#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fey s ASN 70 N 0.00 6.33 -0.43 7.83 0.01 -1.26 -5.06 114.94 122.35 3fey s ASN 70 Ca 0.00 1.14 -0.20 0.00 -0.71 0.00 0.00 52.86 53.09 3fey s ASN 70 Cb 0.00 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.34 3fey s ASN 70 CO 0.00 -0.62 0.60 -1.58 -1.51 0.00 0.00 177.10 173.98 3fey s GLN 71 N -4.65 3.26 3.16 -0.60 2.00 -1.26 -4.96 119.66 116.61 3fey s GLN 71 Ca 0.51 -0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.43 3fey s GLN 71 Cb -0.10 -3.95 0.00 0.00 0.80 0.00 0.00 33.01 29.76 3fey s GLN 71 CO 0.44 -0.96 0.00 0.41 -0.50 0.00 0.00 175.29 174.68 3fey n GLY 72 N 5.03 2.98 1.28 2.59 0.00 -1.26 -1.66 105.19 114.16 3fey n GLY 72 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3fey n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fey n THR 73 N 0.00 1.87 -2.72 2.61 -2.24 -1.26 -4.96 114.28 107.59 3fey n THR 73 Ca 0.00 -1.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.02 3fey n THR 73 Cb 0.00 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3fey n THR 73 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fey s VAL 74 N -2.00 4.80 -1.15 2.28 1.01 -0.66 -4.43 120.40 120.25 3fey s VAL 74 Ca 0.44 1.98 -0.02 0.00 0.00 0.00 0.00 61.98 64.38 3fey s VAL 74 Cb 0.30 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3fey s VAL 74 CO 0.19 0.01 0.97 -3.20 0.00 0.00 0.00 175.10 173.06 3fey n ASN 75 N 5.05 -3.13 -4.79 3.32 5.15 -1.26 -4.37 115.26 115.24 3fey n ASN 75 Ca 0.08 -0.55 -0.34 0.00 -0.60 0.00 0.00 54.58 53.17 3fey n ASN 75 Cb 0.49 -4.75 -0.01 0.00 -0.53 0.00 0.00 39.78 34.98 3fey n ASN 75 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3fey s TRP 76 N -3.32 2.85 0.85 1.20 0.52 -1.26 -5.02 118.94 114.75 3fey s TRP 76 Ca 0.15 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.71 3fey s TRP 76 Cb -0.06 -3.14 0.10 0.00 -1.15 0.00 0.00 33.47 29.22 3fey s TRP 76 CO 0.67 -1.22 1.11 -1.54 0.02 0.00 0.00 176.95 175.99 3fey s SER 77 N -2.12 3.73 0.14 2.95 1.04 -1.26 -4.93 113.70 113.25 3fey s SER 77 Ca 0.68 1.89 -0.18 0.00 0.48 0.00 0.00 55.95 58.83 3fey s SER 77 Cb -0.19 -2.49 -0.00 0.00 0.10 0.00 0.00 66.02 63.44 3fey s SER 77 CO 0.28 -2.54 1.76 0.58 0.98 0.00 0.00 173.24 174.30 3fey h VAL 78 N -1.48 0.96 -0.68 5.02 2.07 -1.98 -2.57 116.25 117.60 3fey h VAL 78 Ca -0.45 -0.09 0.15 0.00 0.82 0.00 0.00 66.70 67.13 3fey h VAL 78 Cb 1.25 0.67 -0.11 0.00 -1.52 0.00 0.00 31.29 31.58 3fey h VAL 78 CO 0.48 0.05 0.05 0.44 0.02 0.00 0.00 177.57 178.62 3fey h ASP 79 N 0.27 -0.21 -0.25 0.57 5.19 -1.99 0.28 116.42 120.28 3fey h ASP 79 Ca 0.12 0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.72 3fey h ASP 79 Cb 0.06 0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 3fey h ASP 79 CO -0.10 -0.11 0.06 0.44 -3.12 0.00 0.00 179.24 176.41 3fey h ASP 80 N 0.16 0.03 -0.71 6.45 3.32 -1.90 -0.87 116.42 122.90 3fey h ASP 80 Ca 0.37 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.54 3fey h ASP 80 Cb 0.62 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 3fey h ASP 80 CO -0.55 0.05 0.36 0.40 -1.72 0.00 0.00 179.24 177.78 3fey h ILE 81 N 0.16 0.86 -0.43 0.35 2.04 -0.20 -0.23 117.51 120.06 3fey h ILE 81 Ca 0.11 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3fey h ILE 81 Cb 0.11 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3fey h ILE 81 CO -0.14 0.11 0.07 0.58 0.00 0.00 0.00 178.15 178.77 3fey h VAL 82 N 0.62 1.24 -0.59 1.67 2.07 -0.33 -0.04 116.25 120.89 3fey h VAL 82 Ca 0.34 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 3fey h VAL 82 Cb 0.34 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3fey h VAL 82 CO -0.26 0.31 0.00 0.11 0.02 0.00 0.00 177.57 177.75 3fey h LYS 83 N 0.57 1.04 -0.01 1.57 1.57 -0.71 -1.41 116.57 119.19 3fey h LYS 83 Ca 0.13 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 3fey h LYS 83 Cb 0.37 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3fey h LYS 83 CO 0.01 1.01 -0.65 0.78 -0.57 0.00 0.00 179.45 180.03 3fey h GLY 84 N 1.00 0.04 1.44 3.86 0.00 -0.90 -3.06 103.07 105.46 3fey h GLY 84 Ca 0.17 -0.06 -0.25 0.00 0.00 0.00 0.00 47.33 47.19 3fey h GLY 84 CO 0.03 0.05 -1.03 -2.22 0.00 0.00 0.00 176.54 173.38 3fey h ILE 85 N 0.03 1.37 -0.18 2.60 2.04 -0.90 -2.48 117.51 119.99 3fey h ILE 85 Ca -0.01 -2.45 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 3fey h ILE 85 Cb 1.16 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.71 3fey h ILE 85 CO 0.09 0.74 0.02 0.59 0.00 0.00 0.00 178.15 179.59 3fey n ASN 86 N -3.76 2.48 -4.91 1.72 3.02 -0.54 -4.81 115.26 108.47 3fey n ASN 86 Ca -0.09 -2.29 -0.28 0.00 -0.03 0.00 0.00 54.58 51.89 3fey n ASN 86 Cb 0.88 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 3fey n ASN 86 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3fey s SER 87 N -0.16 6.42 0.15 6.41 0.15 -1.16 -5.01 113.70 120.50 3fey s SER 87 Ca 0.16 0.69 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 3fey s SER 87 Cb 0.12 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.28 3fey s SER 87 CO 0.04 -0.22 1.51 0.28 1.20 0.00 0.00 173.24 176.05 3fey h SER 88 N 1.52 1.02 -2.93 5.45 0.02 -1.90 -3.43 113.55 113.29 3fey h SER 88 Ca -0.48 -0.43 -0.57 0.00 -0.84 0.00 0.00 61.79 59.47 3fey h SER 88 Cb 1.19 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 3fey h SER 88 CO 0.65 1.24 1.01 0.20 -1.14 0.00 0.00 176.83 178.80 3fey s ASN 89 N -6.79 6.64 0.59 3.07 0.01 -1.26 -4.90 114.94 112.29 3fey s ASN 89 Ca -0.11 1.53 0.32 0.00 -0.71 0.00 0.00 52.86 53.89 3fey s ASN 89 Cb 0.12 -2.54 1.83 0.00 0.41 0.00 0.00 41.25 41.07 3fey s ASN 89 CO 0.88 -1.05 2.22 -0.37 -1.51 0.00 0.00 177.10 177.27 3fey h VAL 90 N 5.88 0.42 -0.02 1.60 -1.51 -1.96 -0.83 116.25 119.83 3fey h VAL 90 Ca -0.30 -0.17 -0.16 0.00 -1.23 0.00 0.00 66.70 64.84 3fey h VAL 90 Cb 1.12 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3fey h VAL 90 CO 1.00 0.03 -0.73 -0.08 -1.23 0.00 0.00 177.57 176.57 3fey h GLU 91 N 0.00 0.16 -0.25 5.19 4.81 -1.96 0.69 114.58 123.21 3fey h GLU 91 Ca -0.00 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3fey h GLU 91 Cb 0.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3fey h GLU 91 CO 0.00 0.82 -0.03 -0.91 -0.73 0.00 0.00 179.01 178.16 3fey h ASN 92 N 0.10 0.47 -0.16 1.04 -0.26 -1.47 -2.33 115.58 112.97 3fey h ASN 92 Ca -0.02 -0.34 -0.00 0.00 -0.56 0.00 0.00 56.30 55.38 3fey h ASN 92 Cb 1.29 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 3fey h ASN 92 CO 0.11 0.70 0.08 1.56 -1.06 0.00 0.00 177.43 178.82 3fey h GLN 93 N 0.23 0.22 -0.27 0.81 4.20 -0.86 -0.70 115.11 118.74 3fey h GLN 93 Ca 0.07 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3fey h GLN 93 Cb 0.48 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3fey h GLN 93 CO 0.02 0.24 0.18 1.25 -0.67 0.00 0.00 178.83 179.86 3fey h LEU 94 N 0.14 0.25 -0.00 1.46 5.85 0.37 0.15 115.31 123.53 3fey h LEU 94 Ca 0.05 -0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.51 3fey h LEU 94 Cb 0.09 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.07 3fey h LEU 94 CO -0.01 0.18 -1.12 1.56 -0.34 0.00 0.00 178.44 178.71 3fey h GLN 95 N 0.29 0.40 -0.25 1.25 4.20 -1.05 -2.76 115.11 117.19 3fey h GLN 95 Ca 0.11 -0.54 -0.06 0.00 0.06 0.00 0.00 58.65 58.22 3fey h GLN 95 Cb 0.08 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3fey h GLN 95 CO -0.02 1.21 -0.09 0.00 -0.67 0.00 0.00 178.83 179.25 3fey h ALA 96 N 0.59 0.35 -0.72 3.87 0.00 -0.37 -1.51 119.26 121.46 3fey h ALA 96 Ca -0.12 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3fey h ALA 96 Cb 1.80 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 3fey h ALA 96 CO 0.20 0.18 0.44 1.15 0.00 0.00 0.00 179.25 181.21 3fey h THR 97 N 0.24 1.05 -0.61 0.00 2.02 -0.81 0.23 112.91 115.02 3fey h THR 97 Ca 0.06 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3fey h THR 97 Cb 0.57 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3fey h THR 97 CO 0.03 0.15 0.24 -0.61 0.37 0.00 0.00 175.52 175.70 3fey h GLN 98 N 0.84 0.89 -0.59 6.66 4.15 -1.41 -1.38 115.11 124.27 3fey h GLN 98 Ca 0.30 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 3fey h GLN 98 Cb 0.09 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3fey h GLN 98 CO -0.14 0.73 0.05 0.00 -1.93 0.00 0.00 178.83 177.55 3fey h ALA 99 N 1.38 0.99 -0.41 3.38 0.00 -0.08 -0.62 119.26 123.91 3fey h ALA 99 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3fey h ALA 99 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3fey h ALA 99 CO -0.02 0.63 0.04 0.00 0.00 0.00 0.00 179.25 179.90 3fey h ALA 100 N 1.14 0.55 -0.35 0.00 0.00 -0.59 -2.47 119.26 117.54 3fey h ALA 100 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fey h ALA 100 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fey h ALA 100 CO 0.02 0.29 0.19 -0.09 0.00 0.00 0.00 179.25 179.65 3fey h ARG 101 N 0.54 0.47 -0.10 0.00 2.43 -0.71 -0.41 114.38 116.60 3fey h ARG 101 Ca 0.12 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 3fey h ARG 101 Cb 0.41 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3fey h ARG 101 CO 0.01 0.36 -0.70 0.87 -1.51 0.00 0.00 179.97 179.00 3fey h LYS 102 N 0.48 0.46 -0.75 0.20 1.57 -0.92 -1.74 116.57 115.86 3fey h LYS 102 Ca 0.13 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3fey h LYS 102 Cb 0.02 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3fey h LYS 102 CO -0.02 0.98 0.30 -0.07 -0.57 0.00 0.00 179.45 180.07 3fey h LEU 103 N 0.32 1.04 -0.42 2.94 3.38 -0.94 -2.90 115.31 118.74 3fey h LEU 103 Ca -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3fey h LEU 103 Cb 1.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3fey h LEU 103 CO 0.12 0.93 0.00 -0.07 0.09 0.00 0.00 178.44 179.51 3fey h LEU 104 N 1.08 0.00 -3.04 1.67 3.38 -0.84 -3.19 115.31 114.37 3fey h LEU 104 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3fey h LEU 104 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fey h LEU 104 CO -0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.97 3fey n SER 105 N -2.95 3.46 -4.80 -0.43 3.41 -0.68 -4.83 113.62 106.80 3fey n SER 105 Ca 0.03 -2.41 -0.32 0.00 -0.26 0.00 0.00 58.87 55.91 3fey n SER 105 Cb 0.44 -0.38 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3fey n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fey s ARG 106 N -1.73 3.13 0.16 4.33 1.70 -1.10 -4.96 118.95 120.47 3fey s ARG 106 Ca 0.33 1.13 -0.16 0.00 -0.47 0.00 0.00 55.73 56.56 3fey s ARG 106 Cb 0.22 -2.01 0.04 0.00 -0.57 0.00 0.00 34.95 32.63 3fey s ARG 106 CO 0.14 -0.96 1.79 1.49 -1.08 0.00 0.00 175.30 176.68 3fey h GLU 107 N -0.01 0.42 -5.17 3.89 4.81 -1.92 -3.42 114.58 113.19 3fey h GLU 107 Ca -0.46 -0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 58.09 3fey h GLU 107 Cb 1.22 -0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.22 3fey h GLU 107 CO 0.57 0.28 -0.77 0.15 -0.73 0.00 0.00 179.01 178.50 3fey s LYS 108 N -6.16 3.31 -1.18 1.92 -0.14 -1.26 -4.84 119.74 111.40 3fey s LYS 108 Ca -0.13 -0.69 -0.12 0.00 -1.36 0.00 0.00 55.97 53.67 3fey s LYS 108 Cb 0.11 -2.74 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 3fey s LYS 108 CO 0.72 0.01 0.78 1.04 -0.76 0.00 0.00 175.35 177.13 3fey n GLN 109 N 4.13 -2.45 -1.62 1.68 6.02 -1.26 -4.89 117.38 118.99 3fey n GLN 109 Ca -0.19 0.58 -0.45 0.00 -0.01 0.00 0.00 57.00 56.93 3fey n GLN 109 Cb 0.52 -4.75 -0.02 0.00 1.02 0.00 0.00 30.24 27.00 3fey n GLN 109 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3fey n PRO 110 N -4.02 1.53 -1.98 -1.09 -0.04 -1.26 -4.82 135.00 123.33 3fey n PRO 110 Ca -0.15 0.54 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 3fey n PRO 110 Cb 0.62 -2.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3fey n PRO 110 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3fey n PRO 111 N 1.24 3.64 0.16 0.54 -0.04 -1.26 -4.75 135.00 134.54 3fey n PRO 111 Ca 0.11 -3.10 -0.14 0.00 -0.04 0.00 0.00 63.50 60.32 3fey n PRO 111 Cb 0.30 -2.94 -0.08 0.00 -0.04 0.00 0.00 33.50 30.75 3fey n PRO 111 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3fey h ILE 112 N 3.47 0.75 -0.91 0.52 2.04 -1.95 -2.61 117.51 118.81 3fey h ILE 112 Ca 0.57 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 66.18 3fey h ILE 112 Cb 0.52 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 3fey h ILE 112 CO 1.69 0.07 0.59 0.44 0.00 0.00 0.00 178.15 180.93 3fey h ASP 113 N -0.55 0.90 -0.24 1.72 3.32 -1.99 -1.23 116.42 118.34 3fey h ASP 113 Ca -0.04 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3fey h ASP 113 Cb 0.41 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3fey h ASP 113 CO 0.06 0.56 -0.08 0.78 -1.72 0.00 0.00 179.24 178.85 3fey h ASN 114 N 1.01 0.59 0.16 6.45 4.21 -1.92 0.21 115.58 126.29 3fey h ASN 114 Ca 0.40 -0.15 -0.24 0.00 1.21 0.00 0.00 56.30 57.52 3fey h ASN 114 Cb 0.24 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 37.30 3fey h ASN 114 CO -0.16 0.71 -0.98 0.40 -1.29 0.00 0.00 177.43 176.11 3fey h ILE 115 N 0.57 1.34 -0.02 2.81 2.04 -0.95 -2.41 117.51 120.88 3fey h ILE 115 Ca 0.11 -2.33 -0.00 0.00 1.00 0.00 0.00 64.86 63.63 3fey h ILE 115 Cb 0.47 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3fey h ILE 115 CO 0.03 0.71 0.01 0.40 0.00 0.00 0.00 178.15 179.29 3fey h ILE 116 N 0.32 1.16 0.00 -0.67 2.04 -0.97 -2.86 117.51 116.53 3fey h ILE 116 Ca -0.10 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3fey h ILE 116 Cb 1.62 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3fey h ILE 116 CO 0.18 0.13 -0.00 0.03 0.00 0.00 0.00 178.15 178.49 3fey h ARG 117 N -0.16 0.00 -0.02 2.37 3.08 -0.60 -0.95 114.38 118.11 3fey h ARG 117 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3fey h ARG 117 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3fey h ARG 117 CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3fey n ALA 118 N -2.21 2.63 -1.14 0.04 0.00 -0.91 -4.89 120.51 114.03 3fey n ALA 118 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3fey n ALA 118 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3fey n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fey n GLY 119 N 1.00 0.39 0.15 0.00 0.00 -0.36 -4.96 105.19 101.40 3fey n GLY 119 Ca 0.19 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 45.20 3fey n GLY 119 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fey h LEU 120 N 0.00 0.00 -0.28 0.99 3.38 -1.71 -3.37 115.31 114.31 3fey h LEU 120 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3fey h LEU 120 Cb 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 3fey h LEU 120 CO 0.00 0.43 -0.44 0.40 0.09 0.00 0.00 178.44 178.93 3fey h ILE 121 N 0.00 0.12 -0.72 1.22 1.08 -1.85 0.40 117.51 117.75 3fey h ILE 121 Ca -0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 3fey h ILE 121 Cb 1.34 0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3fey h ILE 121 CO 0.06 0.00 0.40 -0.65 -0.69 0.00 0.00 178.15 177.27 3fey h PRO 122 N -0.41 0.70 -0.10 2.37 0.11 -1.89 1.05 132.00 133.84 3fey h PRO 122 Ca 0.11 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 3fey h PRO 122 Cb 0.61 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3fey h PRO 122 CO -0.50 0.46 0.05 0.87 -0.21 0.00 0.00 178.00 178.68 3fey h LYS 123 N 0.72 0.14 -0.73 1.05 1.79 -1.64 0.23 116.57 118.13 3fey h LYS 123 Ca 0.33 -0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.91 3fey h LYS 123 Cb 0.25 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 3fey h LYS 123 CO -0.21 0.18 0.31 0.74 -1.08 0.00 0.00 179.45 179.39 3fey h PHE 124 N 0.06 0.54 -0.51 -1.35 0.04 0.17 -1.34 116.94 114.55 3fey h PHE 124 Ca 0.03 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.73 3fey h PHE 124 Cb 0.08 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3fey h PHE 124 CO -0.04 0.11 -0.11 0.28 -0.60 0.00 0.00 178.31 177.95 3fey h VAL 125 N 0.49 1.27 -0.43 -0.55 2.07 0.16 -2.64 116.25 116.61 3fey h VAL 125 Ca 0.39 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.76 3fey h VAL 125 Cb 0.54 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3fey h VAL 125 CO -0.36 0.43 -0.10 0.28 0.02 0.00 0.00 177.57 177.84 3fey h SER 126 N 0.85 -0.39 -0.80 0.57 0.02 0.18 -3.02 113.55 110.96 3fey h SER 126 Ca 0.14 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3fey h SER 126 Cb 0.65 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 3fey h SER 126 CO 0.04 -0.14 0.53 -0.26 -1.14 0.00 0.00 176.83 175.86 3fey h PHE 127 N 0.01 0.98 -1.08 3.45 0.04 -0.91 -0.54 116.94 118.89 3fey h PHE 127 Ca 0.21 0.02 0.29 0.00 2.80 0.00 0.00 57.97 61.29 3fey h PHE 127 Cb 0.32 -0.33 -0.09 0.00 2.20 0.00 0.00 35.95 38.05 3fey h PHE 127 CO -0.37 0.60 0.71 -0.07 -0.60 0.00 0.00 178.31 178.58 3fey h LEU 128 N 1.05 0.34 0.00 1.54 3.38 -1.38 -1.92 115.31 118.32 3fey h LEU 128 Ca 0.30 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3fey h LEU 128 Cb -0.07 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3fey h LEU 128 CO -0.07 0.05 -0.79 1.23 0.09 0.00 0.00 178.44 178.95 3fey h GLY 129 N 0.29 0.00 -7.01 0.83 0.00 -1.19 -3.43 103.07 92.57 3fey h GLY 129 Ca 0.60 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.49 3fey h GLY 129 CO -0.24 0.00 1.11 0.54 0.00 0.00 0.00 176.54 177.94 3fey n ARG 130 N -2.71 0.01 -0.18 4.80 5.12 -0.72 -4.69 116.66 118.29 3fey n ARG 130 Ca 0.01 -0.94 -0.03 0.00 -1.93 0.00 0.00 57.85 54.96 3fey n ARG 130 Cb 0.54 -2.46 0.04 0.00 -1.16 0.00 0.00 32.46 29.42 3fey n ARG 130 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3fey h THR 131 N 5.23 0.38 -0.75 0.55 2.02 -1.84 -1.70 112.91 116.80 3fey h THR 131 Ca 0.20 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.54 3fey h THR 131 Cb 0.72 0.38 -0.11 0.00 -1.74 0.00 0.00 68.15 67.39 3fey h THR 131 CO 1.73 0.00 0.17 -2.24 0.37 0.00 0.00 175.52 175.55 3fey h ASP 132 N -0.05 -0.02 -2.78 4.18 -0.00 -1.98 -3.33 116.42 112.45 3fey h ASP 132 Ca 0.26 0.15 -0.76 0.00 -0.00 0.00 0.00 57.03 56.69 3fey h ASP 132 Cb 0.45 0.21 -0.22 0.00 -0.00 0.00 0.00 39.33 39.78 3fey h ASP 132 CO -0.59 -0.06 0.91 0.00 -0.00 0.00 0.00 179.24 179.49 3fey h SER 134 N 7.22 -0.80 -0.82 0.00 0.87 -1.78 -2.09 113.55 116.14 3fey h SER 134 Ca 0.24 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 61.06 3fey h SER 134 Cb 0.90 0.43 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 3fey h SER 134 CO 1.12 -0.25 0.54 -0.65 -0.53 0.00 0.00 176.83 177.05 3fey h PRO 135 N -0.12 0.83 0.00 2.24 0.11 -1.95 -2.47 132.00 130.64 3fey h PRO 135 Ca 0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3fey h PRO 135 Cb 0.48 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3fey h PRO 135 CO -0.57 0.55 -0.07 0.97 -0.21 0.00 0.00 178.00 178.67 3fey h ILE 136 N 0.86 0.08 -0.61 4.15 2.10 -1.75 -2.52 117.51 119.82 3fey h ILE 136 Ca 0.36 -1.11 -0.10 0.00 1.08 0.00 0.00 64.86 65.10 3fey h ILE 136 Cb 0.31 2.03 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 3fey h ILE 136 CO -0.14 0.04 0.00 1.56 -1.08 0.00 0.00 178.15 178.54 3fey h GLN 137 N 0.00 1.07 -0.08 2.19 4.20 -1.24 -2.38 115.11 118.86 3fey h GLN 137 Ca -0.00 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 3fey h GLN 137 Cb 1.04 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 3fey h GLN 137 CO 0.01 1.04 -0.13 0.35 -0.67 0.00 0.00 178.83 179.43 3fey h PHE 138 N 0.97 0.29 -0.84 2.96 3.57 -1.37 0.02 116.94 122.54 3fey h PHE 138 Ca 0.17 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3fey h PHE 138 Cb 0.56 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3fey h PHE 138 CO 0.04 0.72 0.45 0.93 -2.23 0.00 0.00 178.31 178.22 3fey h GLU 139 N -0.22 1.17 -0.16 1.11 4.39 -1.52 -0.08 114.58 119.28 3fey h GLU 139 Ca 0.01 -0.14 -0.21 0.00 0.34 0.00 0.00 59.36 59.36 3fey h GLU 139 Cb 0.69 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3fey h GLU 139 CO 0.03 0.86 -0.73 1.03 -1.16 0.00 0.00 179.01 179.04 3fey h SER 140 N 1.18 0.83 -0.59 1.42 0.87 -1.40 -1.25 113.55 114.61 3fey h SER 140 Ca 0.29 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3fey h SER 140 Cb 0.04 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3fey h SER 140 CO -0.05 1.31 0.39 0.00 -0.53 0.00 0.00 176.83 177.95 3fey h ALA 141 N 0.68 0.75 -0.61 6.23 0.00 -0.68 -0.98 119.26 124.65 3fey h ALA 141 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3fey h ALA 141 Cb 1.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3fey h ALA 141 CO 0.15 0.20 0.03 2.35 0.00 0.00 0.00 179.25 181.98 3fey h TRP 142 N 0.80 1.14 0.42 0.00 2.91 -0.95 -1.26 115.95 119.02 3fey h TRP 142 Ca 0.22 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 3fey h TRP 142 Cb -0.08 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.27 3fey h TRP 142 CO -0.03 0.99 -0.20 0.00 -1.03 0.00 0.00 178.44 178.16 3fey h ALA 143 N 1.05 -0.57 -0.19 2.65 0.00 -0.86 -2.37 119.26 118.98 3fey h ALA 143 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fey h ALA 143 Cb 0.51 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3fey h ALA 143 CO 0.02 -0.78 0.06 -0.07 0.00 0.00 0.00 179.25 178.49 3fey h LEU 144 N -0.64 0.23 -0.31 0.00 3.38 -1.15 -1.10 115.31 115.72 3fey h LEU 144 Ca -0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fey h LEU 144 Cb 0.48 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3fey h LEU 144 CO 0.09 0.23 0.15 0.74 0.09 0.00 0.00 178.44 179.75 3fey h THR 145 N 0.26 0.99 -0.05 0.22 2.02 -1.12 -1.51 112.91 113.73 3fey h THR 145 Ca 0.07 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 3fey h THR 145 Cb 0.08 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3fey h THR 145 CO -0.01 0.06 -0.56 0.78 0.37 0.00 0.00 175.52 176.16 3fey h ASN 146 N 0.32 0.16 0.08 4.18 4.21 -0.79 -1.78 115.58 121.95 3fey h ASN 146 Ca 0.13 -0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 3fey h ASN 146 Cb 0.04 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3fey h ASN 146 CO -0.09 0.69 -0.04 0.40 -1.29 0.00 0.00 177.43 177.10 3fey h ILE 147 N 0.11 1.08 0.00 2.81 2.04 -1.11 -2.97 117.51 119.47 3fey h ILE 147 Ca -0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3fey h ILE 147 Cb 1.03 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3fey h ILE 147 CO 0.08 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.37 3fey n ALA 148 N -2.27 1.70 1.49 1.87 0.00 -0.58 -1.91 120.51 120.81 3fey n ALA 148 Ca -0.08 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.44 3fey n ALA 148 Cb 0.17 -1.20 0.61 0.00 0.00 0.00 0.00 19.45 19.03 3fey n ALA 148 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fey n SER 149 N -1.33 0.69 -0.26 0.00 3.41 -0.68 -4.58 113.62 110.87 3fey n SER 149 Ca 0.05 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 3fey n SER 149 Cb 0.11 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3fey n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fey n GLY 150 N 1.22 1.52 3.78 5.00 0.00 -0.80 -5.08 105.19 110.83 3fey n GLY 150 Ca 0.16 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3fey n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fey s THR 151 N 2.80 1.94 0.23 2.61 -4.23 -1.26 -4.77 115.64 112.95 3fey s THR 151 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 3fey s THR 151 Cb 0.00 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 71.29 3fey s THR 151 CO 0.00 0.00 1.88 0.28 -0.54 0.00 0.00 174.62 176.24 3fey h SER 152 N -1.69 0.93 -0.59 3.99 0.02 -1.96 -1.56 113.55 112.69 3fey h SER 152 Ca -0.48 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3fey h SER 152 Cb 1.31 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 3fey h SER 152 CO 0.54 0.65 0.20 -0.33 -1.14 0.00 0.00 176.83 176.74 3fey h GLU 153 N 1.09 0.95 -0.60 3.45 5.08 -1.99 -1.29 114.58 121.26 3fey h GLU 153 Ca 0.34 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3fey h GLU 153 Cb -0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3fey h GLU 153 CO -0.11 0.81 0.01 1.96 -1.00 0.00 0.00 179.01 180.68 3fey h GLN 154 N 0.92 1.04 -0.12 2.33 4.20 -1.63 -2.29 115.11 119.57 3fey h GLN 154 Ca 0.21 -0.32 -0.20 0.00 0.06 0.00 0.00 58.65 58.40 3fey h GLN 154 Cb 0.26 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3fey h GLN 154 CO -0.01 1.01 -0.74 1.15 -0.67 0.00 0.00 178.83 179.57 3fey h THR 155 N 0.96 1.33 -0.40 -0.54 2.02 -1.26 -3.02 112.91 112.01 3fey h THR 155 Ca 0.17 -2.05 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 3fey h THR 155 Cb 0.54 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 3fey h THR 155 CO 0.03 0.63 0.23 0.50 0.37 0.00 0.00 175.52 177.28 3fey h LYS 156 N 0.40 0.54 -0.55 6.66 3.64 -1.12 -1.28 116.57 124.86 3fey h LYS 156 Ca -0.04 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3fey h LYS 156 Cb 1.34 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3fey h LYS 156 CO 0.14 0.38 0.19 0.00 -2.27 0.00 0.00 179.45 177.90 3fey h ALA 157 N 1.71 0.72 -0.73 5.00 0.00 -1.29 0.23 119.26 124.89 3fey h ALA 157 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fey h ALA 157 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3fey h ALA 157 CO -0.03 0.36 0.39 0.28 0.00 0.00 0.00 179.25 180.25 3fey h VAL 158 N 0.76 1.23 -0.35 0.00 2.07 -1.31 -2.00 116.25 116.64 3fey h VAL 158 Ca 0.18 -0.59 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 3fey h VAL 158 Cb 0.25 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3fey h VAL 158 CO -0.01 0.26 -0.29 0.58 0.02 0.00 0.00 177.57 178.12 3fey h VAL 159 N 1.02 1.28 0.00 2.57 2.07 -0.92 -2.44 116.25 119.82 3fey h VAL 159 Ca 0.26 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3fey h VAL 159 Cb 0.06 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3fey h VAL 159 CO -0.04 0.47 0.00 0.44 0.02 0.00 0.00 177.57 178.46 3fey h ASP 160 N 0.64 0.00 0.30 0.57 3.32 -0.33 -2.19 116.42 118.73 3fey h ASP 160 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fey h ASP 160 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3fey h ASP 160 CO 0.07 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 3fey n GLY 161 N 0.18 -0.97 2.06 2.75 0.00 -0.77 -4.86 105.19 103.58 3fey n GLY 161 Ca 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 3fey n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fey n GLY 162 N 0.65 0.43 0.23 -0.02 0.00 -0.82 -4.85 105.19 100.82 3fey n GLY 162 Ca 0.13 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.37 3fey n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fey h ALA 163 N 0.05 1.16 0.61 4.61 0.00 -1.65 -3.31 119.26 120.74 3fey h ALA 163 Ca -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3fey h ALA 163 Cb 0.56 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fey h ALA 163 CO 0.07 0.27 -0.29 0.82 0.00 0.00 0.00 179.25 180.12 3fey h ILE 164 N 0.00 0.25 -1.01 0.00 2.04 -1.84 0.02 117.51 116.97 3fey h ILE 164 Ca -0.00 -0.32 0.24 0.00 1.00 0.00 0.00 64.86 65.78 3fey h ILE 164 Cb 0.58 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 3fey h ILE 164 CO 0.03 0.03 0.65 -0.65 0.00 0.00 0.00 178.15 178.21 3fey h PRO 165 N -1.07 0.44 0.13 2.37 0.11 -1.94 -1.93 132.00 130.12 3fey h PRO 165 Ca -0.08 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.73 3fey h PRO 165 Cb 0.68 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.69 3fey h PRO 165 CO 0.14 0.29 -1.24 0.00 -0.21 0.00 0.00 178.00 176.97 3fey h ALA 166 N 1.62 0.09 -0.29 -0.75 0.00 -1.59 -2.69 119.26 115.66 3fey h ALA 166 Ca 0.57 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3fey h ALA 166 Cb 1.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3fey h ALA 166 CO -0.29 0.97 -0.22 0.74 0.00 0.00 0.00 179.25 180.45 3fey h PHE 167 N 0.08 0.61 -0.56 0.00 0.04 -0.67 -2.60 116.94 113.84 3fey h PHE 167 Ca -0.13 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.41 3fey h PHE 167 Cb 1.97 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 39.95 3fey h PHE 167 CO 0.07 0.72 -0.05 0.82 -0.60 0.00 0.00 178.31 179.27 3fey h ILE 168 N 0.48 1.26 -0.86 -0.55 2.04 -1.34 -2.06 117.51 116.49 3fey h ILE 168 Ca 0.07 -1.19 0.08 0.00 1.00 0.00 0.00 64.86 64.82 3fey h ILE 168 Cb 0.64 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 3fey h ILE 168 CO 0.05 0.43 0.52 0.28 0.00 0.00 0.00 178.15 179.43 3fey h SER 169 N 0.91 0.79 0.52 1.72 0.02 -1.30 -1.65 113.55 114.56 3fey h SER 169 Ca 0.15 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3fey h SER 169 Cb 0.60 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3fey h SER 169 CO 0.04 0.48 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.00 3fey h LEU 170 N 0.91 0.00 -1.95 5.07 3.38 -1.00 -2.57 115.31 119.16 3fey h LEU 170 Ca 0.40 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.39 3fey h LEU 170 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fey h LEU 170 CO -0.21 0.14 0.37 -0.07 0.09 0.00 0.00 178.44 178.76 3fey h LEU 171 N 0.00 0.00 -1.60 1.67 3.38 -0.84 0.10 115.31 118.02 3fey h LEU 171 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fey h LEU 171 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3fey h LEU 171 CO 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.47 3fey n ALA 172 N -1.98 2.65 -1.62 1.53 0.00 -0.97 -4.85 120.51 115.28 3fey n ALA 172 Ca 0.00 -0.64 -0.44 0.00 0.00 0.00 0.00 53.44 52.37 3fey n ALA 172 Cb 0.45 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3fey n ALA 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fey n SER 173 N 0.91 1.65 0.19 0.00 2.88 0.35 -4.88 113.62 114.71 3fey n SER 173 Ca 0.14 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.99 3fey n SER 173 Cb 0.53 -1.34 0.56 0.00 -0.75 0.00 0.00 64.21 63.22 3fey n SER 173 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3fey h PRO 174 N 2.08 0.00 -5.43 -1.46 0.11 -1.94 -3.41 132.00 121.96 3fey h PRO 174 Ca -0.42 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.05 3fey h PRO 174 Cb 1.33 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.29 3fey h PRO 174 CO 0.61 0.00 0.31 -1.01 -0.21 0.00 0.00 178.00 177.69 3fey s HIS 175 N -3.45 2.92 0.41 0.65 3.76 -1.26 -4.95 115.29 113.37 3fey s HIS 175 Ca 0.03 -0.26 0.18 0.00 -0.15 0.00 0.00 55.06 54.87 3fey s HIS 175 Cb 0.09 -3.80 1.10 0.00 1.11 0.00 0.00 32.58 31.09 3fey s HIS 175 CO 0.46 -1.18 1.79 0.00 -0.85 0.00 0.00 174.74 174.96 3fey h ALA 176 N 9.15 2.24 0.00 -1.40 0.00 -2.00 0.72 119.26 127.97 3fey h ALA 176 Ca -0.27 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3fey h ALA 176 Cb 1.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3fey h ALA 176 CO 1.02 -0.61 -0.33 1.12 0.00 0.00 0.00 179.25 180.45 3fey h HIS 177 N 0.40 0.00 0.04 0.00 2.07 -1.96 -1.03 115.15 114.67 3fey h HIS 177 Ca 0.56 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 58.02 3fey h HIS 177 Cb 1.43 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.42 3fey h HIS 177 CO -0.00 0.33 -0.25 0.82 -3.07 0.00 0.00 177.93 175.76 3fey h ILE 178 N 0.00 1.68 -0.63 6.12 5.03 -1.24 -2.63 117.51 125.84 3fey h ILE 178 Ca -0.00 -2.32 -0.01 0.00 -0.12 0.00 0.00 64.86 62.41 3fey h ILE 178 Cb 0.61 3.23 -0.03 0.00 -3.03 0.00 0.00 36.82 37.60 3fey h ILE 178 CO 0.04 0.62 0.37 0.77 -0.68 0.00 0.00 178.15 179.27 3fey h SER 179 N -0.75 0.76 -0.87 1.72 4.64 -1.52 -1.09 113.55 116.44 3fey h SER 179 Ca -0.04 -0.07 0.14 0.00 -0.47 0.00 0.00 61.79 61.34 3fey h SER 179 Cb 1.16 -0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 62.97 3fey h SER 179 CO 0.05 0.61 0.47 -0.08 -0.87 0.00 0.00 176.83 177.01 3fey h GLU 180 N 0.85 0.68 -0.10 4.77 4.81 -1.26 0.76 114.58 125.09 3fey h GLU 180 Ca 0.22 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3fey h GLU 180 Cb -0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3fey h GLU 180 CO -0.04 0.45 -0.31 0.37 -0.73 0.00 0.00 179.01 178.74 3fey h GLN 181 N 0.70 0.19 0.00 1.92 5.75 -0.94 -2.51 115.11 120.22 3fey h GLN 181 Ca 0.46 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.77 3fey h GLN 181 Cb 0.59 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3fey h GLN 181 CO -0.33 0.49 -0.56 0.00 -2.65 0.00 0.00 178.83 175.79 3fey h ALA 182 N 1.51 0.99 -0.13 3.38 0.00 0.30 -2.25 119.26 123.06 3fey h ALA 182 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3fey h ALA 182 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fey h ALA 182 CO 0.05 0.70 -0.03 0.28 0.00 0.00 0.00 179.25 180.24 3fey h VAL 183 N 0.00 1.29 -0.68 0.00 2.07 -0.76 -1.89 116.25 116.27 3fey h VAL 183 Ca -0.01 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3fey h VAL 183 Cb 1.04 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3fey h VAL 183 CO 0.07 0.28 0.44 -0.25 0.02 0.00 0.00 177.57 178.13 3fey h TRP 184 N -0.06 0.82 -0.30 1.57 2.91 -1.41 -0.68 115.95 118.80 3fey h TRP 184 Ca 0.03 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 3fey h TRP 184 Cb 0.46 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 3fey h TRP 184 CO 0.05 0.48 0.08 0.00 -1.03 0.00 0.00 178.44 178.02 3fey h ALA 185 N 1.28 0.40 -0.63 2.65 0.00 -1.40 -0.60 119.26 120.95 3fey h ALA 185 Ca 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3fey h ALA 185 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3fey h ALA 185 CO -0.09 0.05 0.12 -0.07 0.00 0.00 0.00 179.25 179.27 3fey h LEU 186 N 0.32 0.98 -0.70 0.00 3.38 -1.14 -0.82 115.31 117.34 3fey h LEU 186 Ca 0.09 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 57.94 3fey h LEU 186 Cb 0.28 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 3fey h LEU 186 CO 0.00 0.98 0.27 1.23 0.09 0.00 0.00 178.44 181.01 3fey h GLY 187 N 0.94 1.03 0.99 0.83 0.00 -1.03 0.25 103.07 106.08 3fey h GLY 187 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3fey h GLY 187 CO 0.01 -0.06 0.07 3.43 0.00 0.00 0.00 176.54 179.98 3fey h ASN 188 N 0.43 0.81 -0.36 0.19 2.35 -0.37 -0.50 115.58 118.14 3fey h ASN 188 Ca 0.37 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3fey h ASN 188 Cb 0.52 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3fey h ASN 188 CO -0.37 0.87 0.01 0.40 -1.65 0.00 0.00 177.43 176.69 3fey h ILE 189 N 0.71 1.26 -0.26 2.81 2.04 -0.52 -2.67 117.51 120.86 3fey h ILE 189 Ca 0.15 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 3fey h ILE 189 Cb 0.42 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3fey h ILE 189 CO 0.01 0.32 -0.19 0.00 0.00 0.00 0.00 178.15 178.30 3fey h ALA 190 N 0.87 1.19 0.00 1.87 0.00 -0.54 -2.84 119.26 119.82 3fey h ALA 190 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fey h ALA 190 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fey h ALA 190 CO 0.02 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3fey n GLY 191 N -0.53 -0.75 0.21 0.00 0.00 -0.20 -2.62 105.19 101.30 3fey n GLY 191 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3fey n GLY 191 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3fey h ASP 192 N 0.00 0.00 -2.27 1.61 3.58 -1.34 -3.49 116.42 114.50 3fey h ASP 192 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3fey h ASP 192 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3fey h ASP 192 CO 0.00 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.27 3fey n GLY 193 N 0.04 -0.44 0.24 -0.78 0.00 -1.08 -4.99 105.19 98.19 3fey n GLY 193 Ca -0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 3fey n GLY 193 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fey h SER 194 N 0.00 0.62 0.19 1.61 0.02 -1.86 -1.30 113.55 112.83 3fey h SER 194 Ca 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3fey h SER 194 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3fey h SER 194 CO 0.00 0.88 -0.09 0.58 -1.14 0.00 0.00 176.83 177.07 3fey h VAL 195 N 0.52 0.92 -0.19 2.27 2.07 -1.94 0.84 116.25 120.75 3fey h VAL 195 Ca 0.07 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 3fey h VAL 195 Cb 0.77 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3fey h VAL 195 CO 0.06 0.15 -0.13 -0.26 0.02 0.00 0.00 177.57 177.41 3fey h PHE 196 N -0.58 0.32 0.33 1.57 0.04 -1.83 0.63 116.94 117.42 3fey h PHE 196 Ca -0.03 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3fey h PHE 196 Cb 0.43 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3fey h PHE 196 CO 0.03 0.44 -0.39 -0.09 -0.60 0.00 0.00 178.31 177.70 3fey h ARG 197 N 0.29 -0.70 -0.60 1.51 2.43 -1.13 0.23 114.38 116.41 3fey h ARG 197 Ca 0.06 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 3fey h ARG 197 Cb 0.41 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 3fey h ARG 197 CO 0.02 -0.47 0.23 -0.44 -1.51 0.00 0.00 179.97 177.80 3fey h ASP 198 N -0.73 0.23 -0.87 -3.80 3.45 -0.35 -0.55 116.42 113.80 3fey h ASP 198 Ca -0.04 0.08 0.09 0.00 0.43 0.00 0.00 57.03 57.58 3fey h ASP 198 Cb 0.65 0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 39.41 3fey h ASP 198 CO -0.08 0.14 0.56 0.25 -1.57 0.00 0.00 179.24 178.54 3fey h LEU 199 N 0.41 0.79 0.35 1.55 5.85 0.52 -0.04 115.31 124.74 3fey h LEU 199 Ca 0.30 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3fey h LEU 199 Cb 0.36 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3fey h LEU 199 CO -0.30 0.48 -0.17 0.58 -0.34 0.00 0.00 178.44 178.69 3fey h VAL 200 N 0.88 0.55 -0.83 1.05 2.07 0.96 -2.98 116.25 117.96 3fey h VAL 200 Ca 0.40 -0.65 0.20 0.00 0.82 0.00 0.00 66.70 67.47 3fey h VAL 200 Cb 0.36 0.83 -0.13 0.00 -1.52 0.00 0.00 31.29 30.84 3fey h VAL 200 CO -0.16 0.11 0.23 0.40 0.02 0.00 0.00 177.57 178.16 3fey h ILE 201 N -0.88 0.41 -0.00 4.57 2.04 -0.86 -2.28 117.51 120.50 3fey h ILE 201 Ca -0.05 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3fey h ILE 201 Cb 0.53 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3fey h ILE 201 CO 0.08 0.05 -0.45 0.50 0.00 0.00 0.00 178.15 178.32 3fey h LYS 202 N 0.25 0.00 0.00 2.37 3.64 -1.03 0.12 116.57 121.92 3fey h LYS 202 Ca 0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3fey h LYS 202 Cb 0.95 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3fey h LYS 202 CO -0.59 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 177.71 3fey n TYR 203 N -4.00 0.00 -1.90 1.91 4.02 -0.87 -4.86 117.16 111.46 3fey n TYR 203 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3fey n TYR 203 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3fey n TYR 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fey n GLY 204 N 0.20 0.83 0.21 2.72 0.00 0.41 -4.97 105.19 104.59 3fey n GLY 204 Ca 0.14 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3fey n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fey h ALA 205 N 0.00 1.09 0.57 4.61 0.00 -1.55 -3.37 119.26 120.61 3fey h ALA 205 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3fey h ALA 205 Cb 0.83 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3fey h ALA 205 CO 0.00 0.39 -0.27 0.28 0.00 0.00 0.00 179.25 179.65 3fey h VAL 206 N 0.00 0.22 -0.70 0.00 2.07 -1.86 -2.84 116.25 113.14 3fey h VAL 206 Ca -0.00 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.21 3fey h VAL 206 Cb 0.75 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 3fey h VAL 206 CO 0.04 0.03 -0.45 -0.78 0.02 0.00 0.00 177.57 176.43 3fey h ASP 207 N -1.09 -1.59 -0.55 0.57 -0.00 -1.96 -0.57 116.42 111.23 3fey h ASP 207 Ca -0.08 0.27 -0.04 0.00 -0.00 0.00 0.00 57.03 57.18 3fey h ASP 207 Cb 0.64 0.73 -0.03 0.00 -0.00 0.00 0.00 39.33 40.68 3fey h ASP 207 CO 0.13 -0.32 0.21 -0.65 -0.00 0.00 0.00 179.24 178.61 3fey h PRO 208 N -0.16 0.88 -0.08 0.28 0.11 -1.78 0.27 132.00 131.52 3fey h PRO 208 Ca 0.20 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3fey h PRO 208 Cb 0.55 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3fey h PRO 208 CO -0.77 0.74 0.04 -0.07 -0.21 0.00 0.00 178.00 177.73 3fey h LEU 209 N 0.86 0.10 -1.14 2.35 3.38 -1.02 -1.43 115.31 118.42 3fey h LEU 209 Ca 0.20 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3fey h LEU 209 Cb 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3fey h LEU 209 CO -0.01 0.17 -0.43 -0.07 0.09 0.00 0.00 178.44 178.20 3fey h LEU 210 N 0.02 0.01 -1.01 1.67 3.38 -0.92 -2.61 115.31 115.85 3fey h LEU 210 Ca 0.03 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3fey h LEU 210 Cb 0.10 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3fey h LEU 210 CO -0.00 0.44 0.66 0.00 0.09 0.00 0.00 178.44 179.63 3fey h ALA 211 N 1.57 1.31 0.00 1.53 0.00 0.36 -0.52 119.26 123.50 3fey h ALA 211 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fey h ALA 211 Cb 0.76 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fey h ALA 211 CO 0.06 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.85 3fey h LEU 212 N 1.32 0.00 -3.47 0.00 3.38 -0.89 -3.17 115.31 112.48 3fey h LEU 212 Ca 0.39 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.14 3fey h LEU 212 Cb -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.54 3fey h LEU 212 CO -0.10 0.00 0.08 0.18 0.09 0.00 0.00 178.44 178.68 3fey n LEU 213 N -2.74 4.66 -4.88 1.67 4.77 -0.20 -5.02 117.00 115.25 3fey n LEU 213 Ca -0.02 -3.62 -0.26 0.00 -0.03 0.00 0.00 56.01 52.08 3fey n LEU 213 Cb 0.09 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.47 3fey n LEU 213 CO 0.17 1.13 -0.15 0.00 -1.33 0.00 0.00 177.39 177.21 3fey s ALA 214 N -3.19 3.79 -0.06 -1.18 0.00 -1.20 -4.99 121.76 114.93 3fey s ALA 214 Ca 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3fey s ALA 214 Cb 0.41 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3fey s ALA 214 CO 0.04 0.51 0.00 0.28 0.00 0.00 0.00 175.76 176.58 3fey n VAL 215 N -0.50 0.00 0.00 0.00 0.31 -1.26 -4.98 118.33 111.91 3fey n VAL 215 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3fey n VAL 215 Cb 0.54 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3fey n VAL 215 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fey n SER 219 N -0.92 0.00 -4.03 4.52 3.41 -1.26 -5.16 113.62 110.18 3fey n SER 219 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 3fey n SER 219 Cb 0.46 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 3fey n SER 219 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3fey s SER 220 N 0.00 5.37 0.68 4.04 0.15 -1.26 -5.18 113.70 117.51 3fey s SER 220 Ca 0.00 -3.57 -0.03 0.00 0.70 0.00 0.00 55.95 53.05 3fey s SER 220 Cb 0.00 -1.79 0.09 0.00 -1.71 0.00 0.00 66.02 62.60 3fey s SER 220 CO 0.00 -0.19 0.96 -0.76 1.20 0.00 0.00 173.24 174.45 3fey s LEU 221 N -1.09 2.99 0.84 3.45 1.43 -1.26 -5.07 118.68 119.98 3fey s LEU 221 Ca 0.24 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 3fey s LEU 221 Cb -0.10 -2.61 0.10 0.00 0.03 0.00 0.00 46.19 43.61 3fey s LEU 221 CO -0.11 -1.64 1.14 0.00 0.23 0.00 0.00 176.35 175.97 3fey s ALA 222 N -3.12 1.83 0.02 4.21 0.00 -1.26 -4.85 121.76 118.59 3fey s ALA 222 Ca 0.62 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 3fey s ALA 222 Cb -0.08 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3fey s ALA 222 CO 0.43 -2.29 1.21 0.00 0.00 0.00 0.00 175.76 175.11 3fey n GLY 224 N -1.24 -0.92 0.13 0.00 0.00 -1.26 0.10 105.19 102.00 3fey n GLY 224 Ca -0.06 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 3fey n GLY 224 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fey h TYR 225 N 0.00 0.38 -0.28 1.61 5.03 -1.88 -0.21 116.97 121.61 3fey h TYR 225 Ca 0.56 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.77 3fey h TYR 225 Cb 1.29 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.46 3fey h TYR 225 CO -0.27 0.63 0.16 1.25 -1.32 0.00 0.00 178.16 178.61 3fey h LEU 226 N 0.02 0.35 -1.13 2.82 5.85 0.43 -1.18 115.31 122.47 3fey h LEU 226 Ca 0.04 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3fey h LEU 226 Cb 0.52 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3fey h LEU 226 CO 0.02 0.33 0.42 0.03 -0.34 0.00 0.00 178.44 178.90 3fey h ARG 227 N 0.34 1.02 -0.19 1.25 3.08 -0.90 -0.31 114.38 118.67 3fey h ARG 227 Ca 0.10 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3fey h ARG 227 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3fey h ARG 227 CO -0.02 0.74 0.02 -0.91 -1.07 0.00 0.00 179.97 178.74 3fey h ASN 228 N 1.03 0.32 -0.47 7.04 2.35 -0.70 -0.79 115.58 124.35 3fey h ASN 228 Ca 0.26 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3fey h ASN 228 Cb 0.00 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3fey h ASN 228 CO -0.05 0.51 0.22 -0.07 -1.65 0.00 0.00 177.43 176.39 3fey h LEU 229 N 0.11 0.29 -0.08 1.61 3.38 -0.81 -1.66 115.31 118.15 3fey h LEU 229 Ca 0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fey h LEU 229 Cb 0.33 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3fey h LEU 229 CO 0.01 0.21 0.02 0.74 0.09 0.00 0.00 178.44 179.50 3fey h THR 230 N 0.43 1.19 -0.45 0.22 2.02 -0.95 -0.95 112.91 114.42 3fey h THR 230 Ca 0.21 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 66.86 3fey h THR 230 Cb 0.15 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 3fey h THR 230 CO -0.17 0.17 0.16 -0.25 0.37 0.00 0.00 175.52 175.80 3fey h TRP 231 N -0.08 0.28 -0.65 3.16 7.01 -1.01 -0.33 115.95 124.34 3fey h TRP 231 Ca 0.03 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3fey h TRP 231 Cb 0.25 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 3fey h TRP 231 CO 0.01 0.10 0.28 1.15 -2.79 0.00 0.00 178.44 177.18 3fey h THR 232 N 0.33 1.22 -0.59 2.65 2.02 -1.14 -2.31 112.91 115.10 3fey h THR 232 Ca 0.21 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 3fey h THR 232 Cb 0.21 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3fey h THR 232 CO -0.22 0.27 0.09 -0.07 0.37 0.00 0.00 175.52 175.96 3fey h LEU 233 N 0.92 0.90 -1.54 2.58 3.38 -0.63 -2.50 115.31 118.42 3fey h LEU 233 Ca 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3fey h LEU 233 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fey h LEU 233 CO -0.02 0.91 -0.23 0.77 0.09 0.00 0.00 178.44 179.95 3fey h SER 234 N 0.89 0.00 0.82 -0.43 4.64 -0.54 -1.73 113.55 117.20 3fey h SER 234 Ca 0.18 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 3fey h SER 234 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3fey h SER 234 CO 0.01 0.23 -0.77 0.78 -0.87 0.00 0.00 176.83 176.21 3fey h ASN 235 N 0.00 0.00 0.83 4.97 2.35 -1.04 -2.75 115.58 119.94 3fey h ASN 235 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fey h ASN 235 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3fey h ASN 235 CO 0.03 0.77 0.00 -0.07 -1.65 0.00 0.00 177.43 176.51 3fey h LEU 236 N 0.00 0.00 -0.10 1.61 3.38 -0.98 -2.58 115.31 116.64 3fey h LEU 236 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fey h LEU 236 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3fey h LEU 236 CO 0.10 0.00 -0.55 0.00 0.09 0.00 0.00 178.44 178.08 3fey s ARG 238 N -2.92 3.12 0.01 0.00 3.52 -0.97 -4.30 118.95 117.42 3fey s ARG 238 Ca 0.13 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3fey s ARG 238 Cb 0.18 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 3fey s ARG 238 CO 0.70 0.37 0.00 0.09 -0.81 0.00 0.00 175.30 175.64 3fey n ASN 239 N -1.32 -0.10 -3.97 -2.12 5.03 -1.26 -4.77 115.26 106.76 3fey n ASN 239 Ca -0.07 0.02 -0.20 0.00 0.87 0.00 0.00 54.58 55.20 3fey n ASN 239 Cb 0.58 -0.06 -0.09 0.00 -1.02 0.00 0.00 39.78 39.19 3fey n ASN 239 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3fey s LYS 240 N -2.76 1.65 -1.09 3.52 1.02 -1.26 -4.34 119.74 116.48 3fey s LYS 240 Ca 0.00 -1.95 -0.07 0.00 0.02 0.00 0.00 55.97 53.97 3fey s LYS 240 Cb 0.00 -0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 3fey s LYS 240 CO 0.00 -0.46 0.91 0.09 -0.92 0.00 0.00 175.35 174.96 3fey n ASN 241 N -1.02 -5.68 -4.99 2.83 3.02 -1.26 -4.56 115.26 103.61 3fey n ASN 241 Ca 0.01 -0.74 -0.19 0.00 -0.03 0.00 0.00 54.58 53.62 3fey n ASN 241 Cb 0.65 -4.92 0.03 0.00 -0.61 0.00 0.00 39.78 34.92 3fey n ASN 241 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3fey s PRO 242 N -4.78 2.66 0.92 3.52 0.04 -1.26 -4.95 135.00 131.15 3fey s PRO 242 Ca 0.39 -1.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.27 3fey s PRO 242 Cb -0.06 -2.62 0.14 0.00 0.04 0.00 0.00 34.50 32.00 3fey s PRO 242 CO 0.76 -0.51 1.10 0.00 0.04 0.00 0.00 177.00 178.38 3fey s ALA 243 N -2.56 1.43 0.57 8.56 0.00 -1.26 -4.91 121.76 123.59 3fey s ALA 243 Ca 0.56 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 3fey s ALA 243 Cb -0.10 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3fey s ALA 243 CO 0.36 -2.45 1.30 -2.14 0.00 0.00 0.00 175.76 172.83 3fey s PRO 244 N -5.00 3.00 0.08 0.00 0.02 -1.26 -4.86 135.00 126.98 3fey s PRO 244 Ca 0.64 2.09 -0.37 0.00 0.02 0.00 0.00 61.00 63.38 3fey s PRO 244 Cb -0.18 -2.10 -0.17 0.00 0.02 0.00 0.00 34.50 32.07 3fey s PRO 244 CO 0.57 -1.26 1.27 -2.30 -0.33 0.00 0.00 177.00 174.95 3fey n PRO 245 N -1.31 0.93 -0.23 5.54 -0.02 -1.26 -4.82 135.00 133.82 3fey n PRO 245 Ca 0.12 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3fey n PRO 245 Cb 0.47 -1.94 0.13 0.00 -0.02 0.00 0.00 33.50 32.14 3fey n PRO 245 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3fey h ILE 246 N 3.21 0.83 -0.83 4.25 -2.65 -2.00 -1.86 117.51 118.46 3fey h ILE 246 Ca -0.48 -0.19 -0.02 0.00 1.03 0.00 0.00 64.86 65.20 3fey h ILE 246 Cb 1.35 0.23 -0.04 0.00 -2.05 0.00 0.00 36.82 36.31 3fey h ILE 246 CO 0.75 0.10 0.44 -2.24 0.03 0.00 0.00 178.15 177.22 3fey h ASP 247 N 0.55 1.04 -0.78 2.16 2.03 -1.99 -0.20 116.42 119.23 3fey h ASP 247 Ca 0.34 -0.10 0.01 0.00 -0.73 0.00 0.00 57.03 56.56 3fey h ASP 247 Cb 0.37 -0.27 -0.04 0.00 -0.83 0.00 0.00 39.33 38.57 3fey h ASP 247 CO -0.28 0.85 0.51 0.00 -1.03 0.00 0.00 179.24 179.29 3fey h ALA 248 N 1.32 1.00 -0.13 4.15 0.00 -1.73 -2.73 119.26 121.13 3fey h ALA 248 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fey h ALA 248 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3fey h ALA 248 CO -0.04 0.37 0.02 0.28 0.00 0.00 0.00 179.25 179.88 3fey h VAL 249 N 1.03 1.22 -0.32 0.00 2.07 -0.58 -0.89 116.25 118.77 3fey h VAL 249 Ca 0.29 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3fey h VAL 249 Cb -0.08 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3fey h VAL 249 CO -0.08 0.20 0.23 -0.33 0.02 0.00 0.00 177.57 177.61 3fey h GLU 250 N -0.01 0.08 0.09 1.57 4.39 -1.02 0.17 114.58 119.84 3fey h GLU 250 Ca 0.04 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.45 3fey h GLU 250 Cb 0.29 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3fey h GLU 250 CO 0.00 0.05 -1.42 0.37 -1.16 0.00 0.00 179.01 176.86 3fey h GLN 251 N 0.08 0.19 -0.44 2.33 4.15 -1.26 -3.32 115.11 116.83 3fey h GLN 251 Ca 0.15 -0.32 -0.13 0.00 0.77 0.00 0.00 58.65 59.13 3fey h GLN 251 Cb 0.49 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3fey h GLN 251 CO -0.01 1.05 -0.22 0.82 -1.93 0.00 0.00 178.83 178.53 3fey h ILE 252 N 0.05 1.27 -0.27 2.39 2.04 -0.27 -3.39 117.51 119.33 3fey h ILE 252 Ca -0.19 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.35 3fey h ILE 252 Cb 1.97 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 3fey h ILE 252 CO 0.15 0.47 -0.17 -0.07 0.00 0.00 0.00 178.15 178.54 3fey h LEU 253 N 0.75 -0.54 -1.52 1.44 3.38 -0.81 -0.60 115.31 117.41 3fey h LEU 253 Ca 0.10 0.12 0.25 0.00 0.09 0.00 0.00 57.88 58.43 3fey h LEU 253 Cb 0.80 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 3fey h LEU 253 CO 0.07 -0.20 0.66 -0.65 0.09 0.00 0.00 178.44 178.40 3fey h PRO 254 N -0.14 0.33 -0.35 1.13 0.11 -1.76 0.28 132.00 131.59 3fey h PRO 254 Ca 0.14 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 3fey h PRO 254 Cb 0.36 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3fey h PRO 254 CO -0.35 0.22 -0.32 1.15 -0.21 0.00 0.00 178.00 178.48 3fey h THR 255 N 0.34 1.28 -0.65 -1.15 2.02 -1.34 -2.79 112.91 110.62 3fey h THR 255 Ca 0.54 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 3fey h THR 255 Cb 1.47 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 3fey h THR 255 CO -0.21 0.49 0.33 -0.07 0.37 0.00 0.00 175.52 176.44 3fey h LEU 256 N 0.63 0.83 -0.55 2.58 4.07 -0.31 -0.14 115.31 122.43 3fey h LEU 256 Ca 0.06 -0.11 0.09 0.00 0.08 0.00 0.00 57.88 58.00 3fey h LEU 256 Cb 0.91 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.36 3fey h LEU 256 CO 0.08 0.71 0.14 0.58 -1.08 0.00 0.00 178.44 178.87 3fey h VAL 257 N 0.90 0.71 -0.37 1.22 2.07 -0.77 0.24 116.25 120.25 3fey h VAL 257 Ca 0.23 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.50 3fey h VAL 257 Cb 0.08 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3fey h VAL 257 CO -0.03 0.05 -0.35 -0.09 0.02 0.00 0.00 177.57 177.17 3fey h ARG 258 N 0.29 0.89 -0.02 1.57 2.43 -1.13 -2.85 114.38 115.55 3fey h ARG 258 Ca 0.28 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3fey h ARG 258 Cb 0.38 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3fey h ARG 258 CO -0.34 1.11 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.13 3fey h LEU 259 N 0.69 0.02 -1.98 3.80 3.38 -0.51 -0.17 115.31 120.55 3fey h LEU 259 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fey h LEU 259 Cb 0.94 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3fey h LEU 259 CO 0.09 0.06 0.00 0.25 0.09 0.00 0.00 178.44 178.93 3fey h LEU 260 N 0.02 0.00 -1.81 1.67 6.46 -0.29 -2.64 115.31 118.72 3fey h LEU 260 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3fey h LEU 260 Cb 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3fey h LEU 260 CO 0.00 0.00 -0.05 1.41 -0.62 0.00 0.00 178.44 179.19 3fey n HIS 261 N -2.94 0.00 -1.23 1.25 8.25 -0.09 -4.97 115.22 115.49 3fey n HIS 261 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 3fey n HIS 261 Cb 0.19 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.44 3fey n HIS 261 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fey s HIS 262 N -1.98 2.31 -0.52 4.41 5.04 -1.00 -5.00 115.29 118.54 3fey s HIS 262 Ca 0.26 1.18 0.22 0.00 -1.54 0.00 0.00 55.06 55.18 3fey s HIS 262 Cb 0.19 -3.19 -0.14 0.00 0.04 0.00 0.00 32.58 29.49 3fey s HIS 262 CO 0.32 -2.47 0.83 -0.25 -2.34 0.00 0.00 174.74 170.83 3fey n ASP 263 N -3.92 0.54 -4.68 9.88 10.43 -1.26 -4.88 116.55 122.66 3fey n ASP 263 Ca 0.07 -0.33 -0.42 0.00 2.57 0.00 0.00 54.79 56.68 3fey n ASP 263 Cb 0.56 1.19 -0.03 0.00 1.84 0.00 0.00 41.12 44.68 3fey n ASP 263 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3fey s ASP 264 N -3.92 6.89 0.25 -2.24 2.15 -1.26 -4.94 116.67 113.60 3fey s ASP 264 Ca 0.01 2.02 -0.03 0.00 0.43 0.00 0.00 52.55 54.97 3fey s ASP 264 Cb 0.14 -2.56 0.46 0.00 -0.30 0.00 0.00 42.92 40.66 3fey s ASP 264 CO 0.85 -0.71 1.77 -0.65 -0.17 0.00 0.00 175.17 176.26 3fey h PRO 265 N 7.89 0.61 -0.02 4.34 0.11 -1.99 -0.39 132.00 142.54 3fey h PRO 265 Ca -0.36 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.47 3fey h PRO 265 Cb 1.17 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.15 3fey h PRO 265 CO 0.91 0.40 -0.96 0.93 -0.21 0.00 0.00 178.00 179.07 3fey h GLU 266 N 0.62 0.60 -0.83 1.05 5.08 -1.99 -0.67 114.58 118.44 3fey h GLU 266 Ca 0.42 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3fey h GLU 266 Cb 0.54 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3fey h GLU 266 CO -0.33 1.23 0.53 0.28 -1.00 0.00 0.00 179.01 179.71 3fey h VAL 267 N 0.35 1.22 -0.37 3.13 2.07 -1.84 -2.11 116.25 118.71 3fey h VAL 267 Ca -0.10 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3fey h VAL 267 Cb 1.60 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3fey h VAL 267 CO 0.18 0.22 -0.01 -0.07 0.02 0.00 0.00 177.57 177.92 3fey h LEU 268 N 1.13 0.65 -0.11 2.57 3.38 -0.91 -0.56 115.31 121.46 3fey h LEU 268 Ca 0.30 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3fey h LEU 268 Cb -0.09 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3fey h LEU 268 CO -0.06 0.80 -0.30 0.00 0.09 0.00 0.00 178.44 178.98 3fey h ALA 269 N 0.87 -0.34 0.00 1.53 0.00 -0.93 -0.86 119.26 119.53 3fey h ALA 269 Ca 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3fey h ALA 269 Cb 0.47 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3fey h ALA 269 CO 0.02 -0.77 -0.46 -0.44 0.00 0.00 0.00 179.25 177.60 3fey h ASP 270 N -0.38 0.00 -0.44 0.00 3.32 -1.27 -1.03 116.42 116.62 3fey h ASP 270 Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3fey h ASP 270 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3fey h ASP 270 CO -0.33 0.46 -0.12 0.74 -1.72 0.00 0.00 179.24 178.27 3fey h THR 271 N 0.00 1.27 -0.38 0.35 2.02 -0.79 -1.42 112.91 113.96 3fey h THR 271 Ca -0.00 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 65.95 3fey h THR 271 Cb 1.04 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3fey h THR 271 CO 0.06 0.42 0.24 0.00 0.37 0.00 0.00 175.52 176.61 3fey h TRP 273 N 0.49 -0.03 -0.07 0.00 4.06 -1.13 0.23 115.95 119.50 3fey h TRP 273 Ca 0.15 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.16 3fey h TRP 273 Cb -0.03 0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 3fey h TRP 273 CO -0.06 -0.08 -0.24 0.00 -3.56 0.00 0.00 178.44 174.50 3fey h ALA 274 N 1.32 -0.27 -0.51 1.49 0.00 -0.49 0.17 119.26 120.97 3fey h ALA 274 Ca 0.18 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3fey h ALA 274 Cb 0.25 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3fey h ALA 274 CO -0.30 -0.72 0.34 0.82 0.00 0.00 0.00 179.25 179.38 3fey h ILE 275 N -0.34 1.01 -0.11 0.00 2.04 -0.80 -1.61 117.51 117.70 3fey h ILE 275 Ca 0.08 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 3fey h ILE 275 Cb 0.46 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3fey h ILE 275 CO -0.27 0.09 -0.63 0.77 0.00 0.00 0.00 178.15 178.12 3fey h SER 276 N 0.51 0.45 -0.61 1.72 4.64 0.15 -0.79 113.55 119.62 3fey h SER 276 Ca 0.21 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3fey h SER 276 Cb 0.20 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 3fey h SER 276 CO -0.06 0.96 0.38 1.88 -0.87 0.00 0.00 176.83 179.13 3fey h TYR 277 N 0.29 0.80 -0.10 4.77 0.05 0.02 -2.70 116.97 120.11 3fey h TYR 277 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 3fey h TYR 277 Cb 1.16 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 3fey h TYR 277 CO 0.04 0.54 -0.49 -0.07 -1.05 0.00 0.00 178.16 177.13 3fey h LEU 278 N 0.83 0.27 -0.01 3.88 3.38 -0.57 -2.74 115.31 120.35 3fey h LEU 278 Ca 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fey h LEU 278 Cb -0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3fey h LEU 278 CO -0.04 0.71 -0.04 0.35 0.09 0.00 0.00 178.44 179.51 3fey n THR 279 N -3.97 0.00 -2.82 0.22 -2.24 -0.37 -4.38 114.28 100.73 3fey n THR 279 Ca -0.02 -0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 3fey n THR 279 Cb 0.53 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3fey n THR 279 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3fey n ASP 280 N -1.40 5.17 -0.65 3.42 2.03 -1.02 -4.50 116.55 119.60 3fey n ASP 280 Ca 0.10 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.42 3fey n ASP 280 Cb 0.30 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 3fey n ASP 280 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fey n GLY 281 N 4.00 0.68 3.79 0.27 0.00 -1.26 -5.01 105.19 107.65 3fey n GLY 281 Ca 0.38 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3fey n GLY 281 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fey s PRO 282 N -0.95 0.90 0.41 1.61 0.04 -1.26 -4.67 135.00 131.08 3fey s PRO 282 Ca 0.00 0.18 0.23 0.00 0.04 0.00 0.00 61.00 61.46 3fey s PRO 282 Cb 0.00 -1.82 1.25 0.00 0.04 0.00 0.00 34.50 33.97 3fey s PRO 282 CO 0.00 -2.34 1.70 -0.91 0.04 0.00 0.00 177.00 175.49 3fey h ASN 283 N -1.60 0.36 -0.40 6.66 2.35 -1.97 0.14 115.58 121.11 3fey h ASN 283 Ca -0.49 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3fey h ASN 283 Cb 1.32 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 3fey h ASN 283 CO 0.57 -0.05 0.23 -0.33 -1.65 0.00 0.00 177.43 176.20 3fey h GLU 284 N 0.25 0.55 -0.28 0.81 3.07 -1.99 -0.61 114.58 116.38 3fey h GLU 284 Ca 0.70 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.42 3fey h GLU 284 Cb 2.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.79 3fey h GLU 284 CO -0.37 0.43 -0.15 0.00 -1.40 0.00 0.00 179.01 177.51 3fey h ARG 285 N 0.52 0.59 -0.86 2.33 2.47 -1.09 -2.55 114.38 115.79 3fey h ARG 285 Ca 0.14 -0.27 0.03 0.00 -1.26 0.00 0.00 59.98 58.63 3fey h ARG 285 Cb 0.03 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 3fey h ARG 285 CO -0.02 0.84 0.55 0.82 0.56 0.00 0.00 179.97 182.72 3fey h ILE 286 N 0.33 1.14 0.00 2.04 2.04 -1.25 -2.86 117.51 118.95 3fey h ILE 286 Ca 0.06 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3fey h ILE 286 Cb 0.67 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3fey h ILE 286 CO 0.04 0.20 -0.22 1.23 0.00 0.00 0.00 178.15 179.40 3fey h GLY 287 N 1.07 0.00 1.08 5.37 0.00 -0.81 -0.92 103.07 108.86 3fey h GLY 287 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.53 3fey h GLY 287 CO -0.12 0.00 -0.33 -0.33 0.00 0.00 0.00 176.54 175.76 3fey h MET 288 N 0.00 0.88 0.04 4.80 2.86 -1.23 -1.05 114.93 121.23 3fey h MET 288 Ca -0.00 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3fey h MET 288 Cb 0.41 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3fey h MET 288 CO 0.03 1.10 -0.02 0.28 1.06 0.00 0.00 176.91 179.36 3fey h VAL 289 N 0.69 1.14 -0.62 -2.22 2.07 -1.46 -3.19 116.25 112.65 3fey h VAL 289 Ca 0.06 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.13 3fey h VAL 289 Cb 0.92 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 3fey h VAL 289 CO 0.08 0.14 0.17 0.58 0.02 0.00 0.00 177.57 178.57 3fey h VAL 290 N -0.30 0.66 0.00 2.57 2.07 -1.18 -1.93 116.25 118.14 3fey h VAL 290 Ca -0.01 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3fey h VAL 290 Cb 0.27 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3fey h VAL 290 CO 0.01 0.06 0.00 0.11 0.02 0.00 0.00 177.57 177.76 3fey h LYS 291 N 0.31 0.00 0.00 1.57 6.56 -1.20 -1.58 116.57 122.23 3fey h LYS 291 Ca 0.33 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.85 3fey h LYS 291 Cb 0.48 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 3fey h LYS 291 CO -0.39 0.00 -0.30 0.00 -2.06 0.00 0.00 179.45 176.70 3fey h THR 292 N 0.00 0.81 0.00 -0.16 1.03 -1.34 -3.47 112.91 109.78 3fey h THR 292 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 3fey h THR 292 Cb 0.22 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 3fey h THR 292 CO 0.00 0.30 0.00 0.61 -0.01 0.00 0.00 175.52 176.42 3fey n GLY 293 N -0.02 0.77 0.15 2.99 0.00 -0.60 -4.99 105.19 103.50 3fey n GLY 293 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3fey n GLY 293 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3fey h VAL 294 N 0.00 0.00 -0.66 1.61 -1.51 -1.76 -3.37 116.25 110.56 3fey h VAL 294 Ca 0.00 -0.48 0.11 0.00 -1.23 0.00 0.00 66.70 65.10 3fey h VAL 294 Cb 0.00 1.39 -0.08 0.00 -2.13 0.00 0.00 31.29 30.47 3fey h VAL 294 CO 0.00 0.00 0.25 0.58 -1.23 0.00 0.00 177.57 177.17 3fey h VAL 295 N 0.00 0.75 -0.63 7.19 2.07 -1.87 -0.54 116.25 123.22 3fey h VAL 295 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3fey h VAL 295 Cb 0.63 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3fey h VAL 295 CO 0.00 0.08 0.39 -0.65 0.02 0.00 0.00 177.57 177.41 3fey h PRO 296 N 0.43 0.84 -0.52 1.57 0.11 -1.87 0.21 132.00 132.77 3fey h PRO 296 Ca 0.34 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 3fey h PRO 296 Cb 0.44 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3fey h PRO 296 CO -0.33 0.58 -0.12 0.37 -0.21 0.00 0.00 178.00 178.29 3fey h GLN 297 N 0.86 1.00 -0.62 1.05 5.75 -1.46 -0.14 115.11 121.55 3fey h GLN 297 Ca 0.23 -0.37 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3fey h GLN 297 Cb -0.06 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3fey h GLN 297 CO -0.05 1.05 0.37 -0.07 -2.65 0.00 0.00 178.83 177.48 3fey h LEU 298 N 0.88 0.58 -0.88 -2.39 3.38 0.07 -1.46 115.31 115.49 3fey h LEU 298 Ca 0.14 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3fey h LEU 298 Cb 0.68 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3fey h LEU 298 CO 0.05 0.40 0.06 0.58 0.09 0.00 0.00 178.44 179.62 3fey h VAL 299 N 0.71 1.24 -0.99 1.22 2.07 -0.32 -2.00 116.25 118.18 3fey h VAL 299 Ca 0.26 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.82 3fey h VAL 299 Cb 0.07 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3fey h VAL 299 CO -0.13 0.35 0.66 0.50 0.02 0.00 0.00 177.57 178.97 3fey h LYS 300 N 0.84 1.30 0.00 1.57 3.64 -0.71 -2.81 116.57 120.40 3fey h LYS 300 Ca 0.17 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3fey h LYS 300 Cb 0.41 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3fey h LYS 300 CO 0.01 0.86 0.00 1.28 -2.27 0.00 0.00 179.45 179.33 3fey n LEU 301 N -4.39 0.66 0.30 5.20 4.77 -0.58 -2.32 117.00 120.64 3fey n LEU 301 Ca 0.12 0.64 0.20 0.00 -0.03 0.00 0.00 56.01 56.93 3fey n LEU 301 Cb 0.02 -0.52 0.94 0.00 -2.33 0.00 0.00 43.42 41.52 3fey n LEU 301 CO 0.37 -0.47 1.07 -0.07 -1.33 0.00 0.00 177.39 176.96 3fey h LEU 302 N 0.00 0.00 -1.22 2.23 3.38 -1.20 -2.45 115.31 116.05 3fey h LEU 302 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fey h LEU 302 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3fey h LEU 302 CO 0.00 0.00 -0.30 0.61 0.09 0.00 0.00 178.44 178.84 3fey n GLY 303 N -0.58 0.26 3.73 0.83 0.00 -0.98 -4.88 105.19 103.57 3fey n GLY 303 Ca -0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3fey n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fey n ALA 304 N 0.33 1.75 0.39 4.61 0.00 -0.92 -4.89 120.51 121.78 3fey n ALA 304 Ca 0.11 0.31 0.14 0.00 0.00 0.00 0.00 53.44 54.00 3fey n ALA 304 Cb 0.49 -2.33 0.49 0.00 0.00 0.00 0.00 19.45 18.10 3fey n ALA 304 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fey h SER 305 N 2.52 0.00 -3.28 0.00 4.64 -1.93 -3.44 113.55 112.06 3fey h SER 305 Ca -0.49 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.25 3fey h SER 305 Cb 1.27 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.29 3fey h SER 305 CO 0.62 0.00 0.44 -1.61 -0.87 0.00 0.00 176.83 175.41 3fey s GLU 306 N -3.36 4.26 0.21 4.77 8.01 -1.26 -4.95 118.70 126.37 3fey s GLU 306 Ca 0.05 1.01 -0.07 0.00 0.01 0.00 0.00 54.97 55.97 3fey s GLU 306 Cb 0.09 -3.60 0.15 0.00 -4.31 0.00 0.00 34.13 26.46 3fey s GLU 306 CO 0.50 -0.41 1.70 1.25 0.01 0.00 0.00 175.26 178.31 3fey h LEU 307 N 8.68 1.00 -1.93 1.80 5.85 -2.00 -1.64 115.31 127.06 3fey h LEU 307 Ca -0.27 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.30 3fey h LEU 307 Cb 1.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3fey h LEU 307 CO 0.86 1.02 0.45 -0.65 -0.34 0.00 0.00 178.44 179.78 3fey h PRO 308 N 0.96 0.00 0.04 5.25 0.11 -1.98 -2.29 132.00 134.10 3fey h PRO 308 Ca 0.18 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.91 3fey h PRO 308 Cb 0.47 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.53 3fey h PRO 308 CO 0.02 0.00 -2.27 -0.89 -0.21 0.00 0.00 178.00 174.65 3fey n ILE 309 N -3.53 1.60 -0.07 4.15 5.41 -0.67 -4.32 119.36 121.93 3fey n ILE 309 Ca 0.06 -0.56 -0.07 0.00 1.00 0.00 0.00 62.75 63.18 3fey n ILE 309 Cb 0.61 -1.59 -0.01 0.00 -0.71 0.00 0.00 39.64 37.94 3fey n ILE 309 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3fey h VAL 310 N -0.10 0.70 -0.01 1.39 2.07 -1.20 -2.10 116.25 117.02 3fey h VAL 310 Ca -0.53 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3fey h VAL 310 Cb 1.90 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 3fey h VAL 310 CO -0.06 0.00 -0.33 0.74 0.02 0.00 0.00 177.57 177.94 3fey h THR 311 N -0.01 0.29 -0.17 2.57 2.02 -1.62 0.59 112.91 116.57 3fey h THR 311 Ca 0.14 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 3fey h THR 311 Cb 0.22 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3fey h THR 311 CO -0.30 0.00 -0.39 1.55 0.37 0.00 0.00 175.52 176.76 3fey h PRO 312 N -0.48 0.38 -0.29 6.66 0.13 -1.74 0.48 132.00 137.13 3fey h PRO 312 Ca 0.06 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3fey h PRO 312 Cb 0.57 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3fey h PRO 312 CO -0.28 0.71 0.10 0.00 -0.23 0.00 0.00 178.00 178.30 3fey h ALA 313 N 1.27 0.38 -0.76 -0.56 0.00 -0.55 0.17 119.26 119.20 3fey h ALA 313 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3fey h ALA 313 Cb 0.82 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3fey h ALA 313 CO 0.07 0.00 0.43 1.25 0.00 0.00 0.00 179.25 181.00 3fey h LEU 314 N 0.31 0.95 -0.69 0.00 5.85 0.28 -0.26 115.31 121.74 3fey h LEU 314 Ca 0.09 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fey h LEU 314 Cb 0.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3fey h LEU 314 CO -0.00 0.76 0.42 -0.09 -0.34 0.00 0.00 178.44 179.19 3fey h ARG 315 N 1.05 0.93 -0.26 1.25 9.65 -0.51 0.18 114.38 126.67 3fey h ARG 315 Ca 0.27 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 3fey h ARG 315 Cb 0.02 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3fey h ARG 315 CO -0.05 0.66 0.14 0.00 2.80 0.00 0.00 179.97 183.52 3fey h ALA 316 N 1.22 0.33 -0.53 2.80 0.00 -0.41 0.18 119.26 122.86 3fey h ALA 316 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3fey h ALA 316 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3fey h ALA 316 CO -0.05 -0.14 0.25 0.82 0.00 0.00 0.00 179.25 180.14 3fey h ILE 317 N 0.31 1.20 -0.54 0.00 1.08 -0.81 -0.54 117.51 118.20 3fey h ILE 317 Ca 0.09 -0.56 0.08 0.00 -0.39 0.00 0.00 64.86 64.08 3fey h ILE 317 Cb 0.06 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 3fey h ILE 317 CO -0.01 0.22 0.17 1.23 -0.69 0.00 0.00 178.15 179.07 3fey h GLY 318 N 0.71 0.71 1.60 5.37 0.00 -0.40 -2.27 103.07 108.80 3fey h GLY 318 Ca 0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 3fey h GLY 318 CO -0.02 -0.03 -0.21 3.43 0.00 0.00 0.00 176.54 179.72 3fey h ASN 319 N 0.34 0.47 -0.82 0.19 2.35 0.05 -2.97 115.58 115.18 3fey h ASN 319 Ca 0.27 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3fey h ASN 319 Cb 0.33 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3fey h ASN 319 CO -0.29 0.68 0.39 0.40 -1.65 0.00 0.00 177.43 176.96 3fey h ILE 320 N 0.42 1.26 -0.00 2.81 2.04 -0.57 -2.36 117.51 121.10 3fey h ILE 320 Ca 0.07 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3fey h ILE 320 Cb 0.60 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3fey h ILE 320 CO 0.04 0.31 0.00 1.33 0.00 0.00 0.00 178.15 179.83 3fey n VAL 321 N -4.33 0.01 1.57 1.67 0.24 -0.93 -1.46 118.33 115.10 3fey n VAL 321 Ca 0.08 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.52 3fey n VAL 321 Cb 0.14 -0.18 0.65 0.00 -1.47 0.00 0.00 33.84 32.98 3fey n VAL 321 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3fey n THR 322 N -0.66 0.00 -0.02 3.34 -2.24 -0.89 -4.65 114.28 109.16 3fey n THR 322 Ca 0.09 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3fey n THR 322 Cb 0.05 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3fey n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fey n GLY 323 N 1.18 1.14 3.91 3.38 0.00 -0.53 -4.98 105.19 109.29 3fey n GLY 323 Ca 0.18 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 3fey n GLY 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fey s THR 324 N 1.22 2.62 0.43 2.61 -4.23 -1.26 -4.86 115.64 112.16 3fey s THR 324 Ca 0.00 -0.04 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 3fey s THR 324 Cb 0.00 -3.15 0.24 0.00 1.34 0.00 0.00 72.50 70.93 3fey s THR 324 CO 0.00 -0.18 2.04 0.44 -0.54 0.00 0.00 174.62 176.39 3fey h ASP 325 N -0.65 0.32 -0.16 3.99 3.45 -1.97 0.18 116.42 121.58 3fey h ASP 325 Ca -0.45 -0.02 -0.17 0.00 0.43 0.00 0.00 57.03 56.82 3fey h ASP 325 Cb 1.30 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3fey h ASP 325 CO 0.62 0.29 -0.50 -0.33 -1.57 0.00 0.00 179.24 177.75 3fey h GLU 326 N 0.37 0.73 -0.21 3.56 3.07 -1.99 0.01 114.58 120.13 3fey h GLU 326 Ca 0.09 -0.44 -0.16 0.00 -0.50 0.00 0.00 59.36 58.36 3fey h GLU 326 Cb 0.05 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3fey h GLU 326 CO -0.01 1.06 -0.52 1.96 -1.40 0.00 0.00 179.01 180.10 3fey h GLN 327 N 0.58 0.59 -0.21 2.33 4.20 -1.70 -2.68 115.11 118.21 3fey h GLN 327 Ca 0.02 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.30 3fey h GLN 327 Cb 1.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 3fey h GLN 327 CO 0.10 0.96 -0.23 1.15 -0.67 0.00 0.00 178.83 180.15 3fey h THR 328 N 0.46 1.25 -0.00 -0.54 2.02 -0.42 -2.41 112.91 113.26 3fey h THR 328 Ca 0.02 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 3fey h THR 328 Cb 1.06 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3fey h THR 328 CO 0.10 0.36 -0.19 -0.61 0.37 0.00 0.00 175.52 175.55 3fey h GLN 329 N 0.34 0.00 -0.55 6.66 5.75 -0.68 -2.25 115.11 124.39 3fey h GLN 329 Ca 0.06 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3fey h GLN 329 Cb 0.59 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 3fey h GLN 329 CO 0.04 0.19 0.04 0.28 -2.65 0.00 0.00 178.83 176.73 3fey h VAL 330 N 0.00 1.26 -0.08 2.39 2.07 -1.13 -0.38 116.25 120.38 3fey h VAL 330 Ca -0.00 -1.05 -0.18 0.00 0.82 0.00 0.00 66.70 66.29 3fey h VAL 330 Cb 0.34 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3fey h VAL 330 CO 0.02 0.38 -0.69 -0.37 0.02 0.00 0.00 177.57 176.93 3fey h VAL 331 N 0.82 1.38 -0.14 2.57 -1.51 -1.43 -1.95 116.25 115.99 3fey h VAL 331 Ca 0.16 -2.09 -0.00 0.00 -1.23 0.00 0.00 66.70 63.53 3fey h VAL 331 Cb 0.48 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 3fey h VAL 331 CO 0.02 0.63 0.07 0.40 -1.23 0.00 0.00 177.57 177.46 3fey h ILE 332 N 0.27 1.12 -0.53 7.19 2.04 -1.36 -2.14 117.51 124.10 3fey h ILE 332 Ca -0.02 -0.34 0.15 0.00 1.00 0.00 0.00 64.86 65.65 3fey h ILE 332 Cb 1.26 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3fey h ILE 332 CO 0.12 0.11 0.41 0.44 0.00 0.00 0.00 178.15 179.22 3fey h ASP 333 N 0.10 0.00 0.02 1.72 3.32 -0.92 -0.97 116.42 119.69 3fey h ASP 333 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3fey h ASP 333 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3fey h ASP 333 CO -0.01 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.49 3fey n ALA 334 N -2.59 2.64 0.00 3.45 0.00 -0.75 -4.91 120.51 118.34 3fey n ALA 334 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3fey n ALA 334 Cb 0.63 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3fey n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fey n GLY 335 N 1.16 0.99 0.36 0.00 0.00 -0.37 -4.80 105.19 102.53 3fey n GLY 335 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3fey n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fey h ALA 336 N 0.00 1.70 0.00 4.61 0.00 -1.51 -1.88 119.26 122.18 3fey h ALA 336 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fey h ALA 336 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fey h ALA 336 CO 0.00 -0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 3fey h LEU 337 N 0.76 0.00 0.00 0.00 3.38 -1.82 -2.01 115.31 115.62 3fey h LEU 337 Ca 0.56 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.42 3fey h LEU 337 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3fey h LEU 337 CO -0.35 0.00 -0.59 0.00 0.09 0.00 0.00 178.44 177.58 3fey h ALA 338 N 2.04 0.65 0.00 1.53 0.00 -1.72 -3.23 119.26 118.53 3fey h ALA 338 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3fey h ALA 338 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3fey h ALA 338 CO 0.00 0.68 -0.64 0.28 0.00 0.00 0.00 179.25 179.56 3fey h VAL 339 N 0.00 0.68 -0.84 0.00 2.07 -1.42 -3.39 116.25 113.34 3fey h VAL 339 Ca -0.02 -2.01 0.13 0.00 0.82 0.00 0.00 66.70 65.62 3fey h VAL 339 Cb 1.42 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 33.38 3fey h VAL 339 CO 0.07 0.39 0.45 -0.26 0.02 0.00 0.00 177.57 178.24 3fey h PHE 340 N 0.00 0.80 -0.96 1.57 -1.00 -1.52 -0.80 116.94 115.04 3fey h PHE 340 Ca -0.03 0.03 0.13 0.00 2.81 0.00 0.00 57.97 60.91 3fey h PHE 340 Cb 1.37 -0.23 -0.08 0.00 3.61 0.00 0.00 35.95 40.62 3fey h PHE 340 CO 0.00 0.24 0.61 -1.35 -1.61 0.00 0.00 178.31 176.20 3fey h PRO 341 N 0.68 0.85 -0.16 1.51 0.11 -1.77 0.47 132.00 133.70 3fey h PRO 341 Ca 0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 3fey h PRO 341 Cb 0.56 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3fey h PRO 341 CO -0.32 0.56 0.01 1.03 -0.21 0.00 0.00 178.00 179.07 3fey h SER 342 N 0.88 0.28 0.01 -2.05 0.87 -1.44 -3.10 113.55 109.00 3fey h SER 342 Ca 0.48 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 3fey h SER 342 Cb 0.59 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3fey h SER 342 CO -0.25 0.51 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.04 3fey h LEU 343 N 0.04 0.57 -1.83 2.23 3.38 -0.42 -2.44 115.31 116.83 3fey h LEU 343 Ca 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3fey h LEU 343 Cb 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3fey h LEU 343 CO 0.01 0.93 0.00 -0.07 0.09 0.00 0.00 178.44 179.40 3fey h LEU 344 N 0.43 0.00 -2.96 1.67 3.38 -0.20 -2.74 115.31 114.90 3fey h LEU 344 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fey h LEU 344 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3fey h LEU 344 CO 0.08 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.96 3fey n THR 345 N -2.84 1.08 -1.91 0.22 -2.24 -1.12 -4.87 114.28 102.61 3fey n THR 345 Ca -0.01 -1.08 -0.42 0.00 -2.27 0.00 0.00 64.05 60.27 3fey n THR 345 Cb 0.18 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 3fey n THR 345 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3fey s ASN 346 N -1.11 6.59 0.09 3.42 3.84 -0.94 -4.86 114.94 121.98 3fey s ASN 346 Ca 0.13 2.47 0.06 0.00 0.21 0.00 0.00 52.86 55.73 3fey s ASN 346 Cb 0.08 -2.55 0.30 0.00 -0.55 0.00 0.00 41.25 38.53 3fey s ASN 346 CO 0.08 -0.92 1.14 -0.81 -2.79 0.00 0.00 177.10 173.80 3fey n PRO 347 N 6.12 0.04 -2.95 0.43 -0.04 -1.26 -4.21 135.00 133.13 3fey n PRO 347 Ca 0.17 0.51 -0.43 0.00 -0.04 0.00 0.00 63.50 63.70 3fey n PRO 347 Cb 0.41 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 3fey n PRO 347 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3fey s LYS 348 N -3.09 3.34 0.46 0.54 2.36 -1.26 -4.93 119.74 117.16 3fey s LYS 348 Ca -0.01 -0.27 0.19 0.00 -2.55 0.00 0.00 55.97 53.34 3fey s LYS 348 Cb 0.02 -4.00 1.12 0.00 -1.05 0.00 0.00 37.83 33.92 3fey s LYS 348 CO 0.05 -1.25 1.99 1.79 1.55 0.00 0.00 175.35 179.48 3fey h THR 349 N 5.97 0.92 -0.93 3.43 1.35 -2.00 0.61 112.91 122.28 3fey h THR 349 Ca -0.26 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 3fey h THR 349 Cb 1.08 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 68.88 3fey h THR 349 CO 1.00 0.19 0.55 -1.13 -0.25 0.00 0.00 175.52 175.88 3fey h ASN 350 N 0.00 1.13 -0.41 5.36 -0.00 -1.92 0.02 115.58 119.75 3fey h ASN 350 Ca -0.00 -0.08 -0.05 0.00 -0.00 0.00 0.00 56.30 56.18 3fey h ASN 350 Cb 0.40 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.42 3fey h ASN 350 CO 0.03 0.87 0.07 0.40 -0.00 0.00 0.00 177.43 178.80 3fey h ILE 351 N 1.28 1.24 -0.53 2.57 1.08 -1.23 -1.33 117.51 120.60 3fey h ILE 351 Ca 0.33 -0.86 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 3fey h ILE 351 Cb -0.04 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 3fey h ILE 351 CO -0.06 0.30 0.31 1.56 -0.69 0.00 0.00 178.15 179.57 3fey h GLN 352 N 0.53 0.60 -0.21 2.37 4.20 -1.04 0.33 115.11 121.89 3fey h GLN 352 Ca 0.13 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3fey h GLN 352 Cb 0.36 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3fey h GLN 352 CO 0.01 0.40 0.05 -0.22 -0.67 0.00 0.00 178.83 178.39 3fey h LYS 353 N 0.62 0.33 -0.68 1.46 3.64 -0.82 -0.86 116.57 120.27 3fey h LYS 353 Ca 0.22 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3fey h LYS 353 Cb 0.04 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3fey h LYS 353 CO -0.10 0.46 0.25 0.93 -2.27 0.00 0.00 179.45 178.72 3fey h GLU 354 N 0.15 1.03 -0.74 1.90 4.39 -1.07 -0.46 114.58 119.79 3fey h GLU 354 Ca 0.06 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3fey h GLU 354 Cb 0.28 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3fey h GLU 354 CO 0.00 0.87 0.23 0.00 -1.16 0.00 0.00 179.01 178.95 3fey h ALA 355 N 1.11 1.01 0.01 3.43 0.00 -0.72 -0.60 119.26 123.50 3fey h ALA 355 Ca 0.22 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3fey h ALA 355 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fey h ALA 355 CO -0.02 0.66 -0.91 0.00 0.00 0.00 0.00 179.25 178.98 3fey h THR 356 N 1.10 1.53 -0.24 0.00 1.03 -0.90 -0.47 112.91 114.95 3fey h THR 356 Ca 0.24 -2.77 0.06 0.00 -0.01 0.00 0.00 66.41 63.92 3fey h THR 356 Cb 0.31 2.56 -0.06 0.00 -1.07 0.00 0.00 68.15 69.89 3fey h THR 356 CO -0.01 0.80 -0.14 -0.25 -0.01 0.00 0.00 175.52 175.92 3fey h TRP 357 N 0.08 -0.35 -0.40 0.00 7.01 -0.95 0.10 115.95 121.44 3fey h TRP 357 Ca -0.04 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.04 3fey h TRP 357 Cb 1.57 0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 28.77 3fey h TRP 357 CO 0.02 -0.21 0.13 1.15 -2.79 0.00 0.00 178.44 176.74 3fey h THR 358 N -0.12 0.85 -0.92 2.65 2.02 -0.72 -0.75 112.91 115.91 3fey h THR 358 Ca 0.13 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3fey h THR 358 Cb 0.32 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3fey h THR 358 CO -0.32 0.05 0.61 0.24 0.37 0.00 0.00 175.52 176.48 3fey h MET 359 N 0.28 1.21 -0.08 6.66 2.86 -0.70 -1.47 114.93 123.68 3fey h MET 359 Ca 0.19 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3fey h MET 359 Cb 0.19 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3fey h MET 359 CO -0.21 0.80 -0.10 0.66 1.06 0.00 0.00 176.91 179.12 3fey h SER 360 N 1.24 0.11 1.07 1.22 4.64 0.67 0.70 113.55 123.21 3fey h SER 360 Ca 0.34 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.47 3fey h SER 360 Cb -0.13 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3fey h SER 360 CO -0.08 0.24 -0.81 0.78 -0.87 0.00 0.00 176.83 176.09 3fey h ASN 361 N 0.12 0.00 -0.52 4.97 2.35 -0.70 -3.10 115.58 118.69 3fey h ASN 361 Ca 0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3fey h ASN 361 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3fey h ASN 361 CO 0.02 0.81 -0.05 0.40 -1.65 0.00 0.00 177.43 176.96 3fey h ILE 362 N 0.00 1.27 0.00 2.81 2.04 -0.25 -2.94 117.51 120.44 3fey h ILE 362 Ca -0.01 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3fey h ILE 362 Cb 1.57 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3fey h ILE 362 CO 0.11 0.41 0.00 0.35 0.00 0.00 0.00 178.15 179.02 3fey n THR 363 N -4.24 0.01 1.18 -0.27 -2.24 0.12 -1.01 114.28 107.82 3fey n THR 363 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 3fey n THR 363 Cb 0.36 -0.59 0.25 0.00 -2.10 0.00 0.00 70.33 68.25 3fey n THR 363 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fey n ALA 364 N -1.01 2.49 -1.33 6.98 0.00 -1.11 -3.20 120.51 123.33 3fey n ALA 364 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3fey n ALA 364 Cb 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3fey n ALA 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fey n GLY 365 N 1.02 -0.27 3.68 0.00 0.00 -0.18 -5.01 105.19 104.44 3fey n GLY 365 Ca 0.13 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3fey n GLY 365 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fey s ARG 366 N -0.81 0.94 0.33 1.61 0.52 -1.26 -4.81 118.95 115.47 3fey s ARG 366 Ca 0.00 0.91 0.02 0.00 -0.52 0.00 0.00 55.73 56.13 3fey s ARG 366 Cb 0.00 -1.77 0.59 0.00 0.52 0.00 0.00 34.95 34.29 3fey s ARG 366 CO 0.00 -2.48 1.96 1.96 0.02 0.00 0.00 175.30 176.76 3fey h GLN 367 N -1.73 0.91 -0.12 3.54 4.20 -1.98 -1.13 115.11 118.81 3fey h GLN 367 Ca -0.50 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.04 3fey h GLN 367 Cb 1.29 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 3fey h GLN 367 CO 0.53 0.60 -0.41 0.38 -0.67 0.00 0.00 178.83 179.26 3fey h ASP 368 N 0.94 0.27 -0.04 1.46 2.03 -1.97 -0.33 116.42 118.79 3fey h ASP 368 Ca 0.31 -0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 56.48 3fey h ASP 368 Cb 0.07 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 3fey h ASP 368 CO -0.09 0.65 -0.07 1.56 -1.03 0.00 0.00 179.24 180.26 3fey h GLN 369 N 0.22 0.11 -0.75 4.15 4.20 -1.79 -2.31 115.11 118.94 3fey h GLN 369 Ca 0.02 -0.07 0.17 0.00 0.06 0.00 0.00 58.65 58.83 3fey h GLN 369 Cb 0.82 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.48 3fey h GLN 369 CO 0.06 0.66 0.07 0.82 -0.67 0.00 0.00 178.83 179.77 3fey h ILE 370 N -0.41 0.39 -0.79 2.54 2.04 -1.19 -0.14 117.51 119.95 3fey h ILE 370 Ca 0.00 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3fey h ILE 370 Cb 0.65 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3fey h ILE 370 CO 0.02 0.03 0.52 -0.61 0.00 0.00 0.00 178.15 178.10 3fey h GLN 371 N 0.15 0.73 -0.20 2.37 5.75 -0.94 -0.37 115.11 122.60 3fey h GLN 371 Ca 0.42 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.72 3fey h GLN 371 Cb 0.75 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3fey h GLN 371 CO -0.61 0.48 -0.52 1.96 -2.65 0.00 0.00 178.83 177.49 3fey h GLN 372 N 0.75 0.56 -0.63 1.69 4.20 -0.48 0.17 115.11 121.37 3fey h GLN 372 Ca 0.36 -0.34 0.07 0.00 0.06 0.00 0.00 58.65 58.80 3fey h GLN 372 Cb 0.40 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 3fey h GLN 372 CO -0.14 0.94 0.31 0.28 -0.67 0.00 0.00 178.83 179.55 3fey h VAL 373 N 0.44 0.89 -0.22 -0.54 2.07 -0.18 -1.79 116.25 116.92 3fey h VAL 373 Ca 0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3fey h VAL 373 Cb 1.05 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3fey h VAL 373 CO 0.10 0.10 0.09 0.58 0.02 0.00 0.00 177.57 178.46 3fey h VAL 374 N 0.56 1.17 0.00 2.57 2.07 -0.70 -2.20 116.25 119.72 3fey h VAL 374 Ca 0.30 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3fey h VAL 374 Cb 0.26 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3fey h VAL 374 CO -0.22 0.17 -0.06 0.78 0.02 0.00 0.00 177.57 178.25 3fey h ASN 375 N 0.20 0.00 -0.49 0.57 2.35 -0.35 -0.60 115.58 117.27 3fey h ASN 375 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3fey h ASN 375 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3fey h ASN 375 CO -0.01 0.06 0.00 1.41 -1.65 0.00 0.00 177.43 177.25 3fey n HIS 376 N -3.23 0.96 -2.43 1.19 8.25 -0.70 -4.92 115.22 114.33 3fey n HIS 376 Ca -0.00 -0.40 -0.17 0.00 -0.26 0.00 0.00 57.72 56.88 3fey n HIS 376 Cb 0.28 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3fey n HIS 376 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fey n GLY 377 N 1.04 -0.31 0.20 -1.41 0.00 -0.23 -4.92 105.19 99.55 3fey n GLY 377 Ca 0.18 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3fey n GLY 377 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fey h LEU 378 N -0.24 0.00 -0.03 0.99 3.38 -1.58 -3.38 115.31 114.46 3fey h LEU 378 Ca -0.40 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3fey h LEU 378 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3fey h LEU 378 CO 0.47 0.00 0.01 0.58 0.09 0.00 0.00 178.44 179.59 3fey h VAL 379 N 0.00 1.17 -0.48 1.22 2.07 -1.87 -2.16 116.25 116.20 3fey h VAL 379 Ca 0.00 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.14 3fey h VAL 379 Cb 0.97 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3fey h VAL 379 CO 0.00 0.14 0.34 -0.65 0.02 0.00 0.00 177.57 177.42 3fey h PRO 380 N -0.16 0.04 -0.20 1.57 0.11 -1.92 0.15 132.00 131.59 3fey h PRO 380 Ca 0.01 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3fey h PRO 380 Cb 0.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3fey h PRO 380 CO -0.00 0.03 -0.55 0.74 -0.21 0.00 0.00 178.00 178.01 3fey h PHE 381 N 0.04 0.75 -0.31 0.65 0.04 -1.63 -1.94 116.94 114.53 3fey h PHE 381 Ca 0.23 -0.26 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 3fey h PHE 381 Cb 0.86 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 3fey h PHE 381 CO -0.00 1.01 -0.25 -0.07 -0.60 0.00 0.00 178.31 178.40 3fey h LEU 382 N 0.46 0.63 -0.48 1.54 3.38 -0.16 -1.71 115.31 118.96 3fey h LEU 382 Ca 0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3fey h LEU 382 Cb 1.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3fey h LEU 382 CO 0.11 0.86 -0.09 0.58 0.09 0.00 0.00 178.44 179.98 3fey h VAL 383 N 0.54 1.27 -0.31 1.22 2.07 -1.02 0.15 116.25 120.16 3fey h VAL 383 Ca 0.08 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3fey h VAL 383 Cb 0.71 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3fey h VAL 383 CO 0.05 0.42 0.21 0.28 0.02 0.00 0.00 177.57 178.55 3fey h SER 384 N 0.76 0.36 -0.72 0.57 0.02 -1.13 0.12 113.55 113.53 3fey h SER 384 Ca 0.13 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3fey h SER 384 Cb 0.64 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3fey h SER 384 CO 0.04 0.26 0.37 0.58 -1.14 0.00 0.00 176.83 176.95 3fey h VAL 385 N 0.42 1.23 -0.70 2.27 2.07 -1.22 0.35 116.25 120.67 3fey h VAL 385 Ca 0.11 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3fey h VAL 385 Cb -0.04 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3fey h VAL 385 CO -0.02 0.26 0.47 0.25 0.02 0.00 0.00 177.57 178.55 3fey h LEU 386 N 1.01 0.75 0.22 2.57 5.85 -0.39 -2.19 115.31 123.14 3fey h LEU 386 Ca 0.25 -0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.65 3fey h LEU 386 Cb 0.08 -0.18 0.03 0.00 0.37 0.00 0.00 40.66 40.97 3fey h LEU 386 CO -0.04 0.52 -1.40 0.28 -0.34 0.00 0.00 178.44 177.47 3fey h SER 387 N 0.87 0.74 0.00 1.25 0.02 -0.01 -3.43 113.55 113.00 3fey h SER 387 Ca 0.28 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 3fey h SER 387 Cb 0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.32 3fey h SER 387 CO -0.07 1.67 -0.68 0.29 -1.14 0.00 0.00 176.83 176.90 3fey n LYS 388 N -3.78 2.44 -1.73 3.45 5.02 0.11 -5.04 118.16 118.63 3fey n LYS 388 Ca -0.18 -0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.81 3fey n LYS 388 Cb 1.05 -0.85 0.08 0.00 -0.02 0.00 0.00 35.03 35.29 3fey n LYS 388 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fey s ALA 389 N -1.70 2.47 0.91 7.82 0.00 -0.83 -5.03 121.76 125.40 3fey s ALA 389 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 3fey s ALA 389 Cb 0.01 -3.04 0.13 0.00 0.00 0.00 0.00 23.12 20.22 3fey s ALA 389 CO 0.03 -1.61 1.09 0.16 0.00 0.00 0.00 175.76 175.44 3fey s ASP 390 N -4.21 3.39 0.18 0.00 1.47 -1.26 -4.67 116.67 111.57 3fey s ASP 390 Ca 0.61 1.45 -0.13 0.00 1.18 0.00 0.00 52.55 55.66 3fey s ASP 390 Cb -0.13 -2.13 0.11 0.00 -0.34 0.00 0.00 42.92 40.43 3fey s ASP 390 CO 0.52 -2.69 1.84 0.15 0.68 0.00 0.00 175.17 175.67 3fey h PHE 391 N -1.58 0.70 -0.88 2.11 3.57 -1.97 -0.52 116.94 118.35 3fey h PHE 391 Ca -0.50 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.13 3fey h PHE 391 Cb 1.29 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 3fey h PHE 391 CO 0.41 0.42 0.57 0.87 -2.23 0.00 0.00 178.31 178.35 3fey h LYS 392 N 0.75 0.81 0.01 1.11 6.56 -2.00 0.24 116.57 124.04 3fey h LYS 392 Ca 0.22 -0.05 -0.23 0.00 -1.06 0.00 0.00 60.65 59.54 3fey h LYS 392 Cb -0.04 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.44 3fey h LYS 392 CO -0.07 0.53 -0.96 1.15 -2.06 0.00 0.00 179.45 178.04 3fey h THR 393 N 0.83 1.41 -0.68 -0.16 2.02 -1.58 -3.26 112.91 111.49 3fey h THR 393 Ca 0.42 -2.49 -0.05 0.00 0.77 0.00 0.00 66.41 65.06 3fey h THR 393 Cb 0.48 2.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 3fey h THR 393 CO -0.18 0.74 0.23 1.56 0.37 0.00 0.00 175.52 178.24 3fey h GLN 394 N 0.22 1.02 -0.65 6.66 4.20 -0.29 -1.87 115.11 124.39 3fey h GLN 394 Ca -0.08 -0.19 0.08 0.00 0.06 0.00 0.00 58.65 58.51 3fey h GLN 394 Cb 1.60 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 29.16 3fey h GLN 394 CO 0.17 0.86 0.32 0.87 -0.67 0.00 0.00 178.83 180.37 3fey h LYS 395 N 0.99 0.56 -0.73 1.46 1.57 -1.05 0.97 116.57 120.34 3fey h LYS 395 Ca 0.22 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3fey h LYS 395 Cb 0.25 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3fey h LYS 395 CO -0.01 0.37 0.23 0.93 -0.57 0.00 0.00 179.45 180.39 3fey h GLU 396 N 0.58 1.13 -0.27 3.15 4.39 -1.41 -2.27 114.58 119.87 3fey h GLU 396 Ca 0.31 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 3fey h GLU 396 Cb 0.29 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3fey h GLU 396 CO -0.24 0.96 -0.19 0.00 -1.16 0.00 0.00 179.01 178.38 3fey h ALA 397 N 1.15 1.16 -0.47 3.43 0.00 -0.69 0.32 119.26 124.17 3fey h ALA 397 Ca 0.24 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fey h ALA 397 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3fey h ALA 397 CO -0.01 0.53 0.28 0.28 0.00 0.00 0.00 179.25 180.33 3fey h VAL 398 N 0.45 1.15 -0.79 0.00 2.07 -0.50 -0.73 116.25 117.90 3fey h VAL 398 Ca 0.07 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3fey h VAL 398 Cb 0.59 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3fey h VAL 398 CO 0.04 0.15 0.34 -0.50 0.02 0.00 0.00 177.57 177.63 3fey h TRP 399 N 0.62 1.18 -0.59 1.57 4.06 -0.82 -1.58 115.95 120.39 3fey h TRP 399 Ca 0.17 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 3fey h TRP 399 Cb 0.01 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 27.78 3fey h TRP 399 CO -0.03 0.87 0.19 0.00 -3.56 0.00 0.00 178.44 175.92 3fey h ALA 400 N 1.23 0.77 -0.34 1.49 0.00 -0.55 -0.91 119.26 120.95 3fey h ALA 400 Ca 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3fey h ALA 400 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fey h ALA 400 CO -0.03 0.42 -0.13 0.28 0.00 0.00 0.00 179.25 179.79 3fey h VAL 401 N 0.83 1.28 -0.43 0.00 2.07 -0.96 -1.94 116.25 117.11 3fey h VAL 401 Ca 0.19 -1.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 3fey h VAL 401 Cb 0.27 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3fey h VAL 401 CO -0.01 0.40 -0.24 0.74 0.02 0.00 0.00 177.57 178.48 3fey h THR 402 N 0.48 1.27 -0.69 2.57 2.02 -1.07 0.65 112.91 118.13 3fey h THR 402 Ca 0.08 -1.40 0.05 0.00 0.77 0.00 0.00 66.41 65.90 3fey h THR 402 Cb 0.66 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3fey h THR 402 CO 0.04 0.48 0.41 0.78 0.37 0.00 0.00 175.52 177.60 3fey h ASN 403 N 0.76 0.65 -0.09 4.18 2.35 -1.16 0.58 115.58 122.85 3fey h ASN 403 Ca 0.09 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3fey h ASN 403 Cb 0.82 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3fey h ASN 403 CO 0.07 0.44 0.04 0.22 -1.65 0.00 0.00 177.43 176.54 3fey h TYR 404 N 0.79 0.07 0.00 1.19 5.03 -1.13 -1.02 116.97 121.90 3fey h TYR 404 Ca 0.29 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.61 3fey h TYR 404 Cb 0.11 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.37 3fey h TYR 404 CO -0.06 0.04 0.00 1.79 -1.32 0.00 0.00 178.16 178.61 3fey h THR 405 N 0.09 0.00 0.11 1.81 1.35 -0.63 0.85 112.91 116.49 3fey h THR 405 Ca 0.04 -0.46 -0.24 0.00 -0.55 0.00 0.00 66.41 65.19 3fey h THR 405 Cb 0.01 1.46 0.02 0.00 -1.73 0.00 0.00 68.15 67.92 3fey h THR 405 CO -0.03 0.00 -1.02 -1.28 -0.25 0.00 0.00 175.52 172.94 3fey h SER 406 N 0.00 0.71 0.00 5.36 0.87 0.24 -3.37 113.55 117.36 3fey h SER 406 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 3fey h SER 406 Cb 0.47 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3fey h SER 406 CO 0.00 1.49 -1.37 0.61 -0.53 0.00 0.00 176.83 177.02 3fey n GLY 407 N 1.41 -0.95 3.79 5.77 0.00 -0.50 -5.03 105.19 109.68 3fey n GLY 407 Ca -0.13 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3fey n GLY 407 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fey s GLY 408 N -3.54 2.16 0.84 -0.02 0.00 0.28 -4.56 107.32 102.47 3fey s GLY 408 Ca 0.01 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.09 3fey s GLY 408 CO 0.86 0.81 1.13 -0.51 0.00 0.00 0.00 173.10 175.38 3fey s THR 409 N -2.38 2.48 0.16 0.90 -4.23 -1.26 -4.84 115.64 106.47 3fey s THR 409 Ca 0.65 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 61.13 3fey s THR 409 Cb -0.18 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.77 3fey s THR 409 CO 0.39 -0.20 1.66 0.58 -0.54 0.00 0.00 174.62 176.50 3fey h VAL 410 N -1.24 0.57 -0.36 2.29 2.07 -1.96 -0.75 116.25 116.88 3fey h VAL 410 Ca -0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3fey h VAL 410 Cb 1.30 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3fey h VAL 410 CO 0.62 0.00 0.15 1.05 0.02 0.00 0.00 177.57 179.41 3fey h GLU 411 N -0.07 0.50 -0.65 1.57 9.09 -1.99 0.11 114.58 123.14 3fey h GLU 411 Ca 0.16 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.44 3fey h GLU 411 Cb 0.32 -0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 27.30 3fey h GLU 411 CO -0.38 0.41 0.12 1.96 0.05 0.00 0.00 179.01 181.17 3fey h GLN 412 N 0.50 1.07 -0.37 1.06 4.20 -1.61 -1.45 115.11 118.50 3fey h GLN 412 Ca 0.13 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 3fey h GLN 412 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3fey h GLN 412 CO -0.01 0.97 -0.30 0.82 -0.67 0.00 0.00 178.83 179.64 3fey h ILE 413 N 1.00 1.28 -0.08 2.54 1.08 0.13 -1.61 117.51 121.85 3fey h ILE 413 Ca 0.20 -1.44 0.02 0.00 -0.39 0.00 0.00 64.86 63.25 3fey h ILE 413 Cb 0.42 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 3fey h ILE 413 CO 0.01 0.48 -0.05 0.58 -0.69 0.00 0.00 178.15 178.48 3fey h VAL 414 N 0.68 0.85 -0.29 1.67 2.07 -0.75 0.11 116.25 120.59 3fey h VAL 414 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3fey h VAL 414 Cb 0.84 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3fey h VAL 414 CO 0.07 0.00 0.09 0.22 0.02 0.00 0.00 177.57 177.97 3fey h TYR 415 N -0.05 0.15 -0.69 1.57 3.20 -1.12 0.22 116.97 120.25 3fey h TYR 415 Ca 0.05 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.04 3fey h TYR 415 Cb 0.12 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 3fey h TYR 415 CO -0.16 0.06 0.28 1.25 -1.64 0.00 0.00 178.16 177.96 3fey h LEU 416 N 0.21 0.30 -0.80 2.82 5.85 -0.73 -0.36 115.31 122.60 3fey h LEU 416 Ca 0.13 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3fey h LEU 416 Cb 0.11 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3fey h LEU 416 CO -0.15 0.15 0.36 0.58 -0.34 0.00 0.00 178.44 179.04 3fey h VAL 417 N 0.47 1.25 0.00 1.05 2.07 -0.10 -2.39 116.25 118.60 3fey h VAL 417 Ca 0.36 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3fey h VAL 417 Cb 0.47 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3fey h VAL 417 CO -0.33 0.31 -0.06 -0.74 0.02 0.00 0.00 177.57 176.77 3fey h HIS 418 N 1.14 0.00 0.00 1.57 -0.00 0.42 -1.85 115.15 116.42 3fey h HIS 418 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3fey h HIS 418 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 3fey h HIS 418 CO 0.02 0.06 0.00 0.00 -0.00 0.00 0.00 177.93 178.00 3fey n GLY 420 N 0.96 1.03 0.27 0.00 0.00 -0.70 -4.94 105.19 101.82 3fey n GLY 420 Ca 0.19 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 3fey n GLY 420 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fey h ILE 421 N 0.00 1.26 0.02 -0.61 6.09 -1.69 -3.37 117.51 119.21 3fey h ILE 421 Ca 0.00 -1.03 0.03 0.00 -1.37 0.00 0.00 64.86 62.49 3fey h ILE 421 Cb 0.58 0.88 -0.05 0.00 0.47 0.00 0.00 36.82 38.70 3fey h ILE 421 CO 0.00 0.37 -0.38 0.40 -3.07 0.00 0.00 178.15 175.46 3fey h ILE 422 N 0.78 0.20 0.57 2.19 1.08 -1.88 -1.76 117.51 118.71 3fey h ILE 422 Ca 0.16 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.61 3fey h ILE 422 Cb 0.47 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3fey h ILE 422 CO 0.02 0.00 -0.40 -0.08 -0.69 0.00 0.00 178.15 177.00 3fey h GLU 423 N -0.56 -0.90 0.00 2.37 4.81 -1.95 0.13 114.58 118.48 3fey h GLU 423 Ca 0.05 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3fey h GLU 423 Cb 0.63 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3fey h GLU 423 CO -0.29 -0.60 -0.03 -1.00 -0.73 0.00 0.00 179.01 176.37 3fey h PRO 424 N -0.94 0.00 0.14 0.92 0.13 -1.74 -0.44 132.00 130.07 3fey h PRO 424 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3fey h PRO 424 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3fey h PRO 424 CO 0.04 0.03 -0.07 1.25 -0.23 0.00 0.00 178.00 179.02 3fey h LEU 425 N 0.00 -0.16 -1.67 1.56 5.85 -0.63 -3.18 115.31 117.08 3fey h LEU 425 Ca -0.00 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3fey h LEU 425 Cb 0.06 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3fey h LEU 425 CO 0.00 0.22 -0.06 0.24 -0.34 0.00 0.00 178.44 178.50 3fey h MET 426 N -0.56 0.13 0.00 1.25 2.86 -0.20 -2.44 114.93 115.98 3fey h MET 426 Ca -0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3fey h MET 426 Cb 0.43 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 3fey h MET 426 CO 0.03 0.20 -0.03 -0.91 1.06 0.00 0.00 176.91 177.27 3fey h ASN 427 N 0.13 0.00 0.17 1.22 2.35 -1.08 -2.07 115.58 116.30 3fey h ASN 427 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3fey h ASN 427 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3fey h ASN 427 CO 0.01 0.03 -0.10 0.18 -1.65 0.00 0.00 177.43 175.90 3fey n LEU 428 N -3.96 0.85 0.00 1.61 4.77 -0.92 -3.78 117.00 115.57 3fey n LEU 428 Ca -0.03 -0.21 0.02 0.00 -0.03 0.00 0.00 56.01 55.76 3fey n LEU 428 Cb 0.11 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3fey n LEU 428 CO 0.29 0.15 0.56 0.18 -1.33 0.00 0.00 177.39 177.24 3fey n LEU 429 N -0.55 0.00 -0.26 2.23 4.77 -0.78 -0.87 117.00 121.54 3fey n LEU 429 Ca 0.17 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 3fey n LEU 429 Cb 0.30 -0.47 0.42 0.00 -2.33 0.00 0.00 43.42 41.34 3fey n LEU 429 CO 0.21 -0.41 0.71 0.35 -1.33 0.00 0.00 177.39 176.92 3fey n THR 430 N -1.47 0.00 -1.48 -5.08 -2.24 -1.25 -4.98 114.28 97.78 3fey n THR 430 Ca 0.01 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 3fey n THR 430 Cb 0.05 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3fey n THR 430 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fey n ALA 431 N -0.57 -1.06 1.73 6.98 0.00 -0.05 -4.85 120.51 122.69 3fey n ALA 431 Ca 0.13 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.70 3fey n ALA 431 Cb 0.34 -1.85 0.45 0.00 0.00 0.00 0.00 19.45 18.40 3fey n ALA 431 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fey n LYS 432 N 0.07 1.25 -3.48 0.00 4.76 -1.26 -4.70 118.16 114.80 3fey n LYS 432 Ca 0.11 -0.37 -0.42 0.00 -2.87 0.00 0.00 58.31 54.76 3fey n LYS 432 Cb 0.45 -1.30 -0.07 0.00 -1.84 0.00 0.00 35.03 32.27 3fey n LYS 432 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3fey s ASP 433 N -1.53 5.88 0.49 4.39 3.68 -1.26 -4.95 116.67 123.37 3fey s ASP 433 Ca 0.27 -1.94 0.19 0.00 2.13 0.00 0.00 52.55 53.20 3fey s ASP 433 Cb 0.13 -2.07 1.22 0.00 -1.45 0.00 0.00 42.92 40.75 3fey s ASP 433 CO 0.21 -0.73 2.06 0.71 0.13 0.00 0.00 175.17 177.56 3fey h THR 434 N 5.98 0.94 -0.44 1.71 1.35 -2.00 -1.36 112.91 119.10 3fey h THR 434 Ca -0.22 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 3fey h THR 434 Cb 1.08 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 3fey h THR 434 CO 0.90 0.12 0.23 0.50 -0.25 0.00 0.00 175.52 177.02 3fey h LYS 435 N 0.00 0.62 -0.54 4.72 1.63 -1.98 -1.55 116.57 119.46 3fey h LYS 435 Ca -0.00 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 3fey h LYS 435 Cb 0.24 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3fey h LYS 435 CO 0.02 0.51 0.09 0.82 -3.45 0.00 0.00 179.45 177.43 3fey h ILE 436 N 0.57 1.24 -0.64 2.00 1.08 -1.70 -2.17 117.51 117.87 3fey h ILE 436 Ca 0.15 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 3fey h ILE 436 Cb 0.08 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 3fey h ILE 436 CO -0.02 0.33 0.36 0.40 -0.69 0.00 0.00 178.15 178.52 3fey h ILE 437 N 0.81 1.20 0.00 -0.67 2.04 -1.03 -1.60 117.51 118.26 3fey h ILE 437 Ca 0.17 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3fey h ILE 437 Cb 0.36 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3fey h ILE 437 CO 0.01 0.22 -0.23 -0.07 0.00 0.00 0.00 178.15 178.08 3fey h LEU 438 N 0.88 0.00 -0.10 1.44 3.38 -0.73 -2.21 115.31 117.98 3fey h LEU 438 Ca 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 3fey h LEU 438 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3fey h LEU 438 CO -0.04 0.23 -0.61 0.58 0.09 0.00 0.00 178.44 178.69 3fey h VAL 439 N 0.00 1.35 -0.61 1.22 2.07 -0.86 -2.06 116.25 117.35 3fey h VAL 439 Ca -0.00 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 3fey h VAL 439 Cb 0.43 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 3fey h VAL 439 CO 0.03 0.58 0.22 0.40 0.02 0.00 0.00 177.57 178.83 3fey h ILE 440 N 0.21 1.24 -0.31 4.57 2.04 -1.18 -0.43 117.51 123.64 3fey h ILE 440 Ca -0.05 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 3fey h ILE 440 Cb 1.26 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3fey h ILE 440 CO 0.13 0.30 -0.05 -0.07 0.00 0.00 0.00 178.15 178.45 3fey h LEU 441 N 0.87 0.47 -0.46 1.44 3.38 -1.38 -0.95 115.31 118.68 3fey h LEU 441 Ca 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fey h LEU 441 Cb 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3fey h LEU 441 CO -0.01 0.57 0.28 -0.78 0.09 0.00 0.00 178.44 178.59 3fey h ASP 442 N 0.47 0.55 -0.42 -0.43 -0.00 -0.68 -0.67 116.42 115.24 3fey h ASP 442 Ca 0.10 -0.05 0.03 0.00 -0.00 0.00 0.00 57.03 57.11 3fey h ASP 442 Cb 0.38 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 39.54 3fey h ASP 442 CO 0.02 0.43 0.22 0.00 -0.00 0.00 0.00 179.24 179.91 3fey h ALA 443 N 1.14 0.53 -0.33 -0.78 0.00 -0.25 0.16 119.26 119.73 3fey h ALA 443 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fey h ALA 443 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fey h ALA 443 CO -0.03 -0.14 0.22 0.82 0.00 0.00 0.00 179.25 180.12 3fey h ILE 444 N 0.44 1.08 -0.61 0.00 1.08 -1.06 0.14 117.51 118.58 3fey h ILE 444 Ca 0.18 -0.15 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3fey h ILE 444 Cb 0.07 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 3fey h ILE 444 CO -0.12 0.08 0.36 -1.28 -0.69 0.00 0.00 178.15 176.51 3fey h SER 445 N 0.44 0.58 -0.40 1.72 0.87 -0.62 -0.41 113.55 115.73 3fey h SER 445 Ca 0.12 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3fey h SER 445 Cb -0.05 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 3fey h SER 445 CO -0.03 0.40 0.12 0.78 -0.53 0.00 0.00 176.83 177.58 3fey h ASN 446 N 0.70 0.11 -0.09 6.23 2.35 -0.01 -1.62 115.58 123.26 3fey h ASN 446 Ca 0.25 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 3fey h ASN 446 Cb 0.06 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3fey h ASN 446 CO -0.12 0.10 -0.20 0.40 -1.65 0.00 0.00 177.43 175.96 3fey h ILE 447 N 0.28 1.25 -0.24 2.81 2.04 -0.11 -2.30 117.51 121.23 3fey h ILE 447 Ca 0.19 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 3fey h ILE 447 Cb 0.18 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3fey h ILE 447 CO -0.20 0.37 -0.11 -0.26 0.00 0.00 0.00 178.15 177.95 3fey h PHE 448 N 0.44 0.42 -0.66 1.37 0.04 -0.67 -0.61 116.94 117.28 3fey h PHE 448 Ca 0.07 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 3fey h PHE 448 Cb 0.60 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 3fey h PHE 448 CO 0.02 0.51 0.20 1.96 -0.60 0.00 0.00 178.31 180.40 3fey h GLN 449 N 0.38 1.01 -0.25 1.51 4.20 -0.75 0.16 115.11 121.37 3fey h GLN 449 Ca 0.07 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3fey h GLN 449 Cb 0.43 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3fey h GLN 449 CO 0.02 0.87 0.05 0.00 -0.67 0.00 0.00 178.83 179.11 3fey h ALA 450 N 1.24 0.33 -0.79 3.87 0.00 -1.14 -3.00 119.26 119.76 3fey h ALA 450 Ca 0.21 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3fey h ALA 450 Cb 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3fey h ALA 450 CO -0.01 -0.00 0.52 0.00 0.00 0.00 0.00 179.25 179.76 3fey h ALA 451 N 0.87 1.84 -0.07 0.00 0.00 -0.52 -2.45 119.26 118.93 3fey h ALA 451 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3fey h ALA 451 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fey h ALA 451 CO 0.00 -0.02 0.02 0.93 0.00 0.00 0.00 179.25 180.18 3fey h GLU 452 N 0.66 0.11 -0.23 0.00 5.08 -0.85 -0.62 114.58 118.73 3fey h GLU 452 Ca 0.37 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.77 3fey h GLU 452 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3fey h GLU 452 CO -0.14 0.30 0.24 0.87 -1.00 0.00 0.00 179.01 179.28 3fey h LYS 453 N -0.10 0.00 -0.02 2.33 1.57 -1.37 -1.07 116.57 117.92 3fey h LYS 453 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fey h LYS 453 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3fey h LYS 453 CO 0.00 0.00 -0.25 1.28 -0.57 0.00 0.00 179.45 179.91 3fey n LEU 454 N -3.85 2.12 -3.05 2.94 4.77 -0.92 -4.97 117.00 114.04 3fey n LEU 454 Ca 0.03 -0.73 -0.22 0.00 -0.03 0.00 0.00 56.01 55.05 3fey n LEU 454 Cb 0.38 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3fey n LEU 454 CO 0.28 0.38 -0.01 0.61 -1.33 0.00 0.00 177.39 177.32 3fey n GLY 455 N 1.36 -0.52 0.30 -0.72 0.00 -0.41 -4.91 105.19 100.30 3fey n GLY 455 Ca 0.12 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3fey n GLY 455 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fey n GLU 456 N -3.97 1.83 -0.28 1.61 1.02 -0.33 -4.76 120.64 115.76 3fey n GLU 456 Ca -0.10 -2.59 0.09 0.00 -0.02 0.00 0.00 57.16 54.53 3fey n GLU 456 Cb 0.61 -1.57 0.22 0.00 -0.02 0.00 0.00 31.44 30.69 3fey n GLU 456 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3fey h THR 457 N 0.53 0.34 -0.53 2.62 2.02 -1.91 -1.30 112.91 114.67 3fey h THR 457 Ca 0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 3fey h THR 457 Cb 1.09 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3fey h THR 457 CO 0.06 0.03 -0.01 -0.33 0.37 0.00 0.00 175.52 175.64 3fey h GLU 458 N 0.17 0.95 -0.37 6.66 4.39 -1.94 -1.11 114.58 123.32 3fey h GLU 458 Ca 0.48 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 3fey h GLU 458 Cb 0.92 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3fey h GLU 458 CO -0.65 0.97 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.89 3fey h LYS 459 N 0.82 0.70 -0.49 2.33 3.64 -1.77 -0.37 116.57 121.44 3fey h LYS 459 Ca 0.15 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3fey h LYS 459 Cb 0.54 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3fey h LYS 459 CO 0.03 0.83 0.25 1.25 -2.27 0.00 0.00 179.45 179.53 3fey h LEU 460 N 0.50 0.36 -0.73 5.20 5.85 -1.22 -0.20 115.31 125.07 3fey h LEU 460 Ca 0.10 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.95 3fey h LEU 460 Cb 0.55 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 3fey h LEU 460 CO 0.03 0.25 0.35 0.28 -0.34 0.00 0.00 178.44 179.01 3fey h SER 461 N 0.49 0.45 0.23 1.25 0.02 -0.19 -0.45 113.55 115.34 3fey h SER 461 Ca 0.21 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 61.08 3fey h SER 461 Cb 0.12 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3fey h SER 461 CO -0.15 0.24 -0.57 0.40 -1.14 0.00 0.00 176.83 175.61 3fey h ILE 462 N 0.59 1.36 -0.24 3.27 1.08 -0.77 0.24 117.51 123.03 3fey h ILE 462 Ca 0.37 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 3fey h ILE 462 Cb 0.42 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 3fey h ILE 462 CO -0.29 0.57 0.16 0.24 -0.69 0.00 0.00 178.15 178.13 3fey h MET 463 N 0.27 0.31 -0.39 2.37 2.86 0.01 0.25 114.93 120.62 3fey h MET 463 Ca -0.00 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 3fey h MET 463 Cb 1.08 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3fey h MET 463 CO 0.10 0.21 -0.23 0.82 1.06 0.00 0.00 176.91 178.86 3fey h ILE 464 N 0.32 1.28 -0.82 -1.22 2.04 -0.81 -2.74 117.51 115.56 3fey h ILE 464 Ca 0.09 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3fey h ILE 464 Cb -0.04 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3fey h ILE 464 CO -0.02 0.46 0.48 -0.08 0.00 0.00 0.00 178.15 178.99 3fey h GLU 465 N 0.64 1.12 0.00 2.37 4.81 -0.35 0.34 114.58 123.52 3fey h GLU 465 Ca 0.08 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3fey h GLU 465 Cb 0.80 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3fey h GLU 465 CO 0.07 0.80 -0.46 0.93 -0.73 0.00 0.00 179.01 179.62 3fey h GLU 466 N 1.13 0.00 -0.26 1.92 4.39 -0.20 -2.24 114.58 119.31 3fey h GLU 466 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 3fey h GLU 466 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3fey h GLU 466 CO -0.05 0.46 0.00 0.00 -1.16 0.00 0.00 179.01 178.26 3fey n GLY 468 N 1.09 0.75 0.26 0.00 0.00 -0.84 -4.96 105.19 101.50 3fey n GLY 468 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 3fey n GLY 468 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fey h GLY 469 N 0.00 0.73 0.80 -0.02 0.00 -0.47 -2.37 103.07 101.74 3fey h GLY 469 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3fey h GLY 469 CO 0.00 0.50 -0.09 -2.00 0.00 0.00 0.00 176.54 174.95 3fey h LEU 470 N 0.61 0.42 -0.91 3.11 5.85 -1.74 0.02 115.31 122.66 3fey h LEU 470 Ca 0.10 -0.40 0.18 0.00 0.84 0.00 0.00 57.88 58.60 3fey h LEU 470 Cb 0.58 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 3fey h LEU 470 CO 0.04 0.73 0.48 0.44 -0.34 0.00 0.00 178.44 179.79 3fey h ASP 471 N 0.11 0.56 -0.31 1.25 3.32 -1.84 0.66 116.42 120.16 3fey h ASP 471 Ca 0.04 0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3fey h ASP 471 Cb 0.57 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3fey h ASP 471 CO 0.03 0.17 -0.38 0.11 -1.72 0.00 0.00 179.24 177.45 3fey h LYS 472 N 0.61 0.81 -0.75 3.56 1.57 -1.08 -2.14 116.57 119.15 3fey h LYS 472 Ca 0.53 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3fey h LYS 472 Cb 0.86 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 3fey h LYS 472 CO -0.42 1.09 0.24 0.82 -0.57 0.00 0.00 179.45 180.61 3fey h ILE 473 N 0.59 1.26 -0.59 1.86 2.04 0.08 -2.91 117.51 119.84 3fey h ILE 473 Ca 0.04 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3fey h ILE 473 Cb 0.97 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3fey h ILE 473 CO 0.09 0.36 0.19 -0.33 0.00 0.00 0.00 178.15 178.46 3fey h GLU 474 N 1.11 0.88 -0.19 2.37 5.08 -0.91 -2.54 114.58 120.37 3fey h GLU 474 Ca 0.24 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3fey h GLU 474 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3fey h GLU 474 CO -0.01 0.75 -0.02 0.00 -1.00 0.00 0.00 179.01 178.74 3fey h ALA 475 N 1.35 1.62 0.00 3.43 0.00 -1.20 -1.35 119.26 123.11 3fey h ALA 475 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fey h ALA 475 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fey h ALA 475 CO -0.01 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.80 3fey n LEU 476 N -4.36 0.28 -0.07 0.00 4.77 -0.96 -1.41 117.00 115.26 3fey n LEU 476 Ca -0.00 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 3fey n LEU 476 Cb 0.19 -0.58 0.54 0.00 -2.33 0.00 0.00 43.42 41.23 3fey n LEU 476 CO 0.37 -0.53 1.19 1.56 -1.33 0.00 0.00 177.39 178.65 3fey h GLN 477 N 0.00 0.32 -0.64 3.23 1.08 -1.31 -2.09 115.11 115.71 3fey h GLN 477 Ca 0.00 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 56.99 3fey h GLN 477 Cb 0.17 -0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.41 3fey h GLN 477 CO 0.00 0.21 0.21 -1.71 -0.95 0.00 0.00 178.83 176.59 3fey n ASN 478 N -4.46 4.39 -4.78 1.46 5.15 -0.50 -4.90 115.26 111.62 3fey n ASN 478 Ca 0.10 -3.28 -0.36 0.00 -0.60 0.00 0.00 54.58 50.45 3fey n ASN 478 Cb 0.43 -0.71 -0.02 0.00 -0.53 0.00 0.00 39.78 38.95 3fey n ASN 478 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3fey s HIS 479 N -3.02 2.98 0.38 1.20 2.46 -0.78 -4.94 115.29 113.57 3fey s HIS 479 Ca 0.52 1.58 0.20 0.00 0.47 0.00 0.00 55.06 57.83 3fey s HIS 479 Cb 0.43 -3.22 1.09 0.00 -0.13 0.00 0.00 32.58 30.75 3fey s HIS 479 CO 0.11 -1.11 1.96 1.05 -2.47 0.00 0.00 174.74 174.28 3fey h GLU 480 N 1.90 0.00 -6.04 2.88 -0.00 -1.94 -3.43 114.58 107.94 3fey h GLU 480 Ca -0.49 0.00 -0.56 0.00 -0.00 0.00 0.00 59.36 58.30 3fey h GLU 480 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.93 3fey h GLU 480 CO 0.60 0.22 0.20 1.21 -0.00 0.00 0.00 179.01 181.24 3fey s ASN 481 N -6.56 7.02 0.32 3.06 3.84 -1.26 -4.95 114.94 116.40 3fey s ASN 481 Ca -0.03 1.23 0.04 0.00 0.21 0.00 0.00 52.86 54.31 3fey s ASN 481 Cb 0.14 -2.44 0.54 0.00 -0.55 0.00 0.00 41.25 38.94 3fey s ASN 481 CO 0.65 -0.21 1.82 -0.08 -2.79 0.00 0.00 177.10 176.50 3fey h GLU 482 N 6.94 0.50 -0.32 0.43 4.81 -2.00 -1.74 114.58 123.20 3fey h GLU 482 Ca -0.38 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 3fey h GLU 482 Cb 1.18 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3fey h GLU 482 CO 0.77 0.60 -0.10 0.77 -0.73 0.00 0.00 179.01 180.32 3fey h SER 483 N 0.47 0.64 -0.91 1.04 0.02 -1.96 -0.28 113.55 112.56 3fey h SER 483 Ca 0.09 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3fey h SER 483 Cb 0.45 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3fey h SER 483 CO 0.02 0.87 0.57 0.58 -1.14 0.00 0.00 176.83 177.73 3fey h VAL 484 N 0.40 1.25 -0.27 2.27 2.07 -1.88 -1.06 116.25 119.03 3fey h VAL 484 Ca 0.08 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3fey h VAL 484 Cb 0.60 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3fey h VAL 484 CO 0.04 0.25 0.09 0.22 0.02 0.00 0.00 177.57 178.19 3fey h TYR 485 N 1.26 0.43 -0.91 1.57 3.20 -0.93 -1.93 116.97 119.65 3fey h TYR 485 Ca 0.33 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3fey h TYR 485 Cb -0.08 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 3fey h TYR 485 CO 0.00 0.46 0.50 0.87 -1.64 0.00 0.00 178.16 178.35 3fey h LYS 486 N 0.27 1.26 0.04 1.82 1.79 -0.75 -1.27 116.57 119.74 3fey h LYS 486 Ca 0.09 -0.14 -0.26 0.00 -2.18 0.00 0.00 60.65 58.16 3fey h LYS 486 Cb 0.23 -0.25 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3fey h LYS 486 CO -0.00 0.92 -1.06 0.00 -1.08 0.00 0.00 179.45 178.22 3fey h ALA 487 N 1.28 0.21 -0.43 3.86 0.00 -1.13 -1.85 119.26 121.20 3fey h ALA 487 Ca 0.32 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3fey h ALA 487 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fey h ALA 487 CO -0.05 0.78 -0.27 0.66 0.00 0.00 0.00 179.25 180.37 3fey h SER 488 N 0.26 0.94 -0.49 0.00 4.64 -1.32 -2.68 113.55 114.90 3fey h SER 488 Ca -0.12 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fey h SER 488 Cb 1.72 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.53 3fey h SER 488 CO 0.19 1.14 0.31 0.25 -0.87 0.00 0.00 176.83 177.85 3fey h LEU 489 N 0.77 0.58 -0.67 5.97 5.85 -1.20 -1.46 115.31 125.16 3fey h LEU 489 Ca 0.09 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3fey h LEU 489 Cb 0.83 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3fey h LEU 489 CO 0.07 0.45 0.39 -1.28 -0.34 0.00 0.00 178.44 177.74 3fey h SER 490 N 0.66 0.62 -0.56 1.25 0.87 -1.23 0.24 113.55 115.39 3fey h SER 490 Ca 0.18 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3fey h SER 490 Cb -0.03 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 3fey h SER 490 CO -0.03 0.41 0.30 -0.07 -0.53 0.00 0.00 176.83 176.91 3fey h LEU 491 N 0.75 0.70 -0.93 2.23 3.38 -1.15 -1.74 115.31 118.55 3fey h LEU 491 Ca 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3fey h LEU 491 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3fey h LEU 491 CO -0.14 0.60 0.55 0.40 0.09 0.00 0.00 178.44 179.93 3fey h ILE 492 N 0.75 1.26 -0.20 1.22 1.08 -0.46 -2.02 117.51 119.14 3fey h ILE 492 Ca 0.20 -0.57 -0.20 0.00 -0.39 0.00 0.00 64.86 63.90 3fey h ILE 492 Cb 0.05 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 3fey h ILE 492 CO -0.03 0.27 -0.65 -0.33 -0.69 0.00 0.00 178.15 176.72 3fey h GLU 493 N 1.28 0.74 0.17 2.37 5.08 -0.67 -1.52 114.58 122.03 3fey h GLU 493 Ca 0.33 -0.53 -0.32 0.00 -1.00 0.00 0.00 59.36 57.84 3fey h GLU 493 Cb -0.04 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.30 3fey h GLU 493 CO -0.06 1.15 -1.53 0.87 -1.00 0.00 0.00 179.01 178.44 3fey h LYS 494 N 0.54 0.35 0.00 2.33 1.57 -1.23 -3.40 116.57 116.74 3fey h LYS 494 Ca -0.02 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 3fey h LYS 494 Cb 1.25 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.79 3fey h LYS 494 CO 0.13 1.25 0.00 0.66 -0.57 0.00 0.00 179.45 180.93 3fey n TYR 495 N -3.56 0.00 -2.00 -1.35 4.01 -0.77 -4.75 117.16 108.75 3fey n TYR 495 Ca -0.17 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.55 3fey n TYR 495 Cb 1.06 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 40.21 3fey n TYR 495 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fey n PHE 496 N -0.67 0.76 -2.64 -0.72 3.72 -0.58 -4.80 117.46 112.53 3fey n PHE 496 Ca 0.00 -1.53 -0.20 0.00 -0.05 0.00 0.00 57.45 55.66 3fey n PHE 496 Cb 0.01 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3fey n PHE 496 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3fey n SER 497 N -0.65 3.29 -4.73 4.37 7.64 -1.16 -4.89 113.62 117.49 3fey n SER 497 Ca 0.21 -3.32 -0.40 0.00 1.01 0.00 0.00 58.87 56.37 3fey n SER 497 Cb 0.86 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.57 3fey n SER 497 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3fey n VAL 498 N -0.26 2.76 0.79 0.44 3.14 -1.26 -5.07 118.33 118.87 3fey n VAL 498 Ca 0.27 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 61.24 3fey n VAL 498 Cb 0.69 -1.68 0.08 0.00 -1.06 0.00 0.00 33.84 31.86 3fey n VAL 498 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75