#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s GLU 96 N 0.00 1.04 -0.00 -2.82 -1.05 -0.88 -4.98 118.70 110.01 3cma s GLU 96 Ca 0.00 -1.30 -0.18 0.00 -0.15 0.00 0.00 54.97 53.34 3cma s GLU 96 Cb 0.00 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 3cma s GLU 96 CO 0.00 -0.34 0.50 -0.51 0.95 0.00 0.00 175.26 175.85 3cma s LEU 97 N -3.01 4.44 -0.05 1.83 1.43 -1.26 -0.80 118.68 121.27 3cma s LEU 97 Ca 0.21 1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3cma s LEU 97 Cb 0.05 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.55 3cma s LEU 97 CO 0.01 0.21 0.13 -1.10 0.23 0.00 0.00 176.35 175.83 3cma s GLN 98 N -0.61 0.12 0.11 1.70 -0.21 0.16 -4.93 119.66 116.01 3cma s GLN 98 Ca 0.27 0.24 -0.25 0.00 0.02 0.00 0.00 55.36 55.64 3cma s GLN 98 Cb -0.17 -0.02 -0.07 0.00 1.00 0.00 0.00 33.01 33.74 3cma s GLN 98 CO 0.15 -0.07 0.77 0.00 -2.12 0.00 0.00 175.29 174.01 3cma s ALA 99 N 0.48 3.42 0.60 6.09 0.00 -1.26 -1.15 121.76 129.93 3cma s ALA 99 Ca -0.03 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.08 3cma s ALA 99 Cb -0.05 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3cma s ALA 99 CO -0.02 0.21 1.10 1.03 0.00 0.00 0.00 175.76 178.08 3cma s ARG 100 N -0.71 3.15 0.16 0.00 0.52 -0.43 -4.85 118.95 116.78 3cma s ARG 100 Ca 0.37 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.00 3cma s ARG 100 Cb -0.22 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.26 3cma s ARG 100 CO 0.25 -0.98 0.00 0.41 0.02 0.00 0.00 175.30 175.00 3cma n GLY 101 N -0.37 -2.80 2.93 -3.53 0.00 -1.26 -4.61 105.19 95.55 3cma n GLY 101 Ca 0.10 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3cma n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cma n LEU 102 N 0.00 6.48 -0.08 0.99 4.77 -1.26 -4.79 117.00 123.10 3cma n LEU 102 Ca 0.00 -4.45 0.03 0.00 -0.03 0.00 0.00 56.01 51.56 3cma n LEU 102 Cb 0.00 -1.56 0.37 0.00 -2.33 0.00 0.00 43.42 39.90 3cma n LEU 102 CO 0.00 1.17 1.19 0.74 -1.33 0.00 0.00 177.39 179.16 3cma h THR 103 N 4.00 1.12 -0.01 -5.08 2.02 -1.89 -2.90 112.91 110.16 3cma h THR 103 Ca 0.44 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.38 3cma h THR 103 Cb 0.67 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3cma h THR 103 CO 1.65 0.13 -0.24 -0.62 0.37 0.00 0.00 175.52 176.80 3cma n GLU 104 N -4.46 0.98 -1.71 6.66 -0.58 -1.26 -4.96 120.64 115.30 3cma n GLU 104 Ca 0.05 -0.60 -0.43 0.00 -0.42 0.00 0.00 57.16 55.76 3cma n GLU 104 Cb 0.07 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 3cma n GLU 104 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3cma n LYS 105 N -0.49 2.53 -4.66 3.49 4.81 -1.10 -5.00 118.16 117.74 3cma n LYS 105 Ca 0.13 0.90 -0.32 0.00 -0.87 0.00 0.00 58.31 58.15 3cma n LYS 105 Cb 0.36 -2.68 -0.12 0.00 0.02 0.00 0.00 35.03 32.61 3cma n LYS 105 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3cma s THR 106 N 0.40 3.20 0.77 3.15 2.01 -1.26 -5.01 115.64 118.91 3cma s THR 106 Ca 0.70 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 3cma s THR 106 Cb -0.55 -2.34 0.06 0.00 0.01 0.00 0.00 72.50 69.68 3cma s THR 106 CO 0.43 0.44 1.13 -2.16 -0.69 0.00 0.00 174.62 173.78 3cma s PRO 107 N -1.20 2.27 -0.27 4.92 0.04 -1.26 -5.01 135.00 134.49 3cma s PRO 107 Ca 0.14 0.33 -0.05 0.00 0.04 0.00 0.00 61.00 61.46 3cma s PRO 107 Cb -0.11 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3cma s PRO 107 CO 0.04 -1.42 0.03 0.16 0.04 0.00 0.00 177.00 175.86 3cma s ASP 108 N -4.36 4.85 0.25 6.66 -4.77 -1.09 -5.02 116.67 113.20 3cma s ASP 108 Ca 0.60 -0.64 0.08 0.00 -3.30 0.00 0.00 52.55 49.30 3cma s ASP 108 Cb -0.12 -1.82 -0.04 0.00 -1.09 0.00 0.00 42.92 39.85 3cma s ASP 108 CO 0.51 -0.14 0.07 -0.76 0.70 0.00 0.00 175.17 175.55 3cma s LEU 109 N 1.48 3.43 0.81 2.11 1.43 -1.26 -4.89 118.68 121.79 3cma s LEU 109 Ca 0.03 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 3cma s LEU 109 Cb -0.16 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.17 3cma s LEU 109 CO 0.00 -0.00 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 3cma s SER 110 N -3.65 4.29 0.13 2.29 1.04 -1.26 -4.79 113.70 111.74 3cma s SER 110 Ca 0.32 1.43 -0.19 0.00 0.48 0.00 0.00 55.95 57.98 3cma s SER 110 Cb -0.07 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 3cma s SER 110 CO 0.22 -2.12 1.78 0.44 0.98 0.00 0.00 173.24 174.54 3cma h ASP 111 N -1.19 0.26 -0.65 7.02 3.32 -2.00 -0.10 116.42 123.07 3cma h ASP 111 Ca -0.47 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.64 3cma h ASP 111 Cb 1.26 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 3cma h ASP 111 CO 0.57 0.19 0.35 -0.08 -1.72 0.00 0.00 179.24 178.54 3cma h GLU 112 N 0.31 0.61 -0.02 3.56 4.57 -1.99 0.22 114.58 121.85 3cma h GLU 112 Ca 0.09 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3cma h GLU 112 Cb -0.03 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3cma h GLU 112 CO -0.02 0.41 0.01 -0.44 -1.18 0.00 0.00 179.01 177.78 3cma h ASP 113 N 0.63 0.02 -0.46 1.04 5.19 -1.84 -0.62 116.42 120.38 3cma h ASP 113 Ca 0.30 -0.17 0.12 0.00 -0.62 0.00 0.00 57.03 56.66 3cma h ASP 113 Cb 0.23 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3cma h ASP 113 CO -0.20 0.18 0.32 0.00 -3.12 0.00 0.00 179.24 176.42 3cma h ALA 114 N 0.84 2.30 -0.00 3.45 0.00 -0.21 0.30 119.26 125.94 3cma h ALA 114 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cma h ALA 114 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3cma h ALA 114 CO -0.00 -0.42 -0.00 -0.09 0.00 0.00 0.00 179.25 178.73 3cma h ARG 115 N 0.10 0.00 -0.53 0.00 2.43 -0.04 -2.45 114.38 113.90 3cma h ARG 115 Ca 0.22 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3cma h ARG 115 Cb 0.73 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3cma h ARG 115 CO -0.02 0.65 0.21 -0.07 -1.51 0.00 0.00 179.97 179.23 3cma h LEU 116 N -0.65 0.73 -0.12 3.80 3.38 -0.20 0.29 115.31 122.55 3cma h LEU 116 Ca -0.00 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3cma h LEU 116 Cb 0.65 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3cma h LEU 116 CO 0.00 0.70 -0.13 0.25 0.09 0.00 0.00 178.44 179.35 3cma h LEU 117 N 0.71 -0.41 -1.23 1.67 5.85 -0.53 0.16 115.31 121.55 3cma h LEU 117 Ca 0.18 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.05 3cma h LEU 117 Cb 0.20 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3cma h LEU 117 CO -0.01 -0.17 0.55 0.74 -0.34 0.00 0.00 178.44 179.21 3cma h THR 118 N -0.16 1.03 0.11 1.05 2.02 -0.91 -1.65 112.91 114.39 3cma h THR 118 Ca 0.09 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3cma h THR 118 Cb 0.29 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3cma h THR 118 CO -0.22 0.17 -0.05 -0.61 0.37 0.00 0.00 175.52 175.18 3cma h GLN 119 N 0.91 -0.14 -0.44 6.66 4.15 0.16 -1.53 115.11 124.87 3cma h GLN 119 Ca 0.37 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.90 3cma h GLN 119 Cb 0.28 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.91 3cma h GLN 119 CO -0.14 0.00 -0.23 -0.09 -1.93 0.00 0.00 178.83 176.44 3cma h ARG 120 N -0.26 -0.14 0.00 1.69 2.43 -0.09 0.25 114.38 118.26 3cma h ARG 120 Ca -0.02 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3cma h ARG 120 Cb 0.21 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3cma h ARG 120 CO 0.03 -0.09 -0.09 1.25 -1.51 0.00 0.00 179.97 179.55 3cma h HIS 121 N -0.14 0.00 0.13 2.20 2.76 -1.11 0.11 115.15 119.09 3cma h HIS 121 Ca 0.21 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.12 3cma h HIS 121 Cb 0.47 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.43 3cma h HIS 121 CO -0.48 0.09 -1.28 -0.09 -1.30 0.00 0.00 177.93 174.86 3cma h ARG 122 N 0.00 0.28 -0.11 5.26 2.43 0.18 -3.38 114.38 119.04 3cma h ARG 122 Ca -0.00 -0.47 -0.22 0.00 -0.81 0.00 0.00 59.98 58.47 3cma h ARG 122 Cb 0.16 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3cma h ARG 122 CO 0.01 1.23 -0.80 0.28 -1.51 0.00 0.00 179.97 179.17 3cma h VAL 123 N -0.29 1.29 0.00 0.20 2.07 -0.54 -3.49 116.25 115.50 3cma h VAL 123 Ca -0.26 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3cma h VAL 123 Cb 1.76 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3cma h VAL 123 CO 0.10 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3cma n GLY 124 N 0.80 1.08 3.68 2.17 0.00 0.02 -4.95 105.19 107.99 3cma n GLY 124 Ca -0.08 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 3cma n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cma s LYS 125 N 0.00 1.17 0.63 1.61 -2.85 -1.26 -5.05 119.74 113.98 3cma s LYS 125 Ca 0.00 -0.59 -0.14 0.00 -1.00 0.00 0.00 55.97 54.24 3cma s LYS 125 Cb 0.00 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 3cma s LYS 125 CO 0.00 -0.53 1.05 -1.25 0.10 0.00 0.00 175.35 174.72 3cma s PRO 126 N -3.34 3.24 0.43 1.78 0.04 -1.26 -4.95 135.00 130.94 3cma s PRO 126 Ca 0.10 1.08 0.16 0.00 0.04 0.00 0.00 61.00 62.37 3cma s PRO 126 Cb -0.02 -2.03 1.07 0.00 0.04 0.00 0.00 34.50 33.56 3cma s PRO 126 CO -0.01 -0.87 1.93 1.96 0.04 0.00 0.00 177.00 180.06 3cma h GLN 127 N 0.02 0.38 -6.08 4.56 4.20 -2.02 -3.46 115.11 112.71 3cma h GLN 127 Ca -0.46 -0.02 -0.42 0.00 0.06 0.00 0.00 58.65 57.81 3cma h GLN 127 Cb 1.21 -0.09 0.05 0.00 0.30 0.00 0.00 27.48 28.96 3cma h GLN 127 CO 0.58 0.25 -0.80 1.19 -0.67 0.00 0.00 178.83 179.37 3cma n PHE 128 N -4.47 -2.06 -3.64 2.96 3.01 -1.26 -4.98 117.46 107.02 3cma n PHE 128 Ca 0.13 0.87 -0.32 0.00 1.01 0.00 0.00 57.45 59.14 3cma n PHE 128 Cb 0.50 -4.40 -0.05 0.00 -0.01 0.00 0.00 39.48 35.53 3cma n PHE 128 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3cma s ASN 129 N -4.11 6.53 0.28 4.37 0.01 -1.26 -4.38 114.94 116.37 3cma s ASN 129 Ca 0.16 0.65 -0.29 0.00 -0.71 0.00 0.00 52.86 52.67 3cma s ASN 129 Cb -0.08 -2.11 -0.14 0.00 0.41 0.00 0.00 41.25 39.33 3cma s ASN 129 CO 0.81 0.07 1.11 -1.14 -1.51 0.00 0.00 177.10 176.44 3cma n ARG 130 N 0.26 1.51 -1.63 -0.60 0.63 -1.01 -4.85 116.66 110.97 3cma n ARG 130 Ca -0.04 0.53 -0.45 0.00 -0.92 0.00 0.00 57.85 56.98 3cma n ARG 130 Cb 0.52 -1.98 -0.02 0.00 0.45 0.00 0.00 32.46 31.43 3cma n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cma n GLN 131 N 0.96 1.61 -1.58 -0.14 10.64 -1.26 -1.71 117.38 125.91 3cma n GLN 131 Ca 0.10 0.57 -0.16 0.00 -1.83 0.00 0.00 57.00 55.68 3cma n GLN 131 Cb 0.32 -2.05 -0.06 0.00 -0.86 0.00 0.00 30.24 27.59 3cma n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3cma n ASP 132 N 1.37 -4.21 0.30 2.61 8.00 -1.26 -4.78 116.55 118.58 3cma n ASP 132 Ca 0.09 0.35 0.18 0.00 0.71 0.00 0.00 54.79 56.12 3cma n ASP 132 Cb 0.32 -3.80 0.98 0.00 -0.02 0.00 0.00 41.12 38.59 3cma n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3cma h HIS 133 N 0.00 0.00 0.00 1.24 2.07 -1.60 -0.40 115.15 116.47 3cma h HIS 133 Ca -0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 3cma h HIS 133 Cb 1.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 3cma h HIS 133 CO 0.47 0.02 -0.22 -2.39 -3.07 0.00 0.00 177.93 172.74 3cma n HIS 134 N -3.49 0.37 0.58 6.12 1.44 -1.26 -3.77 115.22 115.20 3cma n HIS 134 Ca -0.03 0.11 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 3cma n HIS 134 Cb 0.12 -0.61 0.11 0.00 0.12 0.00 0.00 29.99 29.74 3cma n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cma n LYS 135 N -1.84 0.28 -3.69 -1.40 5.02 -0.16 -4.87 118.16 111.51 3cma n LYS 135 Ca 0.06 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3cma n LYS 135 Cb 0.38 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 3cma n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3cma s LYS 136 N -3.18 0.12 0.58 1.97 2.47 -1.22 -5.03 119.74 115.45 3cma s LYS 136 Ca 0.05 0.58 0.31 0.00 -1.56 0.00 0.00 55.97 55.36 3cma s LYS 136 Cb 0.14 -0.15 1.76 0.00 -1.46 0.00 0.00 37.83 38.12 3cma s LYS 136 CO 0.75 -0.24 2.20 0.87 0.16 0.00 0.00 175.35 179.08 3cma h LYS 137 N 7.89 0.00 -0.03 4.03 1.57 -1.89 -0.62 116.57 127.52 3cma h LYS 137 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3cma h LYS 137 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3cma h LYS 137 CO 0.24 0.05 0.00 2.89 -0.57 0.00 0.00 179.45 182.05 3cma n ARG 138 N -3.63 1.13 -3.98 3.15 1.85 -1.26 -4.59 116.66 109.33 3cma n ARG 138 Ca -0.02 -0.19 -0.34 0.00 -1.00 0.00 0.00 57.85 56.30 3cma n ARG 138 Cb 0.15 -1.25 -0.14 0.00 -1.05 0.00 0.00 32.46 30.16 3cma n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cma s VAL 139 N -1.96 2.62 0.78 8.89 1.01 -0.24 -5.10 120.40 126.41 3cma s VAL 139 Ca 0.24 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 3cma s VAL 139 Cb 0.11 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 34.01 3cma s VAL 139 CO 0.18 -0.11 1.09 -0.94 0.00 0.00 0.00 175.10 175.32 3cma s SER 140 N 1.19 4.49 0.17 3.32 1.04 -1.26 -4.65 113.70 117.99 3cma s SER 140 Ca -0.06 1.66 0.23 0.00 0.48 0.00 0.00 55.95 58.26 3cma s SER 140 Cb -0.20 -2.40 0.90 0.00 0.10 0.00 0.00 66.02 64.42 3cma s SER 140 CO -0.03 -2.02 1.70 1.07 0.98 0.00 0.00 173.24 174.94 3cma n THR 141 N -3.50 0.72 -1.69 2.02 5.66 -1.26 -4.56 114.28 111.67 3cma n THR 141 Ca 0.08 0.09 -0.44 0.00 -3.05 0.00 0.00 64.05 60.73 3cma n THR 141 Cb 0.54 -0.93 -0.04 0.00 -1.55 0.00 0.00 70.33 68.36 3cma n THR 141 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3cma n SER 142 N -2.02 3.69 -4.71 1.09 2.88 -1.26 -2.40 113.62 110.89 3cma n SER 142 Ca 0.04 1.03 -0.42 0.00 -1.33 0.00 0.00 58.87 58.19 3cma n SER 142 Cb 0.28 -1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 62.21 3cma n SER 142 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3cma s TRP 143 N 2.02 2.65 -0.01 0.66 -0.11 -1.26 -4.08 118.94 118.80 3cma s TRP 143 Ca 0.81 0.29 0.02 0.00 1.22 0.00 0.00 56.10 58.45 3cma s TRP 143 Cb -0.57 -4.08 -0.00 0.00 -1.50 0.00 0.00 33.47 27.32 3cma s TRP 143 CO 0.38 -4.22 -0.08 1.03 -4.62 0.00 0.00 176.95 169.44 3cma s ARG 144 N 1.83 0.69 0.17 5.86 1.81 -1.26 -4.93 118.95 123.13 3cma s ARG 144 Ca 0.75 -0.29 -0.32 0.00 -1.72 0.00 0.00 55.73 54.16 3cma s ARG 144 Cb -0.46 -0.67 -0.11 0.00 -0.45 0.00 0.00 34.95 33.26 3cma s ARG 144 CO 0.33 0.16 1.69 0.21 -0.68 0.00 0.00 175.30 177.02 3cma s LYS 145 N -0.13 4.16 0.06 3.54 2.20 -1.26 -4.67 119.74 123.64 3cma s LYS 145 Ca 0.02 2.52 -0.31 0.00 -0.36 0.00 0.00 55.97 57.85 3cma s LYS 145 Cb -0.04 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.99 3cma s LYS 145 CO -0.00 -0.73 1.61 -1.25 -0.36 0.00 0.00 175.35 174.63 3cma s PRO 146 N 1.50 4.21 0.00 4.03 0.04 -1.26 -4.83 135.00 138.69 3cma s PRO 146 Ca 0.74 2.28 0.07 0.00 0.04 0.00 0.00 61.00 64.13 3cma s PRO 146 Cb -0.47 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 3cma s PRO 146 CO 0.32 -0.71 0.45 0.54 0.04 0.00 0.00 177.00 177.64 3cma n ARG 147 N 5.54 3.19 -1.76 4.56 1.74 -1.26 -4.77 116.66 123.91 3cma n ARG 147 Ca 0.15 -0.32 -0.41 0.00 -0.77 0.00 0.00 57.85 56.50 3cma n ARG 147 Cb 0.41 -0.94 -0.01 0.00 -1.02 0.00 0.00 32.46 30.90 3cma n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 148 N 0.93 1.33 0.36 -0.13 0.00 -1.26 -4.87 105.19 101.55 3cma n GLY 148 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3cma n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cma h GLN 149 N 4.17 1.11 -0.02 1.61 1.08 -2.04 -2.12 115.11 118.90 3cma h GLN 149 Ca -0.48 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 3cma h GLN 149 Cb 1.23 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3cma h GLN 149 CO 0.74 0.74 -0.10 1.28 -0.95 0.00 0.00 178.83 180.53 3cma n LEU 150 N -4.42 2.20 -4.66 1.46 4.77 -1.26 -4.93 117.00 110.16 3cma n LEU 150 Ca 0.11 -0.74 -0.58 0.00 -0.03 0.00 0.00 56.01 54.77 3cma n LEU 150 Cb 0.06 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 3cma n LEU 150 CO 0.36 0.38 1.09 -0.24 -1.33 0.00 0.00 177.39 177.64 3cma n SER 151 N 0.58 1.71 -0.22 -1.43 2.88 -0.80 -4.86 113.62 111.47 3cma n SER 151 Ca 0.15 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.73 3cma n SER 151 Cb 0.48 -1.09 0.04 0.00 -0.75 0.00 0.00 64.21 62.89 3cma n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3cma h LYS 152 N 5.60 0.91 -0.23 -1.46 1.79 -1.94 -0.22 116.57 121.02 3cma h LYS 152 Ca -0.47 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 57.79 3cma h LYS 152 Cb 1.34 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3cma h LYS 152 CO 0.87 0.73 -0.16 0.37 -1.08 0.00 0.00 179.45 180.18 3cma h GLN 153 N 0.86 0.51 -0.88 3.15 4.15 -1.88 -1.59 115.11 119.43 3cma h GLN 153 Ca 0.21 -0.24 0.05 0.00 0.77 0.00 0.00 58.65 59.44 3cma h GLN 153 Cb 0.13 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 3cma h GLN 153 CO -0.03 0.81 0.56 -0.09 -1.93 0.00 0.00 178.83 178.15 3cma h ARG 154 N 0.21 1.01 0.00 1.69 2.43 -1.81 0.37 114.38 118.27 3cma h ARG 154 Ca 0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3cma h ARG 154 Cb 0.69 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3cma h ARG 154 CO 0.04 0.67 0.00 0.54 -1.51 0.00 0.00 179.97 179.71 3cma n ARG 155 N -4.58 0.35 -2.81 0.20 1.74 -0.11 -4.90 116.66 106.56 3cma n ARG 155 Ca 0.12 0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 3cma n ARG 155 Cb 0.14 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.13 3cma n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 156 N 0.41 0.05 3.71 -0.13 0.00 0.13 -5.01 105.19 104.35 3cma n GLY 156 Ca 0.11 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3cma n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cma s ILE 157 N -3.18 5.11 -0.18 -0.61 1.01 -0.64 -4.98 121.20 117.73 3cma s ILE 157 Ca 0.06 1.20 -0.35 0.00 0.00 0.00 0.00 60.65 61.56 3cma s ILE 157 Cb -0.03 -3.93 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 3cma s ILE 157 CO 0.38 0.27 1.95 1.17 0.00 0.00 0.00 174.94 178.71 3cma n LYS 158 N 3.88 1.81 0.00 2.79 4.81 -1.26 -1.38 118.16 128.82 3cma n LYS 158 Ca -0.04 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3cma n LYS 158 Cb 0.51 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.98 3cma n LYS 158 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cma n GLY 159 N 4.89 2.14 0.99 3.14 0.00 -1.26 -4.94 105.19 110.14 3cma n GLY 159 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.35 3cma n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cma n LYS 160 N -0.09 2.49 0.00 1.61 4.76 -0.48 -5.03 118.16 121.42 3cma n LYS 160 Ca 0.00 -1.60 0.00 0.00 -2.87 0.00 0.00 58.31 53.84 3cma n LYS 160 Cb 0.00 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 3cma n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cma n GLY 161 N 0.81 -2.36 3.81 0.72 0.00 -1.26 -4.65 105.19 102.27 3cma n GLY 161 Ca 0.15 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 3cma n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 162 N -3.12 6.44 -0.15 1.61 1.01 -1.26 -4.90 116.67 116.30 3cma s ASP 162 Ca 0.00 1.80 -0.05 0.00 0.71 0.00 0.00 52.55 55.01 3cma s ASP 162 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3cma s ASP 162 CO 0.00 -0.71 0.01 0.28 0.21 0.00 0.00 175.17 174.96 3cma s THR 163 N -2.20 4.37 -0.25 -1.27 -1.32 -1.26 -4.80 115.64 108.90 3cma s THR 163 Ca 0.64 -0.20 -0.39 0.00 -1.21 0.00 0.00 61.69 60.54 3cma s THR 163 Cb -0.14 -2.92 -0.15 0.00 -1.51 0.00 0.00 72.50 67.79 3cma s THR 163 CO 0.23 0.51 1.80 0.52 -2.21 0.00 0.00 174.62 175.46 3cma n VAL 164 N 3.18 0.35 -4.05 5.08 0.31 -1.26 -4.98 118.33 116.96 3cma n VAL 164 Ca -0.17 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 63.99 3cma n VAL 164 Cb 0.53 -1.36 -0.11 0.00 -0.91 0.00 0.00 33.84 31.99 3cma n VAL 164 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cma s GLU 165 N 3.81 0.50 0.54 5.55 2.02 -1.26 -5.04 118.70 124.82 3cma s GLU 165 Ca 0.98 -0.88 0.23 0.00 0.02 0.00 0.00 54.97 55.32 3cma s GLU 165 Cb -1.00 -0.01 1.43 0.00 0.10 0.00 0.00 34.13 34.65 3cma s GLU 165 CO 0.63 -0.04 2.09 0.00 0.02 0.00 0.00 175.26 177.97 3cma h ALA 166 N 4.05 2.10 0.00 5.21 0.00 -2.01 -1.39 119.26 127.22 3cma h ALA 166 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3cma h ALA 166 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3cma h ALA 166 CO 0.50 -0.28 0.10 0.78 0.00 0.00 0.00 179.25 180.34 3cma h GLY 167 N 0.00 0.00 -0.44 0.00 0.00 -1.98 -1.39 103.07 99.26 3cma h GLY 167 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3cma h GLY 167 CO -0.00 0.00 -0.17 0.69 0.00 0.00 0.00 176.54 177.06 3cma n PHE 168 N -2.24 0.00 -1.66 5.60 3.01 -0.52 -4.96 117.46 116.69 3cma n PHE 168 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 3cma n PHE 168 Cb 0.13 -0.05 0.05 0.00 -0.01 0.00 0.00 39.48 39.60 3cma n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cma n ARG 169 N -0.04 1.11 -1.85 -1.08 5.12 -0.53 -5.00 116.66 114.39 3cma n ARG 169 Ca 0.14 0.42 -0.29 0.00 -1.93 0.00 0.00 57.85 56.19 3cma n ARG 169 Cb 0.40 -2.32 0.14 0.00 -1.16 0.00 0.00 32.46 29.52 3cma n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3cma s SER 170 N -1.19 3.66 0.04 0.55 1.04 -1.26 -4.98 113.70 111.56 3cma s SER 170 Ca 0.76 0.57 -0.31 0.00 0.48 0.00 0.00 55.95 57.45 3cma s SER 170 Cb -0.42 -0.86 -0.06 0.00 0.10 0.00 0.00 66.02 64.78 3cma s SER 170 CO 0.46 -2.42 1.30 -2.84 0.98 0.00 0.00 173.24 170.73 3cma s PRO 171 N -5.68 4.35 0.27 4.02 0.02 -1.26 -4.84 135.00 131.88 3cma s PRO 171 Ca 0.68 1.89 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 3cma s PRO 171 Cb -0.08 -3.41 0.45 0.00 0.02 0.00 0.00 34.50 31.48 3cma s PRO 171 CO 0.51 -0.42 1.47 2.41 -0.33 0.00 0.00 177.00 180.65 3cma n THR 172 N 4.23 -0.40 0.31 0.99 -1.04 -1.26 -0.41 114.28 116.70 3cma n THR 172 Ca 0.11 2.15 0.19 0.00 -2.04 0.00 0.00 64.05 64.46 3cma n THR 172 Cb 0.45 -2.99 0.98 0.00 -1.82 0.00 0.00 70.33 66.95 3cma n THR 172 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cma h ALA 173 N 1.89 1.31 0.00 2.41 0.00 -2.01 -3.17 119.26 119.69 3cma h ALA 173 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3cma h ALA 173 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3cma h ALA 173 CO -0.97 -0.19 -0.06 0.28 0.00 0.00 0.00 179.25 178.31 3cma n VAL 174 N -3.18 0.00 -1.74 0.00 0.31 0.12 -4.98 118.33 108.87 3cma n VAL 174 Ca -0.02 -0.17 -0.66 0.00 -0.01 0.00 0.00 64.34 63.48 3cma n VAL 174 Cb 0.24 0.88 -0.10 0.00 -0.91 0.00 0.00 33.84 33.96 3cma n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3cma n ARG 175 N -0.44 0.15 -0.45 5.55 0.63 0.45 -0.90 116.66 121.66 3cma n ARG 175 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3cma n ARG 175 Cb 0.00 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.33 3cma n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cma n GLY 176 N 3.95 0.76 3.87 5.14 0.00 -1.26 -5.02 105.19 112.62 3cma n GLY 176 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 3cma n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma s LYS 177 N -0.55 3.87 0.68 1.61 1.02 -0.07 -4.70 119.74 121.60 3cma s LYS 177 Ca 0.00 0.52 -0.16 0.00 0.02 0.00 0.00 55.97 56.35 3cma s LYS 177 Cb 0.00 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 3cma s LYS 177 CO 0.00 0.09 1.19 -1.58 -0.92 0.00 0.00 175.35 174.12 3cma s HIS 178 N -2.15 2.24 0.42 3.18 5.65 -0.82 -4.84 115.29 118.97 3cma s HIS 178 Ca 0.52 1.57 0.33 0.00 0.25 0.00 0.00 55.06 57.72 3cma s HIS 178 Cb -0.10 -3.41 1.77 0.00 -1.18 0.00 0.00 32.58 29.66 3cma s HIS 178 CO 0.24 -2.33 1.99 -1.00 -0.65 0.00 0.00 174.74 172.99 3cma h PRO 179 N 0.04 0.00 0.00 2.88 0.13 -1.96 0.65 132.00 133.74 3cma h PRO 179 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 3cma h PRO 179 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3cma h PRO 179 CO 0.52 0.00 -0.52 0.66 -0.23 0.00 0.00 178.00 178.42 3cma h SER 180 N 0.00 0.00 0.00 1.44 4.64 -2.01 -3.47 113.55 114.15 3cma h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cma h SER 180 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3cma h SER 180 CO 0.00 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 3cma n GLY 181 N 0.13 2.24 3.66 -0.77 0.00 0.22 -4.65 105.19 106.02 3cma n GLY 181 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3cma n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cma s PHE 182 N -2.12 1.92 -0.24 1.61 0.40 -1.26 -4.71 117.98 113.59 3cma s PHE 182 Ca 0.00 1.46 -0.06 0.00 -0.60 0.00 0.00 56.93 57.74 3cma s PHE 182 Cb 0.00 -3.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 3cma s PHE 182 CO 0.00 -2.76 0.02 -1.21 0.70 0.00 0.00 175.22 171.97 3cma s GLU 183 N -4.74 3.51 0.36 0.44 0.41 -0.88 -1.95 118.70 115.85 3cma s GLU 183 Ca 0.65 -0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 54.39 3cma s GLU 183 Cb -0.21 -3.18 -0.09 0.00 -1.78 0.00 0.00 34.13 28.87 3cma s GLU 183 CO 0.59 -0.20 1.16 -1.21 -0.49 0.00 0.00 175.26 175.11 3cma s GLU 184 N 1.55 4.26 -0.16 1.61 2.02 -1.26 -1.80 118.70 124.92 3cma s GLU 184 Ca 0.06 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.92 3cma s GLU 184 Cb -0.15 -2.86 0.03 0.00 0.10 0.00 0.00 34.13 31.25 3cma s GLU 184 CO 0.00 -0.15 -0.11 0.08 0.02 0.00 0.00 175.26 175.10 3cma s VAL 185 N -1.33 1.46 -0.07 2.63 1.01 -0.49 -4.91 120.40 118.71 3cma s VAL 185 Ca 0.53 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3cma s VAL 185 Cb -0.32 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3cma s VAL 185 CO 0.41 0.34 1.38 -0.60 0.00 0.00 0.00 175.10 176.63 3cma s ARG 186 N 1.51 4.25 -0.07 2.72 6.06 -1.26 -0.44 118.95 131.72 3cma s ARG 186 Ca 0.03 1.88 0.03 0.00 -2.50 0.00 0.00 55.73 55.17 3cma s ARG 186 Cb -0.14 -3.71 0.01 0.00 0.06 0.00 0.00 34.95 31.17 3cma s ARG 186 CO -0.09 -0.65 -0.16 0.54 -2.50 0.00 0.00 175.30 172.43 3cma s VAL 187 N 3.05 1.41 -0.06 7.11 0.11 0.08 -4.92 120.40 127.17 3cma s VAL 187 Ca 0.62 -0.65 0.12 0.00 -2.93 0.00 0.00 61.98 59.14 3cma s VAL 187 Cb -0.28 -1.26 -0.18 0.00 -1.53 0.00 0.00 36.38 33.14 3cma s VAL 187 CO 0.23 0.42 0.28 1.41 -3.33 0.00 0.00 175.10 174.10 3cma n HIS 188 N 3.67 0.00 -3.28 1.54 -0.00 -1.26 -0.86 115.22 115.02 3cma n HIS 188 Ca -0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.47 3cma n HIS 188 Cb 0.52 -0.24 0.01 0.00 -0.00 0.00 0.00 29.99 30.28 3cma n HIS 188 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 3cma n ASN 189 N -1.85 -0.80 -0.07 0.41 2.04 -1.26 -4.89 115.26 108.84 3cma n ASN 189 Ca -0.02 -1.56 -0.13 0.00 -0.44 0.00 0.00 54.58 52.43 3cma n ASN 189 Cb 0.29 1.34 -0.06 0.00 -2.53 0.00 0.00 39.78 38.82 3cma n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 3cma h VAL 190 N 1.35 1.33 -0.13 3.53 2.07 -1.95 -2.82 116.25 119.63 3cma h VAL 190 Ca -0.12 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.03 3cma h VAL 190 Cb 0.43 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3cma h VAL 190 CO 0.15 0.43 0.43 0.44 0.02 0.00 0.00 177.57 179.03 3cma h ASP 191 N 0.17 0.00 1.38 0.57 3.32 -1.98 0.48 116.42 120.37 3cma h ASP 191 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3cma h ASP 191 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3cma h ASP 191 CO 0.05 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.01 3cma h ASP 192 N 0.00 0.00 1.88 6.45 3.32 -1.91 -3.04 116.42 123.13 3cma h ASP 192 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3cma h ASP 192 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 3cma h ASP 192 CO -0.00 0.00 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 3cma h LEU 193 N 0.00 0.00 -9.11 1.55 3.38 -0.14 -3.44 115.31 107.55 3cma h LEU 193 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3cma h LEU 193 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3cma h LEU 193 CO 0.00 0.00 1.00 -0.70 0.09 0.00 0.00 178.44 178.84 3cma s GLU 194 N -3.26 4.07 0.00 1.13 2.12 -1.15 -2.43 118.70 119.18 3cma s GLU 194 Ca 0.06 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.08 3cma s GLU 194 Cb 0.05 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.55 3cma s GLU 194 CO 0.66 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 3cma n GLY 195 N 4.08 0.78 3.75 -1.50 0.00 -1.26 -5.08 105.19 105.96 3cma n GLY 195 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3cma n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 196 N -2.00 4.96 -0.52 1.61 1.01 -1.02 -5.04 120.40 119.39 3cma s VAL 196 Ca 0.00 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.07 3cma s VAL 196 Cb 0.00 -3.93 0.13 0.00 0.00 0.00 0.00 36.38 32.57 3cma s VAL 196 CO 0.00 0.39 0.47 -0.62 0.00 0.00 0.00 175.10 175.33 3cma s ASP 197 N 0.02 6.09 0.00 3.32 2.15 -1.26 -4.95 116.67 122.04 3cma s ASP 197 Ca 0.31 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.50 3cma s ASP 197 Cb -0.18 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 3cma s ASP 197 CO 0.17 -0.82 0.76 0.61 -0.17 0.00 0.00 175.17 175.71 3cma n GLY 198 N 5.18 -0.28 0.11 2.66 0.00 -1.26 -0.55 105.19 111.05 3cma n GLY 198 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3cma n GLY 198 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cma h ASP 199 N 0.00 0.00 0.00 1.61 3.32 -1.93 -3.41 116.42 116.01 3cma h ASP 199 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3cma h ASP 199 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3cma h ASP 199 CO 0.00 0.59 -1.47 0.41 -1.72 0.00 0.00 179.24 177.06 3cma n THR 200 N -3.06 0.46 -3.89 0.35 -1.04 -0.48 -2.66 114.28 103.95 3cma n THR 200 Ca -0.05 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 3cma n THR 200 Cb 0.81 -1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 67.96 3cma n THR 200 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cma s GLU 201 N -2.16 3.46 0.19 -2.82 2.02 0.28 -2.08 118.70 117.60 3cma s GLU 201 Ca -0.11 -0.45 0.11 0.00 0.02 0.00 0.00 54.97 54.54 3cma s GLU 201 Cb 0.04 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3cma s GLU 201 CO 0.16 0.56 -0.23 0.00 0.02 0.00 0.00 175.26 175.77 3cma s ALA 202 N -1.61 2.43 0.05 5.21 0.00 -0.75 -4.16 121.76 122.94 3cma s ALA 202 Ca 0.36 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.74 3cma s ALA 202 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3cma s ALA 202 CO 0.28 0.39 -0.04 0.54 0.00 0.00 0.00 175.76 176.93 3cma s VAL 203 N -1.76 3.81 -0.17 0.00 0.11 0.95 -1.39 120.40 121.95 3cma s VAL 203 Ca 0.20 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3cma s VAL 203 Cb -0.07 -2.75 0.04 0.00 -1.53 0.00 0.00 36.38 32.07 3cma s VAL 203 CO 0.09 0.24 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.44 3cma s ARG 204 N -1.92 1.47 -0.01 1.54 3.52 0.41 -0.22 118.95 123.75 3cma s ARG 204 Ca 0.21 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 3cma s ARG 204 Cb -0.11 -2.03 -0.03 0.00 -1.56 0.00 0.00 34.95 31.21 3cma s ARG 204 CO 0.13 -0.43 1.06 0.42 -0.81 0.00 0.00 175.30 175.67 3cma s ILE 205 N 1.62 4.58 0.57 4.11 1.01 -1.26 -0.74 121.20 131.08 3cma s ILE 205 Ca 0.01 1.86 -0.18 0.00 0.00 0.00 0.00 60.65 62.33 3cma s ILE 205 Cb -0.15 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 3cma s ILE 205 CO -0.08 0.11 0.64 0.00 0.00 0.00 0.00 174.94 175.61 3cma n ALA 206 N 4.21 -0.82 0.05 9.38 0.00 -0.04 -4.88 120.51 128.41 3cma n ALA 206 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 3cma n ALA 206 Cb 0.49 -1.90 0.11 0.00 0.00 0.00 0.00 19.45 18.16 3cma n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cma h SER 207 N 0.34 0.40 -0.82 0.00 4.64 -1.94 -3.10 113.55 113.07 3cma h SER 207 Ca -0.46 -0.21 0.06 0.00 -0.47 0.00 0.00 61.79 60.71 3cma h SER 207 Cb 1.39 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 3cma h SER 207 CO 0.48 0.87 0.54 0.11 -0.87 0.00 0.00 176.83 177.96 3cma h LYS 208 N 0.28 0.88 -6.27 4.77 1.57 -1.99 -3.42 116.57 112.39 3cma h LYS 208 Ca 0.01 -0.05 -0.67 0.00 -1.87 0.00 0.00 60.65 58.06 3cma h LYS 208 Cb 1.05 -0.20 0.03 0.00 0.08 0.00 0.00 32.23 33.19 3cma h LYS 208 CO 0.09 0.58 0.78 0.28 -0.57 0.00 0.00 179.45 180.61 3cma n VAL 209 N -4.48 0.21 -1.42 0.50 0.31 -1.18 -4.93 118.33 107.35 3cma n VAL 209 Ca 0.12 -0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 64.12 3cma n VAL 209 Cb 0.21 -1.26 0.11 0.00 -0.91 0.00 0.00 33.84 31.99 3cma n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cma s GLY 210 N 2.23 1.62 0.40 2.92 0.00 -1.26 -4.82 107.32 108.40 3cma s GLY 210 Ca 0.90 -0.18 0.11 0.00 0.00 0.00 0.00 44.72 45.54 3cma s GLY 210 CO 0.53 0.28 1.95 0.00 0.00 0.00 0.00 173.10 175.85 3cma h ALA 211 N -1.31 1.90 0.11 3.20 0.00 -1.96 -1.17 119.26 120.03 3cma h ALA 211 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3cma h ALA 211 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3cma h ALA 211 CO 0.58 -0.05 -0.05 -0.09 0.00 0.00 0.00 179.25 179.64 3cma h ARG 212 N 0.57 -0.14 0.00 0.00 2.43 -2.01 -2.91 114.38 112.32 3cma h ARG 212 Ca 0.33 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.41 3cma h ARG 212 Cb 0.52 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3cma h ARG 212 CO -0.11 0.19 -0.46 -0.22 -1.51 0.00 0.00 179.97 177.86 3cma h LYS 213 N -0.48 0.00 -0.72 0.20 3.64 -1.89 -2.88 116.57 114.45 3cma h LYS 213 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3cma h LYS 213 Cb 0.39 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3cma h LYS 213 CO 0.02 0.46 0.36 0.00 -2.27 0.00 0.00 179.45 178.02 3cma h ARG 214 N 0.00 1.01 0.18 1.90 3.08 -1.20 -1.49 114.38 117.86 3cma h ARG 214 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3cma h ARG 214 Cb 0.83 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3cma h ARG 214 CO 0.06 0.77 -0.18 1.49 -1.07 0.00 0.00 179.97 181.04 3cma h GLU 215 N 1.01 -0.37 0.78 0.04 4.81 -1.30 0.58 114.58 120.13 3cma h GLU 215 Ca 0.25 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3cma h GLU 215 Cb 0.08 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3cma h GLU 215 CO -0.04 -0.25 -0.50 0.00 -0.73 0.00 0.00 179.01 177.50 3cma h ARG 216 N -0.39 -1.16 -1.01 1.92 3.08 -1.52 -1.78 114.38 113.52 3cma h ARG 216 Ca 0.00 0.08 0.25 0.00 0.07 0.00 0.00 59.98 60.38 3cma h ARG 216 Cb 0.37 0.26 -0.12 0.00 0.08 0.00 0.00 29.97 30.56 3cma h ARG 216 CO -0.05 -0.77 0.60 0.82 -1.07 0.00 0.00 179.97 179.51 3cma h ILE 217 N -1.20 0.53 -0.45 2.04 2.04 -1.12 -0.90 117.51 118.45 3cma h ILE 217 Ca -0.10 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3cma h ILE 217 Cb 0.97 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3cma h ILE 217 CO 0.09 0.10 -0.16 -0.33 0.00 0.00 0.00 178.15 177.85 3cma h GLU 218 N 0.56 0.89 -0.15 2.37 5.08 0.59 -1.97 114.58 121.96 3cma h GLU 218 Ca 0.64 -0.37 -0.23 0.00 -1.00 0.00 0.00 59.36 58.41 3cma h GLU 218 Cb 1.27 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.49 3cma h GLU 218 CO -0.46 1.01 -0.79 1.05 -1.00 0.00 0.00 179.01 178.82 3cma h GLU 219 N 0.73 0.80 -0.16 2.33 4.11 -0.35 -2.68 114.58 119.36 3cma h GLU 219 Ca 0.11 -0.66 -0.08 0.00 0.07 0.00 0.00 59.36 58.80 3cma h GLU 219 Cb 0.71 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3cma h GLU 219 CO 0.05 1.26 -0.24 1.49 0.07 0.00 0.00 179.01 181.65 3cma h GLU 220 N 0.54 0.29 -0.33 1.06 4.57 -1.27 -2.87 114.58 116.56 3cma h GLU 220 Ca -0.06 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 57.89 3cma h GLU 220 Cb 1.43 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.99 3cma h GLU 220 CO 0.16 0.52 -0.36 0.00 -1.18 0.00 0.00 179.01 178.16 3cma h ALA 221 N 1.49 0.49 0.20 2.92 0.00 -1.32 -2.88 119.26 120.15 3cma h ALA 221 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3cma h ALA 221 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3cma h ALA 221 CO 0.04 0.56 -0.24 1.49 0.00 0.00 0.00 179.25 181.10 3cma h GLU 222 N 0.60 -0.47 -0.48 0.00 4.81 -1.27 -0.58 114.58 117.19 3cma h GLU 222 Ca 0.05 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 3cma h GLU 222 Cb 0.94 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3cma h GLU 222 CO 0.09 -0.31 0.33 -0.44 -0.73 0.00 0.00 179.01 177.94 3cma h ASP 223 N -0.49 0.21 -0.03 1.04 3.32 -1.53 0.73 116.42 119.68 3cma h ASP 223 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cma h ASP 223 Cb 0.47 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3cma h ASP 223 CO -0.08 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 3cma n ALA 224 N -2.56 2.57 -2.18 3.45 0.00 -0.93 -4.87 120.51 115.99 3cma n ALA 224 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 3cma n ALA 224 Cb 0.38 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3cma n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 225 N 0.79 -0.04 3.56 0.00 0.00 0.26 -4.57 105.19 105.18 3cma n GLY 225 Ca 0.11 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3cma n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cma s ILE 226 N -2.56 4.36 0.25 -0.61 1.01 -0.27 -4.42 121.20 118.96 3cma s ILE 226 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 3cma s ILE 226 Cb 0.00 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.43 3cma s ILE 226 CO 0.00 0.46 1.03 -0.60 0.00 0.00 0.00 174.94 175.84 3cma s ARG 227 N 0.47 4.72 -0.32 2.79 3.52 -1.26 -4.08 118.95 124.80 3cma s ARG 227 Ca 0.00 1.66 -0.07 0.00 -0.13 0.00 0.00 55.73 57.20 3cma s ARG 227 Cb -0.13 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3cma s ARG 227 CO 0.02 0.32 0.09 0.08 -0.81 0.00 0.00 175.30 174.99 3cma s VAL 228 N -1.03 3.87 0.36 7.11 1.01 -1.26 -0.03 120.40 130.43 3cma s VAL 228 Ca 0.44 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3cma s VAL 228 Cb -0.29 -3.09 0.30 0.00 0.00 0.00 0.00 36.38 33.31 3cma s VAL 228 CO 0.37 -0.04 1.93 -0.07 0.00 0.00 0.00 175.10 177.28 3cma h LEU 229 N 8.23 0.66 -6.71 3.92 3.38 -0.96 -3.25 115.31 120.58 3cma h LEU 229 Ca -0.28 0.02 -0.68 0.00 0.09 0.00 0.00 57.88 57.03 3cma h LEU 229 Cb 1.11 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 41.36 3cma h LEU 229 CO 0.60 0.40 -0.15 -0.46 0.09 0.00 0.00 178.44 178.92 3cma n ASN 230 N -4.50 4.42 -4.82 -0.43 6.94 -1.26 -5.08 115.26 110.53 3cma n ASN 230 Ca 0.13 -3.34 -0.32 0.00 -0.02 0.00 0.00 54.58 51.03 3cma n ASN 230 Cb 0.32 -0.91 0.02 0.00 -2.36 0.00 0.00 39.78 36.85 3cma n ASN 230 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3cma s PRO 231 N -2.20 3.27 0.07 -0.53 0.04 -1.23 -4.80 135.00 129.62 3cma s PRO 231 Ca 0.34 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 3cma s PRO 231 Cb 0.06 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3cma s PRO 231 CO -0.03 -0.84 0.58 0.99 0.04 0.00 0.00 177.00 177.75 3cma s THR 232 N -2.72 4.73 -0.33 1.26 2.01 -1.26 -4.88 115.64 114.45 3cma s THR 232 Ca 0.61 1.24 -0.10 0.00 0.31 0.00 0.00 61.69 63.75 3cma s THR 232 Cb -0.14 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.46 3cma s THR 232 CO 0.44 0.54 0.17 -0.31 -0.69 0.00 0.00 174.62 174.77 3cma s TYR 233 N -1.03 3.20 0.39 4.92 1.51 -1.26 -1.32 117.35 123.75 3cma s TYR 233 Ca 0.29 -0.67 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 3cma s TYR 233 Cb -0.20 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3cma s TYR 233 CO 0.19 -0.51 0.34 0.08 -1.11 0.00 0.00 175.55 174.54 3cma s VAL 234 N 1.60 2.97 -0.26 0.71 1.01 -0.30 -4.83 120.40 121.30 3cma s VAL 234 Ca 0.04 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 3cma s VAL 234 Cb -0.18 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3cma s VAL 234 CO 0.06 -0.07 0.11 -1.61 0.00 0.00 0.00 175.10 173.59 3cma s GLU 235 N -4.07 3.67 0.00 2.72 8.01 -1.26 0.37 118.70 128.14 3cma s GLU 235 Ca 0.45 -0.48 0.05 0.00 0.01 0.00 0.00 54.97 55.00 3cma s GLU 235 Cb -0.04 -3.43 0.04 0.00 -4.31 0.00 0.00 34.13 26.39 3cma s GLU 235 CO 0.27 -0.22 0.65 0.28 0.01 0.00 0.00 175.26 176.25