#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dva h SER 43 N 0.00 0.00 0.00 4.38 0.02 -2.02 -2.65 113.55 113.28 1dva h SER 43 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1dva h SER 43 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1dva h SER 43 CO 0.00 0.18 -0.05 0.22 -1.14 0.00 0.00 176.83 176.04 1dva h TYR 44 N 0.00 0.00 0.00 3.45 3.20 -2.06 -3.21 116.97 118.36 1dva h TYR 44 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dva h TYR 44 Cb 0.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1dva h TYR 44 CO 0.00 0.39 0.05 -1.13 -1.64 0.00 0.00 178.16 175.83 1dva n SER 45 N -4.71 0.51 0.00 -2.11 3.41 -1.25 -3.53 113.62 105.94 1dva n SER 45 Ca -0.05 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1dva n SER 45 Cb 0.19 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1dva n SER 45 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1dva n ASP 46 N -2.20 0.00 0.00 4.04 2.03 -1.00 -5.02 116.55 114.41 1dva n ASP 46 Ca -0.01 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1dva n ASP 46 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1dva n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dva n GLY 47 N -0.23 -0.82 3.40 0.27 0.00 -1.23 -4.80 105.19 101.78 1dva n GLY 47 Ca 0.00 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 1dva n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dva s ASP 48 N -2.49 6.20 0.41 1.61 2.15 -1.26 -4.91 116.67 118.38 1dva s ASP 48 Ca 0.00 -1.24 0.28 0.00 0.43 0.00 0.00 52.55 52.02 1dva s ASP 48 Cb 0.00 -2.29 1.00 0.00 -0.30 0.00 0.00 42.92 41.33 1dva s ASP 48 CO 0.00 -1.00 1.82 1.56 -0.17 0.00 0.00 175.17 177.37 1dva h GLN 49 N 9.09 0.00 0.00 4.34 7.50 -1.85 -2.95 115.11 131.23 1dva h GLN 49 Ca -0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1dva h GLN 49 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1dva h GLN 49 CO 1.04 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 178.37 1dva h ALA 51 N 3.52 1.11 0.00 0.00 0.00 -1.95 -2.58 119.26 119.35 1dva h ALA 51 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dva h ALA 51 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1dva h ALA 51 CO 0.00 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 1dva n SER 52 N -4.29 0.05 -4.26 0.00 3.41 -1.25 -4.86 113.62 102.41 1dva n SER 52 Ca 0.08 -1.27 -0.34 0.00 -0.26 0.00 0.00 58.87 57.08 1dva n SER 52 Cb 0.16 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.00 1dva n SER 52 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1dva n SER 53 N -0.45 -0.16 0.25 4.04 7.64 -0.97 -4.80 113.62 119.17 1dva n SER 53 Ca 0.00 -1.19 0.18 0.00 1.01 0.00 0.00 58.87 58.87 1dva n SER 53 Cb 0.01 -1.49 0.87 0.00 -1.01 0.00 0.00 64.21 62.59 1dva n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dva h PRO 54 N -1.29 0.00 -6.39 1.43 0.13 -1.89 -3.40 132.00 120.59 1dva h PRO 54 Ca -0.59 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 63.97 1dva h PRO 54 Cb 1.31 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1dva h PRO 54 CO 0.74 0.00 1.05 0.00 -0.23 0.00 0.00 178.00 179.56 1dva n GLN 56 N 7.70 0.16 -1.91 0.00 6.02 -1.16 -4.28 117.38 123.90 1dva n GLN 56 Ca 0.17 -1.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 1dva n GLN 56 Cb 0.47 -0.33 0.00 0.00 1.02 0.00 0.00 30.24 31.40 1dva n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1dva n ASN 57 N -3.04 -0.64 -1.98 1.08 3.02 -1.26 -1.49 115.26 110.95 1dva n ASN 57 Ca 0.07 0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.87 1dva n ASN 57 Cb 0.24 -0.78 0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1dva n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dva n GLY 58 N -0.32 0.12 3.95 7.41 0.00 -1.26 -4.85 105.19 110.24 1dva n GLY 58 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1dva n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dva s GLY 59 N -3.52 1.56 0.21 -0.02 0.00 -0.56 -4.78 107.32 100.21 1dva s GLY 59 Ca 0.01 -1.46 -0.25 0.00 0.00 0.00 0.00 44.72 43.03 1dva s GLY 59 CO 0.29 -1.40 0.80 -0.45 0.00 0.00 0.00 173.10 172.34 1dva s SER 60 N -4.08 7.33 -0.20 1.64 0.15 0.17 -4.81 113.70 113.90 1dva s SER 60 Ca 0.41 1.65 -0.03 0.00 0.70 0.00 0.00 55.95 58.68 1dva s SER 60 Cb -0.09 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1dva s SER 60 CO 0.29 0.13 -0.06 0.00 1.20 0.00 0.00 173.24 174.80 1dva s LYS 62 N 1.19 2.69 0.42 0.00 2.47 0.00 -4.97 119.74 121.54 1dva s LYS 62 Ca 0.02 -1.31 -0.26 0.00 -1.56 0.00 0.00 55.97 52.86 1dva s LYS 62 Cb -0.14 -3.74 -0.09 0.00 -1.46 0.00 0.00 37.83 32.39 1dva s LYS 62 CO -0.02 -0.84 1.43 -3.47 0.16 0.00 0.00 175.35 172.61 1dva n ASP 63 N 4.94 3.38 -1.86 1.43 2.03 -1.26 -1.92 116.55 123.28 1dva n ASP 63 Ca -0.11 1.16 -0.07 0.00 0.52 0.00 0.00 54.79 56.29 1dva n ASP 63 Cb 0.44 -1.60 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 1dva n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dva n GLN 64 N 0.05 0.27 -2.05 -0.67 1.13 -0.56 -4.91 117.38 110.64 1dva n GLN 64 Ca 0.04 -1.23 -0.42 0.00 -1.94 0.00 0.00 57.00 53.46 1dva n GLN 64 Cb 0.40 1.14 -0.03 0.00 0.11 0.00 0.00 30.24 31.87 1dva n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1dva s LEU 65 N 0.00 3.45 -1.10 1.08 1.43 -1.26 -3.37 118.68 118.91 1dva s LEU 65 Ca 0.13 0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 1dva s LEU 65 Cb -0.00 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.02 1dva s LEU 65 CO 0.09 -1.87 0.21 0.00 0.23 0.00 0.00 176.35 175.01 1dva n GLN 66 N 8.60 -2.82 -3.48 1.70 6.02 -1.26 -4.84 117.38 121.29 1dva n GLN 66 Ca 0.21 0.53 0.01 0.00 -0.01 0.00 0.00 57.00 57.75 1dva n GLN 66 Cb 0.48 -5.18 0.01 0.00 1.02 0.00 0.00 30.24 26.58 1dva n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1dva n SER 67 N -2.00 -1.00 -3.75 1.08 3.41 -1.22 -5.14 113.62 105.00 1dva n SER 67 Ca -0.09 -1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 57.14 1dva n SER 67 Cb 0.58 1.57 -0.04 0.00 -0.26 0.00 0.00 64.21 66.05 1dva n SER 67 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1dva s TYR 68 N -2.38 -0.05 -0.02 7.33 -0.85 -1.26 -1.49 117.35 118.62 1dva s TYR 68 Ca 0.22 -0.29 0.04 0.00 -0.52 0.00 0.00 57.07 56.52 1dva s TYR 68 Cb -0.01 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.61 1dva s TYR 68 CO 0.00 -0.83 -0.13 0.42 -1.52 0.00 0.00 175.55 173.49 1dva s ILE 69 N -3.87 1.09 -0.22 -3.49 1.01 -0.81 -4.96 121.20 109.94 1dva s ILE 69 Ca 0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1dva s ILE 69 Cb 0.00 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1dva s ILE 69 CO -0.05 0.32 0.06 0.00 0.00 0.00 0.00 174.94 175.27 1dva s PHE 71 N 1.17 3.33 0.52 0.00 0.40 0.34 -4.91 117.98 118.83 1dva s PHE 71 Ca 0.04 0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.80 1dva s PHE 71 Cb -0.14 -2.35 0.06 0.00 0.51 0.00 0.00 43.02 41.10 1dva s PHE 71 CO 0.03 0.03 0.71 0.00 0.70 0.00 0.00 175.22 176.70 1dva s LEU 73 N -4.55 3.82 0.19 0.00 1.43 -1.26 -4.90 118.68 113.41 1dva s LEU 73 Ca 0.59 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.20 1dva s LEU 73 Cb -0.07 -3.53 0.21 0.00 0.03 0.00 0.00 46.19 42.83 1dva s LEU 73 CO 0.37 -0.45 1.72 1.55 0.23 0.00 0.00 176.35 179.77 1dva h PRO 74 N 0.50 0.28 0.00 1.29 0.13 -2.00 0.17 132.00 132.37 1dva h PRO 74 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1dva h PRO 74 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dva h PRO 74 CO 0.61 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 1dva n ALA 75 N -2.51 1.34 -2.36 -0.56 0.00 -1.26 -4.77 120.51 110.40 1dva n ALA 75 Ca 0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 1dva n ALA 75 Cb 0.25 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1dva n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1dva s PHE 76 N -2.66 1.67 0.16 0.00 0.08 0.60 -1.91 117.98 115.93 1dva s PHE 76 Ca 0.03 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.12 1dva s PHE 76 Cb 0.03 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 1dva s PHE 76 CO 0.06 0.09 0.40 -1.83 -0.10 0.00 0.00 175.22 173.84 1dva s GLU 77 N -3.80 1.20 0.00 0.44 -1.05 -1.09 -4.52 118.70 109.87 1dva s GLU 77 Ca 0.28 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1dva s GLU 77 Cb 0.05 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1dva s GLU 77 CO 0.09 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.24 1dva n GLY 78 N -0.25 3.60 0.36 -3.83 0.00 -1.26 -2.03 105.19 101.76 1dva n GLY 78 Ca -0.11 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1dva n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dva h ARG 79 N 0.00 0.77 -0.74 1.61 2.43 -2.00 -0.31 114.38 116.15 1dva h ARG 79 Ca 0.00 -0.05 -0.54 0.00 -0.81 0.00 0.00 59.98 58.58 1dva h ARG 79 Cb 0.00 -0.17 -0.43 0.00 -0.42 0.00 0.00 29.97 28.95 1dva h ARG 79 CO 0.00 0.51 -0.83 0.09 -1.51 0.00 0.00 179.97 178.23 1dva n ASN 80 N -4.75 4.83 -1.93 -3.80 4.13 -1.26 -4.16 115.26 108.31 1dva n ASN 80 Ca 0.23 -3.70 -0.05 0.00 1.68 0.00 0.00 54.58 52.75 1dva n ASN 80 Cb 0.55 -0.34 -0.01 0.00 -1.54 0.00 0.00 39.78 38.43 1dva n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1dva n GLU 82 N -1.62 0.61 -4.44 0.00 0.00 -0.99 -4.38 120.64 109.83 1dva n GLU 82 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.96 1dva n GLU 82 Cb 0.28 -1.41 -0.10 0.00 0.00 0.00 0.00 31.44 30.20 1dva n GLU 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1dva s THR 83 N -2.00 1.49 -0.18 3.84 2.01 -0.86 -5.04 115.64 114.89 1dva s THR 83 Ca 0.24 -2.07 -0.06 0.00 0.31 0.00 0.00 61.69 60.11 1dva s THR 83 Cb 0.11 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1dva s THR 83 CO 0.18 -0.20 0.02 -1.00 -0.69 0.00 0.00 174.62 172.93 1dva s HIS 84 N -3.10 3.12 -0.79 4.92 3.76 -1.26 -2.69 115.29 119.24 1dva s HIS 84 Ca 0.32 -0.20 -0.28 0.00 -0.15 0.00 0.00 55.06 54.75 1dva s HIS 84 Cb 0.06 -2.06 -0.27 0.00 1.11 0.00 0.00 32.58 31.42 1dva s HIS 84 CO 0.13 -0.04 1.96 0.36 -0.85 0.00 0.00 174.74 176.30 1dva n LYS 85 N 3.83 0.19 -1.59 1.40 -0.00 -0.80 -4.93 118.16 116.25 1dva n LYS 85 Ca -0.17 -1.56 -0.47 0.00 -0.00 0.00 0.00 58.31 56.11 1dva n LYS 85 Cb 0.52 -3.52 -0.05 0.00 -0.00 0.00 0.00 35.03 31.98 1dva n LYS 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1dva n ASP 86 N 16.47 3.08 0.19 -5.58 -0.08 -1.26 -4.82 116.55 124.56 1dva n ASP 86 Ca 0.43 0.59 0.04 0.00 -1.51 0.00 0.00 54.79 54.34 1dva n ASP 86 Cb 0.45 -1.40 0.45 0.00 2.34 0.00 0.00 41.12 42.96 1dva n ASP 86 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1dva h ASP 87 N 11.87 0.06 -0.97 1.67 1.82 -2.01 -2.98 116.42 125.88 1dva h ASP 87 Ca -0.41 -0.01 -0.65 0.00 -0.39 0.00 0.00 57.03 55.57 1dva h ASP 87 Cb 1.27 -0.02 -0.30 0.00 0.68 0.00 0.00 39.33 40.97 1dva h ASP 87 CO 0.97 0.27 0.71 0.00 -1.61 0.00 0.00 179.24 179.58 1dva n GLN 88 N -4.27 2.73 -0.42 0.28 10.64 -1.26 -4.29 117.38 120.79 1dva n GLN 88 Ca -0.02 -3.34 0.08 0.00 -1.83 0.00 0.00 57.00 51.89 1dva n GLN 88 Cb 0.28 -2.28 0.26 0.00 -0.86 0.00 0.00 30.24 27.65 1dva n GLN 88 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1dva n LEU 89 N -0.92 3.89 -4.76 2.61 7.94 -1.13 -4.90 117.00 119.73 1dva n LEU 89 Ca 0.61 -2.46 -0.40 0.00 -1.11 0.00 0.00 56.01 52.65 1dva n LEU 89 Cb 0.76 -0.45 -0.05 0.00 0.53 0.00 0.00 43.42 44.21 1dva n LEU 89 CO 0.75 0.75 0.74 -0.63 -1.11 0.00 0.00 177.39 177.88 1dva s ILE 90 N -1.84 3.70 0.19 1.96 1.01 -1.26 -4.52 121.20 120.43 1dva s ILE 90 Ca 0.39 1.65 -0.08 0.00 0.00 0.00 0.00 60.65 62.62 1dva s ILE 90 Cb 0.26 -4.03 0.28 0.00 0.01 0.00 0.00 42.46 38.98 1dva s ILE 90 CO 0.17 0.35 1.11 0.00 0.00 0.00 0.00 174.94 176.57 1dva h VAL 92 N 0.00 0.19 -3.13 0.00 3.04 -1.94 -1.99 116.25 112.41 1dva h VAL 92 Ca 0.31 0.00 -0.76 0.00 -1.01 0.00 0.00 66.70 65.25 1dva h VAL 92 Cb 0.49 0.77 -0.24 0.00 -2.01 0.00 0.00 31.29 30.30 1dva h VAL 92 CO -0.73 0.00 -0.15 0.21 -1.01 0.00 0.00 177.57 175.89 1dva s ASN 93 N -5.05 6.24 -1.63 3.17 2.47 -0.57 -4.45 114.94 115.12 1dva s ASN 93 Ca -0.04 -1.83 0.00 0.00 0.42 0.00 0.00 52.86 51.41 1dva s ASN 93 Cb 0.12 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 1dva s ASN 93 CO 0.41 -0.86 0.00 -0.62 -3.72 0.00 0.00 177.10 172.31 1dva n GLU 94 N 5.26 -1.15 -3.69 0.43 -0.58 -1.26 -2.29 120.64 117.35 1dva n GLU 94 Ca -0.11 1.00 -0.25 0.00 -0.42 0.00 0.00 57.16 57.38 1dva n GLU 94 Cb 0.41 -5.23 0.06 0.00 -0.57 0.00 0.00 31.44 26.11 1dva n GLU 94 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1dva n ASN 95 N -0.69 -5.29 -1.08 1.62 5.15 -0.76 -1.79 115.26 112.42 1dva n ASN 95 Ca -0.17 -0.64 -0.08 0.00 -0.60 0.00 0.00 54.58 53.10 1dva n ASN 95 Cb 0.55 -4.63 -0.03 0.00 -0.53 0.00 0.00 39.78 35.13 1dva n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dva n GLY 96 N -1.82 0.77 2.39 8.20 0.00 -0.97 0.16 105.19 113.90 1dva n GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1dva n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dva n GLY 97 N -0.08 2.45 3.65 -0.02 0.00 -0.74 -4.97 105.19 105.48 1dva n GLY 97 Ca -0.08 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.43 1dva n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dva h GLU 99 N 6.24 0.68 0.00 0.00 4.81 -1.51 -3.44 114.58 121.36 1dva h GLU 99 Ca -0.47 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 1dva h GLU 99 Cb 1.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1dva h GLU 99 CO 0.87 0.86 0.00 1.04 -0.73 0.00 0.00 179.01 181.06 1dva n GLN 100 N -4.11 0.00 -4.37 1.92 6.02 -1.26 -5.05 117.38 110.53 1dva n GLN 100 Ca -0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1dva n GLN 100 Cb 0.43 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.60 1dva n GLN 100 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1dva s TYR 101 N -0.30 2.49 -0.06 1.08 2.02 -1.19 -5.00 117.35 116.38 1dva s TYR 101 Ca 0.00 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1dva s TYR 101 Cb 0.00 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1dva s TYR 101 CO 0.00 0.61 0.18 0.00 -1.57 0.00 0.00 175.55 174.77 1dva s SER 103 N 0.03 0.39 0.18 0.00 0.01 -0.43 -4.97 113.70 108.91 1dva s SER 103 Ca -0.01 -0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.11 1dva s SER 103 Cb -0.02 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.09 1dva s SER 103 CO 0.00 0.03 0.48 -1.81 0.41 0.00 0.00 173.24 172.35 1dva s ASP 104 N 0.02 6.60 -0.23 2.44 1.01 -1.26 -2.02 116.67 123.23 1dva s ASP 104 Ca 0.00 0.81 -0.03 0.00 0.71 0.00 0.00 52.55 54.04 1dva s ASP 104 Cb -0.02 -2.18 0.08 0.00 1.01 0.00 0.00 42.92 41.80 1dva s ASP 104 CO -0.00 0.01 0.08 -1.00 0.21 0.00 0.00 175.17 174.47 1dva s HIS 105 N -1.70 0.73 -0.45 4.23 3.76 -1.26 -5.00 115.29 115.61 1dva s HIS 105 Ca 0.43 -0.85 -0.42 0.00 -0.15 0.00 0.00 55.06 54.07 1dva s HIS 105 Cb -0.12 -1.01 -0.17 0.00 1.11 0.00 0.00 32.58 32.39 1dva s HIS 105 CO 0.22 -0.68 2.07 -2.37 -0.85 0.00 0.00 174.74 173.13 1dva n THR 106 N 5.13 0.07 -0.61 1.30 5.66 -1.26 0.55 114.28 125.12 1dva n THR 106 Ca -0.07 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1dva n THR 106 Cb 0.46 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1dva n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dva n GLY 107 N 6.71 0.71 3.09 1.09 0.00 -1.26 -5.06 105.19 110.46 1dva n GLY 107 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 1dva n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dva s THR 108 N -2.11 0.03 0.23 2.61 2.01 0.19 -5.12 115.64 113.47 1dva s THR 108 Ca 0.00 -0.21 -0.32 0.00 0.31 0.00 0.00 61.69 61.47 1dva s THR 108 Cb 0.00 -0.33 -0.13 0.00 0.01 0.00 0.00 72.50 72.05 1dva s THR 108 CO 0.00 -0.12 1.48 1.17 -0.69 0.00 0.00 174.62 176.46 1dva n LYS 109 N 2.48 2.16 -1.53 4.92 4.81 -1.26 -4.01 118.16 125.74 1dva n LYS 109 Ca -0.16 0.77 -0.40 0.00 -0.87 0.00 0.00 58.31 57.66 1dva n LYS 109 Cb 0.58 -2.48 0.02 0.00 0.02 0.00 0.00 35.03 33.17 1dva n LYS 109 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1dva n ARG 110 N 2.44 0.83 -4.30 1.64 -4.01 -1.26 -4.80 116.66 107.20 1dva n ARG 110 Ca 0.13 0.31 -0.30 0.00 -1.04 0.00 0.00 57.85 56.95 1dva n ARG 110 Cb 0.31 -1.82 -0.11 0.00 -3.04 0.00 0.00 32.46 27.81 1dva n ARG 110 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 1dva s SER 111 N -1.00 4.06 0.15 2.89 1.04 -0.86 -4.97 113.70 115.02 1dva s SER 111 Ca 0.67 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1dva s SER 111 Cb -0.51 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 1dva s SER 111 CO 0.55 0.18 0.23 0.00 0.98 0.00 0.00 173.24 175.18 1dva n ARG 113 N -0.42 0.76 -4.30 0.00 1.74 -0.37 -4.96 116.66 109.10 1dva n ARG 113 Ca -0.07 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 1dva n ARG 113 Cb 0.54 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.90 1dva n ARG 113 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dva s HIS 115 N -3.52 3.23 0.66 0.00 2.46 -1.26 -4.91 115.29 111.94 1dva s HIS 115 Ca 0.39 -0.04 -0.18 0.00 0.47 0.00 0.00 55.06 55.70 1dva s HIS 115 Cb 0.03 -1.50 -0.15 0.00 -0.13 0.00 0.00 32.58 30.84 1dva s HIS 115 CO 0.24 0.51 -0.31 0.39 -2.47 0.00 0.00 174.74 173.10 1dva n GLU 116 N -0.89 0.01 -1.25 2.88 4.71 -1.26 -0.94 120.64 123.89 1dva n GLU 116 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 56.99 1dva n GLU 116 Cb 0.56 -1.02 -0.04 0.00 -1.01 0.00 0.00 31.44 29.94 1dva n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dva n GLY 117 N 2.78 0.83 3.11 0.62 0.00 -1.26 -4.80 105.19 106.47 1dva n GLY 117 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 1dva n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dva s TYR 118 N -1.75 0.92 0.01 1.61 2.02 -0.12 0.18 117.35 120.22 1dva s TYR 118 Ca 0.00 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1dva s TYR 118 Cb 0.00 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 1dva s TYR 118 CO 0.00 -0.02 -0.03 -1.54 -1.57 0.00 0.00 175.55 172.39 1dva s SER 119 N -1.59 0.33 0.10 2.29 1.04 0.31 -4.54 113.70 111.64 1dva s SER 119 Ca -0.06 -0.22 -0.36 0.00 0.48 0.00 0.00 55.95 55.79 1dva s SER 119 Cb -0.10 0.01 -0.15 0.00 0.10 0.00 0.00 66.02 65.88 1dva s SER 119 CO 0.01 -0.09 1.46 0.18 0.98 0.00 0.00 173.24 175.79 1dva n LEU 120 N 2.46 2.29 -4.97 2.42 4.77 -1.26 -1.64 117.00 121.07 1dva n LEU 120 Ca -0.17 1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 56.66 1dva n LEU 120 Cb 0.58 -1.29 0.13 0.00 -2.33 0.00 0.00 43.42 40.51 1dva n LEU 120 CO 0.24 -0.70 0.65 -0.22 -1.33 0.00 0.00 177.39 176.03 1dva s LEU 121 N 0.83 2.89 0.00 2.23 2.96 0.24 -4.82 118.68 123.01 1dva s LEU 121 Ca 0.83 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1dva s LEU 121 Cb -0.84 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 43.75 1dva s LEU 121 CO 0.44 -2.13 0.51 0.00 -1.32 0.00 0.00 176.35 173.85 1dva n ALA 122 N -3.13 -0.00 0.06 5.97 0.00 -1.26 -1.71 120.51 120.45 1dva n ALA 122 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.65 1dva n ALA 122 Cb 0.60 0.22 0.09 0.00 0.00 0.00 0.00 19.45 20.36 1dva n ALA 122 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dva n ASP 123 N -0.98 0.00 -0.09 0.00 3.85 -1.26 -4.62 116.55 113.45 1dva n ASP 123 Ca 0.00 0.32 -0.01 0.00 -0.71 0.00 0.00 54.79 54.39 1dva n ASP 123 Cb 0.00 -0.05 -0.00 0.00 -1.35 0.00 0.00 41.12 39.71 1dva n ASP 123 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1dva n GLY 124 N -1.12 0.50 0.00 6.12 0.00 -0.69 -4.78 105.19 105.22 1dva n GLY 124 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1dva n GLY 124 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dva n VAL 125 N -2.91 0.00 -3.84 1.61 0.24 -1.26 -4.20 118.33 107.98 1dva n VAL 125 Ca -0.01 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.34 62.02 1dva n VAL 125 Cb 0.07 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.75 1dva n VAL 125 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1dva s SER 126 N -0.43 6.34 -0.09 -1.34 0.01 -1.26 -1.37 113.70 115.54 1dva s SER 126 Ca 0.00 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1dva s SER 126 Cb 0.00 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.33 1dva s SER 126 CO 0.00 -0.05 -0.08 0.00 0.41 0.00 0.00 173.24 173.52 1dva s THR 128 N 1.44 3.91 0.28 0.00 -1.32 -0.65 -4.87 115.64 114.43 1dva s THR 128 Ca -0.00 -1.11 -0.23 0.00 -1.21 0.00 0.00 61.69 59.13 1dva s THR 128 Cb -0.13 -2.89 -0.09 0.00 -1.51 0.00 0.00 72.50 67.88 1dva s THR 128 CO -0.05 0.06 0.84 -2.16 -2.21 0.00 0.00 174.62 171.10 1dva s PRO 129 N -2.47 4.41 0.04 7.08 0.04 -1.26 0.11 135.00 142.95 1dva s PRO 129 Ca 0.26 1.10 0.22 0.00 0.04 0.00 0.00 61.00 62.62 1dva s PRO 129 Cb -0.11 -2.82 -0.18 0.00 0.04 0.00 0.00 34.50 31.43 1dva s PRO 129 CO 0.18 0.33 0.75 0.25 0.04 0.00 0.00 177.00 178.55 1dva n THR 130 N 0.60 0.17 -3.60 1.26 -2.24 0.48 -4.81 114.28 106.13 1dva n THR 130 Ca 0.00 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1dva n THR 130 Cb 0.51 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1dva n THR 130 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1dva s VAL 131 N -3.38 2.15 -0.33 2.28 -7.23 -1.13 -4.99 120.40 107.77 1dva s VAL 131 Ca -0.03 -1.34 0.22 0.00 -1.81 0.00 0.00 61.98 59.02 1dva s VAL 131 Cb 0.13 -2.49 0.18 0.00 0.56 0.00 0.00 36.38 34.75 1dva s VAL 131 CO 0.86 0.00 1.36 -0.08 -0.31 0.00 0.00 175.10 176.93 1dva h GLU 132 N 0.76 0.00 -2.41 4.82 4.81 -1.93 -3.40 114.58 117.22 1dva h GLU 132 Ca -0.37 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.31 1dva h GLU 132 Cb 1.29 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.29 1dva h GLU 132 CO 0.54 0.06 -0.85 0.71 -0.73 0.00 0.00 179.01 178.74 1dva s TYR 133 N -3.23 0.60 0.67 0.92 2.02 -1.26 -5.10 117.35 111.96 1dva s TYR 133 Ca 0.04 -1.64 -0.10 0.00 -0.37 0.00 0.00 57.07 55.00 1dva s TYR 133 Cb 0.07 -0.81 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 1dva s TYR 133 CO 0.72 -0.86 1.04 -1.25 -1.57 0.00 0.00 175.55 173.64 1dva s PRO 134 N 0.90 2.98 0.42 -1.71 0.04 -1.26 -5.03 135.00 131.34 1dva s PRO 134 Ca 0.21 0.39 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 1dva s PRO 134 Cb -0.16 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1dva s PRO 134 CO -0.04 -0.89 0.97 0.00 0.04 0.00 0.00 177.00 177.08 1dva n GLY 136 N -0.31 0.46 3.17 0.00 0.00 -1.26 -5.02 105.19 102.23 1dva n GLY 136 Ca 0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1dva n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dva s LYS 137 N -0.26 2.46 -0.29 1.61 1.02 -1.25 -5.10 119.74 117.94 1dva s LYS 137 Ca 0.00 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 1dva s LYS 137 Cb 0.00 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1dva s LYS 137 CO 0.00 0.19 0.47 0.42 -0.92 0.00 0.00 175.35 175.52 1dva s ILE 138 N 0.27 5.09 0.21 2.17 1.09 -1.26 -4.87 121.20 123.89 1dva s ILE 138 Ca -0.13 0.66 -0.07 0.00 -1.10 0.00 0.00 60.65 60.01 1dva s ILE 138 Cb -0.16 -3.83 0.08 0.00 -1.06 0.00 0.00 42.46 37.50 1dva s ILE 138 CO 0.06 0.03 1.68 -0.65 -0.10 0.00 0.00 174.94 175.96 1dva h PRO 139 N 8.17 0.99 0.00 2.79 0.11 -1.97 -1.80 132.00 140.28 1dva h PRO 139 Ca -0.29 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1dva h PRO 139 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1dva h PRO 139 CO 0.71 0.97 0.00 0.44 -0.21 0.00 0.00 178.00 179.91 1dva n ILE 140 N -4.19 1.23 -0.12 4.15 -5.35 -1.26 -3.12 119.36 110.70 1dva n ILE 140 Ca 0.03 0.43 -0.26 0.00 -0.27 0.00 0.00 62.75 62.68 1dva n ILE 140 Cb 0.33 -1.35 -0.11 0.00 -1.74 0.00 0.00 39.64 36.77 1dva n ILE 140 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1dva n LEU 141 N -1.87 1.99 0.00 7.28 4.77 -0.72 -5.33 117.00 123.12 1dva n LEU 141 Ca 0.01 0.34 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 1dva n LEU 141 Cb 0.11 -0.89 0.12 0.00 -2.33 0.00 0.00 43.42 40.43 1dva n LEU 141 CO 0.11 0.49 0.36 -0.62 -1.33 0.00 0.00 177.39 176.39