#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kws s LEU 49 N 0.00 4.38 0.25 0.64 2.96 -1.26 -4.97 118.68 120.68 3kws s LEU 49 Ca 0.00 2.77 -0.30 0.00 -0.22 0.00 0.00 54.13 56.38 3kws s LEU 49 Cb 0.00 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 3kws s LEU 49 CO 0.00 -0.94 0.99 -0.70 -1.32 0.00 0.00 176.35 174.38 3kws s GLU 50 N 1.54 4.78 -0.42 1.98 2.12 -1.26 -5.04 118.70 122.41 3kws s GLU 50 Ca 0.75 1.59 -0.22 0.00 0.36 0.00 0.00 54.97 57.45 3kws s GLU 50 Cb -0.47 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 30.69 3kws s GLU 50 CO 0.33 0.41 0.70 -1.17 -0.54 0.00 0.00 175.26 174.99 3kws s LEU 51 N -1.23 4.34 -0.65 2.70 2.96 -1.26 -4.94 118.68 120.60 3kws s LEU 51 Ca 0.42 -0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 54.05 3kws s LEU 51 Cb -0.28 -2.84 0.14 0.00 0.50 0.00 0.00 46.19 43.71 3kws s LEU 51 CO 0.35 -0.79 0.68 -0.54 -1.32 0.00 0.00 176.35 174.73 3kws s LYS 52 N 2.99 3.19 0.41 1.98 1.02 -1.26 -5.04 119.74 123.03 3kws s LYS 52 Ca 0.26 -1.75 -0.22 0.00 0.02 0.00 0.00 55.97 54.28 3kws s LYS 52 Cb -0.13 -4.36 -0.10 0.00 -0.52 0.00 0.00 37.83 32.71 3kws s LYS 52 CO 0.19 -1.43 0.98 -0.51 -0.92 0.00 0.00 175.35 173.66 3kws s LEU 53 N 1.74 4.04 0.03 3.17 1.43 -1.26 -0.97 118.68 126.85 3kws s LEU 53 Ca 0.12 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.99 3kws s LEU 53 Cb -0.22 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 3kws s LEU 53 CO 0.00 -0.38 0.04 -0.55 0.23 0.00 0.00 176.35 175.69 3kws s SER 54 N -1.95 0.24 -0.02 2.29 0.15 0.07 -1.57 113.70 112.91 3kws s SER 54 Ca 0.60 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.71 3kws s SER 54 Cb -0.14 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 3kws s SER 54 CO 0.18 -0.46 -0.17 -0.36 1.20 0.00 0.00 173.24 173.64 3kws s PHE 55 N -2.46 1.56 0.88 3.44 0.08 -0.53 -0.64 117.98 120.32 3kws s PHE 55 Ca -0.06 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 3kws s PHE 55 Cb -0.02 -1.03 0.12 0.00 -0.57 0.00 0.00 43.02 41.52 3kws s PHE 55 CO -0.04 -0.08 1.13 -0.65 -0.10 0.00 0.00 175.22 175.47 3kws s GLN 56 N -0.21 1.31 0.50 0.44 -0.21 -0.92 -0.95 119.66 119.63 3kws s GLN 56 Ca 0.02 1.41 0.15 0.00 0.02 0.00 0.00 55.36 56.96 3kws s GLN 56 Cb -0.08 -1.77 1.20 0.00 1.00 0.00 0.00 33.01 33.35 3kws s GLN 56 CO 0.00 -2.38 2.13 1.49 -2.12 0.00 0.00 175.29 174.41 3kws h GLU 57 N -1.68 0.10 -0.13 2.91 4.81 -1.84 -2.38 114.58 116.36 3kws h GLU 57 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kws h GLU 57 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3kws h GLU 57 CO 0.45 0.06 0.00 0.41 -0.73 0.00 0.00 179.01 179.20 3kws n GLY 58 N -1.53 0.03 0.07 1.92 0.00 -1.26 -4.46 105.19 99.96 3kws n GLY 58 Ca -0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3kws n GLY 58 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kws h ILE 59 N 1.78 1.55 -3.93 -0.61 1.08 -1.78 -3.46 117.51 112.13 3kws h ILE 59 Ca 0.00 -1.90 -0.49 0.00 -0.39 0.00 0.00 64.86 62.08 3kws h ILE 59 Cb 0.39 2.79 0.02 0.00 -3.07 0.00 0.00 36.82 36.95 3kws h ILE 59 CO 0.00 0.48 0.43 0.00 -0.69 0.00 0.00 178.15 178.36 3kws s ALA 60 N -2.85 3.14 0.63 1.87 0.00 -1.26 -5.00 121.76 118.28 3kws s ALA 60 Ca -0.17 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 3kws s ALA 60 Cb -0.01 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3kws s ALA 60 CO 0.64 -0.23 1.16 -1.25 0.00 0.00 0.00 175.76 176.07 3kws s PRO 61 N -2.31 2.82 0.00 0.00 0.04 -1.26 -4.89 135.00 129.41 3kws s PRO 61 Ca 0.56 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3kws s PRO 61 Cb -0.24 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kws s PRO 61 CO 0.31 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.48 3kws n GLY 62 N 0.07 4.15 0.61 0.56 0.00 -1.26 -4.09 105.19 105.23 3kws n GLY 62 Ca 0.12 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.36 3kws n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kws n GLU 63 N -1.52 1.72 -4.01 1.61 -0.58 -1.26 -4.82 120.64 111.78 3kws n GLU 63 Ca 0.00 -1.22 -0.10 0.00 -0.42 0.00 0.00 57.16 55.42 3kws n GLU 63 Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.33 3kws n GLU 63 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3kws s SER 64 N -2.12 -0.02 0.18 1.62 1.04 -1.26 -5.01 113.70 108.12 3kws s SER 64 Ca 0.31 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 3kws s SER 64 Cb 0.20 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.90 3kws s SER 64 CO 0.38 -1.01 1.84 0.25 0.98 0.00 0.00 173.24 175.67 3kws h LEU 65 N 2.40 0.63 -1.13 2.42 5.85 -1.99 -2.05 115.31 121.44 3kws h LEU 65 Ca -0.30 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3kws h LEU 65 Cb 1.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3kws h LEU 65 CO 0.42 0.46 -0.16 0.78 -0.34 0.00 0.00 178.44 179.60 3kws h ASN 66 N 0.74 0.40 -0.60 1.25 2.35 -1.96 -0.91 115.58 116.85 3kws h ASN 66 Ca 0.20 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 3kws h ASN 66 Cb -0.08 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3kws h ASN 66 CO -0.04 0.59 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.98 3kws h GLU 67 N 0.38 1.07 -0.68 0.81 5.08 -1.83 -1.68 114.58 117.73 3kws h GLU 67 Ca 0.07 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3kws h GLU 67 Cb 0.52 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3kws h GLU 67 CO 0.03 1.05 0.20 0.87 -1.00 0.00 0.00 179.01 180.16 3kws h LYS 68 N 0.97 1.08 -0.53 2.33 1.57 -0.83 -2.16 116.57 119.00 3kws h LYS 68 Ca 0.17 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3kws h LYS 68 Cb 0.58 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3kws h LYS 68 CO 0.03 0.94 0.05 -0.07 -0.57 0.00 0.00 179.45 179.84 3kws h LEU 69 N 1.01 0.82 -0.67 2.94 3.38 -1.03 -2.62 115.31 119.15 3kws h LEU 69 Ca 0.22 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kws h LEU 69 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kws h LEU 69 CO -0.00 0.86 0.44 0.44 0.09 0.00 0.00 178.44 180.26 3kws h ASP 70 N 0.81 0.76 0.00 -0.43 3.32 -1.02 0.47 116.42 120.33 3kws h ASP 70 Ca 0.16 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kws h ASP 70 Cb 0.41 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kws h ASP 70 CO 0.01 0.54 0.00 0.33 -1.72 0.00 0.00 179.24 178.41 3kws n PHE 71 N -4.63 0.00 0.00 4.55 -0.00 -0.84 -1.44 117.46 115.11 3kws n PHE 71 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3kws n PHE 71 Cb 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.45 3kws n PHE 71 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3kws n GLU 73 N 0.61 0.00 -0.08 -4.13 1.02 0.15 -2.35 120.64 115.87 3kws n GLU 73 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 3kws n GLU 73 Cb 0.06 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 31.94 3kws n GLU 73 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3kws h LYS 74 N 0.00 0.47 -0.05 3.49 1.79 -1.50 -1.45 116.57 119.32 3kws h LYS 74 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3kws h LYS 74 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 3kws h LYS 74 CO 0.00 0.31 0.00 1.28 -1.08 0.00 0.00 179.45 179.96 3kws n LEU 75 N -4.47 2.06 -1.64 2.94 4.77 -0.99 -4.95 117.00 114.71 3kws n LEU 75 Ca 0.08 -0.71 -0.14 0.00 -0.03 0.00 0.00 56.01 55.21 3kws n LEU 75 Cb 0.28 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3kws n LEU 75 CO 0.34 0.36 -0.16 0.61 -1.33 0.00 0.00 177.39 177.21 3kws n GLY 76 N 1.24 -0.20 3.65 -0.72 0.00 -0.55 -4.97 105.19 103.64 3kws n GLY 76 Ca 0.17 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kws n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kws s VAL 77 N -2.72 4.84 -2.25 1.61 1.01 -1.26 -4.77 120.40 116.85 3kws s VAL 77 Ca 0.02 1.58 0.19 0.00 0.00 0.00 0.00 61.98 63.77 3kws s VAL 77 Cb -0.01 -4.12 0.19 0.00 0.00 0.00 0.00 36.38 32.44 3kws s VAL 77 CO 0.02 -0.06 1.13 1.33 0.00 0.00 0.00 175.10 177.53 3kws n VAL 78 N 5.16 0.11 -4.47 2.92 0.24 -0.61 -4.42 118.33 117.27 3kws n VAL 78 Ca 0.05 -0.55 -0.24 0.00 -2.04 0.00 0.00 64.34 61.56 3kws n VAL 78 Cb 0.48 1.29 -0.13 0.00 -1.47 0.00 0.00 33.84 34.01 3kws n VAL 78 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kws s GLY 79 N -1.50 1.11 -0.09 7.63 0.00 -0.66 -1.43 107.32 112.39 3kws s GLY 79 Ca 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3kws s GLY 79 CO 0.24 -1.06 -0.08 -0.12 0.00 0.00 0.00 173.10 172.08 3kws s PHE 80 N -0.95 1.28 -0.48 1.90 5.36 -0.36 -1.45 117.98 123.28 3kws s PHE 80 Ca 0.06 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.51 3kws s PHE 80 Cb -0.09 -1.06 0.13 0.00 -0.34 0.00 0.00 43.02 41.65 3kws s PHE 80 CO 0.03 -0.38 0.23 -2.00 -1.46 0.00 0.00 175.22 171.63 3kws s GLU 81 N 1.34 1.94 0.58 10.12 2.12 -0.13 -1.24 118.70 133.43 3kws s GLU 81 Ca -0.03 -2.36 -0.08 0.00 0.36 0.00 0.00 54.97 52.86 3kws s GLU 81 Cb -0.14 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 3kws s GLU 81 CO -0.04 -1.07 0.94 -1.25 -0.54 0.00 0.00 175.26 173.30 3kws s PRO 82 N 0.15 3.42 0.70 4.30 0.04 -1.25 -2.53 135.00 139.83 3kws s PRO 82 Ca 0.15 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.50 3kws s PRO 82 Cb -0.23 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.12 3kws s PRO 82 CO -0.03 -0.51 1.08 0.20 0.04 0.00 0.00 177.00 177.78 3kws s GLY 83 N -4.19 1.86 0.36 0.56 0.00 -1.26 -1.08 107.32 103.58 3kws s GLY 83 Ca 0.53 0.31 0.26 0.00 0.00 0.00 0.00 44.72 45.81 3kws s GLY 83 CO 0.50 0.64 1.74 -1.33 0.00 0.00 0.00 173.10 174.64 3kws h GLY 84 N -0.48 0.00 -5.36 0.20 0.00 -1.05 -3.43 103.07 92.95 3kws h GLY 84 Ca -0.45 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.34 3kws h GLY 84 CO 0.54 0.00 1.20 0.61 0.00 0.00 0.00 176.54 178.89 3kws n GLY 85 N 0.85 1.79 2.52 4.60 0.00 -1.26 -1.66 105.19 112.03 3kws n GLY 85 Ca 0.04 0.81 -0.17 0.00 0.00 0.00 0.00 46.02 46.70 3kws n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kws n GLY 86 N 4.49 1.67 0.36 -0.02 0.00 -1.26 -4.89 105.19 105.53 3kws n GLY 86 Ca 0.20 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3kws n GLY 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kws h LEU 87 N 0.00 0.94 -0.77 0.99 5.85 -1.58 -2.18 115.31 118.56 3kws h LEU 87 Ca -0.34 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3kws h LEU 87 Cb 1.13 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 3kws h LEU 87 CO 0.50 0.54 0.44 0.00 -0.34 0.00 0.00 178.44 179.59 3kws h ALA 88 N 1.50 1.06 0.00 1.25 0.00 -1.86 -0.01 119.26 121.20 3kws h ALA 88 Ca 0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3kws h ALA 88 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kws h ALA 88 CO -0.23 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.55 3kws n GLY 89 N -1.31 -1.05 0.66 0.00 0.00 -0.83 -2.82 105.19 99.84 3kws n GLY 89 Ca 0.11 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3kws n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kws n ARG 90 N -1.46 1.31 -0.02 1.61 1.74 -0.06 -4.69 116.66 115.09 3kws n ARG 90 Ca 0.05 -1.48 -0.09 0.00 -0.77 0.00 0.00 57.85 55.56 3kws n ARG 90 Cb 0.19 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3kws n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kws h VAL 91 N 3.24 0.81 -0.46 1.55 2.07 -1.29 -0.41 116.25 121.76 3kws h VAL 91 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kws h VAL 91 Cb 0.69 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3kws h VAL 91 CO 0.00 0.00 0.15 0.78 0.02 0.00 0.00 177.57 178.52 3kws h ASN 92 N -0.02 0.66 -0.38 0.57 2.35 -1.84 -0.85 115.58 116.07 3kws h ASN 92 Ca 0.08 -0.20 0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3kws h ASN 92 Cb 0.14 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 3kws h ASN 92 CO -0.18 0.68 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.11 3kws h GLU 93 N 0.60 0.00 -0.04 0.81 4.81 -1.78 -0.84 114.58 118.14 3kws h GLU 93 Ca 0.15 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3kws h GLU 93 Cb 0.25 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kws h GLU 93 CO -0.01 0.00 -0.05 0.82 -0.73 0.00 0.00 179.01 179.05 3kws h ILE 94 N 0.00 1.40 -0.96 2.32 2.04 -0.95 -1.70 117.51 119.65 3kws h ILE 94 Ca 0.18 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3kws h ILE 94 Cb 0.28 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 3kws h ILE 94 CO -0.39 0.34 0.61 0.11 0.00 0.00 0.00 178.15 178.81 3kws h LYS 95 N -0.38 1.29 -0.42 2.37 1.57 -1.04 -1.29 116.57 118.67 3kws h LYS 95 Ca 0.00 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 3kws h LYS 95 Cb 0.57 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3kws h LYS 95 CO 0.01 0.88 -0.30 1.96 -0.57 0.00 0.00 179.45 181.43 3kws h GLN 96 N 1.32 0.93 -0.30 3.15 4.20 -1.15 -1.36 115.11 121.89 3kws h GLN 96 Ca 0.35 -0.44 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3kws h GLN 96 Cb -0.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3kws h GLN 96 CO -0.07 1.10 -0.08 0.00 -0.67 0.00 0.00 178.83 179.11 3kws h ALA 97 N 0.86 1.29 0.00 3.87 0.00 -0.81 -2.93 119.26 121.54 3kws h ALA 97 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kws h ALA 97 Cb 0.88 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kws h ALA 97 CO 0.08 0.47 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 3kws h LEU 98 N 0.47 0.00 -9.29 0.00 3.38 -1.04 -3.46 115.31 105.37 3kws h LEU 98 Ca 0.09 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.39 3kws h LEU 98 Cb 0.43 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.22 3kws h LEU 98 CO 0.02 0.00 0.77 0.59 0.09 0.00 0.00 178.44 179.92 3kws n ASN 99 N -2.80 2.51 0.00 -0.43 3.02 -0.53 -1.34 115.26 115.68 3kws n ASN 99 Ca 0.04 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 3kws n ASN 99 Cb 0.50 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3kws n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kws n GLY 100 N 3.51 0.99 3.95 7.41 0.00 -1.26 -5.03 105.19 114.76 3kws n GLY 100 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3kws n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kws s ARG 101 N -0.03 3.42 -0.60 1.61 0.52 -0.45 -5.00 118.95 118.42 3kws s ARG 101 Ca 0.00 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 3kws s ARG 101 Cb 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.55 3kws s ARG 101 CO 0.00 0.48 2.87 -1.71 0.02 0.00 0.00 175.30 176.96 3kws n ASN 102 N -0.88 6.68 -3.84 0.23 5.15 -1.26 -4.83 115.26 116.51 3kws n ASN 102 Ca -0.08 -3.03 -0.13 0.00 -0.60 0.00 0.00 54.58 50.75 3kws n ASN 102 Cb 0.55 -1.31 -0.14 0.00 -0.53 0.00 0.00 39.78 38.35 3kws n ASN 102 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kws s ILE 103 N -1.21 -0.01 0.12 -1.44 1.01 -1.26 -4.43 121.20 113.97 3kws s ILE 103 Ca 0.60 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.35 3kws s ILE 103 Cb 0.32 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.69 3kws s ILE 103 CO -0.15 0.02 -0.13 -0.54 0.00 0.00 0.00 174.94 174.13 3kws s LYS 104 N 0.24 0.98 0.19 2.79 1.02 -0.52 -4.93 119.74 119.51 3kws s LYS 104 Ca -0.02 -1.21 -0.31 0.00 0.02 0.00 0.00 55.97 54.45 3kws s LYS 104 Cb -0.03 -0.84 -0.11 0.00 -0.52 0.00 0.00 37.83 36.34 3kws s LYS 104 CO -0.01 0.16 1.61 0.08 -0.92 0.00 0.00 175.35 176.27 3kws s VAL 105 N -2.14 2.41 0.00 3.17 1.01 -1.26 -1.23 120.40 122.36 3kws s VAL 105 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3kws s VAL 105 Cb -0.05 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3kws s VAL 105 CO 0.02 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.61 3kws n SER 106 N 3.76 0.00 -4.91 3.32 3.41 -0.37 -4.42 113.62 114.42 3kws n SER 106 Ca 0.14 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.47 3kws n SER 106 Cb 0.38 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.39 3kws n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kws s ALA 107 N -3.50 2.96 -0.18 7.33 0.00 -1.26 -1.42 121.76 125.69 3kws s ALA 107 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 3kws s ALA 107 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 3kws s ALA 107 CO 0.00 -1.28 -0.01 0.42 0.00 0.00 0.00 175.76 174.89 3kws s ILE 108 N -3.33 3.99 -0.59 0.00 -1.09 -0.19 -3.88 121.20 116.11 3kws s ILE 108 Ca 0.59 -0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.50 3kws s ILE 108 Cb -0.11 -2.78 0.08 0.00 -1.58 0.00 0.00 42.46 38.07 3kws s ILE 108 CO 0.48 0.46 0.78 0.00 -1.23 0.00 0.00 174.94 175.42 3kws n ALA 110 N 6.76 0.00 0.00 0.00 0.00 -0.86 -2.18 120.51 124.23 3kws n ALA 110 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kws n ALA 110 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3kws n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kws n GLY 111 N 0.00 0.60 3.84 0.00 0.00 -1.26 -2.36 105.19 106.01 3kws n GLY 111 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kws n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kws s PHE 112 N -2.00 3.21 0.19 1.61 -0.71 -1.26 -4.25 117.98 114.77 3kws s PHE 112 Ca 0.00 1.30 0.05 0.00 -1.04 0.00 0.00 56.93 57.25 3kws s PHE 112 Cb 0.00 -2.90 -0.04 0.00 -1.21 0.00 0.00 43.02 38.87 3kws s PHE 112 CO 0.00 -1.19 0.19 0.15 -1.34 0.00 0.00 175.22 173.03 3kws s LYS 113 N -5.13 3.02 2.16 1.99 1.02 -1.26 -5.01 119.74 116.53 3kws s LYS 113 Ca 0.58 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.70 3kws s LYS 113 Cb -0.13 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3kws s LYS 113 CO 0.54 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.85 3kws n GLY 114 N -0.65 -0.63 3.44 -3.33 0.00 -1.26 -2.57 105.19 100.19 3kws n GLY 114 Ca -0.08 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 3kws n GLY 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kws s PHE 115 N 0.00 -0.52 -0.82 1.61 -0.71 -1.25 -4.80 117.98 111.49 3kws s PHE 115 Ca 0.00 0.76 0.27 0.00 -1.04 0.00 0.00 56.93 56.92 3kws s PHE 115 Cb 0.00 0.37 0.94 0.00 -1.21 0.00 0.00 43.02 43.12 3kws s PHE 115 CO 0.00 -0.62 1.82 1.51 -1.34 0.00 0.00 175.22 176.60 3kws n ILE 116 N 0.68 0.41 -0.45 -4.49 0.13 -1.25 -3.02 119.36 111.38 3kws n ILE 116 Ca -0.19 -0.19 0.10 0.00 -1.10 0.00 0.00 62.75 61.37 3kws n ILE 116 Cb 0.59 -0.56 0.32 0.00 -0.84 0.00 0.00 39.64 39.14 3kws n ILE 116 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3kws n LEU 117 N -2.02 4.12 -4.69 9.51 4.77 -1.25 -4.84 117.00 122.59 3kws n LEU 117 Ca 0.06 -2.17 -0.40 0.00 -0.03 0.00 0.00 56.01 53.47 3kws n LEU 117 Cb 0.40 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3kws n LEU 117 CO 0.29 0.90 0.83 -0.24 -1.33 0.00 0.00 177.39 177.84 3kws n SER 118 N 1.30 2.18 0.12 -1.43 2.88 -1.17 -0.47 113.62 117.04 3kws n SER 118 Ca 0.23 1.01 0.12 0.00 -1.33 0.00 0.00 58.87 58.91 3kws n SER 118 Cb 0.70 -1.49 0.46 0.00 -0.75 0.00 0.00 64.21 63.13 3kws n SER 118 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kws n THR 119 N -0.73 0.74 -3.10 2.46 -2.24 -1.05 -4.63 114.28 105.73 3kws n THR 119 Ca 0.09 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 3kws n THR 119 Cb 0.42 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 3kws n THR 119 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kws s ASP 120 N -4.31 6.38 0.52 3.42 -1.08 -1.26 -4.96 116.67 115.38 3kws s ASP 120 Ca 0.06 -0.10 0.20 0.00 -0.52 0.00 0.00 52.55 52.19 3kws s ASP 120 Cb 0.10 -2.33 1.32 0.00 -1.46 0.00 0.00 42.92 40.56 3kws s ASP 120 CO 0.46 -0.71 2.07 -0.65 0.52 0.00 0.00 175.17 176.86 3kws h PRO 121 N 8.71 0.02 -0.53 4.34 0.11 -2.00 -0.61 132.00 142.03 3kws h PRO 121 Ca -0.26 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3kws h PRO 121 Cb 1.10 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3kws h PRO 121 CO 0.87 0.01 0.11 0.00 -0.21 0.00 0.00 178.00 178.79 3kws h ALA 122 N 1.86 1.21 -0.09 -0.75 0.00 -1.96 0.17 119.26 119.70 3kws h ALA 122 Ca 0.13 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 3kws h ALA 122 Cb 0.52 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kws h ALA 122 CO -0.00 0.54 -0.83 0.82 0.00 0.00 0.00 179.25 179.77 3kws h ILE 123 N 0.78 1.32 -0.74 0.00 2.04 -1.49 -1.41 117.51 118.01 3kws h ILE 123 Ca 0.17 -2.13 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 3kws h ILE 123 Cb 0.31 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3kws h ILE 123 CO 0.00 0.66 0.23 0.03 0.00 0.00 0.00 178.15 179.07 3kws h ARG 124 N 0.40 1.15 -0.44 2.37 3.08 -1.18 -1.67 114.38 118.09 3kws h ARG 124 Ca -0.06 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 3kws h ARG 124 Cb 1.45 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3kws h ARG 124 CO 0.16 0.98 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.78 3kws h LYS 125 N 1.10 0.74 -0.70 0.04 3.64 -0.90 -2.70 116.57 117.79 3kws h LYS 125 Ca 0.24 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3kws h LYS 125 Cb 0.31 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3kws h LYS 125 CO -0.01 0.78 0.18 1.49 -2.27 0.00 0.00 179.45 179.62 3kws h GLU 126 N 0.69 1.11 -0.17 1.90 4.57 -0.84 0.22 114.58 122.04 3kws h GLU 126 Ca 0.13 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3kws h GLU 126 Cb 0.48 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3kws h GLU 126 CO 0.02 0.97 0.00 0.00 -1.18 0.00 0.00 179.01 178.82 3kws n ASP 129 N 0.46 0.00 -1.25 0.00 8.00 0.77 -4.54 116.55 119.99 3kws n ASP 129 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kws n ASP 129 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3kws n ASP 129 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kws n THR 130 N 0.00 0.52 0.00 -3.53 -2.24 -0.11 -2.18 114.28 106.74 3kws n THR 130 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3kws n THR 130 Cb 0.00 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 3kws n THR 130 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kws n LYS 132 N 1.11 0.00 -0.22 -0.78 5.02 -1.26 -2.05 118.16 119.98 3kws n LYS 132 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3kws n LYS 132 Cb 0.20 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.25 3kws n LYS 132 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3kws h GLU 133 N 0.00 0.85 -0.39 1.97 4.81 -1.84 -1.99 114.58 117.99 3kws h GLU 133 Ca 0.00 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 3kws h GLU 133 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3kws h GLU 133 CO 0.00 0.61 -0.14 0.82 -0.73 0.00 0.00 179.01 179.56 3kws h ILE 134 N 0.85 1.28 -0.85 2.32 2.04 -1.70 -2.97 117.51 118.48 3kws h ILE 134 Ca 0.23 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.89 3kws h ILE 134 Cb -0.03 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3kws h ILE 134 CO -0.04 0.42 0.53 0.40 0.00 0.00 0.00 178.15 179.45 3kws h ILE 135 N 0.60 1.04 -0.54 -0.67 2.04 -1.79 0.23 117.51 118.41 3kws h ILE 135 Ca 0.09 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 3kws h ILE 135 Cb 0.68 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3kws h ILE 135 CO 0.05 0.18 0.02 0.00 0.00 0.00 0.00 178.15 178.40 3kws h ALA 136 N 1.40 0.72 -0.47 1.87 0.00 -1.29 0.00 119.26 121.51 3kws h ALA 136 Ca 0.37 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3kws h ALA 136 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kws h ALA 136 CO -0.17 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.42 3kws h ALA 137 N 0.96 0.65 -0.87 0.00 0.00 -1.27 -2.53 119.26 116.21 3kws h ALA 137 Ca 0.16 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3kws h ALA 137 Cb 0.50 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3kws h ALA 137 CO 0.02 0.62 0.53 0.00 0.00 0.00 0.00 179.25 180.42 3kws h ALA 138 N 0.86 1.22 -0.35 0.00 0.00 -0.29 -1.76 119.26 118.95 3kws h ALA 138 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kws h ALA 138 Cb 0.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3kws h ALA 138 CO 0.06 0.22 0.08 0.78 0.00 0.00 0.00 179.25 180.39 3kws h GLY 139 N 0.92 0.60 1.14 0.00 0.00 -0.82 -1.02 103.07 103.89 3kws h GLY 139 Ca 0.40 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.40 3kws h GLY 139 CO -0.21 0.35 0.44 0.83 0.00 0.00 0.00 176.54 177.96 3kws h GLU 140 N 0.41 0.69 -0.01 4.80 5.08 -1.00 -1.79 114.58 122.75 3kws h GLU 140 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kws h GLU 140 Cb 0.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kws h GLU 140 CO 0.00 0.45 -0.01 1.28 -1.00 0.00 0.00 179.01 179.74 3kws n LEU 141 N -4.47 0.81 -0.76 1.33 4.77 -0.71 -4.92 117.00 113.06 3kws n LEU 141 Ca 0.09 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 3kws n LEU 141 Cb 0.20 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3kws n LEU 141 CO 0.34 0.14 -0.09 0.61 -1.33 0.00 0.00 177.39 177.06 3kws n GLY 142 N 1.11 0.86 3.76 -0.72 0.00 -0.67 -4.39 105.19 105.13 3kws n GLY 142 Ca 0.21 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3kws n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kws s SER 143 N -2.84 5.53 0.56 1.61 0.15 -0.45 -4.86 113.70 113.40 3kws s SER 143 Ca 0.00 2.68 0.34 0.00 0.70 0.00 0.00 55.95 59.66 3kws s SER 143 Cb 0.00 -2.63 1.59 0.00 -1.71 0.00 0.00 66.02 63.27 3kws s SER 143 CO 0.00 -1.38 2.08 0.71 1.20 0.00 0.00 173.24 175.85 3kws h THR 144 N 1.63 0.20 0.00 6.45 1.35 -1.45 -3.43 112.91 117.67 3kws h THR 144 Ca -0.51 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3kws h THR 144 Cb 1.28 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3kws h THR 144 CO 0.58 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 3kws n GLY 145 N -0.40 2.55 3.51 5.82 0.00 -1.26 -3.87 105.19 111.54 3kws n GLY 145 Ca -0.01 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 3kws n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kws s VAL 146 N -2.00 4.69 0.19 1.61 1.01 -0.06 -1.02 120.40 124.82 3kws s VAL 146 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3kws s VAL 146 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3kws s VAL 146 CO 0.00 0.31 1.10 -0.63 0.00 0.00 0.00 175.10 175.89 3kws s ILE 147 N 1.61 3.81 -0.15 2.22 1.01 -0.07 -0.53 121.20 129.11 3kws s ILE 147 Ca 0.06 1.59 -0.08 0.00 0.00 0.00 0.00 60.65 62.23 3kws s ILE 147 Cb -0.15 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.36 3kws s ILE 147 CO 0.06 0.29 0.35 -0.51 0.00 0.00 0.00 174.94 175.12 3kws s ILE 148 N -0.34 -0.06 -0.21 2.92 2.07 -0.44 -2.02 121.20 123.12 3kws s ILE 148 Ca 0.49 0.12 -0.16 0.00 -1.41 0.00 0.00 60.65 59.69 3kws s ILE 148 Cb -0.30 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 3kws s ILE 148 CO 0.36 0.05 0.40 -0.69 -1.91 0.00 0.00 174.94 173.15 3kws s VAL 149 N 1.42 5.19 0.14 4.00 1.01 -1.26 -2.03 120.40 128.88 3kws s VAL 149 Ca -0.09 0.70 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 3kws s VAL 149 Cb -0.09 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3kws s VAL 149 CO -0.11 0.23 1.74 -0.65 0.00 0.00 0.00 175.10 176.31 3kws h PRO 150 N 7.48 0.19 -2.15 2.72 0.11 -1.96 -3.44 132.00 134.95 3kws h PRO 150 Ca -0.35 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kws h PRO 150 Cb 1.16 -0.04 -0.22 0.00 0.11 0.00 0.00 31.00 32.01 3kws h PRO 150 CO 0.71 0.12 -0.08 0.00 -0.21 0.00 0.00 178.00 178.54 3kws s ALA 151 N -6.17 -1.71 0.68 -0.75 0.00 -1.26 -3.77 121.76 108.78 3kws s ALA 151 Ca -0.13 2.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.92 3kws s ALA 151 Cb 0.11 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 3kws s ALA 151 CO 0.70 -0.46 1.06 -0.06 0.00 0.00 0.00 175.76 177.00 3kws s PHE 152 N 1.83 3.26 0.28 0.00 0.40 -1.26 -4.57 117.98 117.92 3kws s PHE 152 Ca -0.09 1.33 0.02 0.00 -0.60 0.00 0.00 56.93 57.59 3kws s PHE 152 Cb -0.07 -2.87 0.66 0.00 0.51 0.00 0.00 43.02 41.25 3kws s PHE 152 CO -0.18 -1.12 1.71 -0.91 0.70 0.00 0.00 175.22 175.42 3kws h ASN 153 N -0.63 0.37 -0.07 1.36 2.35 -1.27 -2.22 115.58 115.47 3kws h ASN 153 Ca -0.44 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3kws h ASN 153 Cb 1.21 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.69 3kws h ASN 153 CO 0.59 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 177.04 3kws n GLY 154 N -1.33 -0.17 3.48 2.83 0.00 -1.26 -4.58 105.19 104.15 3kws n GLY 154 Ca 0.20 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3kws n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kws s GLN 155 N -1.92 3.70 0.03 1.61 -0.21 -0.84 -4.94 119.66 117.08 3kws s GLN 155 Ca 0.36 -1.80 -0.02 0.00 0.02 0.00 0.00 55.36 53.92 3kws s GLN 155 Cb 0.19 -5.04 -0.02 0.00 1.00 0.00 0.00 33.01 29.13 3kws s GLN 155 CO 0.30 -1.87 0.00 0.14 -2.12 0.00 0.00 175.29 171.74 3kws s VAL 156 N 2.95 0.14 0.34 1.09 -7.23 -1.26 -4.22 120.40 112.21 3kws s VAL 156 Ca 0.38 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 59.11 3kws s VAL 156 Cb -0.03 -0.70 -0.09 0.00 0.56 0.00 0.00 36.38 36.12 3kws s VAL 156 CO -0.07 -0.64 1.16 -2.16 -0.31 0.00 0.00 175.10 173.08 3kws s PRO 157 N -2.28 4.36 0.17 4.82 0.04 -1.26 -5.09 135.00 135.76 3kws s PRO 157 Ca -0.08 1.87 0.09 0.00 0.04 0.00 0.00 61.00 62.91 3kws s PRO 157 Cb -0.04 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 3kws s PRO 157 CO -0.04 -0.06 -0.19 0.00 0.04 0.00 0.00 177.00 176.75 3kws s ALA 158 N -1.28 2.05 0.59 8.56 0.00 -1.26 -2.53 121.76 127.89 3kws s ALA 158 Ca 0.50 -1.50 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 3kws s ALA 158 Cb -0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3kws s ALA 158 CO 0.41 0.25 1.29 -0.51 0.00 0.00 0.00 175.76 177.21 3kws s LEU 159 N -2.67 3.71 0.77 0.00 1.43 0.37 -4.74 118.68 117.56 3kws s LEU 159 Ca 0.16 2.62 -0.13 0.00 -1.03 0.00 0.00 54.13 55.75 3kws s LEU 159 Cb -0.06 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.75 3kws s LEU 159 CO 0.07 -1.73 1.15 -2.16 0.23 0.00 0.00 176.35 173.91 3kws s PRO 160 N -3.17 2.01 -0.98 1.29 0.04 -1.26 -4.90 135.00 128.03 3kws s PRO 160 Ca 0.77 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 63.15 3kws s PRO 160 Cb -0.37 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.46 3kws s PRO 160 CO 0.41 -1.88 1.19 -1.58 0.04 0.00 0.00 177.00 175.18 3kws s HIS 161 N -2.40 3.15 0.00 0.56 2.46 -1.26 -4.57 115.29 113.23 3kws s HIS 161 Ca 0.68 -1.49 0.00 0.00 0.47 0.00 0.00 55.06 54.73 3kws s HIS 161 Cb -0.23 -4.30 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 3kws s HIS 161 CO 0.50 -1.49 0.00 0.25 -2.47 0.00 0.00 174.74 171.53 3kws n THR 162 N 5.42 0.00 0.00 0.89 -2.24 -1.26 -5.04 114.28 112.04 3kws n THR 162 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 3kws n THR 162 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3kws n THR 162 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3kws n GLU 164 N 0.00 0.00 -0.19 -0.78 0.28 -1.26 -1.60 120.64 117.10 3kws n GLU 164 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 3kws n GLU 164 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 3kws n GLU 164 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3kws h THR 165 N 0.00 1.26 -0.84 3.84 2.02 -1.97 -2.06 112.91 115.17 3kws h THR 165 Ca 0.00 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 66.12 3kws h THR 165 Cb 0.00 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3kws h THR 165 CO 0.00 0.38 0.55 -0.09 0.37 0.00 0.00 175.52 176.73 3kws h ARG 166 N 0.82 1.08 -0.74 6.66 2.43 -1.62 0.21 114.38 123.21 3kws h ARG 166 Ca 0.16 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3kws h ARG 166 Cb 0.50 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3kws h ARG 166 CO 0.02 0.71 0.29 -0.44 -1.51 0.00 0.00 179.97 179.05 3kws h ASP 167 N 1.11 1.03 -0.42 -3.80 3.32 -1.79 -0.69 116.42 115.19 3kws h ASP 167 Ca 0.31 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3kws h ASP 167 Cb -0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3kws h ASP 167 CO -0.08 0.92 0.18 0.15 -1.72 0.00 0.00 179.24 178.69 3kws h PHE 168 N 1.07 0.62 -0.68 4.55 3.57 -0.62 -1.29 116.94 124.15 3kws h PHE 168 Ca 0.25 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3kws h PHE 168 Cb 0.22 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 3kws h PHE 168 CO 0.02 0.53 0.40 1.25 -2.23 0.00 0.00 178.31 178.28 3kws h LEU 169 N 0.53 0.63 -0.79 0.59 5.85 -0.26 -0.76 115.31 121.10 3kws h LEU 169 Ca 0.14 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3kws h LEU 169 Cb 0.16 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3kws h LEU 169 CO -0.01 0.42 0.44 0.00 -0.34 0.00 0.00 178.44 178.94 3kws h GLU 171 N 1.09 0.81 -0.72 0.00 4.39 -0.64 0.38 114.58 119.89 3kws h GLU 171 Ca 0.28 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 3kws h GLU 171 Cb 0.03 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3kws h GLU 171 CO -0.05 1.02 0.34 1.96 -1.16 0.00 0.00 179.01 181.12 3kws h GLN 172 N 0.68 1.04 -0.13 2.33 1.08 -0.79 -2.09 115.11 117.22 3kws h GLN 172 Ca 0.07 -0.16 -0.13 0.00 -1.45 0.00 0.00 58.65 56.99 3kws h GLN 172 Cb 0.88 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 3kws h GLN 172 CO 0.08 0.82 -0.47 0.74 -0.95 0.00 0.00 178.83 179.04 3kws h PHE 173 N 1.01 0.39 -0.71 2.96 -1.00 -0.98 -2.79 116.94 115.82 3kws h PHE 173 Ca 0.25 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 3kws h PHE 173 Cb 0.13 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 3kws h PHE 173 CO 0.01 0.74 0.24 -0.97 -1.61 0.00 0.00 178.31 176.71 3kws h ASN 174 N 0.26 1.00 0.00 2.17 -1.24 -0.57 0.19 115.58 117.39 3kws h ASN 174 Ca 0.02 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.85 3kws h ASN 174 Cb 0.93 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3kws h ASN 174 CO 0.08 0.92 0.00 1.21 -1.29 0.00 0.00 177.43 178.35 3kws n GLU 175 N -4.27 0.31 0.00 6.67 2.13 -0.82 -1.41 120.64 123.25 3kws n GLU 175 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3kws n GLU 175 Cb 0.21 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.70 3kws n GLU 175 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kws n GLY 177 N 0.52 0.00 0.25 8.31 0.00 0.66 -2.47 105.19 112.46 3kws n GLY 177 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3kws n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kws h THR 178 N 0.00 1.20 -0.19 2.61 2.02 -1.48 0.90 112.91 117.98 3kws h THR 178 Ca 0.00 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3kws h THR 178 Cb 0.00 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3kws h THR 178 CO 0.00 0.22 0.05 0.15 0.37 0.00 0.00 175.52 176.31 3kws h PHE 179 N 0.79 0.31 -0.34 3.16 3.57 -1.75 -1.77 116.94 120.91 3kws h PHE 179 Ca 0.20 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3kws h PHE 179 Cb 0.08 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3kws h PHE 179 CO -0.01 0.42 0.08 0.00 -2.23 0.00 0.00 178.31 176.58 3kws h ALA 180 N 0.85 0.37 -0.80 2.41 0.00 -1.77 -1.99 119.26 118.33 3kws h ALA 180 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kws h ALA 180 Cb 0.27 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kws h ALA 180 CO 0.00 -0.32 0.53 0.00 0.00 0.00 0.00 179.25 179.46 3kws h ALA 181 N 1.25 1.45 -0.57 0.00 0.00 -0.68 -0.18 119.26 120.52 3kws h ALA 181 Ca 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kws h ALA 181 Cb 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kws h ALA 181 CO -0.20 0.50 0.38 0.37 0.00 0.00 0.00 179.25 180.30 3kws h GLN 182 N 1.07 0.70 -0.28 0.00 4.15 -0.62 -1.36 115.11 118.77 3kws h GLN 182 Ca 0.30 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3kws h GLN 182 Cb -0.09 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.44 3kws h GLN 182 CO -0.07 0.46 0.00 0.72 -1.93 0.00 0.00 178.83 178.01 3kws n HIS 183 N -4.46 0.37 -2.48 3.99 8.25 -0.39 -4.95 115.22 115.55 3kws n HIS 183 Ca 0.06 -0.18 -0.05 0.00 -0.26 0.00 0.00 57.72 57.28 3kws n HIS 183 Cb 0.08 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.20 3kws n HIS 183 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kws n GLY 184 N 1.16 0.41 0.00 -1.41 0.00 -0.45 -4.32 105.19 100.57 3kws n GLY 184 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3kws n GLY 184 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kws n THR 185 N -3.49 0.00 -4.18 2.61 5.66 -0.22 -4.81 114.28 109.86 3kws n THR 185 Ca -0.02 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.84 3kws n THR 185 Cb 0.53 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 3kws n THR 185 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kws s SER 186 N -0.17 0.60 0.05 1.09 1.04 -1.25 -3.15 113.70 111.90 3kws s SER 186 Ca 0.00 -1.43 0.04 0.00 0.48 0.00 0.00 55.95 55.04 3kws s SER 186 Cb 0.00 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3kws s SER 186 CO 0.00 -1.00 -0.03 0.68 0.98 0.00 0.00 173.24 173.87 3kws s VAL 187 N -3.80 3.87 -0.20 5.02 -7.23 0.56 -0.88 120.40 117.75 3kws s VAL 187 Ca 0.36 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3kws s VAL 187 Cb 0.04 -2.77 0.05 0.00 0.56 0.00 0.00 36.38 34.26 3kws s VAL 187 CO 0.17 0.26 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.56 3kws s ILE 188 N -1.16 1.06 0.18 -0.62 1.01 0.31 -0.80 121.20 121.18 3kws s ILE 188 Ca 0.21 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 3kws s ILE 188 Cb -0.11 -1.37 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 3kws s ILE 188 CO 0.13 -0.06 1.53 -0.36 0.00 0.00 0.00 174.94 176.17 3kws s PHE 189 N 1.63 3.06 -0.23 3.97 0.08 -0.10 -1.32 117.98 125.07 3kws s PHE 189 Ca -0.02 0.74 -0.03 0.00 0.12 0.00 0.00 56.93 57.75 3kws s PHE 189 Cb -0.17 -3.89 0.01 0.00 -0.57 0.00 0.00 43.02 38.40 3kws s PHE 189 CO -0.07 -3.17 -0.07 -2.00 -0.10 0.00 0.00 175.22 169.81 3kws s GLU 190 N 0.78 3.14 0.24 0.44 2.12 -0.86 -4.49 118.70 120.07 3kws s GLU 190 Ca 0.67 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3kws s GLU 190 Cb -0.43 -2.95 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 3kws s GLU 190 CO 0.34 -0.27 1.02 -2.14 -0.54 0.00 0.00 175.26 173.67 3kws s PRO 191 N 1.40 4.74 0.31 4.30 0.02 -1.26 -4.60 135.00 139.91 3kws s PRO 191 Ca 0.04 1.64 0.10 0.00 0.02 0.00 0.00 61.00 62.79 3kws s PRO 191 Cb -0.15 -3.25 -0.06 0.00 0.02 0.00 0.00 34.50 31.06 3kws s PRO 191 CO -0.05 0.34 -0.12 -0.51 -0.33 0.00 0.00 177.00 176.33 3kws s LEU 192 N -1.15 2.64 0.65 -5.54 1.43 -0.75 -4.64 118.68 111.32 3kws s LEU 192 Ca 0.44 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3kws s LEU 192 Cb -0.29 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3kws s LEU 192 CO 0.36 -0.16 1.05 0.54 0.23 0.00 0.00 176.35 178.37 3kws s ASN 193 N -3.54 5.91 0.53 2.29 2.20 -1.26 -4.08 114.94 116.99 3kws s ASN 193 Ca 0.31 1.33 0.34 0.00 -0.94 0.00 0.00 52.86 53.89 3kws s ASN 193 Cb 0.01 -2.28 1.49 0.00 -2.00 0.00 0.00 41.25 38.46 3kws s ASN 193 CO 0.15 -1.07 1.83 0.08 -2.94 0.00 0.00 177.10 175.15 3kws h ARG 194 N -0.46 0.04 0.00 3.55 0.11 -1.92 0.11 114.38 115.80 3kws h ARG 194 Ca -0.44 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 3kws h ARG 194 Cb 1.21 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 3kws h ARG 194 CO 0.62 0.02 -0.03 0.87 0.10 0.00 0.00 179.97 181.55 3kws h LYS 195 N 0.04 0.00 0.00 0.08 1.57 -2.02 -3.29 116.57 112.95 3kws h LYS 195 Ca 0.53 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.23 3kws h LYS 195 Cb 2.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 3kws h LYS 195 CO -0.03 0.03 -1.32 0.39 -0.57 0.00 0.00 179.45 177.95 3kws n GLU 196 N -3.19 2.60 -3.60 3.15 1.02 0.22 -4.96 120.64 115.88 3kws n GLU 196 Ca -0.01 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 3kws n GLU 196 Cb 0.24 -1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 3kws n GLU 196 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kws n PHE 198 N 0.42 0.00 -0.07 0.00 7.35 -1.26 -3.21 117.46 120.69 3kws n PHE 198 Ca -0.18 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.44 3kws n PHE 198 Cb 0.60 -0.61 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 3kws n PHE 198 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 3kws h TYR 199 N 0.00 -0.38 -3.20 -5.13 5.03 -1.95 -3.39 116.97 107.94 3kws h TYR 199 Ca -0.35 0.03 -0.51 0.00 2.58 0.00 0.00 58.73 60.49 3kws h TYR 199 Cb 1.63 0.21 -0.40 0.00 1.55 0.00 0.00 36.73 39.73 3kws h TYR 199 CO 0.01 -0.23 -0.76 -1.17 -1.32 0.00 0.00 178.16 174.69 3kws s LEU 200 N -10.53 1.04 -0.00 2.82 2.96 -1.26 -4.99 118.68 108.71 3kws s LEU 200 Ca -0.14 -0.85 0.02 0.00 -0.22 0.00 0.00 54.13 52.94 3kws s LEU 200 Cb 0.13 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.26 3kws s LEU 200 CO 0.69 -0.33 0.03 0.54 -1.32 0.00 0.00 176.35 175.97 3kws n ARG 201 N 5.09 0.19 -4.53 1.98 1.74 -1.26 -1.82 116.66 118.06 3kws n ARG 201 Ca -0.08 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 3kws n ARG 201 Cb 0.47 -1.04 -0.14 0.00 -1.02 0.00 0.00 32.46 30.74 3kws n ARG 201 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kws s GLN 202 N -2.11 1.25 0.20 5.56 -0.21 -1.26 -4.37 119.66 118.72 3kws s GLN 202 Ca -0.01 -0.93 -0.10 0.00 0.02 0.00 0.00 55.36 54.35 3kws s GLN 202 Cb 0.01 -1.36 0.13 0.00 1.00 0.00 0.00 33.01 32.78 3kws s GLN 202 CO 0.07 0.34 1.77 0.28 -2.12 0.00 0.00 175.29 175.63 3kws h VAL 203 N 4.35 1.24 -0.60 1.09 2.07 -1.94 -2.00 116.25 120.46 3kws h VAL 203 Ca -0.42 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.44 3kws h VAL 203 Cb 1.17 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3kws h VAL 203 CO 0.43 0.29 0.40 0.00 0.02 0.00 0.00 177.57 178.71 3kws h ALA 204 N 1.15 1.76 -0.05 1.67 0.00 -1.91 0.15 119.26 122.03 3kws h ALA 204 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kws h ALA 204 Cb 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kws h ALA 204 CO -0.03 0.16 -0.03 0.22 0.00 0.00 0.00 179.25 179.57 3kws h ASP 205 N 0.63 0.10 -0.98 0.00 3.58 -1.84 -1.70 116.42 116.22 3kws h ASP 205 Ca 0.25 -0.44 0.03 0.00 0.42 0.00 0.00 57.03 57.29 3kws h ASP 205 Cb 0.20 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 3kws h ASP 205 CO -0.07 0.52 0.64 0.00 -2.88 0.00 0.00 179.24 177.45 3kws h ALA 206 N 0.59 1.29 -0.52 -0.78 0.00 -0.64 -1.50 119.26 117.69 3kws h ALA 206 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3kws h ALA 206 Cb 0.48 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kws h ALA 206 CO 0.01 0.56 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 3kws h ALA 207 N 1.39 1.01 -0.45 0.00 0.00 -0.64 -1.31 119.26 119.26 3kws h ALA 207 Ca 0.38 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3kws h ALA 207 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kws h ALA 207 CO -0.11 0.61 -0.04 1.03 0.00 0.00 0.00 179.25 180.73 3kws h SER 208 N 0.82 0.82 -0.48 0.00 0.87 -0.82 0.61 113.55 115.37 3kws h SER 208 Ca 0.15 -0.33 0.08 0.00 -1.23 0.00 0.00 61.79 60.47 3kws h SER 208 Cb 0.49 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 3kws h SER 208 CO 0.02 0.95 0.08 -0.07 -0.53 0.00 0.00 176.83 177.29 3kws h LEU 209 N 0.67 -0.04 -0.60 2.23 3.38 -0.98 -0.78 115.31 119.19 3kws h LEU 209 Ca 0.12 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3kws h LEU 209 Cb 0.56 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3kws h LEU 209 CO 0.03 0.01 0.14 0.00 0.09 0.00 0.00 178.44 178.71 3kws h ARG 211 N 0.88 0.97 -0.25 0.00 2.43 -0.51 -0.63 114.38 117.27 3kws h ARG 211 Ca 0.19 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 3kws h ARG 211 Cb 0.36 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3kws h ARG 211 CO 0.00 0.73 -0.31 -0.44 -1.51 0.00 0.00 179.97 178.44 3kws h ASP 212 N 0.95 0.53 -0.07 -3.80 3.32 -0.83 -2.98 116.42 113.54 3kws h ASP 212 Ca 0.24 -0.20 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 3kws h ASP 212 Cb 0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3kws h ASP 212 CO -0.04 0.82 -0.69 0.40 -1.72 0.00 0.00 179.24 178.01 3kws h ILE 213 N 0.45 1.30 -6.05 0.35 2.04 -0.87 -3.48 117.51 111.26 3kws h ILE 213 Ca 0.05 -1.93 -0.40 0.00 1.00 0.00 0.00 64.86 63.58 3kws h ILE 213 Cb 0.77 1.90 0.08 0.00 -0.74 0.00 0.00 36.82 38.83 3kws h ILE 213 CO 0.06 0.61 -0.87 -3.20 0.00 0.00 0.00 178.15 174.75 3kws n ASN 214 N -3.93 -3.05 -3.84 1.72 5.15 -0.26 -5.00 115.26 106.04 3kws n ASN 214 Ca -0.06 -0.87 -0.22 0.00 -0.60 0.00 0.00 54.58 52.84 3kws n ASN 214 Cb 0.69 -4.00 -0.17 0.00 -0.53 0.00 0.00 39.78 35.77 3kws n ASN 214 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3kws s ASN 215 N -3.98 1.37 0.61 1.20 3.84 -1.26 -5.03 114.94 111.69 3kws s ASN 215 Ca 0.20 -0.12 0.33 0.00 0.21 0.00 0.00 52.86 53.47 3kws s ASN 215 Cb -0.06 -0.48 1.91 0.00 -0.55 0.00 0.00 41.25 42.07 3kws s ASN 215 CO 0.82 -0.13 2.22 1.55 -2.79 0.00 0.00 177.10 178.77 3kws h PRO 216 N 7.82 0.00 -0.08 0.43 0.13 -1.95 -0.92 132.00 137.44 3kws h PRO 216 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3kws h PRO 216 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kws h PRO 216 CO 0.37 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.55 3kws n GLY 217 N -1.28 -0.42 3.03 1.56 0.00 -1.26 -4.73 105.19 102.09 3kws n GLY 217 Ca -0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3kws n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kws s VAL 218 N -1.90 1.83 0.31 1.61 1.01 -0.35 -0.32 120.40 122.59 3kws s VAL 218 Ca 0.28 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kws s VAL 218 Cb 0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3kws s VAL 218 CO 0.22 0.19 0.13 0.54 0.00 0.00 0.00 175.10 176.18 3kws n ARG 219 N 4.62 0.61 -0.99 2.72 5.12 0.02 -4.71 116.66 124.05 3kws n ARG 219 Ca -0.16 -2.68 0.00 0.00 -1.93 0.00 0.00 57.85 53.08 3kws n ARG 219 Cb 0.46 1.55 0.00 0.00 -1.16 0.00 0.00 32.46 33.31 3kws n ARG 219 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kws s GLY 222 N -0.51 0.16 -0.26 0.00 0.00 -1.20 -0.43 107.32 105.08 3kws s GLY 222 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 3kws s GLY 222 CO 0.00 -0.29 -0.07 -0.35 0.00 0.00 0.00 173.10 172.39 3kws s ASP 223 N -0.57 4.37 0.47 1.64 -1.08 -1.26 -1.53 116.67 118.71 3kws s ASP 223 Ca -0.05 -1.02 0.19 0.00 -0.52 0.00 0.00 52.55 51.15 3kws s ASP 223 Cb -0.04 -1.64 1.18 0.00 -1.46 0.00 0.00 42.92 40.96 3kws s ASP 223 CO -0.00 -0.16 1.97 -0.26 0.52 0.00 0.00 175.17 177.24 3kws h PHE 224 N 7.97 0.28 0.44 -5.34 0.04 -1.30 -0.99 116.94 118.05 3kws h PHE 224 Ca -0.29 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.47 3kws h PHE 224 Cb 1.09 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 3kws h PHE 224 CO 0.59 0.12 -0.28 2.35 -0.60 0.00 0.00 178.31 180.48 3kws h TRP 225 N 0.25 -0.75 0.00 -0.55 2.91 -1.82 -2.35 115.95 113.64 3kws h TRP 225 Ca 0.30 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.31 3kws h TRP 225 Cb 0.83 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 3kws h TRP 225 CO -0.00 -0.43 0.00 0.72 -1.03 0.00 0.00 178.44 177.70 3kws n HIS 226 N -5.42 0.00 0.00 2.65 8.25 -0.38 -4.05 115.22 116.28 3kws n HIS 226 Ca -0.11 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 3kws n HIS 226 Cb 0.32 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3kws n HIS 226 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kws n THR 228 N 1.27 0.00 0.00 1.59 -1.04 -0.88 -2.13 114.28 113.08 3kws n THR 228 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 3kws n THR 228 Cb 0.11 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.51 3kws n THR 228 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3kws n TRP 229 N 0.00 0.57 0.29 -1.42 7.02 -1.26 -4.49 117.44 118.16 3kws n TRP 229 Ca 0.00 0.19 0.04 0.00 -1.02 0.00 0.00 57.50 56.71 3kws n TRP 229 Cb 0.00 -0.94 -0.05 0.00 -2.42 0.00 0.00 31.31 27.90 3kws n TRP 229 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3kws n GLU 230 N -2.71 3.36 -4.67 -0.99 -0.58 -0.91 -4.96 120.64 109.18 3kws n GLU 230 Ca -0.13 -0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.26 3kws n GLU 230 Cb 0.83 -0.96 -0.15 0.00 -0.57 0.00 0.00 31.44 30.60 3kws n GLU 230 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kws s GLU 231 N -1.96 3.31 0.36 3.49 0.41 -1.26 -4.87 118.70 118.18 3kws s GLU 231 Ca 0.02 -0.71 0.18 0.00 -0.41 0.00 0.00 54.97 54.04 3kws s GLU 231 Cb 0.06 -2.63 0.64 0.00 -1.78 0.00 0.00 34.13 30.42 3kws s GLU 231 CO 0.34 0.13 1.72 1.79 -0.49 0.00 0.00 175.26 178.74 3kws h THR 232 N 5.52 0.96 -3.14 3.63 1.35 -1.93 -3.43 112.91 115.88 3kws h THR 232 Ca -0.28 -1.58 -0.37 0.00 -0.55 0.00 0.00 66.41 63.62 3kws h THR 232 Cb 1.20 1.94 -0.38 0.00 -1.73 0.00 0.00 68.15 69.18 3kws h THR 232 CO 0.56 0.40 -0.71 -0.55 -0.25 0.00 0.00 175.52 174.96 3kws s SER 233 N -6.50 1.35 0.00 5.36 0.15 -1.26 -5.06 113.70 107.74 3kws s SER 233 Ca -0.00 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3kws s SER 233 Cb 0.11 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3kws s SER 233 CO 0.70 -0.28 0.16 0.47 1.20 0.00 0.00 173.24 175.49 3kws n ASP 234 N 5.30 0.48 0.00 5.45 8.00 -1.26 -1.49 116.55 133.04 3kws n ASP 234 Ca -0.04 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.11 3kws n ASP 234 Cb 0.50 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3kws n ASP 234 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kws n GLY 236 N 0.87 0.00 0.08 0.44 0.00 -1.26 -1.29 105.19 104.03 3kws n GLY 236 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3kws n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kws h ALA 237 N 0.00 0.16 -0.37 4.61 0.00 -1.70 -0.74 119.26 121.22 3kws h ALA 237 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kws h ALA 237 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kws h ALA 237 CO 0.00 -0.34 -0.20 0.74 0.00 0.00 0.00 179.25 179.46 3kws h PHE 238 N 0.16 0.80 -0.48 0.00 0.04 -1.45 -0.02 116.94 115.98 3kws h PHE 238 Ca 0.05 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3kws h PHE 238 Cb 0.01 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 3kws h PHE 238 CO -0.06 0.85 0.32 0.82 -0.60 0.00 0.00 178.31 179.64 3kws h ILE 239 N 0.63 1.13 -0.89 -0.55 2.04 -1.76 -0.07 117.51 118.04 3kws h ILE 239 Ca 0.09 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3kws h ILE 239 Cb 0.68 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3kws h ILE 239 CO 0.05 0.12 0.58 0.28 0.00 0.00 0.00 178.15 179.18 3kws h SER 240 N 0.65 1.03 -0.18 1.72 0.02 -0.81 -2.56 113.55 113.43 3kws h SER 240 Ca 0.18 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3kws h SER 240 Cb -0.07 -0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.14 3kws h SER 240 CO -0.04 0.75 -0.32 1.23 -1.14 0.00 0.00 176.83 177.31 3kws h GLY 241 N 1.21 -0.41 0.00 -3.77 0.00 -0.21 -3.45 103.07 96.44 3kws h GLY 241 Ca 0.32 0.40 0.00 0.00 0.00 0.00 0.00 47.33 48.05 3kws h GLY 241 CO -0.07 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 176.87 3kws n GLY 242 N -1.41 3.12 0.17 4.60 0.00 -0.11 -1.15 105.19 110.41 3kws n GLY 242 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3kws n GLY 242 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kws h GLU 243 N 0.00 0.00 0.00 1.61 4.11 -1.87 -1.80 114.58 116.63 3kws h GLU 243 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kws h GLU 243 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kws h GLU 243 CO 0.00 0.00 -0.37 0.66 0.07 0.00 0.00 179.01 179.37 3kws n TYR 244 N -2.39 0.00 -2.44 2.06 4.01 -0.30 -4.85 117.16 113.26 3kws n TYR 244 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3kws n TYR 244 Cb 0.16 -0.32 -0.02 0.00 -0.31 0.00 0.00 39.34 38.85 3kws n TYR 244 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3kws s LEU 245 N -3.01 3.72 -0.01 7.72 2.96 -0.68 -1.04 118.68 128.35 3kws s LEU 245 Ca 0.12 0.91 0.12 0.00 -0.22 0.00 0.00 54.13 55.05 3kws s LEU 245 Cb 0.18 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.16 3kws s LEU 245 CO 0.66 -1.24 0.36 1.67 -1.32 0.00 0.00 176.35 176.47 3kws n GLN 246 N 7.69 1.41 -3.45 1.98 -0.06 0.42 -4.88 117.38 120.50 3kws n GLN 246 Ca 0.15 -0.07 -0.12 0.00 -2.00 0.00 0.00 57.00 54.95 3kws n GLN 246 Cb 0.48 -1.20 -0.03 0.00 -4.06 0.00 0.00 30.24 25.43 3kws n GLN 246 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 3kws s HIS 247 N -2.57 -0.53 -0.00 3.69 2.46 -1.25 -4.50 115.29 112.59 3kws s HIS 247 Ca -0.01 0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.90 3kws s HIS 247 Cb 0.08 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 33.06 3kws s HIS 247 CO 0.50 -0.82 -0.01 0.08 -2.47 0.00 0.00 174.74 172.02 3kws s VAL 248 N -3.51 0.11 0.04 0.89 1.01 -0.91 -3.26 120.40 114.76 3kws s VAL 248 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3kws s VAL 248 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 3kws s VAL 248 CO -0.11 0.04 0.00 -1.00 0.00 0.00 0.00 175.10 174.03 3kws s HIS 249 N 0.06 3.03 0.02 5.22 3.76 -0.58 -0.38 115.29 126.41 3kws s HIS 249 Ca -0.00 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 3kws s HIS 249 Cb -0.02 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.05 3kws s HIS 249 CO -0.00 0.47 -0.05 0.54 -0.85 0.00 0.00 174.74 174.84 3kws s VAL 250 N -1.19 0.36 0.12 -0.90 0.11 -0.30 -0.72 120.40 117.88 3kws s VAL 250 Ca 0.22 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.43 3kws s VAL 250 Cb -0.12 -0.38 0.07 0.00 -1.53 0.00 0.00 36.38 34.42 3kws s VAL 250 CO 0.14 -0.17 0.75 0.00 -3.33 0.00 0.00 175.10 172.50 3kws s ALA 251 N -0.75 -1.63 0.72 1.54 0.00 -1.26 -1.59 121.76 118.79 3kws s ALA 251 Ca -0.05 0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 3kws s ALA 251 Cb -0.06 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.80 3kws s ALA 251 CO -0.00 -0.81 1.16 -1.54 0.00 0.00 0.00 175.76 174.57 3kws s SER 252 N -2.70 4.44 0.00 0.00 1.04 0.51 -4.65 113.70 112.34 3kws s SER 252 Ca 0.05 2.19 0.19 0.00 0.48 0.00 0.00 55.95 58.86 3kws s SER 252 Cb -0.02 -2.57 0.40 0.00 0.10 0.00 0.00 66.02 63.94 3kws s SER 252 CO -0.07 -2.09 1.33 0.54 0.98 0.00 0.00 173.24 173.93 3kws n ARG 253 N -2.76 2.41 -0.04 4.02 1.74 -1.26 -2.32 116.66 118.45 3kws n ARG 253 Ca 0.12 -2.19 -0.06 0.00 -0.77 0.00 0.00 57.85 54.96 3kws n ARG 253 Cb 0.51 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 3kws n ARG 253 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kws n LYS 254 N 1.20 0.20 -0.01 5.56 5.02 -1.26 -4.86 118.16 124.01 3kws n LYS 254 Ca 0.17 0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.51 3kws n LYS 254 Cb 0.53 -1.16 0.01 0.00 -0.02 0.00 0.00 35.03 34.39 3kws n LYS 254 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kws n ARG 255 N -2.74 0.62 -3.78 1.97 1.74 -1.26 -5.01 116.66 108.21 3kws n ARG 255 Ca -0.14 -0.96 -0.26 0.00 -0.77 0.00 0.00 57.85 55.72 3kws n ARG 255 Cb 0.65 -1.03 0.04 0.00 -1.02 0.00 0.00 32.46 31.10 3kws n ARG 255 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3kws n ARG 256 N -0.09 -5.80 -0.02 5.56 0.63 -0.98 -4.85 116.66 111.11 3kws n ARG 256 Ca 0.01 0.65 -0.05 0.00 -0.92 0.00 0.00 57.85 57.54 3kws n ARG 256 Cb 0.12 -5.48 -0.02 0.00 0.45 0.00 0.00 32.46 27.53 3kws n ARG 256 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kws n SER 257 N -2.94 0.85 -4.65 6.15 7.64 -1.26 -0.55 113.62 118.86 3kws n SER 257 Ca -0.08 0.13 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 3kws n SER 257 Cb 0.58 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.38 3kws n SER 257 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3kws s PRO 259 N -2.18 4.01 0.00 1.43 0.02 -1.26 -0.37 135.00 136.65 3kws s PRO 259 Ca -0.09 -0.32 0.00 0.00 0.02 0.00 0.00 61.00 60.61 3kws s PRO 259 Cb 0.03 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3kws s PRO 259 CO 0.12 0.26 0.00 0.41 -0.33 0.00 0.00 177.00 177.46 3kws n GLY 260 N 3.60 2.09 0.20 0.52 0.00 -1.26 -3.76 105.19 106.59 3kws n GLY 260 Ca -0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3kws n GLY 260 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kws h GLU 261 N 0.26 0.00 -0.48 1.61 5.08 -1.95 -2.23 114.58 116.87 3kws h GLU 261 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3kws h GLU 261 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3kws h GLU 261 CO 0.00 0.00 0.07 -0.25 -1.00 0.00 0.00 179.01 177.83 3kws n ASP 262 N -2.60 4.45 0.00 1.42 8.00 -1.26 -5.06 116.55 121.50 3kws n ASP 262 Ca 0.01 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.37 3kws n ASP 262 Cb 0.23 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3kws n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kws n GLY 263 N -0.21 3.52 0.17 0.44 0.00 -0.84 -2.27 105.19 105.99 3kws n GLY 263 Ca 0.30 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.48 3kws n GLY 263 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kws h ASP 264 N 0.00 0.00 0.68 1.61 3.32 -1.97 -1.15 116.42 118.91 3kws h ASP 264 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3kws h ASP 264 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kws h ASP 264 CO 0.00 0.00 -0.24 0.00 -1.72 0.00 0.00 179.24 177.28 3kws h ALA 265 N 2.16 1.12 -0.98 3.45 0.00 -1.88 -3.37 119.26 119.77 3kws h ALA 265 Ca 0.00 -0.22 -0.74 0.00 0.00 0.00 0.00 54.91 53.96 3kws h ALA 265 Cb 0.30 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 3kws h ALA 265 CO 0.00 0.30 2.04 -0.25 0.00 0.00 0.00 179.25 181.34 3kws n ASP 266 N -3.56 4.92 -3.98 0.00 8.00 -0.44 -4.60 116.55 116.90 3kws n ASP 266 Ca -0.01 -3.01 -0.30 0.00 0.71 0.00 0.00 54.79 52.18 3kws n ASP 266 Cb 0.39 -1.56 -0.16 0.00 -0.02 0.00 0.00 41.12 39.77 3kws n ASP 266 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kws s ASN 267 N 2.14 3.57 0.00 -2.24 3.84 -1.26 -4.79 114.94 116.20 3kws s ASN 267 Ca 0.43 -0.99 0.07 0.00 0.21 0.00 0.00 52.86 52.57 3kws s ASN 267 Cb 0.06 -1.22 0.16 0.00 -0.55 0.00 0.00 41.25 39.70 3kws s ASN 267 CO -0.00 -0.18 1.07 -1.22 -2.79 0.00 0.00 177.10 173.98 3kws n TYR 268 N 4.67 0.23 -0.14 0.43 4.01 -1.26 -4.79 117.16 120.31 3kws n TYR 268 Ca -0.14 -0.40 -0.08 0.00 -0.16 0.00 0.00 57.90 57.12 3kws n TYR 268 Cb 0.46 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3kws n TYR 268 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3kws h ILE 269 N 1.29 1.16 -0.54 -0.72 2.04 -1.94 0.64 117.51 119.43 3kws h ILE 269 Ca 0.00 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3kws h ILE 269 Cb 0.57 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3kws h ILE 269 CO 0.00 0.16 0.33 -1.13 0.00 0.00 0.00 178.15 177.51 3kws h ASN 270 N 0.56 0.53 -0.42 1.72 -0.73 -1.97 0.62 115.58 115.90 3kws h ASN 270 Ca 0.15 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 3kws h ASN 270 Cb 0.05 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 3kws h ASN 270 CO -0.02 0.38 0.16 1.23 -0.37 0.00 0.00 177.43 178.80 3kws h GLY 271 N 0.65 0.69 1.64 1.57 0.00 -1.74 -2.36 103.07 103.53 3kws h GLY 271 Ca 0.22 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3kws h GLY 271 CO -0.09 0.36 0.14 0.74 0.00 0.00 0.00 176.54 177.69 3kws h PHE 272 N 0.54 0.46 -0.67 5.60 0.04 -0.33 -0.51 116.94 122.07 3kws h PHE 272 Ca 0.14 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 3kws h PHE 272 Cb 0.22 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3kws h PHE 272 CO 0.00 0.36 0.22 0.87 -0.60 0.00 0.00 178.31 179.17 3kws h LYS 273 N 0.48 1.01 -0.52 1.51 1.57 -0.39 -0.72 116.57 119.52 3kws h LYS 273 Ca 0.12 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3kws h LYS 273 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kws h LYS 273 CO -0.01 0.86 0.22 0.78 -0.57 0.00 0.00 179.45 180.73 3kws h GLY 274 N 1.06 0.82 1.36 3.86 0.00 -0.76 -2.98 103.07 106.44 3kws h GLY 274 Ca 0.22 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3kws h GLY 274 CO -0.01 0.41 0.19 1.41 0.00 0.00 0.00 176.54 178.53 3kws h LEU 275 N 0.69 0.74 -2.45 3.11 3.38 -0.72 -2.19 115.31 117.88 3kws h LEU 275 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kws h LEU 275 Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kws h LEU 275 CO -0.02 0.69 0.00 0.29 0.09 0.00 0.00 178.44 179.50 3kws n LYS 276 N -4.31 0.54 0.00 1.13 5.02 -0.31 -1.30 118.16 118.93 3kws n LYS 276 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3kws n LYS 276 Cb 0.19 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3kws n LYS 276 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kws n ILE 278 N 1.04 0.00 -2.50 -0.18 -5.35 -0.82 -4.60 119.36 106.95 3kws n ILE 278 Ca 0.00 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 3kws n ILE 278 Cb 0.27 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.18 3kws n ILE 278 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kws n GLY 279 N 0.00 0.03 3.67 3.28 0.00 -0.93 -4.89 105.19 106.36 3kws n GLY 279 Ca 0.00 -0.36 -0.47 0.00 0.00 0.00 0.00 46.02 45.18 3kws n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kws n TYR 280 N -3.92 2.28 -0.58 1.61 9.36 -0.42 -4.88 117.16 120.61 3kws n TYR 280 Ca -0.08 0.13 0.04 0.00 3.32 0.00 0.00 57.90 61.32 3kws n TYR 280 Cb 0.57 -2.60 0.06 0.00 -0.63 0.00 0.00 39.34 36.74 3kws n TYR 280 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3kws n ASN 281 N 5.14 2.00 0.00 2.98 5.15 -1.26 -4.85 115.26 124.41 3kws n ASN 281 Ca 0.20 -2.44 0.00 0.00 -0.60 0.00 0.00 54.58 51.75 3kws n ASN 281 Cb 0.29 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 3kws n ASN 281 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kws n ASN 282 N -0.87 0.08 -4.81 1.20 3.02 -1.26 -5.04 115.26 107.58 3kws n ASN 282 Ca 0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.37 3kws n ASN 282 Cb 0.45 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 3kws n ASN 282 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kws s TYR 283 N 2.43 3.16 -0.30 3.10 1.51 -1.26 -4.41 117.35 121.58 3kws s TYR 283 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 3kws s TYR 283 Cb 0.00 -1.49 0.06 0.00 -0.11 0.00 0.00 41.96 40.42 3kws s TYR 283 CO 0.00 0.52 -0.02 0.08 -1.11 0.00 0.00 175.55 175.02 3kws s VAL 284 N -1.83 2.68 -0.10 0.71 1.01 -0.15 -2.14 120.40 120.58 3kws s VAL 284 Ca 0.31 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.73 3kws s VAL 284 Cb -0.10 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3kws s VAL 284 CO 0.24 -0.16 -0.16 -0.55 0.00 0.00 0.00 175.10 174.48 3kws s SER 285 N 1.21 3.84 -0.02 3.32 0.15 0.49 -0.75 113.70 121.94 3kws s SER 285 Ca -0.04 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 3kws s SER 285 Cb -0.20 -1.33 -0.05 0.00 -1.71 0.00 0.00 66.02 62.73 3kws s SER 285 CO -0.03 0.22 1.34 -0.36 1.20 0.00 0.00 173.24 175.60 3kws s PHE 286 N 0.04 2.95 -0.33 3.44 0.40 0.19 -1.15 117.98 123.52 3kws s PHE 286 Ca -0.06 0.94 -0.00 0.00 -0.60 0.00 0.00 56.93 57.21 3kws s PHE 286 Cb -0.15 -3.59 0.11 0.00 0.51 0.00 0.00 43.02 39.91 3kws s PHE 286 CO 0.05 -2.09 0.13 -2.00 0.70 0.00 0.00 175.22 172.01 3kws s GLU 287 N 2.37 0.75 0.11 0.44 2.12 -0.62 -2.16 118.70 121.72 3kws s GLU 287 Ca 0.61 -1.21 -0.26 0.00 0.36 0.00 0.00 54.97 54.47 3kws s GLU 287 Cb -0.29 -1.92 0.07 0.00 0.26 0.00 0.00 34.13 32.25 3kws s GLU 287 CO 0.25 -1.04 0.98 0.00 -0.54 0.00 0.00 175.26 174.91 3kws n GLY 289 N -0.44 0.04 3.37 0.00 0.00 0.28 -4.92 105.19 103.52 3kws n GLY 289 Ca -0.07 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 3kws n GLY 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kws n GLN 291 N 5.04 0.64 -0.17 0.00 1.13 -1.26 -5.01 117.38 117.75 3kws n GLN 291 Ca -0.14 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 3kws n GLN 291 Cb 0.52 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3kws n GLN 291 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kws n GLY 292 N 1.66 0.16 3.67 1.08 0.00 -1.26 -5.01 105.19 105.49 3kws n GLY 292 Ca -0.39 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 3kws n GLY 292 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kws s ASP 293 N -1.00 6.88 0.41 1.61 -1.08 -1.26 -4.90 116.67 117.33 3kws s ASP 293 Ca 0.00 1.90 0.07 0.00 -0.52 0.00 0.00 52.55 54.01 3kws s ASP 293 Cb 0.00 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.77 3kws s ASP 293 CO 0.00 -0.77 2.05 -0.09 0.52 0.00 0.00 175.17 176.88 3kws h ARG 294 N 8.32 0.56 0.00 4.34 2.43 -1.96 0.14 114.38 128.21 3kws h ARG 294 Ca -0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3kws h ARG 294 Cb 1.14 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3kws h ARG 294 CO 0.94 0.37 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.83 3kws h ASN 295 N 0.57 0.00 0.00 -3.80 2.35 -1.97 -1.99 115.58 110.74 3kws h ASN 295 Ca 0.17 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.52 3kws h ASN 295 Cb -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3kws h ASN 295 CO -0.04 0.03 -2.20 0.52 -1.65 0.00 0.00 177.43 174.09 3kws n VAL 296 N -3.20 1.53 0.12 2.81 0.31 0.25 -4.54 118.33 115.61 3kws n VAL 296 Ca -0.01 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3kws n VAL 296 Cb 0.21 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.20 3kws n VAL 296 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3kws h VAL 297 N -1.00 1.05 -0.03 2.52 -1.51 -0.88 -2.90 116.25 113.50 3kws h VAL 297 Ca -0.60 -2.49 -0.01 0.00 -1.23 0.00 0.00 66.70 62.37 3kws h VAL 297 Cb 1.52 2.51 -0.00 0.00 -2.13 0.00 0.00 31.29 33.20 3kws h VAL 297 CO -0.37 0.60 -0.00 0.58 -1.23 0.00 0.00 177.57 177.15 3kws h VAL 298 N 0.00 1.26 -0.42 7.19 2.07 -1.58 -1.13 116.25 123.64 3kws h VAL 298 Ca -0.01 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3kws h VAL 298 Cb 1.48 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3kws h VAL 298 CO 0.08 0.21 0.18 -0.65 0.02 0.00 0.00 177.57 177.42 3kws h PRO 299 N -0.26 0.58 -0.89 1.57 0.11 -1.77 -2.09 132.00 129.26 3kws h PRO 299 Ca 0.01 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.06 3kws h PRO 299 Cb 0.34 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.29 3kws h PRO 299 CO 0.00 0.47 0.58 0.00 -0.21 0.00 0.00 178.00 178.84 3kws h ALA 300 N 1.62 1.35 -0.12 -0.75 0.00 -1.29 -0.82 119.26 119.25 3kws h ALA 300 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kws h ALA 300 Cb 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kws h ALA 300 CO -0.02 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3kws h ALA 301 N 1.43 0.16 -0.44 0.00 0.00 -0.56 -1.51 119.26 118.34 3kws h ALA 301 Ca 0.32 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kws h ALA 301 Cb -0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kws h ALA 301 CO -0.07 -0.16 0.17 0.28 0.00 0.00 0.00 179.25 179.48 3kws h VAL 302 N -0.05 0.89 -0.28 0.00 2.07 -1.13 -1.03 116.25 116.73 3kws h VAL 302 Ca 0.03 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kws h VAL 302 Cb 0.34 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3kws h VAL 302 CO 0.01 0.07 0.12 0.50 0.02 0.00 0.00 177.57 178.28 3kws h LYS 303 N 0.36 0.25 -0.08 1.57 3.64 -1.08 -1.22 116.57 120.01 3kws h LYS 303 Ca 0.20 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3kws h LYS 303 Cb 0.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3kws h LYS 303 CO -0.19 0.17 -0.02 1.25 -2.27 0.00 0.00 179.45 178.39 3kws h LEU 304 N 0.26 -0.09 -0.97 5.20 5.85 -1.04 -0.48 115.31 124.05 3kws h LEU 304 Ca 0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3kws h LEU 304 Cb 0.06 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3kws h LEU 304 CO -0.10 -0.03 0.49 -0.07 -0.34 0.00 0.00 178.44 178.39 3kws h LEU 305 N -0.01 1.08 -0.61 2.25 3.38 -1.04 -0.47 115.31 119.89 3kws h LEU 305 Ca 0.04 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3kws h LEU 305 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kws h LEU 305 CO -0.09 0.86 0.01 0.03 0.09 0.00 0.00 178.44 179.34 3kws h ARG 306 N 1.22 1.07 -0.48 1.13 3.08 -0.95 0.92 114.38 120.38 3kws h ARG 306 Ca 0.31 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3kws h ARG 306 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3kws h ARG 306 CO -0.05 1.04 0.09 1.49 -1.07 0.00 0.00 179.97 181.47 3kws h GLU 307 N 0.98 0.78 -0.21 0.04 4.81 -0.66 -2.36 114.58 117.95 3kws h GLU 307 Ca 0.17 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3kws h GLU 307 Cb 0.55 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3kws h GLU 307 CO 0.03 0.78 -0.27 1.96 -0.73 0.00 0.00 179.01 180.78 3kws h GLN 308 N 0.66 0.41 -0.47 1.92 4.20 -0.84 -2.27 115.11 118.72 3kws h GLN 308 Ca 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3kws h GLN 308 Cb 0.37 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3kws h GLN 308 CO 0.01 0.65 0.25 2.35 -0.67 0.00 0.00 178.83 181.42 3kws h TRP 309 N 0.36 0.65 -0.19 2.96 2.91 -0.62 -1.62 115.95 120.40 3kws h TRP 309 Ca 0.05 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 3kws h TRP 309 Cb 0.66 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 3kws h TRP 309 CO 0.02 0.49 -0.20 0.93 -1.03 0.00 0.00 178.44 178.65 3kws h GLU 310 N 0.62 0.33 0.00 2.65 4.39 -1.11 -2.64 114.58 118.82 3kws h GLU 310 Ca 0.17 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 3kws h GLU 310 Cb 0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3kws h GLU 310 CO -0.03 0.53 -0.25 1.96 -1.16 0.00 0.00 179.01 180.06 3kws h GLN 311 N 0.31 0.00 0.00 2.33 4.20 -0.95 -3.52 115.11 117.48 3kws h GLN 311 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3kws h GLN 311 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3kws h GLN 311 CO 0.04 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.45