#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3i s ARG 84 N 0.00 0.74 0.53 3.97 0.52 -1.26 -4.91 118.95 118.54 1c3i s ARG 84 Ca 0.00 0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.43 1c3i s ARG 84 Cb 0.00 0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.84 1c3i s ARG 84 CO 0.00 -0.19 0.37 0.95 0.02 0.00 0.00 175.30 176.45 1c3i s THR 85 N -0.84 1.70 0.63 0.02 -4.23 -1.26 0.96 115.64 112.61 1c3i s THR 85 Ca -0.09 -1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 1c3i s THR 85 Cb -0.03 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1c3i s THR 85 CO 0.05 0.00 1.03 -0.36 -0.54 0.00 0.00 174.62 174.80 1c3i s PHE 86 N -2.76 3.60 0.07 3.99 0.40 -1.25 -4.54 117.98 117.50 1c3i s PHE 86 Ca 0.33 1.25 -0.33 0.00 -0.60 0.00 0.00 56.93 57.58 1c3i s PHE 86 Cb -0.02 -2.75 -0.13 0.00 0.51 0.00 0.00 43.02 40.64 1c3i s PHE 86 CO 0.20 -0.73 1.73 -2.30 0.70 0.00 0.00 175.22 174.82 1c3i n PRO 87 N -2.77 2.30 -0.25 0.24 -0.02 -1.26 -0.88 135.00 132.36 1c3i n PRO 87 Ca 0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1c3i n PRO 87 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1c3i n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c3i n GLY 88 N 3.91 1.26 3.67 -1.23 0.00 -1.26 -4.43 105.19 107.11 1c3i n GLY 88 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1c3i n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1c3i n ILE 89 N -2.00 -5.60 -1.91 -0.61 5.41 -0.06 -4.89 119.36 109.70 1c3i n ILE 89 Ca 0.00 -0.86 -0.41 0.00 1.00 0.00 0.00 62.75 62.48 1c3i n ILE 89 Cb 0.00 -4.26 -0.01 0.00 -0.71 0.00 0.00 39.64 34.66 1c3i n ILE 89 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1c3i s PRO 90 N -5.88 4.20 0.09 0.38 0.04 -1.26 -5.00 135.00 127.57 1c3i s PRO 90 Ca 0.32 2.44 -0.19 0.00 0.04 0.00 0.00 61.00 63.61 1c3i s PRO 90 Cb -0.10 -3.03 0.04 0.00 0.04 0.00 0.00 34.50 31.45 1c3i s PRO 90 CO 0.84 -0.45 0.46 -1.59 0.04 0.00 0.00 177.00 176.30 1c3i s LYS 91 N -1.35 1.06 0.29 4.56 -2.85 -1.26 -4.56 119.74 115.64 1c3i s LYS 91 Ca 0.55 -0.48 -0.29 0.00 -1.00 0.00 0.00 55.97 54.75 1c3i s LYS 91 Cb -0.44 0.48 -0.10 0.00 -2.06 0.00 0.00 37.83 35.70 1c3i s LYS 91 CO 0.54 -0.41 1.31 -1.58 0.10 0.00 0.00 175.35 175.31 1c3i s TRP 92 N -3.19 3.12 -0.23 1.78 0.52 -1.26 -4.84 118.94 114.84 1c3i s TRP 92 Ca -0.01 1.35 0.15 0.00 0.02 0.00 0.00 56.10 57.61 1c3i s TRP 92 Cb 0.00 -3.66 0.73 0.00 -1.15 0.00 0.00 33.47 29.40 1c3i s TRP 92 CO -0.08 -1.87 1.66 0.54 0.02 0.00 0.00 176.95 177.22 1c3i n ARG 93 N 1.34 4.24 -4.35 4.98 1.74 -1.26 -4.90 116.66 118.45 1c3i n ARG 93 Ca 0.02 -3.07 -0.18 0.00 -0.77 0.00 0.00 57.85 53.84 1c3i n ARG 93 Cb 0.42 -2.14 -0.10 0.00 -1.02 0.00 0.00 32.46 29.62 1c3i n ARG 93 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1c3i s LYS 94 N -2.81 1.35 -0.01 5.56 -2.85 -1.26 -5.07 119.74 114.64 1c3i s LYS 94 Ca 0.51 -1.65 0.11 0.00 -1.00 0.00 0.00 55.97 53.95 1c3i s LYS 94 Cb 0.40 -0.92 -0.17 0.00 -2.06 0.00 0.00 37.83 35.07 1c3i s LYS 94 CO 0.14 0.05 0.27 0.25 0.10 0.00 0.00 175.35 176.16 1c3i n THR 95 N -0.42 0.00 -3.81 3.79 -2.24 -1.26 -4.90 114.28 105.43 1c3i n THR 95 Ca -0.07 -0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 1c3i n THR 95 Cb 0.62 0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 1c3i n THR 95 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1c3i s HIS 96 N -2.73 3.07 0.14 4.78 5.65 -1.26 -1.49 115.29 123.45 1c3i s HIS 96 Ca -0.03 -0.86 0.07 0.00 0.25 0.00 0.00 55.06 54.49 1c3i s HIS 96 Cb 0.07 -2.19 -0.04 0.00 -1.18 0.00 0.00 32.58 29.24 1c3i s HIS 96 CO 0.47 -0.52 -0.06 -0.51 -0.65 0.00 0.00 174.74 173.47 1c3i s LEU 97 N 1.51 3.15 0.15 8.88 1.43 -0.80 -4.99 118.68 128.01 1c3i s LEU 97 Ca 0.04 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1c3i s LEU 97 Cb -0.16 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1c3i s LEU 97 CO 0.01 0.14 0.08 0.42 0.23 0.00 0.00 176.35 177.22 1c3i s THR 98 N -1.46 4.24 0.06 5.49 -4.23 -1.26 -1.73 115.64 116.76 1c3i s THR 98 Ca 0.24 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1c3i s THR 98 Cb -0.10 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1c3i s THR 98 CO 0.16 -0.06 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.41 1c3i s TYR 99 N -1.66 0.65 -0.09 3.99 -0.85 -0.73 -1.37 117.35 117.29 1c3i s TYR 99 Ca 0.29 -0.90 -0.05 0.00 -0.52 0.00 0.00 57.07 55.89 1c3i s TYR 99 Cb -0.10 -0.42 0.04 0.00 0.38 0.00 0.00 41.96 41.86 1c3i s TYR 99 CO 0.21 -0.24 0.22 0.50 -1.52 0.00 0.00 175.55 174.73 1c3i s ARG 100 N -3.40 0.19 -0.59 -3.49 3.52 -0.39 -1.07 118.95 113.72 1c3i s ARG 100 Ca 0.05 0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 55.89 1c3i s ARG 100 Cb 0.03 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.38 1c3i s ARG 100 CO -0.06 -0.15 0.91 0.42 -0.81 0.00 0.00 175.30 175.61 1c3i s ILE 101 N 1.09 4.42 0.17 4.11 1.01 -1.26 0.21 121.20 130.96 1c3i s ILE 101 Ca -0.08 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1c3i s ILE 101 Cb -0.09 -4.57 -0.14 0.00 0.01 0.00 0.00 42.46 37.67 1c3i s ILE 101 CO -0.07 -1.21 1.39 0.58 0.00 0.00 0.00 174.94 175.63 1c3i h VAL 102 N 5.98 1.46 -3.76 2.92 2.07 -0.52 -3.48 116.25 120.91 1c3i h VAL 102 Ca -0.27 -2.48 -0.08 0.00 0.82 0.00 0.00 66.70 64.69 1c3i h VAL 102 Cb 1.07 2.37 -0.10 0.00 -1.52 0.00 0.00 31.29 33.12 1c3i h VAL 102 CO 1.11 0.73 -0.19 0.54 0.02 0.00 0.00 177.57 179.78 1c3i s ASN 103 N -6.95 -0.06 0.03 0.57 2.20 -1.25 -5.04 114.94 104.43 1c3i s ASN 103 Ca -0.04 -0.95 0.07 0.00 -0.94 0.00 0.00 52.86 51.00 1c3i s ASN 103 Cb 0.10 0.55 -0.02 0.00 -2.00 0.00 0.00 41.25 39.88 1c3i s ASN 103 CO 0.83 -1.08 -0.20 -0.31 -2.94 0.00 0.00 177.10 173.41 1c3i s TYR 104 N -4.02 1.74 0.47 1.54 1.51 -1.26 -4.47 117.35 112.86 1c3i s TYR 104 Ca 0.23 -0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 55.73 1c3i s TYR 104 Cb 0.01 -1.06 -0.09 0.00 -0.11 0.00 0.00 41.96 40.70 1c3i s TYR 104 CO 0.08 0.05 0.99 -0.08 -1.11 0.00 0.00 175.55 175.48 1c3i s THR 105 N -0.71 4.22 -0.38 -0.71 -1.32 -1.26 -4.95 115.64 110.53 1c3i s THR 105 Ca 0.07 1.31 0.26 0.00 -1.21 0.00 0.00 61.69 62.12 1c3i s THR 105 Cb -0.08 -3.57 0.29 0.00 -1.51 0.00 0.00 72.50 67.63 1c3i s THR 105 CO 0.01 -0.37 1.78 -0.65 -2.21 0.00 0.00 174.62 173.18 1c3i h PRO 106 N 1.57 0.00 -0.40 7.08 0.11 -1.99 -3.33 132.00 135.04 1c3i h PRO 106 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1c3i h PRO 106 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c3i h PRO 106 CO 0.60 0.00 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.74 1c3i h ASP 107 N 0.00 0.79 -3.74 -2.05 3.45 -1.92 -3.45 116.42 109.50 1c3i h ASP 107 Ca 0.00 -0.28 -0.37 0.00 0.43 0.00 0.00 57.03 56.81 1c3i h ASP 107 Cb 0.49 -0.22 -0.14 0.00 -0.56 0.00 0.00 39.33 38.90 1c3i h ASP 107 CO 0.00 0.98 -0.70 -0.76 -1.57 0.00 0.00 179.24 177.20 1c3i s LEU 108 N -8.92 2.44 0.52 1.55 1.43 -1.25 -4.91 118.68 109.54 1c3i s LEU 108 Ca -0.09 -1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 51.72 1c3i s LEU 108 Cb 0.13 -0.40 -0.06 0.00 0.03 0.00 0.00 46.19 45.89 1c3i s LEU 108 CO 0.84 -0.35 1.15 -2.16 0.23 0.00 0.00 176.35 176.05 1c3i s PRO 109 N -3.76 3.46 0.27 1.29 0.05 -1.26 -4.80 135.00 130.25 1c3i s PRO 109 Ca 0.22 1.69 0.00 0.00 0.05 0.00 0.00 61.00 62.96 1c3i s PRO 109 Cb 0.03 -2.13 0.56 0.00 0.05 0.00 0.00 34.50 33.01 1c3i s PRO 109 CO 0.05 -0.78 1.77 0.87 0.05 0.00 0.00 177.00 178.95 1c3i h LYS 110 N 1.45 0.65 -0.23 4.56 1.57 -1.99 -1.21 116.57 121.38 1c3i h LYS 110 Ca -0.50 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.20 1c3i h LYS 110 Cb 1.26 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1c3i h LYS 110 CO 0.58 0.43 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.40 1c3i h ASP 111 N 0.67 0.32 0.19 0.86 3.45 -1.99 -1.84 116.42 118.07 1c3i h ASP 111 Ca 0.48 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.76 1c3i h ASP 111 Cb 0.67 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 1c3i h ASP 111 CO -0.36 0.42 -0.47 0.00 -1.57 0.00 0.00 179.24 177.27 1c3i h ALA 112 N 1.62 0.96 -0.08 3.45 0.00 -1.59 -1.94 119.26 121.68 1c3i h ALA 112 Ca 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1c3i h ALA 112 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1c3i h ALA 112 CO 0.01 0.64 -0.07 0.28 0.00 0.00 0.00 179.25 180.12 1c3i h VAL 113 N 0.27 1.36 -0.69 0.00 2.07 -1.08 -2.41 116.25 115.77 1c3i h VAL 113 Ca 0.02 -1.19 0.13 0.00 0.82 0.00 0.00 66.70 66.48 1c3i h VAL 113 Cb 0.93 1.98 -0.09 0.00 -1.52 0.00 0.00 31.29 32.58 1c3i h VAL 113 CO 0.08 0.33 0.21 0.44 0.02 0.00 0.00 177.57 178.64 1c3i h ASP 114 N -0.23 0.12 -0.25 0.57 3.32 -1.30 -1.19 116.42 117.46 1c3i h ASP 114 Ca 0.01 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1c3i h ASP 114 Cb 0.56 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1c3i h ASP 114 CO 0.02 0.04 -0.14 0.28 -1.72 0.00 0.00 179.24 177.72 1c3i h SER 115 N 0.34 0.56 -0.77 6.45 0.02 -1.32 0.21 113.55 119.04 1c3i h SER 115 Ca 0.37 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1c3i h SER 115 Cb 0.57 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1c3i h SER 115 CO -0.42 0.85 0.36 0.00 -1.14 0.00 0.00 176.83 176.49 1c3i h ALA 116 N 0.72 1.17 -0.10 3.77 0.00 -1.18 0.16 119.26 123.80 1c3i h ALA 116 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1c3i h ALA 116 Cb 0.65 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1c3i h ALA 116 CO 0.04 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.22 1c3i h VAL 117 N 1.11 1.19 -0.55 0.00 2.07 -1.00 0.42 116.25 119.49 1c3i h VAL 117 Ca 0.27 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1c3i h VAL 117 Cb 0.13 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1c3i h VAL 117 CO -0.03 0.17 0.22 -0.33 0.02 0.00 0.00 177.57 177.62 1c3i h GLU 118 N -0.05 0.40 -0.69 1.57 5.08 -0.22 -1.63 114.58 119.04 1c3i h GLU 118 Ca 0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1c3i h GLU 118 Cb 0.25 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1c3i h GLU 118 CO 0.00 0.27 0.22 -0.22 -1.00 0.00 0.00 179.01 178.28 1c3i h LYS 119 N 0.42 1.07 -0.71 2.33 3.64 -0.53 -1.16 116.57 121.62 1c3i h LYS 119 Ca 0.27 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1c3i h LYS 119 Cb 0.29 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1c3i h LYS 119 CO -0.25 0.92 0.41 0.00 -2.27 0.00 0.00 179.45 178.25 1c3i h ALA 120 N 1.10 1.40 -0.05 5.00 0.00 -0.20 -2.44 119.26 124.07 1c3i h ALA 120 Ca 0.22 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1c3i h ALA 120 Cb 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1c3i h ALA 120 CO -0.01 0.51 -0.78 -0.07 0.00 0.00 0.00 179.25 178.91 1c3i h LEU 121 N 0.98 0.77 -1.00 0.00 3.38 -1.00 -3.22 115.31 115.22 1c3i h LEU 121 Ca 0.25 -0.70 0.12 0.00 0.09 0.00 0.00 57.88 57.64 1c3i h LEU 121 Cb -0.02 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 1c3i h LEU 121 CO -0.05 1.36 0.63 0.50 0.09 0.00 0.00 178.44 180.98 1c3i h LYS 122 N 0.25 0.96 -0.83 1.13 3.64 -0.93 -1.05 116.57 119.74 1c3i h LYS 122 Ca -0.08 -0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.43 1c3i h LYS 122 Cb 1.44 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 1c3i h LYS 122 CO 0.16 0.63 0.31 0.28 -2.27 0.00 0.00 179.45 178.56 1c3i h VAL 123 N 0.99 0.51 0.07 2.00 2.07 -1.46 -1.51 116.25 118.92 1c3i h VAL 123 Ca 0.50 -0.13 -0.26 0.00 0.82 0.00 0.00 66.70 67.63 1c3i h VAL 123 Cb 0.49 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1c3i h VAL 123 CO -0.27 0.07 -1.30 -0.50 0.02 0.00 0.00 177.57 175.59 1c3i h TRP 124 N 0.37 0.26 -0.72 1.57 4.06 -1.37 -3.30 115.95 116.82 1c3i h TRP 124 Ca 0.49 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1c3i h TRP 124 Cb 0.88 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.00 1c3i h TRP 124 CO -0.19 1.18 0.47 1.49 -3.56 0.00 0.00 178.44 177.83 1c3i h GLU 125 N 0.04 0.96 0.00 0.49 4.81 -0.79 -2.87 114.58 117.21 1c3i h GLU 125 Ca -0.14 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1c3i h GLU 125 Cb 1.92 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 31.09 1c3i h GLU 125 CO 0.15 0.65 -0.04 0.93 -0.73 0.00 0.00 179.01 179.97 1c3i h GLU 126 N 0.98 0.00 -0.21 1.92 5.08 -1.36 -3.06 114.58 117.93 1c3i h GLU 126 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1c3i h GLU 126 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1c3i h GLU 126 CO -0.05 0.04 0.00 1.33 -1.00 0.00 0.00 179.01 179.32 1c3i n VAL 127 N -4.19 1.83 -4.00 3.13 0.24 -1.09 -4.76 118.33 109.48 1c3i n VAL 127 Ca -0.03 -1.68 -0.13 0.00 -2.04 0.00 0.00 64.34 60.46 1c3i n VAL 127 Cb 0.12 -0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.45 1c3i n VAL 127 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1c3i s THR 128 N -2.28 0.00 -1.33 3.34 -4.23 -1.16 -4.12 115.64 105.86 1c3i s THR 128 Ca 0.33 -1.41 0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1c3i s THR 128 Cb 0.25 -2.70 0.40 0.00 1.34 0.00 0.00 72.50 71.79 1c3i s THR 128 CO 0.09 0.00 1.93 -2.65 -0.54 0.00 0.00 174.62 173.45 1c3i n PRO 129 N -0.55 0.34 -2.04 3.99 -0.02 -1.26 -4.07 135.00 131.39 1c3i n PRO 129 Ca -0.02 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 1c3i n PRO 129 Cb 0.61 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 1c3i n PRO 129 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1c3i s LEU 130 N -2.70 4.40 0.24 2.45 1.43 -1.26 -4.85 118.68 118.40 1c3i s LEU 130 Ca 0.23 2.74 0.07 0.00 -1.03 0.00 0.00 54.13 56.15 1c3i s LEU 130 Cb 0.20 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 1c3i s LEU 130 CO 0.50 -0.62 -0.09 0.42 0.23 0.00 0.00 176.35 176.78 1c3i s THR 131 N -0.91 1.65 -0.00 5.49 -4.23 -0.55 -4.51 115.64 112.57 1c3i s THR 131 Ca 0.52 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1c3i s THR 131 Cb -0.41 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1c3i s THR 131 CO 0.53 -0.43 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.78 1c3i s PHE 132 N -3.02 0.31 0.10 3.99 0.08 -1.26 -1.90 117.98 116.28 1c3i s PHE 132 Ca 0.26 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.32 1c3i s PHE 132 Cb 0.02 -0.21 -0.03 0.00 -0.57 0.00 0.00 43.02 42.22 1c3i s PHE 132 CO 0.09 -0.01 -0.17 -1.54 -0.10 0.00 0.00 175.22 173.49 1c3i s SER 133 N -0.01 2.08 -0.03 1.36 1.04 -0.71 -5.00 113.70 112.43 1c3i s SER 133 Ca 0.01 -0.69 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 1c3i s SER 133 Cb -0.02 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 1c3i s SER 133 CO -0.00 -0.04 0.20 -0.60 0.98 0.00 0.00 173.24 173.78 1c3i s ARG 134 N -2.04 3.50 -0.03 4.02 3.52 -1.26 -1.78 118.95 124.88 1c3i s ARG 134 Ca 0.04 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.51 1c3i s ARG 134 Cb -0.09 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1c3i s ARG 134 CO 0.03 0.70 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.57 1c3i s LEU 135 N -1.61 2.75 0.00 -0.88 1.43 -0.23 -4.92 118.68 115.22 1c3i s LEU 135 Ca 0.24 -0.23 0.22 0.00 -1.03 0.00 0.00 54.13 53.33 1c3i s LEU 135 Cb -0.13 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.60 1c3i s LEU 135 CO 0.14 0.32 1.14 -1.22 0.23 0.00 0.00 176.35 176.96 1c3i n TYR 136 N 2.10 0.00 -3.46 0.29 4.02 -1.26 -4.44 117.16 114.40 1c3i n TYR 136 Ca -0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.61 1c3i n TYR 136 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1c3i n TYR 136 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1c3i s GLU 137 N -2.14 1.32 0.49 -0.72 -1.05 -1.26 -5.08 118.70 110.26 1c3i s GLU 137 Ca 0.22 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 1c3i s GLU 137 Cb 0.18 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.46 1c3i s GLU 137 CO 0.41 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.45 1c3i n GLY 138 N -0.38 -2.23 3.66 -3.83 0.00 -1.26 -4.81 105.19 96.34 1c3i n GLY 138 Ca -0.16 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1c3i n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c3i s GLU 139 N -0.48 4.24 0.17 1.61 0.41 -1.26 -5.03 118.70 118.37 1c3i s GLU 139 Ca 0.00 0.73 0.04 0.00 -0.41 0.00 0.00 54.97 55.33 1c3i s GLU 139 Cb 0.00 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1c3i s GLU 139 CO 0.00 -0.26 0.23 0.00 -0.49 0.00 0.00 175.26 174.75 1c3i s ALA 140 N 1.95 3.79 0.13 5.21 0.00 -1.26 -5.02 121.76 126.56 1c3i s ALA 140 Ca 0.31 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 1c3i s ALA 140 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1c3i s ALA 140 CO 0.11 0.47 1.67 -0.44 0.00 0.00 0.00 175.76 177.56 1c3i h ASP 141 N 2.07 -0.49 -3.25 0.00 3.32 -1.81 -3.36 116.42 112.90 1c3i h ASP 141 Ca -0.49 0.08 -0.74 0.00 0.02 0.00 0.00 57.03 55.91 1c3i h ASP 141 Cb 1.20 0.22 -0.27 0.00 0.22 0.00 0.00 39.33 40.71 1c3i h ASP 141 CO 0.65 -0.21 -0.30 -0.63 -1.72 0.00 0.00 179.24 177.03 1c3i s ILE 142 N -6.14 4.66 -0.20 0.35 1.01 -0.47 -4.30 121.20 116.11 1c3i s ILE 142 Ca -0.14 -1.72 -0.21 0.00 0.00 0.00 0.00 60.65 58.57 1c3i s ILE 142 Cb 0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1c3i s ILE 142 CO 0.67 -0.83 0.66 -0.04 0.00 0.00 0.00 174.94 175.40 1c3i s MET 143 N 1.38 4.21 -0.12 2.79 -1.94 -1.26 -1.26 119.30 123.10 1c3i s MET 143 Ca 0.05 0.66 -0.01 0.00 -1.71 0.00 0.00 55.69 54.69 1c3i s MET 143 Cb -0.27 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 1c3i s MET 143 CO 0.00 -0.28 -0.09 0.42 -0.01 0.00 0.00 175.02 175.07 1c3i s ILE 144 N 2.04 3.47 0.18 2.53 1.01 0.13 -1.95 121.20 128.62 1c3i s ILE 144 Ca 0.30 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 1c3i s ILE 144 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1c3i s ILE 144 CO 0.10 0.54 0.38 -0.94 0.00 0.00 0.00 174.94 175.02 1c3i s SER 145 N 0.00 -0.07 -0.09 3.58 1.04 -1.01 0.31 113.70 117.47 1c3i s SER 145 Ca -0.02 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 1c3i s SER 145 Cb -0.14 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1c3i s SER 145 CO 0.03 -0.97 0.08 -0.36 0.98 0.00 0.00 173.24 173.00 1c3i s PHE 146 N -3.94 3.37 0.03 5.02 0.08 -1.26 -1.19 117.98 120.10 1c3i s PHE 146 Ca 0.15 0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.52 1c3i s PHE 146 Cb 0.02 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1c3i s PHE 146 CO -0.00 0.60 0.01 0.00 -0.10 0.00 0.00 175.22 175.73 1c3i s ALA 147 N -1.00 0.15 -0.10 5.36 0.00 0.78 -4.85 121.76 122.09 1c3i s ALA 147 Ca 0.16 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1c3i s ALA 147 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1c3i s ALA 147 CO 0.05 -0.26 -0.22 0.14 0.00 0.00 0.00 175.76 175.47 1c3i s VAL 148 N -2.41 1.90 0.00 0.00 -7.23 -1.26 -1.24 120.40 110.16 1c3i s VAL 148 Ca -0.07 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1c3i s VAL 148 Cb -0.03 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1c3i s VAL 148 CO -0.04 0.52 0.00 0.54 -0.31 0.00 0.00 175.10 175.81 1c3i n ARG 149 N 3.60 0.00 -2.49 4.82 5.12 -1.26 -4.39 116.66 122.06 1c3i n ARG 149 Ca -0.20 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.30 1c3i n ARG 149 Cb 0.53 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.80 1c3i n ARG 149 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1c3i s GLU 150 N 0.00 4.39 0.00 5.56 1.03 -1.26 0.63 118.70 129.05 1c3i s GLU 150 Ca 0.00 1.65 0.18 0.00 0.03 0.00 0.00 54.97 56.83 1c3i s GLU 150 Cb 0.00 -3.50 0.30 0.00 -0.80 0.00 0.00 34.13 30.12 1c3i s GLU 150 CO 0.00 -0.36 1.10 -2.39 -1.33 0.00 0.00 175.26 172.28 1c3i n HIS 151 N 4.79 0.00 -0.35 4.83 1.44 -1.26 -4.98 115.22 119.69 1c3i n HIS 151 Ca 0.10 -0.45 0.00 0.00 -2.01 0.00 0.00 57.72 55.36 1c3i n HIS 151 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1c3i n HIS 151 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1c3i n GLY 152 N 0.34 0.76 0.46 -1.39 0.00 -1.26 -5.06 105.19 99.04 1c3i n GLY 152 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1c3i n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c3i n ASP 153 N 0.00 1.40 0.04 1.61 5.68 -1.26 -5.05 116.55 118.96 1c3i n ASP 153 Ca 0.00 -1.29 0.13 0.00 -0.50 0.00 0.00 54.79 53.13 1c3i n ASP 153 Cb 0.00 0.11 0.43 0.00 -1.14 0.00 0.00 41.12 40.52 1c3i n ASP 153 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1c3i n PHE 154 N -0.14 0.35 -3.86 2.11 3.01 -1.26 -4.65 117.46 113.03 1c3i n PHE 154 Ca -0.01 0.10 -0.30 0.00 1.01 0.00 0.00 57.45 58.25 1c3i n PHE 154 Cb 0.08 -0.61 -0.14 0.00 -0.01 0.00 0.00 39.48 38.80 1c3i n PHE 154 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1c3i s TYR 155 N -3.05 2.70 0.42 1.38 1.51 -1.26 -5.10 117.35 113.94 1c3i s TYR 155 Ca 0.11 -2.61 -0.26 0.00 -1.01 0.00 0.00 57.07 53.30 1c3i s TYR 155 Cb 0.16 -2.36 -0.09 0.00 -0.11 0.00 0.00 41.96 39.57 1c3i s TYR 155 CO 0.60 -0.84 1.36 -2.14 -1.11 0.00 0.00 175.55 173.42 1c3i s PRO 156 N 0.63 3.87 1.12 -1.71 0.02 -1.26 -4.88 135.00 132.79 1c3i s PRO 156 Ca 0.14 2.27 -0.17 0.00 0.02 0.00 0.00 61.00 63.27 1c3i s PRO 156 Cb -0.22 -2.73 0.25 0.00 0.02 0.00 0.00 34.50 31.82 1c3i s PRO 156 CO -0.08 -0.61 1.11 -0.06 -0.33 0.00 0.00 177.00 177.04 1c3i s PHE 157 N -1.23 1.14 -0.14 6.54 2.99 0.20 -4.91 117.98 122.58 1c3i s PHE 157 Ca 0.58 0.66 0.14 0.00 0.00 0.00 0.00 56.93 58.31 1c3i s PHE 157 Cb -0.41 -3.42 0.35 0.00 0.00 0.00 0.00 43.02 39.55 1c3i s PHE 157 CO 0.52 -3.46 1.18 -0.40 -0.00 0.00 0.00 175.22 173.06 1c3i n ASP 158 N -4.50 1.66 -0.00 1.36 3.85 -1.26 -4.27 116.55 113.39 1c3i n ASP 158 Ca 0.10 -3.26 0.00 0.00 -0.71 0.00 0.00 54.79 50.92 1c3i n ASP 158 Cb 0.59 -0.44 -0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1c3i n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1c3i n GLY 159 N -0.90 -1.48 3.53 6.12 0.00 -1.26 -4.89 105.19 106.31 1c3i n GLY 159 Ca 0.15 -1.53 -0.47 0.00 0.00 0.00 0.00 46.02 44.17 1c3i n GLY 159 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1c3i n PRO 160 N -1.47 0.89 -0.63 1.61 -0.02 -1.25 -4.72 135.00 129.41 1c3i n PRO 160 Ca -0.00 0.31 0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1c3i n PRO 160 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1c3i n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c3i n GLY 161 N 1.63 -1.93 7.00 -1.23 0.00 -1.26 -4.94 105.19 104.46 1c3i n GLY 161 Ca 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1c3i n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c3i n ASN 162 N -2.46 0.00 -4.69 1.61 3.02 -1.26 -4.65 115.26 106.83 1c3i n ASN 162 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1c3i n ASN 162 Cb 0.29 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1c3i n ASN 162 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1c3i s VAL 163 N 0.00 4.01 -0.10 2.41 1.01 -1.26 -4.92 120.40 121.55 1c3i s VAL 163 Ca 0.00 1.38 0.16 0.00 0.00 0.00 0.00 61.98 63.52 1c3i s VAL 163 Cb 0.00 -3.89 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 1c3i s VAL 163 CO 0.00 0.02 0.59 0.18 0.00 0.00 0.00 175.10 175.89 1c3i n LEU 164 N 4.95 0.65 0.00 3.92 4.77 -1.26 -4.72 117.00 125.32 1c3i n LEU 164 Ca 0.11 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1c3i n LEU 164 Cb 0.45 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1c3i n LEU 164 CO 0.56 0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.93 1c3i n ALA 165 N -2.53 0.00 -2.85 -1.18 0.00 -1.26 -2.03 120.51 110.66 1c3i n ALA 165 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1c3i n ALA 165 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.37 1c3i n ALA 165 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1c3i s HIS 166 N -2.00 -0.07 0.05 0.00 -3.43 -0.55 -4.99 115.29 104.29 1c3i s HIS 166 Ca 0.00 -0.25 -0.10 0.00 -0.80 0.00 0.00 55.06 53.90 1c3i s HIS 166 Cb 0.00 0.13 0.01 0.00 -1.43 0.00 0.00 32.58 31.28 1c3i s HIS 166 CO 0.00 -0.62 0.22 0.00 -2.00 0.00 0.00 174.74 172.35 1c3i s ALA 167 N -3.60 -0.42 -0.11 -1.38 0.00 -1.26 -0.73 121.76 114.25 1c3i s ALA 167 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1c3i s ALA 167 Cb 0.02 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1c3i s ALA 167 CO -0.10 -0.41 -0.02 0.71 0.00 0.00 0.00 175.76 175.94 1c3i s TYR 168 N -2.85 3.09 0.98 0.00 1.51 -0.60 -4.84 117.35 114.64 1c3i s TYR 168 Ca -0.03 0.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.91 1c3i s TYR 168 Cb 0.00 -1.85 0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1c3i s TYR 168 CO -0.05 0.27 0.47 0.00 -1.11 0.00 0.00 175.55 175.12 1c3i n ALA 169 N 2.69 -2.62 -1.71 3.71 0.00 -1.25 -1.05 120.51 120.29 1c3i n ALA 169 Ca -0.18 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.13 1c3i n ALA 169 Cb 0.53 -1.82 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1c3i n ALA 169 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1c3i n PRO 170 N -2.24 1.84 -2.00 0.00 -0.02 -1.24 -1.00 135.00 130.33 1c3i n PRO 170 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1c3i n PRO 170 Cb 0.55 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1c3i n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c3i n GLY 171 N 0.82 -0.50 3.90 -1.23 0.00 -1.26 -4.62 105.19 102.30 1c3i n GLY 171 Ca 0.08 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1c3i n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3i s PRO 172 N -1.80 2.34 6.88 1.61 0.04 -1.26 -4.42 135.00 138.38 1c3i s PRO 172 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1c3i s PRO 172 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1c3i s PRO 172 CO 0.00 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1c3i n GLY 173 N -3.11 3.34 0.33 0.56 0.00 -1.26 -2.26 105.19 102.80 1c3i n GLY 173 Ca 0.07 -0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.10 1c3i n GLY 173 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c3i h ILE 174 N 0.00 0.19 -3.99 -0.61 2.10 -1.94 -3.42 117.51 109.83 1c3i h ILE 174 Ca 0.00 0.00 -0.54 0.00 1.08 0.00 0.00 64.86 65.40 1c3i h ILE 174 Cb 0.00 0.89 0.12 0.00 -1.09 0.00 0.00 36.82 36.74 1c3i h ILE 174 CO 0.00 0.00 0.70 0.20 -1.08 0.00 0.00 178.15 177.97 1c3i s ASN 175 N -5.29 5.86 0.00 2.19 0.01 -0.96 -1.59 114.94 115.17 1c3i s ASN 175 Ca -0.05 2.93 0.00 0.00 -0.71 0.00 0.00 52.86 55.03 1c3i s ASN 175 Cb 0.13 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1c3i s ASN 175 CO 0.44 -1.18 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 1c3i n GLY 176 N 0.58 2.89 3.84 0.66 0.00 -0.17 -4.57 105.19 108.42 1c3i n GLY 176 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1c3i n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c3i s ASP 177 N -2.21 5.95 -0.02 1.61 1.01 -0.62 -4.44 116.67 117.96 1c3i s ASP 177 Ca 0.00 1.59 0.04 0.00 0.71 0.00 0.00 52.55 54.88 1c3i s ASP 177 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1c3i s ASP 177 CO 0.00 -1.05 -0.12 0.00 0.21 0.00 0.00 175.17 174.20 1c3i s ALA 178 N -2.89 1.08 0.01 5.23 0.00 -0.82 -1.56 121.76 122.81 1c3i s ALA 178 Ca 0.58 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1c3i s ALA 178 Cb -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1c3i s ALA 178 CO 0.47 0.23 -0.21 -1.01 0.00 0.00 0.00 175.76 175.23 1c3i s HIS 179 N -0.11 1.90 -0.14 0.00 3.76 0.09 -2.39 115.29 118.40 1c3i s HIS 179 Ca 0.01 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.58 1c3i s HIS 179 Cb -0.07 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.45 1c3i s HIS 179 CO 0.00 0.02 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.64 1c3i s PHE 180 N -0.62 2.61 -0.27 1.40 0.08 -0.33 -1.49 117.98 119.36 1c3i s PHE 180 Ca 0.08 -1.30 -0.29 0.00 0.12 0.00 0.00 56.93 55.54 1c3i s PHE 180 Cb -0.08 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 1c3i s PHE 180 CO 0.00 -0.60 1.78 0.34 -0.10 0.00 0.00 175.22 176.65 1c3i s ASP 181 N 0.81 6.03 0.00 1.36 -1.08 -0.86 -0.16 116.67 122.77 1c3i s ASP 181 Ca -0.07 1.51 0.27 0.00 -0.52 0.00 0.00 52.55 53.73 1c3i s ASP 181 Cb -0.16 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.34 1c3i s ASP 181 CO -0.02 -1.56 1.96 -0.67 0.52 0.00 0.00 175.17 175.41 1c3i n ASP 182 N 9.70 0.00 0.00 -0.34 4.64 -0.37 -1.85 116.55 128.34 1c3i n ASP 182 Ca 0.22 -0.65 0.12 0.00 -1.38 0.00 0.00 54.79 53.10 1c3i n ASP 182 Cb 0.46 -0.08 0.70 0.00 -1.04 0.00 0.00 41.12 41.16 1c3i n ASP 182 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1c3i n ASP 183 N -1.08 0.00 -4.93 1.67 8.00 -1.26 -4.64 116.55 114.31 1c3i n ASP 183 Ca 0.18 -1.23 -0.28 0.00 0.71 0.00 0.00 54.79 54.17 1c3i n ASP 183 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1c3i n ASP 183 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1c3i s GLU 184 N -2.00 3.47 -0.66 -1.24 0.41 -0.77 -3.74 118.70 114.18 1c3i s GLU 184 Ca 0.35 -0.46 -0.19 0.00 -0.41 0.00 0.00 54.97 54.27 1c3i s GLU 184 Cb 0.16 -2.96 0.11 0.00 -1.78 0.00 0.00 34.13 29.67 1c3i s GLU 184 CO 0.27 0.53 0.78 -1.14 -0.49 0.00 0.00 175.26 175.20 1c3i s GLN 185 N -2.96 3.16 0.12 1.61 2.00 -1.26 -5.02 119.66 117.31 1c3i s GLN 185 Ca 0.36 -1.44 -0.30 0.00 -2.00 0.00 0.00 55.36 51.97 1c3i s GLN 185 Cb -0.12 -4.35 -0.07 0.00 0.80 0.00 0.00 33.01 29.27 1c3i s GLN 185 CO 0.28 -1.57 1.21 -1.58 -0.50 0.00 0.00 175.29 173.14 1c3i s TRP 186 N 2.56 3.42 0.32 1.67 0.52 -1.26 -1.51 118.94 124.66 1c3i s TRP 186 Ca 0.15 1.33 0.03 0.00 0.02 0.00 0.00 56.10 57.63 1c3i s TRP 186 Cb -0.20 -3.45 -0.05 0.00 -1.15 0.00 0.00 33.47 28.62 1c3i s TRP 186 CO 0.03 -1.33 0.10 0.95 0.02 0.00 0.00 176.95 176.72 1c3i s THR 187 N 0.53 0.76 -0.40 2.01 -4.23 -0.35 -4.53 115.64 109.42 1c3i s THR 187 Ca 0.56 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.30 1c3i s THR 187 Cb -0.32 -2.61 -0.21 0.00 1.34 0.00 0.00 72.50 70.71 1c3i s THR 187 CO 0.33 0.00 0.80 1.17 -0.54 0.00 0.00 174.62 176.37 1c3i n LYS 188 N -0.67 0.42 0.00 3.99 4.81 -1.26 -1.96 118.16 123.49 1c3i n LYS 188 Ca -0.02 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1c3i n LYS 188 Cb 0.66 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1c3i n LYS 188 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1c3i n ASP 189 N -2.09 1.78 -1.63 3.14 3.85 -1.26 -4.95 116.55 115.39 1c3i n ASP 189 Ca -0.00 0.00 0.10 0.00 -0.71 0.00 0.00 54.79 54.17 1c3i n ASP 189 Cb 0.48 0.00 0.37 0.00 -1.35 0.00 0.00 41.12 40.62 1c3i n ASP 189 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1c3i n THR 190 N 0.00 1.87 0.23 2.12 -2.24 -1.26 -4.03 114.28 110.96 1c3i n THR 190 Ca 0.00 -1.20 0.10 0.00 -2.27 0.00 0.00 64.05 60.68 1c3i n THR 190 Cb 0.00 0.12 0.53 0.00 -2.10 0.00 0.00 70.33 68.88 1c3i n THR 190 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1c3i h THR 191 N 4.18 0.61 0.00 4.28 1.35 -1.96 -3.44 112.91 117.92 1c3i h THR 191 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1c3i h THR 191 Cb 1.48 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1c3i h THR 191 CO 0.24 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1c3i n GLY 192 N -0.13 2.84 3.38 5.82 0.00 -1.26 -5.07 105.19 110.77 1c3i n GLY 192 Ca -0.01 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1c3i n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c3i s THR 193 N 3.99 4.15 -0.04 2.61 2.01 -0.57 -4.91 115.64 122.88 1c3i s THR 193 Ca 0.00 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 1c3i s THR 193 Cb 0.00 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 1c3i s THR 193 CO 0.00 0.12 2.05 -3.20 -0.69 0.00 0.00 174.62 172.90 1c3i n ASN 194 N 4.90 3.89 -0.20 3.53 2.85 -1.26 -1.22 115.26 127.75 1c3i n ASN 194 Ca -0.15 0.69 -0.08 0.00 -0.11 0.00 0.00 54.58 54.93 1c3i n ASN 194 Cb 0.49 -1.54 0.02 0.00 1.24 0.00 0.00 39.78 40.00 1c3i n ASN 194 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1c3i h LEU 195 N 11.99 0.83 -0.08 1.20 5.85 -1.69 -2.37 115.31 131.03 1c3i h LEU 195 Ca -0.47 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.07 1c3i h LEU 195 Cb 1.24 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1c3i h LEU 195 CO 0.95 0.81 -0.08 0.15 -0.34 0.00 0.00 178.44 179.93 1c3i h PHE 196 N 0.80 -0.19 -0.59 1.25 3.57 -1.83 0.12 116.94 120.07 1c3i h PHE 196 Ca 0.19 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1c3i h PHE 196 Cb 0.27 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1c3i h PHE 196 CO 0.02 -0.12 0.27 -0.07 -2.23 0.00 0.00 178.31 176.17 1c3i h LEU 197 N -0.10 0.78 -0.54 0.59 3.38 -1.91 0.35 115.31 117.86 1c3i h LEU 197 Ca 0.06 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1c3i h LEU 197 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1c3i h LEU 197 CO -0.14 0.71 -0.38 0.58 0.09 0.00 0.00 178.44 179.30 1c3i h VAL 198 N 0.81 1.28 -0.11 1.22 2.07 -1.18 -1.34 116.25 119.00 1c3i h VAL 198 Ca 0.20 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1c3i h VAL 198 Cb 0.15 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1c3i h VAL 198 CO -0.02 0.50 0.05 0.00 0.02 0.00 0.00 177.57 178.12 1c3i h ALA 199 N 0.94 0.14 -0.76 1.67 0.00 -0.27 0.39 119.26 121.37 1c3i h ALA 199 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c3i h ALA 199 Cb 0.93 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1c3i h ALA 199 CO 0.08 -0.30 0.45 0.00 0.00 0.00 0.00 179.25 179.49 1c3i h ALA 200 N 0.93 1.38 -0.36 0.00 0.00 -0.22 0.38 119.26 121.37 1c3i h ALA 200 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1c3i h ALA 200 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1c3i h ALA 200 CO -0.00 0.54 -0.27 1.25 0.00 0.00 0.00 179.25 180.76 1c3i h HIS 201 N 1.04 0.96 -0.25 0.00 6.17 -0.82 -2.72 115.15 119.54 1c3i h HIS 201 Ca 0.27 -0.27 -0.06 0.00 0.71 0.00 0.00 60.37 61.02 1c3i h HIS 201 Cb -0.04 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.67 1c3i h HIS 201 CO 0.00 1.04 -0.09 0.93 0.71 0.00 0.00 177.93 180.53 1c3i h GLU 202 N 0.61 0.50 -0.17 5.26 4.39 -0.28 -2.35 114.58 122.53 1c3i h GLU 202 Ca 0.07 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.61 1c3i h GLU 202 Cb 0.85 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1c3i h GLU 202 CO 0.07 0.74 0.20 0.82 -1.16 0.00 0.00 179.01 179.68 1c3i h ILE 203 N 0.24 0.45 -0.79 3.13 2.04 -1.00 0.20 117.51 121.79 1c3i h ILE 203 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1c3i h ILE 203 Cb 0.57 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1c3i h ILE 203 CO 0.03 0.00 0.36 1.23 0.00 0.00 0.00 178.15 179.77 1c3i h GLY 204 N 0.00 1.23 1.20 5.37 0.00 -1.08 -0.13 103.07 109.66 1c3i h GLY 204 Ca 0.08 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.61 1c3i h GLY 204 CO -0.00 0.60 -0.47 0.45 0.00 0.00 0.00 176.54 177.12 1c3i h HIS 205 N 1.12 1.06 -0.12 5.60 3.86 -0.61 0.39 115.15 126.45 1c3i h HIS 205 Ca 0.27 -0.35 0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1c3i h HIS 205 Cb 0.15 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1c3i h HIS 205 CO 0.01 1.16 0.12 0.77 0.86 0.00 0.00 177.93 180.86 1c3i h SER 206 N 0.68 0.00 0.03 2.45 0.02 -0.45 -1.80 113.55 114.47 1c3i h SER 206 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1c3i h SER 206 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1c3i h SER 206 CO 0.11 0.00 -0.38 0.18 -1.14 0.00 0.00 176.83 175.60 1c3i n LEU 207 N -3.98 1.94 0.00 5.07 4.77 -0.14 -3.72 117.00 120.94 1c3i n LEU 207 Ca 0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1c3i n LEU 207 Cb 0.23 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1c3i n LEU 207 CO 0.29 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1c3i n GLY 208 N 1.39 1.18 3.77 -0.72 0.00 -0.68 -4.67 105.19 105.47 1c3i n GLY 208 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1c3i n GLY 208 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c3i s LEU 209 N 0.00 4.31 0.00 0.99 1.43 0.11 -3.76 118.68 121.76 1c3i s LEU 209 Ca 0.00 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1c3i s LEU 209 Cb 0.00 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1c3i s LEU 209 CO 0.00 0.20 0.10 0.33 0.23 0.00 0.00 176.35 177.20 1c3i n PHE 210 N 2.97 -3.20 -2.34 0.29 -0.00 0.27 -3.46 117.46 111.99 1c3i n PHE 210 Ca -0.14 -0.19 -0.40 0.00 -0.00 0.00 0.00 57.45 56.72 1c3i n PHE 210 Cb 0.52 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.48 39.90 1c3i n PHE 210 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1c3i s HIS 211 N 0.14 3.39 0.30 -5.13 3.76 -1.26 -4.45 115.29 112.04 1c3i s HIS 211 Ca 0.07 1.60 -0.10 0.00 -0.15 0.00 0.00 55.06 56.47 1c3i s HIS 211 Cb -0.00 -3.43 -0.07 0.00 1.11 0.00 0.00 32.58 30.19 1c3i s HIS 211 CO 0.04 -1.02 0.64 0.45 -0.85 0.00 0.00 174.74 174.00 1c3i s SER 212 N -0.73 6.59 0.03 1.40 0.15 -0.40 -4.21 113.70 116.53 1c3i s SER 212 Ca 0.46 1.00 0.24 0.00 0.70 0.00 0.00 55.95 58.35 1c3i s SER 212 Cb -0.35 -2.26 0.27 0.00 -1.71 0.00 0.00 66.02 61.98 1c3i s SER 212 CO 0.45 -0.21 1.24 0.00 1.20 0.00 0.00 173.24 175.92 1c3i n ALA 213 N -0.65 3.53 -2.44 5.45 0.00 -1.26 -4.29 120.51 120.85 1c3i n ALA 213 Ca 0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1c3i n ALA 213 Cb 0.53 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1c3i n ALA 213 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1c3i s ASN 214 N -3.46 6.52 0.59 0.00 3.84 -1.26 -4.90 114.94 116.28 1c3i s ASN 214 Ca 0.08 0.83 0.29 0.00 0.21 0.00 0.00 52.86 54.27 1c3i s ASN 214 Cb 0.16 -2.54 1.51 0.00 -0.55 0.00 0.00 41.25 39.83 1c3i s ASN 214 CO 0.75 -1.28 1.92 0.71 -2.79 0.00 0.00 177.10 176.41 1c3i h THR 215 N 6.25 0.35 -0.00 -5.21 1.35 -2.02 0.16 112.91 113.80 1c3i h THR 215 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1c3i h THR 215 Cb 1.09 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1c3i h THR 215 CO 1.08 0.00 -0.17 1.21 -0.25 0.00 0.00 175.52 177.39 1c3i n GLU 216 N -3.66 0.36 -2.27 4.72 2.13 -1.26 -4.93 120.64 115.73 1c3i n GLU 216 Ca 0.07 -0.13 -0.31 0.00 0.66 0.00 0.00 57.16 57.45 1c3i n GLU 216 Cb 0.60 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.79 1c3i n GLU 216 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c3i s ALA 217 N -2.73 3.12 0.28 4.31 0.00 0.57 -4.65 121.76 122.67 1c3i s ALA 217 Ca 0.21 0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.35 1c3i s ALA 217 Cb 0.19 -3.04 0.77 0.00 0.00 0.00 0.00 23.12 21.05 1c3i s ALA 217 CO 0.54 -0.38 1.80 1.25 0.00 0.00 0.00 175.76 178.97 1c3i h LEU 218 N 0.47 0.00 -0.37 0.00 5.85 -1.92 -2.47 115.31 116.88 1c3i h LEU 218 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1c3i h LEU 218 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1c3i h LEU 218 CO 0.62 0.37 0.00 0.23 -0.34 0.00 0.00 178.44 179.31 1c3i n MET 219 N -3.76 1.24 -1.94 1.25 2.81 -1.26 -4.79 117.12 110.67 1c3i n MET 219 Ca -0.01 -0.37 -0.41 0.00 -1.81 0.00 0.00 57.70 55.10 1c3i n MET 219 Cb 0.45 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 31.67 1c3i n MET 219 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1c3i s TYR 220 N -1.91 2.87 -0.45 2.03 6.14 -0.93 -1.28 117.35 123.82 1c3i s TYR 220 Ca 0.24 1.08 0.20 0.00 0.64 0.00 0.00 57.07 59.23 1c3i s TYR 220 Cb 0.12 -3.89 0.94 0.00 0.42 0.00 0.00 41.96 39.55 1c3i s TYR 220 CO 0.19 -2.77 1.61 -0.35 0.64 0.00 0.00 175.55 174.86 1c3i n PRO 221 N 1.58 0.14 -3.82 4.97 -0.04 -1.26 -4.63 135.00 131.93 1c3i n PRO 221 Ca 0.04 0.51 -0.36 0.00 -0.04 0.00 0.00 63.50 63.65 1c3i n PRO 221 Cb 0.40 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 1c3i n PRO 221 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c3i s LEU 222 N -4.24 3.56 0.59 1.53 1.43 -1.26 -5.10 118.68 115.19 1c3i s LEU 222 Ca 0.01 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 1c3i s LEU 222 Cb 0.07 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1c3i s LEU 222 CO 0.27 0.01 1.10 -0.47 0.23 0.00 0.00 176.35 177.49 1c3i s TYR 223 N 1.33 2.75 -0.11 0.29 5.04 -1.26 -5.06 117.35 120.32 1c3i s TYR 223 Ca 0.05 1.54 -0.11 0.00 -2.44 0.00 0.00 57.07 56.11 1c3i s TYR 223 Cb -0.15 -3.17 0.03 0.00 0.35 0.00 0.00 41.96 39.02 1c3i s TYR 223 CO 0.04 -1.45 0.31 -3.38 -1.34 0.00 0.00 175.55 169.74 1c3i s HIS 224 N -2.12 -0.33 -0.20 4.97 -3.43 -1.26 -5.12 115.29 107.80 1c3i s HIS 224 Ca 0.68 0.79 -0.29 0.00 -0.80 0.00 0.00 55.06 55.44 1c3i s HIS 224 Cb -0.20 0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 31.05 1c3i s HIS 224 CO 0.33 -0.19 1.28 -1.54 -2.00 0.00 0.00 174.74 172.62 1c3i s SER 225 N 0.03 6.86 -0.29 7.38 1.04 -1.26 -4.98 113.70 122.48 1c3i s SER 225 Ca -0.01 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.01 1c3i s SER 225 Cb -0.03 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.64 1c3i s SER 225 CO 0.01 -0.85 -0.02 -0.22 0.98 0.00 0.00 173.24 173.13 1c3i s LEU 226 N 3.76 3.81 0.64 2.42 2.96 -1.26 -4.97 118.68 126.05 1c3i s LEU 226 Ca 0.55 -1.70 0.19 0.00 -0.22 0.00 0.00 54.13 52.96 1c3i s LEU 226 Cb -0.20 -1.49 0.94 0.00 0.50 0.00 0.00 46.19 45.93 1c3i s LEU 226 CO 0.17 -0.29 1.50 0.71 -1.32 0.00 0.00 176.35 177.12 1c3i h THR 227 N 6.67 0.06 -2.25 3.68 1.35 -1.97 -3.36 112.91 117.11 1c3i h THR 227 Ca -0.12 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.05 1c3i h THR 227 Cb 1.03 0.32 -0.17 0.00 -1.73 0.00 0.00 68.15 67.60 1c3i h THR 227 CO 0.48 0.00 0.98 -1.81 -0.25 0.00 0.00 175.52 174.92 1c3i s ASP 228 N -3.91 6.68 -0.02 5.36 1.01 -1.26 -4.66 116.67 119.87 1c3i s ASP 228 Ca -0.02 -2.14 0.15 0.00 0.71 0.00 0.00 52.55 51.25 1c3i s ASP 228 Cb 0.08 -2.42 -0.22 0.00 1.01 0.00 0.00 42.92 41.38 1c3i s ASP 228 CO 0.27 -1.05 0.43 0.18 0.21 0.00 0.00 175.17 175.20 1c3i n LEU 229 N 6.63 0.21 0.15 1.23 4.77 -1.26 -3.88 117.00 124.85 1c3i n LEU 229 Ca 0.27 -0.15 0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1c3i n LEU 229 Cb 0.48 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1c3i n LEU 229 CO 0.54 0.05 0.46 0.71 -1.33 0.00 0.00 177.39 177.82 1c3i h THR 230 N 0.00 0.37 -0.21 -5.08 1.35 -1.95 -3.29 112.91 104.10 1c3i h THR 230 Ca 0.00 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1c3i h THR 230 Cb 0.60 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1c3i h THR 230 CO 0.00 0.21 0.00 0.54 -0.25 0.00 0.00 175.52 176.02 1c3i n ARG 231 N -3.06 2.62 -1.61 4.72 1.74 -1.26 -5.05 116.66 114.75 1c3i n ARG 231 Ca 0.01 -2.59 -0.47 0.00 -0.77 0.00 0.00 57.85 54.04 1c3i n ARG 231 Cb 0.64 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1c3i n ARG 231 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1c3i n PHE 232 N -0.51 1.61 -3.78 -1.55 7.35 -1.24 -4.99 117.46 114.34 1c3i n PHE 232 Ca 0.17 0.60 -0.13 0.00 -0.76 0.00 0.00 57.45 57.33 1c3i n PHE 232 Cb 0.73 -2.34 -0.14 0.00 0.35 0.00 0.00 39.48 38.09 1c3i n PHE 232 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1c3i s ARG 233 N -0.61 0.11 0.50 -4.13 0.52 -1.26 -5.11 118.95 108.98 1c3i s ARG 233 Ca 0.69 0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 55.95 1c3i s ARG 233 Cb -0.75 -0.07 -0.06 0.00 0.52 0.00 0.00 34.95 34.58 1c3i s ARG 233 CO 0.53 -0.10 1.32 -1.17 0.02 0.00 0.00 175.30 175.90 1c3i s LEU 234 N 0.69 3.95 0.63 2.53 2.96 -1.26 -4.97 118.68 123.20 1c3i s LEU 234 Ca -0.05 2.68 -0.11 0.00 -0.22 0.00 0.00 54.13 56.43 1c3i s LEU 234 Cb -0.07 -4.20 -0.03 0.00 0.50 0.00 0.00 46.19 42.40 1c3i s LEU 234 CO -0.03 -1.33 1.02 -0.94 -1.32 0.00 0.00 176.35 173.75 1c3i s SER 235 N -0.97 6.06 0.38 3.68 1.04 -1.26 -4.90 113.70 117.73 1c3i s SER 235 Ca 0.67 1.31 0.06 0.00 0.48 0.00 0.00 55.95 58.48 1c3i s SER 235 Cb -0.38 -2.33 0.76 0.00 0.10 0.00 0.00 66.02 64.17 1c3i s SER 235 CO 0.46 -0.95 1.98 -0.61 0.98 0.00 0.00 173.24 175.11 1c3i h GLN 236 N -0.34 0.51 -0.86 4.02 5.75 -1.94 -0.66 115.11 121.59 1c3i h GLN 236 Ca -0.44 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1c3i h GLN 236 Cb 1.21 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 1c3i h GLN 236 CO 0.62 0.43 0.52 0.22 -2.65 0.00 0.00 178.83 177.97 1c3i h ASP 237 N 0.51 1.03 0.50 -0.69 3.58 -1.95 -0.45 116.42 118.96 1c3i h ASP 237 Ca 0.13 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1c3i h ASP 237 Cb 0.11 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1c3i h ASP 237 CO -0.01 0.79 -0.24 0.44 -2.88 0.00 0.00 179.24 177.34 1c3i h ASP 238 N 1.18 -0.57 -0.61 2.28 3.45 -1.53 -2.03 116.42 118.58 1c3i h ASP 238 Ca 0.31 -0.04 0.13 0.00 0.43 0.00 0.00 57.03 57.86 1c3i h ASP 238 Cb -0.05 0.15 -0.10 0.00 -0.56 0.00 0.00 39.33 38.76 1c3i h ASP 238 CO -0.06 -0.31 -0.01 0.40 -1.57 0.00 0.00 179.24 177.69 1c3i h ILE 239 N -0.82 0.49 -0.45 0.35 2.04 -1.12 0.19 117.51 118.20 1c3i h ILE 239 Ca -0.07 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1c3i h ILE 239 Cb 0.58 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1c3i h ILE 239 CO 0.11 0.02 0.24 0.78 0.00 0.00 0.00 178.15 179.30 1c3i h ASN 240 N 0.11 0.36 -0.62 1.72 4.21 -1.01 0.23 115.58 120.57 1c3i h ASN 240 Ca 0.32 0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.78 1c3i h ASN 240 Cb 0.52 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1c3i h ASN 240 CO -0.53 0.26 0.11 1.23 -1.29 0.00 0.00 177.43 177.21 1c3i h GLY 241 N 0.48 1.10 2.00 2.83 0.00 -0.41 0.97 103.07 110.04 1c3i h GLY 241 Ca 0.19 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.61 1c3i h GLY 241 CO -0.12 0.67 -0.88 1.19 0.00 0.00 0.00 176.54 177.40 1c3i h ILE 242 N 0.93 1.62 0.01 2.60 6.09 -0.77 -3.08 117.51 124.91 1c3i h ILE 242 Ca 0.19 -3.03 -0.19 0.00 -1.37 0.00 0.00 64.86 60.46 1c3i h ILE 242 Cb 0.41 2.64 -0.02 0.00 0.47 0.00 0.00 36.82 40.32 1c3i h ILE 242 CO 0.01 0.86 -0.88 1.56 -3.07 0.00 0.00 178.15 176.63 1c3i h GLN 243 N 0.00 0.12 0.00 2.19 4.20 -0.45 -1.07 115.11 120.10 1c3i h GLN 243 Ca -0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1c3i h GLN 243 Cb 1.57 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.39 1c3i h GLN 243 CO 0.11 0.92 -0.02 0.66 -0.67 0.00 0.00 178.83 179.83 1c3i h SER 244 N 0.06 0.00 0.00 1.46 4.64 -0.72 0.97 113.55 119.96 1c3i h SER 244 Ca -0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 1c3i h SER 244 Cb 1.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1c3i h SER 244 CO 0.13 0.02 -0.83 -0.07 -0.87 0.00 0.00 176.83 175.21 1c3i h LEU 245 N 0.00 0.00 -0.46 5.97 3.38 -1.44 -3.43 115.31 119.33 1c3i h LEU 245 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1c3i h LEU 245 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1c3i h LEU 245 CO 0.00 1.25 -0.11 -1.22 0.09 0.00 0.00 178.44 178.45 1c3i n TYR 246 N -4.51 0.00 -0.14 1.13 4.01 -0.44 -5.08 117.16 112.13 1c3i n TYR 246 Ca -0.23 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.53 1c3i n TYR 246 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 1c3i n TYR 246 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c3i n GLY 247 N 0.76 -1.44 3.95 2.72 0.00 0.33 -4.55 105.19 106.97 1c3i n GLY 247 Ca 0.01 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 1c3i n GLY 247 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3i s PRO 248 N -1.28 1.11 0.23 1.61 0.05 -1.26 -4.24 135.00 131.22 1c3i s PRO 248 Ca 0.00 -0.62 -0.30 0.00 0.05 0.00 0.00 61.00 60.13 1c3i s PRO 248 Cb 0.00 -2.03 -0.09 0.00 0.05 0.00 0.00 34.50 32.43 1c3i s PRO 248 CO 0.00 -2.01 1.26 -2.14 0.05 0.00 0.00 177.00 174.16 1c3i s PRO 249 N -5.60 4.43 0.58 0.56 0.02 -1.26 -3.98 135.00 129.76 1c3i s PRO 249 Ca 0.70 2.01 0.39 0.00 0.02 0.00 0.00 61.00 64.12 1c3i s PRO 249 Cb -0.05 -3.18 2.01 0.00 0.02 0.00 0.00 34.50 33.30 1c3i s PRO 249 CO 0.50 -0.16 2.18 -1.35 -0.33 0.00 0.00 177.00 177.84 1c3i h PRO 250 N 4.87 0.00 -0.00 5.54 0.11 -1.95 -2.51 132.00 138.06 1c3i h PRO 250 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1c3i h PRO 250 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1c3i h PRO 250 CO 0.74 0.00 -0.44 -0.25 -0.21 0.00 0.00 178.00 177.84 1c3i n ASP 251 N -2.92 0.57 -4.74 -2.05 9.92 -1.26 -4.92 116.55 111.14 1c3i n ASP 251 Ca -0.02 -0.34 -0.31 0.00 -0.53 0.00 0.00 54.79 53.60 1c3i n ASP 251 Cb 0.11 0.20 -0.07 0.00 -0.64 0.00 0.00 41.12 40.72 1c3i n ASP 251 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1c3i s SER 252 N -2.91 5.37 0.63 -2.24 0.01 -0.95 -5.11 113.70 108.50 1c3i s SER 252 Ca 0.14 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 1c3i s SER 252 Cb 0.18 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.97 1c3i s SER 252 CO 0.66 0.20 1.04 -2.16 0.41 0.00 0.00 173.24 173.39 1c3i s PRO 253 N -2.16 3.36 -0.12 12.44 0.04 -1.26 -4.85 135.00 142.45 1c3i s PRO 253 Ca 0.26 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 1c3i s PRO 253 Cb -0.12 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1c3i s PRO 253 CO 0.18 -0.76 -0.04 -2.00 0.04 0.00 0.00 177.00 174.42 1c3i s GLU 254 N -4.74 3.32 0.00 4.56 2.56 -1.26 -5.06 118.70 118.07 1c3i s GLU 254 Ca 0.58 -0.50 0.19 0.00 0.00 0.00 0.00 54.97 55.24 1c3i s GLU 254 Cb -0.13 -2.81 1.14 0.00 2.00 0.00 0.00 34.13 34.33 1c3i s GLU 254 CO 0.47 0.44 1.53 0.25 -0.56 0.00 0.00 175.26 177.39