#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s n GLU 96 N 0.00 0.87 -3.57 -2.82 0.28 -0.51 -4.91 120.64 109.99 3g4s n GLU 96 Ca 0.00 -3.17 -0.37 0.00 -0.16 0.00 0.00 57.16 53.46 3g4s n GLU 96 Cb 0.00 0.68 -0.09 0.00 1.43 0.00 0.00 31.44 33.46 3g4s n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3g4s s LEU 97 N 0.00 4.11 -0.05 -1.84 1.43 -1.26 -0.67 118.68 120.40 3g4s s LEU 97 Ca 0.09 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3g4s s LEU 97 Cb -0.01 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3g4s s LEU 97 CO 0.06 -0.00 -0.15 -1.10 0.23 0.00 0.00 176.35 175.39 3g4s s GLN 98 N 1.28 1.71 0.20 1.70 -0.21 -0.08 -4.95 119.66 119.31 3g4s s GLN 98 Ca 0.11 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.68 3g4s s GLN 98 Cb -0.14 -1.45 -0.08 0.00 1.00 0.00 0.00 33.01 32.34 3g4s s GLN 98 CO 0.06 0.15 1.07 0.00 -2.12 0.00 0.00 175.29 174.45 3g4s s ALA 99 N 0.30 3.36 0.32 6.09 0.00 -1.26 -1.52 121.76 129.04 3g4s s ALA 99 Ca -0.08 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 3g4s s ALA 99 Cb -0.13 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 3g4s s ALA 99 CO 0.03 -0.13 1.15 1.03 0.00 0.00 0.00 175.76 177.84 3g4s s ARG 100 N -0.61 4.47 0.59 0.00 0.52 -0.94 -4.88 118.95 118.10 3g4s s ARG 100 Ca 0.47 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 3g4s s ARG 100 Cb -0.29 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.13 3g4s s ARG 100 CO 0.35 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.11 3g4s n GLY 101 N 0.97 -1.79 2.79 -3.53 0.00 -1.26 -4.68 105.19 97.69 3g4s n GLY 101 Ca 0.00 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 3g4s n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g4s n LEU 102 N 0.00 6.64 -0.16 0.99 4.77 -1.26 -4.85 117.00 123.13 3g4s n LEU 102 Ca 0.00 -5.34 0.08 0.00 -0.03 0.00 0.00 56.01 50.72 3g4s n LEU 102 Cb 0.00 -1.15 0.39 0.00 -2.33 0.00 0.00 43.42 40.33 3g4s n LEU 102 CO 0.00 1.93 1.21 0.74 -1.33 0.00 0.00 177.39 179.93 3g4s h THR 103 N 2.80 0.98 -0.59 -5.08 2.02 -1.87 -2.70 112.91 108.47 3g4s h THR 103 Ca 0.36 -0.23 -0.35 0.00 0.77 0.00 0.00 66.41 66.96 3g4s h THR 103 Cb 0.47 0.26 -0.18 0.00 -1.74 0.00 0.00 68.15 66.96 3g4s h THR 103 CO 1.21 0.12 0.45 -0.62 0.37 0.00 0.00 175.52 177.05 3g4s n GLU 104 N -4.48 1.86 -3.80 6.66 -0.58 -1.26 -4.94 120.64 114.10 3g4s n GLU 104 Ca 0.11 -1.86 -0.37 0.00 -0.42 0.00 0.00 57.16 54.62 3g4s n GLU 104 Cb 0.27 -1.73 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 3g4s n GLU 104 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3g4s s LYS 105 N -2.09 3.56 -0.04 3.49 2.20 -1.02 -5.11 119.74 120.73 3g4s s LYS 105 Ca 0.36 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.99 3g4s s LYS 105 Cb 0.29 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 33.40 3g4s s LYS 105 CO 0.03 0.75 -0.16 0.99 -0.36 0.00 0.00 175.35 176.60 3g4s s THR 106 N -0.99 1.36 0.39 3.43 2.01 -1.26 -5.07 115.64 115.51 3g4s s THR 106 Ca 0.17 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 3g4s s THR 106 Cb -0.13 -1.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.13 3g4s s THR 106 CO 0.06 0.39 0.82 -2.16 -0.69 0.00 0.00 174.62 173.04 3g4s s PRO 107 N 0.00 3.97 -0.42 4.92 0.04 -1.26 -5.02 135.00 137.23 3g4s s PRO 107 Ca -0.03 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 3g4s s PRO 107 Cb -0.11 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.12 3g4s s PRO 107 CO 0.02 0.00 0.58 0.16 0.04 0.00 0.00 177.00 177.80 3g4s s ASP 108 N -2.63 6.30 0.30 6.66 -4.77 -1.19 -5.01 116.67 116.33 3g4s s ASP 108 Ca 0.55 -0.35 0.08 0.00 -3.30 0.00 0.00 52.55 49.53 3g4s s ASP 108 Cb -0.10 -2.29 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 3g4s s ASP 108 CO 0.23 -0.69 0.17 -0.76 0.70 0.00 0.00 175.17 174.82 3g4s s LEU 109 N 2.60 3.49 0.69 2.11 1.43 -1.26 -4.91 118.68 122.83 3g4s s LEU 109 Ca 0.20 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 3g4s s LEU 109 Cb -0.15 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3g4s s LEU 109 CO 0.17 -0.18 1.13 -0.94 0.23 0.00 0.00 176.35 176.76 3g4s s SER 110 N -3.85 4.77 0.47 2.29 1.04 -1.26 -4.80 113.70 112.36 3g4s s SER 110 Ca 0.36 2.09 0.30 0.00 0.48 0.00 0.00 55.95 59.18 3g4s s SER 110 Cb -0.06 -2.56 1.64 0.00 0.10 0.00 0.00 66.02 65.14 3g4s s SER 110 CO 0.24 -1.86 1.92 0.44 0.98 0.00 0.00 173.24 174.95 3g4s h ASP 111 N -0.17 0.00 0.02 7.02 3.32 -2.00 -1.76 116.42 122.85 3g4s h ASP 111 Ca -0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 3g4s h ASP 111 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3g4s h ASP 111 CO 0.52 0.00 -1.05 -0.08 -1.72 0.00 0.00 179.24 176.92 3g4s h GLU 112 N 0.00 0.04 -0.52 3.56 4.57 -1.99 -3.28 114.58 116.96 3g4s h GLU 112 Ca 0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3g4s h GLU 112 Cb 0.09 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3g4s h GLU 112 CO 0.00 1.03 0.16 -0.44 -1.18 0.00 0.00 179.01 178.58 3g4s h ASP 113 N -0.88 0.71 0.43 1.04 5.19 -1.79 0.08 116.42 121.20 3g4s h ASP 113 Ca -0.28 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3g4s h ASP 113 Cb 1.32 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.65 3g4s h ASP 113 CO -0.13 0.67 0.00 0.00 -3.12 0.00 0.00 179.24 176.66 3g4s n ALA 114 N -2.46 2.22 -0.13 3.45 0.00 -0.71 -1.57 120.51 121.32 3g4s n ALA 114 Ca 0.04 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 3g4s n ALA 114 Cb 0.19 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 3g4s n ALA 114 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3g4s n ARG 115 N -1.27 0.62 0.00 0.00 0.63 -0.65 -3.75 116.66 112.23 3g4s n ARG 115 Ca 0.11 0.15 0.10 0.00 -0.92 0.00 0.00 57.85 57.29 3g4s n ARG 115 Cb 0.19 -1.49 0.46 0.00 0.45 0.00 0.00 32.46 32.07 3g4s n ARG 115 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3g4s n LEU 116 N -3.30 0.00 -0.08 6.15 4.77 -0.08 -1.75 117.00 122.72 3g4s n LEU 116 Ca -0.45 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 3g4s n LEU 116 Cb 0.96 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 3g4s n LEU 116 CO 0.23 -0.13 -1.13 -0.11 -1.33 0.00 0.00 177.39 174.93 3g4s n LEU 117 N -1.37 2.56 0.00 2.23 0.00 -0.60 -3.27 117.00 116.55 3g4s n LEU 117 Ca 0.07 0.01 0.09 0.00 0.00 0.00 0.00 56.01 56.18 3g4s n LEU 117 Cb 0.19 -0.83 0.54 0.00 0.00 0.00 0.00 43.42 43.31 3g4s n LEU 117 CO 0.16 0.86 0.77 0.41 0.00 0.00 0.00 177.39 179.59 3g4s n THR 118 N -3.29 0.00 -0.12 1.96 -1.04 -0.86 -1.48 114.28 109.45 3g4s n THR 118 Ca -0.39 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.38 3g4s n THR 118 Cb 1.02 -0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 68.95 3g4s n THR 118 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3g4s n GLN 119 N -0.88 0.54 -0.28 -2.82 7.27 -0.72 -3.95 117.38 116.55 3g4s n GLN 119 Ca 0.14 0.23 0.05 0.00 0.07 0.00 0.00 57.00 57.49 3g4s n GLN 119 Cb 0.06 -1.42 0.19 0.00 2.41 0.00 0.00 30.24 31.49 3g4s n GLN 119 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3g4s h ARG 120 N -0.94 0.62 -0.57 3.69 2.43 -1.44 0.41 114.38 118.58 3g4s h ARG 120 Ca -0.52 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.52 3g4s h ARG 120 Cb 1.44 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3g4s h ARG 120 CO -0.31 0.41 0.00 1.25 -1.51 0.00 0.00 179.97 179.81 3g4s h HIS 121 N 0.63 1.09 0.23 2.20 2.76 -1.50 -0.63 115.15 119.94 3g4s h HIS 121 Ca 0.42 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3g4s h HIS 121 Cb 0.53 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3g4s h HIS 121 CO -0.10 0.98 -0.11 -0.09 -1.30 0.00 0.00 177.93 177.31 3g4s h ARG 122 N 0.89 -0.30 0.35 5.26 2.43 -1.23 -3.38 114.38 118.40 3g4s h ARG 122 Ca 0.16 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3g4s h ARG 122 Cb 0.54 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3g4s h ARG 122 CO 0.03 0.04 -0.17 0.28 -1.51 0.00 0.00 179.97 178.65 3g4s h VAL 123 N -0.95 0.00 0.00 0.20 2.07 -0.33 -3.49 116.25 113.75 3g4s h VAL 123 Ca -0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3g4s h VAL 123 Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3g4s h VAL 123 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 3g4s n GLY 124 N -0.57 -0.92 3.46 2.17 0.00 -0.24 -5.00 105.19 104.09 3g4s n GLY 124 Ca -0.06 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3g4s n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s LYS 125 N 0.00 1.31 0.83 1.61 -2.85 -1.26 -5.04 119.74 114.34 3g4s s LYS 125 Ca 0.00 -0.64 -0.12 0.00 -1.00 0.00 0.00 55.97 54.21 3g4s s LYS 125 Cb 0.00 0.56 0.10 0.00 -2.06 0.00 0.00 37.83 36.43 3g4s s LYS 125 CO 0.00 -0.57 1.19 -1.25 0.10 0.00 0.00 175.35 174.83 3g4s s PRO 126 N -3.80 1.69 0.31 1.78 0.04 -1.26 -4.98 135.00 128.78 3g4s s PRO 126 Ca 0.04 -0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.03 3g4s s PRO 126 Cb -0.01 -1.96 0.55 0.00 0.04 0.00 0.00 34.50 33.13 3g4s s PRO 126 CO -0.09 -1.74 1.91 1.96 0.04 0.00 0.00 177.00 179.08 3g4s h GLN 127 N -1.13 0.97 -6.01 4.56 4.20 -2.03 -3.47 115.11 112.21 3g4s h GLN 127 Ca -0.45 -0.06 -0.44 0.00 0.06 0.00 0.00 58.65 57.76 3g4s h GLN 127 Cb 1.31 -0.22 0.05 0.00 0.30 0.00 0.00 27.48 28.92 3g4s h GLN 127 CO 0.59 0.64 -0.71 1.19 -0.67 0.00 0.00 178.83 179.87 3g4s n PHE 128 N -4.49 -2.57 -2.27 2.96 0.99 -1.26 -4.99 117.46 105.83 3g4s n PHE 128 Ca 0.14 0.94 -0.31 0.00 -0.00 0.00 0.00 57.45 58.22 3g4s n PHE 128 Cb 0.21 -4.49 -0.01 0.00 -1.00 0.00 0.00 39.48 34.20 3g4s n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3g4s s ASN 129 N -3.27 6.38 0.54 4.37 0.01 -1.26 -4.33 114.94 117.37 3g4s s ASN 129 Ca 0.62 1.34 -0.22 0.00 -0.71 0.00 0.00 52.86 53.89 3g4s s ASN 129 Cb -0.29 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 3g4s s ASN 129 CO 0.76 -0.68 1.34 -0.60 -1.51 0.00 0.00 177.10 176.41 3g4s s ARG 130 N -4.63 3.20 0.20 -0.60 3.52 -1.17 -4.87 118.95 114.60 3g4s s ARG 130 Ca 0.54 2.19 -0.32 0.00 -0.13 0.00 0.00 55.73 58.02 3g4s s ARG 130 Cb -0.10 -2.27 -0.11 0.00 -1.56 0.00 0.00 34.95 30.90 3g4s s ARG 130 CO 0.43 -1.13 1.66 1.14 -0.81 0.00 0.00 175.30 176.59 3g4s s GLN 131 N -2.88 4.16 -1.49 5.12 -2.07 -1.26 -2.46 119.66 118.78 3g4s s GLN 131 Ca 0.71 2.51 0.00 0.00 -1.82 0.00 0.00 55.36 56.76 3g4s s GLN 131 Cb -0.39 -3.10 0.00 0.00 -1.09 0.00 0.00 33.01 28.42 3g4s s GLN 131 CO 0.47 -0.69 0.00 -0.25 -1.32 0.00 0.00 175.29 173.50 3g4s n ASP 132 N 3.89 -4.87 0.21 12.60 8.00 -1.26 -4.89 116.55 130.22 3g4s n ASP 132 Ca 0.15 0.10 0.05 0.00 0.71 0.00 0.00 54.79 55.79 3g4s n ASP 132 Cb 0.37 -3.94 0.47 0.00 -0.02 0.00 0.00 41.12 38.00 3g4s n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3g4s h HIS 133 N 0.00 0.03 0.00 1.24 2.07 -1.72 -1.70 115.15 115.06 3g4s h HIS 133 Ca -0.37 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 3g4s h HIS 133 Cb 1.22 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3g4s h HIS 133 CO 0.44 0.23 -0.08 -2.39 -3.07 0.00 0.00 177.93 173.06 3g4s n HIS 134 N -4.29 0.51 0.01 6.12 1.44 -1.26 -3.81 115.22 113.94 3g4s n HIS 134 Ca -0.02 0.15 -0.14 0.00 -2.01 0.00 0.00 57.72 55.70 3g4s n HIS 134 Cb 0.27 -0.72 -0.14 0.00 0.12 0.00 0.00 29.99 29.52 3g4s n HIS 134 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3g4s h LYS 135 N 0.00 0.12 -5.05 -1.40 1.57 -1.68 -3.47 116.57 106.66 3g4s h LYS 135 Ca 0.00 -0.21 -0.46 0.00 -1.87 0.00 0.00 60.65 58.11 3g4s h LYS 135 Cb 0.64 0.08 -0.29 0.00 0.08 0.00 0.00 32.23 32.73 3g4s h LYS 135 CO 0.00 0.85 -0.80 0.21 -0.57 0.00 0.00 179.45 179.14 3g4s s LYS 136 N -2.60 1.07 0.35 3.15 2.47 -1.18 -5.03 119.74 117.97 3g4s s LYS 136 Ca -0.10 -0.44 0.18 0.00 -1.56 0.00 0.00 55.97 54.06 3g4s s LYS 136 Cb 0.07 -1.02 0.51 0.00 -1.46 0.00 0.00 37.83 35.94 3g4s s LYS 136 CO 0.82 0.24 1.65 0.87 0.16 0.00 0.00 175.35 179.09 3g4s h LYS 137 N 5.95 0.00 0.00 4.03 1.57 -1.91 -3.01 116.57 123.21 3g4s h LYS 137 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3g4s h LYS 137 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3g4s h LYS 137 CO 0.49 0.40 0.00 0.07 -0.57 0.00 0.00 179.45 179.84 3g4s h ARG 138 N 0.00 0.00 -5.25 3.15 0.11 -1.96 -3.41 114.38 107.02 3g4s h ARG 138 Ca -0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.41 3g4s h ARG 138 Cb 1.04 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.96 3g4s h ARG 138 CO 0.05 0.00 0.16 0.08 0.10 0.00 0.00 179.97 180.36 3g4s s VAL 139 N -3.28 4.77 0.81 0.08 1.01 -1.14 -5.04 120.40 117.62 3g4s s VAL 139 Ca 0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3g4s s VAL 139 Cb 0.08 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.22 3g4s s VAL 139 CO 0.61 -0.80 1.09 -0.94 0.00 0.00 0.00 175.10 175.06 3g4s s SER 140 N 2.51 4.15 0.51 3.32 1.04 -1.26 -4.56 113.70 119.42 3g4s s SER 140 Ca 0.20 1.76 0.30 0.00 0.48 0.00 0.00 55.95 58.69 3g4s s SER 140 Cb -0.16 -2.44 1.17 0.00 0.10 0.00 0.00 66.02 64.68 3g4s s SER 140 CO 0.15 -2.25 1.91 0.00 0.98 0.00 0.00 173.24 174.04 3g4s h THR 141 N -1.28 0.17 -3.15 2.02 1.03 -1.93 -3.40 112.91 106.38 3g4s h THR 141 Ca -0.45 -0.73 -0.53 0.00 -0.01 0.00 0.00 66.41 64.69 3g4s h THR 141 Cb 1.25 1.62 0.01 0.00 -1.07 0.00 0.00 68.15 69.96 3g4s h THR 141 CO 0.52 0.07 0.63 -0.55 -0.01 0.00 0.00 175.52 176.18 3g4s s SER 142 N -5.88 6.97 0.26 0.00 0.15 -1.26 -3.04 113.70 110.89 3g4s s SER 142 Ca 0.01 2.18 -0.30 0.00 0.70 0.00 0.00 55.95 58.54 3g4s s SER 142 Cb 0.09 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.68 3g4s s SER 142 CO 0.58 -0.54 1.31 1.87 1.20 0.00 0.00 173.24 177.66 3g4s n TRP 143 N 3.76 2.00 -3.86 3.44 -0.00 -1.26 -4.35 117.44 117.17 3g4s n TRP 143 Ca 0.09 0.52 -0.12 0.00 -0.00 0.00 0.00 57.50 57.99 3g4s n TRP 143 Cb 0.44 -2.41 -0.13 0.00 -0.00 0.00 0.00 31.31 29.22 3g4s n TRP 143 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3g4s s ARG 144 N -0.87 0.16 -0.04 5.87 1.81 -1.26 -4.95 118.95 119.66 3g4s s ARG 144 Ca 0.65 -0.03 -0.30 0.00 -1.72 0.00 0.00 55.73 54.32 3g4s s ARG 144 Cb -0.66 0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 33.86 3g4s s ARG 144 CO 0.54 -0.03 1.44 0.21 -0.68 0.00 0.00 175.30 176.79 3g4s s LYS 145 N -0.29 4.25 -0.28 3.54 2.20 -1.26 -4.70 119.74 123.20 3g4s s LYS 145 Ca -0.03 1.98 -0.28 0.00 -0.36 0.00 0.00 55.97 57.27 3g4s s LYS 145 Cb -0.02 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3g4s s LYS 145 CO 0.00 -0.66 2.05 -1.25 -0.36 0.00 0.00 175.35 175.13 3g4s s PRO 146 N 2.96 3.16 0.14 4.03 0.04 -1.26 -4.84 135.00 139.23 3g4s s PRO 146 Ca 0.65 1.74 0.19 0.00 0.04 0.00 0.00 61.00 63.62 3g4s s PRO 146 Cb -0.30 -4.31 -0.06 0.00 0.04 0.00 0.00 34.50 29.86 3g4s s PRO 146 CO 0.25 -2.07 0.96 0.00 0.04 0.00 0.00 177.00 176.18 3g4s h ARG 147 N 14.39 0.00 -6.84 4.56 2.47 -2.00 -3.44 114.38 123.52 3g4s h ARG 147 Ca -0.37 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.82 3g4s h ARG 147 Cb 1.21 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 29.62 3g4s h ARG 147 CO 1.00 0.16 0.85 0.20 0.56 0.00 0.00 179.97 182.74 3g4s s GLY 148 N -4.58 2.36 0.48 0.04 0.00 -1.26 -4.92 107.32 99.44 3g4s s GLY 148 Ca -0.01 1.57 0.15 0.00 0.00 0.00 0.00 44.72 46.43 3g4s s GLY 148 CO 0.80 2.46 2.07 1.46 0.00 0.00 0.00 173.10 179.89 3g4s h GLN 149 N 4.32 0.20 -0.02 2.90 1.08 -2.04 -2.13 115.11 119.43 3g4s h GLN 149 Ca -0.48 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3g4s h GLN 149 Cb 1.23 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3g4s h GLN 149 CO 0.75 0.13 -0.28 1.28 -0.95 0.00 0.00 178.83 179.76 3g4s n LEU 150 N -4.48 2.07 -4.66 1.46 4.77 -1.26 -4.94 117.00 109.96 3g4s n LEU 150 Ca 0.03 -0.83 -0.51 0.00 -0.03 0.00 0.00 56.01 54.66 3g4s n LEU 150 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3g4s n LEU 150 CO 0.35 0.38 1.21 -0.24 -1.33 0.00 0.00 177.39 177.75 3g4s n SER 151 N 0.28 2.54 0.26 -1.43 2.88 -0.80 -4.86 113.62 112.49 3g4s n SER 151 Ca 0.09 1.07 0.12 0.00 -1.33 0.00 0.00 58.87 58.82 3g4s n SER 151 Cb 0.43 -1.27 0.67 0.00 -0.75 0.00 0.00 64.21 63.30 3g4s n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3g4s h LYS 152 N 6.58 0.00 0.15 -1.46 1.79 -1.95 0.13 116.57 121.81 3g4s h LYS 152 Ca -0.47 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.68 3g4s h LYS 152 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3g4s h LYS 152 CO 0.89 0.14 -1.56 0.37 -1.08 0.00 0.00 179.45 178.20 3g4s h GLN 153 N 0.00 0.32 -0.39 3.15 4.15 -1.86 -3.12 115.11 117.36 3g4s h GLN 153 Ca -0.00 -0.54 -0.14 0.00 0.77 0.00 0.00 58.65 58.74 3g4s h GLN 153 Cb 0.43 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3g4s h GLN 153 CO 0.02 1.20 -0.31 -0.09 -1.93 0.00 0.00 178.83 177.72 3g4s h ARG 154 N 0.09 0.90 0.00 1.69 2.43 -1.78 -2.98 114.38 114.73 3g4s h ARG 154 Ca -0.26 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3g4s h ARG 154 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 3g4s h ARG 154 CO 0.18 1.10 0.00 0.00 -1.51 0.00 0.00 179.97 179.74 3g4s h ARG 155 N 0.72 0.00 0.00 0.20 3.08 -0.87 -3.46 114.38 114.05 3g4s h ARG 155 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3g4s h ARG 155 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3g4s h ARG 155 CO 0.08 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 3g4s n GLY 156 N -0.30 2.48 1.02 0.04 0.00 -1.13 -5.03 105.19 102.28 3g4s n GLY 156 Ca 0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3g4s n GLY 156 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g4s n ILE 157 N 0.00 0.00 -1.68 -0.61 5.41 -1.18 -4.75 119.36 116.54 3g4s n ILE 157 Ca 0.00 0.00 -0.55 0.00 1.00 0.00 0.00 62.75 63.20 3g4s n ILE 157 Cb 0.00 -0.15 -0.06 0.00 -0.71 0.00 0.00 39.64 38.72 3g4s n ILE 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3g4s n LYS 158 N 2.46 1.35 0.00 0.38 4.81 -1.26 -2.67 118.16 123.23 3g4s n LYS 158 Ca 0.19 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3g4s n LYS 158 Cb 0.01 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.86 3g4s n LYS 158 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g4s n GLY 159 N 3.90 2.17 1.62 3.14 0.00 -1.26 -4.95 105.19 109.81 3g4s n GLY 159 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3g4s n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g4s n LYS 160 N -0.37 3.99 0.00 1.61 4.76 -1.09 -5.03 118.16 122.03 3g4s n LYS 160 Ca 0.00 -2.48 0.00 0.00 -2.87 0.00 0.00 58.31 52.96 3g4s n LYS 160 Cb 0.00 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.09 3g4s n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g4s n GLY 161 N 0.44 0.13 3.75 0.72 0.00 -1.26 -4.54 105.19 104.42 3g4s n GLY 161 Ca 0.23 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 3g4s n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g4s s ASP 162 N -1.82 6.50 0.17 1.61 1.01 -1.26 -4.94 116.67 117.93 3g4s s ASP 162 Ca 0.00 0.59 -0.11 0.00 0.71 0.00 0.00 52.55 53.74 3g4s s ASP 162 Cb 0.00 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.67 3g4s s ASP 162 CO 0.00 0.14 0.51 0.28 0.21 0.00 0.00 175.17 176.31 3g4s s THR 163 N 0.20 4.95 -0.04 -1.27 -1.32 -1.26 -4.77 115.64 112.12 3g4s s THR 163 Ca 0.18 0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 60.93 3g4s s THR 163 Cb -0.14 -3.66 -0.07 0.00 -1.51 0.00 0.00 72.50 67.12 3g4s s THR 163 CO 0.06 0.11 1.80 -0.69 -2.21 0.00 0.00 174.62 173.69 3g4s s VAL 164 N -1.61 3.34 0.22 5.08 1.01 -1.26 -5.00 120.40 122.19 3g4s s VAL 164 Ca 0.41 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3g4s s VAL 164 Cb -0.13 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3g4s s VAL 164 CO 0.20 -0.05 0.01 -1.61 0.00 0.00 0.00 175.10 173.65 3g4s s GLU 165 N 4.37 1.29 0.23 2.72 2.02 -1.26 -5.06 118.70 123.01 3g4s s GLU 165 Ca 0.80 -1.65 0.01 0.00 0.02 0.00 0.00 54.97 54.15 3g4s s GLU 165 Cb -0.36 -0.48 0.24 0.00 0.10 0.00 0.00 34.13 33.63 3g4s s GLU 165 CO 0.34 -0.13 1.58 0.00 0.02 0.00 0.00 175.26 177.07 3g4s h ALA 166 N 2.51 0.85 0.00 5.21 0.00 -2.02 -3.04 119.26 122.77 3g4s h ALA 166 Ca -0.38 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3g4s h ALA 166 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3g4s h ALA 166 CO 0.64 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.97 3g4s n GLY 167 N 0.11 -0.60 0.25 0.00 0.00 -1.26 -2.42 105.19 101.27 3g4s n GLY 167 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3g4s n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g4s n PHE 168 N -1.24 0.00 -0.54 1.61 3.01 -1.15 -4.97 117.46 114.19 3g4s n PHE 168 Ca 0.06 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.22 3g4s n PHE 168 Cb 0.08 -0.12 0.23 0.00 -0.01 0.00 0.00 39.48 39.66 3g4s n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3g4s n ARG 169 N -0.66 -2.04 -4.01 -1.08 5.12 -1.02 -4.98 116.66 107.98 3g4s n ARG 169 Ca 0.11 -0.56 -0.21 0.00 -1.93 0.00 0.00 57.85 55.26 3g4s n ARG 169 Cb 0.36 -2.12 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 3g4s n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3g4s s SER 170 N -2.34 5.96 0.30 0.55 1.04 -1.26 -5.07 113.70 112.88 3g4s s SER 170 Ca 0.66 -0.08 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 3g4s s SER 170 Cb -0.23 -1.64 -0.13 0.00 0.10 0.00 0.00 66.02 64.12 3g4s s SER 170 CO 0.64 -0.07 1.20 -2.65 0.98 0.00 0.00 173.24 173.34 3g4s n PRO 171 N -1.32 1.77 -0.31 4.02 -0.02 -1.26 -4.72 135.00 133.15 3g4s n PRO 171 Ca -0.08 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 3g4s n PRO 171 Cb 0.57 -2.14 0.39 0.00 -0.02 0.00 0.00 33.50 32.31 3g4s n PRO 171 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3g4s h THR 172 N 2.43 0.72 -0.62 3.45 2.02 -1.97 0.78 112.91 119.72 3g4s h THR 172 Ca -0.43 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3g4s h THR 172 Cb 1.31 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3g4s h THR 172 CO 0.64 0.12 0.19 0.00 0.37 0.00 0.00 175.52 176.84 3g4s h ALA 173 N 1.62 0.81 0.00 6.16 0.00 -1.99 -3.33 119.26 122.54 3g4s h ALA 173 Ca 0.53 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3g4s h ALA 173 Cb 0.97 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3g4s h ALA 173 CO -0.29 0.49 -2.07 0.28 0.00 0.00 0.00 179.25 177.66 3g4s n VAL 174 N -4.37 0.59 -1.48 0.00 0.31 -0.85 -5.02 118.33 107.51 3g4s n VAL 174 Ca 0.04 -0.61 -0.61 0.00 -0.01 0.00 0.00 64.34 63.15 3g4s n VAL 174 Cb 0.22 -0.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 3g4s n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3g4s n ARG 175 N -2.42 0.00 -0.48 5.55 0.63 0.21 -1.58 116.66 118.56 3g4s n ARG 175 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3g4s n ARG 175 Cb 0.79 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 32.30 3g4s n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g4s n GLY 176 N 4.79 0.74 3.85 5.14 0.00 -1.26 -5.04 105.19 113.41 3g4s n GLY 176 Ca 0.36 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3g4s n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4s s LYS 177 N -0.69 3.80 0.43 1.61 1.02 -0.62 -4.64 119.74 120.65 3g4s s LYS 177 Ca 0.00 0.28 -0.26 0.00 0.02 0.00 0.00 55.97 56.01 3g4s s LYS 177 Cb 0.00 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 3g4s s LYS 177 CO 0.00 0.71 1.43 -1.58 -0.92 0.00 0.00 175.35 175.00 3g4s s HIS 178 N -1.07 2.51 -0.37 3.18 5.65 0.09 -4.83 115.29 120.45 3g4s s HIS 178 Ca 0.22 1.25 0.03 0.00 0.25 0.00 0.00 55.06 56.81 3g4s s HIS 178 Cb -0.16 -3.93 0.19 0.00 -1.18 0.00 0.00 32.58 27.50 3g4s s HIS 178 CO 0.11 -2.90 0.91 -0.35 -0.65 0.00 0.00 174.74 171.86 3g4s n PRO 179 N -0.02 0.02 0.17 2.88 -0.04 -1.26 0.21 135.00 136.96 3g4s n PRO 179 Ca 0.04 0.35 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 3g4s n PRO 179 Cb 0.41 -1.84 0.09 0.00 -0.04 0.00 0.00 33.50 32.12 3g4s n PRO 179 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g4s h SER 180 N 0.00 0.00 0.00 3.54 4.64 -1.99 -3.47 113.55 116.27 3g4s h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4s h SER 180 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3g4s h SER 180 CO 0.00 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3g4s n GLY 181 N 1.12 1.27 3.70 -0.77 0.00 0.13 -4.64 105.19 106.02 3g4s n GLY 181 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3g4s n GLY 181 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g4s n PHE 182 N -0.04 1.76 -3.65 1.61 0.99 -1.24 -4.62 117.46 112.27 3g4s n PHE 182 Ca 0.00 0.43 -0.37 0.00 -0.00 0.00 0.00 57.45 57.51 3g4s n PHE 182 Cb 0.00 -2.26 -0.06 0.00 -1.00 0.00 0.00 39.48 36.15 3g4s n PHE 182 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3g4s s GLU 183 N -3.09 3.85 0.09 -1.08 0.41 -0.96 -0.73 118.70 117.18 3g4s s GLU 183 Ca 0.78 0.11 -0.22 0.00 -0.41 0.00 0.00 54.97 55.23 3g4s s GLU 183 Cb -0.40 -3.27 -0.07 0.00 -1.78 0.00 0.00 34.13 28.61 3g4s s GLU 183 CO 0.44 0.59 0.68 -1.21 -0.49 0.00 0.00 175.26 175.27 3g4s s GLU 184 N -0.61 4.39 -0.14 1.61 2.02 -1.26 -1.67 118.70 123.05 3g4s s GLU 184 Ca 0.18 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.11 3g4s s GLU 184 Cb -0.14 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.83 3g4s s GLU 184 CO 0.07 0.51 -0.12 0.08 0.02 0.00 0.00 175.26 175.82 3g4s s VAL 185 N -0.80 1.39 -0.27 2.63 1.01 -0.88 -4.95 120.40 118.53 3g4s s VAL 185 Ca 0.33 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 3g4s s VAL 185 Cb -0.21 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 3g4s s VAL 185 CO 0.22 0.43 0.85 -0.60 0.00 0.00 0.00 175.10 175.99 3g4s s ARG 186 N 1.54 4.11 -0.09 2.72 3.52 -1.26 -0.93 118.95 128.56 3g4s s ARG 186 Ca 0.04 0.87 0.01 0.00 -0.13 0.00 0.00 55.73 56.52 3g4s s ARG 186 Cb -0.13 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 3g4s s ARG 186 CO -0.10 -0.60 -0.10 0.54 -0.81 0.00 0.00 175.30 174.23 3g4s s VAL 187 N 2.96 3.37 -0.04 7.11 0.11 -0.89 -4.97 120.40 128.05 3g4s s VAL 187 Ca 0.35 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3g4s s VAL 187 Cb -0.15 -2.38 -0.05 0.00 -1.53 0.00 0.00 36.38 32.27 3g4s s VAL 187 CO 0.09 0.57 0.01 1.41 -3.33 0.00 0.00 175.10 173.85 3g4s n HIS 188 N 2.70 0.00 -4.28 1.54 8.25 -1.26 -2.09 115.22 120.09 3g4s n HIS 188 Ca -0.18 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.10 3g4s n HIS 188 Cb 0.53 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.35 3g4s n HIS 188 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g4s s ASN 189 N -3.60 1.48 0.25 0.41 6.03 -1.26 -4.94 114.94 113.30 3g4s s ASN 189 Ca -0.03 -1.70 -0.02 0.00 -1.03 0.00 0.00 52.86 50.09 3g4s s ASN 189 Cb 0.01 0.53 0.31 0.00 -3.03 0.00 0.00 41.25 39.07 3g4s s ASN 189 CO 0.16 -1.02 1.71 0.58 -2.03 0.00 0.00 177.10 176.50 3g4s h VAL 190 N 2.20 1.26 0.00 3.54 2.07 -1.94 -2.78 116.25 120.60 3g4s h VAL 190 Ca -0.27 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3g4s h VAL 190 Cb 1.24 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3g4s h VAL 190 CO 0.39 0.39 0.00 0.47 0.02 0.00 0.00 177.57 178.85 3g4s n ASP 191 N -4.16 0.00 0.07 0.57 8.00 -1.26 -1.95 116.55 117.82 3g4s n ASP 191 Ca 0.01 -0.66 0.12 0.00 0.71 0.00 0.00 54.79 54.97 3g4s n ASP 191 Cb 0.37 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.67 3g4s n ASP 191 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3g4s h ASP 192 N 0.00 0.00 0.32 -2.24 3.32 -1.91 -3.31 116.42 112.60 3g4s h ASP 192 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3g4s h ASP 192 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g4s h ASP 192 CO 0.00 0.08 0.00 0.18 -1.72 0.00 0.00 179.24 177.78 3g4s n LEU 193 N -2.18 0.00 -4.67 1.55 4.77 -0.82 -4.81 117.00 110.84 3g4s n LEU 193 Ca 0.04 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 3g4s n LEU 193 Cb 0.44 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3g4s n LEU 193 CO 0.35 -0.03 0.52 -1.61 -1.33 0.00 0.00 177.39 175.30 3g4s s GLU 194 N -2.37 4.27 0.00 3.23 2.02 -1.25 -3.67 118.70 120.94 3g4s s GLU 194 Ca 0.30 0.87 0.00 0.00 0.02 0.00 0.00 54.97 56.16 3g4s s GLU 194 Cb 0.18 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.84 3g4s s GLU 194 CO 0.37 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.78 3g4s n GLY 195 N 3.56 0.85 3.73 -1.39 0.00 -1.26 -5.09 105.19 105.59 3g4s n GLY 195 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3g4s n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 196 N -2.00 5.16 -0.41 1.61 1.01 -1.24 -5.06 120.40 119.47 3g4s s VAL 196 Ca 0.00 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 3g4s s VAL 196 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3g4s s VAL 196 CO 0.00 0.35 0.29 -0.62 0.00 0.00 0.00 175.10 175.12 3g4s s ASP 197 N 0.45 6.00 0.00 3.32 2.15 -1.26 -4.95 116.67 122.38 3g4s s ASP 197 Ca 0.26 -1.02 0.10 0.00 0.43 0.00 0.00 52.55 52.32 3g4s s ASP 197 Cb -0.15 -2.12 0.59 0.00 -0.30 0.00 0.00 42.92 40.93 3g4s s ASP 197 CO 0.11 -0.47 1.01 0.61 -0.17 0.00 0.00 175.17 176.26 3g4s n GLY 198 N 5.12 -0.44 0.38 2.66 0.00 -1.26 0.28 105.19 111.92 3g4s n GLY 198 Ca -0.11 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3g4s n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4s n ASP 199 N -0.85 1.76 0.00 1.61 8.00 -1.26 -4.70 116.55 121.11 3g4s n ASP 199 Ca 0.07 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3g4s n ASP 199 Cb 0.03 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3g4s n ASP 199 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3g4s n THR 200 N -0.38 0.00 -3.65 -3.53 -2.24 -0.66 -3.15 114.28 100.67 3g4s n THR 200 Ca 0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 3g4s n THR 200 Cb 0.43 -0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 68.05 3g4s n THR 200 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g4s s GLU 201 N -1.94 4.12 0.44 -0.78 2.02 0.14 -2.27 118.70 120.42 3g4s s GLU 201 Ca 0.00 -0.21 0.08 0.00 0.02 0.00 0.00 54.97 54.87 3g4s s GLU 201 Cb 0.00 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.74 3g4s s GLU 201 CO 0.00 0.12 0.58 0.00 0.02 0.00 0.00 175.26 175.98 3g4s s ALA 202 N 0.89 4.53 0.03 5.21 0.00 -0.67 -4.14 121.76 127.60 3g4s s ALA 202 Ca 0.09 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.41 3g4s s ALA 202 Cb -0.13 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 3g4s s ALA 202 CO 0.03 -0.34 -0.26 0.54 0.00 0.00 0.00 175.76 175.73 3g4s s VAL 203 N -2.39 2.16 -0.26 0.00 0.11 0.53 -2.07 120.40 118.48 3g4s s VAL 203 Ca 0.55 -1.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 3g4s s VAL 203 Cb -0.09 -1.82 0.08 0.00 -1.53 0.00 0.00 36.38 33.01 3g4s s VAL 203 CO 0.33 0.41 0.00 -0.60 -3.33 0.00 0.00 175.10 171.92 3g4s s ARG 204 N -1.12 1.31 0.23 1.54 3.52 -0.11 -0.23 118.95 124.10 3g4s s ARG 204 Ca 0.11 -1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 54.32 3g4s s ARG 204 Cb -0.10 -2.51 -0.09 0.00 -1.56 0.00 0.00 34.95 30.69 3g4s s ARG 204 CO 0.02 -0.74 1.11 0.42 -0.81 0.00 0.00 175.30 175.30 3g4s s ILE 205 N 1.41 3.64 0.97 4.11 1.01 -1.26 -2.10 121.20 128.97 3g4s s ILE 205 Ca 0.01 1.52 -0.11 0.00 0.00 0.00 0.00 60.65 62.06 3g4s s ILE 205 Cb -0.18 -3.97 0.17 0.00 0.01 0.00 0.00 42.46 38.49 3g4s s ILE 205 CO -0.11 0.31 1.11 0.00 0.00 0.00 0.00 174.94 176.25 3g4s s ALA 206 N -0.65 1.03 0.17 9.38 0.00 -0.89 -4.93 121.76 125.87 3g4s s ALA 206 Ca 0.47 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 3g4s s ALA 206 Cb -0.31 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.49 3g4s s ALA 206 CO 0.38 -2.95 1.51 0.66 0.00 0.00 0.00 175.76 175.36 3g4s h SER 207 N -2.00 0.83 0.02 0.00 4.64 -1.95 -3.26 113.55 111.83 3g4s h SER 207 Ca -0.48 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 60.45 3g4s h SER 207 Cb 1.28 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3g4s h SER 207 CO 0.45 1.14 -0.02 0.11 -0.87 0.00 0.00 176.83 177.64 3g4s h LYS 208 N 0.63 0.00 -6.73 4.77 1.57 -2.00 -3.44 116.57 111.38 3g4s h LYS 208 Ca 0.05 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 3g4s h LYS 208 Cb 0.97 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.33 3g4s h LYS 208 CO 0.09 0.02 0.73 0.08 -0.57 0.00 0.00 179.45 179.79 3g4s s VAL 209 N -4.84 2.82 0.45 0.50 1.01 -1.23 -5.03 120.40 114.09 3g4s s VAL 209 Ca -0.05 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.63 3g4s s VAL 209 Cb 0.16 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3g4s s VAL 209 CO 0.62 0.11 0.66 -0.83 0.00 0.00 0.00 175.10 175.66 3g4s s GLY 210 N 0.34 1.62 0.43 4.51 0.00 -1.26 -4.91 107.32 108.05 3g4s s GLY 210 Ca 0.58 -1.15 0.19 0.00 0.00 0.00 0.00 44.72 44.34 3g4s s GLY 210 CO 0.42 -0.97 1.87 0.00 0.00 0.00 0.00 173.10 174.41 3g4s h ALA 211 N 0.40 2.25 -0.43 3.20 0.00 -1.97 0.40 119.26 123.12 3g4s h ALA 211 Ca -0.45 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3g4s h ALA 211 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3g4s h ALA 211 CO 0.56 -0.52 0.07 -0.09 0.00 0.00 0.00 179.25 179.27 3g4s h ARG 212 N 0.37 0.72 0.00 0.00 2.43 -2.01 -1.89 114.38 113.99 3g4s h ARG 212 Ca 0.45 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3g4s h ARG 212 Cb 1.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3g4s h ARG 212 CO -0.15 0.74 -0.66 -0.22 -1.51 0.00 0.00 179.97 178.17 3g4s h LYS 213 N 0.58 0.00 -0.10 0.20 3.64 -1.81 -3.32 116.57 115.76 3g4s h LYS 213 Ca 0.13 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 3g4s h LYS 213 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3g4s h LYS 213 CO 0.01 0.21 -0.54 0.00 -2.27 0.00 0.00 179.45 176.86 3g4s h ARG 214 N 0.00 0.30 -0.59 1.90 3.08 -0.75 -2.37 114.38 115.96 3g4s h ARG 214 Ca -0.03 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 3g4s h ARG 214 Cb 1.23 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3g4s h ARG 214 CO 0.03 0.77 0.01 1.49 -1.07 0.00 0.00 179.97 181.20 3g4s h GLU 215 N 0.23 1.03 -0.27 0.04 4.81 -1.44 -1.16 114.58 117.83 3g4s h GLU 215 Ca 0.00 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.79 3g4s h GLU 215 Cb 1.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3g4s h GLU 215 CO 0.09 1.01 -0.35 0.00 -0.73 0.00 0.00 179.01 179.03 3g4s h ARG 216 N 0.92 0.59 0.11 1.92 3.08 -1.62 -2.68 114.38 116.69 3g4s h ARG 216 Ca 0.17 -0.27 -0.29 0.00 0.07 0.00 0.00 59.98 59.66 3g4s h ARG 216 Cb 0.54 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.61 3g4s h ARG 216 CO 0.03 0.85 -1.21 0.82 -1.07 0.00 0.00 179.97 179.39 3g4s h ILE 217 N 0.49 1.33 -0.24 2.04 2.04 -1.30 -3.14 117.51 118.73 3g4s h ILE 217 Ca 0.05 -2.55 -0.10 0.00 1.00 0.00 0.00 64.86 63.26 3g4s h ILE 217 Cb 0.84 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3g4s h ILE 217 CO 0.07 0.77 -0.29 -0.33 0.00 0.00 0.00 178.15 178.37 3g4s h GLU 218 N 0.24 0.49 0.06 2.37 5.08 -1.18 -1.77 114.58 119.86 3g4s h GLU 218 Ca -0.17 -0.20 -0.24 0.00 -1.00 0.00 0.00 59.36 57.76 3g4s h GLU 218 Cb 1.88 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.10 3g4s h GLU 218 CO 0.22 0.73 -1.06 1.05 -1.00 0.00 0.00 179.01 178.96 3g4s h GLU 219 N 0.42 0.23 0.00 2.33 4.11 -1.59 -2.88 114.58 117.21 3g4s h GLU 219 Ca 0.06 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3g4s h GLU 219 Cb 0.72 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3g4s h GLU 219 CO 0.06 1.10 0.00 -1.91 0.07 0.00 0.00 179.01 178.32 3g4s n GLU 220 N -3.58 0.04 -0.04 1.06 4.07 -1.17 -2.27 120.64 118.75 3g4s n GLU 220 Ca -0.06 0.07 -0.07 0.00 -0.06 0.00 0.00 57.16 57.04 3g4s n GLU 220 Cb 0.92 -1.55 -0.14 0.00 -0.06 0.00 0.00 31.44 30.61 3g4s n GLU 220 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3g4s n ALA 221 N -1.54 1.64 0.01 4.31 0.00 -0.67 -3.70 120.51 120.55 3g4s n ALA 221 Ca 0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 53.44 52.41 3g4s n ALA 221 Cb 0.33 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 3g4s n ALA 221 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3g4s h GLU 222 N 0.00 0.49 0.00 0.00 4.81 -1.28 0.92 114.58 119.52 3g4s h GLU 222 Ca -0.34 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.38 3g4s h GLU 222 Cb 1.97 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.48 3g4s h GLU 222 CO 0.05 1.14 0.00 -0.25 -0.73 0.00 0.00 179.01 179.23 3g4s n ASP 223 N -4.14 0.51 -0.40 1.04 8.00 -0.96 -2.36 116.55 118.24 3g4s n ASP 223 Ca -0.10 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.10 3g4s n ASP 223 Cb 0.70 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3g4s n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g4s n ALA 224 N -1.70 3.80 -2.57 2.24 0.00 -1.22 -5.00 120.51 116.06 3g4s n ALA 224 Ca 0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 3g4s n ALA 224 Cb 0.29 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 18.96 3g4s n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 225 N 1.44 0.71 3.14 0.00 0.00 -0.99 -4.79 105.19 104.70 3g4s n GLY 225 Ca 0.08 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3g4s n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g4s s ILE 226 N -2.93 1.62 0.13 -0.61 1.01 0.29 -4.28 121.20 116.42 3g4s s ILE 226 Ca 0.06 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 3g4s s ILE 226 Cb -0.03 -1.41 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 3g4s s ILE 226 CO 0.08 0.46 0.85 -0.60 0.00 0.00 0.00 174.94 175.73 3g4s s ARG 227 N 0.32 4.63 -0.21 2.79 3.52 -1.26 -4.18 118.95 124.57 3g4s s ARG 227 Ca -0.13 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.62 3g4s s ARG 227 Cb -0.15 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3g4s s ARG 227 CO 0.05 0.38 0.24 0.08 -0.81 0.00 0.00 175.30 175.24 3g4s s VAL 228 N -0.51 5.32 -0.31 7.11 1.01 -1.26 -0.34 120.40 131.41 3g4s s VAL 228 Ca 0.41 0.39 0.26 0.00 0.00 0.00 0.00 61.98 63.04 3g4s s VAL 228 Cb -0.23 -3.58 0.35 0.00 0.00 0.00 0.00 36.38 32.92 3g4s s VAL 228 CO 0.27 0.34 1.74 -0.07 0.00 0.00 0.00 175.10 177.39 3g4s h LEU 229 N 7.26 0.00 -6.11 3.92 3.38 -0.99 -3.36 115.31 119.41 3g4s h LEU 229 Ca -0.39 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.00 3g4s h LEU 229 Cb 1.16 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 3g4s h LEU 229 CO 0.71 0.00 -0.76 -0.46 0.09 0.00 0.00 178.44 178.02 3g4s n ASN 230 N -2.97 2.64 -4.80 -0.43 6.94 -1.26 -5.08 115.26 110.29 3g4s n ASN 230 Ca 0.03 -3.21 -0.33 0.00 -0.02 0.00 0.00 54.58 51.05 3g4s n ASN 230 Cb 0.44 -0.66 -0.00 0.00 -2.36 0.00 0.00 39.78 37.20 3g4s n ASN 230 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3g4s s PRO 231 N -2.10 3.46 0.01 -0.53 0.04 -1.26 -4.89 135.00 129.73 3g4s s PRO 231 Ca 0.39 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 3g4s s PRO 231 Cb 0.16 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 3g4s s PRO 231 CO -0.04 -0.70 0.77 0.99 0.04 0.00 0.00 177.00 178.06 3g4s s THR 232 N -2.32 4.84 -0.42 1.26 2.01 -1.26 -4.86 115.64 114.89 3g4s s THR 232 Ca 0.65 1.62 -0.19 0.00 0.31 0.00 0.00 61.69 64.07 3g4s s THR 232 Cb -0.16 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.25 3g4s s THR 232 CO 0.32 0.31 0.57 -0.31 -0.69 0.00 0.00 174.62 174.82 3g4s s TYR 233 N 0.30 3.11 0.21 4.92 1.51 -1.26 -2.21 117.35 123.94 3g4s s TYR 233 Ca 0.40 -0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.31 3g4s s TYR 233 Cb -0.20 -3.15 -0.06 0.00 -0.11 0.00 0.00 41.96 38.44 3g4s s TYR 233 CO 0.22 -0.77 0.46 0.08 -1.11 0.00 0.00 175.55 174.44 3g4s s VAL 234 N 2.57 5.08 -1.15 0.71 1.01 -0.58 -4.86 120.40 123.19 3g4s s VAL 234 Ca 0.19 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 3g4s s VAL 234 Cb -0.15 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.70 3g4s s VAL 234 CO 0.17 -0.11 1.41 -1.61 0.00 0.00 0.00 175.10 174.96 3g4s s GLU 235 N -3.02 3.93 0.00 2.72 8.01 -1.26 -0.90 118.70 128.18 3g4s s GLU 235 Ca 0.43 -2.21 0.21 0.00 0.01 0.00 0.00 54.97 53.41 3g4s s GLU 235 Cb -0.11 -5.13 0.17 0.00 -4.31 0.00 0.00 34.13 24.75 3g4s s GLU 235 CO 0.26 -1.88 1.17 0.28 0.01 0.00 0.00 175.26 175.10