#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 4.35 -0.40 3.17 2.96 0.10 -4.86 118.68 124.00 2jva s LEU 2 Ca 0.00 -1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 52.21 2jva s LEU 2 Cb 0.00 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2jva s LEU 2 CO 0.00 -1.35 1.09 -0.69 -1.32 0.00 0.00 176.35 174.07 2jva s VAL 3 N 3.89 4.38 -0.21 1.68 1.01 -1.26 -0.87 120.40 129.01 2jva s VAL 3 Ca 0.32 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.75 2jva s VAL 3 Cb -0.08 -4.49 -0.14 0.00 0.00 0.00 0.00 36.38 31.66 2jva s VAL 3 CO -0.00 -0.73 -0.18 -0.38 0.00 0.00 0.00 175.10 173.80 2jva n ILE 4 N 6.33 1.22 -2.94 2.22 5.41 -1.07 -5.04 119.36 125.51 2jva n ILE 4 Ca 0.11 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.39 2jva n ILE 4 Cb 0.48 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 2jva n ILE 4 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2jva n SER 5 N -3.11 0.00 0.07 4.38 7.64 -0.94 -5.00 113.62 116.66 2jva n SER 5 Ca -0.38 -0.78 -0.13 0.00 1.01 0.00 0.00 58.87 58.59 2jva n SER 5 Cb 0.91 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.02 2jva n SER 5 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2jva h ASN 6 N 0.00 -0.17 -0.01 6.43 4.21 -2.02 -3.23 115.58 120.78 2jva h ASN 6 Ca 0.00 -0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2jva h ASN 6 Cb 0.00 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2jva h ASN 6 CO 0.00 0.25 -0.00 -3.20 -1.29 0.00 0.00 177.43 173.19 2jva n ASN 7 N -4.99 1.21 -4.00 5.81 2.85 -1.26 -4.72 115.26 110.16 2jva n ASN 7 Ca -0.09 -1.40 -0.30 0.00 -0.11 0.00 0.00 54.58 52.68 2jva n ASN 7 Cb 0.24 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.10 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jva s VAL 8 N -2.00 1.62 0.00 3.44 1.01 -1.22 -4.94 120.40 118.31 2jva s VAL 8 Ca 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2jva s VAL 8 Cb 0.21 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 2jva s VAL 8 CO 0.34 0.27 -0.01 -1.00 0.00 0.00 0.00 175.10 174.70 2jva s HIS 9 N 1.43 0.11 -0.33 5.22 3.76 -1.26 -2.22 115.29 121.99 2jva s HIS 9 Ca 0.01 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 2jva s HIS 9 Cb -0.15 -0.07 0.08 0.00 1.11 0.00 0.00 32.58 33.55 2jva s HIS 9 CO -0.09 -0.04 0.04 -0.51 -0.85 0.00 0.00 174.74 173.29 2jva s LEU 10 N -0.33 4.45 0.43 0.89 1.43 -0.05 -4.83 118.68 120.67 2jva s LEU 10 Ca -0.03 -1.80 -0.26 0.00 -1.03 0.00 0.00 54.13 51.01 2jva s LEU 10 Cb -0.02 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 2jva s LEU 10 CO -0.00 -0.36 1.45 -2.65 0.23 0.00 0.00 176.35 175.02 2jva n PRO 11 N 4.44 2.37 -0.35 1.29 -0.02 -1.26 0.02 135.00 141.50 2jva n PRO 11 Ca -0.04 0.84 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 2jva n PRO 11 Cb 0.42 -2.64 0.29 0.00 -0.02 0.00 0.00 33.50 31.55 2jva n PRO 11 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jva h ASP 12 N 2.48 0.81 0.03 2.55 3.32 -1.93 -1.23 116.42 122.45 2jva h ASP 12 Ca -0.51 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 2jva h ASP 12 Cb 1.26 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jva h ASP 12 CO 0.62 0.34 -0.01 0.00 -1.72 0.00 0.00 179.24 178.46 2jva h ALA 13 N 1.61 1.58 -0.04 3.45 0.00 -2.04 -1.15 119.26 122.66 2jva h ALA 13 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2jva h ALA 13 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jva h ALA 13 CO -0.35 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.31 2jva n GLU 14 N -3.94 1.34 -5.27 0.00 1.02 -0.46 -4.74 120.64 108.59 2jva n GLU 14 Ca -0.03 -0.50 -0.31 0.00 -0.02 0.00 0.00 57.16 56.29 2jva n GLU 14 Cb 0.10 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.95 2.04 -0.42 -3.67 1.01 -0.44 -4.24 121.20 113.54 2jva s ILE 15 Ca 0.37 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 2jva s ILE 15 Cb 0.19 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jva s ILE 15 CO 0.30 0.57 0.30 -0.70 0.00 0.00 0.00 174.94 175.41 2jva s GLU 16 N -0.22 2.93 -0.40 2.79 2.56 -0.27 -4.96 118.70 121.14 2jva s GLU 16 Ca -0.02 -1.11 -0.12 0.00 0.00 0.00 0.00 54.97 53.73 2jva s GLU 16 Cb -0.13 -3.96 0.04 0.00 2.00 0.00 0.00 34.13 32.08 2jva s GLU 16 CO 0.03 -0.80 0.25 -0.51 -0.56 0.00 0.00 175.26 173.67 2jva s LEU 17 N 1.64 4.95 0.29 2.70 1.02 -1.26 -0.82 118.68 127.20 2jva s LEU 17 Ca 0.04 -1.10 0.11 0.00 0.02 0.00 0.00 54.13 53.21 2jva s LEU 17 Cb -0.20 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 2jva s LEU 17 CO 0.09 -0.45 -0.17 -0.89 0.02 0.00 0.00 176.35 174.94 2jva s THR 18 N 1.56 2.35 -0.01 5.49 2.01 0.23 -4.97 115.64 122.31 2jva s THR 18 Ca 0.03 -2.35 -0.02 0.00 0.31 0.00 0.00 61.69 59.66 2jva s THR 18 Cb -0.20 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2jva s THR 18 CO 0.07 -0.38 0.14 0.00 -0.69 0.00 0.00 174.62 173.76 2jva s ALA 19 N -2.58 3.81 -0.41 7.40 0.00 -1.26 0.78 121.76 129.51 2jva s ALA 19 Ca 0.30 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 2jva s ALA 19 Cb -0.03 -1.77 0.06 0.00 0.00 0.00 0.00 23.12 21.38 2jva s ALA 19 CO 0.14 0.72 0.25 0.42 0.00 0.00 0.00 175.76 177.29 2jva s ILE 20 N -1.26 4.41 -0.10 0.00 1.01 0.11 -4.78 121.20 120.59 2jva s ILE 20 Ca 0.25 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 2jva s ILE 20 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2jva s ILE 20 CO 0.16 -0.41 0.13 -0.60 0.00 0.00 0.00 174.94 174.23 2jva s ARG 21 N 1.48 3.39 0.04 2.79 3.52 -1.26 -4.30 118.95 124.61 2jva s ARG 21 Ca 0.02 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.49 2jva s ARG 21 Cb -0.22 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2jva s ARG 21 CO 0.04 0.76 -0.15 0.00 -0.81 0.00 0.00 175.30 175.13 2jva s ALA 22 N -1.06 1.29 0.48 6.12 0.00 -1.26 -5.02 121.76 122.31 2jva s ALA 22 Ca 0.17 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2jva s ALA 22 Cb -0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 2jva s ALA 22 CO 0.06 0.26 1.12 1.14 0.00 0.00 0.00 175.76 178.34 2jva s GLN 23 N -1.12 3.72 -0.53 0.00 -2.07 -1.26 -4.72 119.66 113.68 2jva s GLN 23 Ca 0.03 1.62 -0.02 0.00 -1.82 0.00 0.00 55.36 55.17 2jva s GLN 23 Cb -0.08 -2.27 0.30 0.00 -1.09 0.00 0.00 33.01 29.88 2jva s GLN 23 CO 0.01 -0.55 2.12 0.41 -1.32 0.00 0.00 175.29 175.96 2jva n GLY 24 N 0.24 4.99 0.51 2.60 0.00 -1.26 -4.22 105.19 108.05 2jva n GLY 24 Ca 0.08 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.37 2jva n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jva n ALA 25 N -0.18 2.71 -2.70 4.61 0.00 -1.26 -4.70 120.51 118.99 2jva n ALA 25 Ca 0.48 -2.52 -0.23 0.00 0.00 0.00 0.00 53.44 51.17 2jva n ALA 25 Cb 0.57 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2jva n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jva n GLY 26 N -0.99 4.96 0.00 0.00 0.00 -1.26 -5.04 105.19 102.86 2jva n GLY 26 Ca 0.19 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.28 -0.65 3.05 -0.02 0.00 -1.26 -5.10 105.19 100.93 2jva n GLY 27 Ca 0.31 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2jva n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jva s GLN 28 N -1.33 0.20 -0.91 1.61 2.00 -1.26 -4.86 119.66 115.11 2jva s GLN 28 Ca 0.00 0.61 0.00 0.00 -2.00 0.00 0.00 55.36 53.97 2jva s GLN 28 Cb 0.00 -0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.72 2jva s GLN 28 CO 0.00 -0.20 0.00 0.09 -0.50 0.00 0.00 175.29 174.68 2jva n ASN 29 N 4.57 -3.63 -4.17 6.67 4.13 -1.26 -4.99 115.26 116.59 2jva n ASN 29 Ca -0.20 0.08 -0.38 0.00 1.68 0.00 0.00 54.58 55.76 2jva n ASN 29 Cb 0.52 -2.56 -0.10 0.00 -1.54 0.00 0.00 39.78 36.10 2jva n ASN 29 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2jva s VAL 30 N -2.44 3.75 -0.08 2.41 -7.23 -1.26 -4.84 120.40 110.70 2jva s VAL 30 Ca 0.00 -1.91 0.12 0.00 -1.81 0.00 0.00 61.98 58.38 2jva s VAL 30 Cb 0.00 -3.51 0.19 0.00 0.56 0.00 0.00 36.38 33.62 2jva s VAL 30 CO 0.00 -0.73 1.09 0.59 -0.31 0.00 0.00 175.10 175.74 2jva n ASN 31 N 4.75 1.59 -4.68 4.85 3.02 -1.26 -4.55 115.26 118.98 2jva n ASN 31 Ca -0.05 -2.69 -0.35 0.00 -0.03 0.00 0.00 54.58 51.46 2jva n ASN 31 Cb 0.41 -0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 39.15 2jva n ASN 31 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jva s LYS 32 N -1.90 3.19 0.61 3.52 2.20 -1.26 -5.05 119.74 121.05 2jva s LYS 32 Ca 0.21 -0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.25 2jva s LYS 32 Cb 0.18 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2jva s LYS 32 CO 0.02 0.63 1.18 0.54 -0.36 0.00 0.00 175.35 177.35 2jva s VAL 33 N -0.66 2.77 0.64 4.02 0.11 -1.26 -4.95 120.40 121.07 2jva s VAL 33 Ca 0.11 0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 59.46 2jva s VAL 33 Cb -0.12 -3.13 -0.01 0.00 -1.53 0.00 0.00 36.38 31.59 2jva s VAL 33 CO 0.02 -0.13 1.11 -0.44 -3.33 0.00 0.00 175.10 172.33 2jva s SER 34 N -1.79 5.24 0.00 3.54 0.01 -1.26 -4.95 113.70 114.48 2jva s SER 34 Ca 0.75 2.01 0.20 0.00 1.31 0.00 0.00 55.95 60.21 2jva s SER 34 Cb -0.28 -2.55 0.44 0.00 0.21 0.00 0.00 66.02 63.84 2jva s SER 34 CO 0.34 -1.54 1.37 -0.24 0.41 0.00 0.00 173.24 173.58 2jva n SER 35 N -2.24 3.38 -4.65 2.44 2.88 -1.26 -4.90 113.62 109.26 2jva n SER 35 Ca 0.10 -1.95 -0.43 0.00 -1.33 0.00 0.00 58.87 55.26 2jva n SER 35 Cb 0.52 -0.30 -0.02 0.00 -0.75 0.00 0.00 64.21 63.66 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jva s ALA 36 N -1.20 3.61 0.18 -1.46 0.00 -1.25 -4.31 121.76 117.33 2jva s ALA 36 Ca 0.36 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2jva s ALA 36 Cb 0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2jva s ALA 36 CO 0.28 -1.29 0.35 -1.64 0.00 0.00 0.00 175.76 173.46 2jva s MET 37 N 3.63 3.49 -0.12 0.00 -1.94 0.95 0.06 119.30 125.38 2jva s MET 37 Ca 0.55 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 2jva s MET 37 Cb -0.21 -2.89 0.01 0.00 2.01 0.00 0.00 34.83 33.76 2jva s MET 37 CO 0.16 0.45 -0.19 -1.58 -0.01 0.00 0.00 175.02 173.85 2jva s HIS 38 N -1.82 2.26 -0.07 -0.03 5.04 0.23 -0.52 115.29 120.39 2jva s HIS 38 Ca 0.37 -1.07 0.02 0.00 -1.54 0.00 0.00 55.06 52.85 2jva s HIS 38 Cb -0.11 -1.58 0.01 0.00 0.04 0.00 0.00 32.58 30.94 2jva s HIS 38 CO 0.29 -0.51 -0.14 -0.51 -2.34 0.00 0.00 174.74 171.53 2jva s LEU 39 N 0.83 1.71 -0.16 8.88 1.02 -1.22 0.78 118.68 130.52 2jva s LEU 39 Ca -0.09 -0.34 -0.00 0.00 0.02 0.00 0.00 54.13 53.72 2jva s LEU 39 Cb -0.16 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.14 2jva s LEU 39 CO -0.00 0.05 -0.13 -0.60 0.02 0.00 0.00 176.35 175.69 2jva s ARG 40 N 0.62 3.28 -0.29 1.70 3.52 -0.00 -0.50 118.95 127.28 2jva s ARG 40 Ca -0.15 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.77 2jva s ARG 40 Cb -0.16 -2.68 0.08 0.00 -1.56 0.00 0.00 34.95 30.63 2jva s ARG 40 CO 0.04 0.04 -0.04 0.12 -0.81 0.00 0.00 175.30 174.65 2jva s PHE 41 N 0.78 3.47 -0.39 5.12 5.36 0.14 -1.12 117.98 131.34 2jva s PHE 41 Ca -0.05 -2.60 -0.28 0.00 -0.96 0.00 0.00 56.93 53.03 2jva s PHE 41 Cb -0.15 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.21 2jva s PHE 41 CO 0.01 -0.91 1.07 0.34 -1.46 0.00 0.00 175.22 174.27 2jva s ASP 42 N 1.02 6.76 0.30 6.13 -1.08 -1.26 -0.15 116.67 128.39 2jva s ASP 42 Ca -0.01 0.72 0.15 0.00 -0.52 0.00 0.00 52.55 52.89 2jva s ASP 42 Cb -0.20 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.10 2jva s ASP 42 CO -0.06 -1.02 1.58 0.40 0.52 0.00 0.00 175.17 176.60 2jva h ILE 43 N 5.94 1.11 0.12 4.11 2.04 -1.12 -3.06 117.51 126.65 2jva h ILE 43 Ca -0.22 -2.06 -0.01 0.00 1.00 0.00 0.00 64.86 63.58 2jva h ILE 43 Cb 1.06 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2jva h ILE 43 CO 1.06 0.53 -0.06 -1.13 0.00 0.00 0.00 178.15 178.55 2jva h ASN 44 N 0.00 -0.14 0.06 1.72 -0.73 -1.86 -3.33 115.58 111.30 2jva h ASN 44 Ca -0.01 -0.42 0.00 0.00 1.87 0.00 0.00 56.30 57.74 2jva h ASN 44 Cb 1.16 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.79 2jva h ASN 44 CO 0.07 0.44 -0.07 0.00 -0.37 0.00 0.00 177.43 177.50 2jva n ALA 45 N -2.54 2.71 -1.91 1.57 0.00 -1.25 -4.92 120.51 114.18 2jva n ALA 45 Ca -0.08 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.66 2jva n ALA 45 Cb 0.28 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.15 4.56 -0.02 0.00 1.04 -1.16 -4.94 113.70 111.04 2jva s SER 46 Ca 0.35 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.51 2jva s SER 46 Cb 0.21 -1.24 0.08 0.00 0.10 0.00 0.00 66.02 65.17 2jva s SER 46 CO 0.39 -1.85 0.73 -1.20 0.98 0.00 0.00 173.24 172.28 2jva n SER 47 N -3.24 1.26 -4.69 7.02 7.64 -1.26 -4.89 113.62 115.45 2jva n SER 47 Ca 0.08 -2.08 -0.44 0.00 1.01 0.00 0.00 58.87 57.44 2jva n SER 47 Cb 0.61 -0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 2jva n SER 47 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jva n LEU 48 N -0.01 3.63 -4.71 -3.43 4.77 -1.26 -4.91 117.00 111.08 2jva n LEU 48 Ca 0.03 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 2jva n LEU 48 Cb 0.29 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 39.88 2jva n LEU 48 CO 0.03 -0.01 0.91 -2.65 -1.33 0.00 0.00 177.39 174.34 2jva n PRO 49 N 4.04 2.00 -0.27 3.23 -0.02 -1.26 -4.64 135.00 138.07 2jva n PRO 49 Ca 0.17 0.71 0.02 0.00 -2.02 0.00 0.00 63.50 62.38 2jva n PRO 49 Cb 0.32 -2.42 0.09 0.00 -0.02 0.00 0.00 33.50 31.48 2jva n PRO 49 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jva h PRO 50 N 2.16 -0.01 -0.44 0.52 0.11 -1.98 0.11 132.00 132.46 2jva h PRO 50 Ca -0.48 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.71 2jva h PRO 50 Cb 1.29 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 2jva h PRO 50 CO 0.60 -0.00 0.02 0.35 -0.21 0.00 0.00 178.00 178.76 2jva h PHE 51 N -0.01 0.01 -0.05 0.65 3.57 -1.99 0.18 116.94 119.31 2jva h PHE 51 Ca 0.37 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.69 2jva h PHE 51 Cb 0.57 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2jva h PHE 51 CO -0.62 -0.07 -0.85 1.88 -2.23 0.00 0.00 178.31 176.42 2jva h TYR 52 N 0.13 0.66 -0.47 0.41 0.05 -1.51 -1.89 116.97 114.35 2jva h TYR 52 Ca 0.22 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.63 2jva h TYR 52 Cb 0.31 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2jva h TYR 52 CO -0.27 1.12 0.15 -0.22 -1.05 0.00 0.00 178.16 177.89 2jva h LYS 53 N 0.29 0.74 -0.29 4.88 3.64 -0.49 -1.28 116.57 124.06 2jva h LYS 53 Ca -0.06 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 2jva h LYS 53 Cb 1.46 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2jva h LYS 53 CO 0.15 0.70 0.15 0.93 -2.27 0.00 0.00 179.45 179.11 2jva h GLU 54 N 0.63 0.42 -0.71 1.90 4.39 -0.65 -0.97 114.58 119.60 2jva h GLU 54 Ca 0.15 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.89 2jva h GLU 54 Cb 0.27 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 2jva h GLU 54 CO -0.00 0.38 0.35 -0.09 -1.16 0.00 0.00 179.01 178.48 2jva h ARG 55 N 0.35 0.57 -0.12 2.33 1.12 -1.11 0.49 114.38 118.01 2jva h ARG 55 Ca 0.10 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.83 2jva h ARG 55 Cb 0.09 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2jva h ARG 55 CO -0.01 0.38 -0.36 -0.07 -3.11 0.00 0.00 179.97 176.79 2jva h LEU 56 N 0.59 0.53 -0.93 3.80 3.38 -1.05 -2.67 115.31 118.96 2jva h LEU 56 Ca 0.35 -0.60 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2jva h LEU 56 Cb 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2jva h LEU 56 CO -0.27 1.03 0.20 0.25 0.09 0.00 0.00 178.44 179.74 2jva h LEU 57 N 0.04 0.92 -3.89 1.67 5.85 -0.86 -2.73 115.31 116.31 2jva h LEU 57 Ca -0.01 -0.16 -0.51 0.00 0.84 0.00 0.00 57.88 58.04 2jva h LEU 57 Cb 0.98 -0.24 -0.28 0.00 0.37 0.00 0.00 40.66 41.50 2jva h LEU 57 CO 0.08 0.86 0.55 0.00 -0.34 0.00 0.00 178.44 179.58 2jva n ALA 58 N -2.45 5.58 -1.98 1.25 0.00 0.13 -4.95 120.51 118.10 2jva n ALA 58 Ca 0.05 -3.12 -0.23 0.00 0.00 0.00 0.00 53.44 50.15 2jva n ALA 58 Cb 0.22 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.44 3.09 -0.05 0.00 2.96 -1.01 -4.95 118.68 115.28 2jva s LEU 59 Ca 0.57 -0.16 0.18 0.00 -0.22 0.00 0.00 54.13 54.50 2jva s LEU 59 Cb 0.47 -2.44 0.59 0.00 0.50 0.00 0.00 46.19 45.31 2jva s LEU 59 CO 0.06 -1.54 1.50 -3.20 -1.32 0.00 0.00 176.35 171.85 2jva n ASN 60 N -2.63 3.98 -4.68 3.68 4.05 -1.26 -4.96 115.26 113.44 2jva n ASN 60 Ca 0.11 -2.20 -0.40 0.00 0.45 0.00 0.00 54.58 52.54 2jva n ASN 60 Cb 0.60 -0.46 -0.05 0.00 1.23 0.00 0.00 39.78 41.10 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 -1.03 6.86 0.00 1.20 -1.08 -1.26 -4.93 116.67 116.43 2jva s ASP 61 Ca 0.43 1.04 0.31 0.00 -0.52 0.00 0.00 52.55 53.81 2jva s ASP 61 Cb 0.25 -2.40 1.60 0.00 -1.46 0.00 0.00 42.92 40.92 2jva s ASP 61 CO 0.25 -0.25 2.07 -1.20 0.52 0.00 0.00 175.17 176.56 2jva n SER 62 N 4.66 0.21 0.15 -0.34 7.64 -1.26 -2.39 113.62 122.30 2jva n SER 62 Ca 0.00 -0.72 0.12 0.00 1.01 0.00 0.00 58.87 59.29 2jva n SER 62 Cb 0.50 -0.09 0.21 0.00 -1.01 0.00 0.00 64.21 63.82 2jva n SER 62 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jva h ARG 63 N 0.30 0.00 -5.04 1.43 3.08 -2.00 -3.43 114.38 108.73 2jva h ARG 63 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2jva h ARG 63 Cb 0.19 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.08 2jva h ARG 63 CO 0.00 0.00 -0.30 0.42 -1.07 0.00 0.00 179.97 179.02 2jva s ILE 64 N -3.20 5.19 0.62 2.04 1.01 -1.00 -4.68 121.20 121.19 2jva s ILE 64 Ca 0.07 0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 2jva s ILE 64 Cb 0.09 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2jva s ILE 64 CO 0.67 0.08 1.11 0.42 0.00 0.00 0.00 174.94 177.22 2jva s THR 65 N 2.00 3.27 -1.43 2.92 -4.23 -1.19 -4.87 115.64 112.10 2jva s THR 65 Ca 0.12 0.64 0.10 0.00 -1.18 0.00 0.00 61.69 61.37 2jva s THR 65 Cb -0.16 -3.17 0.17 0.00 1.34 0.00 0.00 72.50 70.68 2jva s THR 65 CO 0.11 -0.32 1.19 -1.20 -0.54 0.00 0.00 174.62 173.86 2jva n SER 66 N -2.11 0.00 -0.00 3.99 7.64 -1.26 -0.84 113.62 121.04 2jva n SER 66 Ca 0.11 0.15 0.09 0.00 1.01 0.00 0.00 58.87 60.22 2jva n SER 66 Cb 0.52 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 63.31 2jva n SER 66 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jva n ASP 67 N -1.28 0.78 -0.08 6.43 2.03 -1.26 -5.00 116.55 118.17 2jva n ASP 67 Ca 0.05 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2jva n ASP 67 Cb 0.08 1.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.74 2jva n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jva n GLY 68 N 1.43 1.19 3.13 0.27 0.00 -0.02 -4.81 105.19 106.38 2jva n GLY 68 Ca 0.01 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.17 1.58 -0.25 1.61 1.01 -1.26 -0.43 120.40 120.50 2jva s VAL 69 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2jva s VAL 69 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2jva s VAL 69 CO 0.00 0.45 0.12 -0.63 0.00 0.00 0.00 175.10 175.04 2jva s ILE 70 N 0.43 4.81 -0.15 2.22 -1.09 0.78 -3.20 121.20 125.00 2jva s ILE 70 Ca -0.15 -0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 2jva s ILE 70 Cb -0.16 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 2jva s ILE 70 CO 0.06 0.32 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.23 2jva s VAL 71 N 1.47 1.75 0.34 2.92 1.01 -1.26 0.24 120.40 126.86 2jva s VAL 71 Ca 0.06 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2jva s VAL 71 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2jva s VAL 71 CO 0.06 0.49 0.19 -0.76 0.00 0.00 0.00 175.10 175.08 2jva s LEU 72 N 1.23 3.38 -0.25 3.92 2.01 0.35 -4.99 118.68 124.33 2jva s LEU 72 Ca 0.01 -0.68 -0.02 0.00 0.01 0.00 0.00 54.13 53.45 2jva s LEU 72 Cb -0.14 -1.90 0.08 0.00 0.01 0.00 0.00 46.19 44.24 2jva s LEU 72 CO -0.08 -0.31 0.08 -0.54 1.01 0.00 0.00 176.35 176.51 2jva s LYS 73 N -3.89 0.56 -0.50 1.70 1.02 -1.26 -3.36 119.74 114.00 2jva s LYS 73 Ca 0.39 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.58 2jva s LYS 73 Cb -0.04 -1.87 0.11 0.00 -0.52 0.00 0.00 37.83 35.51 2jva s LYS 73 CO 0.24 -0.84 0.43 0.00 -0.92 0.00 0.00 175.35 174.26 2jva s ALA 74 N 1.83 3.56 0.00 5.17 0.00 0.33 -4.79 121.76 127.86 2jva s ALA 74 Ca 0.05 -2.37 0.23 0.00 0.00 0.00 0.00 51.96 49.87 2jva s ALA 74 Cb -0.17 -3.10 0.37 0.00 0.00 0.00 0.00 23.12 20.22 2jva s ALA 74 CO -0.20 -1.88 1.15 0.00 0.00 0.00 0.00 175.76 174.83 2jva n GLN 75 N 5.17 0.00 0.06 0.00 10.64 -1.26 -0.03 117.38 131.95 2jva n GLN 75 Ca -0.12 -1.87 -0.00 0.00 -1.83 0.00 0.00 57.00 53.18 2jva n GLN 75 Cb 0.42 -0.02 -0.06 0.00 -0.86 0.00 0.00 30.24 29.71 2jva n GLN 75 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2jva h GLN 76 N 0.87 0.00 -6.09 2.61 7.50 -1.92 -3.47 115.11 114.61 2jva h GLN 76 Ca -0.22 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.39 2jva h GLN 76 Cb 1.83 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 29.29 2jva h GLN 76 CO 0.08 0.39 -0.52 -0.47 -1.50 0.00 0.00 178.83 176.81 2jva s TYR 77 N -2.90 2.72 0.04 2.96 5.04 -1.26 -5.05 117.35 118.89 2jva s TYR 77 Ca -0.01 -0.39 -0.24 0.00 -2.44 0.00 0.00 57.07 53.98 2jva s TYR 77 Cb 0.08 -1.70 -0.17 0.00 0.35 0.00 0.00 41.96 40.52 2jva s TYR 77 CO 0.80 0.29 1.53 -0.09 -1.34 0.00 0.00 175.55 176.74 2jva h ARG 78 N 1.49 -0.03 -5.67 4.97 2.43 -1.96 -3.45 114.38 112.16 2jva h ARG 78 Ca -0.44 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.07 2jva h ARG 78 Cb 1.25 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 2jva h ARG 78 CO 0.63 0.18 -0.46 0.95 -1.51 0.00 0.00 179.97 179.76 2jva s THR 79 N -5.35 5.48 0.27 0.20 -4.23 -1.26 -4.86 115.64 105.88 2jva s THR 79 Ca -0.14 0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2jva s THR 79 Cb 0.04 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.72 2jva s THR 79 CO 0.66 0.62 1.82 1.56 -0.54 0.00 0.00 174.62 178.73 2jva h GLN 80 N 4.96 0.86 -0.83 3.99 4.20 -1.86 -0.50 115.11 125.93 2jva h GLN 80 Ca -0.55 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.08 2jva h GLN 80 Cb 1.23 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 2jva h GLN 80 CO 0.58 0.57 0.40 0.93 -0.67 0.00 0.00 178.83 180.64 2jva h GLU 81 N 0.89 1.20 -0.01 1.46 3.07 -1.94 -0.14 114.58 119.11 2jva h GLU 81 Ca 0.48 -0.18 -0.18 0.00 -0.50 0.00 0.00 59.36 58.97 2jva h GLU 81 Cb 0.51 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2jva h GLU 81 CO -0.28 0.92 -0.82 1.96 -1.40 0.00 0.00 179.01 179.40 2jva h GLN 82 N 1.19 0.18 -0.65 2.33 7.50 -1.82 -2.88 115.11 120.96 2jva h GLN 82 Ca 0.29 -0.18 -0.02 0.00 0.50 0.00 0.00 58.65 59.24 2jva h GLN 82 Cb 0.12 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.66 2jva h GLN 82 CO -0.04 0.90 0.33 -0.91 -1.50 0.00 0.00 178.83 177.62 2jva h ASN 83 N 0.11 0.82 -0.84 1.46 2.35 -0.43 0.18 115.58 119.22 2jva h ASN 83 Ca -0.03 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2jva h ASN 83 Cb 1.42 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.54 2jva h ASN 83 CO 0.12 0.68 0.44 0.03 -1.65 0.00 0.00 177.43 177.05 2jva h ARG 84 N 0.92 1.20 -0.31 0.81 3.08 -0.87 -1.20 114.38 118.00 2jva h ARG 84 Ca 0.23 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 2jva h ARG 84 Cb 0.06 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2jva h ARG 84 CO -0.03 0.90 -0.50 0.00 -1.07 0.00 0.00 179.97 179.26 2jva h ALA 85 N 1.28 0.48 -0.31 0.04 0.00 -1.14 -2.63 119.26 116.98 2jva h ALA 85 Ca 0.30 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jva h ALA 85 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2jva h ALA 85 CO -0.04 0.67 0.08 0.22 0.00 0.00 0.00 179.25 180.18 2jva h ASP 86 N 0.69 0.06 -0.83 0.00 1.82 -0.43 -0.48 116.42 117.25 2jva h ASP 86 Ca 0.03 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.74 2jva h ASP 86 Cb 1.11 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 41.12 2jva h ASP 86 CO 0.12 0.07 0.55 0.00 -1.61 0.00 0.00 179.24 178.36 2jva h ALA 87 N 1.22 1.47 -0.49 -0.78 0.00 -1.18 -0.68 119.26 118.82 2jva h ALA 87 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2jva h ALA 87 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jva h ALA 87 CO -0.17 0.46 -0.18 -0.07 0.00 0.00 0.00 179.25 179.28 2jva h LEU 88 N 1.05 1.01 0.23 0.00 3.38 -1.01 -0.96 115.31 119.01 2jva h LEU 88 Ca 0.32 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jva h LEU 88 Cb -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2jva h LEU 88 CO -0.09 1.17 -0.11 0.25 0.09 0.00 0.00 178.44 179.74 2jva h LEU 89 N 0.84 -0.26 -1.43 1.67 6.46 -0.29 -1.08 115.31 121.22 2jva h LEU 89 Ca 0.12 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 2jva h LEU 89 Cb 0.76 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2jva h LEU 89 CO 0.06 -0.08 -0.28 0.08 -0.62 0.00 0.00 178.44 177.60 2jva h ARG 90 N -0.43 0.00 0.03 1.25 0.11 -1.17 -0.30 114.38 113.87 2jva h ARG 90 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2jva h ARG 90 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2jva h ARG 90 CO 0.05 0.28 -0.01 1.25 0.10 0.00 0.00 179.97 181.64 2jva h LEU 91 N 0.00 -0.03 -1.08 0.08 6.46 -0.91 -1.00 115.31 118.83 2jva h LEU 91 Ca -0.00 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 2jva h LEU 91 Cb 0.57 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2jva h LEU 91 CO 0.04 0.26 -0.13 -1.28 -0.62 0.00 0.00 178.44 176.70 2jva h SER 92 N -0.33 0.49 0.03 1.25 0.87 -0.86 -2.43 113.55 112.56 2jva h SER 92 Ca -0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2jva h SER 92 Cb 0.31 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jva h SER 92 CO 0.01 0.65 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.83 2jva h GLU 93 N 0.46 -0.09 -0.44 2.24 4.22 -0.96 -2.79 114.58 117.23 2jva h GLU 93 Ca 0.08 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.61 2jva h GLU 93 Cb 0.51 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2jva h GLU 93 CO 0.03 -0.06 -0.01 1.25 -2.18 0.00 0.00 179.01 178.04 2jva h LEU 94 N -0.09 -0.21 -0.08 1.64 6.46 -0.80 0.12 115.31 122.36 2jva h LEU 94 Ca 0.01 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2jva h LEU 94 Cb 0.10 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2jva h LEU 94 CO -0.02 -0.07 -0.09 0.40 -0.62 0.00 0.00 178.44 178.04 2jva h ILE 95 N 0.10 0.74 0.06 4.05 2.04 -1.24 0.59 117.51 123.85 2jva h ILE 95 Ca 0.22 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.81 2jva h ILE 95 Cb 0.32 0.74 0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2jva h ILE 95 CO -0.38 0.00 -1.12 0.58 0.00 0.00 0.00 178.15 177.23 2jva h VAL 96 N -0.12 1.32 -0.07 1.67 2.07 -1.23 -3.10 116.25 116.78 2jva h VAL 96 Ca 0.06 -2.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 2jva h VAL 96 Cb 0.21 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2jva h VAL 96 CO -0.15 0.74 -0.22 -1.13 0.02 0.00 0.00 177.57 176.82 2jva h ASN 97 N 0.30 0.32 1.43 0.57 -1.24 -0.62 -3.24 115.58 113.09 2jva h ASN 97 Ca -0.15 -0.61 -0.03 0.00 0.71 0.00 0.00 56.30 56.23 2jva h ASN 97 Cb 1.78 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.74 2jva h ASN 97 CO 0.21 0.87 -0.13 0.00 -1.29 0.00 0.00 177.43 177.09 2jva h ALA 98 N 0.45 0.95 0.00 1.57 0.00 -1.02 -2.85 119.26 118.36 2jva h ALA 98 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jva h ALA 98 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jva h ALA 98 CO 0.05 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2jva n ALA 99 N -2.15 2.20 0.75 0.00 0.00 -1.17 -2.24 120.51 117.89 2jva n ALA 99 Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2jva n ALA 99 Cb 0.48 -1.35 0.13 0.00 0.00 0.00 0.00 19.45 18.71 2jva n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jva n LYS 100 N -1.18 0.17 -1.87 0.00 5.02 -1.08 -4.88 118.16 114.35 2jva n LYS 100 Ca 0.13 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.03 2jva n LYS 100 Cb 0.13 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2jva n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jva s LEU 101 N -3.61 3.42 -0.04 -0.35 1.43 -0.95 -4.74 118.68 113.83 2jva s LEU 101 Ca 0.07 1.08 0.15 0.00 -1.03 0.00 0.00 54.13 54.41 2jva s LEU 101 Cb 0.15 -3.05 -0.23 0.00 0.03 0.00 0.00 46.19 43.09 2jva s LEU 101 CO 0.75 -2.15 0.30 -1.84 0.23 0.00 0.00 176.35 173.64 2jva n GLU 102 N 8.79 0.64 -3.54 1.70 0.28 -1.26 -4.99 120.64 122.26 2jva n GLU 102 Ca 0.26 -0.12 -0.32 0.00 -0.16 0.00 0.00 57.16 56.82 2jva n GLU 102 Cb 0.49 -1.37 -0.05 0.00 1.43 0.00 0.00 31.44 31.95 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 -2.98 3.45 0.35 -1.84 3.76 -1.26 -5.10 115.29 111.67 2jva s HIS 103 Ca -0.06 0.72 0.09 0.00 -0.15 0.00 0.00 55.06 55.65 2jva s HIS 103 Cb 0.09 -2.13 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 2jva s HIS 103 CO 0.64 0.35 0.02 -1.01 -0.85 0.00 0.00 174.74 173.89 2jva s HIS 104 N -1.75 2.55 -0.37 1.40 3.76 -1.26 -5.06 115.29 114.56 2jva s HIS 104 Ca 0.44 -0.47 -0.19 0.00 -0.15 0.00 0.00 55.06 54.70 2jva s HIS 104 Cb -0.12 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2jva s HIS 104 CO 0.23 0.45 0.53 -1.58 -0.85 0.00 0.00 174.74 173.53 2jva s HIS 105 N -2.54 3.16 -0.52 1.40 2.46 -1.26 -4.99 115.29 112.99 2jva s HIS 105 Ca 0.35 0.10 -0.26 0.00 0.47 0.00 0.00 55.06 55.71 2jva s HIS 105 Cb 0.01 -3.01 -0.05 0.00 -0.13 0.00 0.00 32.58 29.41 2jva s HIS 105 CO 0.19 -0.62 2.18 -1.58 -2.47 0.00 0.00 174.74 172.45 2jva s HIS 106 N 2.46 1.31 0.00 3.88 2.46 -1.26 -4.58 115.29 119.56 2jva s HIS 106 Ca 0.19 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.94 2jva s HIS 106 Cb -0.15 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 2jva s HIS 106 CO 0.14 -2.50 0.00 0.72 -2.47 0.00 0.00 174.74 170.63 2jva n HIS 107 N 14.47 0.00 -1.23 3.88 8.25 -1.26 -5.37 115.22 133.95 2jva n HIS 107 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2jva n HIS 107 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2jva n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56