#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvk s ARG 80 N 0.00 3.79 0.36 2.12 0.52 -1.26 -4.75 118.95 119.74 1dvk s ARG 80 Ca 0.00 -1.72 0.17 0.00 -0.52 0.00 0.00 55.73 53.66 1dvk s ARG 80 Cb 0.00 -5.47 0.67 0.00 0.52 0.00 0.00 34.95 30.66 1dvk s ARG 80 CO 0.00 -2.36 1.74 -0.84 0.02 0.00 0.00 175.30 173.86 1dvk h ILE 81 N 5.92 1.01 0.00 1.52 -0.00 -2.01 -2.42 117.51 121.52 1dvk h ILE 81 Ca 0.37 -1.55 -0.02 0.00 -0.00 0.00 0.00 64.86 63.66 1dvk h ILE 81 Cb 0.91 1.91 -0.00 0.00 -0.00 0.00 0.00 36.82 39.64 1dvk h ILE 81 CO 1.44 0.40 -0.12 1.56 -0.00 0.00 0.00 178.15 181.43 1dvk h GLN 82 N 0.00 0.00 0.00 0.16 7.50 -1.88 0.15 115.11 121.04 1dvk h GLN 82 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1dvk h GLN 82 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.41 1dvk h GLN 82 CO 0.05 0.12 -0.16 -1.91 -1.50 0.00 0.00 178.83 175.43 1dvk n GLU 83 N -3.45 0.26 -0.09 1.46 2.13 -0.92 -3.06 120.64 116.96 1dvk n GLU 83 Ca -0.01 0.18 -0.23 0.00 0.66 0.00 0.00 57.16 57.75 1dvk n GLU 83 Cb 0.28 -1.76 -0.12 0.00 0.27 0.00 0.00 31.44 30.11 1dvk n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dvk n ALA 84 N -1.78 0.92 -0.03 4.31 0.00 0.27 -4.05 120.51 120.15 1dvk n ALA 84 Ca 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.86 1dvk n ALA 84 Cb 0.43 -0.42 0.40 0.00 0.00 0.00 0.00 19.45 19.86 1dvk n ALA 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1dvk h ILE 85 N -0.75 1.12 0.00 0.00 3.07 -0.94 -1.76 117.51 118.25 1dvk h ILE 85 Ca -0.45 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.74 1dvk h ILE 85 Cb 1.53 0.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1dvk h ILE 85 CO -0.20 0.11 0.00 0.00 -1.05 0.00 0.00 178.15 177.02 1dvk h ALA 86 N 1.72 1.00 -0.02 0.16 0.00 -1.73 -2.91 119.26 117.48 1dvk h ALA 86 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1dvk h ALA 86 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dvk h ALA 86 CO -0.04 0.00 -0.22 1.04 0.00 0.00 0.00 179.25 180.04 1dvk n GLN 87 N -2.66 1.60 -2.83 0.00 6.02 -0.69 -4.95 117.38 113.87 1dvk n GLN 87 Ca 0.02 -1.22 -0.42 0.00 -0.01 0.00 0.00 57.00 55.37 1dvk n GLN 87 Cb 0.31 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 1dvk n GLN 87 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1dvk s ASP 88 N -1.89 7.04 -0.22 1.08 2.15 -1.00 -4.93 116.67 118.89 1dvk s ASP 88 Ca 0.18 1.28 0.08 0.00 0.43 0.00 0.00 52.55 54.53 1dvk s ASP 88 Cb 0.15 -2.49 0.58 0.00 -0.30 0.00 0.00 42.92 40.87 1dvk s ASP 88 CO 0.37 -0.42 1.51 0.29 -0.17 0.00 0.00 175.17 176.74 1dvk n LYS 89 N 5.20 3.33 -0.06 4.34 4.01 -1.26 -3.94 118.16 129.78 1dvk n LYS 89 Ca 0.06 -2.32 0.09 0.00 -0.51 0.00 0.00 58.31 55.64 1dvk n LYS 89 Cb 0.49 -2.02 0.12 0.00 -0.51 0.00 0.00 35.03 33.11 1dvk n LYS 89 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1dvk n THR 90 N 0.11 0.21 -4.07 -0.18 -1.04 -1.26 -4.92 114.28 103.14 1dvk n THR 90 Ca 0.28 -0.60 -0.35 0.00 -2.04 0.00 0.00 64.05 61.34 1dvk n THR 90 Cb 1.08 1.21 -0.12 0.00 -1.82 0.00 0.00 70.33 70.69 1dvk n THR 90 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1dvk s ILE 91 N -1.46 4.29 0.58 12.58 1.01 -1.25 -5.11 121.20 131.83 1dvk s ILE 91 Ca 0.26 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1dvk s ILE 91 Cb 0.17 -2.94 0.10 0.00 0.01 0.00 0.00 42.46 39.80 1dvk s ILE 91 CO 0.24 0.43 0.80 -1.54 0.00 0.00 0.00 174.94 174.87 1dvk n SER 92 N 3.99 1.66 0.07 3.58 3.41 -1.26 -5.02 113.62 120.04 1dvk n SER 92 Ca -0.17 -2.26 0.12 0.00 -0.26 0.00 0.00 58.87 56.30 1dvk n SER 92 Cb 0.52 -0.46 0.25 0.00 -0.26 0.00 0.00 64.21 64.26 1dvk n SER 92 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1dvk n VAL 93 N -2.36 0.38 -1.91 -3.33 0.24 -1.26 -4.77 118.33 105.32 1dvk n VAL 93 Ca 0.15 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1dvk n VAL 93 Cb 0.54 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 1dvk n VAL 93 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1dvk s ILE 94 N -3.14 2.93 -0.22 1.34 1.01 -1.26 -4.69 121.20 117.18 1dvk s ILE 94 Ca 0.08 0.44 -0.13 0.00 0.00 0.00 0.00 60.65 61.04 1dvk s ILE 94 Cb 0.13 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1dvk s ILE 94 CO 0.68 0.00 0.25 -0.63 0.00 0.00 0.00 174.94 175.25 1dvk s ILE 95 N 2.45 5.30 -0.39 2.92 1.01 -1.26 -5.05 121.20 126.18 1dvk s ILE 95 Ca 0.74 0.40 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 1dvk s ILE 95 Cb -0.41 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1dvk s ILE 95 CO 0.33 0.32 0.59 -0.62 0.00 0.00 0.00 174.94 175.56 1dvk s ASP 96 N 0.96 6.35 0.57 3.58 3.68 -1.26 -4.95 116.67 125.60 1dvk s ASP 96 Ca 0.12 -0.12 0.26 0.00 2.13 0.00 0.00 52.55 54.95 1dvk s ASP 96 Cb -0.14 -2.30 1.58 0.00 -1.45 0.00 0.00 42.92 40.61 1dvk s ASP 96 CO 0.05 -0.63 2.11 1.55 0.13 0.00 0.00 175.17 178.38 1dvk h PRO 97 N 8.62 0.00 0.00 4.34 0.13 -1.98 -1.35 132.00 141.76 1dvk h PRO 97 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1dvk h PRO 97 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1dvk h PRO 97 CO 0.84 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.48 1dvk n SER 98 N -4.00 0.32 0.01 1.44 3.41 -1.26 -2.12 113.62 111.42 1dvk n SER 98 Ca 0.02 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1dvk n SER 98 Cb 0.31 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 1dvk n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dvk n GLN 99 N -1.86 0.23 -0.25 4.33 1.13 -0.51 -4.57 117.38 115.88 1dvk n GLN 99 Ca 0.02 -0.03 0.06 0.00 -1.94 0.00 0.00 57.00 55.11 1dvk n GLN 99 Cb 0.18 -1.55 0.18 0.00 0.11 0.00 0.00 30.24 29.16 1dvk n GLN 99 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1dvk h ILE 100 N 0.00 0.43 -0.54 5.09 2.04 -1.51 -1.25 117.51 121.77 1dvk h ILE 100 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1dvk h ILE 100 Cb 0.68 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1dvk h ILE 100 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1dvk n GLY 101 N -1.38 1.69 3.74 5.37 0.00 -1.26 -4.63 105.19 108.72 1dvk n GLY 101 Ca 0.14 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1dvk n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dvk s SER 102 N -1.11 6.99 0.01 1.61 0.15 -0.47 -4.96 113.70 115.92 1dvk s SER 102 Ca 0.39 2.32 -0.18 0.00 0.70 0.00 0.00 55.95 59.19 1dvk s SER 102 Cb 0.21 -2.61 -0.33 0.00 -1.71 0.00 0.00 66.02 61.58 1dvk s SER 102 CO 0.28 -0.44 0.99 0.71 1.20 0.00 0.00 173.24 175.97 1dvk h THR 103 N 3.72 1.37 -0.08 6.45 1.35 -1.93 -3.19 112.91 120.60 1dvk h THR 103 Ca -0.45 -2.57 -0.09 0.00 -0.55 0.00 0.00 66.41 62.76 1dvk h THR 103 Cb 1.21 3.02 -0.01 0.00 -1.73 0.00 0.00 68.15 70.64 1dvk h THR 103 CO 0.75 0.76 -0.37 -0.08 -0.25 0.00 0.00 175.52 176.33 1dvk h GLU 104 N -0.03 0.16 -0.43 4.72 4.81 -1.97 -3.03 114.58 118.81 1dvk h GLU 104 Ca -0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1dvk h GLU 104 Cb 1.90 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1dvk h GLU 104 CO 0.22 0.52 0.00 0.41 -0.73 0.00 0.00 179.01 179.42 1dvk n GLY 105 N -0.34 1.01 0.14 1.92 0.00 -1.24 -4.46 105.19 102.22 1dvk n GLY 105 Ca -0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1dvk n GLY 105 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dvk h LYS 106 N 2.50 -0.15 -0.97 1.61 3.64 -1.51 -0.68 116.57 121.01 1dvk h LYS 106 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1dvk h LYS 106 Cb 0.58 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1dvk h LYS 106 CO 0.00 -0.10 0.62 -1.35 -2.27 0.00 0.00 179.45 176.34 1dvk h PRO 107 N -0.16 1.07 0.19 1.90 0.11 -1.84 -0.66 132.00 132.60 1dvk h PRO 107 Ca 0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1dvk h PRO 107 Cb 0.21 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1dvk h PRO 107 CO -0.10 0.71 -0.09 1.25 -0.21 0.00 0.00 178.00 179.56 1dvk h LEU 108 N 1.10 -0.21 -1.32 2.35 5.85 -1.78 -2.86 115.31 118.43 1dvk h LEU 108 Ca 0.43 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1dvk h LEU 108 Cb 0.20 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1dvk h LEU 108 CO -0.18 0.18 0.50 0.25 -0.34 0.00 0.00 178.44 178.85 1dvk h LEU 109 N -0.64 0.72 -0.70 2.25 5.85 -0.97 -1.12 115.31 120.70 1dvk h LEU 109 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1dvk h LEU 109 Cb 0.47 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1dvk h LEU 109 CO 0.04 0.47 0.40 -1.28 -0.34 0.00 0.00 178.44 177.73 1dvk h SER 110 N 0.82 0.87 -0.16 1.25 0.87 -1.10 -1.75 113.55 114.36 1dvk h SER 110 Ca 0.33 -0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 1dvk h SER 110 Cb 0.25 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1dvk h SER 110 CO -0.11 0.70 -0.42 -0.03 -0.53 0.00 0.00 176.83 176.43 1dvk h MET 111 N 0.97 0.70 -0.84 2.24 1.85 -1.07 -2.75 114.93 116.03 1dvk h MET 111 Ca 0.25 -0.38 -0.00 0.00 -0.61 0.00 0.00 59.70 58.96 1dvk h MET 111 Cb 0.01 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 1dvk h MET 111 CO -0.04 0.99 0.53 0.87 -0.40 0.00 0.00 176.91 178.85 1dvk h LYS 112 N 0.57 1.13 -0.58 0.39 1.57 -0.86 0.31 116.57 119.11 1dvk h LYS 112 Ca 0.04 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1dvk h LYS 112 Cb 0.96 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1dvk h LYS 112 CO 0.09 0.78 0.01 0.00 -0.57 0.00 0.00 179.45 179.75 1dvk h ASN 114 N 0.91 0.08 -0.79 0.00 -0.73 -1.07 -2.03 115.58 111.96 1dvk h ASN 114 Ca 0.17 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 1dvk h ASN 114 Cb 0.52 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.05 1dvk h ASN 114 CO 0.03 0.19 0.37 -0.07 -0.37 0.00 0.00 177.43 177.57 1dvk h LEU 115 N -0.04 1.04 -0.47 0.34 3.38 -0.75 -2.45 115.31 116.36 1dvk h LEU 115 Ca 0.02 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1dvk h LEU 115 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1dvk h LEU 115 CO -0.00 0.89 -0.20 0.22 0.09 0.00 0.00 178.44 179.44 1dvk h TYR 116 N 1.12 1.12 -0.73 1.13 3.20 -0.98 -2.11 116.97 119.71 1dvk h TYR 116 Ca 0.27 -0.27 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1dvk h TYR 116 Cb 0.14 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1dvk h TYR 116 CO 0.01 1.09 0.28 0.82 -1.64 0.00 0.00 178.16 178.72 1dvk h ILE 117 N 0.83 1.25 -0.79 1.81 2.04 -1.25 -1.04 117.51 120.36 1dvk h ILE 117 Ca 0.11 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1dvk h ILE 117 Cb 0.78 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1dvk h ILE 117 CO 0.06 0.32 0.39 0.45 0.00 0.00 0.00 178.15 179.38 1dvk h HIS 118 N 1.06 1.12 -0.49 1.37 3.86 -1.33 -1.03 115.15 119.70 1dvk h HIS 118 Ca 0.24 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1dvk h HIS 118 Cb 0.23 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1dvk h HIS 118 CO 0.02 0.80 -0.04 1.49 0.86 0.00 0.00 177.93 181.06 1dvk h GLU 119 N 1.12 0.84 -0.16 2.45 4.22 -0.73 0.21 114.58 122.54 1dvk h GLU 119 Ca 0.28 -0.25 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1dvk h GLU 119 Cb 0.09 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dvk h GLU 119 CO -0.04 0.87 -0.06 0.82 -2.18 0.00 0.00 179.01 178.42 1dvk h ILE 120 N 0.78 1.30 0.00 2.32 2.04 -0.71 -2.10 117.51 121.13 1dvk h ILE 120 Ca 0.14 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1dvk h ILE 120 Cb 0.52 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1dvk h ILE 120 CO 0.03 0.32 -0.03 -0.07 0.00 0.00 0.00 178.15 178.39 1dvk h LEU 121 N 0.00 0.00 -0.21 1.44 3.38 -0.99 -1.33 115.31 117.60 1dvk h LEU 121 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1dvk h LEU 121 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1dvk h LEU 121 CO 0.02 0.03 -0.26 -1.28 0.09 0.00 0.00 178.44 177.05 1dvk h SER 122 N 0.00 0.59 0.32 -0.43 0.87 -0.59 -1.15 113.55 113.16 1dvk h SER 122 Ca -0.00 -0.50 -0.13 0.00 -1.23 0.00 0.00 61.79 59.93 1dvk h SER 122 Cb 0.07 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1dvk h SER 122 CO 0.00 0.97 -0.53 0.03 -0.53 0.00 0.00 176.83 176.78 1dvk h ARG 123 N 0.23 0.23 -0.21 2.24 3.08 -0.75 -1.49 114.38 117.70 1dvk h ARG 123 Ca 0.03 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1dvk h ARG 123 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1dvk h ARG 123 CO 0.06 0.70 0.00 2.35 -1.07 0.00 0.00 179.97 182.02 1dvk h TRP 124 N 0.18 0.39 -0.23 3.04 2.91 -1.24 -2.73 115.95 118.28 1dvk h TRP 124 Ca 0.00 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.02 1dvk h TRP 124 Cb 0.99 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 29.47 1dvk h TRP 124 CO 0.02 0.55 -0.19 -0.22 -1.03 0.00 0.00 178.44 177.56 1dvk h LYS 125 N 0.13 -0.18 0.00 2.65 3.11 -0.94 0.38 116.57 121.71 1dvk h LYS 125 Ca 0.06 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1dvk h LYS 125 Cb 0.39 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1dvk h LYS 125 CO 0.01 -0.12 0.14 0.00 -2.81 0.00 0.00 179.45 176.67 1dvk h ALA 126 N 0.92 1.14 0.00 5.00 0.00 -1.11 -1.78 119.26 123.42 1dvk h ALA 126 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1dvk h ALA 126 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 1dvk h ALA 126 CO -0.34 -0.14 -0.62 -1.13 0.00 0.00 0.00 179.25 177.02 1dvk n SER 127 N -2.84 1.22 -0.30 0.00 3.41 -0.32 -4.92 113.62 109.86 1dvk n SER 127 Ca -0.02 -2.72 0.04 0.00 -0.26 0.00 0.00 58.87 55.91 1dvk n SER 127 Cb 0.20 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 63.91 1dvk n SER 127 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1dvk h LEU 128 N 0.65 -0.71 -2.21 1.04 5.85 0.61 0.08 115.31 120.62 1dvk h LEU 128 Ca -0.08 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1dvk h LEU 128 Cb 1.41 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 1dvk h LEU 128 CO 0.04 -0.27 -0.02 1.05 -0.34 0.00 0.00 178.44 178.89 1dvk h GLU 129 N 0.01 0.00 0.00 1.25 4.11 -1.86 -2.69 114.58 115.40 1dvk h GLU 129 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1dvk h GLU 129 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1dvk h GLU 129 CO -0.85 0.02 -0.59 0.00 0.07 0.00 0.00 179.01 177.67 1dvk h ALA 130 N 1.98 0.70 -3.21 1.06 0.00 -1.36 -3.45 119.26 114.98 1dvk h ALA 130 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1dvk h ALA 130 Cb 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.45 1dvk h ALA 130 CO 0.00 0.00 -0.76 -0.47 0.00 0.00 0.00 179.25 178.02 1dvk s TYR 131 N -3.29 1.31 -0.47 0.00 5.04 -1.02 -4.97 117.35 113.95 1dvk s TYR 131 Ca 0.03 -1.25 -0.07 0.00 -2.44 0.00 0.00 57.07 53.33 1dvk s TYR 131 Cb 0.08 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 41.09 1dvk s TYR 131 CO 0.74 -0.74 0.30 0.72 -1.34 0.00 0.00 175.55 175.22 1dvk n HIS 132 N 4.97 -0.81 0.30 4.97 8.25 -1.26 -4.79 115.22 126.83 1dvk n HIS 132 Ca -0.06 0.23 0.17 0.00 -0.26 0.00 0.00 57.72 57.80 1dvk n HIS 132 Cb 0.45 -1.29 0.97 0.00 1.12 0.00 0.00 29.99 31.24 1dvk n HIS 132 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1dvk h PRO 133 N 0.40 0.00 0.00 -0.41 0.13 -1.86 -2.28 132.00 127.97 1dvk h PRO 133 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1dvk h PRO 133 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1dvk h PRO 133 CO 0.20 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.12 1dvk n GLU 134 N -3.68 0.18 -0.00 0.86 -0.00 -1.26 -3.15 120.64 113.59 1dvk n GLU 134 Ca -0.02 0.10 0.06 0.00 -0.00 0.00 0.00 57.16 57.30 1dvk n GLU 134 Cb 0.11 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 29.97 1dvk n GLU 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1dvk n LEU 135 N -1.38 0.39 0.30 -1.84 4.77 -0.86 -4.73 117.00 113.65 1dvk n LEU 135 Ca 0.08 -0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 55.55 1dvk n LEU 135 Cb 0.21 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1dvk n LEU 135 CO 0.18 0.10 0.53 0.15 -1.33 0.00 0.00 177.39 177.01 1dvk h PHE 136 N 0.00 -1.42 -0.61 -1.77 3.57 -1.61 -2.31 116.94 112.79 1dvk h PHE 136 Ca 0.00 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1dvk h PHE 136 Cb 0.40 0.55 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 1dvk h PHE 136 CO 0.00 -0.68 0.17 1.25 -2.23 0.00 0.00 178.31 176.82 1dvk h LEU 137 N -1.03 0.09 -1.25 0.59 5.85 -1.85 -1.09 115.31 116.62 1dvk h LEU 137 Ca -0.07 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1dvk h LEU 137 Cb 0.89 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1dvk h LEU 137 CO -0.06 0.05 0.05 0.44 -0.34 0.00 0.00 178.44 178.59 1dvk h ASP 138 N 0.31 0.53 -0.32 1.25 3.45 -1.85 -1.83 116.42 117.97 1dvk h ASP 138 Ca 0.32 -0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 1dvk h ASP 138 Cb 0.46 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1dvk h ASP 138 CO -0.38 0.56 -0.11 0.74 -1.57 0.00 0.00 179.24 178.48 1dvk h THR 139 N 0.55 1.29 -0.38 0.35 2.02 -0.65 -2.15 112.91 113.93 1dvk h THR 139 Ca 0.12 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1dvk h THR 139 Cb 0.27 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1dvk h THR 139 CO 0.00 0.38 0.23 0.11 0.37 0.00 0.00 175.52 176.61 1dvk h LYS 140 N 0.40 0.52 -0.86 6.66 1.57 -0.98 -1.91 116.57 121.98 1dvk h LYS 140 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1dvk h LYS 140 Cb 0.62 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1dvk h LYS 140 CO 0.04 0.40 0.51 0.87 -0.57 0.00 0.00 179.45 180.70 1dvk h LYS 141 N 0.50 1.17 0.00 3.15 1.57 -1.28 -1.06 116.57 120.62 1dvk h LYS 141 Ca 0.14 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1dvk h LYS 141 Cb 0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1dvk h LYS 141 CO -0.03 0.82 -0.42 0.00 -0.57 0.00 0.00 179.45 179.26 1dvk h ALA 142 N 1.28 1.24 0.00 3.86 0.00 -1.14 -3.08 119.26 121.42 1dvk h ALA 142 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dvk h ALA 142 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1dvk h ALA 142 CO -0.06 0.53 -0.59 -0.07 0.00 0.00 0.00 179.25 179.06 1dvk h LEU 143 N 0.00 0.00 -0.31 0.00 3.38 -0.82 -3.36 115.31 114.20 1dvk h LEU 143 Ca -0.00 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1dvk h LEU 143 Cb 0.77 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1dvk h LEU 143 CO 0.05 0.06 -0.21 0.15 0.09 0.00 0.00 178.44 178.58 1dvk h PHE 144 N 0.00 -0.54 -0.33 1.13 3.57 -1.12 -0.91 116.94 118.75 1dvk h PHE 144 Ca 0.00 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1dvk h PHE 144 Cb 0.84 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1dvk h PHE 144 CO 0.00 -0.29 -0.01 -1.00 -2.23 0.00 0.00 178.31 174.78 1dvk h PRO 145 N -0.18 0.50 -0.12 6.41 0.13 -1.77 -2.25 132.00 134.73 1dvk h PRO 145 Ca 0.16 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1dvk h PRO 145 Cb 0.43 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1dvk h PRO 145 CO -0.42 0.54 0.03 1.25 -0.23 0.00 0.00 178.00 179.17 1dvk h LEU 146 N 0.48 0.18 -0.65 1.56 5.85 -1.63 -2.43 115.31 118.67 1dvk h LEU 146 Ca 0.10 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1dvk h LEU 146 Cb 0.33 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1dvk h LEU 146 CO 0.01 0.36 0.37 -0.07 -0.34 0.00 0.00 178.44 178.77 1dvk h LEU 147 N -0.02 0.55 -0.54 2.25 3.38 -0.99 0.58 115.31 120.53 1dvk h LEU 147 Ca 0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1dvk h LEU 147 Cb 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1dvk h LEU 147 CO 0.00 0.36 0.34 0.25 0.09 0.00 0.00 178.44 179.48 1dvk h LEU 148 N 0.68 0.57 -0.59 1.67 5.85 -1.34 0.62 115.31 122.78 1dvk h LEU 148 Ca 0.29 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1dvk h LEU 148 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1dvk h LEU 148 CO -0.17 0.41 0.32 1.56 -0.34 0.00 0.00 178.44 180.21 1dvk h GLN 149 N 0.69 0.83 -0.86 1.25 4.20 -0.83 -1.44 115.11 118.95 1dvk h GLN 149 Ca 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1dvk h GLN 149 Cb -0.03 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1dvk h GLN 149 CO -0.07 0.64 0.42 -0.07 -0.67 0.00 0.00 178.83 179.08 1dvk h LEU 150 N 0.80 1.11 -1.45 1.46 3.38 -0.38 0.16 115.31 120.38 1dvk h LEU 150 Ca 0.21 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1dvk h LEU 150 Cb 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1dvk h LEU 150 CO -0.03 0.93 -0.23 -0.09 0.09 0.00 0.00 178.44 179.10 1dvk h ARG 151 N 1.22 0.06 -0.32 1.13 2.43 -0.41 -2.80 114.38 115.68 1dvk h ARG 151 Ca 0.30 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1dvk h ARG 151 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1dvk h ARG 151 CO -0.04 0.29 0.00 0.54 -1.51 0.00 0.00 179.97 179.25 1dvk n ARG 152 N -4.24 2.29 -3.66 0.20 1.74 -0.58 -4.77 116.66 107.63 1dvk n ARG 152 Ca -0.02 -2.11 -0.24 0.00 -0.77 0.00 0.00 57.85 54.72 1dvk n ARG 152 Cb 0.30 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.36 1dvk n ARG 152 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dvk n ASN 153 N 1.26 -4.10 -0.49 0.55 5.15 0.39 -4.92 115.26 113.09 1dvk n ASN 153 Ca 0.17 -0.67 0.12 0.00 -0.60 0.00 0.00 54.58 53.60 1dvk n ASN 153 Cb 0.54 -4.58 0.18 0.00 -0.53 0.00 0.00 39.78 35.39 1dvk n ASN 153 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dvk n GLN 154 N -4.61 1.32 -2.67 1.20 6.02 -0.27 -4.96 117.38 113.42 1dvk n GLN 154 Ca -0.10 -0.99 -0.40 0.00 -0.01 0.00 0.00 57.00 55.50 1dvk n GLN 154 Cb 0.60 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.32 1dvk n GLN 154 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dvk s LEU 155 N -2.36 4.59 0.67 1.08 1.43 -1.26 -5.02 118.68 117.81 1dvk s LEU 155 Ca 0.24 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 55.21 1dvk s LEU 155 Cb 0.19 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.76 1dvk s LEU 155 CO 0.49 0.04 1.22 0.00 0.23 0.00 0.00 176.35 178.33 1dvk s ALA 156 N -1.21 2.30 0.15 4.21 0.00 -1.26 -4.77 121.76 121.18 1dvk s ALA 156 Ca 0.43 0.97 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 1dvk s ALA 156 Cb -0.27 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 1dvk s ALA 156 CO 0.34 -1.60 1.58 -1.35 0.00 0.00 0.00 175.76 174.73 1dvk h PRO 157 N 0.21 -0.34 -0.59 0.00 0.11 -2.00 -1.88 132.00 127.52 1dvk h PRO 157 Ca -0.49 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1dvk h PRO 157 Cb 1.30 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.46 1dvk h PRO 157 CO 0.52 -0.23 0.39 -0.44 -0.21 0.00 0.00 178.00 178.03 1dvk h ASP 158 N -0.35 0.56 -0.19 -2.05 3.45 -1.95 -1.31 116.42 114.57 1dvk h ASP 158 Ca 0.13 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.46 1dvk h ASP 158 Cb 0.59 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1dvk h ASP 158 CO -0.54 0.38 -0.34 0.25 -1.57 0.00 0.00 179.24 177.42 1dvk h LEU 159 N 0.64 0.64 -0.72 1.55 5.85 -1.79 -2.39 115.31 119.08 1dvk h LEU 159 Ca 0.24 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1dvk h LEU 159 Cb 0.15 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1dvk h LEU 159 CO -0.07 1.05 0.20 0.25 -0.34 0.00 0.00 178.44 179.54 1dvk h LEU 160 N 0.24 1.07 -0.20 2.25 5.85 -1.05 -1.68 115.31 121.80 1dvk h LEU 160 Ca 0.01 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1dvk h LEU 160 Cb 0.93 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1dvk h LEU 160 CO 0.08 1.01 0.04 0.40 -0.34 0.00 0.00 178.44 179.62 1dvk h ILE 161 N 1.08 0.91 -0.13 4.05 2.04 -1.21 0.98 117.51 125.23 1dvk h ILE 161 Ca 0.23 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1dvk h ILE 161 Cb 0.34 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1dvk h ILE 161 CO -0.00 0.02 0.03 0.28 0.00 0.00 0.00 178.15 178.48 1dvk h SER 162 N 0.12 0.20 -0.17 1.72 0.02 -1.24 -1.49 113.55 112.71 1dvk h SER 162 Ca 0.09 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1dvk h SER 162 Cb 0.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1dvk h SER 162 CO -0.12 0.37 0.11 0.25 -1.14 0.00 0.00 176.83 176.30 1dvk h LEU 163 N 0.01 0.19 -1.00 5.07 5.85 -1.19 -2.12 115.31 122.12 1dvk h LEU 163 Ca 0.04 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1dvk h LEU 163 Cb 0.25 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1dvk h LEU 163 CO 0.00 0.14 0.66 0.00 -0.34 0.00 0.00 178.44 178.90 1dvk h ALA 164 N 1.06 1.34 -0.36 1.25 0.00 -0.75 -1.06 119.26 120.74 1dvk h ALA 164 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dvk h ALA 164 Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1dvk h ALA 164 CO -0.01 0.54 0.22 1.15 0.00 0.00 0.00 179.25 181.15 1dvk h THR 165 N 1.26 1.11 -0.11 0.00 2.02 -0.91 0.35 112.91 116.63 1dvk h THR 165 Ca 0.41 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1dvk h THR 165 Cb 0.03 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1dvk h THR 165 CO -0.13 0.11 0.06 0.58 0.37 0.00 0.00 175.52 176.51 1dvk h VAL 166 N 0.47 1.07 -0.33 3.16 2.07 -0.72 -1.95 116.25 120.02 1dvk h VAL 166 Ca 0.13 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1dvk h VAL 166 Cb -0.02 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1dvk h VAL 166 CO -0.03 0.06 -0.04 -0.07 0.02 0.00 0.00 177.57 177.52 1dvk h LEU 167 N 0.10 0.50 0.09 2.57 4.07 -1.00 -1.25 115.31 120.39 1dvk h LEU 167 Ca 0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1dvk h LEU 167 Cb 0.04 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1dvk h LEU 167 CO -0.01 0.59 -0.04 0.22 -1.08 0.00 0.00 178.44 178.12 1dvk h TYR 168 N 0.50 -0.11 -0.32 1.13 3.20 0.05 -2.41 116.97 119.01 1dvk h TYR 168 Ca 0.10 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1dvk h TYR 168 Cb 0.38 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1dvk h TYR 168 CO 0.01 0.07 -0.07 0.45 -1.64 0.00 0.00 178.16 176.98 1dvk h HIS 169 N -0.28 0.56 -0.02 -3.82 3.86 -1.22 -2.31 115.15 111.92 1dvk h HIS 169 Ca -0.01 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1dvk h HIS 169 Cb 0.24 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1dvk h HIS 169 CO -0.02 0.60 0.01 1.25 0.86 0.00 0.00 177.93 180.63 1dvk h LEU 170 N 0.50 0.03 0.00 2.43 5.85 -1.03 0.74 115.31 123.83 1dvk h LEU 170 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1dvk h LEU 170 Cb 0.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1dvk h LEU 170 CO 0.02 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 1dvk n GLN 171 N -4.53 0.09 -3.63 1.25 6.02 -0.87 -4.36 117.38 111.35 1dvk n GLN 171 Ca -0.03 0.15 -0.40 0.00 -0.01 0.00 0.00 57.00 56.72 1dvk n GLN 171 Cb 0.09 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.75 1dvk n GLN 171 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1dvk s GLN 172 N -2.86 2.52 0.24 -1.09 1.11 0.25 -5.00 119.66 114.84 1dvk s GLN 172 Ca 0.12 -1.51 -0.07 0.00 0.01 0.00 0.00 55.36 53.91 1dvk s GLN 172 Cb 0.13 -3.74 0.42 0.00 -1.01 0.00 0.00 33.01 28.81 1dvk s GLN 172 CO 0.33 -0.97 1.64 -1.35 0.01 0.00 0.00 175.29 174.95 1dvk h PRO 173 N 8.35 0.11 -0.59 2.91 0.11 -1.80 0.16 132.00 141.25 1dvk h PRO 173 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1dvk h PRO 173 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1dvk h PRO 173 CO 0.75 0.07 0.00 1.63 -0.21 0.00 0.00 178.00 180.24 1dvk n LYS 174 N -5.33 1.16 -0.62 1.05 5.02 -1.26 -3.29 118.16 114.90 1dvk n LYS 174 Ca 0.13 -0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.31 1dvk n LYS 174 Cb 0.46 -1.33 0.10 0.00 -0.02 0.00 0.00 35.03 34.23 1dvk n LYS 174 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1dvk n GLU 175 N -0.14 0.76 -0.04 1.97 1.02 0.57 -4.80 120.64 119.99 1dvk n GLU 175 Ca 0.01 -2.24 0.05 0.00 -0.02 0.00 0.00 57.16 54.97 1dvk n GLU 175 Cb 0.19 -0.95 0.42 0.00 -0.02 0.00 0.00 31.44 31.07 1dvk n GLU 175 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1dvk h ILE 176 N 3.51 1.08 -0.03 -3.67 6.09 -1.58 -1.81 117.51 121.11 1dvk h ILE 176 Ca -0.05 -0.20 -0.12 0.00 -1.37 0.00 0.00 64.86 63.12 1dvk h ILE 176 Cb 1.29 0.44 -0.02 0.00 0.47 0.00 0.00 36.82 39.01 1dvk h ILE 176 CO 0.02 0.11 -0.55 0.78 -3.07 0.00 0.00 178.15 175.43 1dvk h ASN 177 N 0.58 0.09 0.83 2.19 2.35 -1.90 -1.97 115.58 117.75 1dvk h ASN 177 Ca 0.19 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1dvk h ASN 177 Cb 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1dvk h ASN 177 CO -0.05 0.63 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.74 1dvk h LEU 178 N 0.06 0.00 -0.12 1.61 3.38 -1.72 -1.47 115.31 117.06 1dvk h LEU 178 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1dvk h LEU 178 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1dvk h LEU 178 CO 0.08 0.55 -0.20 0.00 0.09 0.00 0.00 178.44 178.96 1dvk h ALA 179 N 1.45 0.19 -0.67 1.53 0.00 -1.06 -1.62 119.26 119.08 1dvk h ALA 179 Ca -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1dvk h ALA 179 Cb 1.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1dvk h ALA 179 CO 0.07 0.13 0.27 0.28 0.00 0.00 0.00 179.25 180.00 1dvk h VAL 180 N -0.06 1.24 -0.77 0.00 2.07 -1.29 0.11 116.25 117.55 1dvk h VAL 180 Ca 0.01 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1dvk h VAL 180 Cb 0.77 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1dvk h VAL 180 CO 0.05 0.30 0.47 1.56 0.02 0.00 0.00 177.57 179.97 1dvk h GLN 181 N 0.95 1.04 -0.55 1.57 4.20 -1.25 0.39 115.11 121.45 1dvk h GLN 181 Ca 0.22 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 1dvk h GLN 181 Cb 0.21 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1dvk h GLN 181 CO -0.02 0.73 -0.09 0.77 -0.67 0.00 0.00 178.83 179.55 1dvk h SER 182 N 1.05 1.04 -0.95 1.46 0.02 -0.89 -2.59 113.55 112.69 1dvk h SER 182 Ca 0.28 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1dvk h SER 182 Cb -0.05 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.16 1dvk h SER 182 CO -0.05 1.14 0.63 0.22 -1.14 0.00 0.00 176.83 177.63 1dvk h TYR 183 N 0.92 1.20 -0.87 3.45 3.20 -0.12 -1.94 116.97 122.81 1dvk h TYR 183 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1dvk h TYR 183 Cb 0.66 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1dvk h TYR 183 CO 0.05 0.75 0.44 1.98 -1.64 0.00 0.00 178.16 179.74 1dvk h MET 184 N 1.29 1.23 0.37 1.82 4.05 -0.57 -0.81 114.93 122.32 1dvk h MET 184 Ca 0.35 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 1dvk h MET 184 Cb -0.14 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.43 1dvk h MET 184 CO -0.08 0.92 -0.18 0.87 0.23 0.00 0.00 176.91 178.67 1dvk h LYS 185 N 1.22 -0.48 -0.82 0.39 1.57 -1.12 -1.99 116.57 115.34 1dvk h LYS 185 Ca 0.30 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.27 1dvk h LYS 185 Cb 0.08 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 1dvk h LYS 185 CO -0.04 -0.25 0.37 1.25 -0.57 0.00 0.00 179.45 180.22 1dvk h LEU 186 N -0.64 0.39 -1.26 2.94 5.85 -1.14 0.19 115.31 121.65 1dvk h LEU 186 Ca -0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1dvk h LEU 186 Cb 0.46 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1dvk h LEU 186 CO 0.08 0.14 0.00 0.77 -0.34 0.00 0.00 178.44 179.09 1dvk h SER 187 N 0.51 0.00 0.35 1.25 4.64 -0.98 -2.26 113.55 117.06 1dvk h SER 187 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1dvk h SER 187 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1dvk h SER 187 CO -0.41 0.00 -0.58 -0.38 -0.87 0.00 0.00 176.83 174.59 1dvk n ILE 188 N -2.97 0.00 -0.36 0.95 -0.00 0.53 -4.94 119.36 112.56 1dvk n ILE 188 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1dvk n ILE 188 Cb 0.31 0.45 0.00 0.00 -0.00 0.00 0.00 39.64 40.40 1dvk n ILE 188 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1dvk n GLY 189 N 1.48 0.80 3.75 7.39 0.00 -0.43 -4.99 105.19 113.19 1dvk n GLY 189 Ca 0.06 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1dvk n GLY 189 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dvk s ASN 190 N -2.16 5.35 0.09 1.61 0.01 -0.38 0.10 114.94 119.56 1dvk s ASN 190 Ca 0.00 -0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 51.71 1dvk s ASN 190 Cb 0.00 -1.36 -0.06 0.00 0.41 0.00 0.00 41.25 40.24 1dvk s ASN 190 CO 0.00 0.12 1.23 -0.69 -1.51 0.00 0.00 177.10 176.25 1dvk s VAL 191 N -1.55 3.85 -0.26 1.60 1.01 -1.21 -3.25 120.40 120.59 1dvk s VAL 191 Ca 0.29 1.36 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 1dvk s VAL 191 Cb -0.11 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1dvk s VAL 191 CO 0.21 0.12 0.07 0.00 0.00 0.00 0.00 175.10 175.50 1dvk s ALA 192 N 0.89 3.11 0.07 5.51 0.00 -1.26 -4.85 121.76 125.23 1dvk s ALA 192 Ca 0.59 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1dvk s ALA 192 Cb -0.31 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1dvk s ALA 192 CO 0.30 -0.60 0.03 -1.58 0.00 0.00 0.00 175.76 173.91 1dvk s TRP 193 N 1.58 3.07 0.08 0.00 0.52 -1.26 -3.90 118.94 119.03 1dvk s TRP 193 Ca 0.05 0.03 -0.37 0.00 0.02 0.00 0.00 56.10 55.83 1dvk s TRP 193 Cb -0.16 -1.58 -0.17 0.00 -1.15 0.00 0.00 33.47 30.41 1dvk s TRP 193 CO 0.03 0.49 1.28 -2.30 0.02 0.00 0.00 176.95 176.47 1dvk n PRO 194 N 0.65 0.99 -0.03 4.98 -0.02 -1.26 -4.90 135.00 135.42 1dvk n PRO 194 Ca -0.11 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1dvk n PRO 194 Cb 0.52 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.90 1dvk n PRO 194 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1dvk n ILE 195 N 2.26 1.71 0.06 4.25 5.41 -1.26 -4.41 119.36 127.38 1dvk n ILE 195 Ca 0.18 -0.59 -0.13 0.00 1.00 0.00 0.00 62.75 63.21 1dvk n ILE 195 Cb 0.18 -1.70 -0.08 0.00 -0.71 0.00 0.00 39.64 37.34 1dvk n ILE 195 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1dvk h GLY 196 N 1.09 -0.11 0.00 7.39 0.00 -1.98 -3.54 103.07 105.92 1dvk h GLY 196 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1dvk h GLY 196 CO 0.02 -0.04 0.00 -0.62 0.00 0.00 0.00 176.54 175.90 1dvk n VAL 197 N -5.08 0.00 -0.00 4.60 0.31 -1.26 -5.29 118.33 111.61 1dvk n VAL 197 Ca -0.08 1.11 -0.04 0.00 -0.01 0.00 0.00 64.34 65.32 1dvk n VAL 197 Cb 0.11 -2.02 -0.01 0.00 -0.91 0.00 0.00 33.84 31.01 1dvk n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dvk n ALA 218 N -0.93 2.47 -2.21 3.52 0.00 -1.26 -5.02 120.51 117.07 1dvk n ALA 218 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1dvk n ALA 218 Cb 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 1dvk n ALA 218 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1dvk s ASN 219 N -5.87 0.95 0.14 0.00 -0.87 -1.26 -3.34 114.94 104.69 1dvk s ASN 219 Ca -0.09 -0.97 -0.01 0.00 -1.57 0.00 0.00 52.86 50.23 1dvk s ASN 219 Cb 0.02 0.12 -0.04 0.00 -0.02 0.00 0.00 41.25 41.33 1dvk s ASN 219 CO 0.12 -0.48 0.07 -0.63 -2.57 0.00 0.00 177.10 173.61 1dvk s ILE 220 N -3.51 0.08 -0.03 0.60 1.01 0.28 -4.73 121.20 114.90 1dvk s ILE 220 Ca 0.09 -1.91 0.06 0.00 0.00 0.00 0.00 60.65 58.89 1dvk s ILE 220 Cb 0.05 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1dvk s ILE 220 CO -0.06 -0.38 -0.22 -0.04 0.00 0.00 0.00 174.94 174.24 1dvk s MET 221 N -4.06 2.25 -0.10 2.79 -1.94 -1.26 -4.70 119.30 112.28 1dvk s MET 221 Ca 0.26 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.41 1dvk s MET 221 Cb 0.07 -2.16 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 1dvk s MET 221 CO 0.03 0.58 -0.14 0.42 -0.01 0.00 0.00 175.02 175.91 1dvk s ILE 222 N -0.66 3.01 0.58 2.53 1.01 -1.26 -5.08 121.20 121.34 1dvk s ILE 222 Ca 0.11 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.14 1dvk s ILE 222 Cb -0.10 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.22 1dvk s ILE 222 CO -0.00 0.55 0.73 -0.62 0.00 0.00 0.00 174.94 175.59 1dvk s ASP 223 N -0.06 4.94 -0.00 3.58 2.15 -1.26 -4.94 116.67 121.08 1dvk s ASP 223 Ca -0.03 -0.99 -0.10 0.00 0.43 0.00 0.00 52.55 51.87 1dvk s ASP 223 Cb -0.14 0.43 -0.05 0.00 -0.30 0.00 0.00 42.92 42.86 1dvk s ASP 223 CO 0.04 -1.35 0.77 -0.08 -0.17 0.00 0.00 175.17 174.37 1dvk h GLU 224 N 0.26 -0.33 -0.28 4.34 4.57 -2.00 0.14 114.58 121.27 1dvk h GLU 224 Ca -0.30 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1dvk h GLU 224 Cb 1.29 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 1dvk h GLU 224 CO 0.44 -0.22 0.23 -0.09 -1.18 0.00 0.00 179.01 178.19 1dvk h ARG 225 N -0.50 0.00 -0.26 1.92 2.43 -1.99 0.13 114.38 116.11 1dvk h ARG 225 Ca -0.04 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 1dvk h ARG 225 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1dvk h ARG 225 CO 0.06 0.00 -0.40 1.15 -1.51 0.00 0.00 179.97 179.27 1dvk h THR 226 N 0.00 1.30 -0.08 0.20 2.02 -1.96 -2.60 112.91 111.79 1dvk h THR 226 Ca 0.13 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 1dvk h THR 226 Cb 0.59 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1dvk h THR 226 CO -0.00 0.51 -0.06 -0.09 0.37 0.00 0.00 175.52 176.24 1dvk h ARG 227 N 0.47 0.12 -0.32 6.66 9.65 0.19 -1.89 114.38 129.26 1dvk h ARG 227 Ca 0.02 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1dvk h ARG 227 Cb 0.99 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.54 1dvk h ARG 227 CO 0.09 0.19 0.14 1.25 2.80 0.00 0.00 179.97 184.44 1dvk h LEU 228 N 0.12 0.43 -0.10 3.80 5.85 -0.79 -2.62 115.31 122.00 1dvk h LEU 228 Ca 0.03 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 1dvk h LEU 228 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1dvk h LEU 228 CO 0.01 0.46 -0.59 4.11 -0.34 0.00 0.00 178.44 182.09 1dvk h TRP 229 N 0.37 0.00 -0.18 1.25 5.08 -1.26 -3.16 115.95 118.04 1dvk h TRP 229 Ca 0.11 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.02 1dvk h TRP 229 Cb 0.15 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 1dvk h TRP 229 CO -0.01 0.59 -0.15 0.82 -1.28 0.00 0.00 178.44 178.42 1dvk h ILE 230 N 0.00 1.20 -0.31 0.12 2.04 -1.25 -2.31 117.51 117.01 1dvk h ILE 230 Ca -0.01 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1dvk h ILE 230 Cb 1.41 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1dvk h ILE 230 CO 0.08 0.28 -0.21 0.74 0.00 0.00 0.00 178.15 179.04 1dvk h THR 231 N 0.28 1.30 0.00 -0.27 2.02 -1.44 -3.03 112.91 111.77 1dvk h THR 231 Ca 0.06 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1dvk h THR 231 Cb 0.43 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1dvk h THR 231 CO 0.03 0.43 -0.15 0.28 0.37 0.00 0.00 175.52 176.48 1dvk h SER 232 N 0.44 0.00 -0.55 4.18 0.02 -1.46 -2.63 113.55 113.56 1dvk h SER 232 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1dvk h SER 232 Cb 0.76 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1dvk h SER 232 CO 0.06 0.15 0.29 0.40 -1.14 0.00 0.00 176.83 176.59 1dvk h ILE 233 N 0.00 1.18 -0.19 3.27 1.08 -1.29 -0.78 117.51 120.78 1dvk h ILE 233 Ca -0.00 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 63.95 1dvk h ILE 233 Cb 0.46 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1dvk h ILE 233 CO 0.02 0.21 0.00 0.50 -0.69 0.00 0.00 178.15 178.19 1dvk h LYS 234 N 0.80 0.27 -0.16 2.37 3.64 -1.55 -1.20 116.57 120.74 1dvk h LYS 234 Ca 0.20 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1dvk h LYS 234 Cb 0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1dvk h LYS 234 CO -0.03 0.30 -0.33 0.00 -2.27 0.00 0.00 179.45 177.12 1dvk h ARG 235 N 0.27 0.32 -0.33 1.90 3.08 -1.24 -1.27 114.38 117.11 1dvk h ARG 235 Ca 0.06 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1dvk h ARG 235 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1dvk h ARG 235 CO 0.00 0.62 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.16 1dvk h LEU 236 N 0.28 0.70 -0.17 3.04 3.38 -0.93 -1.33 115.31 120.28 1dvk h LEU 236 Ca 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1dvk h LEU 236 Cb 0.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1dvk h LEU 236 CO 0.05 0.95 -0.02 0.40 0.09 0.00 0.00 178.44 179.92 1dvk h ILE 237 N 0.59 1.27 -0.48 1.22 2.04 -0.93 -1.50 117.51 119.71 1dvk h ILE 237 Ca 0.07 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 1dvk h ILE 237 Cb 0.79 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1dvk h ILE 237 CO 0.06 0.27 0.03 0.71 0.00 0.00 0.00 178.15 179.23 1dvk h THR 238 N 0.04 1.23 -0.04 -0.27 1.35 -1.15 -1.93 112.91 112.14 1dvk h THR 238 Ca 0.05 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1dvk h THR 238 Cb 0.42 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1dvk h THR 238 CO 0.01 0.34 0.01 0.15 -0.25 0.00 0.00 175.52 175.78 1dvk h PHE 239 N 0.73 0.07 -0.58 4.73 3.57 -1.15 -2.43 116.94 121.89 1dvk h PHE 239 Ca 0.15 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1dvk h PHE 239 Cb 0.41 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1dvk h PHE 239 CO 0.02 0.25 0.23 1.49 -2.23 0.00 0.00 178.31 178.07 1dvk h GLU 240 N -0.13 0.41 -0.83 1.11 4.57 -1.01 0.34 114.58 119.03 1dvk h GLU 240 Ca 0.01 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1dvk h GLU 240 Cb 0.22 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1dvk h GLU 240 CO -0.00 0.27 0.53 1.49 -1.18 0.00 0.00 179.01 180.12 1dvk h GLU 241 N 0.42 1.02 -0.31 1.92 4.81 -1.30 -0.82 114.58 120.31 1dvk h GLU 241 Ca 0.28 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1dvk h GLU 241 Cb 0.32 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1dvk h GLU 241 CO -0.27 0.67 -0.15 2.35 -0.73 0.00 0.00 179.01 180.88 1dvk h TRP 242 N 1.05 0.76 0.58 0.92 7.01 -0.73 -2.61 115.95 122.92 1dvk h TRP 242 Ca 0.33 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1dvk h TRP 242 Cb -0.01 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1dvk h TRP 242 CO -0.02 0.88 -0.29 -0.92 -2.79 0.00 0.00 178.44 175.29 1dvk h TYR 243 N 0.42 -0.76 0.00 2.65 3.20 0.08 0.54 116.97 123.10 1dvk h TYR 243 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1dvk h TYR 243 Cb 0.68 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1dvk h TYR 243 CO 0.06 -0.47 0.00 1.79 -1.64 0.00 0.00 178.16 177.91 1dvk h THR 244 N -0.80 0.00 0.00 1.81 1.35 -1.24 -2.51 112.91 111.52 1dvk h THR 244 Ca -0.08 -0.24 -0.21 0.00 -0.55 0.00 0.00 66.41 65.34 1dvk h THR 244 Cb 0.62 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1dvk h THR 244 CO 0.12 0.00 -1.38 0.28 -0.25 0.00 0.00 175.52 174.29 1dvk h SER 245 N 0.00 0.00 -2.61 5.36 0.02 -1.06 -3.41 113.55 111.85 1dvk h SER 245 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1dvk h SER 245 Cb 0.25 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.43 1dvk h SER 245 CO 0.00 0.75 -0.03 0.59 -1.14 0.00 0.00 176.83 177.00 1dvk n ASN 246 N -3.02 4.77 0.00 3.07 4.13 0.15 -5.08 115.26 119.28 1dvk n ASN 246 Ca -0.10 -3.39 0.00 0.00 1.68 0.00 0.00 54.58 52.77 1dvk n ASN 246 Cb 0.91 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1dvk n ASN 246 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95