#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jun n GLU 115 N 0.00 0.00 -1.68 0.00 -0.58 -1.26 -4.77 120.64 112.36 2jun n GLU 115 Ca 0.00 0.38 -0.44 0.00 -0.42 0.00 0.00 57.16 56.68 2jun n GLU 115 Cb 0.00 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 29.66 2jun n GLU 115 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jun n LYS 116 N -1.65 2.04 -2.47 3.49 5.02 -1.26 -4.93 118.16 118.40 2jun n LYS 116 Ca 0.00 0.72 -0.39 0.00 -2.02 0.00 0.00 58.31 56.62 2jun n LYS 116 Cb 0.00 -2.33 -0.04 0.00 -0.02 0.00 0.00 35.03 32.64 2jun n LYS 116 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jun s VAL 117 N -0.56 3.51 -0.00 -0.18 0.11 -1.26 -5.04 120.40 116.99 2jun s VAL 117 Ca 0.62 1.39 -0.02 0.00 -2.93 0.00 0.00 61.98 61.05 2jun s VAL 117 Cb -0.62 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.36 2jun s VAL 117 CO 0.56 0.23 0.14 -0.76 -3.33 0.00 0.00 175.10 171.94 2jun s LEU 118 N -1.88 4.19 -0.57 2.54 1.43 -1.26 -2.83 118.68 120.29 2jun s LEU 118 Ca 0.49 0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 53.60 2jun s LEU 118 Cb -0.29 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 2jun s LEU 118 CO 0.37 0.26 2.25 0.00 0.23 0.00 0.00 176.35 179.47 2jun h GLN 120 N 17.41 0.00 -0.90 0.00 4.15 -1.85 -2.63 115.11 131.28 2jun h GLN 120 Ca -0.21 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.59 2jun h GLN 120 Cb 1.20 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.55 2jun h GLN 120 CO 1.16 0.02 0.25 1.19 -1.93 0.00 0.00 178.83 179.53 2jun n PHE 121 N -3.17 3.04 -3.97 3.99 3.01 -1.26 -4.99 117.46 114.12 2jun n PHE 121 Ca -0.01 -2.72 -0.34 0.00 1.01 0.00 0.00 57.45 55.39 2jun n PHE 121 Cb 0.23 -1.04 -0.06 0.00 -0.01 0.00 0.00 39.48 38.60 2jun n PHE 121 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jun n ASP 123 N 1.25 3.07 -0.12 0.00 2.03 -1.26 -4.84 116.55 116.67 2jun n ASP 123 Ca -0.13 -3.06 -0.26 0.00 0.52 0.00 0.00 54.79 51.85 2jun n ASP 123 Cb 0.53 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 2jun n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jun n GLN 124 N -0.41 0.58 -2.50 -0.67 6.02 -1.26 -5.05 117.38 114.09 2jun n GLN 124 Ca 0.24 0.39 -0.01 0.00 -0.01 0.00 0.00 57.00 57.61 2jun n GLN 124 Cb 0.79 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.46 2jun n GLN 124 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2jun n ASP 125 N -4.33 -6.85 -4.76 1.08 9.92 -1.26 -4.82 116.55 105.54 2jun n ASP 125 Ca -0.45 1.02 -0.31 0.00 -0.53 0.00 0.00 54.79 54.52 2jun n ASP 125 Cb 0.80 -4.51 0.10 0.00 -0.64 0.00 0.00 41.12 36.87 2jun n ASP 125 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2jun s PRO 126 N -1.51 2.01 1.00 -0.24 0.04 -1.26 -5.16 135.00 129.88 2jun s PRO 126 Ca 0.04 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 2jun s PRO 126 Cb -0.01 -1.87 0.23 0.00 0.04 0.00 0.00 34.50 32.88 2jun s PRO 126 CO 0.63 -1.79 1.35 0.00 0.04 0.00 0.00 177.00 177.23 2jun n ALA 127 N -3.61 -1.59 -4.75 8.56 0.00 -1.26 -4.97 120.51 112.89 2jun n ALA 127 Ca 0.09 -1.76 -0.32 0.00 0.00 0.00 0.00 53.44 51.44 2jun n ALA 127 Cb 0.54 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 2jun n ALA 127 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jun n GLN 128 N -3.88 0.78 -4.01 0.00 7.27 -1.26 -4.98 117.38 111.30 2jun n GLN 128 Ca 0.17 -3.69 -0.29 0.00 0.07 0.00 0.00 57.00 53.26 2jun n GLN 128 Cb 0.59 0.98 -0.05 0.00 2.41 0.00 0.00 30.24 34.17 2jun n GLN 128 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2jun s ASP 129 N -3.79 5.89 -0.27 1.69 -4.77 -1.26 -0.42 116.67 113.74 2jun s ASP 129 Ca 0.00 0.06 -0.12 0.00 -3.30 0.00 0.00 52.55 49.20 2jun s ASP 129 Cb -0.00 -1.67 -0.05 0.00 -1.09 0.00 0.00 42.92 40.11 2jun s ASP 129 CO 0.00 0.12 0.22 0.00 0.70 0.00 0.00 175.17 176.21 2jun s ALA 130 N -1.58 3.54 -0.50 2.11 0.00 -1.13 -4.46 121.76 119.75 2jun s ALA 130 Ca 0.32 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.36 2jun s ALA 130 Cb -0.12 -2.50 -0.10 0.00 0.00 0.00 0.00 23.12 20.40 2jun s ALA 130 CO 0.25 -0.52 0.43 1.33 0.00 0.00 0.00 175.76 177.26 2jun n VAL 131 N 4.97 0.00 -4.44 0.00 0.24 -1.23 -4.59 118.33 113.27 2jun n VAL 131 Ca -0.13 -0.27 -0.25 0.00 -2.04 0.00 0.00 64.34 61.65 2jun n VAL 131 Cb 0.52 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.79 2jun n VAL 131 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jun s LYS 132 N -1.91 1.69 -0.08 7.34 1.02 -1.09 -4.38 119.74 122.32 2jun s LYS 132 Ca 0.04 -1.67 -0.04 0.00 0.02 0.00 0.00 55.97 54.33 2jun s LYS 132 Cb 0.08 -1.83 0.04 0.00 -0.52 0.00 0.00 37.83 35.60 2jun s LYS 132 CO 0.40 0.35 0.19 0.99 -0.92 0.00 0.00 175.35 176.36 2jun s THR 133 N -2.25 -0.05 -0.16 2.17 2.01 -1.26 -1.88 115.64 114.22 2jun s THR 133 Ca 0.27 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 2jun s THR 133 Cb -0.06 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2jun s THR 133 CO 0.14 0.07 0.09 0.00 -0.69 0.00 0.00 174.62 174.23 2jun h VAL 135 N 4.57 1.37 -0.05 0.00 2.07 -1.22 -0.72 116.25 122.27 2jun h VAL 135 Ca -0.43 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 65.59 2jun h VAL 135 Cb 1.18 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2jun h VAL 135 CO 0.68 0.37 0.14 0.74 0.02 0.00 0.00 177.57 179.52 2jun h THR 136 N -0.74 0.18 0.00 2.57 2.02 -1.91 0.26 112.91 115.28 2jun h THR 136 Ca -0.01 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 2jun h THR 136 Cb 0.65 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 2jun h THR 136 CO 0.01 0.00 -1.73 0.00 0.37 0.00 0.00 175.52 174.17 2jun n GLU 138 N -2.84 -2.07 -3.74 0.00 2.13 0.90 -4.99 120.64 110.02 2jun n GLU 138 Ca -0.16 0.75 -0.14 0.00 0.66 0.00 0.00 57.16 58.28 2jun n GLU 138 Cb 0.93 -5.15 -0.08 0.00 0.27 0.00 0.00 31.44 27.40 2jun n GLU 138 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jun s VAL 139 N -2.87 0.05 -0.32 6.31 1.01 -1.12 -5.05 120.40 118.41 2jun s VAL 139 Ca 0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 2jun s VAL 139 Cb -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2jun s VAL 139 CO 0.09 -0.24 0.22 -0.55 0.00 0.00 0.00 175.10 174.61 2jun s SER 140 N -1.33 5.99 0.49 3.32 0.15 -1.26 -2.50 113.70 118.56 2jun s SER 140 Ca -0.13 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.22 2jun s SER 140 Cb -0.05 -2.12 -0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2jun s SER 140 CO 0.05 -0.17 0.04 -1.22 1.20 0.00 0.00 173.24 173.14 2jun n TYR 141 N 5.08 0.90 -3.00 3.44 4.01 -0.79 -4.75 117.16 122.06 2jun n TYR 141 Ca -0.13 -2.61 -0.19 0.00 -0.16 0.00 0.00 57.90 54.81 2jun n TYR 141 Cb 0.50 -0.25 0.04 0.00 -0.31 0.00 0.00 39.34 39.33 2jun n TYR 141 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jun h ASP 143 N 0.35 0.64 0.08 0.00 1.82 -1.94 0.14 116.42 117.52 2jun h ASP 143 Ca -0.35 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2jun h ASP 143 Cb 1.28 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2jun h ASP 143 CO 0.43 0.46 -0.17 -0.08 -1.61 0.00 0.00 179.24 178.26 2jun h GLU 144 N 0.77 -0.26 -0.60 0.28 4.22 -1.95 0.16 114.58 117.19 2jun h GLU 144 Ca 0.24 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.78 2jun h GLU 144 Cb -0.02 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2jun h GLU 144 CO -0.09 -0.18 0.25 0.00 -2.18 0.00 0.00 179.01 176.81 2jun h LEU 146 N 0.45 0.00 -0.07 0.00 5.85 -0.20 0.33 115.31 121.66 2jun h LEU 146 Ca 0.30 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.77 2jun h LEU 146 Cb 0.34 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.38 2jun h LEU 146 CO -0.28 0.00 -0.97 0.50 -0.34 0.00 0.00 178.44 177.35 2jun h LYS 147 N 0.00 0.66 0.02 1.25 3.64 0.24 0.13 116.57 122.51 2jun h LYS 147 Ca 0.28 -0.67 -0.21 0.00 -1.27 0.00 0.00 60.65 58.78 2jun h LYS 147 Cb 1.40 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 2jun h LYS 147 CO -0.00 1.27 -0.94 0.00 -2.27 0.00 0.00 179.45 177.50 2jun h ALA 148 N 0.51 0.42 0.05 5.00 0.00 -0.31 -3.34 119.26 121.58 2jun h ALA 148 Ca -0.10 -0.75 -0.07 0.00 0.00 0.00 0.00 54.91 53.98 2jun h ALA 148 Cb 1.61 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2jun h ALA 148 CO 0.19 0.92 -0.32 1.79 0.00 0.00 0.00 179.25 181.83 2jun h THR 149 N 0.12 1.67 -3.32 0.00 1.35 -0.77 -3.42 112.91 108.54 2jun h THR 149 Ca -0.06 -2.41 -0.74 0.00 -0.55 0.00 0.00 66.41 62.66 2jun h THR 149 Cb 1.59 3.29 -0.23 0.00 -1.73 0.00 0.00 68.15 71.08 2jun h THR 149 CO 0.15 0.64 -0.34 -1.00 -0.25 0.00 0.00 175.52 174.72 2jun s HIS 150 N -2.29 3.25 0.09 4.73 3.76 0.45 -5.07 115.29 120.20 2jun s HIS 150 Ca -0.18 -0.93 -0.02 0.00 -0.15 0.00 0.00 55.06 53.79 2jun s HIS 150 Cb -0.01 -3.13 0.02 0.00 1.11 0.00 0.00 32.58 30.57 2jun s HIS 150 CO 0.73 -0.79 0.08 -0.35 -0.85 0.00 0.00 174.74 173.57 2jun n PRO 151 N 5.19 -1.18 -3.10 8.40 -0.04 -1.26 -4.47 135.00 138.54 2jun n PRO 151 Ca -0.12 -0.13 -0.45 0.00 -0.04 0.00 0.00 63.50 62.76 2jun n PRO 151 Cb 0.44 -0.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 2jun n PRO 151 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jun s ASN 152 N -1.73 6.76 -0.00 3.54 -0.87 -1.26 -4.61 114.94 116.76 2jun s ASN 152 Ca 0.05 -2.46 0.00 0.00 -1.57 0.00 0.00 52.86 48.89 2jun s ASN 152 Cb -0.01 -2.32 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 2jun s ASN 152 CO 0.04 -0.81 0.53 0.29 -2.57 0.00 0.00 177.10 174.58 2jun n LYS 153 N 5.28 0.09 -1.11 -0.60 5.02 -1.26 -5.06 118.16 120.51 2jun n LYS 153 Ca 0.21 -0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 55.66 2jun n LYS 153 Cb 0.47 -0.51 0.14 0.00 -0.02 0.00 0.00 35.03 35.11 2jun n LYS 153 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jun s LYS 154 N -0.03 1.30 0.14 1.97 1.02 -1.26 -1.54 119.74 121.34 2jun s LYS 154 Ca 0.00 0.99 0.19 0.00 0.02 0.00 0.00 55.97 57.17 2jun s LYS 154 Cb 0.00 -1.80 0.80 0.00 -0.52 0.00 0.00 37.83 36.31 2jun s LYS 154 CO 0.00 -2.26 1.59 -0.35 -0.92 0.00 0.00 175.35 173.41 2jun n PRO 155 N -3.92 0.10 -1.68 -1.68 -0.04 -1.26 -4.73 135.00 121.79 2jun n PRO 155 Ca 0.08 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.57 2jun n PRO 155 Cb 0.54 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 2jun n PRO 155 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jun n PHE 156 N -1.89 2.06 0.27 0.54 3.72 -0.94 -4.65 117.46 116.57 2jun n PHE 156 Ca 0.03 -2.13 0.17 0.00 -0.05 0.00 0.00 57.45 55.46 2jun n PHE 156 Cb 0.20 -1.37 0.90 0.00 -0.94 0.00 0.00 39.48 38.27 2jun n PHE 156 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2jun h THR 157 N 2.06 0.00 0.00 4.37 1.35 -1.57 -3.45 112.91 115.67 2jun h THR 157 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 2jun h THR 157 Cb 0.50 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2jun h THR 157 CO 1.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 2jun n GLY 158 N -1.18 0.72 3.26 5.82 0.00 -1.26 -4.83 105.19 107.72 2jun n GLY 158 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2jun n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jun s HIS 159 N -2.40 2.17 -0.17 1.61 3.76 -1.26 -5.10 115.29 113.91 2jun s HIS 159 Ca 0.00 -0.48 -0.09 0.00 -0.15 0.00 0.00 55.06 54.34 2jun s HIS 159 Cb 0.00 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 2jun s HIS 159 CO 0.00 -0.09 0.12 1.03 -0.85 0.00 0.00 174.74 174.96 2jun s ARG 160 N -0.43 3.89 0.00 1.40 0.52 -1.26 -5.02 118.95 118.05 2jun s ARG 160 Ca 0.05 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2jun s ARG 160 Cb -0.10 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.06 2jun s ARG 160 CO 0.00 0.47 0.00 1.28 0.02 0.00 0.00 175.30 177.07 2jun n LEU 161 N 2.97 0.00 -4.85 2.53 4.32 -1.26 -0.69 117.00 120.02 2jun n LEU 161 Ca -0.17 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.50 2jun n LEU 161 Cb 0.53 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2jun n LEU 161 CO 0.35 0.00 0.70 -0.63 -1.22 0.00 0.00 177.39 176.59 2jun s ILE 162 N -2.01 4.47 0.95 -0.08 -1.09 -1.23 -4.84 121.20 117.37 2jun s ILE 162 Ca 0.00 0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 59.28 2jun s ILE 162 Cb 0.00 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2jun s ILE 162 CO 0.00 -0.88 0.53 -0.62 -1.23 0.00 0.00 174.94 172.75 2jun n GLU 163 N -2.27 -0.33 -2.15 2.79 -0.58 -1.26 -4.87 120.64 111.96 2jun n GLU 163 Ca 0.07 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 2jun n GLU 163 Cb 0.54 -1.95 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 2jun n GLU 163 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jun s PRO 164 N -3.81 4.21 0.80 3.49 0.04 -1.26 -4.96 135.00 133.51 2jun s PRO 164 Ca 0.59 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.49 2jun s PRO 164 Cb -0.21 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 2jun s PRO 164 CO 0.66 -0.77 0.50 0.44 0.04 0.00 0.00 177.00 177.87 2jun n ILE 165 N 5.32 1.24 -2.25 0.56 -5.35 -1.26 -4.91 119.36 112.70 2jun n ILE 165 Ca 0.16 -0.33 -0.40 0.00 -0.27 0.00 0.00 62.75 61.91 2jun n ILE 165 Cb 0.43 -0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 37.60 2jun n ILE 165 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2jun s PRO 166 N -3.06 4.34 0.36 6.28 0.04 -1.26 -5.05 135.00 136.65 2jun s PRO 166 Ca 0.63 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.76 2jun s PRO 166 Cb -0.30 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 2jun s PRO 166 CO 0.61 -0.12 0.02 0.34 0.04 0.00 0.00 177.00 177.89 2jun s ASP 167 N -0.76 4.12 0.73 6.66 -1.08 -1.26 -5.01 116.67 120.06 2jun s ASP 167 Ca 0.50 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 2jun s ASP 167 Cb -0.35 -0.48 0.00 0.00 -1.46 0.00 0.00 42.92 40.62 2jun s ASP 167 CO 0.46 -0.31 0.00 -1.20 0.52 0.00 0.00 175.17 174.64 2jun n SER 168 N -0.98 -5.73 0.00 -0.34 7.64 -1.26 -4.03 113.62 108.92 2jun n SER 168 Ca -0.04 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 60.07 2jun n SER 168 Cb 0.63 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2jun n SER 168 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2jun h HIS 169 N -0.28 -0.57 -2.27 1.43 2.76 -2.07 -3.44 115.15 110.72 2jun h HIS 169 Ca 0.01 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2jun h HIS 169 Cb 0.28 0.27 -0.22 0.00 1.55 0.00 0.00 27.41 29.28 2jun h HIS 169 CO 0.00 -0.30 -0.02 -1.50 -1.30 0.00 0.00 177.93 174.81 2jun s ILE 170 N -6.10 -0.00 0.24 6.26 2.07 -1.26 -5.07 121.20 117.34 2jun s ILE 170 Ca -0.15 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2jun s ILE 170 Cb 0.11 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.85 2jun s ILE 170 CO 0.67 0.00 0.00 -1.14 -1.91 0.00 0.00 174.94 172.56 2jun n ARG 171 N 3.02 0.00 -0.34 3.50 3.00 -1.26 -4.97 116.66 119.61 2jun n ARG 171 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2jun n ARG 171 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 2jun n ARG 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jun n GLY 172 N 1.40 -3.62 3.32 5.14 0.00 -1.26 -5.09 105.19 105.08 2jun n GLY 172 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 2jun n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jun s LEU 173 N -0.97 1.67 0.42 0.99 1.43 -1.26 -5.08 118.68 115.88 2jun s LEU 173 Ca 0.00 -1.38 0.07 0.00 -1.03 0.00 0.00 54.13 51.79 2jun s LEU 173 Cb 0.00 0.00 -0.03 0.00 0.03 0.00 0.00 46.19 46.19 2jun s LEU 173 CO 0.00 -0.72 0.29 -0.32 0.23 0.00 0.00 176.35 175.83 2jun s MET 174 N -4.03 2.39 1.08 1.70 1.75 -1.26 -4.17 119.30 116.77 2jun s MET 174 Ca 0.38 -1.68 -0.18 0.00 -1.25 0.00 0.00 55.69 52.96 2jun s MET 174 Cb 0.08 -2.20 0.26 0.00 2.84 0.00 0.00 34.83 35.81 2jun s MET 174 CO 0.14 -0.16 1.25 0.00 -0.65 0.00 0.00 175.02 175.59 2jun h LEU 176 N 0.00 -0.98 -4.83 0.00 4.07 -1.97 -3.37 115.31 108.23 2jun h LEU 176 Ca -0.42 0.03 -0.44 0.00 0.08 0.00 0.00 57.88 57.13 2jun h LEU 176 Cb 1.22 0.25 -0.41 0.00 1.08 0.00 0.00 40.66 42.80 2jun h LEU 176 CO 0.29 -0.70 -1.03 -0.62 -1.08 0.00 0.00 178.44 175.30 2jun n GLU 177 N -5.10 1.97 -3.45 1.13 1.02 -1.26 -4.96 120.64 110.00 2jun n GLU 177 Ca -0.14 -3.70 -0.27 0.00 -0.02 0.00 0.00 57.16 53.02 2jun n GLU 177 Cb 0.45 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 2jun n GLU 177 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jun n HIS 178 N -0.21 -0.43 0.08 -0.32 8.25 -1.26 -4.94 115.22 116.38 2jun n HIS 178 Ca 0.20 -3.43 -0.09 0.00 -0.26 0.00 0.00 57.72 54.14 2jun n HIS 178 Cb 0.76 0.15 -0.11 0.00 1.12 0.00 0.00 29.99 31.91 2jun n HIS 178 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jun h GLU 179 N 5.57 0.08 0.00 -0.41 4.11 -1.92 -3.20 114.58 118.81 2jun h GLU 179 Ca 0.25 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2jun h GLU 179 Cb 0.89 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2jun h GLU 179 CO 0.41 1.05 -0.03 0.22 0.07 0.00 0.00 179.01 180.73 2jun h ASP 180 N 0.03 0.00 -3.27 3.06 3.58 -2.02 -3.40 116.42 114.39 2jun h ASP 180 Ca -0.04 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.91 2jun h ASP 180 Cb 1.79 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 42.46 2jun h ASP 180 CO 0.15 0.03 -0.78 -0.70 -2.88 0.00 0.00 179.24 175.06 2jun s GLU 181 N -3.66 0.90 0.74 0.28 -6.30 -1.21 -5.14 118.70 104.31 2jun s GLU 181 Ca 0.01 -0.22 -0.07 0.00 -2.50 0.00 0.00 54.97 52.19 2jun s GLU 181 Cb 0.09 -1.60 0.10 0.00 0.00 0.00 0.00 34.13 32.71 2jun s GLU 181 CO 0.56 -0.43 1.05 0.15 0.02 0.00 0.00 175.26 176.61 2jun s LYS 182 N 1.84 1.85 -0.40 4.30 1.02 -1.26 -4.56 119.74 122.54 2jun s LYS 182 Ca 0.02 -0.48 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 2jun s LYS 182 Cb -0.14 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 2jun s LYS 182 CO -0.07 -1.45 1.12 0.14 -0.92 0.00 0.00 175.35 174.17 2jun s VAL 183 N -3.31 4.34 -0.01 3.17 -7.23 -1.26 -4.42 120.40 111.69 2jun s VAL 183 Ca 0.63 1.47 0.01 0.00 -1.81 0.00 0.00 61.98 62.28 2jun s VAL 183 Cb -0.08 -4.50 0.01 0.00 0.56 0.00 0.00 36.38 32.37 2jun s VAL 183 CO 0.46 -0.74 1.01 -3.20 -0.31 0.00 0.00 175.10 172.32 2jun n ASN 184 N 7.39 0.11 -4.22 4.85 5.15 -1.16 -4.93 115.26 122.44 2jun n ASN 184 Ca 0.12 -2.05 -0.22 0.00 -0.60 0.00 0.00 54.58 51.83 2jun n ASN 184 Cb 0.48 -0.21 -0.09 0.00 -0.53 0.00 0.00 39.78 39.43 2jun n ASN 184 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2jun s MET 185 N -0.13 1.74 -0.07 1.20 -1.94 0.04 -4.69 119.30 115.45 2jun s MET 185 Ca 0.02 -2.01 -0.05 0.00 -1.71 0.00 0.00 55.69 51.93 2jun s MET 185 Cb 0.01 -0.57 0.02 0.00 2.01 0.00 0.00 34.83 36.31 2jun s MET 185 CO 0.00 -0.37 0.17 -0.47 -0.01 0.00 0.00 175.02 174.34 2jun s TYR 186 N -3.36 -0.19 -0.17 -0.03 6.14 -1.26 -1.68 117.35 116.79 2jun s TYR 186 Ca 0.31 0.48 -0.07 0.00 0.64 0.00 0.00 57.07 58.43 2jun s TYR 186 Cb 0.05 0.04 -0.04 0.00 0.42 0.00 0.00 41.96 42.43 2jun s TYR 186 CO 0.15 -0.11 0.04 0.00 0.64 0.00 0.00 175.55 176.27 2jun h VAL 188 N 4.87 1.40 -0.12 0.00 2.07 -1.82 0.26 116.25 122.92 2jun h VAL 188 Ca -0.37 -2.05 0.04 0.00 0.82 0.00 0.00 66.70 65.14 2jun h VAL 188 Cb 1.17 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 2jun h VAL 188 CO 0.68 0.48 0.18 0.74 0.02 0.00 0.00 177.57 179.67 2jun h THR 189 N -1.00 0.33 0.00 2.57 2.02 -1.95 -0.90 112.91 113.98 2jun h THR 189 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2jun h THR 189 Cb 0.78 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2jun h THR 189 CO -0.00 0.00 -1.97 0.47 0.37 0.00 0.00 175.52 174.39 2jun n ASP 190 N -3.56 0.73 -1.91 4.18 8.00 -1.24 -4.60 116.55 118.14 2jun n ASP 190 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 2jun n ASP 190 Cb 0.29 1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 42.90 2jun n ASP 190 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jun n ASP 191 N -2.32 -5.05 -4.11 -2.24 -0.08 0.88 -4.21 116.55 99.41 2jun n ASP 191 Ca -0.12 0.02 -0.24 0.00 -1.51 0.00 0.00 54.79 52.93 2jun n ASP 191 Cb 0.69 -4.14 -0.08 0.00 2.34 0.00 0.00 41.12 39.92 2jun n ASP 191 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2jun s GLN 192 N -4.75 1.86 -0.15 -0.67 -0.21 -0.97 -4.63 119.66 110.13 2jun s GLN 192 Ca 0.00 -2.11 -0.08 0.00 0.02 0.00 0.00 55.36 53.19 2jun s GLN 192 Cb 0.00 -0.55 -0.04 0.00 1.00 0.00 0.00 33.01 33.42 2jun s GLN 192 CO 0.00 -0.45 0.13 -0.51 -2.12 0.00 0.00 175.29 172.34 2jun s LEU 193 N -3.56 4.26 0.35 2.90 1.43 -1.26 -0.68 118.68 122.12 2jun s LEU 193 Ca 0.27 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2jun s LEU 193 Cb 0.03 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2jun s LEU 193 CO 0.15 0.31 0.23 0.27 0.23 0.00 0.00 176.35 177.54 2jun s ILE 194 N -0.41 0.17 0.06 -0.59 -4.36 -0.68 -4.77 121.20 110.61 2jun s ILE 194 Ca 0.12 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 2jun s ILE 194 Cb -0.12 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2jun s ILE 194 CO 0.01 0.00 -0.02 0.00 0.24 0.00 0.00 174.94 175.17 2jun h ALA 196 N 3.79 2.44 0.00 0.00 0.00 -1.90 0.25 119.26 123.84 2jun h ALA 196 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jun h ALA 196 Cb 1.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jun h ALA 196 CO 0.58 -0.59 -0.05 1.25 0.00 0.00 0.00 179.25 180.44 2jun h LEU 197 N 0.03 0.00 0.25 0.00 5.85 -1.92 0.18 115.31 119.70 2jun h LEU 197 Ca 0.24 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.62 2jun h LEU 197 Cb 0.93 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.99 2jun h LEU 197 CO -0.01 0.05 -1.51 0.00 -0.34 0.00 0.00 178.44 176.63 2jun h LYS 199 N 0.13 0.00 0.03 0.00 3.64 -1.24 -1.83 116.57 117.30 2jun h LYS 199 Ca -0.27 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2jun h LYS 199 Cb 2.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 2jun h LYS 199 CO 0.26 0.27 -0.01 1.25 -2.27 0.00 0.00 179.45 178.95 2jun h LEU 200 N 0.00 -0.03 -1.19 5.20 5.85 -1.03 -3.31 115.31 120.81 2jun h LEU 200 Ca -0.00 -0.69 0.17 0.00 0.84 0.00 0.00 57.88 58.19 2jun h LEU 200 Cb 0.78 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 2jun h LEU 200 CO 0.03 0.77 0.60 0.58 -0.34 0.00 0.00 178.44 180.09 2jun h VAL 201 N -0.92 0.78 0.00 1.05 2.07 -1.51 -3.46 116.25 114.27 2jun h VAL 201 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2jun h VAL 201 Cb 0.72 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2jun h VAL 201 CO 0.01 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.34 2jun n GLY 202 N -1.40 1.12 0.42 2.17 0.00 -1.12 -4.99 105.19 101.39 2jun n GLY 202 Ca 0.20 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.44 2jun n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jun h ARG 203 N 0.00 0.23 -0.31 1.61 3.08 -1.60 -2.24 114.38 115.14 2jun h ARG 203 Ca 0.00 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 2jun h ARG 203 Cb 0.00 -0.05 -0.35 0.00 0.08 0.00 0.00 29.97 29.64 2jun h ARG 203 CO 0.00 0.15 -0.97 0.72 -1.07 0.00 0.00 179.97 178.80 2jun n HIS 204 N -4.42 1.00 0.03 3.04 8.25 -1.09 -4.88 115.22 117.15 2jun n HIS 204 Ca 0.18 -1.60 -0.12 0.00 -0.26 0.00 0.00 57.72 55.92 2jun n HIS 204 Cb 0.78 -0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.57 2jun n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jun h ARG 205 N 1.88 -0.13 0.00 -0.41 3.08 -1.48 -3.10 114.38 114.22 2jun h ARG 205 Ca -0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jun h ARG 205 Cb 1.47 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2jun h ARG 205 CO 0.24 0.35 0.00 -3.47 -1.07 0.00 0.00 179.97 176.02 2jun n ASP 206 N -4.90 0.00 -4.67 7.04 -0.08 -1.26 -4.81 116.55 107.86 2jun n ASP 206 Ca -0.08 0.02 -0.29 0.00 -1.51 0.00 0.00 54.79 52.92 2jun n ASP 206 Cb 0.27 -0.31 0.13 0.00 2.34 0.00 0.00 41.12 43.55 2jun n ASP 206 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2jun s HIS 207 N -2.63 2.45 -0.32 -0.67 3.76 -1.17 -5.05 115.29 111.66 2jun s HIS 207 Ca 0.21 0.69 0.03 0.00 -0.15 0.00 0.00 55.06 55.85 2jun s HIS 207 Cb 0.16 -3.57 0.09 0.00 1.11 0.00 0.00 32.58 30.36 2jun s HIS 207 CO 0.37 -2.22 0.02 -1.14 -0.85 0.00 0.00 174.74 170.92 2jun s GLN 208 N -5.53 1.70 0.53 1.40 0.74 -1.26 -5.06 119.66 112.17 2jun s GLN 208 Ca 0.65 -1.75 0.03 0.00 0.05 0.00 0.00 55.36 54.34 2jun s GLN 208 Cb -0.11 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.86 2jun s GLN 208 CO 0.51 -0.86 0.19 0.14 -0.55 0.00 0.00 175.29 174.72 2jun s VAL 209 N 0.96 1.35 0.26 1.34 -7.23 -1.26 -2.89 120.40 112.93 2jun s VAL 209 Ca 0.06 -1.77 0.11 0.00 -1.81 0.00 0.00 61.98 58.57 2jun s VAL 209 Cb -0.19 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2jun s VAL 209 CO -0.07 0.00 -0.18 0.00 -0.31 0.00 0.00 175.10 174.54 2jun s ALA 210 N -2.84 2.57 -0.06 1.32 0.00 -1.23 -5.03 121.76 116.49 2jun s ALA 210 Ca 0.18 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.33 2jun s ALA 210 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2jun s ALA 210 CO 0.11 0.21 -0.12 0.00 0.00 0.00 0.00 175.76 175.96 2jun s ALA 211 N -2.64 2.76 -0.20 0.00 0.00 -1.26 -4.45 121.76 115.97 2jun s ALA 211 Ca 0.28 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 2jun s ALA 211 Cb -0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 23.12 21.94 2jun s ALA 211 CO 0.13 0.54 -0.30 1.28 0.00 0.00 0.00 175.76 177.41 2jun n LEU 212 N 2.36 1.92 0.00 0.00 4.77 -1.26 -5.02 117.00 119.77 2jun n LEU 212 Ca -0.17 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 2jun n LEU 212 Cb 0.52 -0.79 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2jun n LEU 212 CO 0.26 -0.06 0.16 -0.24 -1.33 0.00 0.00 177.39 176.18 2jun n SER 213 N -4.43 0.06 0.00 -1.43 2.88 -1.26 -5.26 113.62 104.17 2jun n SER 213 Ca -0.24 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 2jun n SER 213 Cb 0.59 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2jun n SER 213 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97