#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s GLU 96 N 0.00 1.16 0.34 -2.82 -1.05 -1.00 -4.87 118.70 110.47 1q81 s GLU 96 Ca 0.00 -1.46 -0.27 0.00 -0.15 0.00 0.00 54.97 53.09 1q81 s GLU 96 Cb 0.00 -0.90 -0.09 0.00 -0.44 0.00 0.00 34.13 32.70 1q81 s GLU 96 CO 0.00 0.14 1.06 -0.51 0.95 0.00 0.00 175.26 176.91 1q81 s LEU 97 N -3.06 4.35 -0.10 1.83 1.43 -1.26 0.74 118.68 122.60 1q81 s LEU 97 Ca 0.17 2.13 -0.04 0.00 -1.03 0.00 0.00 54.13 55.36 1q81 s LEU 97 Cb -0.01 -3.91 0.05 0.00 0.03 0.00 0.00 46.19 42.35 1q81 s LEU 97 CO 0.04 -0.30 0.22 -1.10 0.23 0.00 0.00 176.35 175.43 1q81 s GLN 98 N -1.97 0.13 0.39 1.70 -1.52 0.24 -4.85 119.66 113.78 1q81 s GLN 98 Ca 0.51 0.59 -0.24 0.00 -1.95 0.00 0.00 55.36 54.27 1q81 s GLN 98 Cb -0.27 -0.13 -0.10 0.00 -0.22 0.00 0.00 33.01 32.30 1q81 s GLN 98 CO 0.34 -0.24 0.99 0.00 -0.25 0.00 0.00 175.29 176.13 1q81 s ALA 99 N 1.86 3.10 0.79 6.09 0.00 -1.26 -0.76 121.76 131.58 1q81 s ALA 99 Ca -0.03 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1q81 s ALA 99 Cb -0.11 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1q81 s ALA 99 CO -0.08 -0.02 1.13 1.03 0.00 0.00 0.00 175.76 177.82 1q81 s ARG 100 N -2.58 2.15 0.65 0.00 0.52 -0.53 -4.92 118.95 114.25 1q81 s ARG 100 Ca 0.57 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 1q81 s ARG 100 Cb -0.18 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1q81 s ARG 100 CO 0.22 -1.52 0.00 0.41 0.02 0.00 0.00 175.30 174.44 1q81 n GLY 101 N -2.75 -1.84 2.67 -3.53 0.00 -1.26 -4.44 105.19 94.04 1q81 n GLY 101 Ca 0.07 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1q81 n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q81 n LEU 102 N 0.00 7.01 -0.22 0.99 4.77 -1.26 -4.73 117.00 123.56 1q81 n LEU 102 Ca 0.00 -4.07 -0.00 0.00 -0.03 0.00 0.00 56.01 51.91 1q81 n LEU 102 Cb 0.27 -1.59 0.22 0.00 -2.33 0.00 0.00 43.42 39.99 1q81 n LEU 102 CO 0.00 1.19 1.20 0.74 -1.33 0.00 0.00 177.39 179.20 1q81 h THR 103 N 3.82 1.21 0.00 -5.08 2.02 -1.90 -2.49 112.91 110.48 1q81 h THR 103 Ca 0.62 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1q81 h THR 103 Cb 0.56 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1q81 h THR 103 CO 1.87 0.21 0.00 -0.62 0.37 0.00 0.00 175.52 177.35 1q81 n GLU 104 N -4.39 0.22 -1.78 6.66 -0.58 -1.26 -4.91 120.64 114.60 1q81 n GLU 104 Ca 0.08 0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.47 1q81 n GLU 104 Cb 0.06 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1q81 n GLU 104 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1q81 s LYS 105 N -2.74 4.10 0.04 3.49 2.20 -0.94 -5.02 119.74 120.87 1q81 s LYS 105 Ca 0.19 2.60 0.09 0.00 -0.36 0.00 0.00 55.97 58.48 1q81 s LYS 105 Cb 0.17 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1q81 s LYS 105 CO 0.41 -0.58 -0.24 0.99 -0.36 0.00 0.00 175.35 175.56 1q81 s THR 106 N -0.78 1.97 0.62 3.43 2.01 -1.26 -5.04 115.64 116.58 1q81 s THR 106 Ca 0.56 -1.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1q81 s THR 106 Cb -0.47 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1q81 s THR 106 CO 0.59 0.32 0.99 -2.16 -0.69 0.00 0.00 174.62 173.68 1q81 s PRO 107 N -1.18 3.32 -0.27 4.92 0.04 -1.26 -5.00 135.00 135.57 1q81 s PRO 107 Ca 0.10 0.50 -0.09 0.00 0.04 0.00 0.00 61.00 61.55 1q81 s PRO 107 Cb -0.10 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1q81 s PRO 107 CO 0.02 -0.64 0.14 0.16 0.04 0.00 0.00 177.00 176.71 1q81 s ASP 108 N -4.23 5.58 0.15 6.66 -4.77 -1.24 -5.01 116.67 113.82 1q81 s ASP 108 Ca 0.54 -0.19 0.10 0.00 -3.30 0.00 0.00 52.55 49.71 1q81 s ASP 108 Cb -0.11 -2.02 -0.04 0.00 -1.09 0.00 0.00 42.92 39.66 1q81 s ASP 108 CO 0.51 -0.07 -0.22 -0.76 0.70 0.00 0.00 175.17 175.32 1q81 s LEU 109 N 1.68 2.51 0.92 2.11 1.43 -1.26 -4.93 118.68 121.13 1q81 s LEU 109 Ca 0.06 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1q81 s LEU 109 Cb -0.16 -1.32 0.14 0.00 0.03 0.00 0.00 46.19 44.88 1q81 s LEU 109 CO 0.07 0.15 1.09 -0.94 0.23 0.00 0.00 176.35 176.96 1q81 s SER 110 N -2.35 3.19 0.35 2.29 1.04 -1.26 -4.77 113.70 112.20 1q81 s SER 110 Ca 0.18 1.64 0.06 0.00 0.48 0.00 0.00 55.95 58.31 1q81 s SER 110 Cb -0.09 -2.29 0.72 0.00 0.10 0.00 0.00 66.02 64.45 1q81 s SER 110 CO 0.09 -2.84 1.94 0.44 0.98 0.00 0.00 173.24 173.85 1q81 h ASP 111 N -1.69 0.70 -0.13 7.02 3.32 -1.99 -2.35 116.42 121.30 1q81 h ASP 111 Ca -0.49 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1q81 h ASP 111 Cb 1.28 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1q81 h ASP 111 CO 0.52 0.44 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.38 1q81 h GLU 112 N 0.79 0.23 -0.06 3.56 4.57 -1.99 -2.33 114.58 119.35 1q81 h GLU 112 Ca 0.35 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1q81 h GLU 112 Cb 0.33 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1q81 h GLU 112 CO -0.13 0.50 -0.00 -0.44 -1.18 0.00 0.00 179.01 177.76 1q81 h ASP 113 N -0.06 -0.03 -0.77 1.04 5.19 -1.86 0.52 116.42 120.45 1q81 h ASP 113 Ca 0.03 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.54 1q81 h ASP 113 Cb 0.41 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.89 1q81 h ASP 113 CO 0.01 -0.01 0.50 0.00 -3.12 0.00 0.00 179.24 176.63 1q81 h ALA 114 N 1.06 1.73 -0.05 3.45 0.00 -1.44 0.90 119.26 124.91 1q81 h ALA 114 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1q81 h ALA 114 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1q81 h ALA 114 CO -0.05 0.12 -0.32 -0.09 0.00 0.00 0.00 179.25 178.91 1q81 h ARG 115 N 0.75 0.31 -0.38 0.00 2.43 -1.10 -1.78 114.38 114.61 1q81 h ARG 115 Ca 0.35 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1q81 h ARG 115 Cb 0.37 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1q81 h ARG 115 CO -0.13 0.92 0.10 -0.07 -1.51 0.00 0.00 179.97 179.28 1q81 h LEU 116 N -0.21 0.51 -0.19 3.80 3.38 -0.06 -0.37 115.31 122.16 1q81 h LEU 116 Ca -0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1q81 h LEU 116 Cb 0.99 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1q81 h LEU 116 CO 0.07 0.50 -0.02 0.25 0.09 0.00 0.00 178.44 179.33 1q81 h LEU 117 N 0.55 0.35 -1.88 1.67 5.85 0.84 -2.43 115.31 120.26 1q81 h LEU 117 Ca 0.13 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1q81 h LEU 117 Cb 0.20 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1q81 h LEU 117 CO -0.01 0.60 -0.06 0.74 -0.34 0.00 0.00 178.44 179.38 1q81 h THR 118 N 0.10 1.04 0.01 1.05 2.02 -0.73 -1.53 112.91 114.88 1q81 h THR 118 Ca 0.05 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1q81 h THR 118 Cb 0.43 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1q81 h THR 118 CO 0.01 0.06 -0.01 -0.61 0.37 0.00 0.00 175.52 175.34 1q81 h GLN 119 N 0.00 -0.02 -0.58 6.66 4.15 -0.82 -0.34 115.11 124.16 1q81 h GLN 119 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1q81 h GLN 119 Cb 0.10 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1q81 h GLN 119 CO 0.01 0.33 0.28 -0.09 -1.93 0.00 0.00 178.83 177.43 1q81 h ARG 120 N -0.37 0.52 0.00 1.69 2.43 -0.94 0.17 114.38 117.88 1q81 h ARG 120 Ca -0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1q81 h ARG 120 Cb 0.36 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1q81 h ARG 120 CO 0.00 0.34 -0.30 1.25 -1.51 0.00 0.00 179.97 179.76 1q81 h HIS 121 N 0.53 0.00 0.00 2.20 2.76 -1.19 -2.40 115.15 117.05 1q81 h HIS 121 Ca 0.26 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1q81 h HIS 121 Cb 0.21 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1q81 h HIS 121 CO -0.11 0.30 -0.09 -0.09 -1.30 0.00 0.00 177.93 176.64 1q81 h ARG 122 N 0.00 0.00 0.69 5.26 2.43 0.02 -3.39 114.38 119.38 1q81 h ARG 122 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1q81 h ARG 122 Cb 0.56 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1q81 h ARG 122 CO 0.04 0.41 -0.41 0.28 -1.51 0.00 0.00 179.97 178.78 1q81 h VAL 123 N -1.00 0.00 0.00 0.20 2.07 -0.78 -3.49 116.25 113.25 1q81 h VAL 123 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1q81 h VAL 123 Cb 0.46 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1q81 h VAL 123 CO -0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.19 1q81 n GLY 124 N -1.53 -0.54 3.57 2.17 0.00 -0.91 -5.01 105.19 102.94 1q81 n GLY 124 Ca -0.13 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 1q81 n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s LYS 125 N 0.00 0.53 0.79 1.61 -2.85 -1.26 -5.04 119.74 113.52 1q81 s LYS 125 Ca 0.00 -0.03 -0.12 0.00 -1.00 0.00 0.00 55.97 54.81 1q81 s LYS 125 Cb 0.00 0.25 0.07 0.00 -2.06 0.00 0.00 37.83 36.09 1q81 s LYS 125 CO 0.00 -0.20 1.14 -1.25 0.10 0.00 0.00 175.35 175.14 1q81 s PRO 126 N -1.87 1.94 0.39 1.78 0.04 -1.26 -4.91 135.00 131.11 1q81 s PRO 126 Ca 0.03 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1q81 s PRO 126 Cb -0.01 -1.84 0.80 0.00 0.04 0.00 0.00 34.50 33.50 1q81 s PRO 126 CO -0.03 -1.93 2.04 1.96 0.04 0.00 0.00 177.00 179.08 1q81 h GLN 127 N -0.97 0.62 -5.78 4.56 4.20 -2.01 -3.47 115.11 112.26 1q81 h GLN 127 Ca -0.45 -0.04 -0.37 0.00 0.06 0.00 0.00 58.65 57.85 1q81 h GLN 127 Cb 1.26 -0.14 0.15 0.00 0.30 0.00 0.00 27.48 29.05 1q81 h GLN 127 CO 0.48 0.41 -0.73 1.19 -0.67 0.00 0.00 178.83 179.51 1q81 n PHE 128 N -4.47 -2.52 -3.31 2.96 0.99 -1.26 -4.98 117.46 104.87 1q81 n PHE 128 Ca 0.04 0.97 -0.32 0.00 -0.00 0.00 0.00 57.45 58.14 1q81 n PHE 128 Cb 0.07 -5.01 -0.06 0.00 -1.00 0.00 0.00 39.48 33.48 1q81 n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1q81 s ASN 129 N -3.84 6.69 0.11 4.37 0.01 -1.26 -4.29 114.94 116.73 1q81 s ASN 129 Ca 0.29 1.06 -0.35 0.00 -0.71 0.00 0.00 52.86 53.15 1q81 s ASN 129 Cb -0.13 -2.28 -0.15 0.00 0.41 0.00 0.00 41.25 39.10 1q81 s ASN 129 CO 0.74 -0.11 1.51 -1.14 -1.51 0.00 0.00 177.10 176.58 1q81 n ARG 130 N -0.17 1.76 -1.49 -0.60 0.63 -0.13 -4.85 116.66 111.80 1q81 n ARG 130 Ca 0.01 0.63 -0.45 0.00 -0.92 0.00 0.00 57.85 57.13 1q81 n ARG 130 Cb 0.53 -2.36 -0.01 0.00 0.45 0.00 0.00 32.46 31.06 1q81 n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1q81 n GLN 131 N 3.27 0.72 -1.46 -0.14 10.64 -1.26 -1.03 117.38 128.13 1q81 n GLN 131 Ca 0.18 0.25 -0.13 0.00 -1.83 0.00 0.00 57.00 55.47 1q81 n GLN 131 Cb 0.25 -1.48 -0.05 0.00 -0.86 0.00 0.00 30.24 28.09 1q81 n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1q81 n ASP 132 N 1.50 -3.56 0.11 2.61 8.00 -1.26 -4.79 116.55 119.16 1q81 n ASP 132 Ca 0.13 0.32 0.08 0.00 0.71 0.00 0.00 54.79 56.03 1q81 n ASP 132 Cb 0.31 -3.30 0.42 0.00 -0.02 0.00 0.00 41.12 38.53 1q81 n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n HIS 133 N -1.99 0.53 0.69 1.24 1.44 -0.19 -1.56 115.22 115.38 1q81 n HIS 133 Ca -0.14 0.26 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 1q81 n HIS 133 Cb 0.45 -0.91 0.21 0.00 0.12 0.00 0.00 29.99 29.86 1q81 n HIS 133 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1q81 n HIS 134 N -2.03 0.28 0.42 -1.40 1.44 -1.26 -4.19 115.22 108.48 1q81 n HIS 134 Ca 0.00 -0.14 0.09 0.00 -2.01 0.00 0.00 57.72 55.66 1q81 n HIS 134 Cb 0.08 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.07 1q81 n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1q81 n LYS 135 N 1.28 0.91 -3.70 -1.40 5.02 -0.60 -4.94 118.16 114.73 1q81 n LYS 135 Ca 0.17 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 1q81 n LYS 135 Cb 0.57 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 34.07 1q81 n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1q81 s LYS 136 N -2.93 0.14 0.49 1.97 2.47 -1.25 -5.04 119.74 115.59 1q81 s LYS 136 Ca 0.00 0.57 0.19 0.00 -1.56 0.00 0.00 55.97 55.17 1q81 s LYS 136 Cb 0.12 -0.13 1.23 0.00 -1.46 0.00 0.00 37.83 37.59 1q81 s LYS 136 CO 0.73 -0.22 2.06 0.87 0.16 0.00 0.00 175.35 178.95 1q81 h LYS 137 N 7.70 0.00 0.00 4.03 1.57 -1.92 -1.39 116.57 126.56 1q81 h LYS 137 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1q81 h LYS 137 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1q81 h LYS 137 CO 0.28 0.13 0.00 2.89 -0.57 0.00 0.00 179.45 182.17 1q81 n ARG 138 N -4.14 0.07 -3.55 3.15 1.85 -1.26 -4.45 116.66 108.33 1q81 n ARG 138 Ca -0.02 0.13 -0.41 0.00 -1.00 0.00 0.00 57.85 56.55 1q81 n ARG 138 Cb 0.20 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.01 1q81 n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1q81 s VAL 139 N -2.90 4.87 0.72 8.89 1.01 -0.52 -5.07 120.40 127.39 1q81 s VAL 139 Ca 0.12 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1q81 s VAL 139 Cb 0.14 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1q81 s VAL 139 CO 0.36 -0.20 1.03 -0.94 0.00 0.00 0.00 175.10 175.34 1q81 s SER 140 N 1.62 4.71 0.41 3.32 1.04 -1.26 -4.67 113.70 118.87 1q81 s SER 140 Ca 0.04 0.40 0.18 0.00 0.48 0.00 0.00 55.95 57.05 1q81 s SER 140 Cb -0.19 -1.01 0.90 0.00 0.10 0.00 0.00 66.02 65.82 1q81 s SER 140 CO 0.08 -1.66 1.87 0.00 0.98 0.00 0.00 173.24 174.51 1q81 h THR 141 N -0.64 1.01 -1.24 2.02 1.03 -1.91 -3.41 112.91 109.76 1q81 h THR 141 Ca -0.44 -1.11 -0.81 0.00 -0.01 0.00 0.00 66.41 64.04 1q81 h THR 141 Cb 1.31 1.64 0.02 0.00 -1.07 0.00 0.00 68.15 70.04 1q81 h THR 141 CO 0.58 0.30 0.74 -0.24 -0.01 0.00 0.00 175.52 176.88 1q81 n SER 142 N -3.88 1.64 -4.69 0.00 2.88 -1.26 -0.96 113.62 107.35 1q81 n SER 142 Ca -0.02 1.14 -0.43 0.00 -1.33 0.00 0.00 58.87 58.23 1q81 n SER 142 Cb 0.38 -1.00 -0.03 0.00 -0.75 0.00 0.00 64.21 62.81 1q81 n SER 142 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1q81 n TRP 143 N 4.38 2.59 -4.28 0.66 -0.00 -1.26 -4.17 117.44 115.36 1q81 n TRP 143 Ca 0.28 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.50 57.58 1q81 n TRP 143 Cb 0.03 -2.68 -0.15 0.00 -0.00 0.00 0.00 31.31 28.51 1q81 n TRP 143 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1q81 s ARG 144 N 2.09 0.63 -0.13 5.87 1.81 -1.26 -4.94 118.95 123.02 1q81 s ARG 144 Ca 0.80 -0.26 -0.29 0.00 -1.72 0.00 0.00 55.73 54.26 1q81 s ARG 144 Cb -0.53 -0.61 -0.04 0.00 -0.45 0.00 0.00 34.95 33.31 1q81 s ARG 144 CO 0.37 0.15 1.71 0.21 -0.68 0.00 0.00 175.30 177.05 1q81 s LYS 145 N -0.10 3.92 0.05 3.54 2.20 -1.26 -4.62 119.74 123.46 1q81 s LYS 145 Ca 0.02 1.97 -0.32 0.00 -0.36 0.00 0.00 55.97 57.28 1q81 s LYS 145 Cb -0.04 -4.05 -0.11 0.00 -1.51 0.00 0.00 37.83 32.12 1q81 s LYS 145 CO -0.00 -1.16 1.83 -0.35 -0.36 0.00 0.00 175.35 175.31 1q81 n PRO 146 N 7.53 2.51 -0.01 4.03 -0.04 -1.26 -4.84 135.00 142.92 1q81 n PRO 146 Ca 0.19 0.91 0.09 0.00 -0.04 0.00 0.00 63.50 64.65 1q81 n PRO 146 Cb 0.44 -2.78 -0.13 0.00 -0.04 0.00 0.00 33.50 30.99 1q81 n PRO 146 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q81 n ARG 147 N 5.91 0.75 -1.63 0.54 5.12 -1.26 -4.73 116.66 121.35 1q81 n ARG 147 Ca 0.20 -0.12 -0.54 0.00 -1.93 0.00 0.00 57.85 55.46 1q81 n ARG 147 Cb 0.34 -1.39 -0.06 0.00 -1.16 0.00 0.00 32.46 30.18 1q81 n ARG 147 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q81 n GLY 148 N 1.47 0.60 0.31 -0.13 0.00 -1.26 -4.79 105.19 101.37 1q81 n GLY 148 Ca -0.01 0.79 0.17 0.00 0.00 0.00 0.00 46.02 46.96 1q81 n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1q81 h GLN 149 N 5.49 0.00 -0.15 1.61 1.08 -2.02 -0.48 115.11 120.64 1q81 h GLN 149 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1q81 h GLN 149 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1q81 h GLN 149 CO 0.84 0.01 0.00 1.28 -0.95 0.00 0.00 178.83 180.01 1q81 n LEU 150 N -3.61 2.23 -4.57 1.46 4.77 -1.26 -5.00 117.00 111.02 1q81 n LEU 150 Ca -0.03 -1.57 -0.51 0.00 -0.03 0.00 0.00 56.01 53.87 1q81 n LEU 150 Cb 0.09 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1q81 n LEU 150 CO 0.26 0.52 0.76 -0.24 -1.33 0.00 0.00 177.39 177.35 1q81 n SER 151 N 0.32 1.30 0.17 -1.43 2.88 -0.19 -4.85 113.62 111.82 1q81 n SER 151 Ca 0.07 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 58.79 1q81 n SER 151 Cb 0.30 -1.18 0.21 0.00 -0.75 0.00 0.00 64.21 62.78 1q81 n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1q81 h LYS 152 N 3.70 0.00 0.03 -1.46 1.79 -1.96 -2.69 116.57 116.00 1q81 h LYS 152 Ca -0.45 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1q81 h LYS 152 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1q81 h LYS 152 CO 0.72 0.42 -0.02 0.37 -1.08 0.00 0.00 179.45 179.87 1q81 h GLN 153 N 0.00 -0.04 -0.80 3.15 4.15 -1.89 -1.81 115.11 117.87 1q81 h GLN 153 Ca -0.00 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.65 1q81 h GLN 153 Cb 1.11 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1q81 h GLN 153 CO 0.05 0.02 0.80 -0.09 -1.93 0.00 0.00 178.83 177.69 1q81 h ARG 154 N -1.01 0.00 -0.01 1.69 2.43 -1.85 2.22 114.38 117.86 1q81 h ARG 154 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q81 h ARG 154 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1q81 h ARG 154 CO 0.01 0.00 -0.18 0.54 -1.51 0.00 0.00 179.97 178.83 1q81 n ARG 155 N -3.64 0.93 -2.32 0.20 1.74 -1.01 -4.95 116.66 107.61 1q81 n ARG 155 Ca 0.17 -0.50 -0.09 0.00 -0.77 0.00 0.00 57.85 56.66 1q81 n ARG 155 Cb 1.07 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 1q81 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 156 N 1.30 0.09 3.63 -0.13 0.00 0.75 -4.97 105.19 105.86 1q81 n GLY 156 Ca 0.14 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1q81 n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q81 s ILE 157 N -2.56 4.12 -0.07 -0.61 1.01 -0.69 -4.92 121.20 117.48 1q81 s ILE 157 Ca 0.05 1.28 -0.40 0.00 0.00 0.00 0.00 60.65 61.58 1q81 s ILE 157 Cb -0.02 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 38.18 1q81 s ILE 157 CO 0.06 -0.40 1.34 1.17 0.00 0.00 0.00 174.94 177.11 1q81 n LYS 158 N 7.23 0.63 0.00 2.79 4.81 -1.26 -1.27 118.16 131.09 1q81 n LYS 158 Ca 0.15 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1q81 n LYS 158 Cb 0.46 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1q81 n LYS 158 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q81 n GLY 159 N 2.61 2.27 1.13 3.14 0.00 -1.26 -4.93 105.19 108.15 1q81 n GLY 159 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1q81 n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q81 n LYS 160 N -1.20 2.43 0.00 1.61 4.76 -0.40 -5.06 118.16 120.30 1q81 n LYS 160 Ca 0.00 -2.21 0.00 0.00 -2.87 0.00 0.00 58.31 53.23 1q81 n LYS 160 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 1q81 n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q81 n GLY 161 N 1.48 2.07 3.81 0.72 0.00 -1.26 -4.65 105.19 107.36 1q81 n GLY 161 Ca 0.21 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 1q81 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q81 s ASP 162 N -0.09 7.05 -0.16 1.61 1.01 -1.26 -4.92 116.67 119.91 1q81 s ASP 162 Ca 0.00 1.56 -0.07 0.00 0.71 0.00 0.00 52.55 54.74 1q81 s ASP 162 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1q81 s ASP 162 CO 0.00 -0.12 0.09 -0.89 0.21 0.00 0.00 175.17 174.46 1q81 s THR 163 N -1.78 5.06 0.02 -1.27 2.01 -1.26 -4.84 115.64 113.58 1q81 s THR 163 Ca 0.51 0.06 -0.35 0.00 0.31 0.00 0.00 61.69 62.22 1q81 s THR 163 Cb -0.14 -3.26 -0.14 0.00 0.01 0.00 0.00 72.50 68.97 1q81 s THR 163 CO 0.19 0.51 1.66 0.52 -0.69 0.00 0.00 174.62 176.81 1q81 n VAL 164 N 3.04 0.23 -4.06 3.82 0.31 -1.26 -4.97 118.33 115.44 1q81 n VAL 164 Ca -0.17 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1q81 n VAL 164 Cb 0.53 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 1q81 n VAL 164 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1q81 s GLU 165 N 2.22 0.69 0.15 5.55 2.02 -1.26 -5.05 118.70 123.02 1q81 s GLU 165 Ca 0.87 -1.21 -0.16 0.00 0.02 0.00 0.00 54.97 54.49 1q81 s GLU 165 Cb -0.77 0.24 0.02 0.00 0.10 0.00 0.00 34.13 33.72 1q81 s GLU 165 CO 0.47 -0.16 1.79 0.00 0.02 0.00 0.00 175.26 177.38 1q81 h ALA 166 N 3.05 0.56 0.00 5.21 0.00 -2.02 -2.71 119.26 123.34 1q81 h ALA 166 Ca -0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1q81 h ALA 166 Cb 1.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1q81 h ALA 166 CO 0.63 0.05 0.82 0.78 0.00 0.00 0.00 179.25 181.53 1q81 h GLY 167 N 0.58 0.00 0.82 0.00 0.00 -1.99 0.11 103.07 102.59 1q81 h GLY 167 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1q81 h GLY 167 CO -0.03 0.00 -0.11 0.69 0.00 0.00 0.00 176.54 177.09 1q81 n PHE 168 N -2.56 0.00 -1.22 5.60 3.01 -1.02 -4.95 117.46 116.32 1q81 n PHE 168 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 1q81 n PHE 168 Cb 0.83 -0.17 0.11 0.00 -0.01 0.00 0.00 39.48 40.24 1q81 n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1q81 n ARG 169 N -0.90 0.33 -3.28 -1.08 5.12 0.38 -5.01 116.66 112.23 1q81 n ARG 169 Ca 0.15 0.18 -0.29 0.00 -1.93 0.00 0.00 57.85 55.95 1q81 n ARG 169 Cb 0.28 -2.28 -0.03 0.00 -1.16 0.00 0.00 32.46 29.26 1q81 n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1q81 s SER 170 N -1.85 6.47 -0.41 0.55 1.04 -1.26 -4.99 113.70 113.24 1q81 s SER 170 Ca 0.72 0.79 -0.43 0.00 0.48 0.00 0.00 55.95 57.51 1q81 s SER 170 Cb -0.31 -2.17 -0.17 0.00 0.10 0.00 0.00 66.02 63.46 1q81 s SER 170 CO 0.52 -0.21 1.82 -2.65 0.98 0.00 0.00 173.24 173.70 1q81 n PRO 171 N -0.92 0.49 -0.23 4.02 -0.02 -1.26 -4.69 135.00 132.39 1q81 n PRO 171 Ca -0.01 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1q81 n PRO 171 Cb 0.54 -1.80 0.02 0.00 -0.02 0.00 0.00 33.50 32.23 1q81 n PRO 171 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1q81 n THR 172 N 5.06 -0.32 0.24 3.45 -1.04 -1.26 0.03 114.28 120.45 1q81 n THR 172 Ca 0.36 1.39 0.16 0.00 -2.04 0.00 0.00 64.05 63.91 1q81 n THR 172 Cb 0.04 -1.82 0.84 0.00 -1.82 0.00 0.00 70.33 67.57 1q81 n THR 172 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q81 h ALA 173 N 0.78 1.01 0.00 2.41 0.00 -1.99 -3.16 119.26 118.31 1q81 h ALA 173 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1q81 h ALA 173 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1q81 h ALA 173 CO -0.58 -0.01 0.00 0.28 0.00 0.00 0.00 179.25 178.93 1q81 n VAL 174 N -2.59 0.00 -1.66 0.00 0.31 0.10 -4.96 118.33 109.53 1q81 n VAL 174 Ca -0.02 -0.30 -0.49 0.00 -0.01 0.00 0.00 64.34 63.52 1q81 n VAL 174 Cb 0.06 1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 34.11 1q81 n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1q81 n ARG 175 N -0.35 1.88 -0.05 5.55 0.63 -0.66 -1.57 116.66 122.10 1q81 n ARG 175 Ca 0.00 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 1q81 n ARG 175 Cb 0.04 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1q81 n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q81 n GLY 176 N 3.60 1.34 3.78 5.14 0.00 -1.26 -5.04 105.19 112.76 1q81 n GLY 176 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1q81 n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 s LYS 177 N -0.53 4.13 1.04 1.61 1.02 -0.61 -4.63 119.74 121.77 1q81 s LYS 177 Ca 0.00 1.55 -0.12 0.00 0.02 0.00 0.00 55.97 57.42 1q81 s LYS 177 Cb 0.00 -2.54 0.21 0.00 -0.52 0.00 0.00 37.83 34.99 1q81 s LYS 177 CO 0.00 -0.18 1.08 -1.58 -0.92 0.00 0.00 175.35 173.75 1q81 s HIS 178 N -1.64 1.56 0.22 3.18 5.65 -0.37 -4.86 115.29 119.02 1q81 s HIS 178 Ca 0.58 1.43 0.36 0.00 0.25 0.00 0.00 55.06 57.68 1q81 s HIS 178 Cb -0.23 -3.20 1.69 0.00 -1.18 0.00 0.00 32.58 29.66 1q81 s HIS 178 CO 0.29 -3.31 2.07 -1.00 -0.65 0.00 0.00 174.74 172.14 1q81 h PRO 179 N -2.23 0.00 -0.02 2.88 0.13 -1.95 -2.83 132.00 127.98 1q81 h PRO 179 Ca -0.53 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.46 1q81 h PRO 179 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1q81 h PRO 179 CO 0.47 0.00 -0.62 0.66 -0.23 0.00 0.00 178.00 178.28 1q81 h SER 180 N 0.00 0.10 0.00 1.44 4.64 -2.00 -3.47 113.55 114.26 1q81 h SER 180 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1q81 h SER 180 Cb 0.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1q81 h SER 180 CO 0.00 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1q81 n GLY 181 N 0.27 1.84 3.77 -0.77 0.00 -1.07 -4.61 105.19 104.63 1q81 n GLY 181 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1q81 n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q81 s PHE 182 N -1.39 2.57 -0.28 1.61 0.40 -1.26 -4.74 117.98 114.88 1q81 s PHE 182 Ca 0.00 1.56 -0.09 0.00 -0.60 0.00 0.00 56.93 57.79 1q81 s PHE 182 Cb 0.00 -3.18 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 1q81 s PHE 182 CO 0.00 -1.77 0.13 -1.21 0.70 0.00 0.00 175.22 173.08 1q81 s GLU 183 N -4.13 3.59 0.59 0.44 0.41 -1.05 -1.24 118.70 117.30 1q81 s GLU 183 Ca 0.67 -0.54 -0.18 0.00 -0.41 0.00 0.00 54.97 54.51 1q81 s GLU 183 Cb -0.21 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 1q81 s GLU 183 CO 0.43 -0.28 1.14 -1.21 -0.49 0.00 0.00 175.26 174.84 1q81 s GLU 184 N 1.65 3.10 -0.07 1.61 2.02 -1.26 -3.17 118.70 122.58 1q81 s GLU 184 Ca 0.06 1.59 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 1q81 s GLU 184 Cb -0.16 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.13 1q81 s GLU 184 CO 0.06 -1.05 0.05 0.08 0.02 0.00 0.00 175.26 174.43 1q81 s VAL 185 N -1.90 0.01 -0.00 2.63 1.01 -1.02 -4.94 120.40 116.19 1q81 s VAL 185 Ca 0.72 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 1q81 s VAL 185 Cb -0.24 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1q81 s VAL 185 CO 0.32 0.11 1.41 -0.60 0.00 0.00 0.00 175.10 176.34 1q81 s ARG 186 N 2.12 4.28 -0.07 2.72 6.06 -1.26 -1.08 118.95 131.72 1q81 s ARG 186 Ca 0.04 1.97 0.04 0.00 -2.50 0.00 0.00 55.73 55.28 1q81 s ARG 186 Cb -0.13 -3.58 0.00 0.00 0.06 0.00 0.00 34.95 31.30 1q81 s ARG 186 CO -0.05 -0.58 -0.18 0.54 -2.50 0.00 0.00 175.30 172.53 1q81 s VAL 187 N 2.44 1.57 -0.09 7.11 0.11 0.24 -4.91 120.40 126.87 1q81 s VAL 187 Ca 0.64 -0.76 0.12 0.00 -2.93 0.00 0.00 61.98 59.05 1q81 s VAL 187 Cb -0.31 -1.37 -0.18 0.00 -1.53 0.00 0.00 36.38 32.98 1q81 s VAL 187 CO 0.26 0.45 0.30 1.41 -3.33 0.00 0.00 175.10 174.19 1q81 n HIS 188 N 3.47 0.00 -3.44 1.54 8.25 -1.26 -1.81 115.22 121.98 1q81 n HIS 188 Ca -0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.23 1q81 n HIS 188 Cb 0.52 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1q81 n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1q81 n ASN 189 N -1.84 -0.57 -0.02 0.41 2.04 -1.26 -4.91 115.26 109.12 1q81 n ASN 189 Ca -0.02 -1.51 -0.11 0.00 -0.44 0.00 0.00 54.58 52.50 1q81 n ASN 189 Cb 0.30 0.98 0.02 0.00 -2.53 0.00 0.00 39.78 38.55 1q81 n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1q81 h VAL 190 N 1.30 1.31 0.00 3.53 2.07 -1.96 -3.08 116.25 119.42 1q81 h VAL 190 Ca -0.09 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1q81 h VAL 190 Cb 0.36 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1q81 h VAL 190 CO 0.12 0.57 0.00 0.44 0.02 0.00 0.00 177.57 178.72 1q81 h ASP 191 N 0.49 0.00 1.20 0.57 3.32 -1.99 -1.08 116.42 118.93 1q81 h ASP 191 Ca 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1q81 h ASP 191 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1q81 h ASP 191 CO 0.11 0.00 -0.26 0.44 -1.72 0.00 0.00 179.24 177.82 1q81 h ASP 192 N 0.00 0.00 0.57 6.45 3.32 -1.95 -2.99 116.42 121.83 1q81 h ASP 192 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q81 h ASP 192 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1q81 h ASP 192 CO 0.00 0.26 0.00 0.18 -1.72 0.00 0.00 179.24 177.96 1q81 n LEU 193 N -3.30 0.56 -4.71 1.55 4.77 -0.41 -4.73 117.00 110.74 1q81 n LEU 193 Ca 0.01 0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 56.23 1q81 n LEU 193 Cb 0.51 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1q81 n LEU 193 CO 0.35 -0.59 0.88 -0.70 -1.33 0.00 0.00 177.39 176.00 1q81 s GLU 194 N -3.31 4.43 0.00 3.23 2.12 -1.13 -2.96 118.70 121.07 1q81 s GLU 194 Ca 0.03 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1q81 s GLU 194 Cb 0.09 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1q81 s GLU 194 CO 0.34 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 1q81 n GLY 195 N 3.22 0.80 3.65 -1.50 0.00 -1.26 -5.04 105.19 105.06 1q81 n GLY 195 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1q81 n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 196 N -2.49 4.84 -0.51 1.61 1.01 -1.16 -5.00 120.40 118.70 1q81 s VAL 196 Ca 0.00 1.60 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 1q81 s VAL 196 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1q81 s VAL 196 CO 0.00 -0.05 1.47 -0.62 0.00 0.00 0.00 175.10 175.90 1q81 s ASP 197 N 1.28 6.10 0.00 3.32 -1.08 -1.26 -4.87 116.67 120.16 1q81 s ASP 197 Ca 0.36 0.50 0.07 0.00 -0.52 0.00 0.00 52.55 52.96 1q81 s ASP 197 Cb -0.16 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.09 1q81 s ASP 197 CO 0.08 -1.69 1.12 0.61 0.52 0.00 0.00 175.17 175.81 1q81 n GLY 198 N 5.26 -0.58 0.13 2.66 0.00 -1.26 0.55 105.19 111.95 1q81 n GLY 198 Ca 0.15 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1q81 n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 199 N -1.36 2.01 -0.01 1.61 8.00 -1.26 -4.52 116.55 121.02 1q81 n ASP 199 Ca 0.03 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.55 1q81 n ASP 199 Cb 0.06 -0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 1q81 n ASP 199 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1q81 h THR 200 N -0.29 0.86 -2.77 -3.53 2.02 -1.86 -3.30 112.91 104.03 1q81 h THR 200 Ca -0.52 -2.68 -0.56 0.00 0.77 0.00 0.00 66.41 63.41 1q81 h THR 200 Cb 1.81 2.46 -0.16 0.00 -1.74 0.00 0.00 68.15 70.52 1q81 h THR 200 CO -0.11 0.58 -0.77 -1.61 0.37 0.00 0.00 175.52 173.98 1q81 s GLU 201 N -2.60 1.48 0.27 6.66 2.02 0.19 -2.54 118.70 124.19 1q81 s GLU 201 Ca -0.07 -1.61 0.07 0.00 0.02 0.00 0.00 54.97 53.38 1q81 s GLU 201 Cb 0.08 -1.54 -0.06 0.00 0.10 0.00 0.00 34.13 32.71 1q81 s GLU 201 CO 0.82 0.30 -0.09 0.00 0.02 0.00 0.00 175.26 176.31 1q81 s ALA 202 N -2.37 2.36 0.13 5.21 0.00 -1.19 -4.24 121.76 121.66 1q81 s ALA 202 Ca 0.24 -1.87 0.10 0.00 0.00 0.00 0.00 51.96 50.42 1q81 s ALA 202 Cb -0.05 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1q81 s ALA 202 CO 0.10 -0.01 -0.19 0.54 0.00 0.00 0.00 175.76 176.20 1q81 s VAL 203 N -2.94 2.72 -0.20 0.00 0.11 0.74 -2.45 120.40 118.39 1q81 s VAL 203 Ca 0.28 -1.61 0.01 0.00 -2.93 0.00 0.00 61.98 57.73 1q81 s VAL 203 Cb 0.02 -2.26 0.04 0.00 -1.53 0.00 0.00 36.38 32.66 1q81 s VAL 203 CO 0.11 0.06 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.25 1q81 s ARG 204 N -2.23 1.97 -0.20 1.54 3.52 -0.24 -0.59 118.95 122.73 1q81 s ARG 204 Ca 0.18 -0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 54.67 1q81 s ARG 204 Cb -0.10 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 1q81 s ARG 204 CO 0.10 -0.43 1.03 0.42 -0.81 0.00 0.00 175.30 175.60 1q81 s ILE 205 N 1.42 4.71 0.36 4.11 1.01 -1.26 -0.59 121.20 130.95 1q81 s ILE 205 Ca -0.01 2.03 -0.25 0.00 0.00 0.00 0.00 60.65 62.42 1q81 s ILE 205 Cb -0.16 -4.31 -0.13 0.00 0.01 0.00 0.00 42.46 37.87 1q81 s ILE 205 CO -0.08 -0.13 0.78 0.00 0.00 0.00 0.00 174.94 175.51 1q81 n ALA 206 N 5.97 -0.90 0.27 9.38 0.00 -0.75 -4.85 120.51 129.62 1q81 n ALA 206 Ca 0.11 0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.93 1q81 n ALA 206 Cb 0.47 -1.90 0.73 0.00 0.00 0.00 0.00 19.45 18.75 1q81 n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q81 h SER 207 N 1.31 0.00 -0.68 0.00 4.64 -1.94 -3.02 113.55 113.87 1q81 h SER 207 Ca -0.40 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1q81 h SER 207 Cb 1.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 1q81 h SER 207 CO 0.56 0.07 0.17 0.11 -0.87 0.00 0.00 176.83 176.87 1q81 h LYS 208 N 0.00 1.08 -6.22 4.77 1.57 -1.99 -3.45 116.57 112.33 1q81 h LYS 208 Ca -0.00 -0.25 -0.68 0.00 -1.87 0.00 0.00 60.65 57.84 1q81 h LYS 208 Cb 0.14 -0.14 0.07 0.00 0.08 0.00 0.00 32.23 32.38 1q81 h LYS 208 CO 0.01 0.96 0.16 0.28 -0.57 0.00 0.00 179.45 180.28 1q81 n VAL 209 N -4.28 0.74 -1.99 0.50 0.31 -1.14 -4.96 118.33 107.51 1q81 n VAL 209 Ca 0.05 -0.19 -0.29 0.00 -0.01 0.00 0.00 64.34 63.90 1q81 n VAL 209 Cb 0.25 -0.58 0.06 0.00 -0.91 0.00 0.00 33.84 32.65 1q81 n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q81 s GLY 210 N -0.06 1.62 0.30 2.92 0.00 -1.26 -4.86 107.32 105.98 1q81 s GLY 210 Ca 0.77 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1q81 s GLY 210 CO 0.53 -0.13 1.90 0.00 0.00 0.00 0.00 173.10 175.40 1q81 h ALA 211 N -0.69 1.50 0.91 3.20 0.00 -1.98 0.18 119.26 122.39 1q81 h ALA 211 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1q81 h ALA 211 Cb 1.28 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1q81 h ALA 211 CO 0.64 0.35 -0.44 -0.09 0.00 0.00 0.00 179.25 179.71 1q81 h ARG 212 N 1.05 -1.18 -0.05 0.00 2.43 -2.01 -2.05 114.38 112.56 1q81 h ARG 212 Ca 0.40 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.65 1q81 h ARG 212 Cb 0.22 0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1q81 h ARG 212 CO -0.16 -0.79 -0.02 -0.22 -1.51 0.00 0.00 179.97 177.28 1q81 h LYS 213 N -1.26 0.07 -0.02 0.20 3.64 -1.91 -2.71 116.57 114.58 1q81 h LYS 213 Ca -0.13 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1q81 h LYS 213 Cb 0.94 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1q81 h LYS 213 CO 0.21 0.09 0.01 0.00 -2.27 0.00 0.00 179.45 177.49 1q81 h ARG 214 N 0.07 0.03 -0.65 1.90 3.08 -0.35 -1.87 114.38 116.59 1q81 h ARG 214 Ca 0.02 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.20 1q81 h ARG 214 Cb 0.08 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.03 1q81 h ARG 214 CO 0.00 0.05 0.11 1.49 -1.07 0.00 0.00 179.97 180.56 1q81 h GLU 215 N -0.00 0.22 -0.19 0.04 4.81 -1.04 0.44 114.58 118.86 1q81 h GLU 215 Ca 0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1q81 h GLU 215 Cb 0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1q81 h GLU 215 CO -0.00 0.15 0.04 0.00 -0.73 0.00 0.00 179.01 178.46 1q81 h ARG 216 N 0.23 0.31 -0.41 1.92 3.08 -1.50 -2.11 114.38 115.89 1q81 h ARG 216 Ca 0.35 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.33 1q81 h ARG 216 Cb 0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1q81 h ARG 216 CO -0.47 0.46 0.26 0.82 -1.07 0.00 0.00 179.97 179.97 1q81 h ILE 217 N 0.11 1.07 -0.53 2.04 2.04 -0.35 -2.19 117.51 119.70 1q81 h ILE 217 Ca 0.06 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1q81 h ILE 217 Cb 0.29 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1q81 h ILE 217 CO 0.00 0.10 0.16 -0.33 0.00 0.00 0.00 178.15 178.08 1q81 h GLU 218 N 0.52 0.80 -0.00 2.37 5.08 -0.13 -1.55 114.58 121.67 1q81 h GLU 218 Ca 0.16 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1q81 h GLU 218 Cb -0.03 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1q81 h GLU 218 CO -0.05 0.69 -0.34 1.05 -1.00 0.00 0.00 179.01 179.37 1q81 h GLU 219 N 0.78 0.23 0.00 2.33 4.11 -1.17 -3.00 114.58 117.85 1q81 h GLU 219 Ca 0.18 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 1q81 h GLU 219 Cb 0.24 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1q81 h GLU 219 CO -0.01 0.97 -0.13 1.49 0.07 0.00 0.00 179.01 181.39 1q81 h GLU 220 N -0.41 0.00 -0.00 1.06 4.81 -1.42 -2.38 114.58 116.24 1q81 h GLU 220 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1q81 h GLU 220 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1q81 h GLU 220 CO 0.07 0.13 -0.00 0.00 -0.73 0.00 0.00 179.01 178.48 1q81 h ALA 221 N 1.87 0.01 -0.37 2.92 0.00 -1.34 -2.81 119.26 119.53 1q81 h ALA 221 Ca -0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1q81 h ALA 221 Cb 0.57 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1q81 h ALA 221 CO 0.02 -0.25 -0.03 1.49 0.00 0.00 0.00 179.25 180.48 1q81 h GLU 222 N -0.47 0.07 0.00 0.00 4.81 -1.35 0.12 114.58 117.76 1q81 h GLU 222 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q81 h GLU 222 Cb 0.48 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1q81 h GLU 222 CO 0.00 0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 178.07 1q81 n ASP 223 N -5.22 0.17 -1.06 1.04 8.00 -0.92 -0.67 116.55 117.89 1q81 n ASP 223 Ca 0.02 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1q81 n ASP 223 Cb 0.20 -0.59 0.18 0.00 -0.02 0.00 0.00 41.12 40.88 1q81 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n ALA 224 N -1.58 2.42 -2.43 2.24 0.00 0.34 -4.95 120.51 116.55 1q81 n ALA 224 Ca 0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 1q81 n ALA 224 Cb 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1q81 n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 225 N 1.39 0.01 3.55 0.00 0.00 0.15 -4.53 105.19 105.76 1q81 n GLY 225 Ca 0.17 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1q81 n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q81 s ILE 226 N -2.70 3.29 -0.02 -0.61 1.01 -0.85 -4.10 121.20 117.22 1q81 s ILE 226 Ca 0.08 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 1q81 s ILE 226 Cb -0.04 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1q81 s ILE 226 CO 0.10 0.21 0.32 -0.60 0.00 0.00 0.00 174.94 174.97 1q81 s ARG 227 N -1.92 3.74 -0.40 2.79 3.52 -1.26 -4.01 118.95 121.40 1q81 s ARG 227 Ca 0.19 0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 55.85 1q81 s ARG 227 Cb -0.11 -3.17 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1q81 s ARG 227 CO 0.11 0.69 0.27 0.08 -0.81 0.00 0.00 175.30 175.65 1q81 s VAL 228 N -1.13 4.96 0.21 7.11 1.01 -1.26 -0.19 120.40 131.11 1q81 s VAL 228 Ca 0.23 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1q81 s VAL 228 Cb -0.15 -3.80 0.15 0.00 0.00 0.00 0.00 36.38 32.59 1q81 s VAL 228 CO 0.12 -0.32 1.82 -0.07 0.00 0.00 0.00 175.10 176.65 1q81 h LEU 229 N 8.56 0.63 -7.54 3.92 3.38 -1.22 -3.27 115.31 119.77 1q81 h LEU 229 Ca -0.26 0.02 -0.71 0.00 0.09 0.00 0.00 57.88 57.02 1q81 h LEU 229 Cb 1.11 -0.11 -0.34 0.00 0.09 0.00 0.00 40.66 41.41 1q81 h LEU 229 CO 0.72 0.42 -0.25 0.54 0.09 0.00 0.00 178.44 179.96 1q81 s ASN 230 N -5.66 5.57 0.48 -0.43 4.22 -1.26 -5.08 114.94 112.79 1q81 s ASN 230 Ca -0.13 -3.02 0.01 0.00 -2.14 0.00 0.00 52.86 47.58 1q81 s ASN 230 Cb 0.16 -1.91 0.01 0.00 1.28 0.00 0.00 41.25 40.80 1q81 s ASN 230 CO 0.77 -0.35 0.70 -2.16 -2.04 0.00 0.00 177.10 174.01 1q81 s PRO 231 N -0.32 2.84 -0.11 3.55 0.04 -1.24 -4.70 135.00 135.07 1q81 s PRO 231 Ca 0.19 -0.67 -0.15 0.00 0.04 0.00 0.00 61.00 60.41 1q81 s PRO 231 Cb -0.16 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1q81 s PRO 231 CO -0.06 -0.43 0.36 0.99 0.04 0.00 0.00 177.00 177.90 1q81 s THR 232 N -2.61 5.22 -0.34 1.26 2.01 -1.26 -4.88 115.64 115.04 1q81 s THR 232 Ca 0.52 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 63.06 1q81 s THR 232 Cb -0.10 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1q81 s THR 232 CO 0.37 0.42 0.46 -0.31 -0.69 0.00 0.00 174.62 174.88 1q81 s TYR 233 N 0.11 3.20 0.06 4.92 1.51 -1.26 -1.45 117.35 124.44 1q81 s TYR 233 Ca 0.21 0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.46 1q81 s TYR 233 Cb -0.14 -2.82 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1q81 s TYR 233 CO 0.08 -0.48 -0.02 0.08 -1.11 0.00 0.00 175.55 174.10 1q81 s VAL 234 N 2.26 3.95 -0.26 0.71 1.01 0.06 -4.79 120.40 123.33 1q81 s VAL 234 Ca 0.16 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 1q81 s VAL 234 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1q81 s VAL 234 CO 0.12 0.21 0.88 -1.61 0.00 0.00 0.00 175.10 174.70 1q81 s GLU 235 N -2.01 4.14 0.00 2.72 8.01 -1.26 0.80 118.70 131.10 1q81 s GLU 235 Ca 0.23 0.95 0.00 0.00 0.01 0.00 0.00 54.97 56.16 1q81 s GLU 235 Cb -0.12 -3.67 0.00 0.00 -4.31 0.00 0.00 34.13 26.04 1q81 s GLU 235 CO 0.15 -0.60 0.41 0.28 0.01 0.00 0.00 175.26 175.50