#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jva s LEU 2 N 0.00 4.79 -0.43 -0.89 2.01 0.93 -4.90 118.68 120.19 2jva s LEU 2 Ca 0.00 -0.81 -0.29 0.00 0.01 0.00 0.00 54.13 53.04 2jva s LEU 2 Cb 0.00 -2.52 0.01 0.00 0.01 0.00 0.00 46.19 43.69 2jva s LEU 2 CO 0.00 -0.98 1.39 -0.69 1.01 0.00 0.00 176.35 177.08 2jva s VAL 3 N 2.92 3.92 -0.21 -1.59 1.01 -1.26 -0.13 120.40 125.06 2jva s VAL 3 Ca 0.18 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.99 2jva s VAL 3 Cb -0.18 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 2jva s VAL 3 CO 0.13 -0.81 0.03 -0.38 0.00 0.00 0.00 175.10 174.06 2jva n ILE 4 N 7.05 1.59 -4.14 2.22 2.08 -0.78 -5.00 119.36 122.39 2jva n ILE 4 Ca 0.16 -0.41 -0.14 0.00 0.56 0.00 0.00 62.75 62.92 2jva n ILE 4 Cb 0.48 -1.78 -0.06 0.00 -0.75 0.00 0.00 39.64 37.53 2jva n ILE 4 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2jva s SER 5 N -6.99 0.80 0.39 4.38 0.01 0.01 -4.96 113.70 107.33 2jva s SER 5 Ca -0.31 -1.45 0.16 0.00 1.31 0.00 0.00 55.95 55.66 2jva s SER 5 Cb 0.09 0.58 0.79 0.00 0.21 0.00 0.00 66.02 67.68 2jva s SER 5 CO 0.62 -1.14 1.82 0.78 0.41 0.00 0.00 173.24 175.73 2jva h ASN 6 N 2.23 0.00 -0.02 2.44 2.35 -2.02 -2.92 115.58 117.65 2jva h ASN 6 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2jva h ASN 6 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2jva h ASN 6 CO 0.40 0.36 -0.12 -3.20 -1.65 0.00 0.00 177.43 173.22 2jva n ASN 7 N -3.87 2.28 -3.87 5.81 5.15 -1.26 -4.90 115.26 114.60 2jva n ASN 7 Ca -0.01 -1.64 -0.26 0.00 -0.60 0.00 0.00 54.58 52.07 2jva n ASN 7 Cb 0.42 0.15 -0.17 0.00 -0.53 0.00 0.00 39.78 39.65 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jva s VAL 8 N -1.70 0.87 0.03 3.44 1.01 -1.10 -5.12 120.40 117.83 2jva s VAL 8 Ca 0.19 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2jva s VAL 8 Cb 0.15 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2jva s VAL 8 CO 0.30 0.31 -0.11 -1.00 0.00 0.00 0.00 175.10 174.60 2jva s HIS 9 N 1.77 0.94 -0.40 5.22 3.76 -1.26 -0.81 115.29 124.50 2jva s HIS 9 Ca 0.05 -0.32 -0.08 0.00 -0.15 0.00 0.00 55.06 54.56 2jva s HIS 9 Cb -0.13 -0.57 0.07 0.00 1.11 0.00 0.00 32.58 33.07 2jva s HIS 9 CO -0.07 -0.00 0.21 -1.17 -0.85 0.00 0.00 174.74 172.85 2jva s LEU 10 N -0.97 4.96 0.48 0.89 0.20 0.81 -4.95 118.68 120.10 2jva s LEU 10 Ca -0.01 -1.49 -0.23 0.00 0.69 0.00 0.00 54.13 53.10 2jva s LEU 10 Cb -0.07 -1.94 -0.07 0.00 -0.43 0.00 0.00 46.19 43.69 2jva s LEU 10 CO 0.01 -0.49 1.21 -2.84 -0.29 0.00 0.00 176.35 173.95 2jva s PRO 11 N 1.38 3.64 0.30 0.98 0.02 -1.26 -0.05 135.00 140.01 2jva s PRO 11 Ca 0.02 1.89 0.01 0.00 0.02 0.00 0.00 61.00 62.94 2jva s PRO 11 Cb -0.22 -2.39 0.53 0.00 0.02 0.00 0.00 34.50 32.43 2jva s PRO 11 CO 0.01 -0.69 1.90 -0.44 -0.33 0.00 0.00 177.00 177.46 2jva h ASP 12 N 1.95 0.92 0.04 2.53 5.19 -1.94 -1.92 116.42 123.20 2jva h ASP 12 Ca -0.50 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2jva h ASP 12 Cb 1.26 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2jva h ASP 12 CO 0.60 0.58 0.00 0.00 -3.12 0.00 0.00 179.24 177.30 2jva n ALA 13 N -2.39 2.30 -0.19 3.45 0.00 -1.26 -1.95 120.51 120.47 2jva n ALA 13 Ca 0.14 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2jva n ALA 13 Cb 0.21 -1.36 0.17 0.00 0.00 0.00 0.00 19.45 18.47 2jva n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jva n GLU 14 N -1.03 2.87 -4.29 0.00 1.02 -0.72 -4.87 120.64 113.62 2jva n GLU 14 Ca 0.16 -2.10 -0.30 0.00 -0.02 0.00 0.00 57.16 54.90 2jva n GLU 14 Cb 0.09 -1.29 -0.16 0.00 -0.02 0.00 0.00 31.44 30.05 2jva n GLU 14 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jva s ILE 15 N -1.01 1.65 -0.78 -3.67 1.01 -0.82 -4.63 121.20 112.96 2jva s ILE 15 Ca 0.25 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 2jva s ILE 15 Cb 0.13 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2jva s ILE 15 CO 0.17 0.47 1.42 -0.70 0.00 0.00 0.00 174.94 176.31 2jva s GLU 16 N 1.19 3.15 -0.42 2.79 2.12 -0.34 -4.93 118.70 122.25 2jva s GLU 16 Ca -0.01 -0.27 -0.19 0.00 0.36 0.00 0.00 54.97 54.87 2jva s GLU 16 Cb -0.14 -4.45 0.02 0.00 0.26 0.00 0.00 34.13 29.82 2jva s GLU 16 CO -0.06 -2.30 0.52 -0.51 -0.54 0.00 0.00 175.26 172.37 2jva s LEU 17 N 6.29 4.66 -0.12 2.70 1.02 -1.26 -0.93 118.68 131.05 2jva s LEU 17 Ca 0.43 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.12 2jva s LEU 17 Cb -0.07 -2.54 -0.01 0.00 0.02 0.00 0.00 46.19 43.59 2jva s LEU 17 CO 0.11 -0.64 -0.17 0.42 0.02 0.00 0.00 176.35 176.09 2jva s THR 18 N 2.42 2.73 -0.32 5.49 -4.23 0.12 -4.96 115.64 116.88 2jva s THR 18 Ca 0.17 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 59.68 2jva s THR 18 Cb -0.16 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.56 2jva s THR 18 CO 0.16 0.54 0.69 0.00 -0.54 0.00 0.00 174.62 175.46 2jva s ALA 19 N 0.32 3.50 -0.34 3.99 0.00 -1.26 0.75 121.76 128.72 2jva s ALA 19 Ca -0.13 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 2jva s ALA 19 Cb -0.16 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2jva s ALA 19 CO 0.07 -1.21 0.48 0.42 0.00 0.00 0.00 175.76 175.51 2jva s ILE 20 N 2.78 5.05 0.65 0.00 1.01 0.48 -4.96 121.20 126.21 2jva s ILE 20 Ca 0.28 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.26 2jva s ILE 20 Cb -0.14 -3.93 0.11 0.00 0.01 0.00 0.00 42.46 38.51 2jva s ILE 20 CO 0.13 -0.18 0.90 0.00 0.00 0.00 0.00 174.94 175.80 2jva s ARG 21 N 2.31 1.96 0.23 2.79 1.70 -1.26 -3.83 118.95 122.84 2jva s ARG 21 Ca 0.17 -1.35 -0.29 0.00 -0.47 0.00 0.00 55.73 53.80 2jva s ARG 21 Cb -0.16 -2.47 -0.09 0.00 -0.57 0.00 0.00 34.95 31.66 2jva s ARG 21 CO 0.13 -1.18 0.90 0.00 -1.08 0.00 0.00 175.30 174.07 2jva s ALA 22 N -2.93 3.35 -0.03 7.88 0.00 -1.26 -4.79 121.76 123.99 2jva s ALA 22 Ca 0.64 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 2jva s ALA 22 Cb -0.05 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2jva s ALA 22 CO 0.42 0.23 0.65 -1.14 0.00 0.00 0.00 175.76 175.92 2jva s GLN 23 N -1.25 4.39 -1.36 0.00 0.74 -1.26 -4.97 119.66 115.96 2jva s GLN 23 Ca 0.41 0.82 -0.07 0.00 0.05 0.00 0.00 55.36 56.56 2jva s GLN 23 Cb -0.25 -3.39 0.09 0.00 1.10 0.00 0.00 33.01 30.56 2jva s GLN 23 CO 0.30 0.22 2.41 0.41 -0.55 0.00 0.00 175.29 178.07 2jva n GLY 24 N 2.77 5.02 2.67 2.59 0.00 -1.26 -4.80 105.19 112.18 2jva n GLY 24 Ca -0.04 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2jva n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jva s ALA 25 N -0.45 1.08 0.00 4.61 0.00 -1.26 -4.92 121.76 120.82 2jva s ALA 25 Ca 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2jva s ALA 25 Cb 0.17 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2jva s ALA 25 CO -0.08 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.58 2jva n GLY 26 N 5.04 0.28 4.47 0.00 0.00 -1.26 -4.85 105.19 108.86 2jva n GLY 26 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2jva n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jva n GLY 27 N 2.16 1.65 2.61 -0.02 0.00 -1.26 -4.56 105.19 105.77 2jva n GLY 27 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2jva n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jva n GLN 28 N 0.00 -1.31 0.00 1.61 7.27 -1.26 -4.79 117.38 118.90 2jva n GLN 28 Ca 0.00 0.75 0.08 0.00 0.07 0.00 0.00 57.00 57.91 2jva n GLN 28 Cb 0.00 -4.92 -0.06 0.00 2.41 0.00 0.00 30.24 27.67 2jva n GLN 28 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2jva n ASN 29 N -0.68 1.15 -3.58 1.69 5.15 -1.26 -4.66 115.26 113.07 2jva n ASN 29 Ca -0.09 -1.08 -0.41 0.00 -0.60 0.00 0.00 54.58 52.41 2jva n ASN 29 Cb 0.46 0.81 -0.01 0.00 -0.53 0.00 0.00 39.78 40.52 2jva n ASN 29 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2jva n VAL 30 N -0.94 4.44 -0.73 3.44 0.24 -1.26 -4.53 118.33 118.99 2jva n VAL 30 Ca 0.05 -3.64 0.09 0.00 -2.04 0.00 0.00 64.34 58.79 2jva n VAL 30 Cb 0.31 -2.39 0.37 0.00 -1.47 0.00 0.00 33.84 30.66 2jva n VAL 30 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jva n ASN 31 N 3.57 5.06 -4.51 -1.34 3.02 -1.26 -4.76 115.26 115.04 2jva n ASN 31 Ca 0.59 -2.62 -0.42 0.00 -0.03 0.00 0.00 54.58 52.09 2jva n ASN 31 Cb 0.30 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.77 2jva n ASN 31 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2jva s LYS 32 N -2.18 3.27 0.08 3.52 0.00 -1.26 -5.03 119.74 118.14 2jva s LYS 32 Ca 0.52 -0.61 -0.31 0.00 0.00 0.00 0.00 55.97 55.57 2jva s LYS 32 Cb 0.36 -3.91 -0.08 0.00 0.00 0.00 0.00 37.83 34.19 2jva s LYS 32 CO 0.21 -0.76 1.63 0.54 0.00 0.00 0.00 175.35 176.98 2jva s VAL 33 N 2.15 3.00 0.52 1.79 0.11 -1.26 -4.67 120.40 122.04 2jva s VAL 33 Ca 0.13 0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 59.48 2jva s VAL 33 Cb -0.17 -3.32 -0.06 0.00 -1.53 0.00 0.00 36.38 31.30 2jva s VAL 33 CO 0.13 0.00 1.16 -0.44 -3.33 0.00 0.00 175.10 172.63 2jva s SER 34 N 2.21 5.77 -0.05 3.54 0.01 -1.26 -4.93 113.70 118.99 2jva s SER 34 Ca 0.73 2.27 0.14 0.00 1.31 0.00 0.00 55.95 60.41 2jva s SER 34 Cb -0.40 -2.59 0.51 0.00 0.21 0.00 0.00 66.02 63.74 2jva s SER 34 CO 0.32 -1.19 1.39 -1.54 0.41 0.00 0.00 173.24 172.63 2jva n SER 35 N -1.07 3.31 -4.59 2.44 3.41 -1.26 -4.62 113.62 111.23 2jva n SER 35 Ca 0.10 -2.20 -0.43 0.00 -0.26 0.00 0.00 58.87 56.09 2jva n SER 35 Cb 0.50 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jva s ALA 36 N -1.58 2.88 -0.20 7.33 0.00 -1.25 -4.52 121.76 124.42 2jva s ALA 36 Ca 0.37 -0.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 2jva s ALA 36 Cb 0.22 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 2jva s ALA 36 CO 0.20 -2.66 0.13 -1.64 0.00 0.00 0.00 175.76 171.80 2jva s MET 37 N 5.50 4.19 -0.25 0.00 -1.94 -0.13 -0.39 119.30 126.27 2jva s MET 37 Ca 0.71 -0.22 -0.15 0.00 -1.71 0.00 0.00 55.69 54.32 2jva s MET 37 Cb -0.18 -3.42 -0.04 0.00 2.01 0.00 0.00 34.83 33.20 2jva s MET 37 CO 0.32 0.30 0.36 -1.58 -0.01 0.00 0.00 175.02 174.41 2jva s HIS 38 N 0.36 3.29 -0.21 -0.03 5.04 0.23 0.38 115.29 124.34 2jva s HIS 38 Ca 0.08 0.45 -0.02 0.00 -1.54 0.00 0.00 55.06 54.03 2jva s HIS 38 Cb -0.11 -2.53 0.01 0.00 0.04 0.00 0.00 32.58 29.99 2jva s HIS 38 CO -0.02 -0.13 -0.10 -0.51 -2.34 0.00 0.00 174.74 171.64 2jva s LEU 39 N 1.74 2.72 -0.30 8.88 1.02 0.58 0.12 118.68 133.46 2jva s LEU 39 Ca 0.15 -0.61 -0.05 0.00 0.02 0.00 0.00 54.13 53.64 2jva s LEU 39 Cb -0.15 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.45 2jva s LEU 39 CO 0.09 -0.04 0.05 -0.60 0.02 0.00 0.00 176.35 175.86 2jva s ARG 40 N 1.37 2.86 -0.38 1.70 3.52 -0.10 -0.18 118.95 127.74 2jva s ARG 40 Ca 0.04 -1.00 -0.06 0.00 -0.13 0.00 0.00 55.73 54.58 2jva s ARG 40 Cb -0.14 -3.29 0.07 0.00 -1.56 0.00 0.00 34.95 30.03 2jva s ARG 40 CO -0.07 -0.50 0.17 0.12 -0.81 0.00 0.00 175.30 174.20 2jva s PHE 41 N 1.41 3.36 -0.89 5.12 5.36 0.12 -1.20 117.98 131.26 2jva s PHE 41 Ca 0.00 -1.76 -0.22 0.00 -0.96 0.00 0.00 56.93 53.98 2jva s PHE 41 Cb -0.18 -2.71 0.07 0.00 -0.34 0.00 0.00 43.02 39.86 2jva s PHE 41 CO 0.01 -0.84 1.25 -0.51 -1.46 0.00 0.00 175.22 173.67 2jva s ASP 42 N 1.73 6.43 0.31 6.13 1.11 -1.26 -1.14 116.67 129.99 2jva s ASP 42 Ca 0.02 -1.40 0.00 0.00 0.18 0.00 0.00 52.55 51.35 2jva s ASP 42 Cb -0.22 -2.49 0.53 0.00 1.07 0.00 0.00 42.92 41.81 2jva s ASP 42 CO 0.00 -1.42 1.96 0.40 1.18 0.00 0.00 175.17 177.29 2jva h ILE 43 N 6.27 1.14 -0.17 0.77 2.04 -0.84 -1.43 117.51 125.28 2jva h ILE 43 Ca 0.04 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2jva h ILE 43 Cb 1.03 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2jva h ILE 43 CO 1.27 0.18 0.07 -1.13 0.00 0.00 0.00 178.15 178.55 2jva h ASN 44 N 1.01 0.09 -0.51 1.72 -0.73 -1.52 -2.78 115.58 112.87 2jva h ASN 44 Ca 0.32 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.50 2jva h ASN 44 Cb 0.02 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2jva h ASN 44 CO -0.09 0.08 0.00 0.00 -0.37 0.00 0.00 177.43 177.05 2jva n ALA 45 N -2.19 3.52 -2.26 1.57 0.00 -1.01 -4.94 120.51 115.19 2jva n ALA 45 Ca -0.04 -1.56 -0.28 0.00 0.00 0.00 0.00 53.44 51.56 2jva n ALA 45 Cb 0.06 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 2jva n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jva s SER 46 N -0.70 6.35 -0.03 0.00 1.04 -0.57 -4.97 113.70 114.82 2jva s SER 46 Ca 0.46 0.97 0.07 0.00 0.48 0.00 0.00 55.95 57.92 2jva s SER 46 Cb 0.34 -2.26 0.25 0.00 0.10 0.00 0.00 66.02 64.45 2jva s SER 46 CO 0.15 -0.50 1.09 -1.20 0.98 0.00 0.00 173.24 173.76 2jva n SER 47 N -1.90 1.88 -4.76 7.02 7.64 -1.26 -4.92 113.62 117.33 2jva n SER 47 Ca 0.01 -2.13 -0.41 0.00 1.01 0.00 0.00 58.87 57.35 2jva n SER 47 Cb 0.55 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 2jva n SER 47 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jva s LEU 48 N -0.98 4.39 0.56 -3.43 1.43 -1.26 -4.95 118.68 114.43 2jva s LEU 48 Ca 0.18 2.73 -0.19 0.00 -1.03 0.00 0.00 54.13 55.82 2jva s LEU 48 Cb 0.11 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 2jva s LEU 48 CO 0.09 -0.68 0.67 -2.65 0.23 0.00 0.00 176.35 174.01 2jva n PRO 49 N 1.67 0.66 -0.31 1.29 -0.02 -1.26 -4.62 135.00 132.40 2jva n PRO 49 Ca 0.04 0.25 0.20 0.00 -2.02 0.00 0.00 63.50 61.98 2jva n PRO 49 Cb 0.40 -1.83 0.47 0.00 -0.02 0.00 0.00 33.50 32.53 2jva n PRO 49 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jva h PRO 50 N 0.40 0.45 -0.52 0.52 0.13 -1.99 -0.45 132.00 130.55 2jva h PRO 50 Ca -0.46 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2jva h PRO 50 Cb 1.39 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2jva h PRO 50 CO 0.49 0.30 0.11 0.35 -0.23 0.00 0.00 178.00 179.02 2jva h PHE 51 N 0.47 0.17 -0.19 1.56 3.57 -2.00 0.70 116.94 121.22 2jva h PHE 51 Ca 0.57 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.91 2jva h PHE 51 Cb 1.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 2jva h PHE 51 CO -0.00 -0.00 -0.62 1.88 -2.23 0.00 0.00 178.31 177.34 2jva h TYR 52 N 0.25 0.86 0.06 0.41 0.05 -1.43 -1.84 116.97 115.31 2jva h TYR 52 Ca 0.26 -0.33 0.03 0.00 0.05 0.00 0.00 58.73 58.74 2jva h TYR 52 Cb 0.35 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.90 2jva h TYR 52 CO -0.23 1.11 -0.32 0.87 -1.05 0.00 0.00 178.16 178.54 2jva h LYS 53 N 0.50 -0.49 -0.06 4.88 1.79 -0.65 -1.41 116.57 121.12 2jva h LYS 53 Ca -0.01 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jva h LYS 53 Cb 1.20 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2jva h LYS 53 CO 0.12 -0.32 0.03 0.93 -1.08 0.00 0.00 179.45 179.13 2jva h GLU 54 N -0.50 0.09 -0.65 3.15 5.08 -0.86 0.87 114.58 121.76 2jva h GLU 54 Ca 0.05 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2jva h GLU 54 Cb 0.56 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2jva h GLU 54 CO -0.23 0.19 0.35 0.00 -1.00 0.00 0.00 179.01 178.32 2jva h ARG 55 N -0.03 0.62 -0.04 2.33 2.47 -1.27 -1.53 114.38 116.93 2jva h ARG 55 Ca 0.02 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 2jva h ARG 55 Cb 0.13 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jva h ARG 55 CO -0.00 0.41 -0.18 -0.07 0.56 0.00 0.00 179.97 180.69 2jva h LEU 56 N 0.64 0.23 -1.02 3.04 3.38 -1.10 -2.23 115.31 118.24 2jva h LEU 56 Ca 0.30 -0.66 0.15 0.00 0.09 0.00 0.00 57.88 57.76 2jva h LEU 56 Cb 0.21 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2jva h LEU 56 CO -0.20 0.85 0.62 0.25 0.09 0.00 0.00 178.44 180.05 2jva h LEU 57 N -0.38 0.86 -3.57 1.67 6.46 -0.64 -2.07 115.31 117.65 2jva h LEU 57 Ca -0.01 0.07 -0.38 0.00 -0.12 0.00 0.00 57.88 57.43 2jva h LEU 57 Cb 0.84 -0.10 -0.26 0.00 -0.73 0.00 0.00 40.66 40.41 2jva h LEU 57 CO 0.04 0.40 -0.31 0.00 -0.62 0.00 0.00 178.44 177.96 2jva n ALA 58 N -2.35 4.83 -1.93 1.25 0.00 -0.59 -4.24 120.51 117.49 2jva n ALA 58 Ca 0.21 -3.49 -0.30 0.00 0.00 0.00 0.00 53.44 49.86 2jva n ALA 58 Cb 0.44 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.27 2jva n ALA 58 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jva s LEU 59 N -3.48 3.02 0.00 0.00 2.96 -0.78 -4.95 118.68 115.45 2jva s LEU 59 Ca 0.49 1.09 0.13 0.00 -0.22 0.00 0.00 54.13 55.62 2jva s LEU 59 Cb 0.42 -3.94 0.36 0.00 0.50 0.00 0.00 46.19 43.54 2jva s LEU 59 CO 0.00 -1.21 1.30 -3.20 -1.32 0.00 0.00 176.35 171.93 2jva n ASN 60 N -2.88 2.18 -4.80 3.68 4.05 -1.26 -4.92 115.26 111.31 2jva n ASN 60 Ca 0.06 -2.00 -0.34 0.00 0.45 0.00 0.00 54.58 52.76 2jva n ASN 60 Cb 0.57 -0.27 -0.02 0.00 1.23 0.00 0.00 39.78 41.29 2jva n ASN 60 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jva s ASP 61 N -1.01 6.15 0.00 1.20 2.15 -1.24 -4.06 116.67 119.85 2jva s ASP 61 Ca 0.27 1.90 0.16 0.00 0.43 0.00 0.00 52.55 55.32 2jva s ASP 61 Cb 0.14 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.37 2jva s ASP 61 CO 0.19 -0.92 1.06 -1.54 -0.17 0.00 0.00 175.17 173.79 2jva n SER 62 N -1.31 2.48 -0.09 -0.34 3.41 -1.08 -4.40 113.62 112.29 2jva n SER 62 Ca 0.09 -1.72 -0.15 0.00 -0.26 0.00 0.00 58.87 56.83 2jva n SER 62 Cb 0.53 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 2jva n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jva n ARG 63 N 0.94 0.40 -2.21 4.33 5.12 -1.26 -4.94 116.66 119.04 2jva n ARG 63 Ca 0.10 0.13 -0.43 0.00 -1.93 0.00 0.00 57.85 55.72 2jva n ARG 63 Cb 0.42 -1.26 -0.02 0.00 -1.16 0.00 0.00 32.46 30.44 2jva n ARG 63 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jva s ILE 64 N -2.33 3.89 0.39 0.55 1.01 -1.26 -4.96 121.20 118.49 2jva s ILE 64 Ca -0.24 1.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 2jva s ILE 64 Cb 0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2jva s ILE 64 CO 0.36 -0.21 0.68 0.42 0.00 0.00 0.00 174.94 176.18 2jva s THR 65 N 4.31 4.96 -1.17 2.92 -4.23 -1.26 -4.75 115.64 116.41 2jva s THR 65 Ca 0.65 0.11 0.09 0.00 -1.18 0.00 0.00 61.69 61.36 2jva s THR 65 Cb -0.25 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 69.89 2jva s THR 65 CO 0.24 -0.59 1.23 -1.54 -0.54 0.00 0.00 174.62 173.42 2jva n SER 66 N -1.64 0.00 0.16 3.99 3.41 -1.26 -0.89 113.62 117.39 2jva n SER 66 Ca -0.01 0.36 0.05 0.00 -0.26 0.00 0.00 58.87 59.01 2jva n SER 66 Cb 0.55 -0.41 0.14 0.00 -0.26 0.00 0.00 64.21 64.22 2jva n SER 66 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jva h ASP 67 N 0.00 0.00 -2.01 4.04 5.19 -1.92 -3.46 116.42 118.25 2jva h ASP 67 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2jva h ASP 67 Cb 0.12 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.65 2jva h ASP 67 CO 0.00 0.40 -0.07 0.61 -3.12 0.00 0.00 179.24 177.07 2jva n GLY 68 N 0.95 0.53 3.08 2.75 0.00 -0.07 -4.36 105.19 108.06 2jva n GLY 68 Ca 0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 2jva n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jva s VAL 69 N -3.03 1.47 -0.09 1.61 1.01 -1.26 -0.09 120.40 120.02 2jva s VAL 69 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2jva s VAL 69 Cb -0.01 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2jva s VAL 69 CO 0.07 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 2jva s ILE 70 N 0.74 1.50 -0.06 2.22 -1.09 -0.29 -4.26 121.20 119.96 2jva s ILE 70 Ca -0.12 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.65 2jva s ILE 70 Cb -0.16 -1.34 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 2jva s ILE 70 CO 0.03 0.44 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.35 2jva s VAL 71 N 0.66 1.21 0.19 2.92 1.01 -1.26 0.15 120.40 125.28 2jva s VAL 71 Ca -0.14 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jva s VAL 71 Cb -0.16 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2jva s VAL 71 CO 0.04 0.37 0.06 -0.76 0.00 0.00 0.00 175.10 174.81 2jva s LEU 72 N 0.57 1.75 -0.20 3.92 1.02 0.75 -4.99 118.68 121.51 2jva s LEU 72 Ca -0.14 -1.27 -0.04 0.00 0.02 0.00 0.00 54.13 52.70 2jva s LEU 72 Cb -0.15 0.12 0.09 0.00 0.02 0.00 0.00 46.19 46.26 2jva s LEU 72 CO 0.04 -0.69 0.19 -1.59 0.02 0.00 0.00 176.35 174.32 2jva s LYS 73 N -4.02 0.16 -0.47 1.70 -2.85 -1.25 -0.30 119.74 112.70 2jva s LYS 73 Ca 0.30 0.14 -0.23 0.00 -1.00 0.00 0.00 55.97 55.18 2jva s LYS 73 Cb 0.07 -1.35 0.03 0.00 -2.06 0.00 0.00 37.83 34.52 2jva s LYS 73 CO 0.07 -0.66 0.80 0.00 0.10 0.00 0.00 175.35 175.67 2jva s ALA 74 N 2.28 3.27 0.00 0.59 0.00 0.16 -4.78 121.76 123.29 2jva s ALA 74 Ca 0.06 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2jva s ALA 74 Cb -0.16 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2jva s ALA 74 CO -0.11 -2.01 0.98 0.00 0.00 0.00 0.00 175.76 174.61 2jva n GLN 75 N 6.82 0.00 0.09 0.00 -0.00 -1.26 -0.96 117.38 122.06 2jva n GLN 75 Ca 0.02 -1.02 -0.11 0.00 -0.00 0.00 0.00 57.00 55.89 2jva n GLN 75 Cb 0.48 -0.41 -0.07 0.00 -0.00 0.00 0.00 30.24 30.24 2jva n GLN 75 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2jva h GLN 76 N 0.09 0.21 -6.23 2.61 5.75 -1.92 -3.45 115.11 112.16 2jva h GLN 76 Ca -0.02 -0.28 -0.47 0.00 -0.15 0.00 0.00 58.65 57.73 2jva h GLN 76 Cb 1.42 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 30.04 2jva h GLN 76 CO 0.01 1.06 -0.42 -0.47 -2.65 0.00 0.00 178.83 176.35 2jva s TYR 77 N -2.96 3.19 0.04 3.99 6.14 -1.26 -5.04 117.35 121.45 2jva s TYR 77 Ca -0.03 -0.14 -0.17 0.00 0.64 0.00 0.00 57.07 57.36 2jva s TYR 77 Cb 0.09 -1.71 -0.20 0.00 0.42 0.00 0.00 41.96 40.56 2jva s TYR 77 CO 0.85 0.27 1.18 -0.09 0.64 0.00 0.00 175.55 178.40 2jva h ARG 78 N 1.15 0.53 -6.09 4.97 2.43 -1.98 -3.44 114.38 111.96 2jva h ARG 78 Ca -0.48 -0.50 -0.56 0.00 -0.81 0.00 0.00 59.98 57.63 2jva h ARG 78 Cb 1.24 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.87 2jva h ARG 78 CO 0.58 1.13 0.25 0.95 -1.51 0.00 0.00 179.97 181.37 2jva s THR 79 N -3.47 4.95 0.39 0.20 -4.23 -1.26 -4.56 115.64 107.66 2jva s THR 79 Ca -0.12 1.65 0.11 0.00 -1.18 0.00 0.00 61.69 62.15 2jva s THR 79 Cb 0.05 -4.14 0.13 0.00 1.34 0.00 0.00 72.50 69.89 2jva s THR 79 CO 0.85 0.16 1.89 -0.61 -0.54 0.00 0.00 174.62 176.36 2jva h GLN 80 N 6.96 0.11 -0.22 3.99 4.15 -1.85 -1.34 115.11 126.91 2jva h GLN 80 Ca -0.37 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 2jva h GLN 80 Cb 1.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2jva h GLN 80 CO 0.78 0.35 0.14 1.49 -1.93 0.00 0.00 178.83 179.66 2jva h GLU 81 N 0.10 0.29 -0.01 1.69 4.81 -1.91 -0.62 114.58 118.93 2jva h GLU 81 Ca 0.02 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2jva h GLU 81 Cb 0.49 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2jva h GLU 81 CO 0.03 0.22 -0.71 1.96 -0.73 0.00 0.00 179.01 179.79 2jva h GLN 82 N 0.28 0.04 -0.95 1.92 4.20 -1.90 -2.25 115.11 116.45 2jva h GLN 82 Ca 0.08 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.82 2jva h GLN 82 Cb 0.00 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 2jva h GLN 82 CO -0.02 0.73 0.61 -0.91 -0.67 0.00 0.00 178.83 178.58 2jva h ASN 83 N 0.03 0.98 0.50 1.46 2.35 -0.93 0.30 115.58 120.27 2jva h ASN 83 Ca -0.01 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2jva h ASN 83 Cb 1.25 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 2jva h ASN 83 CO 0.10 0.64 -0.27 -0.09 -1.65 0.00 0.00 177.43 176.15 2jva h ARG 84 N 1.12 -0.69 -0.70 0.81 2.43 -0.74 -2.21 114.38 114.41 2jva h ARG 84 Ca 0.41 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.67 2jva h ARG 84 Cb 0.14 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2jva h ARG 84 CO -0.16 -0.46 0.42 0.00 -1.51 0.00 0.00 179.97 178.26 2jva h ALA 85 N -0.24 0.93 0.09 2.80 0.00 -1.02 -1.49 119.26 120.33 2jva h ALA 85 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jva h ALA 85 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jva h ALA 85 CO 0.09 0.16 -0.04 0.22 0.00 0.00 0.00 179.25 179.68 2jva h ASP 86 N 0.81 -0.10 -0.65 0.00 1.82 -0.34 0.30 116.42 118.25 2jva h ASP 86 Ca 0.29 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2jva h ASP 86 Cb 0.09 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2jva h ASP 86 CO -0.14 0.03 0.42 0.00 -1.61 0.00 0.00 179.24 177.94 2jva h ALA 87 N 0.69 0.83 -0.55 -0.78 0.00 -1.24 -0.54 119.26 117.67 2jva h ALA 87 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jva h ALA 87 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jva h ALA 87 CO 0.02 0.27 0.06 -0.07 0.00 0.00 0.00 179.25 179.53 2jva h LEU 88 N 0.89 0.86 -0.12 0.00 3.38 -1.10 0.00 115.31 119.22 2jva h LEU 88 Ca 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jva h LEU 88 Cb -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2jva h LEU 88 CO -0.05 0.89 0.04 0.25 0.09 0.00 0.00 178.44 179.65 2jva h LEU 89 N 0.85 0.18 -1.05 1.67 7.12 -0.39 -0.08 115.31 123.60 2jva h LEU 89 Ca 0.17 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 2jva h LEU 89 Cb 0.42 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 2jva h LEU 89 CO 0.01 0.33 0.36 0.03 -0.13 0.00 0.00 178.44 179.05 2jva h ARG 90 N 0.01 1.03 -0.21 1.25 -0.00 -0.91 0.44 114.38 116.00 2jva h ARG 90 Ca 0.04 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.98 59.37 2jva h ARG 90 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 2jva h ARG 90 CO -0.00 0.79 0.08 1.25 0.00 0.00 0.00 179.97 182.08 2jva h LEU 91 N 1.03 0.29 -0.70 3.04 6.46 -0.77 -0.35 115.31 124.31 2jva h LEU 91 Ca 0.25 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2jva h LEU 91 Cb 0.09 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 2jva h LEU 91 CO -0.03 0.39 0.33 -1.28 -0.62 0.00 0.00 178.44 177.23 2jva h SER 92 N 0.18 0.92 -0.64 1.25 0.87 -0.61 -1.96 113.55 113.55 2jva h SER 92 Ca 0.07 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2jva h SER 92 Cb 0.20 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2jva h SER 92 CO -0.00 0.80 0.38 -0.08 -0.53 0.00 0.00 176.83 177.39 2jva h GLU 93 N 0.98 0.88 -0.98 2.24 4.22 -0.74 -2.49 114.58 118.69 2jva h GLU 93 Ca 0.24 -0.09 0.02 0.00 0.08 0.00 0.00 59.36 59.61 2jva h GLU 93 Cb 0.12 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2jva h GLU 93 CO -0.03 0.64 0.65 1.25 -2.18 0.00 0.00 179.01 179.35 2jva h LEU 94 N 0.88 1.12 -0.55 1.64 7.12 -0.59 0.50 115.31 125.43 2jva h LEU 94 Ca 0.23 -0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.25 2jva h LEU 94 Cb -0.00 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 39.81 2jva h LEU 94 CO -0.04 0.80 0.31 0.40 -0.13 0.00 0.00 178.44 179.77 2jva h ILE 95 N 1.32 1.00 -0.00 4.05 2.04 -0.92 -0.46 117.51 124.54 2jva h ILE 95 Ca 0.37 -0.20 -0.21 0.00 1.00 0.00 0.00 64.86 65.81 2jva h ILE 95 Cb -0.12 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2jva h ILE 95 CO -0.09 0.11 -0.90 0.58 0.00 0.00 0.00 178.15 177.85 2jva h VAL 96 N 0.59 1.44 0.04 1.67 2.07 -1.18 -3.22 116.25 117.66 2jva h VAL 96 Ca 0.23 -2.50 0.02 0.00 0.82 0.00 0.00 66.70 65.27 2jva h VAL 96 Cb 0.09 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2jva h VAL 96 CO -0.13 0.74 -0.20 -1.13 0.02 0.00 0.00 177.57 176.87 2jva h ASN 97 N 0.18 -0.58 0.37 0.57 -0.73 0.65 -1.25 115.58 114.79 2jva h ASN 97 Ca -0.06 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 2jva h ASN 97 Cb 1.53 0.23 -0.00 0.00 0.27 0.00 0.00 38.32 40.35 2jva h ASN 97 CO 0.15 -0.27 -0.14 0.00 -0.37 0.00 0.00 177.43 176.80 2jva h ALA 98 N 0.52 1.31 0.00 1.57 0.00 -1.19 -1.41 119.26 120.06 2jva h ALA 98 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2jva h ALA 98 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jva h ALA 98 CO -0.16 0.17 -0.45 0.00 0.00 0.00 0.00 179.25 178.81 2jva h ALA 99 N 1.86 0.72 0.00 0.00 0.00 -1.39 -3.27 119.26 117.18 2jva h ALA 99 Ca -0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2jva h ALA 99 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2jva h ALA 99 CO 0.02 0.54 -1.18 -0.22 0.00 0.00 0.00 179.25 178.41 2jva h LYS 100 N 0.00 0.00 -6.85 0.00 1.63 -0.21 -3.47 116.57 107.66 2jva h LYS 100 Ca -0.01 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.30 2jva h LYS 100 Cb 1.34 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2jva h LYS 100 CO 0.06 0.37 0.10 -0.51 -3.45 0.00 0.00 179.45 176.01 2jva s LEU 101 N -5.99 3.77 -0.13 5.20 1.43 -0.77 -5.00 118.68 117.18 2jva s LEU 101 Ca -0.01 1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2jva s LEU 101 Cb 0.08 -3.93 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 2jva s LEU 101 CO 0.80 -0.45 -0.14 -1.84 0.23 0.00 0.00 176.35 174.95 2jva n GLU 102 N -1.62 0.32 -3.71 1.70 0.28 -1.26 -4.96 120.64 111.39 2jva n GLU 102 Ca 0.01 0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 56.99 2jva n GLU 102 Cb 0.54 -1.18 -0.13 0.00 1.43 0.00 0.00 31.44 32.11 2jva n GLU 102 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2jva s HIS 103 N -2.26 -0.41 -0.29 -1.84 3.76 -1.26 -4.95 115.29 108.04 2jva s HIS 103 Ca -0.18 0.93 -0.15 0.00 -0.15 0.00 0.00 55.06 55.51 2jva s HIS 103 Cb 0.06 0.07 0.13 0.00 1.11 0.00 0.00 32.58 33.95 2jva s HIS 103 CO 0.29 -0.29 0.88 -1.01 -0.85 0.00 0.00 174.74 173.76 2jva s HIS 104 N 1.59 -0.77 0.09 1.40 3.76 -1.26 -5.05 115.29 115.04 2jva s HIS 104 Ca -0.07 1.48 -0.12 0.00 -0.15 0.00 0.00 55.06 56.20 2jva s HIS 104 Cb -0.10 0.46 -0.19 0.00 1.11 0.00 0.00 32.58 33.86 2jva s HIS 104 CO -0.09 -0.38 1.24 0.45 -0.85 0.00 0.00 174.74 175.10 2jva h HIS 105 N 6.73 1.01 -5.53 1.40 3.86 -1.98 -3.30 115.15 117.34 2jva h HIS 105 Ca -0.25 -0.52 -0.42 0.00 -1.16 0.00 0.00 60.37 58.02 2jva h HIS 105 Cb 1.18 -0.13 0.02 0.00 1.06 0.00 0.00 27.41 29.53 2jva h HIS 105 CO 0.12 1.35 -0.66 1.58 0.86 0.00 0.00 177.93 181.19 2jva n HIS 106 N -3.87 -2.22 -3.38 2.45 -0.00 -1.26 -2.62 115.22 104.31 2jva n HIS 106 Ca -0.10 0.73 -0.38 0.00 -0.00 0.00 0.00 57.72 57.98 2jva n HIS 106 Cb 0.84 -4.12 -0.06 0.00 -0.00 0.00 0.00 29.99 26.64 2jva n HIS 106 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jva s HIS 107 N -3.19 3.65 -0.23 1.57 5.04 -1.26 -4.60 115.29 116.26 2jva s HIS 107 Ca 0.50 0.99 0.02 0.00 -1.54 0.00 0.00 55.06 55.03 2jva s HIS 107 Cb -0.24 -2.44 0.01 0.00 0.04 0.00 0.00 32.58 29.96 2jva s HIS 107 CO 0.61 0.42 0.56 1.58 -2.34 0.00 0.00 174.74 175.58