#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x29 n PRO 81 N 0.00 0.67 -2.80 -0.67 -0.04 -1.26 -4.90 135.00 126.00 2x29 n PRO 81 Ca 0.00 0.01 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 2x29 n PRO 81 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2x29 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x29 s ALA 82 N -2.27 3.11 0.32 0.55 0.00 -1.26 -4.71 121.76 117.50 2x29 s ALA 82 Ca 0.36 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 2x29 s ALA 82 Cb 0.19 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2x29 s ALA 82 CO 0.38 0.09 0.70 0.20 0.00 0.00 0.00 175.76 177.13 2x29 s GLY 83 N -2.40 2.25 -0.18 0.00 0.00 -0.72 -4.86 107.32 101.41 2x29 s GLY 83 Ca 0.60 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 45.18 2x29 s GLY 83 CO 0.18 0.12 0.06 -2.27 0.00 0.00 0.00 173.10 171.19 2x29 s LEU 84 N -3.10 3.82 -0.39 0.66 0.20 -0.19 -0.89 118.68 118.79 2x29 s LEU 84 Ca 0.52 0.09 -0.06 0.00 0.69 0.00 0.00 54.13 55.37 2x29 s LEU 84 Cb -0.10 -1.96 0.08 0.00 -0.43 0.00 0.00 46.19 43.78 2x29 s LEU 84 CO 0.20 0.19 0.19 -0.76 -0.29 0.00 0.00 176.35 175.88 2x29 s LEU 85 N 0.30 4.92 -0.49 -0.68 1.43 0.13 -0.63 118.68 123.67 2x29 s LEU 85 Ca 0.03 -1.61 -0.05 0.00 -1.03 0.00 0.00 54.13 51.48 2x29 s LEU 85 Cb -0.12 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.34 2x29 s LEU 85 CO 0.00 -0.48 0.31 -0.62 0.23 0.00 0.00 176.35 175.79 2x29 s ASP 86 N 1.85 5.40 -0.12 2.29 -1.08 -1.26 -1.41 116.67 122.33 2x29 s ASP 86 Ca 0.03 -2.22 -0.01 0.00 -0.52 0.00 0.00 52.55 49.83 2x29 s ASP 86 Cb -0.22 -1.89 -0.02 0.00 -1.46 0.00 0.00 42.92 39.33 2x29 s ASP 86 CO -0.00 -0.54 -0.08 -0.76 0.52 0.00 0.00 175.17 174.31 2x29 s LEU 87 N 0.88 3.02 0.64 -1.34 1.43 -1.26 -5.05 118.68 117.00 2x29 s LEU 87 Ca 0.10 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 2x29 s LEU 87 Cb -0.23 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2x29 s LEU 87 CO -0.03 0.22 1.05 -0.13 0.23 0.00 0.00 176.35 177.68 2x29 s ARG 88 N 0.05 3.25 0.08 1.70 0.52 -1.26 -4.82 118.95 118.48 2x29 s ARG 88 Ca -0.02 0.94 -0.37 0.00 -0.52 0.00 0.00 55.73 55.76 2x29 s ARG 88 Cb -0.14 -2.03 -0.17 0.00 0.52 0.00 0.00 34.95 33.13 2x29 s ARG 88 CO 0.03 -0.85 1.24 0.94 0.02 0.00 0.00 175.30 176.69 2x29 n GLN 89 N -2.73 0.88 -1.35 3.54 7.27 -1.26 -4.63 117.38 119.09 2x29 n GLN 89 Ca 0.07 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.46 2x29 n GLN 89 Cb 0.54 -1.89 0.00 0.00 2.41 0.00 0.00 30.24 31.29 2x29 n GLN 89 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2x29 n GLY 90 N 2.22 0.48 3.63 1.69 0.00 0.88 -5.01 105.19 109.08 2x29 n GLY 90 Ca 0.18 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2x29 n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2x29 s PHE 92 N -2.35 -0.32 0.03 1.61 5.36 -1.26 -4.90 117.98 116.15 2x29 s PHE 92 Ca 0.00 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.70 2x29 s PHE 92 Cb 0.00 0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 43.08 2x29 s PHE 92 CO 0.00 -0.19 -0.06 0.00 -1.46 0.00 0.00 175.22 173.51 2x29 s ALA 93 N -0.24 0.36 0.01 11.12 0.00 -0.44 -1.05 121.76 131.53 2x29 s ALA 93 Ca 0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 2x29 s ALA 93 Cb -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2x29 s ALA 93 CO -0.07 -0.07 -0.01 1.14 0.00 0.00 0.00 175.76 176.75 2x29 s GLN 94 N -1.44 0.22 -0.02 0.00 -2.07 -1.26 -0.37 119.66 114.72 2x29 s GLN 94 Ca -0.12 -0.40 0.06 0.00 -1.82 0.00 0.00 55.36 53.09 2x29 s GLN 94 Cb -0.10 0.08 -0.02 0.00 -1.09 0.00 0.00 33.01 31.89 2x29 s GLN 94 CO -0.00 -0.04 -0.21 -0.51 -1.32 0.00 0.00 175.29 173.21 2x29 s LEU 95 N -0.98 2.04 -0.12 2.60 1.43 0.13 -4.64 118.68 119.14 2x29 s LEU 95 Ca -0.11 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2x29 s LEU 95 Cb -0.07 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2x29 s LEU 95 CO -0.01 0.25 0.08 -0.69 0.23 0.00 0.00 176.35 176.21 2x29 s VAL 96 N -0.47 4.95 0.07 -1.59 1.01 -0.32 -1.07 120.40 122.98 2x29 s VAL 96 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2x29 s VAL 96 Cb -0.08 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2x29 s VAL 96 CO -0.01 0.58 1.00 0.00 0.00 0.00 0.00 175.10 176.67 2x29 s ALA 97 N -0.65 3.24 0.29 5.51 0.00 0.26 -1.18 121.76 129.23 2x29 s ALA 97 Ca 0.12 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.74 2x29 s ALA 97 Cb -0.12 -3.33 0.43 0.00 0.00 0.00 0.00 23.12 20.10 2x29 s ALA 97 CO 0.02 -0.16 1.69 0.37 0.00 0.00 0.00 175.76 177.68 2x29 h GLN 98 N 6.14 0.29 -6.95 0.00 5.75 -0.96 -3.40 115.11 115.98 2x29 h GLN 98 Ca -0.42 -0.14 -0.56 0.00 -0.15 0.00 0.00 58.65 57.38 2x29 h GLN 98 Cb 1.21 -0.00 0.14 0.00 1.07 0.00 0.00 27.48 29.90 2x29 h GLN 98 CO 0.74 0.65 0.49 0.09 -2.65 0.00 0.00 178.83 178.15 2x29 n ASN 99 N -4.04 2.33 0.00 -0.69 3.02 -1.26 -4.95 115.26 109.68 2x29 n ASN 99 Ca -0.01 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2x29 n ASN 99 Cb 0.47 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 2x29 n ASN 99 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2x29 n VAL 100 N -0.92 0.00 -2.38 2.41 3.14 -1.26 -4.76 118.33 114.56 2x29 n VAL 100 Ca 0.10 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.07 2x29 n VAL 100 Cb 0.44 -0.58 -0.04 0.00 -1.06 0.00 0.00 33.84 32.60 2x29 n VAL 100 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2x29 s LEU 101 N -4.35 4.48 -1.43 6.55 1.43 -1.26 -0.22 118.68 123.88 2x29 s LEU 101 Ca 0.00 2.28 -0.13 0.00 -1.03 0.00 0.00 54.13 55.25 2x29 s LEU 101 Cb 0.00 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2x29 s LEU 101 CO 0.00 -0.32 2.39 0.18 0.23 0.00 0.00 176.35 178.83 2x29 n LEU 102 N 2.02 7.06 -4.70 1.79 4.32 -1.26 -4.87 117.00 121.36 2x29 n LEU 102 Ca 0.03 -4.05 -0.36 0.00 -0.02 0.00 0.00 56.01 51.60 2x29 n LEU 102 Cb 0.44 -1.57 -0.08 0.00 -1.62 0.00 0.00 43.42 40.60 2x29 n LEU 102 CO 0.56 1.22 -0.10 -0.63 -1.22 0.00 0.00 177.39 177.21 2x29 s ILE 103 N 3.09 5.34 0.26 -0.08 1.01 -1.26 -4.70 121.20 124.86 2x29 s ILE 103 Ca 0.53 0.34 -0.29 0.00 0.00 0.00 0.00 60.65 61.23 2x29 s ILE 103 Cb 0.15 -3.55 -0.15 0.00 0.01 0.00 0.00 42.46 38.92 2x29 s ILE 103 CO -0.06 0.38 1.00 0.47 0.00 0.00 0.00 174.94 176.72 2x29 n ASP 104 N 3.88 1.10 0.00 3.58 10.43 -1.26 -4.69 116.55 129.59 2x29 n ASP 104 Ca -0.14 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.39 2x29 n ASP 104 Cb 0.52 -1.25 0.00 0.00 1.84 0.00 0.00 41.12 42.23 2x29 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2x29 n GLY 105 N 1.45 0.44 3.75 0.44 0.00 -0.72 -4.93 105.19 105.63 2x29 n GLY 105 Ca 0.11 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 2x29 n GLY 105 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x29 s PRO 106 N -0.74 4.24 0.58 1.61 0.02 -1.26 -0.78 135.00 138.67 2x29 s PRO 106 Ca 0.00 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 2x29 s PRO 106 Cb 0.00 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 2x29 s PRO 106 CO 0.00 -0.46 1.02 -0.51 -0.33 0.00 0.00 177.00 176.73 2x29 s LEU 107 N -0.43 3.45 -0.17 -5.54 1.43 0.24 -4.90 118.68 112.78 2x29 s LEU 107 Ca 0.60 1.61 -0.04 0.00 -1.03 0.00 0.00 54.13 55.27 2x29 s LEU 107 Cb -0.43 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.26 2x29 s LEU 107 CO 0.44 -0.90 -0.02 -0.44 0.23 0.00 0.00 176.35 175.66 2x29 s SER 108 N -3.30 4.84 0.07 2.29 0.01 -1.26 -4.28 113.70 112.07 2x29 s SER 108 Ca 0.59 -0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.78 2x29 s SER 108 Cb -0.12 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 2x29 s SER 108 CO 0.40 0.14 -0.15 0.26 0.41 0.00 0.00 173.24 174.30 2x29 s TRP 109 N 0.54 2.62 0.07 2.43 0.52 0.64 -0.24 118.94 125.51 2x29 s TRP 109 Ca -0.02 -0.22 -0.00 0.00 0.02 0.00 0.00 56.10 55.88 2x29 s TRP 109 Cb -0.14 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 2x29 s TRP 109 CO 0.02 0.34 -0.03 1.52 0.02 0.00 0.00 176.95 178.82 2x29 s TYR 110 N -1.05 0.63 -0.07 -1.98 -0.85 -0.32 0.17 117.35 113.88 2x29 s TYR 110 Ca 0.17 -1.05 -0.20 0.00 -0.52 0.00 0.00 57.07 55.47 2x29 s TYR 110 Cb -0.11 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 2x29 s TYR 110 CO 0.08 -0.34 0.58 -1.12 -1.52 0.00 0.00 175.55 173.23 2x29 s SER 111 N -2.96 6.85 -0.30 -0.18 0.01 -1.26 -1.17 113.70 114.70 2x29 s SER 111 Ca 0.09 1.02 -0.07 0.00 1.31 0.00 0.00 55.95 58.31 2x29 s SER 111 Cb 0.07 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.97 2x29 s SER 111 CO -0.08 -0.01 0.08 -0.62 0.41 0.00 0.00 173.24 173.02 2x29 s ASP 112 N 0.45 5.13 0.26 2.44 -1.08 -1.26 -4.21 116.67 118.40 2x29 s ASP 112 Ca 0.31 -0.76 0.22 0.00 -0.52 0.00 0.00 52.55 51.80 2x29 s ASP 112 Cb -0.17 -1.87 1.00 0.00 -1.46 0.00 0.00 42.92 40.42 2x29 s ASP 112 CO 0.15 -0.21 1.68 -2.65 0.52 0.00 0.00 175.17 174.66 2x29 n PRO 113 N 4.86 0.17 0.06 4.34 -0.02 -1.26 -0.93 135.00 142.22 2x29 n PRO 113 Ca -0.14 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2x29 n PRO 113 Cb 0.48 -1.88 0.45 0.00 -0.02 0.00 0.00 33.50 32.53 2x29 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x29 n GLY 114 N -0.36 -1.35 3.91 -1.23 0.00 -1.26 -4.77 105.19 100.12 2x29 n GLY 114 Ca 0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2x29 n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x29 s LEU 115 N -3.79 4.28 0.78 0.99 1.43 -0.10 -5.09 118.68 117.17 2x29 s LEU 115 Ca 0.09 0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 2x29 s LEU 115 Cb 0.12 -2.88 0.05 0.00 0.03 0.00 0.00 46.19 43.51 2x29 s LEU 115 CO 0.44 0.14 1.06 0.00 0.23 0.00 0.00 176.35 178.22 2x29 n ALA 116 N 0.07 -0.24 0.00 4.21 0.00 -1.26 -4.90 120.51 118.39 2x29 n ALA 116 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2x29 n ALA 116 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2x29 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x29 n GLY 117 N 0.83 1.59 3.77 0.00 0.00 -1.26 -4.53 105.19 105.59 2x29 n GLY 117 Ca 0.13 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 2x29 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x29 s VAL 118 N -1.75 3.47 0.49 1.61 1.01 -0.22 -4.95 120.40 120.06 2x29 s VAL 118 Ca 0.00 1.24 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 2x29 s VAL 118 Cb 0.00 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 2x29 s VAL 118 CO 0.00 0.12 0.92 -0.55 0.00 0.00 0.00 175.10 175.58 2x29 s SER 119 N -1.26 6.56 0.53 3.32 0.15 -1.26 -4.48 113.70 117.25 2x29 s SER 119 Ca 0.55 1.41 -0.22 0.00 0.70 0.00 0.00 55.95 58.39 2x29 s SER 119 Cb -0.27 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.54 2x29 s SER 119 CO 0.34 -0.55 1.26 -0.76 1.20 0.00 0.00 173.24 174.74 2x29 s LEU 120 N -4.09 3.87 0.00 3.45 1.43 -1.26 -4.79 118.68 117.29 2x29 s LEU 120 Ca 0.56 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 2x29 s LEU 120 Cb -0.10 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.80 2x29 s LEU 120 CO 0.33 -1.35 0.00 0.41 0.23 0.00 0.00 176.35 175.97 2x29 n THR 121 N -0.95 0.00 -1.19 5.49 -1.04 0.20 -4.90 114.28 111.90 2x29 n THR 121 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2x29 n THR 121 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 2x29 n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2x29 n GLY 122 N 2.76 0.44 0.00 3.41 0.00 -1.26 -1.02 105.19 109.53 2x29 n GLY 122 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2x29 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x29 n GLY 123 N -2.39 0.49 3.73 -0.02 0.00 -1.26 -4.85 105.19 100.89 2x29 n GLY 123 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2x29 n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x29 n LEU 124 N 0.00 4.16 -4.70 0.99 4.77 -1.26 -5.02 117.00 115.94 2x29 n LEU 124 Ca 0.00 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.85 2x29 n LEU 124 Cb 0.00 -1.56 0.16 0.00 -2.33 0.00 0.00 43.42 39.69 2x29 n LEU 124 CO 0.00 0.01 0.65 -0.44 -1.33 0.00 0.00 177.39 176.28 2x29 s SER 125 N 0.33 2.94 -0.33 -1.43 0.01 -1.26 -4.92 113.70 109.04 2x29 s SER 125 Ca 0.63 1.24 -0.42 0.00 1.31 0.00 0.00 55.95 58.71 2x29 s SER 125 Cb -0.52 -1.91 -0.17 0.00 0.21 0.00 0.00 66.02 63.63 2x29 s SER 125 CO 0.51 -2.94 1.73 0.00 0.41 0.00 0.00 173.24 172.95 2x29 n TYR 126 N -4.06 1.99 -1.82 2.43 9.36 -1.26 -1.43 117.16 122.37 2x29 n TYR 126 Ca 0.06 0.67 -0.14 0.00 3.32 0.00 0.00 57.90 61.80 2x29 n TYR 126 Cb 0.57 -2.41 -0.04 0.00 -0.63 0.00 0.00 39.34 36.83 2x29 n TYR 126 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2x29 n LYS 127 N 5.16 -1.63 -2.55 2.98 5.02 -1.26 -4.96 118.16 120.92 2x29 n LYS 127 Ca 0.28 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.93 2x29 n LYS 127 Cb 0.09 -5.17 -0.04 0.00 -0.02 0.00 0.00 35.03 29.88 2x29 n LYS 127 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2x29 s GLU 128 N -3.94 4.60 0.16 1.97 2.12 -0.51 -4.87 118.70 118.23 2x29 s GLU 128 Ca 0.00 1.67 0.01 0.00 0.36 0.00 0.00 54.97 57.02 2x29 s GLU 128 Cb 0.00 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 2x29 s GLU 128 CO 0.00 0.07 0.31 0.16 -0.54 0.00 0.00 175.26 175.26 2x29 s ASP 129 N 0.03 6.36 -0.05 -1.70 3.84 -1.25 -4.54 116.67 119.36 2x29 s ASP 129 Ca 0.50 0.24 -0.11 0.00 -0.00 0.00 0.00 52.55 53.18 2x29 s ASP 129 Cb -0.28 -1.94 0.02 0.00 -1.38 0.00 0.00 42.92 39.34 2x29 s ASP 129 CO 0.33 0.03 0.26 0.28 -0.00 0.00 0.00 175.17 176.08 2x29 s THR 130 N -1.76 0.04 -0.89 2.11 -1.32 0.13 -4.85 115.64 109.11 2x29 s THR 130 Ca 0.36 -0.34 0.26 0.00 -1.21 0.00 0.00 61.69 60.75 2x29 s THR 130 Cb -0.11 -0.50 0.10 0.00 -1.51 0.00 0.00 72.50 70.48 2x29 s THR 130 CO 0.29 -0.19 1.54 0.29 -2.21 0.00 0.00 174.62 174.34 2x29 n LYS 131 N 1.93 0.10 -4.92 7.08 5.02 -1.26 -0.26 118.16 125.84 2x29 n LYS 131 Ca -0.19 0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 55.88 2x29 n LYS 131 Cb 0.57 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 2x29 n LYS 131 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2x29 s GLU 132 N -3.05 1.55 0.01 1.97 2.02 -1.26 -4.45 118.70 115.49 2x29 s GLU 132 Ca 0.10 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.44 2x29 s GLU 132 Cb 0.16 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 2x29 s GLU 132 CO 0.66 0.41 -0.16 -0.51 0.02 0.00 0.00 175.26 175.68 2x29 s LEU 133 N -0.50 2.08 -0.10 1.80 1.43 -0.19 -1.76 118.68 121.44 2x29 s LEU 133 Ca 0.07 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2x29 s LEU 133 Cb -0.08 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2x29 s LEU 133 CO -0.01 0.15 -0.24 -0.69 0.23 0.00 0.00 176.35 175.79 2x29 s VAL 134 N -0.54 2.07 -0.28 -1.59 1.01 -0.07 0.50 120.40 121.51 2x29 s VAL 134 Ca 0.05 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 2x29 s VAL 134 Cb -0.07 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2x29 s VAL 134 CO 0.00 0.56 0.52 -0.69 0.00 0.00 0.00 175.10 175.49 2x29 s VAL 135 N 0.35 5.05 0.05 2.92 1.01 -0.31 -0.70 120.40 128.79 2x29 s VAL 135 Ca -0.19 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 2x29 s VAL 135 Cb -0.18 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.17 2x29 s VAL 135 CO 0.09 0.02 1.25 0.00 0.00 0.00 0.00 175.10 176.46 2x29 h ALA 136 N 8.11 0.22 -3.26 5.51 0.00 -1.57 0.15 119.26 128.42 2x29 h ALA 136 Ca -0.29 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.50 2x29 h ALA 136 Cb 1.14 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2x29 h ALA 136 CO 0.73 0.42 -0.53 0.15 0.00 0.00 0.00 179.25 180.02 2x29 s LYS 137 N -3.72 4.04 0.32 0.00 -0.14 -1.26 -3.23 119.74 115.74 2x29 s LYS 137 Ca -0.12 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 53.90 2x29 s LYS 137 Cb 0.06 -3.29 -0.12 0.00 -1.68 0.00 0.00 37.83 32.80 2x29 s LYS 137 CO 0.84 0.31 1.53 0.00 -0.76 0.00 0.00 175.35 177.27 2x29 n ALA 138 N 3.46 2.32 0.00 5.17 0.00 -1.25 -4.56 120.51 125.65 2x29 n ALA 138 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2x29 n ALA 138 Cb 0.52 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2x29 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x29 n GLY 139 N 1.58 -0.23 3.75 0.00 0.00 0.30 -4.90 105.19 105.69 2x29 n GLY 139 Ca 0.06 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 2x29 n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x29 s VAL 140 N -2.00 5.33 -0.02 1.61 1.01 -1.26 0.00 120.40 125.06 2x29 s VAL 140 Ca 0.00 0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.50 2x29 s VAL 140 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2x29 s VAL 140 CO 0.00 0.43 -0.21 -0.31 0.00 0.00 0.00 175.10 175.02 2x29 s TYR 141 N 0.19 1.92 -0.27 5.22 1.51 -0.01 -1.09 117.35 124.82 2x29 s TYR 141 Ca 0.15 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 2x29 s TYR 141 Cb -0.13 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2x29 s TYR 141 CO 0.03 -0.07 1.05 -0.47 -1.11 0.00 0.00 175.55 174.98 2x29 s TYR 142 N -0.38 3.25 -0.11 2.71 5.04 0.52 -0.08 117.35 128.31 2x29 s TYR 142 Ca 0.05 1.33 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 2x29 s TYR 142 Cb -0.09 -3.45 -0.01 0.00 0.35 0.00 0.00 41.96 38.76 2x29 s TYR 142 CO 0.00 -0.60 -0.18 0.08 -1.34 0.00 0.00 175.55 173.51 2x29 s VAL 143 N 3.38 2.61 0.12 3.14 1.01 -0.30 -0.84 120.40 129.53 2x29 s VAL 143 Ca 0.44 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2x29 s VAL 143 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2x29 s VAL 143 CO 0.10 0.55 -0.10 0.72 0.00 0.00 0.00 175.10 176.37 2x29 s PHE 144 N 0.21 1.13 -0.02 5.22 -0.12 0.39 -0.93 117.98 123.85 2x29 s PHE 144 Ca -0.11 -0.73 0.06 0.00 -0.05 0.00 0.00 56.93 56.10 2x29 s PHE 144 Cb -0.16 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.61 2x29 s PHE 144 CO 0.06 0.02 -0.20 -0.06 -0.05 0.00 0.00 175.22 174.98 2x29 s PHE 145 N -2.93 2.50 0.15 3.49 2.99 0.34 -0.95 117.98 123.57 2x29 s PHE 145 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 56.93 56.74 2x29 s PHE 145 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 43.02 41.47 2x29 s PHE 145 CO -0.00 0.09 0.01 0.94 -0.00 0.00 0.00 175.22 176.25 2x29 n GLN 146 N 2.29 1.41 -3.64 0.44 7.27 -0.04 -1.88 117.38 123.23 2x29 n GLN 146 Ca -0.17 -1.14 -0.08 0.00 0.07 0.00 0.00 57.00 55.68 2x29 n GLN 146 Cb 0.52 0.38 -0.07 0.00 2.41 0.00 0.00 30.24 33.48 2x29 n GLN 146 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2x29 s GLU 148 N -2.55 0.62 0.18 3.69 2.12 -1.24 -2.05 118.70 119.46 2x29 s GLU 148 Ca 0.02 0.90 0.10 0.00 0.36 0.00 0.00 54.97 56.34 2x29 s GLU 148 Cb 0.00 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 2x29 s GLU 148 CO 0.01 -0.10 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.92 2x29 s LEU 149 N 0.96 2.44 -0.02 2.70 1.02 -0.26 -0.93 118.68 124.59 2x29 s LEU 149 Ca -0.04 -0.87 -0.06 0.00 0.02 0.00 0.00 54.13 53.18 2x29 s LEU 149 Cb -0.05 -0.95 0.01 0.00 0.02 0.00 0.00 46.19 45.22 2x29 s LEU 149 CO -0.11 0.02 0.13 0.00 0.02 0.00 0.00 176.35 176.42 2x29 s ARG 150 N -2.77 0.33 -0.41 1.70 1.70 0.48 -1.78 118.95 118.21 2x29 s ARG 150 Ca 0.18 -0.14 -0.28 0.00 -0.47 0.00 0.00 55.73 55.02 2x29 s ARG 150 Cb -0.06 0.14 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 2x29 s ARG 150 CO 0.08 -0.07 1.06 0.50 -1.08 0.00 0.00 175.30 175.79 2x29 s ARG 151 N -0.72 3.83 0.00 3.89 3.52 -0.19 -1.45 118.95 127.83 2x29 s ARG 151 Ca -0.08 0.68 0.21 0.00 -0.13 0.00 0.00 55.73 56.41 2x29 s ARG 151 Cb -0.05 -3.84 -0.24 0.00 -1.56 0.00 0.00 34.95 29.26 2x29 s ARG 151 CO 0.01 -1.15 0.56 1.33 -0.81 0.00 0.00 175.30 175.25 2x29 n VAL 152 N 6.36 0.43 -3.46 7.11 0.24 0.11 -4.77 118.33 124.34 2x29 n VAL 152 Ca 0.11 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.34 61.40 2x29 n VAL 152 Cb 0.48 -0.20 -0.09 0.00 -1.47 0.00 0.00 33.84 32.56 2x29 n VAL 152 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2x29 s VAL 153 N -3.29 5.06 0.19 3.34 1.01 -0.97 -5.05 120.40 120.69 2x29 s VAL 153 Ca -0.06 -0.93 -0.33 0.00 0.00 0.00 0.00 61.98 60.66 2x29 s VAL 153 Cb 0.11 -3.93 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2x29 s VAL 153 CO 0.87 -0.43 1.47 0.00 0.00 0.00 0.00 175.10 177.01 2x29 n ALA 154 N 5.13 1.04 -1.10 5.51 0.00 -1.26 -2.55 120.51 127.28 2x29 n ALA 154 Ca -0.12 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 2x29 n ALA 154 Cb 0.45 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 2x29 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x29 n GLY 155 N 2.75 0.65 3.11 0.00 0.00 -1.26 -5.00 105.19 105.44 2x29 n GLY 155 Ca 0.15 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 2x29 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x29 s GLU 156 N -1.86 0.62 0.00 1.61 2.02 -1.06 -5.12 118.70 114.91 2x29 s GLU 156 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2x29 s GLU 156 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.46 2x29 s GLU 156 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2x29 n GLY 157 N 0.42 0.51 3.78 -1.39 0.00 -1.26 -4.84 105.19 102.42 2x29 n GLY 157 Ca -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 2x29 n GLY 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x29 s SER 158 N -0.72 -0.13 0.00 1.61 1.04 -1.26 -4.03 113.70 110.21 2x29 s SER 158 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2x29 s SER 158 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2x29 s SER 158 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2x29 n GLY 159 N -0.52 0.52 3.12 7.32 0.00 -1.23 -2.91 105.19 111.50 2x29 n GLY 159 Ca -0.06 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 2x29 n GLY 159 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x29 s SER 160 N -4.00 1.16 -0.06 1.61 0.01 -1.26 0.19 113.70 111.34 2x29 s SER 160 Ca 0.00 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.59 2x29 s SER 160 Cb 0.00 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.26 2x29 s SER 160 CO 0.00 -0.25 -0.20 -0.69 0.41 0.00 0.00 173.24 172.51 2x29 s VAL 161 N -2.06 1.65 0.09 3.43 1.01 -0.33 -4.33 120.40 119.86 2x29 s VAL 161 Ca -0.01 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.25 2x29 s VAL 161 Cb -0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2x29 s VAL 161 CO -0.00 0.47 -0.26 -0.44 0.00 0.00 0.00 175.10 174.86 2x29 s SER 162 N 0.12 3.29 0.01 3.32 0.01 -0.23 -0.33 113.70 119.90 2x29 s SER 162 Ca -0.08 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.59 2x29 s SER 162 Cb -0.14 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 2x29 s SER 162 CO 0.04 0.21 -0.23 -0.76 0.41 0.00 0.00 173.24 172.91 2x29 s LEU 163 N -1.72 2.29 -0.08 2.44 1.43 0.56 -0.58 118.68 123.02 2x29 s LEU 163 Ca 0.13 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2x29 s LEU 163 Cb -0.10 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.78 2x29 s LEU 163 CO 0.05 0.29 0.16 0.00 0.23 0.00 0.00 176.35 177.07 2x29 s ALA 164 N -0.77 -0.23 -0.08 4.21 0.00 -0.23 -1.38 121.76 123.29 2x29 s ALA 164 Ca 0.12 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 2x29 s ALA 164 Cb -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2x29 s ALA 164 CO 0.02 -0.41 1.24 -1.17 0.00 0.00 0.00 175.76 175.43 2x29 s LEU 165 N 1.87 4.26 -0.10 0.00 2.96 -0.37 -1.28 118.68 126.02 2x29 s LEU 165 Ca -0.02 1.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 2x29 s LEU 165 Cb -0.12 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 2x29 s LEU 165 CO -0.06 -0.64 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.19 2x29 s HIS 166 N 2.54 2.77 1.03 5.38 3.76 0.13 -2.29 115.29 128.61 2x29 s HIS 166 Ca 0.56 -0.50 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 2x29 s HIS 166 Cb -0.25 -1.77 0.21 0.00 1.11 0.00 0.00 32.58 31.88 2x29 s HIS 166 CO 0.21 -0.09 1.17 -0.51 -0.85 0.00 0.00 174.74 174.67 2x29 s LEU 167 N 0.00 1.70 -0.36 0.89 1.43 -1.26 -1.29 118.68 119.79 2x29 s LEU 167 Ca -0.04 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 53.54 2x29 s LEU 167 Cb -0.14 -2.73 -0.23 0.00 0.03 0.00 0.00 46.19 43.12 2x29 s LEU 167 CO 0.04 -3.18 1.53 -0.81 0.23 0.00 0.00 176.35 174.15 2x29 n PRO 169 N -4.14 0.03 0.00 1.29 -0.04 -1.26 -4.94 135.00 125.93 2x29 n PRO 169 Ca 0.11 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2x29 n PRO 169 Cb 0.59 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2x29 n PRO 169 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x29 n ALA 176 N 11.27 0.00 -1.03 0.55 0.00 -1.26 -5.15 120.51 124.89 2x29 n ALA 176 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 2x29 n ALA 176 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2x29 n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x29 n ALA 177 N 0.00 -1.73 -0.16 0.00 0.00 -1.26 -4.86 120.51 112.50 2x29 n ALA 177 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.77 2x29 n ALA 177 Cb 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.34 2x29 n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x29 h ALA 178 N 2.53 0.58 -2.96 0.00 0.00 -1.86 -3.43 119.26 114.12 2x29 h ALA 178 Ca -0.30 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2x29 h ALA 178 Cb 0.89 0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.51 2x29 h ALA 178 CO 0.52 -0.27 -0.41 -1.17 0.00 0.00 0.00 179.25 177.91 2x29 s LEU 179 N -10.42 0.50 0.01 0.00 2.96 -1.26 -5.01 118.68 105.46 2x29 s LEU 179 Ca -0.13 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2x29 s LEU 179 Cb 0.15 0.95 -0.01 0.00 0.50 0.00 0.00 46.19 47.78 2x29 s LEU 179 CO 0.73 -0.15 -0.00 0.00 -1.32 0.00 0.00 176.35 175.61 2x29 s ALA 180 N 0.86 0.03 -0.03 5.97 0.00 -1.26 -1.23 121.76 126.10 2x29 s ALA 180 Ca -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2x29 s ALA 180 Cb -0.07 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2x29 s ALA 180 CO -0.06 -0.12 0.04 -1.17 0.00 0.00 0.00 175.76 174.45 2x29 s LEU 181 N -1.01 0.67 -0.09 0.00 0.20 -0.48 -4.89 118.68 113.07 2x29 s LEU 181 Ca -0.11 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.77 2x29 s LEU 181 Cb -0.07 -0.14 -0.02 0.00 -0.43 0.00 0.00 46.19 45.54 2x29 s LEU 181 CO -0.00 -0.18 -0.16 -0.89 -0.29 0.00 0.00 176.35 174.82 2x29 s THR 182 N 1.58 2.80 -0.12 3.68 2.01 -1.26 -0.32 115.64 124.01 2x29 s THR 182 Ca -0.02 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.23 2x29 s THR 182 Cb -0.13 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.27 2x29 s THR 182 CO -0.03 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.53 2x29 s VAL 183 N -0.02 2.07 0.18 3.82 1.01 0.55 -4.96 120.40 123.05 2x29 s VAL 183 Ca -0.05 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 2x29 s VAL 183 Cb -0.14 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 2x29 s VAL 183 CO 0.04 0.56 0.87 -1.81 0.00 0.00 0.00 175.10 174.76 2x29 s ASP 184 N 0.53 7.51 -0.26 3.32 1.01 -1.26 -1.19 116.67 126.32 2x29 s ASP 184 Ca -0.14 1.78 -0.07 0.00 0.71 0.00 0.00 52.55 54.83 2x29 s ASP 184 Cb -0.17 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 2x29 s ASP 184 CO 0.05 0.14 0.07 -0.76 0.21 0.00 0.00 175.17 174.88 2x29 s LEU 185 N -0.95 3.53 0.26 1.23 1.43 0.13 -4.89 118.68 119.42 2x29 s LEU 185 Ca 0.40 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 2x29 s LEU 185 Cb -0.24 -1.90 -0.12 0.00 0.03 0.00 0.00 46.19 43.95 2x29 s LEU 185 CO 0.29 -0.08 1.62 -0.81 0.23 0.00 0.00 176.35 177.60 2x29 n PRO 186 N 4.91 2.68 0.00 1.29 -0.04 -1.26 -3.51 135.00 139.06 2x29 n PRO 186 Ca -0.16 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2x29 n PRO 186 Cb 0.50 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 2x29 n PRO 186 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2x29 n PRO 187 N 2.69 0.18 -0.33 0.54 -0.02 -1.26 -4.68 135.00 132.13 2x29 n PRO 187 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2x29 n PRO 187 Cb 0.36 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2x29 n PRO 187 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2x29 n ARG 193 N 0.58 0.00 -0.31 -0.52 1.74 -1.26 -4.77 116.66 112.13 2x29 n ARG 193 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 2x29 n ARG 193 Cb 0.06 -0.17 0.21 0.00 -1.02 0.00 0.00 32.46 31.55 2x29 n ARG 193 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2x29 n ASN 194 N -0.34 3.22 -4.15 0.55 3.02 -1.26 -4.97 115.26 111.33 2x29 n ASN 194 Ca 0.00 -3.08 -0.12 0.00 -0.03 0.00 0.00 54.58 51.36 2x29 n ASN 194 Cb 0.00 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 2x29 n ASN 194 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2x29 s SER 195 N -2.34 1.16 0.03 6.41 0.01 -1.26 -1.03 113.70 116.68 2x29 s SER 195 Ca 0.38 -0.88 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 2x29 s SER 195 Cb 0.32 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.63 2x29 s SER 195 CO 0.06 -0.38 0.29 0.00 0.41 0.00 0.00 173.24 173.62 2x29 s ALA 196 N -2.98 -0.65 -0.10 1.44 0.00 -0.73 -4.89 121.76 113.85 2x29 s ALA 196 Ca 0.07 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 2x29 s ALA 196 Cb 0.01 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.41 2x29 s ALA 196 CO -0.03 -0.37 0.29 0.12 0.00 0.00 0.00 175.76 175.78 2x29 s PHE 197 N -2.24 -0.30 0.10 0.00 5.36 -1.26 -1.10 117.98 118.54 2x29 s PHE 197 Ca -0.07 0.70 -0.14 0.00 -0.96 0.00 0.00 56.93 56.47 2x29 s PHE 197 Cb -0.02 0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 2x29 s PHE 197 CO -0.02 -0.18 0.33 0.20 -1.46 0.00 0.00 175.22 174.09 2x29 s GLY 198 N -0.03 -0.15 -0.03 13.12 0.00 -1.26 -4.96 107.32 114.01 2x29 s GLY 198 Ca -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.46 2x29 s GLY 198 CO 0.01 -0.41 0.15 -0.12 0.00 0.00 0.00 173.10 172.73 2x29 s PHE 199 N -3.53 -0.08 -0.20 1.90 5.36 -1.26 -4.45 117.98 115.71 2x29 s PHE 199 Ca 0.02 0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 2x29 s PHE 199 Cb 0.02 0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.77 2x29 s PHE 199 CO -0.10 -0.17 0.53 -1.14 -1.46 0.00 0.00 175.22 172.88 2x29 s GLN 200 N -0.51 0.58 0.19 10.12 2.00 -0.79 -5.00 119.66 126.25 2x29 s GLN 200 Ca -0.06 0.82 0.02 0.00 -2.00 0.00 0.00 55.36 54.14 2x29 s GLN 200 Cb -0.04 0.21 -0.05 0.00 0.80 0.00 0.00 33.01 33.93 2x29 s GLN 200 CO 0.01 -0.10 0.01 0.20 -0.50 0.00 0.00 175.29 174.90 2x29 s GLY 201 N 0.71 1.30 0.07 2.59 0.00 -1.26 -0.51 107.32 110.23 2x29 s GLY 201 Ca -0.03 -1.63 -0.26 0.00 0.00 0.00 0.00 44.72 42.79 2x29 s GLY 201 CO -0.05 -1.55 0.82 1.09 0.00 0.00 0.00 173.10 173.41 2x29 s ARG 202 N -3.92 1.03 0.01 2.90 1.70 -0.11 -4.96 118.95 115.60 2x29 s ARG 202 Ca 0.25 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 54.79 2x29 s ARG 202 Cb 0.06 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2x29 s ARG 202 CO 0.05 -0.46 1.16 -0.51 -1.08 0.00 0.00 175.30 174.46 2x29 s LEU 203 N -2.63 4.33 -0.02 -1.89 1.43 -1.26 -1.14 118.68 117.49 2x29 s LEU 203 Ca 0.05 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 2x29 s LEU 203 Cb -0.01 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 2x29 s LEU 203 CO -0.08 -0.47 -0.17 -0.76 0.23 0.00 0.00 176.35 175.10 2x29 s LEU 204 N 1.48 1.99 -0.21 1.79 1.43 0.89 -4.95 118.68 121.11 2x29 s LEU 204 Ca 0.56 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 2x29 s LEU 204 Cb -0.26 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 2x29 s LEU 204 CO 0.26 0.19 0.88 -2.28 0.23 0.00 0.00 176.35 175.64 2x29 s HIS 205 N -0.25 3.37 -0.15 0.29 5.65 -1.26 -0.83 115.29 122.10 2x29 s HIS 205 Ca 0.03 1.27 0.01 0.00 0.25 0.00 0.00 55.06 56.62 2x29 s HIS 205 Cb -0.09 -3.09 0.02 0.00 -1.18 0.00 0.00 32.58 28.25 2x29 s HIS 205 CO 0.00 -0.35 -0.17 -0.51 -0.65 0.00 0.00 174.74 173.06 2x29 s LEU 206 N 2.62 1.91 0.68 8.88 1.43 0.10 -4.98 118.68 129.32 2x29 s LEU 206 Ca 0.39 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2x29 s LEU 206 Cb -0.16 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.76 2x29 s LEU 206 CO 0.09 -0.01 1.08 -0.44 0.23 0.00 0.00 176.35 177.31 2x29 s SER 207 N 1.26 5.17 0.19 2.29 0.01 -1.26 -0.54 113.70 120.82 2x29 s SER 207 Ca 0.02 1.82 -0.33 0.00 1.31 0.00 0.00 55.95 58.77 2x29 s SER 207 Cb -0.14 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.44 2x29 s SER 207 CO -0.09 -1.58 1.63 0.00 0.41 0.00 0.00 173.24 173.60 2x29 n ALA 208 N -2.79 1.98 -0.90 1.44 0.00 -1.26 -1.65 120.51 117.32 2x29 n ALA 208 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2x29 n ALA 208 Cb 0.53 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2x29 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x29 n GLY 209 N 3.54 0.63 3.68 0.00 0.00 0.52 -4.92 105.19 108.64 2x29 n GLY 209 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x29 n GLY 209 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x29 s GLN 210 N -0.10 4.21 0.16 1.61 2.00 -0.66 -4.67 119.66 122.20 2x29 s GLN 210 Ca 0.00 2.17 -0.23 0.00 -2.00 0.00 0.00 55.36 55.31 2x29 s GLN 210 Cb 0.00 -3.77 -0.08 0.00 0.80 0.00 0.00 33.01 29.96 2x29 s GLN 210 CO 0.00 -0.75 0.72 0.50 -0.50 0.00 0.00 175.29 175.26 2x29 s ARG 211 N 3.23 4.41 0.01 1.67 3.52 -1.26 -1.16 118.95 129.38 2x29 s ARG 211 Ca 0.71 1.00 0.03 0.00 -0.13 0.00 0.00 55.73 57.33 2x29 s ARG 211 Cb -0.35 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2x29 s ARG 211 CO 0.29 0.54 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.74 2x29 s LEU 212 N -1.34 2.07 0.07 -0.88 1.02 0.18 -4.52 118.68 115.29 2x29 s LEU 212 Ca 0.36 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.29 2x29 s LEU 212 Cb -0.21 -0.37 -0.04 0.00 0.02 0.00 0.00 46.19 45.60 2x29 s LEU 212 CO 0.23 0.03 -0.06 -0.83 0.02 0.00 0.00 176.35 175.75 2x29 s GLY 213 N -0.51 0.62 -0.14 -3.19 0.00 -0.41 -1.03 107.32 102.66 2x29 s GLY 213 Ca 0.01 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2x29 s GLY 213 CO 0.00 -1.22 -0.18 0.14 0.00 0.00 0.00 173.10 171.84 2x29 s VAL 214 N -2.98 1.77 -0.07 1.40 1.01 -1.26 0.21 120.40 120.49 2x29 s VAL 214 Ca 0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2x29 s VAL 214 Cb 0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2x29 s VAL 214 CO -0.04 0.49 0.07 -1.00 0.00 0.00 0.00 175.10 174.63 2x29 s HIS 215 N 1.10 3.35 -0.02 5.22 3.76 -0.40 -0.59 115.29 127.71 2x29 s HIS 215 Ca -0.02 0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 2x29 s HIS 215 Cb -0.14 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 2x29 s HIS 215 CO -0.06 0.58 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.23 2x29 s LEU 216 N -1.21 3.41 -0.02 0.89 0.20 0.04 -1.07 118.68 120.93 2x29 s LEU 216 Ca 0.17 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.98 2x29 s LEU 216 Cb -0.12 -1.91 0.02 0.00 -0.43 0.00 0.00 46.19 43.74 2x29 s LEU 216 CO 0.07 0.30 -0.00 -1.00 -0.29 0.00 0.00 176.35 175.43 2x29 s HIS 217 N -1.01 0.19 0.00 5.38 3.76 0.25 -1.75 115.29 122.11 2x29 s HIS 217 Ca 0.17 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2x29 s HIS 217 Cb -0.11 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.33 2x29 s HIS 217 CO 0.08 -0.07 0.00 -2.37 -0.85 0.00 0.00 174.74 171.53 2x29 n THR 218 N 3.66 0.00 -4.69 1.30 5.66 -1.26 -1.07 114.28 117.88 2x29 n THR 218 Ca -0.21 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.49 2x29 n THR 218 Cb 0.54 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.23 2x29 n THR 218 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2x29 s GLU 219 N -1.43 2.08 0.18 1.09 2.02 -1.26 -4.92 118.70 116.45 2x29 s GLU 219 Ca 0.00 -2.28 -0.14 0.00 0.02 0.00 0.00 54.97 52.57 2x29 s GLU 219 Cb 0.00 -1.45 0.18 0.00 0.10 0.00 0.00 34.13 32.96 2x29 s GLU 219 CO 0.00 -0.28 1.69 0.00 0.02 0.00 0.00 175.26 176.69 2x29 h ALA 220 N 1.54 0.47 -0.91 5.21 0.00 -1.97 -0.25 119.26 123.35 2x29 h ALA 220 Ca -0.43 0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2x29 h ALA 220 Cb 1.29 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 2x29 h ALA 220 CO 0.74 -0.38 0.59 -0.09 0.00 0.00 0.00 179.25 180.12 2x29 h ARG 221 N 0.13 1.10 -0.06 0.00 2.43 -1.97 0.95 114.38 116.96 2x29 h ARG 221 Ca 0.24 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 2x29 h ARG 221 Cb 0.36 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2x29 h ARG 221 CO -0.39 0.73 -0.53 0.00 -1.51 0.00 0.00 179.97 178.27 2x29 h ALA 222 N 1.38 0.14 -0.01 2.80 0.00 -1.29 -3.31 119.26 118.98 2x29 h ALA 222 Ca 0.37 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2x29 h ALA 222 Cb 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2x29 h ALA 222 CO -0.13 0.35 -0.12 -0.09 0.00 0.00 0.00 179.25 179.27 2x29 h ARG 223 N 0.01 0.01 -0.00 0.00 2.43 -0.45 -0.11 114.38 116.27 2x29 h ARG 223 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2x29 h ARG 223 Cb 1.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2x29 h ARG 223 CO 0.11 0.13 -0.19 0.72 -1.51 0.00 0.00 179.97 179.24 2x29 n HIS 224 N -4.39 0.00 0.00 2.20 8.25 0.27 -4.37 115.22 117.18 2x29 n HIS 224 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2x29 n HIS 224 Cb 0.20 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2x29 n HIS 224 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x29 n ALA 225 N -1.11 0.69 -2.53 -1.41 0.00 -0.89 -4.86 120.51 110.40 2x29 n ALA 225 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 2x29 n ALA 225 Cb 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 2x29 n ALA 225 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2x29 s TRP 226 N -0.69 2.47 0.08 0.00 0.52 -0.10 -0.72 118.94 120.49 2x29 s TRP 226 Ca 0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.82 2x29 s TRP 226 Cb 0.00 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 2x29 s TRP 226 CO 0.00 0.63 0.00 -0.65 0.02 0.00 0.00 176.95 176.95 2x29 s GLN 227 N -3.34 0.72 0.07 4.98 -0.21 -0.53 -4.48 119.66 116.87 2x29 s GLN 227 Ca 0.28 -1.28 -0.31 0.00 0.02 0.00 0.00 55.36 54.07 2x29 s GLN 227 Cb -0.06 0.22 -0.07 0.00 1.00 0.00 0.00 33.01 34.10 2x29 s GLN 227 CO 0.16 -0.16 1.32 -0.51 -2.12 0.00 0.00 175.29 173.97 2x29 s LEU 228 N -2.96 4.36 0.31 2.90 1.43 0.69 -0.38 118.68 125.03 2x29 s LEU 228 Ca 0.12 2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 2x29 s LEU 228 Cb 0.08 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 2x29 s LEU 228 CO -0.06 -0.60 1.50 0.41 0.23 0.00 0.00 176.35 177.83 2x29 n THR 229 N 4.07 1.38 -2.20 5.49 -1.04 -0.11 -4.70 114.28 117.17 2x29 n THR 229 Ca 0.11 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 2x29 n THR 229 Cb 0.44 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.09 2x29 n THR 229 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2x29 s GLN 230 N -1.07 4.32 0.00 -2.82 0.74 -1.26 -2.57 119.66 117.01 2x29 s GLN 230 Ca 0.61 2.03 0.00 0.00 0.05 0.00 0.00 55.36 58.05 2x29 s GLN 230 Cb -0.53 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.26 2x29 s GLN 230 CO 0.54 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 2x29 n GLY 231 N 3.50 0.76 0.55 2.59 0.00 -1.26 -4.89 105.19 106.44 2x29 n GLY 231 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2x29 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x29 n ALA 232 N 1.00 2.20 -2.73 4.61 0.00 -1.06 -4.87 120.51 119.66 2x29 n ALA 232 Ca 0.00 -1.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.00 2x29 n ALA 232 Cb 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2x29 n ALA 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2x29 s THR 233 N -0.98 4.98 -0.00 0.00 2.01 -1.26 -3.64 115.64 116.75 2x29 s THR 233 Ca 0.20 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2x29 s THR 233 Cb 0.10 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2x29 s THR 233 CO 0.14 0.22 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.52 2x29 s VAL 234 N 1.70 0.60 -0.23 3.82 1.01 -0.87 -0.57 120.40 125.87 2x29 s VAL 234 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2x29 s VAL 234 Cb -0.16 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2x29 s VAL 234 CO 0.09 0.16 -0.06 -0.22 0.00 0.00 0.00 175.10 175.07 2x29 s LEU 235 N -0.21 2.97 -0.07 3.92 2.96 -0.23 -0.86 118.68 127.16 2x29 s LEU 235 Ca 0.03 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 2x29 s LEU 235 Cb -0.03 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2x29 s LEU 235 CO -0.00 -0.07 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.08 2x29 s GLY 236 N 1.41 1.74 -0.04 7.98 0.00 -0.13 -0.70 107.32 117.58 2x29 s GLY 236 Ca 0.04 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.91 2x29 s GLY 236 CO -0.04 -0.64 -0.10 1.08 0.00 0.00 0.00 173.10 173.40 2x29 s LEU 237 N -0.84 1.67 -0.09 0.66 1.02 0.51 -0.46 118.68 121.14 2x29 s LEU 237 Ca 0.13 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.06 2x29 s LEU 237 Cb -0.11 -0.65 0.02 0.00 0.02 0.00 0.00 46.19 45.47 2x29 s LEU 237 CO 0.02 0.04 -0.08 0.12 0.02 0.00 0.00 176.35 176.46 2x29 s PHE 238 N 0.46 1.40 -0.28 0.29 5.36 -0.02 -1.33 117.98 123.87 2x29 s PHE 238 Ca -0.08 -0.63 -0.27 0.00 -0.96 0.00 0.00 56.93 54.98 2x29 s PHE 238 Cb -0.12 -1.14 0.01 0.00 -0.34 0.00 0.00 43.02 41.43 2x29 s PHE 238 CO 0.02 -0.42 0.96 0.50 -1.46 0.00 0.00 175.22 174.81 2x29 s ARG 239 N 1.38 4.11 -0.06 10.12 3.52 -1.26 -0.36 118.95 136.40 2x29 s ARG 239 Ca -0.01 1.00 -0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2x29 s ARG 239 Cb -0.14 -3.70 -0.26 0.00 -1.56 0.00 0.00 34.95 29.30 2x29 s ARG 239 CO -0.04 -0.72 0.60 0.28 -0.81 0.00 0.00 175.30 174.61 2x29 h VAL 240 N 5.58 0.85 -2.27 7.11 2.07 -1.47 0.25 116.25 128.37 2x29 h VAL 240 Ca -0.21 -2.58 -0.51 0.00 0.82 0.00 0.00 66.70 64.21 2x29 h VAL 240 Cb 1.07 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 33.36 2x29 h VAL 240 CO 0.96 0.76 -0.53 0.42 0.02 0.00 0.00 177.57 179.20 2x29 s THR 241 N -2.59 4.50 0.53 2.57 -4.23 -1.22 -4.73 115.64 110.47 2x29 s THR 241 Ca -0.13 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2x29 s THR 241 Cb 0.07 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.54 2x29 s THR 241 CO 0.81 -0.31 0.74 -2.16 -0.54 0.00 0.00 174.62 173.16 2x29 s PRO 242 N -3.74 2.53 0.84 3.99 0.04 -1.26 -4.39 135.00 133.00 2x29 s PRO 242 Ca 0.33 -1.01 -0.11 0.00 0.04 0.00 0.00 61.00 60.25 2x29 s PRO 242 Cb -0.08 -2.56 0.10 0.00 0.04 0.00 0.00 34.50 31.99 2x29 s PRO 242 CO 0.25 -0.67 1.09 -1.21 0.04 0.00 0.00 177.00 176.51 2x29 s GLU 243 N -4.67 1.71 0.13 4.56 0.41 -1.26 -5.00 118.70 114.57 2x29 s GLU 243 Ca 0.58 1.00 -0.31 0.00 -0.41 0.00 0.00 54.97 55.83 2x29 s GLU 243 Cb -0.09 -1.85 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 2x29 s GLU 243 CO 0.37 -1.98 1.62 0.42 -0.49 0.00 0.00 175.26 175.21 2x29 s ILE 244 N -2.91 2.75 0.31 -1.63 1.01 -1.26 -4.99 121.20 114.48 2x29 s ILE 244 Ca 0.62 0.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.41 2x29 s ILE 244 Cb -0.18 -3.27 -0.13 0.00 0.01 0.00 0.00 42.46 38.89 2x29 s ILE 244 CO 0.57 0.02 1.16 -2.65 0.00 0.00 0.00 174.94 174.03 2x29 n PRO 245 N 4.69 1.74 0.00 2.79 -0.02 -1.26 -5.31 135.00 137.63 2x29 n PRO 245 Ca 0.15 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 2x29 n PRO 245 Cb 0.39 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 31.89 2x29 n PRO 245 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48