#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pva h ALA 2 N 0.00 1.24 0.00 0.00 0.00 -1.86 0.13 119.26 118.76 1pva h ALA 2 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pva h ALA 2 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pva h ALA 2 CO 0.00 0.07 -0.14 0.87 0.00 0.00 0.00 179.25 180.04 1pva h LYS 3 N 0.77 0.00 0.19 0.00 6.56 -1.87 0.48 116.57 122.71 1pva h LYS 3 Ca 0.43 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.70 1pva h LYS 3 Cb 0.45 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.13 1pva h LYS 3 CO -0.28 0.14 -1.45 -0.44 -2.06 0.00 0.00 179.45 175.36 1pva h ASP 4 N 0.00 0.64 0.21 0.86 3.32 -1.75 -3.34 116.42 116.37 1pva h ASP 4 Ca -0.00 -0.73 -0.12 0.00 0.02 0.00 0.00 57.03 56.19 1pva h ASP 4 Cb 0.90 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1pva h ASP 4 CO 0.02 1.59 -0.45 -0.07 -1.72 0.00 0.00 179.24 178.61 1pva h LEU 5 N 0.11 0.32 -9.35 1.55 3.38 -0.31 -3.47 115.31 107.55 1pva h LEU 5 Ca -0.23 -0.14 -0.59 0.00 0.09 0.00 0.00 57.88 57.01 1pva h LEU 5 Cb 2.09 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 42.63 1pva h LEU 5 CO 0.23 0.73 -0.71 -0.76 0.09 0.00 0.00 178.44 178.02 1pva s LEU 6 N -8.24 2.84 0.16 1.67 1.43 0.12 -5.08 118.68 111.57 1pva s LEU 6 Ca -0.05 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 51.88 1pva s LEU 6 Cb 0.13 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 1pva s LEU 6 CO 0.79 0.03 1.22 -0.54 0.23 0.00 0.00 176.35 178.07 1pva s LYS 7 N -3.56 4.46 0.27 1.70 1.02 -1.26 -4.80 119.74 117.57 1pva s LYS 7 Ca 0.30 1.88 0.00 0.00 0.02 0.00 0.00 55.97 58.17 1pva s LYS 7 Cb -0.06 -3.26 0.52 0.00 -0.52 0.00 0.00 37.83 34.51 1pva s LYS 7 CO 0.17 -0.15 1.83 0.00 -0.92 0.00 0.00 175.35 176.28 1pva h ALA 8 N 5.65 1.45 -0.00 5.17 0.00 -1.98 -0.81 119.26 128.73 1pva h ALA 8 Ca -0.44 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1pva h ALA 8 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1pva h ALA 8 CO 0.77 0.22 -0.78 0.38 0.00 0.00 0.00 179.25 179.83 1pva h ASP 9 N 0.97 0.09 -0.45 0.00 2.03 -1.99 -1.62 116.42 115.45 1pva h ASP 9 Ca 0.48 -0.07 -0.04 0.00 -0.73 0.00 0.00 57.03 56.66 1pva h ASP 9 Cb 0.45 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 1pva h ASP 9 CO -0.26 0.83 0.12 0.44 -1.03 0.00 0.00 179.24 179.34 1pva h ASP 10 N 0.05 0.67 -0.68 4.15 3.32 -1.66 -1.45 116.42 120.81 1pva h ASP 10 Ca -0.02 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1pva h ASP 10 Cb 1.37 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1pva h ASP 10 CO 0.11 0.71 0.23 0.40 -1.72 0.00 0.00 179.24 178.98 1pva h ILE 11 N 0.59 1.25 -0.58 0.35 2.04 -0.90 0.69 117.51 120.96 1pva h ILE 11 Ca 0.14 -0.84 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 1pva h ILE 11 Cb 0.30 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1pva h ILE 11 CO -0.00 0.33 -0.03 0.50 0.00 0.00 0.00 178.15 178.95 1pva h LYS 12 N 0.99 1.02 -0.34 2.37 3.64 -1.10 -0.24 116.57 122.91 1pva h LYS 12 Ca 0.22 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1pva h LYS 12 Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1pva h LYS 12 CO -0.01 1.02 0.03 -0.22 -2.27 0.00 0.00 179.45 178.00 1pva h LYS 13 N 0.93 0.58 -0.33 1.90 3.64 -0.81 0.20 116.57 122.69 1pva h LYS 13 Ca 0.16 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pva h LYS 13 Cb 0.58 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1pva h LYS 13 CO 0.03 0.68 0.12 0.00 -2.27 0.00 0.00 179.45 178.01 1pva h ALA 14 N 0.88 0.42 -0.32 5.00 0.00 -0.56 -2.06 119.26 122.63 1pva h ALA 14 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1pva h ALA 14 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1pva h ALA 14 CO 0.01 0.04 -0.17 -0.07 0.00 0.00 0.00 179.25 179.06 1pva h LEU 15 N 0.37 0.57 -0.99 0.00 4.07 -0.86 -2.47 115.31 116.00 1pva h LEU 15 Ca 0.11 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1pva h LEU 15 Cb 0.22 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1pva h LEU 15 CO -0.01 0.76 0.29 0.44 -1.08 0.00 0.00 178.44 178.84 1pva h ASP 16 N 0.52 0.93 0.85 -0.43 3.32 -0.79 -2.43 116.42 118.40 1pva h ASP 16 Ca 0.09 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1pva h ASP 16 Cb 0.59 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1pva h ASP 16 CO 0.04 0.82 -0.21 0.00 -1.72 0.00 0.00 179.24 178.17 1pva h ALA 17 N 1.32 1.05 -0.17 3.45 0.00 -0.91 -2.97 119.26 121.02 1pva h ALA 17 Ca 0.24 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1pva h ALA 17 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1pva h ALA 17 CO -0.02 0.26 -0.12 1.33 0.00 0.00 0.00 179.25 180.69 1pva n VAL 18 N -3.41 2.26 0.04 0.00 0.24 -1.03 -4.72 118.33 111.71 1pva n VAL 18 Ca -0.00 -2.52 -0.11 0.00 -2.04 0.00 0.00 64.34 59.67 1pva n VAL 18 Cb 0.40 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.45 1pva n VAL 18 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pva h LYS 19 N 0.94 -0.16 -6.64 7.34 3.64 -1.28 -3.42 116.57 117.00 1pva h LYS 19 Ca 0.07 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.94 1pva h LYS 19 Cb 1.32 0.04 0.03 0.00 -0.41 0.00 0.00 32.23 33.21 1pva h LYS 19 CO 0.18 -0.10 0.70 0.00 -2.27 0.00 0.00 179.45 177.96 1pva s ALA 20 N -6.16 3.58 0.15 5.00 0.00 -1.26 -4.95 121.76 118.12 1pva s ALA 20 Ca -0.14 1.16 -0.34 0.00 0.00 0.00 0.00 51.96 52.64 1pva s ALA 20 Cb 0.08 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1pva s ALA 20 CO 0.67 -0.61 1.53 0.39 0.00 0.00 0.00 175.76 177.74 1pva n GLU 21 N 3.10 1.98 0.00 0.00 1.02 -1.26 -1.29 120.64 124.19 1pva n GLU 21 Ca 0.08 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1pva n GLU 21 Cb 0.42 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1pva n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pva n GLY 22 N 3.24 1.21 0.14 0.62 0.00 -1.26 -4.94 105.19 104.20 1pva n GLY 22 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1pva n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pva n SER 23 N 0.00 0.75 -4.65 1.61 3.41 -0.41 -4.86 113.62 109.46 1pva n SER 23 Ca 0.00 -0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 57.60 1pva n SER 23 Cb 0.00 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1pva n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1pva s PHE 24 N -2.69 2.29 -0.09 7.33 5.36 -1.26 -4.76 117.98 124.17 1pva s PHE 24 Ca 0.20 0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.77 1pva s PHE 24 Cb 0.19 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1pva s PHE 24 CO 0.58 -2.84 -0.20 1.21 -1.46 0.00 0.00 175.22 172.52 1pva s ASN 25 N 3.26 2.59 0.31 6.13 2.47 -1.26 -4.95 114.94 123.49 1pva s ASN 25 Ca 0.67 -0.46 0.01 0.00 0.42 0.00 0.00 52.86 53.49 1pva s ASN 25 Cb -0.26 -1.19 0.51 0.00 -1.45 0.00 0.00 41.25 38.86 1pva s ASN 25 CO 0.25 0.11 1.89 1.12 -3.72 0.00 0.00 177.10 176.75 1pva h HIS 26 N 6.81 0.78 -0.11 0.43 2.07 -1.96 -0.17 115.15 123.00 1pva h HIS 26 Ca -0.23 -0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.22 1pva h HIS 26 Cb 1.22 -0.24 -0.00 0.00 2.57 0.00 0.00 27.41 30.96 1pva h HIS 26 CO 0.48 0.62 -0.02 -0.22 -3.07 0.00 0.00 177.93 175.72 1pva h LYS 27 N 0.77 0.20 -0.44 5.12 3.64 -1.96 0.33 116.57 124.22 1pva h LYS 27 Ca 0.18 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1pva h LYS 27 Cb 0.18 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1pva h LYS 27 CO -0.01 0.49 0.21 -0.22 -2.27 0.00 0.00 179.45 177.65 1pva h LYS 28 N -0.11 0.64 -0.42 1.90 3.64 -1.95 -2.21 116.57 118.07 1pva h LYS 28 Ca 0.03 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1pva h LYS 28 Cb 0.42 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1pva h LYS 28 CO 0.01 0.55 0.27 0.35 -2.27 0.00 0.00 179.45 178.36 1pva h PHE 29 N 0.58 0.51 -0.40 1.91 3.57 -0.78 -1.04 116.94 121.29 1pva h PHE 29 Ca 0.15 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1pva h PHE 29 Cb 0.12 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1pva h PHE 29 CO -0.01 0.31 -0.06 0.74 -2.23 0.00 0.00 178.31 177.07 1pva h PHE 30 N 0.54 0.72 -0.19 0.41 0.04 -0.79 -0.34 116.94 117.34 1pva h PHE 30 Ca 0.16 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1pva h PHE 30 Cb -0.04 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 1pva h PHE 30 CO -0.05 0.71 -0.12 0.00 -0.60 0.00 0.00 178.31 178.25 1pva h ALA 31 N 1.32 0.27 -0.23 2.45 0.00 -0.98 -0.48 119.26 121.61 1pva h ALA 31 Ca 0.12 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1pva h ALA 31 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pva h ALA 31 CO 0.02 0.13 -0.63 -0.07 0.00 0.00 0.00 179.25 178.70 1pva h LEU 32 N 0.09 0.91 -0.41 0.00 3.38 -0.97 -3.16 115.31 115.16 1pva h LEU 32 Ca 0.04 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1pva h LEU 32 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1pva h LEU 32 CO 0.03 1.32 0.00 1.62 0.09 0.00 0.00 178.44 181.50 1pva h VAL 33 N 0.59 0.00 0.00 1.22 3.04 -1.15 -3.42 116.25 116.54 1pva h VAL 33 Ca -0.01 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1pva h VAL 33 Cb 1.24 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1pva h VAL 33 CO 0.13 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.30 1pva n GLY 34 N 0.76 1.06 0.14 3.17 0.00 -1.02 -4.61 105.19 104.69 1pva n GLY 34 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1pva n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pva h LEU 35 N 0.00 0.00 -0.49 0.99 3.38 -1.35 -3.38 115.31 114.46 1pva h LEU 35 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1pva h LEU 35 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1pva h LEU 35 CO 0.00 0.34 0.13 0.50 0.09 0.00 0.00 178.44 179.50 1pva h LYS 36 N 0.00 0.28 -0.10 1.13 3.64 -1.79 -2.18 116.57 117.55 1pva h LYS 36 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pva h LYS 36 Cb 1.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1pva h LYS 36 CO 0.04 0.18 0.00 0.00 -2.27 0.00 0.00 179.45 177.40 1pva n ALA 37 N -2.47 2.52 -1.80 5.00 0.00 -1.26 -4.78 120.51 117.72 1pva n ALA 37 Ca 0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1pva n ALA 37 Cb 0.22 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1pva n ALA 37 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1pva s MET 38 N -1.88 3.94 0.66 0.00 -1.94 -0.82 -5.01 119.30 114.24 1pva s MET 38 Ca 0.35 1.13 -0.14 0.00 -1.71 0.00 0.00 55.69 55.32 1pva s MET 38 Cb 0.20 -2.13 -0.00 0.00 2.01 0.00 0.00 34.83 34.91 1pva s MET 38 CO 0.31 -0.29 1.09 -1.54 -0.01 0.00 0.00 175.02 174.58 1pva s SER 39 N -2.48 5.21 0.25 3.03 1.04 -1.26 -4.77 113.70 114.71 1pva s SER 39 Ca 0.62 1.91 -0.04 0.00 0.48 0.00 0.00 55.95 58.92 1pva s SER 39 Cb -0.12 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 63.94 1pva s SER 39 CO 0.23 -1.56 1.72 0.00 0.98 0.00 0.00 173.24 174.61 1pva h ALA 40 N -0.08 1.06 -0.96 5.32 0.00 -1.98 0.14 119.26 122.77 1pva h ALA 40 Ca -0.46 0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1pva h ALA 40 Cb 1.24 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1pva h ALA 40 CO 0.55 -0.25 0.61 -0.91 0.00 0.00 0.00 179.25 179.24 1pva h ASN 41 N 0.40 0.94 0.72 0.00 2.35 -2.00 -0.73 115.58 117.27 1pva h ASN 41 Ca 0.43 0.02 -0.26 0.00 -0.55 0.00 0.00 56.30 55.94 1pva h ASN 41 Cb 0.68 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1pva h ASN 41 CO -0.44 0.57 -1.24 0.44 -1.65 0.00 0.00 177.43 175.12 1pva h ASP 42 N 1.06 0.24 -0.49 5.81 3.32 -1.58 -3.22 116.42 121.56 1pva h ASP 42 Ca 0.43 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1pva h ASP 42 Cb 0.26 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1pva h ASP 42 CO -0.20 1.22 0.23 0.58 -1.72 0.00 0.00 179.24 179.35 1pva h VAL 43 N 0.04 1.19 -0.71 -1.35 2.07 -0.29 -0.81 116.25 116.38 1pva h VAL 43 Ca -0.12 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 66.94 1pva h VAL 43 Cb 1.91 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1pva h VAL 43 CO 0.16 0.22 0.47 0.50 0.02 0.00 0.00 177.57 178.95 1pva h LYS 44 N 0.75 0.60 -0.05 1.57 3.64 -1.16 -0.17 116.57 121.75 1pva h LYS 44 Ca 0.19 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1pva h LYS 44 Cb 0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1pva h LYS 44 CO -0.02 0.39 -0.46 0.87 -2.27 0.00 0.00 179.45 177.96 1pva h LYS 45 N 0.61 0.13 -0.13 1.90 1.57 -1.19 -1.80 116.57 117.66 1pva h LYS 45 Ca 0.33 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.82 1pva h LYS 45 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1pva h LYS 45 CO -0.11 0.57 -0.78 0.28 -0.57 0.00 0.00 179.45 178.83 1pva h VAL 46 N 0.10 1.30 -0.19 0.50 2.07 -0.97 -2.80 116.25 116.26 1pva h VAL 46 Ca 0.00 -2.02 0.04 0.00 0.82 0.00 0.00 66.70 65.55 1pva h VAL 46 Cb 0.86 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1pva h VAL 46 CO 0.07 0.63 -0.08 0.15 0.02 0.00 0.00 177.57 178.36 1pva h PHE 47 N 0.49 -0.17 -0.06 1.57 3.57 -0.87 -1.04 116.94 120.42 1pva h PHE 47 Ca -0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1pva h PHE 47 Cb 1.40 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 1pva h PHE 47 CO 0.08 -0.12 0.03 0.87 -2.23 0.00 0.00 178.31 176.94 1pva h LYS 48 N -0.04 0.08 -0.54 1.11 1.57 -1.31 0.14 116.57 117.57 1pva h LYS 48 Ca 0.10 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1pva h LYS 48 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1pva h LYS 48 CO -0.22 0.06 0.16 0.00 -0.57 0.00 0.00 179.45 178.87 1pva h ALA 49 N 1.96 0.70 0.00 3.86 0.00 -0.94 -3.10 119.26 121.74 1pva h ALA 49 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1pva h ALA 49 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pva h ALA 49 CO -0.00 0.37 -0.79 0.82 0.00 0.00 0.00 179.25 179.65 1pva h ILE 50 N 0.74 1.50 -0.47 0.00 2.04 -0.51 -3.36 117.51 117.45 1pva h ILE 50 Ca 0.17 -2.77 -0.60 0.00 1.00 0.00 0.00 64.86 62.66 1pva h ILE 50 Cb 0.29 2.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 1pva h ILE 50 CO -0.00 0.78 2.14 -0.67 0.00 0.00 0.00 178.15 180.39 1pva n ASP 51 N -3.50 3.94 -0.33 1.72 2.03 -0.10 -4.79 116.55 115.52 1pva n ASP 51 Ca -0.00 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1pva n ASP 51 Cb 0.79 -1.64 0.17 0.00 -0.72 0.00 0.00 41.12 39.72 1pva n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pva h ALA 52 N 7.80 1.38 -0.50 -1.67 0.00 -1.79 -2.13 119.26 122.35 1pva h ALA 52 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1pva h ALA 52 Cb 0.81 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pva h ALA 52 CO 1.56 0.55 0.00 -0.40 0.00 0.00 0.00 179.25 180.96 1pva n ASP 53 N -4.43 2.71 -2.52 0.00 5.75 -1.26 -4.93 116.55 111.87 1pva n ASP 53 Ca 0.12 -2.02 -0.17 0.00 -0.01 0.00 0.00 54.79 52.72 1pva n ASP 53 Cb 0.07 -0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1pva n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pva n ALA 54 N 0.95 -0.75 0.35 2.12 0.00 -0.80 -4.84 120.51 117.53 1pva n ALA 54 Ca 0.17 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.89 1pva n ALA 54 Cb 0.43 -2.02 0.55 0.00 0.00 0.00 0.00 19.45 18.41 1pva n ALA 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pva h SER 55 N -0.16 0.00 0.00 0.00 4.64 -1.92 -3.46 113.55 112.65 1pva h SER 55 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1pva h SER 55 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1pva h SER 55 CO 0.46 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 1pva n GLY 56 N 0.21 1.16 3.15 -0.77 0.00 -1.26 -5.04 105.19 102.64 1pva n GLY 56 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1pva n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pva s PHE 57 N -2.28 1.16 -0.43 1.61 0.08 -1.26 -4.36 117.98 112.50 1pva s PHE 57 Ca 0.00 -0.44 -0.22 0.00 0.12 0.00 0.00 56.93 56.39 1pva s PHE 57 Cb 0.00 -0.66 0.02 0.00 -0.57 0.00 0.00 43.02 41.81 1pva s PHE 57 CO 0.00 0.04 0.71 0.42 -0.10 0.00 0.00 175.22 176.29 1pva s ILE 58 N -1.19 4.75 0.43 0.64 1.01 0.07 -4.84 121.20 122.07 1pva s ILE 58 Ca -0.02 0.37 0.08 0.00 0.00 0.00 0.00 60.65 61.08 1pva s ILE 58 Cb -0.09 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.15 1pva s ILE 58 CO 0.02 -0.60 0.57 -1.83 0.00 0.00 0.00 174.94 173.09 1pva s GLU 59 N 3.03 2.77 0.29 2.79 1.03 -1.26 -0.56 118.70 126.79 1pva s GLU 59 Ca 0.27 -1.30 0.04 0.00 0.03 0.00 0.00 54.97 54.01 1pva s GLU 59 Cb -0.13 -2.71 0.75 0.00 -0.80 0.00 0.00 34.13 31.23 1pva s GLU 59 CO 0.20 -0.30 1.68 1.49 -1.33 0.00 0.00 175.26 177.00 1pva h GLU 60 N 0.65 0.34 -0.32 -4.83 4.81 -1.97 -0.51 114.58 112.75 1pva h GLU 60 Ca -0.39 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1pva h GLU 60 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1pva h GLU 60 CO 0.46 0.23 0.07 0.93 -0.73 0.00 0.00 179.01 179.96 1pva h GLU 61 N 0.35 0.46 -0.03 1.92 3.07 -1.97 -1.81 114.58 116.57 1pva h GLU 61 Ca 0.57 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.20 1pva h GLU 61 Cb 1.12 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1pva h GLU 61 CO -0.56 0.43 -0.71 0.93 -1.40 0.00 0.00 179.01 177.70 1pva h GLU 62 N 0.45 0.19 -0.69 2.33 5.08 -1.46 -3.00 114.58 117.48 1pva h GLU 62 Ca 0.11 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1pva h GLU 62 Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1pva h GLU 62 CO -0.00 0.82 0.25 1.25 -1.00 0.00 0.00 179.01 180.33 1pva h LEU 63 N 0.13 0.97 -1.40 1.33 5.85 -0.94 -1.89 115.31 119.36 1pva h LEU 63 Ca -0.02 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.62 1pva h LEU 63 Cb 1.27 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1pva h LEU 63 CO 0.11 0.89 0.51 0.50 -0.34 0.00 0.00 178.44 180.11 1pva h LYS 64 N 0.99 0.64 -0.56 1.25 1.63 -1.25 -1.65 116.57 117.62 1pva h LYS 64 Ca 0.23 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1pva h LYS 64 Cb 0.24 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1pva h LYS 64 CO -0.01 0.42 0.00 1.19 -3.45 0.00 0.00 179.45 177.60 1pva n PHE 65 N -4.50 1.80 -0.33 1.91 3.72 -0.87 -1.41 117.46 117.77 1pva n PHE 65 Ca 0.13 -0.71 0.14 0.00 -0.05 0.00 0.00 57.45 56.96 1pva n PHE 65 Cb 0.36 -0.42 0.36 0.00 -0.94 0.00 0.00 39.48 38.84 1pva n PHE 65 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1pva h VAL 66 N 3.78 0.72 0.00 -4.37 3.04 -0.52 -1.10 116.25 117.80 1pva h VAL 66 Ca 0.00 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.43 1pva h VAL 66 Cb 1.78 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1pva h VAL 66 CO 0.39 0.13 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.92 1pva h LEU 67 N 0.70 0.00 -0.17 3.16 3.38 -1.83 -1.80 115.31 118.75 1pva h LEU 67 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1pva h LEU 67 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1pva h LEU 67 CO -0.33 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.59 1pva n LYS 68 N -3.40 0.12 0.02 1.13 5.02 -0.41 -1.25 118.16 119.39 1pva n LYS 68 Ca -0.01 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.60 1pva n LYS 68 Cb 0.26 -1.68 0.43 0.00 -0.02 0.00 0.00 35.03 34.02 1pva n LYS 68 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pva n SER 69 N -1.90 0.14 -0.04 4.39 7.64 -0.68 -3.73 113.62 119.44 1pva n SER 69 Ca 0.05 0.53 -0.05 0.00 1.01 0.00 0.00 58.87 60.40 1pva n SER 69 Cb 0.30 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 1pva n SER 69 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1pva n PHE 70 N -1.65 0.00 -3.67 1.43 3.72 -0.38 -4.42 117.46 112.49 1pva n PHE 70 Ca 0.04 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1pva n PHE 70 Cb 0.24 -0.38 -0.09 0.00 -0.94 0.00 0.00 39.48 38.31 1pva n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pva s ALA 71 N -2.19 -1.30 0.54 4.37 0.00 -0.66 -4.80 121.76 117.72 1pva s ALA 71 Ca -0.09 1.76 0.29 0.00 0.00 0.00 0.00 51.96 53.92 1pva s ALA 71 Cb 0.03 -1.17 1.45 0.00 0.00 0.00 0.00 23.12 23.43 1pva s ALA 71 CO 0.27 -0.44 1.94 0.00 0.00 0.00 0.00 175.76 177.54 1pva h ALA 72 N 7.38 2.64 -0.01 0.00 0.00 -1.83 0.17 119.26 127.61 1pva h ALA 72 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pva h ALA 72 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pva h ALA 72 CO 0.22 -0.87 -0.04 -0.40 0.00 0.00 0.00 179.25 178.16 1pva n ASP 73 N -4.27 0.72 -4.67 0.00 5.75 -1.26 -4.87 116.55 107.95 1pva n ASP 73 Ca 0.14 -1.08 -0.45 0.00 -0.01 0.00 0.00 54.79 53.38 1pva n ASP 73 Cb 0.78 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.82 1pva n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pva n GLY 74 N 1.15 1.04 3.73 6.12 0.00 0.60 -4.95 105.19 112.87 1pva n GLY 74 Ca 0.19 0.60 -0.31 0.00 0.00 0.00 0.00 46.02 46.50 1pva n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pva s ARG 75 N 0.46 1.75 0.69 1.61 1.70 -1.26 -4.49 118.95 119.42 1pva s ARG 75 Ca 0.75 1.36 -0.15 0.00 -0.47 0.00 0.00 55.73 57.22 1pva s ARG 75 Cb -0.66 -1.83 0.02 0.00 -0.57 0.00 0.00 34.95 31.91 1pva s ARG 75 CO 0.42 -2.05 1.14 -0.51 -1.08 0.00 0.00 175.30 173.21 1pva s ASP 76 N -3.01 4.77 0.51 -2.89 1.01 -1.26 -4.51 116.67 111.28 1pva s ASP 76 Ca 0.64 2.11 -0.16 0.00 0.71 0.00 0.00 52.55 55.84 1pva s ASP 76 Cb -0.20 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.09 1pva s ASP 76 CO 0.56 -1.86 0.97 -0.76 0.21 0.00 0.00 175.17 174.29 1pva s LEU 77 N -5.01 3.65 0.77 1.23 1.43 -0.50 -5.06 118.68 115.18 1pva s LEU 77 Ca 0.69 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1pva s LEU 77 Cb -0.23 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 41.56 1pva s LEU 77 CO 0.43 -0.57 1.09 0.42 0.23 0.00 0.00 176.35 177.96 1pva s THR 78 N -2.60 3.25 0.18 5.49 -4.23 -1.26 -4.80 115.64 111.67 1pva s THR 78 Ca 0.59 0.41 -0.16 0.00 -1.18 0.00 0.00 61.69 61.34 1pva s THR 78 Cb -0.10 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.66 1pva s THR 78 CO 0.31 -0.53 1.66 -0.78 -0.54 0.00 0.00 174.62 174.73 1pva h ASP 79 N -0.95 -0.43 -0.55 3.99 3.58 -1.99 0.89 116.42 120.97 1pva h ASP 79 Ca -0.46 0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.11 1pva h ASP 79 Cb 1.26 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 42.57 1pva h ASP 79 CO 0.60 -0.15 0.27 0.00 -2.88 0.00 0.00 179.24 177.08 1pva h ALA 80 N 1.46 0.71 -0.75 -0.78 0.00 -1.99 0.96 119.26 118.88 1pva h ALA 80 Ca 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1pva h ALA 80 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1pva h ALA 80 CO -0.48 0.26 0.26 0.93 0.00 0.00 0.00 179.25 180.23 1pva h GLU 81 N 0.74 1.14 -0.22 0.00 5.08 -1.80 0.37 114.58 119.88 1pva h GLU 81 Ca 0.19 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1pva h GLU 81 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1pva h GLU 81 CO -0.03 0.95 -0.00 1.15 -1.00 0.00 0.00 179.01 180.08 1pva h THR 82 N 1.10 1.26 -0.58 1.13 2.02 -0.42 -1.32 112.91 116.10 1pva h THR 82 Ca 0.25 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1pva h THR 82 Cb 0.26 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1pva h THR 82 CO -0.01 0.27 0.33 0.11 0.37 0.00 0.00 175.52 176.59 1pva h LYS 83 N 0.15 0.80 -0.57 6.66 1.79 -0.62 -0.26 116.57 124.52 1pva h LYS 83 Ca 0.06 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1pva h LYS 83 Cb 0.40 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1pva h LYS 83 CO 0.01 0.60 0.27 0.00 -1.08 0.00 0.00 179.45 179.25 1pva h ALA 84 N 1.15 0.74 -0.25 3.86 0.00 -0.85 -0.49 119.26 123.42 1pva h ALA 84 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pva h ALA 84 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pva h ALA 84 CO -0.03 0.31 0.10 0.35 0.00 0.00 0.00 179.25 179.97 1pva h PHE 85 N 0.78 0.39 -0.04 0.00 3.04 -1.10 -2.11 116.94 117.89 1pva h PHE 85 Ca 0.20 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1pva h PHE 85 Cb 0.13 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1pva h PHE 85 CO -0.00 0.41 0.03 1.25 -2.02 0.00 0.00 178.31 177.97 1pva h LEU 86 N 0.26 0.05 -0.67 0.59 6.46 -0.84 -0.84 115.31 120.32 1pva h LEU 86 Ca 0.08 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1pva h LEU 86 Cb 0.19 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1pva h LEU 86 CO -0.01 0.08 0.40 0.50 -0.62 0.00 0.00 178.44 178.79 1pva h LYS 87 N 0.02 0.73 -0.51 1.25 3.64 -1.06 0.79 116.57 121.44 1pva h LYS 87 Ca 0.01 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1pva h LYS 87 Cb 0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1pva h LYS 87 CO -0.00 0.48 0.02 0.00 -2.27 0.00 0.00 179.45 177.69 1pva h ALA 88 N 1.31 1.09 0.05 5.00 0.00 -1.06 -3.34 119.26 122.32 1pva h ALA 88 Ca 0.28 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1pva h ALA 88 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1pva h ALA 88 CO -0.14 0.58 -1.70 0.00 0.00 0.00 0.00 179.25 177.99 1pva h ALA 89 N 1.25 0.57 -1.39 0.00 0.00 -0.72 -3.42 119.26 115.54 1pva h ALA 89 Ca 0.15 -1.35 -0.68 0.00 0.00 0.00 0.00 54.91 53.03 1pva h ALA 89 Cb 0.43 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1pva h ALA 89 CO 0.02 1.41 1.52 0.34 0.00 0.00 0.00 179.25 182.54 1pva s ASP 90 N -6.54 6.80 0.35 0.00 2.15 0.23 -4.60 116.67 115.07 1pva s ASP 90 Ca -0.09 -2.34 0.14 0.00 0.43 0.00 0.00 52.55 50.69 1pva s ASP 90 Cb 0.08 -2.49 0.65 0.00 -0.30 0.00 0.00 42.92 40.86 1pva s ASP 90 CO 0.82 -1.08 1.75 0.11 -0.17 0.00 0.00 175.17 176.60 1pva h LYS 91 N 8.14 0.00 -0.02 4.34 1.79 -1.85 -2.79 116.57 126.18 1pva h LYS 91 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1pva h LYS 91 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1pva h LYS 91 CO 1.31 0.43 -0.17 -0.40 -1.08 0.00 0.00 179.45 179.54 1pva n ASP 92 N -3.83 2.43 0.00 0.86 5.68 -1.26 -4.98 116.55 115.45 1pva n ASP 92 Ca -0.01 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1pva n ASP 92 Cb 0.49 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1pva n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pva n GLY 93 N 1.26 0.44 0.81 6.12 0.00 -1.05 -4.93 105.19 107.84 1pva n GLY 93 Ca 0.11 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1pva n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pva n ASP 94 N 1.21 2.35 0.00 1.61 5.75 -1.26 -4.90 116.55 121.31 1pva n ASP 94 Ca 0.00 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1pva n ASP 94 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1pva n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pva n GLY 95 N 1.08 1.42 3.21 6.12 0.00 -1.26 -5.02 105.19 110.74 1pva n GLY 95 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1pva n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pva s LYS 96 N -0.53 1.25 -0.22 1.61 -2.85 -1.26 -4.38 119.74 113.36 1pva s LYS 96 Ca 0.00 -1.67 -0.03 0.00 -1.00 0.00 0.00 55.97 53.27 1pva s LYS 96 Cb 0.00 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1pva s LYS 96 CO 0.00 -0.41 -0.06 0.42 0.10 0.00 0.00 175.35 175.39 1pva s ILE 97 N -4.09 3.12 0.61 3.79 1.01 0.28 -4.74 121.20 121.18 1pva s ILE 97 Ca 0.39 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1pva s ILE 97 Cb 0.07 -2.44 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1pva s ILE 97 CO 0.13 0.39 0.87 -0.83 0.00 0.00 0.00 174.94 175.50 1pva s GLY 98 N 1.43 1.78 0.20 6.18 0.00 -1.26 -0.75 107.32 114.89 1pva s GLY 98 Ca 0.05 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 1pva s GLY 98 CO -0.05 -0.88 1.78 0.16 0.00 0.00 0.00 173.10 174.11 1pva h ILE 99 N -0.19 0.91 -0.04 0.90 -0.00 -2.00 -1.25 117.51 115.84 1pva h ILE 99 Ca -0.42 -0.18 -0.12 0.00 -0.00 0.00 0.00 64.86 64.14 1pva h ILE 99 Cb 1.30 0.32 -0.01 0.00 -0.00 0.00 0.00 36.82 38.43 1pva h ILE 99 CO 0.54 0.10 -0.51 0.44 -0.00 0.00 0.00 178.15 178.72 1pva h ASP 100 N 0.54 0.11 -0.33 2.16 3.32 -1.97 0.88 116.42 121.13 1pva h ASP 100 Ca 0.27 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1pva h ASP 100 Cb 0.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1pva h ASP 100 CO -0.21 0.60 0.03 -0.33 -1.72 0.00 0.00 179.24 177.62 1pva h GLU 101 N 0.08 0.57 -0.42 3.56 5.08 -1.77 -1.55 114.58 120.13 1pva h GLU 101 Ca 0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1pva h GLU 101 Cb 0.93 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1pva h GLU 101 CO 0.07 0.67 0.23 0.35 -1.00 0.00 0.00 179.01 179.33 1pva h PHE 102 N 0.39 0.58 -0.34 4.33 3.57 -0.43 -1.41 116.94 123.62 1pva h PHE 102 Ca 0.10 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1pva h PHE 102 Cb 0.39 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1pva h PHE 102 CO 0.03 0.45 0.05 0.93 -2.23 0.00 0.00 178.31 177.54 1pva h GLU 103 N 0.55 0.16 -0.65 1.11 4.39 -0.78 -1.78 114.58 117.58 1pva h GLU 103 Ca 0.15 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1pva h GLU 103 Cb 0.06 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1pva h GLU 103 CO -0.02 0.11 0.31 1.15 -1.16 0.00 0.00 179.01 179.40 1pva h THR 104 N 0.17 1.22 -0.53 1.13 2.02 -1.11 -2.49 112.91 113.32 1pva h THR 104 Ca 0.16 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1pva h THR 104 Cb 0.19 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1pva h THR 104 CO -0.23 0.26 0.27 0.25 0.37 0.00 0.00 175.52 176.43 1pva h LEU 105 N 0.90 0.68 -1.14 2.58 5.85 -0.93 -0.01 115.31 123.23 1pva h LEU 105 Ca 0.22 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1pva h LEU 105 Cb 0.12 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1pva h LEU 105 CO -0.03 0.60 0.12 0.58 -0.34 0.00 0.00 178.44 179.38 1pva h VAL 106 N 0.70 1.21 -0.33 1.05 2.07 -1.18 -3.15 116.25 116.62 1pva h VAL 106 Ca 0.18 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pva h VAL 106 Cb 0.10 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1pva h VAL 106 CO -0.03 0.27 0.00 1.41 0.02 0.00 0.00 177.57 179.25 1pva n HIS 107 N -4.30 0.42 1.50 1.57 8.25 -0.88 -4.28 115.22 117.50 1pva n HIS 107 Ca 0.03 -0.25 0.15 0.00 -0.26 0.00 0.00 57.72 57.39 1pva n HIS 107 Cb 0.21 -0.00 0.69 0.00 1.12 0.00 0.00 29.99 32.00 1pva n HIS 107 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1pva n GLU 108 N 1.27 0.73 0.00 -0.41 0.28 -0.07 -5.06 120.64 117.38 1pva n GLU 108 Ca 0.17 -0.19 0.15 0.00 -0.16 0.00 0.00 57.16 57.13 1pva n GLU 108 Cb 0.54 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.63 1pva n GLU 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97