16 3i3d n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d s ALA 716 N -3.14 -1.66 0.21 7.33 0.00 -1.25 -4.68 121.76 118.57 3i3d s ALA 716 Ca -0.06 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 3i3d s ALA 716 Cb 0.11 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.83 3i3d s ALA 716 CO 0.69 -0.62 0.62 1.67 0.00 0.00 0.00 175.76 178.12 3i3d s TRP 717 N -2.82 -0.32 -0.12 0.00 -2.14 -1.26 -0.17 118.94 112.11 3i3d s TRP 717 Ca -0.03 -0.01 -0.30 0.00 2.66 0.00 0.00 56.10 58.42 3i3d s TRP 717 Cb -0.01 0.57 0.12 0.00 -3.10 0.00 0.00 33.47 31.05 3i3d s TRP 717 CO -0.05 -1.00 0.96 -1.14 -2.66 0.00 0.00 176.95 173.06 3i3d s GLN 718 N -3.84 0.67 0.12 3.25 2.00 -0.47 -4.98 119.66 116.41 3i3d s GLN 718 Ca 0.06 0.05 0.05 0.00 -2.00 0.00 0.00 55.36 53.52 3i3d s GLN 718 Cb -0.03 0.31 -0.04 0.00 0.80 0.00 0.00 33.01 34.06 3i3d s GLN 718 CO -0.04 -0.23 -0.12 -0.65 -0.50 0.00 0.00 175.29 173.75 3i3d s GLN 719 N -1.57 0.98 -0.07 1.67 -0.21 -1.26 -1.07 119.66 118.13 3i3d s GLN 719 Ca -0.01 -1.26 -0.07 0.00 0.02 0.00 0.00 55.36 54.05 3i3d s GLN 719 Cb -0.01 -0.74 0.02 0.00 1.00 0.00 0.00 33.01 33.28 3i3d s GLN 719 CO -0.00 0.13 0.19 -1.58 -2.12 0.00 0.00 175.29 171.91 3i3d s TRP 720 N -2.46 -0.20 -0.01 0.91 0.51 -0.34 -4.99 118.94 112.35 3i3d s TRP 720 Ca 0.09 0.48 -0.29 0.00 -2.12 0.00 0.00 56.10 54.27 3i3d s TRP 720 Cb -0.03 0.07 -0.03 0.00 -0.81 0.00 0.00 33.47 32.67 3i3d s TRP 720 CO 0.02 -0.12 0.94 1.03 -0.51 0.00 0.00 176.95 178.31 3i3d s ARG 721 N -0.01 4.54 0.00 4.98 0.52 -1.26 -0.60 118.95 127.11 3i3d s ARG 721 Ca -0.01 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 3i3d s ARG 721 Cb -0.02 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3i3d s ARG 721 CO 0.00 -0.04 0.00 1.28 0.02 0.00 0.00 175.30 176.56 3i3d n LEU 722 N 3.91 0.00 -4.75 2.53 4.77 0.16 -4.91 117.00 118.72 3i3d n LEU 722 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 3i3d n LEU 722 Cb 0.51 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3i3d n LEU 722 CO 0.51 0.00 0.79 0.00 -1.33 0.00 0.00 177.39 177.36 3i3d s ALA 723 N -3.11 2.34 -0.03 -1.18 0.00 -1.26 -4.66 121.76 113.86 3i3d s ALA 723 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3i3d s ALA 723 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3i3d s ALA 723 CO 0.00 -1.49 -0.09 -2.00 0.00 0.00 0.00 175.76 172.18 3i3d s GLU 724 N -3.79 0.97 -0.30 0.00 2.12 -1.26 -1.12 118.70 115.31 3i3d s GLU 724 Ca 0.73 -0.30 -0.02 0.00 0.36 0.00 0.00 54.97 55.74 3i3d s GLU 724 Cb -0.27 -0.90 0.05 0.00 0.26 0.00 0.00 34.13 33.27 3i3d s GLU 724 CO 0.40 0.11 0.00 -0.80 -0.54 0.00 0.00 175.26 174.43 3i3d s ASN 725 N 0.22 4.89 0.27 -1.70 0.01 0.73 -4.96 114.94 114.39 3i3d s ASN 725 Ca -0.04 -1.24 -0.29 0.00 -0.71 0.00 0.00 52.86 50.58 3i3d s ASN 725 Cb -0.09 -1.72 -0.10 0.00 0.41 0.00 0.00 41.25 39.76 3i3d s ASN 725 CO 0.01 -0.26 1.30 -0.76 -1.51 0.00 0.00 177.10 175.88 3i3d s LEU 726 N 1.27 4.43 -0.28 0.60 1.43 -1.26 -0.54 118.68 124.33 3i3d s LEU 726 Ca -0.05 2.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.30 3i3d s LEU 726 Cb -0.20 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.41 3i3d s LEU 726 CO -0.01 -0.51 1.05 -0.55 0.23 0.00 0.00 176.35 176.56 3i3d s SER 727 N -0.11 7.00 -0.04 2.29 0.15 -1.26 -4.86 113.70 116.86 3i3d s SER 727 Ca 0.53 1.18 0.07 0.00 0.70 0.00 0.00 55.95 58.43 3i3d s SER 727 Cb -0.38 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.28 3i3d s SER 727 CO 0.45 -0.78 0.10 1.33 1.20 0.00 0.00 173.24 175.55 3i3d n VAL 728 N 5.61 0.25 -1.67 4.45 0.24 -1.26 -5.02 118.33 120.93 3i3d n VAL 728 Ca 0.12 -0.25 -0.45 0.00 -2.04 0.00 0.00 64.34 61.71 3i3d n VAL 728 Cb 0.47 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.58 3i3d n VAL 728 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i3d n THR 729 N -2.02 0.72 -3.01 3.34 -2.24 -1.26 -4.96 114.28 104.85 3i3d n THR 729 Ca -0.07 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 3i3d n THR 729 Cb 0.47 -1.46 -0.06 0.00 -2.10 0.00 0.00 70.33 67.18 3i3d n THR 729 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i3d s LEU 730 N 0.29 4.52 0.29 3.22 1.02 -1.26 -5.02 118.68 121.74 3i3d s LEU 730 Ca 0.71 1.52 -0.30 0.00 0.02 0.00 0.00 54.13 56.08 3i3d s LEU 730 Cb -0.67 -3.23 -0.11 0.00 0.02 0.00 0.00 46.19 42.21 3i3d s LEU 730 CO 0.47 0.13 1.48 -2.84 0.02 0.00 0.00 176.35 175.61 3i3d s PRO 731 N -0.65 4.21 -0.55 1.29 0.02 -1.26 -4.85 135.00 133.21 3i3d s PRO 731 Ca 0.36 2.42 -0.26 0.00 0.02 0.00 0.00 61.00 63.55 3i3d s PRO 731 Cb -0.22 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.17 3i3d s PRO 731 CO 0.24 -0.48 2.38 0.00 -0.33 0.00 0.00 177.00 178.81 3i3d s ALA 732 N -0.31 1.50 -0.48 -1.55 0.00 -1.26 -4.81 121.76 114.86 3i3d s ALA 732 Ca 0.58 -0.16 -0.44 0.00 0.00 0.00 0.00 51.96 51.95 3i3d s ALA 732 Cb -0.44 -4.38 -0.19 0.00 0.00 0.00 0.00 23.12 18.11 3i3d s ALA 732 CO 0.49 -4.68 1.78 0.00 0.00 0.00 0.00 175.76 173.35 3i3d n ALA 733 N 16.22 -0.57 -1.77 0.00 0.00 -1.26 -4.87 120.51 128.25 3i3d n ALA 733 Ca 0.38 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.78 3i3d n ALA 733 Cb 0.53 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 3i3d n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i3d s SER 734 N 4.26 6.17 0.31 0.00 1.04 -1.26 -4.93 113.70 119.29 3i3d s SER 734 Ca 1.08 2.35 0.13 0.00 0.48 0.00 0.00 55.95 59.99 3i3d s SER 734 Cb -1.44 -2.61 0.49 0.00 0.10 0.00 0.00 66.02 62.56 3i3d s SER 734 CO 0.71 -0.92 1.67 0.45 0.98 0.00 0.00 173.24 176.13 3i3d h HIS 735 N 2.12 0.00 -4.04 5.02 3.86 -1.94 -3.45 115.15 116.71 3i3d h HIS 735 Ca -0.49 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.18 3i3d h HIS 735 Cb 1.25 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.83 3i3d h HIS 735 CO 0.53 0.52 0.56 0.00 0.86 0.00 0.00 177.93 180.41 3i3d s ALA 736 N -3.67 2.83 -0.07 2.45 0.00 -1.26 -5.04 121.76 117.00 3i3d s ALA 736 Ca -0.01 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3i3d s ALA 736 Cb 0.12 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3i3d s ALA 736 CO 0.74 -1.16 -0.07 0.42 0.00 0.00 0.00 175.76 175.69 3i3d s ILE 737 N -1.39 0.79 0.69 0.00 1.01 -1.26 -4.00 121.20 117.03 3i3d s ILE 737 Ca 0.70 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.98 3i3d s ILE 737 Cb -0.36 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.33 3i3d s ILE 737 CO 0.43 0.30 1.13 -2.16 0.00 0.00 0.00 174.94 174.64 3i3d s PRO 738 N 1.14 2.55 -0.02 2.79 0.04 -1.26 -4.95 135.00 135.29 3i3d s PRO 738 Ca -0.07 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.49 3i3d s PRO 738 Cb -0.14 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3i3d s PRO 738 CO -0.01 -1.46 -0.20 -1.58 0.04 0.00 0.00 177.00 173.79 3i3d s HIS 739 N -2.31 1.79 -0.19 0.56 2.46 -0.19 -4.81 115.29 112.60 3i3d s HIS 739 Ca 0.68 -0.36 -0.08 0.00 0.47 0.00 0.00 55.06 55.77 3i3d s HIS 739 Cb -0.22 -1.16 -0.04 0.00 -0.13 0.00 0.00 32.58 31.03 3i3d s HIS 739 CO 0.44 -0.05 0.09 -1.17 -2.47 0.00 0.00 174.74 171.58 3i3d s LEU 740 N -0.42 3.98 -0.23 8.88 2.96 -1.26 -0.66 118.68 131.93 3i3d s LEU 740 Ca 0.06 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.12 3i3d s LEU 740 Cb -0.08 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.62 3i3d s LEU 740 CO -0.00 0.18 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.21 3i3d s THR 741 N 0.33 2.54 -0.14 3.68 2.01 0.16 -4.98 115.64 119.24 3i3d s THR 741 Ca 0.05 -1.12 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 3i3d s THR 741 Cb -0.12 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3i3d s THR 741 CO -0.01 0.24 0.06 -0.89 -0.69 0.00 0.00 174.62 173.33 3i3d s THR 742 N 1.27 4.79 0.31 -0.82 2.01 -1.26 -0.93 115.64 121.01 3i3d s THR 742 Ca -0.00 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 61.98 3i3d s THR 742 Cb -0.16 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3i3d s THR 742 CO -0.07 0.54 0.14 -0.94 -0.69 0.00 0.00 174.62 173.61 3i3d s SER 743 N -0.35 1.68 0.22 3.53 1.04 -0.42 -5.03 113.70 114.38 3i3d s SER 743 Ca 0.09 -1.54 -0.09 0.00 0.48 0.00 0.00 55.95 54.89 3i3d s SER 743 Cb -0.12 0.35 0.20 0.00 0.10 0.00 0.00 66.02 66.55 3i3d s SER 743 CO 0.02 -0.86 1.89 -0.33 0.98 0.00 0.00 173.24 174.94 3i3d h GLU 744 N 2.18 1.06 -0.00 4.02 4.39 -2.03 -3.20 114.58 121.00 3i3d h GLU 744 Ca -0.35 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3i3d h GLU 744 Cb 1.25 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3i3d h GLU 744 CO 0.54 0.70 -0.88 -1.33 -1.16 0.00 0.00 179.01 176.88 3i3d n MET 745 N -4.53 0.19 -3.83 2.33 2.81 -1.26 -4.84 117.12 107.99 3i3d n MET 745 Ca 0.09 -0.15 -0.10 0.00 -1.81 0.00 0.00 57.70 55.73 3i3d n MET 745 Cb 0.03 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 30.98 3i3d n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i3d s ASP 746 N -2.92 -0.06 -0.26 7.83 1.01 -1.21 0.13 116.67 121.19 3i3d s ASP 746 Ca 0.10 -0.64 0.02 0.00 0.71 0.00 0.00 52.55 52.74 3i3d s ASP 746 Cb 0.16 0.45 0.07 0.00 1.01 0.00 0.00 42.92 44.62 3i3d s ASP 746 CO 0.81 -0.89 -0.04 -0.36 0.21 0.00 0.00 175.17 174.90 3i3d s PHE 747 N -3.89 2.76 -0.13 4.23 0.08 -0.60 -1.30 117.98 119.13 3i3d s PHE 747 Ca 0.10 -2.08 -0.03 0.00 0.12 0.00 0.00 56.93 55.04 3i3d s PHE 747 Cb 0.02 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3i3d s PHE 747 CO -0.05 -0.83 -0.02 0.00 -0.10 0.00 0.00 175.22 174.21 3i3d s ILE 749 N -0.04 2.53 -0.09 0.00 1.01 -0.15 0.36 121.20 124.82 3i3d s ILE 749 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3i3d s ILE 749 Cb -0.13 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3i3d s ILE 749 CO 0.02 0.36 0.02 -1.61 0.00 0.00 0.00 174.94 173.73 3i3d s GLU 750 N 1.31 3.03 -0.33 2.79 8.01 0.16 -0.95 118.70 132.73 3i3d s GLU 750 Ca 0.02 -0.38 0.02 0.00 0.01 0.00 0.00 54.97 54.65 3i3d s GLU 750 Cb -0.15 -2.84 0.15 0.00 -4.31 0.00 0.00 34.13 26.99 3i3d s GLU 750 CO -0.08 0.71 0.36 -1.17 0.01 0.00 0.00 175.26 175.09 3i3d s LEU 751 N -0.90 -0.29 0.00 1.80 2.96 0.45 -1.02 118.68 121.69 3i3d s LEU 751 Ca 0.13 -1.09 0.00 0.00 -0.22 0.00 0.00 54.13 52.96 3i3d s LEU 751 Cb -0.11 0.68 0.00 0.00 0.50 0.00 0.00 46.19 47.26 3i3d s LEU 751 CO 0.02 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 3i3d n GLY 752 N 4.78 2.87 0.61 7.98 0.00 -1.26 -0.95 105.19 119.22 3i3d n GLY 752 Ca 0.05 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.46 3i3d n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i3d n ASN 753 N 10.40 1.83 -4.47 1.61 0.23 -1.26 -4.91 115.26 118.70 3i3d n ASN 753 Ca 0.00 -1.73 -0.31 0.00 -0.53 0.00 0.00 54.58 52.02 3i3d n ASN 753 Cb 0.00 -0.11 -0.12 0.00 -2.08 0.00 0.00 39.78 37.47 3i3d n ASN 753 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3i3d s LYS 754 N -1.78 2.06 0.00 -3.83 1.02 -0.12 0.01 119.74 117.10 3i3d s LYS 754 Ca 0.33 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.32 3i3d s LYS 754 Cb 0.18 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3i3d s LYS 754 CO 0.27 0.53 -0.01 1.03 -0.92 0.00 0.00 175.35 176.25 3i3d s ARG 755 N -1.57 0.09 -0.05 1.68 0.52 -0.72 -0.41 118.95 118.49 3i3d s ARG 755 Ca 0.15 -0.11 0.04 0.00 -0.52 0.00 0.00 55.73 55.29 3i3d s ARG 755 Cb -0.11 -0.02 -0.00 0.00 0.52 0.00 0.00 34.95 35.34 3i3d s ARG 755 CO 0.06 0.00 -0.17 -1.58 0.02 0.00 0.00 175.30 173.64 3i3d s TRP 756 N -0.24 1.75 -0.15 -0.53 0.51 -0.13 -0.73 118.94 119.43 3i3d s TRP 756 Ca -0.02 -0.53 0.01 0.00 -2.12 0.00 0.00 56.10 53.44 3i3d s TRP 756 Cb -0.02 -1.18 0.02 0.00 -0.81 0.00 0.00 33.47 31.48 3i3d s TRP 756 CO -0.00 -0.19 -0.17 -1.14 -0.51 0.00 0.00 176.95 174.94 3i3d s GLN 757 N 0.11 2.56 -0.29 4.98 0.74 0.60 -0.98 119.66 127.39 3i3d s GLN 757 Ca -0.06 -0.67 -0.04 0.00 0.05 0.00 0.00 55.36 54.65 3i3d s GLN 757 Cb -0.12 -2.25 0.03 0.00 1.10 0.00 0.00 33.01 31.77 3i3d s GLN 757 CO 0.03 -0.18 0.01 -0.06 -0.55 0.00 0.00 175.29 174.53 3i3d s PHE 758 N 1.30 3.16 -0.01 1.67 0.40 -0.59 -0.67 117.98 123.24 3i3d s PHE 758 Ca 0.02 -1.47 -0.30 0.00 -0.60 0.00 0.00 56.93 54.58 3i3d s PHE 758 Cb -0.13 -2.15 -0.06 0.00 0.51 0.00 0.00 43.02 41.19 3i3d s PHE 758 CO -0.09 -0.71 1.56 1.21 0.70 0.00 0.00 175.22 177.88 3i3d s ASN 759 N 1.36 6.72 0.10 1.36 3.84 -0.85 -1.55 114.94 125.92 3i3d s ASN 759 Ca -0.01 2.24 0.24 0.00 0.21 0.00 0.00 52.86 55.53 3i3d s ASN 759 Cb -0.18 -2.55 0.93 0.00 -0.55 0.00 0.00 41.25 38.90 3i3d s ASN 759 CO -0.01 -0.84 1.73 0.54 -2.79 0.00 0.00 177.10 175.73 3i3d n ARG 760 N 6.15 0.10 -0.00 0.43 1.74 0.12 -0.67 116.66 124.53 3i3d n ARG 760 Ca 0.15 0.19 -0.16 0.00 -0.77 0.00 0.00 57.85 57.27 3i3d n ARG 760 Cb 0.42 -1.64 -0.14 0.00 -1.02 0.00 0.00 32.46 30.08 3i3d n ARG 760 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i3d h GLN 761 N 0.00 0.16 0.01 5.56 4.15 -1.90 -3.39 115.11 119.71 3i3d h GLN 761 Ca 0.00 -0.28 -0.33 0.00 0.77 0.00 0.00 58.65 58.81 3i3d h GLN 761 Cb 0.46 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 3i3d h GLN 761 CO 0.00 0.93 -2.01 -1.13 -1.93 0.00 0.00 178.83 174.68 3i3d n SER 762 N -3.31 0.76 0.00 -0.69 3.41 -1.22 -4.80 113.62 107.77 3i3d n SER 762 Ca -0.25 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3i3d n SER 762 Cb 1.05 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 3i3d n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3d n GLY 763 N 1.70 0.54 3.44 5.00 0.00 0.16 -4.71 105.19 111.33 3i3d n GLY 763 Ca -0.25 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 3i3d n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3d s PHE 764 N -2.00 2.35 -0.42 1.61 0.40 -1.23 -4.92 117.98 113.76 3i3d s PHE 764 Ca 0.00 -0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 55.71 3i3d s PHE 764 Cb 0.00 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 3i3d s PHE 764 CO 0.00 0.49 1.75 -1.17 0.70 0.00 0.00 175.22 176.98 3i3d s LEU 765 N -2.63 3.46 0.11 -0.37 2.96 -1.26 -2.01 118.68 118.95 3i3d s LEU 765 Ca 0.21 0.96 0.23 0.00 -0.22 0.00 0.00 54.13 55.30 3i3d s LEU 765 Cb -0.08 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 3i3d s LEU 765 CO 0.10 -1.84 0.96 -1.54 -1.32 0.00 0.00 176.35 172.72 3i3d n SER 766 N 10.68 0.62 -3.52 3.68 3.41 0.15 -1.50 113.62 127.14 3i3d n SER 766 Ca 0.21 0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3i3d n SER 766 Cb 0.48 0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 65.18 3i3d n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i3d s GLN 767 N -3.33 0.91 0.01 4.33 2.00 -1.14 -4.45 119.66 117.99 3i3d s GLN 767 Ca -0.00 0.03 -0.02 0.00 -2.00 0.00 0.00 55.36 53.37 3i3d s GLN 767 Cb 0.12 0.43 -0.01 0.00 0.80 0.00 0.00 33.01 34.34 3i3d s GLN 767 CO 0.81 -0.32 0.01 -1.64 -0.50 0.00 0.00 175.29 173.65 3i3d s MET 768 N -1.83 0.33 0.01 1.67 -1.94 -1.26 -0.29 119.30 115.98 3i3d s MET 768 Ca -0.04 -0.52 0.03 0.00 -1.71 0.00 0.00 55.69 53.45 3i3d s MET 768 Cb -0.00 0.13 -0.01 0.00 2.01 0.00 0.00 34.83 36.95 3i3d s MET 768 CO 0.01 -0.06 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.28 3i3d s TRP 769 N -1.35 0.91 -0.50 -0.03 0.51 0.09 -0.78 118.94 117.79 3i3d s TRP 769 Ca -0.15 -0.23 0.03 0.00 -2.12 0.00 0.00 56.10 53.64 3i3d s TRP 769 Cb -0.09 -0.57 0.15 0.00 -0.81 0.00 0.00 33.47 32.15 3i3d s TRP 769 CO -0.00 -0.01 0.33 0.42 -0.51 0.00 0.00 176.95 177.17 3i3d s ILE 770 N -0.45 1.60 0.00 2.03 1.01 -0.86 -1.76 121.20 122.77 3i3d s ILE 770 Ca 0.02 -3.05 0.00 0.00 0.00 0.00 0.00 60.65 57.62 3i3d s ILE 770 Cb -0.05 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3i3d s ILE 770 CO 0.00 -0.99 0.00 0.61 0.00 0.00 0.00 174.94 174.56 3i3d n GLY 771 N 2.97 1.12 0.59 6.18 0.00 0.10 -3.61 105.19 112.55 3i3d n GLY 771 Ca 0.16 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.19 3i3d n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3d n ASP 772 N 1.79 2.57 -4.73 1.61 8.00 -1.26 -4.91 116.55 119.62 3i3d n ASP 772 Ca 0.00 -1.79 -0.38 0.00 0.71 0.00 0.00 54.79 53.33 3i3d n ASP 772 Cb 0.00 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 3i3d n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3i3d s LYS 773 N -0.99 4.31 0.27 -1.24 -0.14 -1.24 -5.07 119.74 115.64 3i3d s LYS 773 Ca 0.20 0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 54.98 3i3d s LYS 773 Cb 0.12 -3.42 -0.09 0.00 -1.68 0.00 0.00 37.83 32.75 3i3d s LYS 773 CO 0.16 0.20 0.98 0.15 -0.76 0.00 0.00 175.35 176.08 3i3d s LYS 774 N 0.48 4.74 -0.02 1.68 1.02 -1.26 -2.04 119.74 124.35 3i3d s LYS 774 Ca 0.26 1.54 0.16 0.00 0.02 0.00 0.00 55.97 57.95 3i3d s LYS 774 Cb -0.15 -3.16 -0.25 0.00 -0.52 0.00 0.00 37.83 33.74 3i3d s LYS 774 CO 0.11 0.39 0.38 1.04 -0.92 0.00 0.00 175.35 176.35 3i3d n GLN 775 N 1.23 0.57 -4.30 1.68 1.13 0.04 -4.77 117.38 112.96 3i3d n GLN 775 Ca -0.01 -0.14 -0.28 0.00 -1.94 0.00 0.00 57.00 54.63 3i3d n GLN 775 Cb 0.47 -1.38 -0.10 0.00 0.11 0.00 0.00 30.24 29.34 3i3d n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3d s LEU 776 N -4.05 2.87 -0.02 1.08 1.43 -1.26 -1.12 118.68 117.61 3i3d s LEU 776 Ca -0.05 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 3i3d s LEU 776 Cb 0.11 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 3i3d s LEU 776 CO 0.68 0.13 0.05 0.18 0.23 0.00 0.00 176.35 177.62 3i3d n LEU 777 N 0.29 0.00 -3.95 1.79 4.77 0.16 -4.61 117.00 115.45 3i3d n LEU 777 Ca -0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 3i3d n LEU 777 Cb 0.55 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 3i3d n LEU 777 CO 0.33 0.05 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.16 3i3d s THR 778 N -2.18 0.36 0.70 -5.08 2.01 -1.10 -4.94 115.64 105.41 3i3d s THR 778 Ca -0.02 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 3i3d s THR 778 Cb 0.02 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.23 3i3d s THR 778 CO 0.16 0.05 1.21 -2.65 -0.69 0.00 0.00 174.62 172.71 3i3d n PRO 779 N 2.83 0.75 -2.56 4.92 -0.02 -1.26 -3.61 135.00 136.04 3i3d n PRO 779 Ca -0.14 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 3i3d n PRO 779 Cb 0.58 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3i3d n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i3d s LEU 780 N -4.48 3.70 0.27 2.45 2.96 -0.56 -4.52 118.68 118.49 3i3d s LEU 780 Ca 0.79 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 55.42 3i3d s LEU 780 Cb -0.35 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.74 3i3d s LEU 780 CO 0.45 -1.20 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.12 3i3d s ARG 781 N 4.36 1.49 0.51 1.98 0.52 -0.68 -4.14 118.95 122.99 3i3d s ARG 781 Ca 0.50 -1.76 -0.19 0.00 -0.52 0.00 0.00 55.73 53.76 3i3d s ARG 781 Cb -0.10 -0.94 -0.07 0.00 0.52 0.00 0.00 34.95 34.36 3i3d s ARG 781 CO 0.28 -0.03 1.03 -0.51 0.02 0.00 0.00 175.30 176.09 3i3d s ASP 782 N -3.40 6.27 -0.02 0.23 1.11 -1.26 -0.89 116.67 118.71 3i3d s ASP 782 Ca 0.30 1.85 -0.00 0.00 0.18 0.00 0.00 52.55 54.88 3i3d s ASP 782 Cb 0.05 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.51 3i3d s ASP 782 CO 0.11 -0.83 0.02 -1.58 1.18 0.00 0.00 175.17 174.07 3i3d s GLN 783 N -3.51 -0.02 0.00 8.23 0.74 -0.27 -4.81 119.66 120.02 3i3d s GLN 783 Ca 0.65 0.14 0.00 0.00 0.05 0.00 0.00 55.36 56.20 3i3d s GLN 783 Cb -0.15 -0.17 0.00 0.00 1.10 0.00 0.00 33.01 33.79 3i3d s GLN 783 CO 0.25 -0.12 0.87 1.19 -0.55 0.00 0.00 175.29 176.93 3i3d n PHE 784 N 3.85 0.00 -4.45 1.67 3.01 -1.26 -2.44 117.46 117.84 3i3d n PHE 784 Ca -0.23 -0.37 -0.22 0.00 1.01 0.00 0.00 57.45 57.64 3i3d n PHE 784 Cb 0.53 -0.04 -0.11 0.00 -0.01 0.00 0.00 39.48 39.86 3i3d n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3i3d s THR 785 N -0.74 1.36 0.01 4.37 -4.23 -1.26 -2.87 115.64 112.28 3i3d s THR 785 Ca 0.00 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 3i3d s THR 785 Cb 0.00 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 3i3d s THR 785 CO 0.00 -0.10 0.13 0.00 -0.54 0.00 0.00 174.62 174.11 3i3d s ARG 786 N -3.83 0.52 -0.08 3.99 1.70 -1.26 -4.74 118.95 115.25 3i3d s ARG 786 Ca 0.34 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.81 3i3d s ARG 786 Cb 0.07 0.21 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 3i3d s ARG 786 CO 0.14 -0.13 1.86 0.00 -1.08 0.00 0.00 175.30 176.10 3i3d s ALA 787 N -1.74 3.39 0.15 7.88 0.00 -1.26 -4.85 121.76 125.33 3i3d s ALA 787 Ca -0.12 0.97 -0.34 0.00 0.00 0.00 0.00 51.96 52.47 3i3d s ALA 787 Cb -0.06 -3.86 -0.15 0.00 0.00 0.00 0.00 23.12 19.05 3i3d s ALA 787 CO -0.00 -1.80 1.40 -0.35 0.00 0.00 0.00 175.76 175.01 3i3d n PRO 788 N 7.66 1.63 -2.11 0.00 -0.04 -1.26 -1.09 135.00 139.78 3i3d n PRO 788 Ca 0.21 0.58 -0.27 0.00 -0.04 0.00 0.00 63.50 63.98 3i3d n PRO 788 Cb 0.43 -2.25 0.07 0.00 -0.04 0.00 0.00 33.50 31.71 3i3d n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i3d s LEU 789 N 0.59 2.75 0.27 1.53 1.43 -1.26 -4.61 118.68 119.37 3i3d s LEU 789 Ca 0.78 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.45 3i3d s LEU 789 Cb -0.80 -3.21 0.46 0.00 0.03 0.00 0.00 46.19 42.67 3i3d s LEU 789 CO 0.45 -1.65 1.84 0.44 0.23 0.00 0.00 176.35 177.67 3i3d h ASP 790 N -0.71 0.89 0.63 2.29 5.19 -1.86 -0.75 116.42 122.10 3i3d h ASP 790 Ca -0.45 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 55.94 3i3d h ASP 790 Cb 1.31 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 3i3d h ASP 790 CO 0.62 0.52 -0.26 0.78 -3.12 0.00 0.00 179.24 177.78 3i3d h ASN 791 N 1.00 0.00 0.82 6.45 2.35 -1.85 -1.09 115.58 123.27 3i3d h ASN 791 Ca 0.45 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.03 3i3d h ASN 791 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3i3d h ASN 791 CO -0.23 0.26 -0.80 0.44 -1.65 0.00 0.00 177.43 175.46 3i3d h ASP 792 N 0.00 0.00 0.18 5.81 3.32 -1.46 -3.34 116.42 120.93 3i3d h ASP 792 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3i3d h ASP 792 Cb 0.65 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.21 3i3d h ASP 792 CO 0.03 0.80 -1.67 0.40 -1.72 0.00 0.00 179.24 177.08 3i3d h ILE 793 N 0.00 0.98 0.00 0.35 2.04 -1.10 -0.11 117.51 119.67 3i3d h ILE 793 Ca -0.01 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.35 3i3d h ILE 793 Cb 1.43 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 3i3d h ILE 793 CO 0.10 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.70 3i3d n GLY 794 N 1.83 2.82 1.32 5.37 0.00 -0.44 -2.12 105.19 113.98 3i3d n GLY 794 Ca -0.24 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.58 3i3d n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i3d n VAL 795 N 0.00 0.89 -1.92 1.61 0.24 -1.26 -4.85 118.33 113.04 3i3d n VAL 795 Ca 0.00 -0.94 -0.41 0.00 -2.04 0.00 0.00 64.34 60.95 3i3d n VAL 795 Cb 0.00 0.59 -0.01 0.00 -1.47 0.00 0.00 33.84 32.94 3i3d n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i3d s SER 796 N -1.09 6.52 0.06 -1.34 0.15 -0.90 -4.83 113.70 112.26 3i3d s SER 796 Ca 0.47 2.89 -0.01 0.00 0.70 0.00 0.00 55.95 60.00 3i3d s SER 796 Cb 0.25 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 3i3d s SER 796 CO 0.33 -0.75 -0.01 -1.61 1.20 0.00 0.00 173.24 172.40 3i3d s GLU 797 N -1.76 0.66 0.29 5.44 2.02 0.16 -4.91 118.70 120.61 3i3d s GLU 797 Ca 0.53 -1.24 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 3i3d s GLU 797 Cb -0.44 0.22 0.43 0.00 0.10 0.00 0.00 34.13 34.44 3i3d s GLU 797 CO 0.57 -0.13 1.93 0.00 0.02 0.00 0.00 175.26 177.65 3i3d h ALA 798 N 3.10 1.35 0.00 5.21 0.00 -2.00 -1.31 119.26 125.62 3i3d h ALA 798 Ca -0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i3d h ALA 798 Cb 1.15 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i3d h ALA 798 CO 0.65 0.55 -0.32 1.79 0.00 0.00 0.00 179.25 181.91 3i3d h THR 799 N 1.04 0.00 -2.22 0.00 1.35 -2.00 -3.40 112.91 107.68 3i3d h THR 799 Ca 0.27 -0.75 -0.49 0.00 -0.55 0.00 0.00 66.41 64.89 3i3d h THR 799 Cb -0.02 1.56 -0.35 0.00 -1.73 0.00 0.00 68.15 67.62 3i3d h THR 799 CO -0.05 0.00 -0.81 -0.13 -0.25 0.00 0.00 175.52 174.28 3i3d s ARG 800 N -3.20 0.70 0.21 4.72 0.52 -0.59 -5.13 118.95 116.17 3i3d s ARG 800 Ca 0.06 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 53.60 3i3d s ARG 800 Cb 0.10 -1.07 -0.08 0.00 0.52 0.00 0.00 34.95 34.42 3i3d s ARG 800 CO 0.68 -1.26 1.07 0.42 0.02 0.00 0.00 175.30 176.23 3i3d s ILE 801 N 0.90 3.85 -0.65 1.52 1.01 -0.61 0.40 121.20 127.62 3i3d s ILE 801 Ca 0.22 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.48 3i3d s ILE 801 Cb -0.12 -4.07 0.17 0.00 0.01 0.00 0.00 42.46 38.44 3i3d s ILE 801 CO -0.06 0.33 0.52 -0.62 0.00 0.00 0.00 174.94 175.11 3i3d s ASP 802 N -0.44 5.83 0.65 3.58 -1.08 -1.26 -4.87 116.67 119.08 3i3d s ASP 802 Ca 0.47 -2.56 0.26 0.00 -0.52 0.00 0.00 52.55 50.20 3i3d s ASP 802 Cb -0.29 -2.00 1.41 0.00 -1.46 0.00 0.00 42.92 40.57 3i3d s ASP 802 CO 0.36 -0.52 1.80 1.55 0.52 0.00 0.00 175.17 178.88 3i3d h PRO 803 N 7.63 0.00 0.00 4.34 0.13 -1.95 -0.77 132.00 141.39 3i3d h PRO 803 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3i3d h PRO 803 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i3d h PRO 803 CO 0.76 0.00 -0.57 -0.97 -0.23 0.00 0.00 178.00 177.00 3i3d h ASN 804 N 0.00 0.00 -3.96 1.44 -1.24 -1.95 -3.37 115.58 106.50 3i3d h ASN 804 Ca 0.03 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.51 3i3d h ASN 804 Cb 0.92 0.00 0.09 0.00 0.73 0.00 0.00 38.32 40.06 3i3d h ASN 804 CO -0.00 0.08 0.64 0.00 -1.29 0.00 0.00 177.43 176.86 3i3d s ALA 805 N -3.23 3.25 0.20 1.57 0.00 -0.30 -4.73 121.76 118.52 3i3d s ALA 805 Ca 0.03 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 3i3d s ALA 805 Cb 0.07 -3.52 0.21 0.00 0.00 0.00 0.00 23.12 19.88 3i3d s ALA 805 CO 0.74 -0.94 1.65 -1.49 0.00 0.00 0.00 175.76 175.72 3i3d h TRP 806 N 2.56 -0.23 -0.98 0.00 4.06 -1.81 -1.32 115.95 118.25 3i3d h TRP 806 Ca -0.50 0.05 0.09 0.00 2.06 0.00 0.00 58.89 60.59 3i3d h TRP 806 Cb 1.25 0.19 -0.08 0.00 -1.00 0.00 0.00 29.16 29.52 3i3d h TRP 806 CO 0.52 -0.22 0.62 -0.24 -3.56 0.00 0.00 178.44 175.56 3i3d h VAL 807 N 0.03 0.99 -0.13 1.49 3.04 -1.36 -0.80 116.25 119.51 3i3d h VAL 807 Ca 0.27 -0.36 -0.14 0.00 -1.01 0.00 0.00 66.70 65.47 3i3d h VAL 807 Cb 0.43 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.55 3i3d h VAL 807 CO -0.55 0.19 -0.51 -0.33 -1.01 0.00 0.00 177.57 175.36 3i3d h GLU 808 N 1.05 0.36 -0.36 4.17 4.39 -1.53 -0.91 114.58 121.75 3i3d h GLU 808 Ca 0.46 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 3i3d h GLU 808 Cb 0.33 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3i3d h GLU 808 CO -0.22 0.79 -0.19 0.00 -1.16 0.00 0.00 179.01 178.23 3i3d h ARG 809 N 0.28 0.76 -0.54 2.33 3.08 -0.46 -0.50 114.38 119.35 3i3d h ARG 809 Ca 0.01 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 3i3d h ARG 809 Cb 1.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 3i3d h ARG 809 CO 0.09 0.96 0.21 -1.49 -1.07 0.00 0.00 179.97 178.66 3i3d h TRP 810 N 0.55 0.83 -0.01 3.04 6.55 -1.05 -0.44 115.95 125.42 3i3d h TRP 810 Ca 0.08 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 3i3d h TRP 810 Cb 0.74 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.79 3i3d h TRP 810 CO 0.06 0.68 0.01 0.87 -1.05 0.00 0.00 178.44 179.01 3i3d h LYS 811 N 0.73 0.02 0.00 0.49 1.57 -1.05 -0.77 116.57 117.56 3i3d h LYS 811 Ca 0.18 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3i3d h LYS 811 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3i3d h LYS 811 CO -0.01 0.07 -0.19 0.00 -0.57 0.00 0.00 179.45 178.75 3i3d h ALA 812 N 0.95 1.36 -0.00 3.86 0.00 -0.93 -1.41 119.26 123.09 3i3d h ALA 812 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i3d h ALA 812 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i3d h ALA 812 CO -0.00 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 3i3d n ALA 813 N -2.35 2.53 -0.82 0.00 0.00 -0.19 -4.91 120.51 114.77 3i3d n ALA 813 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i3d n ALA 813 Cb 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3i3d n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3d n GLY 814 N 1.46 0.55 0.33 0.00 0.00 -0.53 -4.85 105.19 102.16 3i3d n GLY 814 Ca 0.08 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.73 3i3d n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i3d h HIS 815 N 0.00 1.02 0.00 1.61 3.86 -1.36 0.43 115.15 120.71 3i3d h HIS 815 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3i3d h HIS 815 Cb 0.00 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.14 3i3d h HIS 815 CO 0.00 0.49 -0.03 1.88 0.86 0.00 0.00 177.93 181.13 3i3d h TYR 816 N 0.98 0.00 -0.01 2.45 -1.99 -1.87 -3.27 116.97 113.27 3i3d h TYR 816 Ca 0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.13 3i3d h TYR 816 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3i3d h TYR 816 CO -0.03 0.00 -0.46 1.04 -0.00 0.00 0.00 178.16 178.71 3i3d n GLN 817 N -2.36 1.93 -1.57 4.88 1.13 -0.59 -5.03 117.38 115.76 3i3d n GLN 817 Ca 0.05 -0.47 -0.50 0.00 -1.94 0.00 0.00 57.00 54.14 3i3d n GLN 817 Cb 0.44 -1.22 -0.05 0.00 0.11 0.00 0.00 30.24 29.52 3i3d n GLN 817 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i3d n ALA 818 N -0.61 -1.02 -2.81 -1.58 0.00 0.14 -4.98 120.51 109.64 3i3d n ALA 818 Ca 0.05 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 3i3d n ALA 818 Cb 0.28 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 3i3d n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3d s GLU 819 N -0.17 3.48 -0.16 0.00 2.02 -1.07 -4.91 118.70 117.89 3i3d s GLU 819 Ca 0.76 -0.42 -0.28 0.00 0.02 0.00 0.00 54.97 55.05 3i3d s GLU 819 Cb -0.90 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 3i3d s GLU 819 CO 0.51 0.44 0.97 0.00 0.02 0.00 0.00 175.26 177.20 3i3d s ALA 820 N -0.15 3.51 -0.27 5.21 0.00 -1.26 -2.41 121.76 126.39 3i3d s ALA 820 Ca 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3i3d s ALA 820 Cb -0.13 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3i3d s ALA 820 CO 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.05 3i3d s ALA 821 N 2.36 2.85 0.07 0.00 0.00 0.11 -4.91 121.76 122.25 3i3d s ALA 821 Ca 0.44 -1.51 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 3i3d s ALA 821 Cb -0.17 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 3i3d s ALA 821 CO 0.13 -0.93 1.72 -1.17 0.00 0.00 0.00 175.76 175.52 3i3d s LEU 822 N 1.38 4.38 -0.15 0.00 2.96 -1.26 -0.55 118.68 125.43 3i3d s LEU 822 Ca 0.00 2.55 0.14 0.00 -0.22 0.00 0.00 54.13 56.61 3i3d s LEU 822 Cb -0.17 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.76 3i3d s LEU 822 CO -0.01 -0.93 0.07 0.18 -1.32 0.00 0.00 176.35 174.34 3i3d n LEU 823 N 5.86 0.00 -3.58 -0.68 4.77 0.21 -4.93 117.00 118.65 3i3d n LEU 823 Ca 0.17 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 3i3d n LEU 823 Cb 0.40 0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.80 3i3d n LEU 823 CO 0.64 0.37 0.43 -1.58 -1.33 0.00 0.00 177.39 175.92 3i3d s GLN 824 N -2.43 0.94 -0.29 3.23 0.74 -0.93 -4.92 119.66 115.99 3i3d s GLN 824 Ca -0.08 0.67 0.03 0.00 0.05 0.00 0.00 55.36 56.03 3i3d s GLN 824 Cb 0.05 0.45 0.19 0.00 1.10 0.00 0.00 33.01 34.80 3i3d s GLN 824 CO 0.66 -0.20 0.56 0.00 -0.55 0.00 0.00 175.29 175.75 3i3d s THR 826 N 2.78 1.31 -0.04 0.00 -4.23 -0.22 -4.99 115.64 110.25 3i3d s THR 826 Ca 0.13 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3i3d s THR 826 Cb -0.12 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3i3d s THR 826 CO -0.25 -0.36 -0.04 0.00 -0.54 0.00 0.00 174.62 173.43 3i3d s ALA 827 N -3.24 0.65 0.07 3.99 0.00 -1.26 -1.43 121.76 120.54 3i3d s ALA 827 Ca 0.28 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.26 3i3d s ALA 827 Cb 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3i3d s ALA 827 CO 0.09 -0.02 -0.19 -0.51 0.00 0.00 0.00 175.76 175.13 3i3d s ASP 828 N 0.91 2.31 -0.23 0.00 1.01 0.34 -4.99 116.67 116.02 3i3d s ASP 828 Ca -0.11 -0.59 -0.08 0.00 0.71 0.00 0.00 52.55 52.48 3i3d s ASP 828 Cb -0.14 -0.15 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 3i3d s ASP 828 CO 0.00 0.08 0.08 -0.89 0.21 0.00 0.00 175.17 174.65 3i3d s THR 829 N -1.00 4.54 0.53 -1.27 2.01 -1.26 -0.42 115.64 118.75 3i3d s THR 829 Ca 0.05 -0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.04 3i3d s THR 829 Cb -0.09 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.38 3i3d s THR 829 CO 0.03 0.37 0.72 -0.76 -0.69 0.00 0.00 174.62 174.29 3i3d s LEU 830 N 1.26 3.30 0.51 4.42 1.43 0.12 -4.98 118.68 124.72 3i3d s LEU 830 Ca 0.05 -0.67 0.23 0.00 -1.03 0.00 0.00 54.13 52.71 3i3d s LEU 830 Cb -0.14 -2.02 1.34 0.00 0.03 0.00 0.00 46.19 45.39 3i3d s LEU 830 CO 0.04 -1.15 2.07 0.00 0.23 0.00 0.00 176.35 177.53 3i3d h ALA 831 N 0.31 1.47 0.00 4.21 0.00 -2.02 -3.28 119.26 119.95 3i3d h ALA 831 Ca -0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i3d h ALA 831 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i3d h ALA 831 CO 0.42 0.16 -0.37 -0.40 0.00 0.00 0.00 179.25 179.06 3i3d n ASP 832 N -3.92 0.00 -3.64 0.00 5.75 -1.26 -5.04 116.55 108.44 3i3d n ASP 832 Ca -0.02 -1.74 -0.06 0.00 -0.01 0.00 0.00 54.79 52.95 3i3d n ASP 832 Cb 0.22 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 3i3d n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3d s ALA 833 N 0.00 -1.68 -0.10 2.12 0.00 -1.24 -3.21 121.76 117.65 3i3d s ALA 833 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 3i3d s ALA 833 Cb 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 3i3d s ALA 833 CO 0.00 -0.89 -0.06 0.08 0.00 0.00 0.00 175.76 174.90 3i3d s VAL 834 N -3.32 3.79 -0.19 0.00 1.01 0.21 0.13 120.40 122.04 3i3d s VAL 834 Ca 0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3i3d s VAL 834 Cb -0.02 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3i3d s VAL 834 CO -0.03 0.57 -0.16 -0.22 0.00 0.00 0.00 175.10 175.26 3i3d s LEU 835 N -0.44 2.34 -0.15 3.92 2.96 0.43 -1.13 118.68 126.61 3i3d s LEU 835 Ca 0.07 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3i3d s LEU 835 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3i3d s LEU 835 CO 0.02 0.00 0.01 -0.63 -1.32 0.00 0.00 176.35 174.43 3i3d s ILE 836 N 1.31 4.31 -0.11 6.68 -1.09 0.51 -0.50 121.20 132.30 3i3d s ILE 836 Ca 0.04 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3i3d s ILE 836 Cb -0.13 -2.89 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 3i3d s ILE 836 CO -0.10 0.51 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.06 3i3d s THR 837 N 0.10 1.66 0.17 2.92 2.01 -0.52 0.38 115.64 122.36 3i3d s THR 837 Ca 0.02 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.32 3i3d s THR 837 Cb -0.13 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 3i3d s THR 837 CO 0.02 0.47 -0.07 0.42 -0.69 0.00 0.00 174.62 174.76 3i3d s THR 838 N 0.88 1.11 -0.17 -0.82 -4.23 -0.31 -1.05 115.64 111.05 3i3d s THR 838 Ca -0.08 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.30 3i3d s THR 838 Cb -0.15 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 71.79 3i3d s THR 838 CO -0.01 -0.64 0.39 0.00 -0.54 0.00 0.00 174.62 173.82 3i3d s ALA 839 N -3.37 -1.00 0.11 3.99 0.00 -0.43 -0.90 121.76 120.17 3i3d s ALA 839 Ca 0.20 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.66 3i3d s ALA 839 Cb 0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3i3d s ALA 839 CO 0.02 -0.46 -0.20 -1.01 0.00 0.00 0.00 175.76 174.11 3i3d s HIS 840 N 1.90 1.79 -0.17 0.00 3.76 0.24 0.64 115.29 123.45 3i3d s HIS 840 Ca -0.06 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 3i3d s HIS 840 Cb -0.10 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.65 3i3d s HIS 840 CO -0.12 0.22 -0.18 0.00 -0.85 0.00 0.00 174.74 173.81 3i3d s ALA 841 N -1.32 2.18 -0.34 -1.40 0.00 0.29 -0.84 121.76 120.33 3i3d s ALA 841 Ca 0.08 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 3i3d s ALA 841 Cb -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3i3d s ALA 841 CO 0.05 -0.35 0.43 -1.58 0.00 0.00 0.00 175.76 174.30 3i3d s TRP 842 N 1.34 3.20 0.22 0.00 0.51 0.68 0.09 118.94 124.98 3i3d s TRP 842 Ca 0.05 0.11 0.09 0.00 -2.12 0.00 0.00 56.10 54.23 3i3d s TRP 842 Cb -0.13 -2.77 -0.05 0.00 -0.81 0.00 0.00 33.47 29.72 3i3d s TRP 842 CO -0.12 -0.45 -0.16 -0.65 -0.51 0.00 0.00 176.95 175.05 3i3d s GLN 843 N 2.18 1.43 -0.28 4.98 -0.21 -1.01 0.57 119.66 127.31 3i3d s GLN 843 Ca 0.15 -1.63 -0.04 0.00 0.02 0.00 0.00 55.36 53.86 3i3d s GLN 843 Cb -0.16 -1.33 0.10 0.00 1.00 0.00 0.00 33.01 32.62 3i3d s GLN 843 CO 0.12 0.23 0.12 -1.58 -2.12 0.00 0.00 175.29 172.07 3i3d s HIS 844 N -2.77 0.54 -0.77 0.91 5.65 0.93 -2.59 115.29 117.18 3i3d s HIS 844 Ca 0.24 -0.97 -0.01 0.00 0.25 0.00 0.00 55.06 54.56 3i3d s HIS 844 Cb -0.02 -1.01 0.00 0.00 -1.18 0.00 0.00 32.58 30.37 3i3d s HIS 844 CO 0.09 -0.81 0.65 1.04 -0.65 0.00 0.00 174.74 175.06 3i3d n GLN 845 N 5.19 -1.48 0.00 2.88 6.02 -1.26 -2.39 117.38 126.34 3i3d n GLN 845 Ca -0.06 1.14 0.00 0.00 -0.01 0.00 0.00 57.00 58.07 3i3d n GLN 845 Cb 0.43 -3.91 0.00 0.00 1.02 0.00 0.00 30.24 27.77 3i3d n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3d n GLY 846 N -1.63 2.74 3.64 1.08 0.00 -1.26 -4.98 105.19 104.77 3i3d n GLY 846 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3i3d n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3d s LYS 847 N 0.00 4.07 -0.39 1.61 2.47 -1.01 -5.05 119.74 121.45 3i3d s LYS 847 Ca 0.00 -0.07 -0.26 0.00 -1.56 0.00 0.00 55.97 54.09 3i3d s LYS 847 Cb 0.00 -3.58 0.02 0.00 -1.46 0.00 0.00 37.83 32.81 3i3d s LYS 847 CO 0.00 -0.08 0.92 0.99 0.16 0.00 0.00 175.35 177.34 3i3d s THR 848 N 1.45 4.56 -0.15 3.43 2.01 -1.26 -0.05 115.64 125.63 3i3d s THR 848 Ca 0.13 1.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.94 3i3d s THR 848 Cb -0.15 -4.35 -0.24 0.00 0.01 0.00 0.00 72.50 67.77 3i3d s THR 848 CO 0.08 -0.61 0.53 -0.07 -0.69 0.00 0.00 174.62 173.85 3i3d h LEU 849 N 10.19 0.11 -8.14 4.42 3.38 -0.23 -3.42 115.31 121.61 3i3d h LEU 849 Ca -0.24 -0.79 -0.14 0.00 0.09 0.00 0.00 57.88 56.80 3i3d h LEU 849 Cb 1.08 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.62 3i3d h LEU 849 CO 0.99 1.34 -0.69 -0.36 0.09 0.00 0.00 178.44 179.81 3i3d s PHE 850 N -2.34 0.43 -0.06 1.13 0.08 -1.08 -1.71 117.98 114.43 3i3d s PHE 850 Ca -0.22 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 55.98 3i3d s PHE 850 Cb 0.02 -0.32 0.02 0.00 -0.57 0.00 0.00 43.02 42.18 3i3d s PHE 850 CO 0.68 -0.30 -0.04 0.42 -0.10 0.00 0.00 175.22 175.88 3i3d s ILE 851 N -2.93 0.59 -0.21 0.64 1.01 -0.78 -0.23 121.20 119.29 3i3d s ILE 851 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3i3d s ILE 851 Cb 0.01 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.85 3i3d s ILE 851 CO -0.06 0.26 -0.09 -0.55 0.00 0.00 0.00 174.94 174.50 3i3d s SER 852 N 1.23 3.97 -0.20 3.58 0.15 -0.02 -1.46 113.70 120.94 3i3d s SER 852 Ca -0.06 -0.49 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 3i3d s SER 852 Cb -0.14 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 3i3d s SER 852 CO -0.02 -0.02 -0.06 -0.13 1.20 0.00 0.00 173.24 174.21 3i3d s ARG 853 N 1.42 3.39 0.19 5.44 0.52 -0.30 -0.59 118.95 129.02 3i3d s ARG 853 Ca 0.05 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 3i3d s ARG 853 Cb -0.14 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 3i3d s ARG 853 CO -0.06 -0.12 -0.07 0.15 0.02 0.00 0.00 175.30 175.22 3i3d s LYS 854 N 1.26 1.23 -0.01 3.54 1.02 -0.08 -1.24 119.74 125.47 3i3d s LYS 854 Ca 0.03 -1.57 -0.00 0.00 0.02 0.00 0.00 55.97 54.45 3i3d s LYS 854 Cb -0.14 -0.73 0.01 0.00 -0.52 0.00 0.00 37.83 36.44 3i3d s LYS 854 CO -0.02 0.03 0.01 0.95 -0.92 0.00 0.00 175.35 175.40 3i3d s THR 855 N -3.28 -0.02 -0.18 2.17 -4.23 -0.86 -1.17 115.64 108.07 3i3d s THR 855 Ca 0.22 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 3i3d s THR 855 Cb 0.03 -0.03 0.02 0.00 1.34 0.00 0.00 72.50 73.87 3i3d s THR 855 CO 0.05 0.03 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.67 3i3d s TYR 856 N 0.31 2.68 -0.29 3.99 1.51 0.16 -1.47 117.35 124.24 3i3d s TYR 856 Ca -0.03 -1.61 -0.02 0.00 -1.01 0.00 0.00 57.07 54.40 3i3d s TYR 856 Cb -0.04 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 3i3d s TYR 856 CO -0.01 -0.79 -0.01 0.50 -1.11 0.00 0.00 175.55 174.13 3i3d s ARG 857 N 1.32 2.52 -0.28 -0.62 3.52 0.24 -0.36 118.95 125.29 3i3d s ARG 857 Ca 0.04 -1.20 -0.08 0.00 -0.13 0.00 0.00 55.73 54.36 3i3d s ARG 857 Cb -0.14 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 3i3d s ARG 857 CO -0.12 -0.57 0.10 0.42 -0.81 0.00 0.00 175.30 174.32 3i3d s ILE 858 N 1.27 4.29 0.26 4.11 1.01 -0.29 -1.09 121.20 130.76 3i3d s ILE 858 Ca -0.04 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.24 3i3d s ILE 858 Cb -0.19 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.19 3i3d s ILE 858 CO -0.02 0.18 0.31 -0.90 0.00 0.00 0.00 174.94 174.51 3i3d n ASP 859 N 4.92 1.23 0.27 3.58 5.68 -1.13 -0.62 116.55 130.49 3i3d n ASP 859 Ca -0.15 -1.75 0.14 0.00 -0.50 0.00 0.00 54.79 52.53 3i3d n ASP 859 Cb 0.50 -0.14 0.78 0.00 -1.14 0.00 0.00 41.12 41.12 3i3d n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3i3d h GLY 860 N 0.13 0.00 0.81 6.12 0.00 -1.68 -2.30 103.07 106.15 3i3d h GLY 860 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3i3d h GLY 860 CO 0.20 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.60 3i3d n SER 861 N -3.57 0.00 0.00 0.19 3.41 -1.26 -4.77 113.62 107.62 3i3d n SER 861 Ca -0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3i3d n SER 861 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3i3d n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3d n GLY 862 N 0.56 1.02 3.77 5.00 0.00 -0.86 -5.00 105.19 109.68 3i3d n GLY 862 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3i3d n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3d s GLN 863 N -0.08 4.62 -0.28 1.61 -0.21 -1.26 -4.68 119.66 119.38 3i3d s GLN 863 Ca 0.00 1.28 -0.01 0.00 0.02 0.00 0.00 55.36 56.64 3i3d s GLN 863 Cb 0.00 -3.08 0.04 0.00 1.00 0.00 0.00 33.01 30.98 3i3d s GLN 863 CO 0.00 0.44 -0.03 1.41 -2.12 0.00 0.00 175.29 175.00 3i3d s MET 864 N -1.54 2.51 -0.21 2.91 -2.45 0.62 -2.83 119.30 118.30 3i3d s MET 864 Ca 0.43 -1.20 -0.19 0.00 -1.25 0.00 0.00 55.69 53.48 3i3d s MET 864 Cb -0.22 -3.11 -0.03 0.00 1.25 0.00 0.00 34.83 32.73 3i3d s MET 864 CO 0.27 -0.56 0.53 0.00 1.05 0.00 0.00 175.02 176.30 3i3d s ALA 865 N 1.26 3.55 -0.14 4.11 0.00 -0.25 -0.29 121.76 130.00 3i3d s ALA 865 Ca -0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3i3d s ALA 865 Cb -0.19 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3i3d s ALA 865 CO -0.02 -0.50 -0.12 0.42 0.00 0.00 0.00 175.76 175.54 3i3d s ILE 866 N 1.77 3.11 -0.13 0.00 1.01 0.26 -0.59 121.20 126.63 3i3d s ILE 866 Ca 0.24 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3i3d s ILE 866 Cb -0.15 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3i3d s ILE 866 CO 0.10 0.51 -0.16 -0.89 0.00 0.00 0.00 174.94 174.50 3i3d s THR 867 N 0.47 2.77 -0.07 2.92 2.01 -0.54 -0.51 115.64 122.69 3i3d s THR 867 Ca -0.09 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3i3d s THR 867 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.22 3i3d s THR 867 CO 0.04 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 3i3d s VAL 868 N 0.41 1.34 -0.14 3.82 1.01 -0.40 -2.04 120.40 124.41 3i3d s VAL 868 Ca -0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3i3d s VAL 868 Cb -0.16 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.05 3i3d s VAL 868 CO 0.06 0.40 -0.04 -1.81 0.00 0.00 0.00 175.10 173.71 3i3d s ASP 869 N 0.60 2.44 0.02 3.32 1.01 -0.37 -1.72 116.67 121.96 3i3d s ASP 869 Ca -0.15 -0.48 0.06 0.00 0.71 0.00 0.00 52.55 52.69 3i3d s ASP 869 Cb -0.16 -0.77 -0.03 0.00 1.01 0.00 0.00 42.92 42.96 3i3d s ASP 869 CO 0.05 -0.18 -0.17 -0.69 0.21 0.00 0.00 175.17 174.39 3i3d s VAL 870 N 1.74 2.85 -0.11 -1.27 1.01 0.24 -1.15 120.40 123.71 3i3d s VAL 870 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3i3d s VAL 870 Cb -0.14 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3i3d s VAL 870 CO -0.07 0.41 -0.12 -1.61 0.00 0.00 0.00 175.10 173.70 3i3d s GLU 871 N -1.24 3.21 -0.16 2.72 2.02 -0.53 -0.67 118.70 124.04 3i3d s GLU 871 Ca 0.14 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.48 3i3d s GLU 871 Cb -0.11 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.53 3i3d s GLU 871 CO 0.04 0.32 -0.20 0.08 0.02 0.00 0.00 175.26 175.52 3i3d s VAL 872 N 0.08 1.99 0.03 2.63 1.01 0.16 -1.86 120.40 124.43 3i3d s VAL 872 Ca -0.05 -0.91 -0.35 0.00 0.00 0.00 0.00 61.98 60.67 3i3d s VAL 872 Cb -0.14 -1.79 -0.13 0.00 0.00 0.00 0.00 36.38 34.31 3i3d s VAL 872 CO 0.04 0.53 1.69 0.00 0.00 0.00 0.00 175.10 177.36 3i3d n ALA 873 N 4.44 0.85 0.17 5.51 0.00 -0.70 -4.62 120.51 126.16 3i3d n ALA 873 Ca -0.20 0.38 0.16 0.00 0.00 0.00 0.00 53.44 53.78 3i3d n ALA 873 Cb 0.51 -2.38 0.76 0.00 0.00 0.00 0.00 19.45 18.34 3i3d n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i3d h SER 874 N 7.18 0.00 -0.43 0.00 4.64 -1.93 -1.89 113.55 121.13 3i3d h SER 874 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i3d h SER 874 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3i3d h SER 874 CO 0.91 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.97 3i3d n ASP 875 N -4.11 2.41 -4.79 4.97 5.75 -1.26 -4.86 116.55 114.67 3i3d n ASP 875 Ca 0.02 -1.97 -0.32 0.00 -0.01 0.00 0.00 54.79 52.51 3i3d n ASP 875 Cb 0.33 -0.29 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 3i3d n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3i3d s THR 876 N -1.43 4.68 0.36 2.12 -1.32 -0.71 -5.06 115.64 114.29 3i3d s THR 876 Ca 0.31 -0.55 -0.28 0.00 -1.21 0.00 0.00 61.69 59.95 3i3d s THR 876 Cb 0.16 -3.19 -0.11 0.00 -1.51 0.00 0.00 72.50 67.85 3i3d s THR 876 CO 0.22 0.25 1.50 -0.81 -2.21 0.00 0.00 174.62 173.57 3i3d n PRO 877 N 0.85 2.67 -1.65 7.08 -0.04 -1.26 -4.85 135.00 137.80 3i3d n PRO 877 Ca -0.11 0.94 -0.49 0.00 -0.04 0.00 0.00 63.50 63.80 3i3d n PRO 877 Cb 0.52 -2.68 -0.05 0.00 -0.04 0.00 0.00 33.50 31.25 3i3d n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i3d n HIS 878 N 0.71 2.02 -1.79 0.54 8.25 -1.26 -4.92 115.22 118.77 3i3d n HIS 878 Ca 0.02 0.37 -0.35 0.00 -0.26 0.00 0.00 57.72 57.51 3i3d n HIS 878 Cb 0.38 -2.49 0.05 0.00 1.12 0.00 0.00 29.99 29.06 3i3d n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3i3d s PRO 879 N 1.45 2.70 0.40 -0.41 0.04 -1.26 -4.86 135.00 133.07 3i3d s PRO 879 Ca 0.84 1.67 0.17 0.00 0.04 0.00 0.00 61.00 63.72 3i3d s PRO 879 Cb -0.80 -1.91 0.86 0.00 0.04 0.00 0.00 34.50 32.68 3i3d s PRO 879 CO 0.45 -1.38 1.86 0.00 0.04 0.00 0.00 177.00 177.97 3i3d h ALA 880 N 0.32 1.29 -2.81 8.56 0.00 -1.88 -3.40 119.26 121.34 3i3d h ALA 880 Ca -0.49 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.19 3i3d h ALA 880 Cb 1.28 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3i3d h ALA 880 CO 0.53 0.40 0.29 -0.98 0.00 0.00 0.00 179.25 179.50 3i3d s ARG 881 N -4.08 1.36 -0.30 0.00 1.70 -1.22 -0.28 118.95 116.12 3i3d s ARG 881 Ca -0.02 -0.63 -0.03 0.00 -0.47 0.00 0.00 55.73 54.58 3i3d s ARG 881 Cb 0.13 0.54 0.10 0.00 -0.57 0.00 0.00 34.95 35.16 3i3d s ARG 881 CO 0.69 -0.61 0.13 0.42 -1.08 0.00 0.00 175.30 174.85 3i3d s ILE 882 N -3.65 0.20 0.00 4.99 1.01 -0.04 -4.15 121.20 119.56 3i3d s ILE 882 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3i3d s ILE 882 Cb -0.03 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3i3d s ILE 882 CO -0.04 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.76 3i3d n GLY 883 N 5.01 2.73 3.38 6.18 0.00 -1.02 -0.74 105.19 120.73 3i3d n GLY 883 Ca -0.03 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 3i3d n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 884 N 0.00 2.47 0.05 0.99 1.43 0.62 -1.11 118.68 123.13 3i3d s LEU 884 Ca 0.00 -1.14 -0.22 0.00 -1.03 0.00 0.00 54.13 51.75 3i3d s LEU 884 Cb 0.00 -0.59 0.05 0.00 0.03 0.00 0.00 46.19 45.68 3i3d s LEU 884 CO 0.00 -0.31 0.51 0.54 0.23 0.00 0.00 176.35 177.32 3i3d s ASN 885 N -3.38 -0.42 0.03 2.29 4.22 -0.07 -1.35 114.94 116.26 3i3d s ASN 885 Ca 0.27 0.13 -0.27 0.00 -2.14 0.00 0.00 52.86 50.84 3i3d s ASN 885 Cb 0.03 0.49 0.09 0.00 1.28 0.00 0.00 41.25 43.14 3i3d s ASN 885 CO 0.09 -0.73 0.81 0.00 -2.04 0.00 0.00 177.10 175.23 3i3d s GLN 887 N -3.05 3.14 0.26 0.00 0.74 -1.24 -0.94 119.66 118.57 3i3d s GLN 887 Ca 0.03 -0.86 -0.29 0.00 0.05 0.00 0.00 55.36 54.29 3i3d s GLN 887 Cb -0.01 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.34 3i3d s GLN 887 CO -0.08 -0.54 0.94 -0.51 -0.55 0.00 0.00 175.29 174.54 3i3d s LEU 888 N 1.60 4.55 0.29 3.68 1.43 0.19 0.38 118.68 130.79 3i3d s LEU 888 Ca 0.04 1.90 0.11 0.00 -1.03 0.00 0.00 54.13 55.15 3i3d s LEU 888 Cb -0.18 -3.73 0.42 0.00 0.03 0.00 0.00 46.19 42.73 3i3d s LEU 888 CO 0.07 0.09 1.65 0.00 0.23 0.00 0.00 176.35 178.38 3i3d h ALA 889 N 3.83 1.04 -2.61 4.21 0.00 -1.38 0.51 119.26 124.87 3i3d h ALA 889 Ca -0.46 -0.52 -0.50 0.00 0.00 0.00 0.00 54.91 53.43 3i3d h ALA 889 Cb 1.20 -0.09 0.07 0.00 0.00 0.00 0.00 17.79 18.96 3i3d h ALA 889 CO 0.67 0.72 0.44 -1.14 0.00 0.00 0.00 179.25 179.94 3i3d s GLN 890 N -3.70 3.51 -0.34 0.00 2.00 -1.26 -4.17 119.66 115.70 3i3d s GLN 890 Ca -0.01 1.64 -0.01 0.00 -2.00 0.00 0.00 55.36 54.98 3i3d s GLN 890 Cb 0.13 -2.14 0.13 0.00 0.80 0.00 0.00 33.01 31.93 3i3d s GLN 890 CO 0.76 -0.72 0.18 0.08 -0.50 0.00 0.00 175.29 175.09 3i3d s VAL 891 N -1.71 0.32 0.50 1.34 1.01 -1.26 -3.01 120.40 117.58 3i3d s VAL 891 Ca 0.70 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3i3d s VAL 891 Cb -0.25 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.91 3i3d s VAL 891 CO 0.29 -0.89 0.70 0.00 0.00 0.00 0.00 175.10 175.20 3i3d s ALA 892 N 1.27 4.19 -0.04 5.51 0.00 -1.26 -5.05 121.76 126.38 3i3d s ALA 892 Ca 0.15 -1.52 0.13 0.00 0.00 0.00 0.00 51.96 50.72 3i3d s ALA 892 Cb -0.21 -1.86 -0.22 0.00 0.00 0.00 0.00 23.12 20.83 3i3d s ALA 892 CO -0.10 -0.58 0.70 0.93 0.00 0.00 0.00 175.76 176.71 3i3d h GLU 893 N 0.29 0.00 -6.16 0.00 5.08 -2.00 -3.43 114.58 108.36 3i3d h GLU 893 Ca -0.41 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.37 3i3d h GLU 893 Cb 1.29 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 3i3d h GLU 893 CO 0.48 0.49 -0.68 1.03 -1.00 0.00 0.00 179.01 179.33 3i3d s ARG 894 N -2.63 2.01 -0.11 2.33 1.81 -1.26 -1.11 118.95 119.99 3i3d s ARG 894 Ca -0.04 -1.63 -0.02 0.00 -1.72 0.00 0.00 55.73 52.32 3i3d s ARG 894 Cb 0.08 -1.96 0.04 0.00 -0.45 0.00 0.00 34.95 32.66 3i3d s ARG 894 CO 0.82 0.30 0.01 0.08 -0.68 0.00 0.00 175.30 175.84 3i3d s VAL 895 N -2.44 0.40 -0.12 3.52 1.01 0.41 -4.59 120.40 118.59 3i3d s VAL 895 Ca 0.32 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3i3d s VAL 895 Cb -0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3i3d s VAL 895 CO 0.18 0.10 -0.18 0.21 0.00 0.00 0.00 175.10 175.41 3i3d s ASN 896 N 1.95 3.55 -0.01 3.32 3.84 -0.75 -1.43 114.94 125.41 3i3d s ASN 896 Ca 0.03 -0.45 -0.15 0.00 0.21 0.00 0.00 52.86 52.50 3i3d s ASN 896 Cb -0.14 -1.51 0.02 0.00 -0.55 0.00 0.00 41.25 39.07 3i3d s ASN 896 CO -0.06 0.15 0.32 -1.66 -2.79 0.00 0.00 177.10 173.07 3i3d s TRP 897 N 0.40 -0.19 -0.42 0.43 -2.14 -0.29 0.95 118.94 117.67 3i3d s TRP 897 Ca -0.14 0.27 -0.11 0.00 2.66 0.00 0.00 56.10 58.78 3i3d s TRP 897 Cb -0.17 0.11 0.07 0.00 -3.10 0.00 0.00 33.47 30.38 3i3d s TRP 897 CO 0.07 -0.41 0.27 -1.17 -2.66 0.00 0.00 176.95 173.05 3i3d s LEU 898 N -1.40 5.16 0.00 -4.66 2.96 0.23 -0.76 118.68 120.21 3i3d s LEU 898 Ca -0.13 -1.39 0.00 0.00 -0.22 0.00 0.00 54.13 52.40 3i3d s LEU 898 Cb -0.05 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3i3d s LEU 898 CO 0.04 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 3i3d n GLY 899 N 4.98 -0.56 3.70 7.98 0.00 -0.69 -0.68 105.19 119.91 3i3d n GLY 899 Ca -0.11 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3i3d n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 900 N 0.00 4.32 0.00 0.99 1.43 -0.90 -1.75 118.68 122.77 3i3d s LEU 900 Ca 0.00 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3i3d s LEU 900 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3i3d s LEU 900 CO 0.00 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.78 3i3d n GLY 901 N 3.10 1.56 0.21 -3.19 0.00 -0.17 -4.38 105.19 102.32 3i3d n GLY 901 Ca 0.08 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.49 3i3d n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3d h PRO 902 N 0.00 0.00 -7.36 1.61 0.13 -1.93 -1.15 132.00 123.30 3i3d h PRO 902 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3i3d h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3i3d h PRO 902 CO 0.00 0.09 0.41 -0.65 -0.23 0.00 0.00 178.00 177.63 3i3d s GLN 903 N -3.20 3.48 0.18 0.86 -0.21 -1.26 -4.98 119.66 114.53 3i3d s GLN 903 Ca 0.06 0.77 -0.33 0.00 0.02 0.00 0.00 55.36 55.88 3i3d s GLN 903 Cb 0.06 -2.06 -0.15 0.00 1.00 0.00 0.00 33.01 31.85 3i3d s GLN 903 CO 0.68 -0.66 1.25 -1.91 -2.12 0.00 0.00 175.29 172.52 3i3d n GLU 904 N -2.81 1.39 -3.74 2.91 2.13 -1.26 -4.90 120.64 114.36 3i3d n GLU 904 Ca 0.06 0.50 -0.13 0.00 0.66 0.00 0.00 57.16 58.25 3i3d n GLU 904 Cb 0.54 -2.05 -0.10 0.00 0.27 0.00 0.00 31.44 30.09 3i3d n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i3d s ASN 905 N 0.14 -0.40 0.37 4.31 2.20 0.53 -4.91 114.94 117.17 3i3d s ASN 905 Ca 0.73 0.78 0.08 0.00 -0.94 0.00 0.00 52.86 53.52 3i3d s ASN 905 Cb -0.81 0.79 -0.07 0.00 -2.00 0.00 0.00 41.25 39.16 3i3d s ASN 905 CO 0.51 -0.14 -0.04 -0.31 -2.94 0.00 0.00 177.10 174.18 3i3d s TYR 906 N 0.22 2.46 0.27 1.54 1.51 -0.89 -3.77 117.35 118.70 3i3d s TYR 906 Ca -0.00 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 3i3d s TYR 906 Cb -0.03 -1.56 0.60 0.00 -0.11 0.00 0.00 41.96 40.86 3i3d s TYR 906 CO 0.00 0.51 1.63 -1.35 -1.11 0.00 0.00 175.55 175.23 3i3d h PRO 907 N 1.89 0.12 -0.65 -1.71 0.11 -1.85 0.53 132.00 130.44 3i3d h PRO 907 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i3d h PRO 907 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i3d h PRO 907 CO 0.74 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 3i3d n ASP 908 N -5.33 4.28 -2.97 -2.05 5.75 -1.26 -4.41 116.55 110.56 3i3d n ASP 908 Ca 0.18 -2.35 -0.15 0.00 -0.01 0.00 0.00 54.79 52.46 3i3d n ASP 908 Cb 0.61 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3i3d n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i3d n ARG 909 N 1.08 0.82 -0.03 0.11 0.63 0.15 -0.09 116.66 119.32 3i3d n ARG 909 Ca 0.23 -2.53 0.00 0.00 -0.92 0.00 0.00 57.85 54.64 3i3d n ARG 909 Cb 0.79 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 32.35 3i3d n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3i3d n LEU 910 N 1.18 0.00 0.16 6.15 -0.00 -1.04 -2.08 117.00 121.37 3i3d n LEU 910 Ca 0.15 -0.09 0.02 0.00 -0.00 0.00 0.00 56.01 56.09 3i3d n LEU 910 Cb 0.61 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 44.36 3i3d n LEU 910 CO 0.11 0.04 0.73 0.71 -0.00 0.00 0.00 177.39 178.99 3i3d h THR 911 N 3.26 1.26 0.00 1.47 1.35 -1.91 -2.75 112.91 115.58 3i3d h THR 911 Ca 0.00 -1.26 -0.13 0.00 -0.55 0.00 0.00 66.41 64.47 3i3d h THR 911 Cb 1.02 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 3i3d h THR 911 CO 0.00 0.37 -0.62 0.00 -0.25 0.00 0.00 175.52 175.02 3i3d h ALA 912 N 1.58 0.78 -2.77 6.62 0.00 -1.88 -3.45 119.26 120.14 3i3d h ALA 912 Ca 0.01 -0.56 -0.52 0.00 0.00 0.00 0.00 54.91 53.84 3i3d h ALA 912 Cb 0.65 -0.10 0.09 0.00 0.00 0.00 0.00 17.79 18.43 3i3d h ALA 912 CO 0.05 0.77 0.50 0.00 0.00 0.00 0.00 179.25 180.57 3i3d s ALA 913 N -3.28 2.82 0.07 0.00 0.00 -1.04 -5.01 121.76 115.32 3i3d s ALA 913 Ca 0.01 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.06 3i3d s ALA 913 Cb 0.11 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3i3d s ALA 913 CO 0.75 -0.91 -0.21 0.00 0.00 0.00 0.00 175.76 175.40 3i3d s PHE 915 N -0.95 3.46 -0.03 0.00 5.36 -1.26 -1.00 117.98 123.55 3i3d s PHE 915 Ca 0.15 1.30 -0.13 0.00 -0.96 0.00 0.00 56.93 57.29 3i3d s PHE 915 Cb -0.10 -3.01 0.04 0.00 -0.34 0.00 0.00 43.02 39.61 3i3d s PHE 915 CO 0.06 -0.19 0.57 -3.47 -1.46 0.00 0.00 175.22 170.72 3i3d n ASP 916 N 4.98 -0.43 -4.57 6.13 -0.08 -0.72 -4.91 116.55 116.94 3i3d n ASP 916 Ca 0.04 -1.02 -0.42 0.00 -1.51 0.00 0.00 54.79 51.88 3i3d n ASP 916 Cb 0.49 0.66 -0.06 0.00 2.34 0.00 0.00 41.12 44.54 3i3d n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3i3d s ARG 917 N -2.00 3.70 0.09 -0.67 6.06 -1.26 -1.70 118.95 123.17 3i3d s ARG 917 Ca 0.13 0.12 0.08 0.00 -2.50 0.00 0.00 55.73 53.56 3i3d s ARG 917 Cb -0.00 -3.81 -0.04 0.00 0.06 0.00 0.00 34.95 31.17 3i3d s ARG 917 CO -0.01 -0.75 -0.15 -1.58 -2.50 0.00 0.00 175.30 170.31 3i3d s TRP 918 N 2.78 2.62 -0.15 5.12 0.52 0.06 -4.98 118.94 124.90 3i3d s TRP 918 Ca 0.26 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.12 3i3d s TRP 918 Cb -0.14 -1.41 0.07 0.00 -1.15 0.00 0.00 33.47 30.84 3i3d s TRP 918 CO 0.15 0.37 0.21 0.34 0.02 0.00 0.00 176.95 178.04 3i3d s ASP 919 N -1.98 1.02 0.12 2.95 3.68 -1.26 -1.14 116.67 120.06 3i3d s ASP 919 Ca 0.18 0.09 0.02 0.00 2.13 0.00 0.00 52.55 54.97 3i3d s ASP 919 Cb -0.11 0.40 -0.04 0.00 -1.45 0.00 0.00 42.92 41.72 3i3d s ASP 919 CO 0.10 -0.29 -0.05 -0.76 0.13 0.00 0.00 175.17 174.30 3i3d s LEU 920 N 2.33 2.42 0.52 -1.34 1.43 -0.51 -4.95 118.68 118.57 3i3d s LEU 920 Ca 0.05 -1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 3i3d s LEU 920 Cb -0.14 -0.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.93 3i3d s LEU 920 CO -0.09 -0.48 1.10 -2.16 0.23 0.00 0.00 176.35 174.94 3i3d s PRO 921 N -3.85 3.55 0.40 1.29 0.04 -1.26 -0.45 135.00 134.72 3i3d s PRO 921 Ca 0.15 1.53 0.19 0.00 0.04 0.00 0.00 61.00 62.91 3i3d s PRO 921 Cb 0.05 -2.07 1.11 0.00 0.04 0.00 0.00 34.50 33.64 3i3d s PRO 921 CO -0.02 -0.67 1.77 1.25 0.04 0.00 0.00 177.00 179.37 3i3d h LEU 922 N 1.40 0.44 -1.91 -3.56 5.85 -1.40 -1.03 115.31 115.09 3i3d h LEU 922 Ca -0.50 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3i3d h LEU 922 Cb 1.25 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 3i3d h LEU 922 CO 0.58 0.09 -0.08 0.77 -0.34 0.00 0.00 178.44 179.46 3i3d h SER 923 N 0.39 0.00 0.26 1.25 4.64 -1.90 -1.66 113.55 116.52 3i3d h SER 923 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3i3d h SER 923 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3i3d h SER 923 CO -0.29 0.08 0.00 0.47 -0.87 0.00 0.00 176.83 176.22 3i3d n ASP 924 N -4.30 0.00 -0.68 4.97 8.00 -0.39 -2.70 116.55 121.44 3i3d n ASP 924 Ca -0.03 -0.52 0.11 0.00 0.71 0.00 0.00 54.79 55.06 3i3d n ASP 924 Cb 0.16 -0.14 0.34 0.00 -0.02 0.00 0.00 41.12 41.46 3i3d n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i3d n MET 925 N -1.14 1.90 -5.10 -1.24 2.81 -0.62 -4.78 117.12 108.95 3i3d n MET 925 Ca 0.18 -1.35 -0.30 0.00 -1.81 0.00 0.00 57.70 54.41 3i3d n MET 925 Cb 0.16 -1.42 -0.17 0.00 -0.71 0.00 0.00 33.22 31.08 3i3d n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3i3d s TYR 926 N -1.75 2.28 -0.31 2.03 5.04 -1.10 -4.35 117.35 119.19 3i3d s TYR 926 Ca 0.34 -0.84 -0.10 0.00 -2.44 0.00 0.00 57.07 54.03 3i3d s TYR 926 Cb 0.19 -1.53 -0.01 0.00 0.35 0.00 0.00 41.96 40.95 3i3d s TYR 926 CO 0.28 -0.32 0.16 0.99 -1.34 0.00 0.00 175.55 175.31 3i3d s THR 927 N 0.23 4.68 -0.42 4.34 2.01 -1.26 -4.96 115.64 120.26 3i3d s THR 927 Ca -0.13 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 3i3d s THR 927 Cb -0.16 -3.38 -0.12 0.00 0.01 0.00 0.00 72.50 68.85 3i3d s THR 927 CO 0.06 0.07 2.38 -0.81 -0.69 0.00 0.00 174.62 175.63 3i3d n PRO 928 N 4.99 1.70 -1.71 4.92 -0.04 -1.26 -4.88 135.00 138.72 3i3d n PRO 928 Ca -0.14 -1.01 -0.43 0.00 -0.04 0.00 0.00 63.50 61.88 3i3d n PRO 928 Cb 0.49 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 3i3d n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3d n TYR 929 N 3.26 2.62 -0.21 0.54 4.02 -1.26 -4.86 117.16 121.28 3i3d n TYR 929 Ca 0.36 0.19 0.01 0.00 -0.01 0.00 0.00 57.90 58.46 3i3d n TYR 929 Cb 0.40 -2.60 0.11 0.00 -0.02 0.00 0.00 39.34 37.23 3i3d n TYR 929 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3i3d h VAL 930 N 3.54 0.54 -3.51 -0.72 2.07 -1.96 -3.25 116.25 112.96 3i3d h VAL 930 Ca -0.45 -0.06 -0.66 0.00 0.82 0.00 0.00 66.70 66.36 3i3d h VAL 930 Cb 1.23 0.35 -0.16 0.00 -1.52 0.00 0.00 31.29 31.19 3i3d h VAL 930 CO 0.87 0.03 0.13 0.12 0.02 0.00 0.00 177.57 178.75 3i3d s PHE 931 N -6.13 3.05 0.45 1.57 5.36 -1.26 -0.64 117.98 120.38 3i3d s PHE 931 Ca -0.13 -0.14 -0.25 0.00 -0.96 0.00 0.00 56.93 55.44 3i3d s PHE 931 Cb 0.19 -3.41 -0.08 0.00 -0.34 0.00 0.00 43.02 39.37 3i3d s PHE 931 CO 0.74 -0.92 1.42 -2.14 -1.46 0.00 0.00 175.22 172.85 3i3d s PRO 932 N 2.84 3.69 0.18 10.12 0.02 -1.23 -4.97 135.00 145.65 3i3d s PRO 932 Ca 0.22 2.40 -0.20 0.00 0.02 0.00 0.00 61.00 63.44 3i3d s PRO 932 Cb -0.15 -2.65 0.07 0.00 0.02 0.00 0.00 34.50 31.79 3i3d s PRO 932 CO 0.18 -0.81 0.95 -1.13 -0.33 0.00 0.00 177.00 175.86 3i3d n SER 933 N -0.20 -1.65 -4.64 2.53 3.41 -1.26 -4.71 113.62 107.09 3i3d n SER 933 Ca 0.05 -1.89 -0.44 0.00 -0.26 0.00 0.00 58.87 56.33 3i3d n SER 933 Cb 0.42 2.69 -0.02 0.00 -0.26 0.00 0.00 64.21 67.04 3i3d n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i3d n GLU 934 N -0.67 1.76 -3.67 4.33 4.07 -0.25 -4.93 120.64 121.29 3i3d n GLU 934 Ca -0.02 0.62 -0.06 0.00 -0.06 0.00 0.00 57.16 57.64 3i3d n GLU 934 Cb 0.54 -2.15 -0.02 0.00 -0.06 0.00 0.00 31.44 29.75 3i3d n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i3d s ASN 935 N -0.17 -0.28 0.00 4.31 2.20 -1.26 -4.92 114.94 114.82 3i3d s ASN 935 Ca 0.62 -0.29 0.00 0.00 -0.94 0.00 0.00 52.86 52.26 3i3d s ASN 935 Cb -0.66 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.10 3i3d s ASN 935 CO 0.57 -0.91 0.00 0.61 -2.94 0.00 0.00 177.10 174.43 3i3d n GLY 936 N -0.40 0.43 3.74 0.45 0.00 -1.26 -4.81 105.19 103.34 3i3d n GLY 936 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3i3d n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i3d s LEU 937 N 0.00 3.70 -0.06 0.99 2.96 -1.26 -4.56 118.68 120.46 3i3d s LEU 937 Ca 0.00 2.66 0.01 0.00 -0.22 0.00 0.00 54.13 56.58 3i3d s LEU 937 Cb 0.00 -4.47 0.02 0.00 0.50 0.00 0.00 46.19 42.24 3i3d s LEU 937 CO 0.00 -1.77 -0.06 -0.13 -1.32 0.00 0.00 176.35 173.07 3i3d s ARG 938 N -3.17 1.03 0.52 1.98 3.00 0.60 -0.35 118.95 122.56 3i3d s ARG 938 Ca 0.77 -0.15 0.08 0.00 0.00 0.00 0.00 55.73 56.43 3i3d s ARG 938 Cb -0.38 -1.02 0.08 0.00 0.00 0.00 0.00 34.95 33.62 3i3d s ARG 938 CO 0.42 -0.10 0.65 0.00 0.00 0.00 0.00 175.30 176.28 3i3d n GLY 940 N -1.35 -0.45 3.72 0.00 0.00 -1.23 -2.12 105.19 103.76 3i3d n GLY 940 Ca 0.11 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3i3d n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3d s THR 941 N -3.19 5.22 -0.08 2.61 2.01 -0.45 -3.70 115.64 118.06 3i3d s THR 941 Ca 0.70 0.84 0.19 0.00 0.31 0.00 0.00 61.69 63.72 3i3d s THR 941 Cb -0.38 -3.77 -0.28 0.00 0.01 0.00 0.00 72.50 68.08 3i3d s THR 941 CO 0.86 0.33 0.32 0.54 -0.69 0.00 0.00 174.62 175.98 3i3d n ARG 942 N 3.73 0.73 -3.72 4.92 5.12 0.14 -1.33 116.66 126.25 3i3d n ARG 942 Ca -0.08 -0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 55.59 3i3d n ARG 942 Cb 0.52 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.24 3i3d n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3i3d s GLU 943 N -3.08 0.39 -0.03 5.56 2.12 -1.16 -0.46 118.70 122.04 3i3d s GLU 943 Ca -0.08 0.66 0.04 0.00 0.36 0.00 0.00 54.97 55.95 3i3d s GLU 943 Cb 0.10 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 3i3d s GLU 943 CO 0.80 -0.12 -0.16 -1.17 -0.54 0.00 0.00 175.26 174.07 3i3d s LEU 944 N 0.92 1.95 -0.07 2.70 2.96 0.13 -0.60 118.68 126.67 3i3d s LEU 944 Ca -0.06 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3i3d s LEU 944 Cb -0.06 -0.88 0.01 0.00 0.50 0.00 0.00 46.19 45.76 3i3d s LEU 944 CO -0.07 0.16 -0.12 0.20 -1.32 0.00 0.00 176.35 175.20 3i3d s ASN 945 N -0.12 1.81 -0.22 3.68 0.01 0.27 -0.93 114.94 119.44 3i3d s ASN 945 Ca 0.00 -0.30 -0.05 0.00 -0.71 0.00 0.00 52.86 51.80 3i3d s ASN 945 Cb -0.09 -0.83 0.11 0.00 0.41 0.00 0.00 41.25 40.85 3i3d s ASN 945 CO 0.01 0.02 0.41 -0.47 -1.51 0.00 0.00 177.10 175.56 3i3d s TYR 946 N 0.76 -0.85 0.00 2.20 5.04 -0.80 -1.82 117.35 121.88 3i3d s TYR 946 Ca -0.13 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 3i3d s TYR 946 Cb -0.15 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.36 3i3d s TYR 946 CO 0.03 -0.60 0.00 0.41 -1.34 0.00 0.00 175.55 174.05 3i3d n GLY 947 N 5.38 3.30 0.14 8.97 0.00 -1.26 -1.36 105.19 120.37 3i3d n GLY 947 Ca -0.06 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3i3d n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i3d n PRO 948 N 13.82 0.67 -3.35 1.61 -0.04 -1.26 -4.90 135.00 141.56 3i3d n PRO 948 Ca 0.00 -0.29 -0.32 0.00 -0.04 0.00 0.00 63.50 62.85 3i3d n PRO 948 Cb 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 3i3d n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i3d s HIS 949 N -2.53 3.41 -0.09 0.54 3.76 -0.46 -0.23 115.29 119.70 3i3d s HIS 949 Ca 0.26 0.94 -0.04 0.00 -0.15 0.00 0.00 55.06 56.07 3i3d s HIS 949 Cb 0.20 -2.32 0.04 0.00 1.11 0.00 0.00 32.58 31.61 3i3d s HIS 949 CO 0.50 0.22 0.21 -1.14 -0.85 0.00 0.00 174.74 173.68 3i3d s GLN 950 N -2.88 0.16 -0.08 1.40 0.74 0.18 -1.91 119.66 117.26 3i3d s GLN 950 Ca 0.49 0.48 0.04 0.00 0.05 0.00 0.00 55.36 56.42 3i3d s GLN 950 Cb -0.11 -0.14 -0.00 0.00 1.10 0.00 0.00 33.01 33.86 3i3d s GLN 950 CO 0.21 -0.17 -0.22 -1.58 -0.55 0.00 0.00 175.29 172.98 3i3d s TRP 951 N 1.28 2.33 0.12 1.67 0.51 -0.11 -1.44 118.94 123.30 3i3d s TRP 951 Ca -0.09 -0.88 0.08 0.00 -2.12 0.00 0.00 56.10 53.09 3i3d s TRP 951 Cb -0.11 -1.57 -0.04 0.00 -0.81 0.00 0.00 33.47 30.95 3i3d s TRP 951 CO -0.08 -0.35 -0.19 1.03 -0.51 0.00 0.00 176.95 176.86 3i3d s ARG 952 N 0.27 1.15 0.00 4.98 0.52 -0.69 0.20 118.95 125.38 3i3d s ARG 952 Ca -0.15 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 3i3d s ARG 952 Cb -0.17 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 34.00 3i3d s ARG 952 CO 0.07 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.09 3i3d n GLY 953 N 0.79 -0.06 2.80 -3.53 0.00 0.39 -1.82 105.19 103.76 3i3d n GLY 953 Ca -0.17 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 3i3d n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i3d s ASP 954 N -4.00 0.33 0.33 1.61 2.15 -1.23 -3.96 116.67 111.89 3i3d s ASP 954 Ca 0.00 -1.66 0.06 0.00 0.43 0.00 0.00 52.55 51.38 3i3d s ASP 954 Cb 0.00 0.88 -0.03 0.00 -0.30 0.00 0.00 42.92 43.47 3i3d s ASP 954 CO 0.00 -0.20 0.25 0.72 -0.17 0.00 0.00 175.17 175.77 3i3d s PHE 955 N 1.24 1.71 0.24 -5.34 -0.12 -0.44 -4.86 117.98 110.40 3i3d s PHE 955 Ca 0.21 -1.60 0.10 0.00 -0.05 0.00 0.00 56.93 55.59 3i3d s PHE 955 Cb -0.09 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.51 3i3d s PHE 955 CO -0.06 -0.79 -0.11 -0.65 -0.05 0.00 0.00 175.22 173.56 3i3d s GLN 956 N -3.53 1.97 0.04 1.99 -1.52 0.52 -1.34 119.66 117.79 3i3d s GLN 956 Ca 0.39 -1.48 -0.27 0.00 -1.95 0.00 0.00 55.36 52.05 3i3d s GLN 956 Cb 0.03 -2.02 0.09 0.00 -0.22 0.00 0.00 33.01 30.89 3i3d s GLN 956 CO 0.25 0.38 0.78 -0.59 -0.25 0.00 0.00 175.29 175.86 3i3d s PHE 957 N -2.12 -0.43 -0.01 0.91 -0.12 0.04 -0.34 117.98 115.90 3i3d s PHE 957 Ca 0.28 0.32 -0.04 0.00 -0.05 0.00 0.00 56.93 57.44 3i3d s PHE 957 Cb -0.07 0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 42.86 3i3d s PHE 957 CO 0.16 -0.65 0.07 0.54 -0.05 0.00 0.00 175.22 175.30 3i3d s ASN 958 N -2.45 0.02 -0.04 1.98 2.20 -0.84 -0.29 114.94 115.52 3i3d s ASN 958 Ca 0.02 -0.09 -0.02 0.00 -0.94 0.00 0.00 52.86 51.84 3i3d s ASN 958 Cb -0.01 0.17 0.03 0.00 -2.00 0.00 0.00 41.25 39.44 3i3d s ASN 958 CO -0.09 -0.19 0.09 -0.51 -2.94 0.00 0.00 177.10 173.46 3i3d s ILE 959 N -0.70 -0.04 0.09 0.54 2.07 -1.26 -1.69 121.20 120.21 3i3d s ILE 959 Ca -0.08 0.13 -0.19 0.00 -1.41 0.00 0.00 60.65 59.11 3i3d s ILE 959 Cb -0.05 -0.15 0.07 0.00 0.13 0.00 0.00 42.46 42.46 3i3d s ILE 959 CO 0.00 0.05 0.89 -1.54 -1.91 0.00 0.00 174.94 172.44 3i3d n SER 960 N 3.83 -1.24 -0.63 4.50 3.41 -0.69 -4.61 113.62 118.18 3i3d n SER 960 Ca -0.22 -1.55 0.10 0.00 -0.26 0.00 0.00 58.87 56.94 3i3d n SER 960 Cb 0.54 1.99 0.34 0.00 -0.26 0.00 0.00 64.21 66.82 3i3d n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3d n ARG 961 N -0.63 1.83 -4.73 4.33 5.12 -1.26 0.39 116.66 121.70 3i3d n ARG 961 Ca 0.00 -1.25 -0.33 0.00 -1.93 0.00 0.00 57.85 54.34 3i3d n ARG 961 Cb 0.46 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.22 3i3d n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i3d s TYR 962 N -1.73 2.77 0.52 -1.55 1.51 -1.26 -0.64 117.35 116.97 3i3d s TYR 962 Ca 0.32 -0.83 -0.14 0.00 -1.01 0.00 0.00 57.07 55.41 3i3d s TYR 962 Cb 0.18 -1.85 -0.07 0.00 -0.11 0.00 0.00 41.96 40.11 3i3d s TYR 962 CO 0.26 -0.33 0.95 -1.54 -1.11 0.00 0.00 175.55 173.77 3i3d s SER 963 N 0.53 6.50 0.41 2.29 1.04 -1.26 -4.82 113.70 118.39 3i3d s SER 963 Ca -0.10 1.43 0.11 0.00 0.48 0.00 0.00 55.95 57.87 3i3d s SER 963 Cb -0.16 -2.45 0.94 0.00 0.10 0.00 0.00 66.02 64.45 3i3d s SER 963 CO 0.04 -0.62 1.97 1.56 0.98 0.00 0.00 173.24 177.17 3i3d h GLN 964 N 0.66 0.49 -0.32 4.02 1.08 -1.99 -1.13 115.11 117.92 3i3d h GLN 964 Ca -0.46 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 3i3d h GLN 964 Cb 1.19 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 3i3d h GLN 964 CO 0.62 0.33 0.10 0.37 -0.95 0.00 0.00 178.83 179.30 3i3d h GLN 965 N 0.51 0.50 -0.35 1.46 4.15 -1.99 -0.94 115.11 118.45 3i3d h GLN 965 Ca 0.29 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 3i3d h GLN 965 Cb 0.46 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3i3d h GLN 965 CO -0.09 0.53 -0.01 0.37 -1.93 0.00 0.00 178.83 177.70 3i3d h GLN 966 N 0.36 0.63 -0.64 1.69 4.15 -1.68 -1.37 115.11 118.25 3i3d h GLN 966 Ca 0.10 -0.21 0.04 0.00 0.77 0.00 0.00 58.65 59.36 3i3d h GLN 966 Cb 0.24 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 3i3d h GLN 966 CO -0.00 0.75 0.42 -0.07 -1.93 0.00 0.00 178.83 178.00 3i3d h LEU 967 N 0.44 0.64 -0.53 -2.39 3.38 -1.14 -0.35 115.31 115.34 3i3d h LEU 967 Ca 0.10 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3i3d h LEU 967 Cb 0.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3i3d h LEU 967 CO 0.02 0.43 -0.73 -0.03 0.09 0.00 0.00 178.44 178.22 3i3d h MET 968 N 0.74 0.03 -0.01 1.13 4.05 -0.89 -3.27 114.93 116.70 3i3d h MET 968 Ca 0.26 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 3i3d h MET 968 Cb 0.12 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3i3d h MET 968 CO -0.07 0.75 -0.52 0.39 0.23 0.00 0.00 176.91 177.68 3i3d n GLU 969 N -3.68 0.59 -3.90 0.39 1.02 -0.54 -4.89 120.64 109.62 3i3d n GLU 969 Ca -0.01 -0.42 -0.35 0.00 -0.02 0.00 0.00 57.16 56.36 3i3d n GLU 969 Cb 0.71 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 3i3d n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3d s THR 970 N -2.71 4.94 -0.05 2.62 2.01 -0.23 -5.00 115.64 117.23 3i3d s THR 970 Ca 0.17 0.02 0.13 0.00 0.31 0.00 0.00 61.69 62.32 3i3d s THR 970 Cb 0.18 -3.25 -0.12 0.00 0.01 0.00 0.00 72.50 69.32 3i3d s THR 970 CO 0.65 0.43 1.11 0.77 -0.69 0.00 0.00 174.62 176.89 3i3d h SER 971 N 6.89 0.00 -4.21 3.53 4.64 -1.90 -3.37 113.55 119.13 3i3d h SER 971 Ca -0.38 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.48 3i3d h SER 971 Cb 1.16 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.98 3i3d h SER 971 CO 0.70 0.76 -0.80 -1.00 -0.87 0.00 0.00 176.83 175.62 3i3d s HIS 972 N -2.81 1.17 0.22 4.77 3.76 -1.26 -4.35 115.29 116.79 3i3d s HIS 972 Ca -0.00 -0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 3i3d s HIS 972 Cb 0.09 -0.74 0.25 0.00 1.11 0.00 0.00 32.58 33.29 3i3d s HIS 972 CO 0.80 -0.01 1.84 0.07 -0.85 0.00 0.00 174.74 176.59 3i3d h ARG 973 N 5.60 0.85 0.00 1.40 0.11 -1.09 -1.81 114.38 119.44 3i3d h ARG 973 Ca -0.35 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3i3d h ARG 973 Cb 1.17 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.06 3i3d h ARG 973 CO 0.48 0.56 0.00 -2.39 0.10 0.00 0.00 179.97 178.72 3i3d n HIS 974 N -4.67 0.32 1.27 4.08 1.44 -1.26 -0.86 115.22 115.54 3i3d n HIS 974 Ca 0.09 0.16 0.13 0.00 -2.01 0.00 0.00 57.72 56.10 3i3d n HIS 974 Cb 0.13 -0.76 0.37 0.00 0.12 0.00 0.00 29.99 29.85 3i3d n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i3d n LEU 975 N -1.82 2.06 -4.77 2.39 4.77 -0.68 -4.93 117.00 114.02 3i3d n LEU 975 Ca -0.00 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.88 3i3d n LEU 975 Cb 0.03 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3i3d n LEU 975 CO 0.05 0.36 0.70 -0.76 -1.33 0.00 0.00 177.39 176.41 3i3d s LEU 976 N -1.94 4.46 -0.08 2.23 1.43 -0.04 -5.04 118.68 119.70 3i3d s LEU 976 Ca 0.34 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.48 3i3d s LEU 976 Cb 0.20 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3i3d s LEU 976 CO 0.32 -0.07 -0.16 -1.38 0.23 0.00 0.00 176.35 175.28 3i3d s HIS 977 N -1.37 1.82 0.19 0.29 -3.43 -1.26 -5.10 115.29 106.44 3i3d s HIS 977 Ca 0.47 -0.71 -0.32 0.00 -0.80 0.00 0.00 55.06 53.69 3i3d s HIS 977 Cb -0.25 -1.28 -0.12 0.00 -1.43 0.00 0.00 32.58 29.49 3i3d s HIS 977 CO 0.31 -0.33 1.70 0.00 -2.00 0.00 0.00 174.74 174.42 3i3d n ALA 978 N 3.73 2.44 -1.95 -1.38 0.00 -1.26 -4.82 120.51 117.27 3i3d n ALA 978 Ca -0.22 0.41 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 3i3d n ALA 978 Cb 0.52 -2.49 0.06 0.00 0.00 0.00 0.00 19.45 17.54 3i3d n ALA 978 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3d s GLU 979 N 1.21 2.33 0.54 0.00 2.02 0.19 -5.04 118.70 119.94 3i3d s GLU 979 Ca 0.76 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 55.05 3i3d s GLU 979 Cb -0.55 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 3i3d s GLU 979 CO 0.34 -1.02 1.21 -2.00 0.02 0.00 0.00 175.26 173.81 3i3d s GLU 980 N -5.04 3.29 2.74 1.61 2.12 -1.26 -4.77 118.70 117.39 3i3d s GLU 980 Ca 0.59 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.78 3i3d s GLU 980 Cb -0.10 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3i3d s GLU 980 CO 0.42 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 3i3d n GLY 981 N 0.48 0.43 3.01 -1.50 0.00 -1.26 -4.80 105.19 101.56 3i3d n GLY 981 Ca 0.11 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 3i3d n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3d s THR 982 N 0.00 1.21 -0.14 2.61 2.01 0.18 -4.73 115.64 116.78 3i3d s THR 982 Ca 0.00 -0.48 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 3i3d s THR 982 Cb 0.00 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3i3d s THR 982 CO 0.00 0.38 0.88 0.26 -0.69 0.00 0.00 174.62 175.45 3i3d s TRP 983 N 0.96 3.47 -0.11 4.92 0.52 0.16 0.52 118.94 129.38 3i3d s TRP 983 Ca -0.09 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.43 3i3d s TRP 983 Cb -0.15 -3.05 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 3i3d s TRP 983 CO -0.00 -0.20 -0.17 -1.17 0.02 0.00 0.00 176.95 175.43 3i3d s LEU 984 N 1.96 2.51 -0.17 2.99 2.96 -0.12 -1.71 118.68 127.09 3i3d s LEU 984 Ca 0.42 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3i3d s LEU 984 Cb -0.17 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3i3d s LEU 984 CO 0.15 0.18 -0.16 0.20 -1.32 0.00 0.00 176.35 175.39 3i3d s ASN 985 N 0.27 3.02 -0.20 3.68 0.01 -0.68 -2.05 114.94 118.99 3i3d s ASN 985 Ca -0.12 -0.63 0.01 0.00 -0.71 0.00 0.00 52.86 51.41 3i3d s ASN 985 Cb -0.16 -1.33 0.03 0.00 0.41 0.00 0.00 41.25 40.20 3i3d s ASN 985 CO 0.06 -0.04 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.82 3i3d s ILE 986 N 1.37 2.01 -0.08 0.60 1.01 -0.46 -1.99 121.20 123.67 3i3d s ILE 986 Ca 0.04 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.58 3i3d s ILE 986 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3i3d s ILE 986 CO -0.11 0.33 -0.09 -1.81 0.00 0.00 0.00 174.94 173.26 3i3d s ASP 987 N 1.26 4.47 0.08 3.58 1.01 0.53 -0.28 116.67 127.32 3i3d s ASP 987 Ca 0.00 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 3i3d s ASP 987 Cb -0.15 -1.18 -0.26 0.00 1.01 0.00 0.00 42.92 42.34 3i3d s ASP 987 CO -0.10 0.33 1.14 1.23 0.21 0.00 0.00 175.17 177.98 3i3d h GLY 988 N 5.50 0.23 -5.05 0.21 0.00 -1.23 0.15 103.07 102.88 3i3d h GLY 988 Ca -0.45 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 46.13 3i3d h GLY 988 CO 0.53 0.51 -0.54 -1.36 0.00 0.00 0.00 176.54 175.68 3i3d s PHE 989 N -2.66 -0.01 -0.06 5.60 0.40 -0.91 -4.72 117.98 115.63 3i3d s PHE 989 Ca -0.03 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.29 3i3d s PHE 989 Cb 0.08 -0.02 0.03 0.00 0.51 0.00 0.00 43.02 43.61 3i3d s PHE 989 CO 0.86 -0.19 0.12 -1.58 0.70 0.00 0.00 175.22 175.14 3i3d s HIS 990 N -0.83 -0.13 0.71 0.36 2.46 -1.26 -0.86 115.29 115.74 3i3d s HIS 990 Ca -0.09 0.40 -0.15 0.00 0.47 0.00 0.00 55.06 55.69 3i3d s HIS 990 Cb -0.05 -0.08 0.03 0.00 -0.13 0.00 0.00 32.58 32.35 3i3d s HIS 990 CO 0.01 -0.14 1.18 1.41 -2.47 0.00 0.00 174.74 174.73 3i3d s MET 991 N 0.96 2.30 0.99 2.88 1.75 0.61 -4.72 119.30 124.07 3i3d s MET 991 Ca -0.07 1.66 -0.12 0.00 -1.25 0.00 0.00 55.69 55.91 3i3d s MET 991 Cb -0.10 -1.86 0.18 0.00 2.84 0.00 0.00 34.83 35.89 3i3d s MET 991 CO -0.04 -1.69 1.08 0.20 -0.65 0.00 0.00 175.02 173.92 3i3d s GLY 992 N -2.18 1.60 0.03 2.11 0.00 -0.43 -4.74 107.32 103.71 3i3d s GLY 992 Ca 0.72 -0.05 0.22 0.00 0.00 0.00 0.00 44.72 45.61 3i3d s GLY 992 CO 0.44 0.51 0.62 0.29 0.00 0.00 0.00 173.10 174.96 3i3d n ILE 993 N -4.27 0.19 -4.48 0.90 -5.35 -1.26 -4.94 119.36 100.14 3i3d n ILE 993 Ca 0.06 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3i3d n ILE 993 Cb 0.55 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 3i3d n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i3d n GLY 994 N 1.25 -0.27 0.00 3.28 0.00 -1.26 -4.73 105.19 103.45 3i3d n GLY 994 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3i3d n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 995 N 0.00 0.44 0.54 -0.02 0.00 -1.26 -0.09 105.19 104.81 3i3d n GLY 995 Ca 0.00 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.39 3i3d n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i3d h ASP 996 N 0.00 0.09 -5.05 1.61 3.32 -1.80 -1.88 116.42 112.71 3i3d h ASP 996 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3i3d h ASP 996 Cb 0.00 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3i3d h ASP 996 CO 0.00 -0.01 0.28 1.51 -1.72 0.00 0.00 179.24 179.30 3i3d s ASP 997 N -4.90 -0.21 -0.16 6.45 1.47 -1.26 -4.02 116.67 114.03 3i3d s ASP 997 Ca -0.06 -0.66 0.14 0.00 1.18 0.00 0.00 52.55 53.15 3i3d s ASP 997 Cb 0.25 0.71 0.40 0.00 -0.34 0.00 0.00 42.92 43.94 3i3d s ASP 997 CO 0.82 -1.33 1.20 -1.20 0.68 0.00 0.00 175.17 175.34 3i3d n SER 998 N -0.61 1.60 0.00 2.11 7.64 -1.26 -4.68 113.62 118.42 3i3d n SER 998 Ca -0.05 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.36 3i3d n SER 998 Cb 0.59 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3i3d n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3i3d n TRP 999 N -0.83 0.00 -3.65 1.43 2.14 -1.26 -3.98 117.44 111.30 3i3d n TRP 999 Ca 0.16 -0.14 -0.12 0.00 2.07 0.00 0.00 57.50 59.47 3i3d n TRP 999 Cb 0.77 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 31.20 3i3d n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3i3d s SER 1000N -0.28 -0.28 0.11 -0.67 1.04 -1.26 -4.47 113.70 107.89 3i3d s SER 1000Ca 0.00 -0.10 -0.35 0.00 0.48 0.00 0.00 55.95 55.99 3i3d s SER 1000Cb 0.00 0.44 -0.14 0.00 0.10 0.00 0.00 66.02 66.42 3i3d s SER 1000CO 0.00 -0.73 1.58 -2.65 0.98 0.00 0.00 173.24 172.42 3i3d n PRO 1001N 0.26 1.95 0.00 4.02 -0.02 -1.26 -4.83 135.00 135.12 3i3d n PRO 1001Ca -0.18 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3i3d n PRO 1001Cb 0.61 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3i3d n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i3d n SER 1002N 3.70 0.80 -4.64 2.55 3.41 -1.26 -5.02 113.62 113.16 3i3d n SER 1002Ca 0.18 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.07 3i3d n SER 1002Cb 0.27 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3i3d n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i3d s VAL 1003N -0.30 4.32 0.69 -3.33 1.01 -1.26 -4.29 120.40 117.24 3i3d s VAL 1003Ca 0.00 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 3i3d s VAL 1003Cb 0.00 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3i3d s VAL 1003CO 0.00 -0.33 1.18 -0.24 0.00 0.00 0.00 175.10 175.70 3i3d n SER 1004N 7.01 1.41 -0.35 3.32 2.88 -1.26 -4.85 113.62 121.78 3i3d n SER 1004Ca 0.14 0.74 0.07 0.00 -1.33 0.00 0.00 58.87 58.49 3i3d n SER 1004Cb 0.46 -1.50 0.24 0.00 -0.75 0.00 0.00 64.21 62.65 3i3d n SER 1004CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3d h ALA 1005N 0.06 1.48 0.00 -1.46 0.00 -1.96 -1.14 119.26 116.24 3i3d h ALA 1005Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i3d h ALA 1005Cb 1.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i3d h ALA 1005CO 0.50 0.19 0.00 -0.85 0.00 0.00 0.00 179.25 179.09 3i3d n GLU 1006N -4.65 0.22 -0.07 0.00 0.00 -1.26 -2.00 120.64 112.89 3i3d n GLU 1006Ca 0.19 0.13 0.04 0.00 0.00 0.00 0.00 57.16 57.51 3i3d n GLU 1006Cb 0.36 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.37 3i3d n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3i3d n PHE 1007N -1.22 0.12 -3.82 -1.84 3.01 -0.44 -4.99 117.46 108.29 3i3d n PHE 1007Ca 0.06 -0.64 -0.36 0.00 1.01 0.00 0.00 57.45 57.52 3i3d n PHE 1007Cb 0.08 -0.09 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 3i3d n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3i3d s GLN 1008N -1.56 3.51 -1.31 -1.08 -0.21 -0.85 -1.31 119.66 116.85 3i3d s GLN 1008Ca 0.13 -0.10 -0.15 0.00 0.02 0.00 0.00 55.36 55.26 3i3d s GLN 1008Cb 0.10 -3.15 0.09 0.00 1.00 0.00 0.00 33.01 31.06 3i3d s GLN 1008CO 0.03 0.72 1.79 1.28 -2.12 0.00 0.00 175.29 177.00 3i3d n LEU 1009N 1.59 5.57 -0.71 2.90 4.77 -1.26 -4.67 117.00 125.18 3i3d n LEU 1009Ca -0.16 -4.15 0.07 0.00 -0.03 0.00 0.00 56.01 51.74 3i3d n LEU 1009Cb 0.54 -1.68 0.15 0.00 -2.33 0.00 0.00 43.42 40.10 3i3d n LEU 1009CO 0.36 0.59 0.61 -1.54 -1.33 0.00 0.00 177.39 176.08 3i3d n SER 1010N 6.90 2.87 0.28 -1.43 3.41 -1.26 -4.37 113.62 120.02 3i3d n SER 1010Ca 0.46 -1.89 0.19 0.00 -0.26 0.00 0.00 58.87 57.37 3i3d n SER 1010Cb 0.43 -0.21 0.97 0.00 -0.26 0.00 0.00 64.21 65.14 3i3d n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d h ALA 1011N 2.49 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 124.64 3i3d h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3d h ALA 1011Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i3d h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i3d n GLY 1012N -0.90 1.62 2.98 0.00 0.00 -1.26 -4.89 105.19 102.75 3i3d n GLY 1012Ca -0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 3i3d n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3d s ARG 1013N 0.00 1.45 0.08 1.61 0.52 -1.26 0.36 118.95 121.71 3i3d s ARG 1013Ca 0.00 -0.31 0.06 0.00 -0.52 0.00 0.00 55.73 54.96 3i3d s ARG 1013Cb 0.00 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 3i3d s ARG 1013CO 0.00 -0.03 -0.17 0.71 0.02 0.00 0.00 175.30 175.83 3i3d s TYR 1014N 0.84 1.46 -0.02 -0.53 1.51 0.16 -4.97 117.35 115.79 3i3d s TYR 1014Ca -0.12 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 3i3d s TYR 1014Cb -0.15 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 3i3d s TYR 1014CO 0.02 0.11 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.94 3i3d s HIS 1015N -1.15 0.57 -0.00 2.71 2.46 -1.26 -0.59 115.29 118.02 3i3d s HIS 1015Ca 0.02 -0.12 -0.20 0.00 0.47 0.00 0.00 55.06 55.23 3i3d s HIS 1015Cb -0.10 -0.46 0.04 0.00 -0.13 0.00 0.00 32.58 31.93 3i3d s HIS 1015CO 0.03 -0.09 0.43 1.52 -2.47 0.00 0.00 174.74 174.16 3i3d s TYR 1016N 0.39 -0.32 0.01 3.88 -0.85 -0.70 -5.03 117.35 114.71 3i3d s TYR 1016Ca -0.04 0.46 0.02 0.00 -0.52 0.00 0.00 57.07 56.99 3i3d s TYR 1016Cb -0.08 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.46 3i3d s TYR 1016CO -0.00 -0.50 -0.06 1.14 -1.52 0.00 0.00 175.55 174.60 3i3d s GLN 1017N -1.64 0.50 0.05 -3.49 -2.07 -1.26 -1.27 119.66 110.47 3i3d s GLN 1017Ca -0.10 -0.32 0.04 0.00 -1.82 0.00 0.00 55.36 53.15 3i3d s GLN 1017Cb -0.03 -0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 31.42 3i3d s GLN 1017CO 0.04 0.12 -0.13 -0.51 -1.32 0.00 0.00 175.29 173.49 3i3d s LEU 1018N -0.43 2.21 -0.23 2.60 1.43 0.34 -4.38 118.68 120.22 3i3d s LEU 1018Ca 0.00 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3i3d s LEU 1018Cb -0.04 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.74 3i3d s LEU 1018CO -0.00 -0.04 -0.14 -0.69 0.23 0.00 0.00 176.35 175.70 3i3d s VAL 1019N -1.04 2.17 -0.19 -1.59 1.01 -0.76 0.92 120.40 120.92 3i3d s VAL 1019Ca -0.01 -1.31 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 3i3d s VAL 1019Cb -0.09 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3i3d s VAL 1019CO 0.01 0.22 0.09 0.86 0.00 0.00 0.00 175.10 176.28 3i3d s TRP 1020N 1.19 3.28 0.08 5.22 -0.11 0.61 -1.70 118.94 127.52 3i3d s TRP 1020Ca -0.03 0.12 -0.22 0.00 1.22 0.00 0.00 56.10 57.20 3i3d s TRP 1020Cb -0.17 -2.12 0.05 0.00 -1.50 0.00 0.00 33.47 29.73 3i3d s TRP 1020CO -0.08 0.15 0.53 0.00 -4.62 0.00 0.00 176.95 172.93 3i3d s GLN 1022N -2.94 4.35 0.00 0.00 0.74 -1.26 -0.65 119.66 119.91 3i3d s GLN 1022Ca -0.03 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.08 3i3d s GLN 1022Cb -0.00 -3.48 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3i3d s GLN 1022CO -0.06 0.01 0.16 1.63 -0.55 0.00 0.00 175.29 176.48