#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 4.53 -0.46 -0.89 2.96 0.11 -4.87 118.68 120.06 2jva s LEU 2 Ca 0.00 -0.82 -0.27 0.00 -0.22 0.00 0.00 54.13 52.82 2jva s LEU 2 Cb 0.00 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2jva s LEU 2 CO 0.00 -1.22 0.99 -0.69 -1.32 0.00 0.00 176.35 174.11 2jva s VAL 3 N 3.58 4.40 -0.08 1.68 1.01 -1.26 -0.08 120.40 129.65 2jva s VAL 3 Ca 0.22 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.06 2jva s VAL 3 Cb -0.17 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 2jva s VAL 3 CO 0.13 -0.86 -0.14 -0.38 0.00 0.00 0.00 175.10 173.85 2jva n ILE 4 N 6.50 0.72 -3.64 2.22 5.41 -1.11 -5.02 119.36 124.45 2jva n ILE 4 Ca 0.08 0.34 -0.22 0.00 1.00 0.00 0.00 62.75 63.95 2jva n ILE 4 Cb 0.49 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.46 2jva n ILE 4 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2jva s SER 5 N -4.80 4.93 0.22 4.38 0.01 -1.04 -5.00 113.70 112.39 2jva s SER 5 Ca -0.11 -0.86 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 2jva s SER 5 Cb 0.02 -0.37 0.18 0.00 0.21 0.00 0.00 66.02 66.06 2jva s SER 5 CO 0.17 -0.75 1.72 -1.13 0.41 0.00 0.00 173.24 173.66 2jva h ASN 6 N 0.98 0.97 -0.24 2.44 -1.24 -2.02 -2.97 115.58 113.51 2jva h ASN 6 Ca -0.40 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.38 2jva h ASN 6 Cb 1.27 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2jva h ASN 6 CO 0.58 0.98 0.00 0.59 -1.29 0.00 0.00 177.43 178.29 2jva n ASN 7 N -4.21 2.86 -3.84 1.15 4.13 -1.26 -4.83 115.26 109.25 2jva n ASN 7 Ca 0.04 -1.91 -0.25 0.00 1.68 0.00 0.00 54.58 54.14 2jva n ASN 7 Cb 0.29 -0.15 -0.17 0.00 -1.54 0.00 0.00 39.78 38.22 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jva s VAL 8 N -1.71 0.75 0.03 2.41 1.01 -1.12 -5.13 120.40 116.65 2jva s VAL 8 Ca 0.35 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2jva s VAL 8 Cb 0.21 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2jva s VAL 8 CO 0.30 0.27 -0.17 -1.00 0.00 0.00 0.00 175.10 174.50 2jva s HIS 9 N 1.81 1.50 -0.40 5.22 3.76 -1.26 -2.50 115.29 123.42 2jva s HIS 9 Ca 0.04 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.54 2jva s HIS 9 Cb -0.13 -0.90 0.08 0.00 1.11 0.00 0.00 32.58 32.73 2jva s HIS 9 CO -0.07 0.04 0.21 -0.51 -0.85 0.00 0.00 174.74 173.56 2jva s LEU 10 N -0.98 4.97 0.55 0.89 1.43 0.88 -4.96 118.68 121.46 2jva s LEU 10 Ca 0.05 -1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 51.40 2jva s LEU 10 Cb -0.08 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2jva s LEU 10 CO 0.01 -0.49 1.37 -2.84 0.23 0.00 0.00 176.35 174.63 2jva s PRO 11 N 1.36 3.14 0.47 1.29 0.02 -1.26 0.05 135.00 140.06 2jva s PRO 11 Ca 0.03 2.25 0.17 0.00 0.02 0.00 0.00 61.00 63.47 2jva s PRO 11 Cb -0.22 -2.26 1.14 0.00 0.02 0.00 0.00 34.50 33.17 2jva s PRO 11 CO 0.01 -1.20 2.00 -0.44 -0.33 0.00 0.00 177.00 177.04 2jva h ASP 12 N 1.47 0.25 0.24 2.53 3.32 -1.94 -0.74 116.42 121.55 2jva h ASP 12 Ca -0.51 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 2jva h ASP 12 Cb 1.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2jva h ASP 12 CO 0.57 0.15 -0.19 0.00 -1.72 0.00 0.00 179.24 178.05 2jva h ALA 13 N 1.73 1.57 -0.17 3.45 0.00 -2.05 -2.10 119.26 121.70 2jva h ALA 13 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jva h ALA 13 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jva h ALA 13 CO -0.05 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.82 2jva n GLU 14 N -4.15 1.50 -4.07 0.00 1.02 -0.28 -4.65 120.64 110.01 2jva n GLU 14 Ca -0.02 -0.76 -0.32 0.00 -0.02 0.00 0.00 57.16 56.04 2jva n GLU 14 Cb 0.26 -1.26 -0.16 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.78 1.98 -0.59 -3.67 1.01 -0.79 -4.61 121.20 112.76 2jva s ILE 15 Ca 0.23 -1.22 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 2jva s ILE 15 Cb 0.12 -1.97 0.07 0.00 0.01 0.00 0.00 42.46 40.68 2jva s ILE 15 CO 0.17 0.23 0.83 -0.70 0.00 0.00 0.00 174.94 175.47 2jva s GLU 16 N 1.25 3.14 -0.39 2.79 2.56 -0.41 -4.97 118.70 122.68 2jva s GLU 16 Ca -0.02 -0.83 -0.13 0.00 0.00 0.00 0.00 54.97 53.99 2jva s GLU 16 Cb -0.16 -4.17 0.02 0.00 2.00 0.00 0.00 34.13 31.81 2jva s GLU 16 CO -0.09 -1.57 0.26 -0.51 -0.56 0.00 0.00 175.26 172.79 2jva s LEU 17 N 3.44 4.92 0.11 2.70 1.43 -1.26 -1.54 118.68 128.49 2jva s LEU 17 Ca 0.20 -0.94 0.10 0.00 -1.03 0.00 0.00 54.13 52.47 2jva s LEU 17 Cb -0.18 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2jva s LEU 17 CO 0.11 -0.42 -0.26 -0.89 0.23 0.00 0.00 176.35 175.13 2jva s THR 18 N 1.62 2.16 0.05 5.49 2.01 -0.27 -5.02 115.64 121.68 2jva s THR 18 Ca 0.04 -1.67 0.03 0.00 0.31 0.00 0.00 61.69 60.39 2jva s THR 18 Cb -0.19 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2jva s THR 18 CO 0.08 0.11 0.02 0.00 -0.69 0.00 0.00 174.62 174.15 2jva s ALA 19 N -1.03 3.37 0.27 7.40 0.00 -1.26 0.13 121.76 130.63 2jva s ALA 19 Ca 0.13 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2jva s ALA 19 Cb -0.10 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 2jva s ALA 19 CO 0.05 0.69 -0.05 0.42 0.00 0.00 0.00 175.76 176.88 2jva s ILE 20 N -1.24 1.50 0.19 0.00 1.01 0.35 -4.77 121.20 118.24 2jva s ILE 20 Ca 0.24 -2.10 0.07 0.00 0.00 0.00 0.00 60.65 58.86 2jva s ILE 20 Cb -0.12 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2jva s ILE 20 CO 0.16 -0.30 0.03 -0.13 0.00 0.00 0.00 174.94 174.69 2jva s ARG 21 N -3.76 2.49 0.37 2.79 0.52 -1.26 -4.59 118.95 115.51 2jva s ARG 21 Ca 0.29 -1.11 0.06 0.00 -0.52 0.00 0.00 55.73 54.45 2jva s ARG 21 Cb 0.04 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 33.05 2jva s ARG 21 CO 0.11 0.45 0.02 0.00 0.02 0.00 0.00 175.30 175.90 2jva s ALA 22 N -1.82 2.79 0.21 2.13 0.00 -1.26 -5.02 121.76 118.79 2jva s ALA 22 Ca 0.29 -2.18 -0.27 0.00 0.00 0.00 0.00 51.96 49.80 2jva s ALA 22 Cb -0.09 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 2jva s ALA 22 CO 0.20 -0.19 0.85 -0.65 0.00 0.00 0.00 175.76 175.97 2jva s GLN 23 N -3.78 4.66 0.00 0.00 -0.21 -1.26 -4.72 119.66 114.35 2jva s GLN 23 Ca 0.35 1.28 0.00 0.00 0.02 0.00 0.00 55.36 57.01 2jva s GLN 23 Cb 0.09 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.90 2jva s GLN 23 CO 0.17 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 2jva n GLY 24 N 1.39 3.57 2.41 3.09 0.00 -1.26 -4.80 105.19 109.59 2jva n GLY 24 Ca -0.03 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.00 -0.61 0.00 4.61 0.00 -0.84 -4.87 120.51 115.80 2jva n ALA 25 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2jva n ALA 25 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 -0.98 3.45 0.00 0.00 0.00 -0.77 -4.98 105.19 101.91 2jva n GLY 26 Ca -0.24 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.98 1.51 1.56 -0.02 0.00 -1.26 -4.72 105.19 101.28 2jva n GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.90 -2.57 0.00 1.61 -0.06 -1.26 -4.57 117.38 109.63 2jva n GLN 28 Ca 0.00 2.11 0.00 0.00 -2.00 0.00 0.00 57.00 57.11 2jva n GLN 28 Cb 0.00 -2.44 0.00 0.00 -4.06 0.00 0.00 30.24 23.74 2jva n GLN 28 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2jva n ASN 29 N 0.90 0.00 -4.29 1.69 2.85 -1.26 -4.91 115.26 110.24 2jva n ASN 29 Ca 0.00 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 54.02 2jva n ASN 29 Cb 0.00 -0.23 -0.05 0.00 1.24 0.00 0.00 39.78 40.75 2jva n ASN 29 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2jva s VAL 30 N -1.35 5.10 -0.07 3.44 -7.23 -1.26 -4.77 120.40 114.26 2jva s VAL 30 Ca 0.00 -2.01 0.10 0.00 -1.81 0.00 0.00 61.98 58.26 2jva s VAL 30 Cb 0.00 -4.23 0.15 0.00 0.56 0.00 0.00 36.38 32.85 2jva s VAL 30 CO 0.00 -0.92 1.04 0.59 -0.31 0.00 0.00 175.10 175.50 2jva n ASN 31 N 4.59 1.72 -4.27 4.85 3.02 -1.26 -1.84 115.26 122.07 2jva n ASN 31 Ca -0.01 -2.48 -0.23 0.00 -0.03 0.00 0.00 54.58 51.83 2jva n ASN 31 Cb 0.43 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 39.22 2jva n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jva s LYS 32 N -1.74 1.09 0.03 3.52 -0.14 -1.26 -4.29 119.74 116.95 2jva s LYS 32 Ca 0.16 -1.14 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 2jva s LYS 32 Cb 0.14 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.93 2jva s LYS 32 CO 0.02 0.30 1.20 0.08 -0.76 0.00 0.00 175.35 176.19 2jva s VAL 33 N -1.22 4.08 1.08 3.17 1.01 -1.26 -4.70 120.40 122.57 2jva s VAL 33 Ca 0.06 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.35 2jva s VAL 33 Cb -0.10 -3.95 0.23 0.00 0.00 0.00 0.00 36.38 32.57 2jva s VAL 33 CO 0.04 0.08 1.17 -0.44 0.00 0.00 0.00 175.10 175.95 2jva s SER 34 N 1.19 2.02 0.00 3.32 0.01 -1.26 -4.98 113.70 114.00 2jva s SER 34 Ca 0.58 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2jva s SER 34 Cb -0.28 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.04 2jva s SER 34 CO 0.27 -3.45 0.57 -1.54 0.41 0.00 0.00 173.24 169.51 2jva n SER 35 N -4.31 0.00 -3.15 2.44 3.41 -1.24 -4.60 113.62 106.18 2jva n SER 35 Ca 0.12 0.70 -0.19 0.00 -0.26 0.00 0.00 58.87 59.25 2jva n SER 35 Cb 0.59 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jva n ALA 36 N -1.65 -2.64 -2.63 7.33 0.00 -1.08 -4.35 120.51 115.49 2jva n ALA 36 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 53.44 53.75 2jva n ALA 36 Cb 0.00 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 16.94 2jva n ALA 36 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jva s MET 37 N -2.22 2.36 -0.31 0.00 -1.94 0.21 -0.50 119.30 116.89 2jva s MET 37 Ca 0.24 -0.91 -0.15 0.00 -1.71 0.00 0.00 55.69 53.17 2jva s MET 37 Cb -0.04 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.35 2jva s MET 37 CO 0.72 0.53 0.36 -1.58 -0.01 0.00 0.00 175.02 175.04 2jva s HIS 38 N -1.23 3.22 -0.26 -0.03 5.04 0.12 -0.77 115.29 121.38 2jva s HIS 38 Ca 0.23 0.16 -0.07 0.00 -1.54 0.00 0.00 55.06 53.84 2jva s HIS 38 Cb -0.11 -2.63 -0.02 0.00 0.04 0.00 0.00 32.58 29.86 2jva s HIS 38 CO 0.15 -0.34 0.07 -0.51 -2.34 0.00 0.00 174.74 171.77 2jva s LEU 39 N 2.05 3.54 -0.11 8.88 2.01 -0.10 -1.11 118.68 133.83 2jva s LEU 39 Ca 0.13 -0.34 0.01 0.00 0.01 0.00 0.00 54.13 53.95 2jva s LEU 39 Cb -0.16 -1.91 0.02 0.00 0.01 0.00 0.00 46.19 44.14 2jva s LEU 39 CO 0.11 -0.08 -0.13 -0.60 1.01 0.00 0.00 176.35 176.66 2jva s ARG 40 N 1.59 2.06 -0.26 1.70 3.52 -0.59 -1.25 118.95 125.72 2jva s ARG 40 Ca 0.06 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2jva s ARG 40 Cb -0.16 -1.83 0.08 0.00 -1.56 0.00 0.00 34.95 31.48 2jva s ARG 40 CO 0.03 -0.13 0.06 0.12 -0.81 0.00 0.00 175.30 174.58 2jva s PHE 41 N 1.19 1.44 -1.01 5.12 5.36 0.98 -1.28 117.98 129.77 2jva s PHE 41 Ca -0.03 -1.37 -0.23 0.00 -0.96 0.00 0.00 56.93 54.34 2jva s PHE 41 Cb -0.14 -1.41 0.03 0.00 -0.34 0.00 0.00 43.02 41.17 2jva s PHE 41 CO -0.04 -0.77 1.53 -0.51 -1.46 0.00 0.00 175.22 173.97 2jva s ASP 42 N 1.71 6.29 0.25 6.13 1.11 -1.26 -0.29 116.67 130.62 2jva s ASP 42 Ca 0.04 -1.35 -0.04 0.00 0.18 0.00 0.00 52.55 51.39 2jva s ASP 42 Cb -0.17 -2.57 0.39 0.00 1.07 0.00 0.00 42.92 41.63 2jva s ASP 42 CO -0.18 -1.70 1.85 0.40 1.18 0.00 0.00 175.17 176.72 2jva h ILE 43 N 6.85 1.01 -0.40 0.77 2.04 -1.33 0.43 117.51 126.89 2jva h ILE 43 Ca 0.19 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.78 2jva h ILE 43 Cb 1.01 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2jva h ILE 43 CO 1.40 0.18 0.05 -1.13 0.00 0.00 0.00 178.15 178.64 2jva h ASN 44 N 0.97 -0.06 1.17 1.72 -0.73 -1.16 -2.88 115.58 114.62 2jva h ASN 44 Ca 0.40 0.08 -0.10 0.00 1.87 0.00 0.00 56.30 58.55 2jva h ASN 44 Cb 0.25 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2jva h ASN 44 CO -0.20 0.01 -0.87 0.00 -0.37 0.00 0.00 177.43 176.00 2jva h ALA 45 N 1.32 0.67 -2.55 1.57 0.00 -1.63 -3.47 119.26 115.17 2jva h ALA 45 Ca 0.19 -0.46 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 2jva h ALA 45 Cb 0.25 0.07 0.15 0.00 0.00 0.00 0.00 17.79 18.27 2jva h ALA 45 CO -0.28 0.54 0.35 -1.54 0.00 0.00 0.00 179.25 178.33 2jva s SER 46 N -5.98 4.11 0.00 0.00 1.04 0.14 -4.88 113.70 108.14 2jva s SER 46 Ca 0.01 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.67 2jva s SER 46 Cb 0.08 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2jva s SER 46 CO 0.77 -2.31 0.63 -1.20 0.98 0.00 0.00 173.24 172.11 2jva n SER 47 N -3.03 0.70 -4.77 7.02 7.64 -1.26 -4.87 113.62 115.05 2jva n SER 47 Ca 0.12 -1.97 -0.40 0.00 1.01 0.00 0.00 58.87 57.63 2jva n SER 47 Cb 0.51 -0.35 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.29 4.18 0.38 -3.43 1.43 -1.26 -4.96 118.68 114.73 2jva s LEU 48 Ca 0.00 2.87 -0.28 0.00 -1.03 0.00 0.00 54.13 55.69 2jva s LEU 48 Cb 0.00 -3.87 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 2jva s LEU 48 CO 0.00 -1.03 1.50 -2.65 0.23 0.00 0.00 176.35 174.40 2jva n PRO 49 N 0.02 2.69 -0.17 1.29 -0.02 -1.26 -4.85 135.00 132.71 2jva n PRO 49 Ca 0.04 0.95 0.25 0.00 -2.02 0.00 0.00 63.50 62.71 2jva n PRO 49 Cb 0.42 -2.68 0.66 0.00 -0.02 0.00 0.00 33.50 31.87 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 3.03 0.11 -0.16 0.52 0.13 -1.97 -0.62 132.00 133.04 2jva h PRO 50 Ca -0.51 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.66 2jva h PRO 50 Cb 1.24 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2jva h PRO 50 CO 0.65 0.07 -0.16 0.35 -0.23 0.00 0.00 178.00 178.68 2jva h PHE 51 N 0.11 -0.40 -0.48 1.56 3.57 -2.00 0.49 116.94 119.79 2jva h PHE 51 Ca 0.41 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.85 2jva h PHE 51 Cb 1.45 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 2jva h PHE 51 CO -0.00 -0.23 -0.04 1.88 -2.23 0.00 0.00 178.31 177.69 2jva h TYR 52 N -0.18 0.91 -0.52 0.41 0.05 -1.48 -2.15 116.97 114.01 2jva h TYR 52 Ca 0.11 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 2jva h TYR 52 Cb 0.34 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2jva h TYR 52 CO -0.29 0.85 0.32 0.87 -1.05 0.00 0.00 178.16 178.87 2jva h LYS 53 N 0.77 0.70 -0.35 4.88 1.57 -1.03 -0.70 116.57 122.40 2jva h LYS 53 Ca 0.14 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jva h LYS 53 Cb 0.53 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2jva h LYS 53 CO 0.03 0.49 0.21 0.93 -0.57 0.00 0.00 179.45 180.54 2jva h GLU 54 N 0.70 0.48 -0.30 3.15 5.08 -0.70 -1.19 114.58 121.81 2jva h GLU 54 Ca 0.19 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2jva h GLU 54 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2jva h GLU 54 CO -0.04 0.38 0.17 0.00 -1.00 0.00 0.00 179.01 178.52 2jva h ARG 55 N 0.46 0.34 -0.40 2.33 2.47 -1.00 0.89 114.38 119.47 2jva h ARG 55 Ca 0.13 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 2jva h ARG 55 Cb 0.02 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2jva h ARG 55 CO -0.02 0.23 0.08 -0.07 0.56 0.00 0.00 179.97 180.74 2jva h LEU 56 N 0.35 0.62 -0.73 3.04 3.38 -1.03 -2.73 115.31 118.22 2jva h LEU 56 Ca 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2jva h LEU 56 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2jva h LEU 56 CO -0.06 0.71 0.42 0.25 0.09 0.00 0.00 178.44 179.86 2jva h LEU 57 N 0.50 0.88 -1.67 1.67 6.46 -0.98 -2.54 115.31 119.64 2jva h LEU 57 Ca 0.12 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2jva h LEU 57 Cb 0.35 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2jva h LEU 57 CO 0.01 0.70 0.02 0.00 -0.62 0.00 0.00 178.44 178.54 2jva n ALA 58 N -2.34 2.85 -1.90 1.25 0.00 0.29 -4.87 120.51 115.79 2jva n ALA 58 Ca 0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 2jva n ALA 58 Cb 0.07 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.63 2.97 -0.04 0.00 1.98 -0.96 -4.95 118.68 117.04 2jva s LEU 59 Ca 0.12 1.14 0.10 0.00 -2.89 0.00 0.00 54.13 52.60 2jva s LEU 59 Cb 0.09 -3.97 0.37 0.00 0.66 0.00 0.00 46.19 43.35 2jva s LEU 59 CO 0.03 -1.26 1.24 -3.20 -1.89 0.00 0.00 176.35 171.27 2jva n ASN 60 N -2.95 2.55 -4.86 3.68 5.15 -1.26 -4.88 115.26 112.69 2jva n ASN 60 Ca 0.07 -2.17 -0.37 0.00 -0.60 0.00 0.00 54.58 51.51 2jva n ASN 60 Cb 0.57 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.38 2jva n ASN 60 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jva s ASP 61 N -0.79 6.61 0.00 1.20 2.15 -1.26 -4.98 116.67 119.60 2jva s ASP 61 Ca 0.27 0.73 0.18 0.00 0.43 0.00 0.00 52.55 54.16 2jva s ASP 61 Cb 0.16 -2.16 0.36 0.00 -0.30 0.00 0.00 42.92 40.99 2jva s ASP 61 CO 0.14 0.31 1.29 -1.20 -0.17 0.00 0.00 175.17 175.54 2jva n SER 62 N 1.60 3.14 -0.08 -0.34 7.64 -1.26 -4.11 113.62 120.21 2jva n SER 62 Ca -0.14 -1.91 -0.11 0.00 1.01 0.00 0.00 58.87 57.72 2jva n SER 62 Cb 0.53 -0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 63.35 2jva n SER 62 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jva n ARG 63 N 1.13 0.67 -2.02 1.43 3.00 -1.26 -4.75 116.66 114.86 2jva n ARG 63 Ca 0.16 0.10 -0.43 0.00 -0.01 0.00 0.00 57.85 57.67 2jva n ARG 63 Cb 0.51 -1.60 -0.03 0.00 0.00 0.00 0.00 32.46 31.35 2jva n ARG 63 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jva s ILE 64 N -2.52 3.49 0.61 0.55 1.01 -1.26 -4.79 121.20 118.28 2jva s ILE 64 Ca -0.12 0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 2jva s ILE 64 Cb 0.07 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2jva s ILE 64 CO 0.80 -0.47 1.14 0.42 0.00 0.00 0.00 174.94 176.83 2jva s THR 65 N 6.98 3.07 -1.72 2.92 -4.23 -1.25 -4.90 115.64 116.50 2jva s THR 65 Ca 0.78 0.59 0.26 0.00 -1.18 0.00 0.00 61.69 62.14 2jva s THR 65 Cb -0.21 -3.16 0.61 0.00 1.34 0.00 0.00 72.50 71.07 2jva s THR 65 CO 0.33 -0.22 1.91 -1.54 -0.54 0.00 0.00 174.62 174.56 2jva n SER 66 N -1.85 0.00 0.02 3.99 3.41 -1.26 -1.70 113.62 116.23 2jva n SER 66 Ca 0.12 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.38 2jva n SER 66 Cb 0.51 -0.14 0.11 0.00 -0.26 0.00 0.00 64.21 64.43 2jva n SER 66 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jva n ASP 67 N -1.14 0.63 -0.80 4.04 9.92 -1.26 -4.98 116.55 122.95 2jva n ASP 67 Ca 0.16 -0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2jva n ASP 67 Cb 0.15 0.52 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 2jva n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jva n GLY 68 N 1.41 0.58 2.93 0.44 0.00 -0.69 -4.48 105.19 105.38 2jva n GLY 68 Ca 0.03 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.85 0.96 -0.38 1.61 1.01 -1.26 -0.74 120.40 118.74 2jva s VAL 69 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 2jva s VAL 69 Cb 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2jva s VAL 69 CO 0.00 0.34 0.39 -0.63 0.00 0.00 0.00 175.10 175.20 2jva s ILE 70 N 1.34 5.15 -0.18 2.22 -1.09 0.60 -3.83 121.20 125.41 2jva s ILE 70 Ca -0.02 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.17 2jva s ILE 70 Cb -0.14 -3.93 0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2jva s ILE 70 CO -0.04 -0.26 0.03 -0.69 -1.23 0.00 0.00 174.94 172.75 2jva s VAL 71 N 2.03 0.52 0.24 2.92 1.01 -1.25 -0.02 120.40 125.86 2jva s VAL 71 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2jva s VAL 71 Cb -0.17 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2jva s VAL 71 CO 0.12 -0.13 0.08 -0.76 0.00 0.00 0.00 175.10 174.41 2jva s LEU 72 N 1.87 1.70 -0.25 3.92 1.02 -0.38 -4.99 118.68 121.57 2jva s LEU 72 Ca -0.00 -1.35 -0.00 0.00 0.02 0.00 0.00 54.13 52.80 2jva s LEU 72 Cb -0.16 0.02 0.07 0.00 0.02 0.00 0.00 46.19 46.14 2jva s LEU 72 CO -0.08 -0.70 0.01 -0.54 0.02 0.00 0.00 176.35 175.06 2jva s LYS 73 N -4.02 1.19 -0.32 1.70 1.02 -1.26 -0.92 119.74 117.14 2jva s LYS 73 Ca 0.35 -0.94 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 2jva s LYS 73 Cb 0.07 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2jva s LYS 73 CO 0.12 -0.72 0.29 0.00 -0.92 0.00 0.00 175.35 174.12 2jva s ALA 74 N 1.51 3.51 -0.15 5.17 0.00 0.05 -4.84 121.76 127.01 2jva s ALA 74 Ca -0.00 -1.20 0.14 0.00 0.00 0.00 0.00 51.96 50.90 2jva s ALA 74 Cb -0.18 -2.69 0.36 0.00 0.00 0.00 0.00 23.12 20.61 2jva s ALA 74 CO -0.11 -0.89 1.18 0.00 0.00 0.00 0.00 175.76 175.95 2jva n GLN 75 N 5.22 1.24 -0.04 0.00 10.64 -1.26 -0.62 117.38 132.56 2jva n GLN 75 Ca -0.11 -2.82 -0.15 0.00 -1.83 0.00 0.00 57.00 52.08 2jva n GLN 75 Cb 0.50 -1.35 -0.08 0.00 -0.86 0.00 0.00 30.24 28.44 2jva n GLN 75 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2jva h GLN 76 N 0.64 0.43 -6.58 2.61 5.75 -1.96 -3.44 115.11 112.56 2jva h GLN 76 Ca -0.02 -0.32 -0.49 0.00 -0.15 0.00 0.00 58.65 57.67 2jva h GLN 76 Cb 1.12 0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.73 2jva h GLN 76 CO 0.01 0.95 -0.14 -0.47 -2.65 0.00 0.00 178.83 176.53 2jva s TYR 77 N -3.78 3.51 0.05 3.99 6.14 -1.26 -5.02 117.35 120.98 2jva s TYR 77 Ca -0.14 0.47 -0.19 0.00 0.64 0.00 0.00 57.07 57.85 2jva s TYR 77 Cb 0.05 -1.99 -0.14 0.00 0.42 0.00 0.00 41.96 40.30 2jva s TYR 77 CO 0.79 0.07 1.34 -0.09 0.64 0.00 0.00 175.55 178.30 2jva h ARG 78 N 0.83 0.44 -6.02 4.97 1.12 -1.98 -3.37 114.38 110.37 2jva h ARG 78 Ca -0.49 -0.25 -0.60 0.00 -1.11 0.00 0.00 59.98 57.53 2jva h ARG 78 Cb 1.21 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.15 2jva h ARG 78 CO 0.62 0.83 -0.42 0.95 -3.11 0.00 0.00 179.97 178.85 2jva s THR 79 N -4.21 5.29 -0.02 0.20 -4.23 -1.26 -3.64 115.64 107.77 2jva s THR 79 Ca -0.14 -0.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.93 2jva s THR 79 Cb 0.06 -3.63 -0.20 0.00 1.34 0.00 0.00 72.50 70.08 2jva s THR 79 CO 0.78 0.10 1.23 1.56 -0.54 0.00 0.00 174.62 177.75 2jva h GLN 80 N 2.98 0.09 -0.63 3.99 4.20 -1.88 -1.63 115.11 122.23 2jva h GLN 80 Ca -0.45 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 2jva h GLN 80 Cb 1.16 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 2jva h GLN 80 CO 0.74 0.61 0.26 0.93 -0.67 0.00 0.00 178.83 180.71 2jva h GLU 81 N -0.42 0.91 -0.02 1.46 3.07 -1.98 0.58 114.58 118.18 2jva h GLU 81 Ca 0.00 -0.14 -0.18 0.00 -0.50 0.00 0.00 59.36 58.54 2jva h GLU 81 Cb 0.61 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2jva h GLU 81 CO 0.01 0.74 -0.79 1.96 -1.40 0.00 0.00 179.01 179.53 2jva h GLN 82 N 0.90 0.22 -0.30 2.33 1.08 -1.99 -1.81 115.11 115.54 2jva h GLN 82 Ca 0.21 -0.21 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 2jva h GLN 82 Cb 0.16 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2jva h GLN 82 CO -0.02 0.90 -0.40 -0.97 -0.95 0.00 0.00 178.83 177.38 2jva h ASN 83 N 0.14 0.77 0.22 1.46 -1.24 -0.44 -0.69 115.58 115.79 2jva h ASN 83 Ca -0.03 -0.35 0.01 0.00 0.71 0.00 0.00 56.30 56.64 2jva h ASN 83 Cb 1.38 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.17 2jva h ASN 83 CO 0.12 1.08 -0.37 -0.09 -1.29 0.00 0.00 177.43 176.88 2jva h ARG 84 N 0.59 -0.64 -0.92 6.67 2.43 0.24 0.11 114.38 122.85 2jva h ARG 84 Ca 0.05 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 2jva h ARG 84 Cb 0.95 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 2jva h ARG 84 CO 0.09 -0.43 0.58 0.00 -1.51 0.00 0.00 179.97 178.70 2jva h ALA 85 N -0.15 1.31 0.09 2.80 0.00 -1.23 -0.87 119.26 121.21 2jva h ALA 85 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jva h ALA 85 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jva h ALA 85 CO -0.16 0.28 -0.04 0.22 0.00 0.00 0.00 179.25 179.55 2jva h ASP 86 N 1.00 -0.10 -0.73 0.00 3.58 -0.81 -1.24 116.42 118.12 2jva h ASP 86 Ca 0.42 -0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.83 2jva h ASP 86 Cb 0.27 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 2jva h ASP 86 CO -0.21 0.06 0.39 0.00 -2.88 0.00 0.00 179.24 176.61 2jva h ALA 87 N 0.65 1.00 -0.43 -0.78 0.00 -0.35 0.43 119.26 119.78 2jva h ALA 87 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jva h ALA 87 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jva h ALA 87 CO 0.02 0.04 0.14 -0.07 0.00 0.00 0.00 179.25 179.38 2jva h LEU 88 N 0.69 0.62 -0.49 0.00 3.38 -1.02 0.14 115.31 118.63 2jva h LEU 88 Ca 0.34 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2jva h LEU 88 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2jva h LEU 88 CO -0.23 0.65 -0.06 0.25 0.09 0.00 0.00 178.44 179.14 2jva h LEU 89 N 0.55 0.91 -0.71 1.67 5.85 -0.58 -0.55 115.31 122.44 2jva h LEU 89 Ca 0.14 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2jva h LEU 89 Cb 0.25 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jva h LEU 89 CO -0.01 1.03 0.37 -0.09 -0.34 0.00 0.00 178.44 179.41 2jva h ARG 90 N 0.77 1.00 0.07 1.25 2.43 0.06 0.32 114.38 120.28 2jva h ARG 90 Ca 0.13 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jva h ARG 90 Cb 0.60 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2jva h ARG 90 CO 0.04 0.76 -0.04 1.25 -1.51 0.00 0.00 179.97 180.48 2jva h LEU 91 N 0.98 -0.08 -0.74 3.80 5.85 -0.54 -1.85 115.31 122.73 2jva h LEU 91 Ca 0.25 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2jva h LEU 91 Cb 0.07 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2jva h LEU 91 CO -0.04 0.18 0.42 -1.28 -0.34 0.00 0.00 178.44 177.39 2jva h SER 92 N -0.36 0.62 0.05 1.25 0.87 -0.92 -1.32 113.55 113.74 2jva h SER 92 Ca -0.01 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2jva h SER 92 Cb 0.31 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2jva h SER 92 CO 0.02 0.39 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.53 2jva h GLU 93 N 0.75 -0.18 -0.62 2.24 4.81 -0.86 -2.64 114.58 118.09 2jva h GLU 93 Ca 0.34 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.69 2jva h GLU 93 Cb 0.23 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 2jva h GLU 93 CO -0.20 -0.12 0.17 1.25 -0.73 0.00 0.00 179.01 179.38 2jva h LEU 94 N -0.19 0.08 -0.02 1.64 7.12 -0.57 0.52 115.31 123.89 2jva h LEU 94 Ca 0.02 0.10 0.03 0.00 0.13 0.00 0.00 57.88 58.16 2jva h LEU 94 Cb 0.20 0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.42 2jva h LEU 94 CO -0.06 0.04 -0.17 0.40 -0.13 0.00 0.00 178.44 178.53 2jva h ILE 95 N 0.31 0.58 -0.09 4.05 2.04 -0.96 0.96 117.51 124.41 2jva h ILE 95 Ca 0.32 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 66.03 2jva h ILE 95 Cb 0.47 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2jva h ILE 95 CO -0.38 0.00 -0.54 0.58 0.00 0.00 0.00 178.15 177.81 2jva h VAL 96 N -0.27 1.37 -0.46 1.67 2.07 -1.07 -3.13 116.25 116.43 2jva h VAL 96 Ca 0.06 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 2jva h VAL 96 Cb 0.35 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2jva h VAL 96 CO -0.18 0.56 0.17 -1.13 0.02 0.00 0.00 177.57 177.01 2jva h ASN 97 N 0.12 0.65 1.15 0.57 -1.24 0.15 -2.50 115.58 114.47 2jva h ASN 97 Ca -0.04 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2jva h ASN 97 Cb 1.19 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.08 2jva h ASN 97 CO 0.11 0.65 0.00 0.00 -1.29 0.00 0.00 177.43 176.91 2jva h ALA 98 N 1.02 1.00 -0.06 1.57 0.00 -0.91 -3.09 119.26 118.79 2jva h ALA 98 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2jva h ALA 98 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jva h ALA 98 CO -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.86 2jva h ALA 99 N 2.33 1.26 0.00 0.00 0.00 -1.38 -2.79 119.26 118.68 2jva h ALA 99 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jva h ALA 99 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jva h ALA 99 CO 0.00 0.52 -0.65 1.63 0.00 0.00 0.00 179.25 180.75 2jva n LYS 100 N -4.07 0.07 -2.42 0.00 4.01 -1.17 -4.85 118.16 109.73 2jva n LYS 100 Ca -0.02 0.01 -0.41 0.00 -0.51 0.00 0.00 58.31 57.38 2jva n LYS 100 Cb 0.43 -1.53 -0.03 0.00 -0.51 0.00 0.00 35.03 33.39 2jva n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jva s LEU 101 N -3.26 3.35 -0.10 -0.35 1.43 -1.05 -4.70 118.68 114.01 2jva s LEU 101 Ca 0.09 0.12 0.10 0.00 -1.03 0.00 0.00 54.13 53.42 2jva s LEU 101 Cb 0.16 -2.93 -0.15 0.00 0.03 0.00 0.00 46.19 43.30 2jva s LEU 101 CO 0.74 -1.75 0.08 -1.84 0.23 0.00 0.00 176.35 173.80 2jva n GLU 102 N 8.81 1.86 -2.64 1.70 -0.00 -1.26 -4.76 120.64 124.36 2jva n GLU 102 Ca 0.11 -0.02 -0.43 0.00 -0.00 0.00 0.00 57.16 56.81 2jva n GLU 102 Cb 0.49 -1.29 -0.00 0.00 -0.00 0.00 0.00 31.44 30.64 2jva n GLU 102 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jva s HIS 103 N -2.37 2.90 -0.61 -1.84 3.76 -1.26 -4.96 115.29 110.91 2jva s HIS 103 Ca -0.05 -1.69 -0.27 0.00 -0.15 0.00 0.00 55.06 52.90 2jva s HIS 103 Cb 0.04 -4.68 0.04 0.00 1.11 0.00 0.00 32.58 29.08 2jva s HIS 103 CO 0.47 -1.74 1.14 -3.38 -0.85 0.00 0.00 174.74 170.38 2jva s HIS 104 N 3.80 2.59 0.19 1.40 -3.43 -1.26 -5.00 115.29 113.57 2jva s HIS 104 Ca 0.52 0.16 -0.30 0.00 -0.80 0.00 0.00 55.06 54.64 2jva s HIS 104 Cb 0.03 -4.42 -0.08 0.00 -1.43 0.00 0.00 32.58 26.68 2jva s HIS 104 CO 0.06 -1.63 1.08 -1.01 -2.00 0.00 0.00 174.74 171.24 2jva s HIS 105 N 4.81 3.63 -1.22 0.38 3.76 -1.26 -4.93 115.29 120.47 2jva s HIS 105 Ca 0.37 1.65 -0.21 0.00 -0.15 0.00 0.00 55.06 56.72 2jva s HIS 105 Cb -0.09 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 30.33 2jva s HIS 105 CO 0.21 -0.47 1.86 -3.38 -0.85 0.00 0.00 174.74 172.11 2jva s HIS 106 N -0.39 2.26 0.00 1.40 -3.43 -1.26 -4.69 115.29 109.18 2jva s HIS 106 Ca 0.48 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2jva s HIS 106 Cb -0.29 -4.29 0.00 0.00 -1.43 0.00 0.00 32.58 26.57 2jva s HIS 106 CO 0.35 -1.44 0.00 1.58 -2.00 0.00 0.00 174.74 173.23 2jva n HIS 107 N 12.13 0.00 0.00 0.38 -0.00 -1.26 -5.29 115.22 121.18 2jva n HIS 107 Ca 0.46 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.64 2jva n HIS 107 Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 2jva n HIS 107 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41