#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 3.80 -0.48 -0.89 2.96 0.47 -4.89 118.68 119.66 2jva s LEU 2 Ca 0.00 -1.07 -0.28 0.00 -0.22 0.00 0.00 54.13 52.56 2jva s LEU 2 Cb 0.00 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.21 2jva s LEU 2 CO 0.00 -1.55 1.10 -0.69 -1.32 0.00 0.00 176.35 173.89 2jva s VAL 3 N 4.72 4.25 -0.15 1.68 1.01 -1.26 -0.67 120.40 129.97 2jva s VAL 3 Ca 0.35 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2jva s VAL 3 Cb -0.07 -4.58 -0.23 0.00 0.00 0.00 0.00 36.38 31.50 2jva s VAL 3 CO 0.04 -0.99 0.22 -0.38 0.00 0.00 0.00 175.10 173.99 2jva n ILE 4 N 6.77 1.65 -4.00 2.22 5.41 -0.92 -5.02 119.36 125.47 2jva n ILE 4 Ca 0.11 -0.67 -0.10 0.00 1.00 0.00 0.00 62.75 63.09 2jva n ILE 4 Cb 0.49 -1.44 -0.05 0.00 -0.71 0.00 0.00 39.64 37.93 2jva n ILE 4 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2jva s SER 5 N -6.64 0.03 0.48 4.38 0.15 -0.69 -4.97 113.70 106.45 2jva s SER 5 Ca -0.22 -1.00 0.20 0.00 0.70 0.00 0.00 55.95 55.62 2jva s SER 5 Cb 0.07 0.61 1.19 0.00 -1.71 0.00 0.00 66.02 66.19 2jva s SER 5 CO 0.74 -1.19 2.02 -1.13 1.20 0.00 0.00 173.24 174.88 2jva h ASN 6 N 2.22 0.00 -0.28 5.45 -1.24 -2.03 -2.35 115.58 117.35 2jva h ASN 6 Ca -0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 2jva h ASN 6 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 2jva h ASN 6 CO 0.36 0.16 0.00 0.59 -1.29 0.00 0.00 177.43 177.25 2jva n ASN 7 N -4.02 2.81 -3.75 1.15 4.13 -1.26 -4.90 115.26 109.42 2jva n ASN 7 Ca -0.02 -1.85 -0.23 0.00 1.68 0.00 0.00 54.58 54.16 2jva n ASN 7 Cb 0.25 -0.18 -0.17 0.00 -1.54 0.00 0.00 39.78 38.13 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 -1.08 0.32 -0.02 2.41 1.01 -0.89 -5.02 120.40 117.14 2jva s VAL 8 Ca 0.25 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2jva s VAL 8 Cb 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2jva s VAL 8 CO 0.19 0.16 -0.07 -1.00 0.00 0.00 0.00 175.10 174.38 2jva s HIS 9 N 1.99 0.74 -0.25 5.22 3.76 -1.26 -1.70 115.29 123.78 2jva s HIS 9 Ca 0.04 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 54.77 2jva s HIS 9 Cb -0.13 -0.53 0.03 0.00 1.11 0.00 0.00 32.58 33.06 2jva s HIS 9 CO -0.06 -0.06 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.22 2jva s LEU 10 N 0.10 3.27 0.47 0.89 1.43 0.15 -4.77 118.68 120.22 2jva s LEU 10 Ca -0.01 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 51.98 2jva s LEU 10 Cb -0.06 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 2jva s LEU 10 CO -0.00 -0.14 1.25 -2.84 0.23 0.00 0.00 176.35 174.85 2jva s PRO 11 N 1.34 3.62 0.48 1.29 0.02 -1.26 -0.39 135.00 140.10 2jva s PRO 11 Ca 0.00 1.98 0.17 0.00 0.02 0.00 0.00 61.00 63.18 2jva s PRO 11 Cb -0.17 -2.44 1.17 0.00 0.02 0.00 0.00 34.50 33.08 2jva s PRO 11 CO -0.04 -0.72 2.05 -0.44 -0.33 0.00 0.00 177.00 177.52 2jva h ASP 12 N 2.01 0.00 0.16 2.53 3.32 -1.95 -1.41 116.42 121.09 2jva h ASP 12 Ca -0.50 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 2jva h ASP 12 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 2jva h ASP 12 CO 0.60 0.12 -0.03 0.00 -1.72 0.00 0.00 179.24 178.21 2jva h ALA 13 N 1.88 1.25 -0.29 3.45 0.00 -2.05 -1.72 119.26 121.78 2jva h ALA 13 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jva h ALA 13 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jva h ALA 13 CO 0.02 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2jva n GLU 14 N -3.49 1.71 -4.01 0.00 1.02 -0.53 -4.65 120.64 110.70 2jva n GLU 14 Ca -0.02 -1.10 -0.31 0.00 -0.02 0.00 0.00 57.16 55.70 2jva n GLU 14 Cb 0.13 -1.27 -0.16 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.62 1.70 -0.29 -3.67 1.01 -0.65 -4.42 121.20 113.26 2jva s ILE 15 Ca 0.23 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 2jva s ILE 15 Cb 0.12 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2jva s ILE 15 CO 0.16 0.19 0.17 -0.70 0.00 0.00 0.00 174.94 174.76 2jva s GLU 16 N 1.37 3.70 -0.40 2.79 2.56 -0.92 -5.00 118.70 122.80 2jva s GLU 16 Ca -0.01 -0.48 -0.15 0.00 0.00 0.00 0.00 54.97 54.33 2jva s GLU 16 Cb -0.16 -3.60 0.01 0.00 2.00 0.00 0.00 34.13 32.39 2jva s GLU 16 CO -0.08 -0.27 0.31 -0.51 -0.56 0.00 0.00 175.26 174.14 2jva s LEU 17 N 1.70 5.00 0.05 2.70 2.01 -1.26 -2.01 118.68 126.87 2jva s LEU 17 Ca 0.06 -0.81 0.02 0.00 0.01 0.00 0.00 54.13 53.42 2jva s LEU 17 Cb -0.16 -2.18 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 2jva s LEU 17 CO 0.08 -0.43 0.05 -0.89 1.01 0.00 0.00 176.35 176.17 2jva s THR 18 N 1.73 4.39 -0.16 5.49 2.01 0.12 -4.97 115.64 124.25 2jva s THR 18 Ca 0.06 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 2jva s THR 18 Cb -0.19 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2jva s THR 18 CO 0.10 0.21 0.06 0.00 -0.69 0.00 0.00 174.62 174.31 2jva s ALA 19 N -1.28 3.44 -0.50 7.40 0.00 -1.26 0.60 121.76 130.16 2jva s ALA 19 Ca 0.26 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.28 2jva s ALA 19 Cb -0.12 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.21 2jva s ALA 19 CO 0.18 0.31 0.65 0.42 0.00 0.00 0.00 175.76 177.31 2jva s ILE 20 N -0.02 4.84 0.50 0.00 1.01 0.80 -4.85 121.20 123.47 2jva s ILE 20 Ca 0.06 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2jva s ILE 20 Cb -0.12 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 2jva s ILE 20 CO 0.01 -0.80 1.03 0.00 0.00 0.00 0.00 174.94 175.18 2jva s ARG 21 N 2.73 3.77 -0.28 2.79 1.70 -1.26 -4.34 118.95 124.05 2jva s ARG 21 Ca 0.17 1.30 -0.20 0.00 -0.47 0.00 0.00 55.73 56.53 2jva s ARG 21 Cb -0.18 -2.09 -0.02 0.00 -0.57 0.00 0.00 34.95 32.09 2jva s ARG 21 CO 0.13 -0.45 0.60 0.00 -1.08 0.00 0.00 175.30 174.49 2jva s ALA 22 N -2.10 3.57 0.30 7.88 0.00 -1.26 -4.88 121.76 125.27 2jva s ALA 22 Ca 0.66 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 2jva s ALA 22 Cb -0.15 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 2jva s ALA 22 CO 0.22 -0.93 1.12 1.14 0.00 0.00 0.00 175.76 177.32 2jva s GLN 23 N 2.50 4.56 -0.30 0.00 -2.07 -1.26 -4.89 119.66 118.20 2jva s GLN 23 Ca 0.24 1.83 -0.01 0.00 -1.82 0.00 0.00 55.36 55.60 2jva s GLN 23 Cb -0.15 -3.12 0.19 0.00 -1.09 0.00 0.00 33.01 28.84 2jva s GLN 23 CO 0.10 0.13 0.63 0.20 -1.32 0.00 0.00 175.29 175.04 2jva s GLY 24 N -0.89 -1.01 -0.10 2.60 0.00 -1.26 -5.04 107.32 101.62 2jva s GLY 24 Ca 0.46 1.76 -0.14 0.00 0.00 0.00 0.00 44.72 46.81 2jva s GLY 24 CO 0.41 3.47 0.33 0.00 0.00 0.00 0.00 173.10 177.31 2jva s ALA 25 N 2.86 3.65 0.00 3.20 0.00 -1.26 -4.59 121.76 125.62 2jva s ALA 25 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2jva s ALA 25 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2jva s ALA 25 CO -0.21 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2jva n GLY 26 N 2.70 2.85 0.00 0.00 0.00 -1.26 -5.01 105.19 104.46 2jva n GLY 26 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -0.05 3.76 -0.02 0.00 -1.26 -5.12 105.19 102.50 2jva n GLY 27 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 2.29 0.00 1.61 2.00 -1.26 -4.48 119.66 119.83 2jva s GLN 28 Ca 0.00 -1.77 0.00 0.00 -2.00 0.00 0.00 55.36 51.59 2jva s GLN 28 Cb 0.00 -2.07 0.00 0.00 0.80 0.00 0.00 33.01 31.74 2jva s GLN 28 CO 0.00 -0.11 0.00 -1.71 -0.50 0.00 0.00 175.29 172.97 2jva n ASN 29 N -1.29 0.00 -0.66 6.67 5.15 -1.26 -4.56 115.26 119.31 2jva n ASN 29 Ca -0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.05 2jva n ASN 29 Cb 0.64 -0.32 0.20 0.00 -0.53 0.00 0.00 39.78 39.77 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 -1.78 1.89 -0.90 3.44 0.24 -1.26 -4.52 118.33 115.43 2jva n VAL 30 Ca 0.00 -1.71 0.07 0.00 -2.04 0.00 0.00 64.34 60.66 2jva n VAL 30 Cb 0.00 -0.06 0.41 0.00 -1.47 0.00 0.00 33.84 32.72 2jva n VAL 30 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jva n ASN 31 N -0.45 5.77 -4.64 -1.34 5.15 -1.26 -4.26 115.26 114.23 2jva n ASN 31 Ca 0.17 -2.93 -0.40 0.00 -0.60 0.00 0.00 54.58 50.82 2jva n ASN 31 Cb 0.72 -0.69 -0.06 0.00 -0.53 0.00 0.00 39.78 39.22 2jva n ASN 31 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2jva s LYS 32 N -2.76 4.15 0.30 1.20 2.20 -1.26 -5.04 119.74 118.53 2jva s LYS 32 Ca 0.55 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 2jva s LYS 32 Cb 0.42 -3.62 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 2jva s LYS 32 CO 0.16 -0.32 1.19 0.08 -0.36 0.00 0.00 175.35 176.10 2jva s VAL 33 N 2.18 3.16 0.54 4.02 1.01 -1.26 -4.53 120.40 125.51 2jva s VAL 33 Ca 0.26 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 2jva s VAL 33 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2jva s VAL 33 CO 0.09 0.28 0.88 -0.55 0.00 0.00 0.00 175.10 175.79 2jva s SER 34 N -0.72 6.22 0.00 3.32 0.15 -1.26 -4.92 113.70 116.48 2jva s SER 34 Ca 0.47 1.09 0.21 0.00 0.70 0.00 0.00 55.95 58.42 2jva s SER 34 Cb -0.35 -2.30 0.49 0.00 -1.71 0.00 0.00 66.02 62.15 2jva s SER 34 CO 0.46 -0.70 1.43 -1.20 1.20 0.00 0.00 173.24 174.42 2jva n SER 35 N -2.45 3.58 -4.67 5.45 7.64 -1.26 -4.86 113.62 117.05 2jva n SER 35 Ca 0.03 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.50 2jva n SER 35 Cb 0.55 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jva s ALA 36 N -1.22 3.61 0.07 -0.43 0.00 -1.26 -4.49 121.76 118.03 2jva s ALA 36 Ca 0.41 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2jva s ALA 36 Cb 0.22 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2jva s ALA 36 CO 0.30 -1.08 0.04 -1.64 0.00 0.00 0.00 175.76 173.38 2jva s MET 37 N 3.08 2.78 -0.17 0.00 -1.94 -0.09 -0.14 119.30 122.82 2jva s MET 37 Ca 0.62 -0.71 -0.00 0.00 -1.71 0.00 0.00 55.69 53.89 2jva s MET 37 Cb -0.28 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 33.89 2jva s MET 37 CO 0.23 0.57 -0.14 -1.58 -0.01 0.00 0.00 175.02 174.09 2jva s HIS 38 N -1.31 2.81 -0.13 -0.03 5.04 0.20 0.42 115.29 122.30 2jva s HIS 38 Ca 0.26 -1.10 -0.02 0.00 -1.54 0.00 0.00 55.06 52.67 2jva s HIS 38 Cb -0.12 -1.93 -0.02 0.00 0.04 0.00 0.00 32.58 30.55 2jva s HIS 38 CO 0.19 -0.53 -0.08 -0.51 -2.34 0.00 0.00 174.74 171.47 2jva s LEU 39 N 0.99 3.04 -0.17 8.88 1.02 -1.19 0.13 118.68 131.39 2jva s LEU 39 Ca -0.02 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 53.96 2jva s LEU 39 Cb -0.15 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.39 2jva s LEU 39 CO -0.03 0.21 -0.16 -0.60 0.02 0.00 0.00 176.35 175.80 2jva s ARG 40 N 0.12 2.49 -0.30 1.70 3.52 -0.85 -2.94 118.95 122.70 2jva s ARG 40 Ca -0.03 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2jva s ARG 40 Cb -0.14 -2.32 0.09 0.00 -1.56 0.00 0.00 34.95 31.02 2jva s ARG 40 CO 0.04 -0.26 0.05 0.12 -0.81 0.00 0.00 175.30 174.44 2jva s PHE 41 N 1.40 2.38 -0.67 5.12 5.36 -0.56 -2.18 117.98 128.84 2jva s PHE 41 Ca 0.04 -2.06 -0.27 0.00 -0.96 0.00 0.00 56.93 53.68 2jva s PHE 41 Cb -0.14 -2.00 0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2jva s PHE 41 CO -0.11 -0.87 1.52 -0.51 -1.46 0.00 0.00 175.22 173.79 2jva s ASP 42 N 1.39 5.82 0.53 6.13 1.11 -1.26 0.10 116.67 130.47 2jva s ASP 42 Ca 0.07 -0.07 0.19 0.00 0.18 0.00 0.00 52.55 52.92 2jva s ASP 42 Cb -0.18 -2.55 1.33 0.00 1.07 0.00 0.00 42.92 42.59 2jva s ASP 42 CO -0.16 -2.03 2.11 0.40 1.18 0.00 0.00 175.17 176.66 2jva h ILE 43 N 6.39 0.90 -0.11 0.77 2.04 -0.81 -1.01 117.51 125.69 2jva h ILE 43 Ca -0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2jva h ILE 43 Cb 1.10 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2jva h ILE 43 CO 1.25 0.00 0.01 -1.13 0.00 0.00 0.00 178.15 178.27 2jva h ASN 44 N 0.00 0.18 -0.72 1.72 -0.73 -1.52 -3.29 115.58 111.23 2jva h ASN 44 Ca 0.08 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.96 2jva h ASN 44 Cb 0.31 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.86 2jva h ASN 44 CO -0.00 0.42 0.00 0.00 -0.37 0.00 0.00 177.43 177.48 2jva n ALA 45 N -2.28 2.38 -1.99 1.57 0.00 -0.89 -4.96 120.51 114.35 2jva n ALA 45 Ca -0.06 -1.28 -0.24 0.00 0.00 0.00 0.00 53.44 51.86 2jva n ALA 45 Cb 0.19 -0.93 0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.04 4.42 -0.04 0.00 1.04 -0.43 -4.97 113.70 112.68 2jva s SER 46 Ca 0.49 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.66 2jva s SER 46 Cb 0.26 -0.15 0.16 0.00 0.10 0.00 0.00 66.02 66.38 2jva s SER 46 CO 0.34 -1.80 0.77 -1.20 0.98 0.00 0.00 173.24 172.32 2jva n SER 47 N -2.81 1.83 -4.69 7.02 7.64 -1.26 -4.87 113.62 116.47 2jva n SER 47 Ca 0.14 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.43 2jva n SER 47 Cb 0.60 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.57 4.32 0.69 -3.43 1.43 -1.26 -4.81 118.68 115.04 2jva s LEU 48 Ca 0.11 2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 55.10 2jva s LEU 48 Cb 0.08 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2jva s LEU 48 CO 0.03 -0.66 1.23 -2.65 0.23 0.00 0.00 176.35 174.53 2jva n PRO 49 N 5.08 0.84 -0.27 1.29 -0.02 -1.26 -4.62 135.00 136.04 2jva n PRO 49 Ca 0.12 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 2jva n PRO 49 Cb 0.44 -2.46 0.22 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.13 0.24 -0.12 0.52 0.13 -1.98 0.26 132.00 131.18 2jva h PRO 50 Ca -0.49 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2jva h PRO 50 Cb 1.33 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2jva h PRO 50 CO 0.51 0.16 -0.17 0.35 -0.23 0.00 0.00 178.00 178.62 2jva h PHE 51 N 0.25 -0.43 -0.33 1.56 3.57 -1.99 0.20 116.94 119.76 2jva h PHE 51 Ca 0.47 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.91 2jva h PHE 51 Cb 0.86 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2jva h PHE 51 CO -0.27 -0.24 -0.11 1.88 -2.23 0.00 0.00 178.31 177.34 2jva h TYR 52 N -0.22 0.74 -0.52 0.41 0.05 -1.63 -1.72 116.97 114.09 2jva h TYR 52 Ca 0.09 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.74 2jva h TYR 52 Cb 0.35 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2jva h TYR 52 CO -0.28 0.84 0.27 -0.22 -1.05 0.00 0.00 178.16 177.73 2jva h LYS 53 N 0.43 0.52 0.00 4.88 3.64 -0.64 -0.06 116.57 125.35 2jva h LYS 53 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jva h LYS 53 Cb 0.62 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2jva h LYS 53 CO 0.04 0.34 -0.00 0.93 -2.27 0.00 0.00 179.45 178.49 2jva h GLU 54 N 0.54 -0.01 -0.81 1.90 4.39 -0.56 -2.00 114.58 118.03 2jva h GLU 54 Ca 0.22 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.95 2jva h GLU 54 Cb 0.11 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2jva h GLU 54 CO -0.14 0.09 0.52 -0.09 -1.16 0.00 0.00 179.01 178.23 2jva h ARG 55 N -0.10 0.98 -0.22 2.33 2.43 -0.87 0.99 114.38 119.92 2jva h ARG 55 Ca -0.00 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2jva h ARG 55 Cb 0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2jva h ARG 55 CO 0.00 0.65 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.04 2jva h LEU 56 N 1.01 0.39 -1.64 3.80 3.38 -0.98 -2.85 115.31 118.41 2jva h LEU 56 Ca 0.32 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jva h LEU 56 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2jva h LEU 56 CO -0.11 0.61 0.00 -0.07 0.09 0.00 0.00 178.44 178.96 2jva h LEU 57 N 0.16 0.00 -3.01 1.67 3.38 -0.81 -2.35 115.31 114.34 2jva h LEU 57 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jva h LEU 57 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jva h LEU 57 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2jva n ALA 58 N -2.03 3.08 -1.93 1.53 0.00 0.30 -4.91 120.51 116.54 2jva n ALA 58 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 53.44 51.63 2jva n ALA 58 Cb 0.24 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 18.80 2jva n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jva s LEU 59 N -1.78 2.69 -0.12 0.00 1.43 -0.88 -4.79 118.68 115.23 2jva s LEU 59 Ca 0.50 0.36 0.15 0.00 -1.03 0.00 0.00 54.13 54.12 2jva s LEU 59 Cb 0.32 -2.62 0.54 0.00 0.03 0.00 0.00 46.19 44.46 2jva s LEU 59 CO 0.24 -2.31 1.46 -3.20 0.23 0.00 0.00 176.35 172.77 2jva n ASN 60 N -3.47 4.02 -3.42 2.29 4.05 -1.26 -5.00 115.26 112.48 2jva n ASN 60 Ca 0.12 -2.62 -0.15 0.00 0.45 0.00 0.00 54.58 52.39 2jva n ASN 60 Cb 0.60 -0.49 0.09 0.00 1.23 0.00 0.00 39.78 41.21 2jva n ASN 60 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2jva n ASP 61 N 0.24 0.59 0.00 1.20 2.03 -1.26 -4.11 116.55 115.23 2jva n ASP 61 Ca 0.20 -1.57 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2jva n ASP 61 Cb 0.80 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2jva n ASP 61 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jva n SER 62 N -3.12 2.34 0.18 1.67 7.64 -1.26 -4.61 113.62 116.46 2jva n SER 62 Ca 0.10 -0.09 0.06 0.00 1.01 0.00 0.00 58.87 59.95 2jva n SER 62 Cb 0.35 0.64 0.24 0.00 -1.01 0.00 0.00 64.21 64.43 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 0.00 0.00 -5.23 1.43 2.47 -1.96 -3.41 114.38 107.69 2jva h ARG 63 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 2jva h ARG 63 Cb 0.00 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.16 2jva h ARG 63 CO 0.00 0.36 -0.02 0.42 0.56 0.00 0.00 179.97 181.29 2jva s ILE 64 N -3.34 4.97 0.40 2.04 1.01 -1.26 -3.73 121.20 121.29 2jva s ILE 64 Ca 0.02 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.63 2jva s ILE 64 Cb 0.09 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 2jva s ILE 64 CO 0.69 -0.36 0.89 0.42 0.00 0.00 0.00 174.94 176.58 2jva s THR 65 N 2.48 4.46 0.28 2.92 -4.23 -1.17 -4.86 115.64 115.52 2jva s THR 65 Ca 0.19 1.35 0.37 0.00 -1.18 0.00 0.00 61.69 62.42 2jva s THR 65 Cb -0.15 -3.61 0.40 0.00 1.34 0.00 0.00 72.50 70.48 2jva s THR 65 CO 0.15 -0.28 2.11 0.28 -0.54 0.00 0.00 174.62 176.34 2jva h SER 66 N 2.01 0.00 1.15 3.99 0.02 -1.91 -1.09 113.55 117.73 2jva h SER 66 Ca -0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 2jva h SER 66 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2jva h SER 66 CO 0.62 0.00 -0.28 -0.78 -1.14 0.00 0.00 176.83 175.25 2jva h ASP 67 N 0.00 0.00 0.00 3.07 3.58 -1.98 -3.47 116.42 117.62 2jva h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jva h ASP 67 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2jva h ASP 67 CO 0.00 0.28 0.00 0.61 -2.88 0.00 0.00 179.24 177.25 2jva n GLY 68 N 0.50 1.90 3.13 -0.78 0.00 -0.41 -4.75 105.19 104.78 2jva n GLY 68 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 1.71 -0.35 1.61 1.01 -1.25 -0.03 120.40 121.09 2jva s VAL 69 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 2jva s VAL 69 Cb 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2jva s VAL 69 CO 0.00 0.48 0.76 -0.63 0.00 0.00 0.00 175.10 175.71 2jva s ILE 70 N 0.57 4.77 -0.15 2.22 -1.09 0.11 -3.04 121.20 124.60 2jva s ILE 70 Ca -0.15 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 2jva s ILE 70 Cb -0.17 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2jva s ILE 70 CO 0.05 -0.37 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.56 2jva s VAL 71 N 3.00 1.60 0.26 2.92 1.01 -1.24 -1.49 120.40 126.44 2jva s VAL 71 Ca 0.30 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2jva s VAL 71 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2jva s VAL 71 CO 0.16 0.44 0.16 -0.76 0.00 0.00 0.00 175.10 175.09 2jva s LEU 72 N 1.47 1.45 -0.21 3.92 1.02 -1.15 -4.92 118.68 120.26 2jva s LEU 72 Ca 0.04 -1.49 -0.02 0.00 0.02 0.00 0.00 54.13 52.68 2jva s LEU 72 Cb -0.13 0.31 0.06 0.00 0.02 0.00 0.00 46.19 46.46 2jva s LEU 72 CO -0.11 -0.88 0.02 -0.54 0.02 0.00 0.00 176.35 174.86 2jva s LYS 73 N -3.93 0.90 -0.40 1.70 1.02 -1.26 -3.15 119.74 114.61 2jva s LYS 73 Ca 0.38 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 2jva s LYS 73 Cb 0.06 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2jva s LYS 73 CO 0.16 -0.65 0.93 0.00 -0.92 0.00 0.00 175.35 174.87 2jva s ALA 74 N 1.73 3.34 0.00 5.17 0.00 0.17 -4.81 121.76 127.37 2jva s ALA 74 Ca -0.02 -0.57 0.17 0.00 0.00 0.00 0.00 51.96 51.54 2jva s ALA 74 Cb -0.18 -3.58 0.28 0.00 0.00 0.00 0.00 23.12 19.65 2jva s ALA 74 CO -0.08 -1.77 1.10 0.00 0.00 0.00 0.00 175.76 175.01 2jva n GLN 75 N 6.92 0.00 0.01 0.00 10.64 -1.26 -0.92 117.38 132.78 2jva n GLN 75 Ca 0.07 -1.63 -0.12 0.00 -1.83 0.00 0.00 57.00 53.49 2jva n GLN 75 Cb 0.48 -0.08 0.01 0.00 -0.86 0.00 0.00 30.24 29.79 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 0.66 0.56 -6.15 2.61 5.75 -1.91 -3.45 115.11 113.18 2jva h GLN 76 Ca -0.19 -0.42 -0.53 0.00 -0.15 0.00 0.00 58.65 57.36 2jva h GLN 76 Cb 1.72 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 30.28 2jva h GLN 76 CO 0.04 1.04 -0.52 0.71 -2.65 0.00 0.00 178.83 177.45 2jva s TYR 77 N -3.79 2.82 -0.03 3.99 1.51 -1.26 -5.04 117.35 115.56 2jva s TYR 77 Ca -0.07 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 2jva s TYR 77 Cb 0.10 -1.59 -0.24 0.00 -0.11 0.00 0.00 41.96 40.12 2jva s TYR 77 CO 0.86 0.36 0.72 -0.09 -1.11 0.00 0.00 175.55 176.29 2jva h ARG 78 N 1.50 0.07 -5.99 -0.62 2.43 -1.95 -3.46 114.38 106.37 2jva h ARG 78 Ca -0.45 -0.12 -0.57 0.00 -0.81 0.00 0.00 59.98 58.03 2jva h ARG 78 Cb 1.25 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.78 2jva h ARG 78 CO 0.61 0.74 0.23 0.95 -1.51 0.00 0.00 179.97 180.99 2jva s THR 79 N -2.61 4.97 0.26 0.20 -4.23 -1.26 -4.67 115.64 108.30 2jva s THR 79 Ca -0.07 1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 61.94 2jva s THR 79 Cb 0.08 -4.09 0.27 0.00 1.34 0.00 0.00 72.50 70.10 2jva s THR 79 CO 0.82 0.14 1.90 -0.61 -0.54 0.00 0.00 174.62 176.33 2jva h GLN 80 N 7.06 1.21 -0.05 3.99 4.15 -1.88 0.20 115.11 129.79 2jva h GLN 80 Ca -0.35 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 2jva h GLN 80 Cb 1.17 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 2jva h GLN 80 CO 0.79 0.80 -0.05 1.49 -1.93 0.00 0.00 178.83 179.93 2jva h GLU 81 N 1.25 0.12 -0.13 1.69 4.81 -1.93 -0.91 114.58 119.48 2jva h GLU 81 Ca 0.41 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 2jva h GLU 81 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2jva h GLU 81 CO -0.14 0.57 -0.40 1.96 -0.73 0.00 0.00 179.01 180.27 2jva h GLN 82 N -0.33 0.28 -0.44 1.92 7.50 -1.93 -0.74 115.11 121.36 2jva h GLN 82 Ca 0.01 -0.13 -0.08 0.00 0.50 0.00 0.00 58.65 58.95 2jva h GLN 82 Cb 0.55 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.05 2jva h GLN 82 CO 0.01 0.64 -0.05 -0.97 -1.50 0.00 0.00 178.83 176.96 2jva h ASN 83 N 0.24 0.73 0.05 1.46 -1.24 -0.58 0.15 115.58 116.39 2jva h ASN 83 Ca 0.02 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 2jva h ASN 83 Cb 0.81 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.67 2jva h ASN 83 CO 0.06 0.83 -0.03 -0.09 -1.29 0.00 0.00 177.43 176.92 2jva h ARG 84 N 0.70 -0.07 -0.86 6.67 2.43 -0.57 -2.32 114.38 120.35 2jva h ARG 84 Ca 0.13 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2jva h ARG 84 Cb 0.50 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 2jva h ARG 84 CO 0.03 0.05 0.57 0.00 -1.51 0.00 0.00 179.97 179.11 2jva h ALA 85 N 0.77 1.42 0.26 2.80 0.00 -0.81 -0.65 119.26 123.04 2jva h ALA 85 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jva h ALA 85 Cb 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jva h ALA 85 CO 0.01 0.52 -0.18 0.22 0.00 0.00 0.00 179.25 179.82 2jva h ASP 86 N 1.13 -0.47 -0.49 0.00 3.58 -0.59 -1.12 116.42 118.46 2jva h ASP 86 Ca 0.33 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 2jva h ASP 86 Cb -0.07 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2jva h ASP 86 CO -0.08 -0.29 0.26 0.00 -2.88 0.00 0.00 179.24 176.25 2jva h ALA 87 N 0.27 1.48 -0.29 -0.78 0.00 -0.98 0.42 119.26 119.38 2jva h ALA 87 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2jva h ALA 87 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jva h ALA 87 CO 0.01 0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 179.60 2jva h LEU 88 N 0.73 0.51 -0.52 0.00 3.38 -0.90 0.31 115.31 118.82 2jva h LEU 88 Ca 0.18 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2jva h LEU 88 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2jva h LEU 88 CO -0.03 0.70 -0.02 0.25 0.09 0.00 0.00 178.44 179.43 2jva h LEU 89 N 0.31 0.92 -0.73 1.67 7.12 -0.73 -2.44 115.31 121.43 2jva h LEU 89 Ca 0.08 -0.32 -0.03 0.00 0.13 0.00 0.00 57.88 57.74 2jva h LEU 89 Cb 0.44 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.29 2jva h LEU 89 CO 0.02 1.02 0.33 -0.09 -0.13 0.00 0.00 178.44 179.58 2jva h ARG 90 N 0.80 1.07 0.21 1.25 2.43 0.01 -0.62 114.38 119.53 2jva h ARG 90 Ca 0.15 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2jva h ARG 90 Cb 0.56 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2jva h ARG 90 CO 0.03 0.86 -0.10 1.25 -1.51 0.00 0.00 179.97 180.50 2jva h LEU 91 N 1.04 -0.24 -0.83 3.80 5.85 -0.24 0.48 115.31 125.16 2jva h LEU 91 Ca 0.25 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2jva h LEU 91 Cb 0.16 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2jva h LEU 91 CO -0.03 -0.08 0.40 0.77 -0.34 0.00 0.00 178.44 179.17 2jva h SER 92 N -0.39 1.09 -0.08 1.25 4.64 -1.31 0.39 113.55 119.14 2jva h SER 92 Ca -0.03 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2jva h SER 92 Cb 0.30 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2jva h SER 92 CO 0.05 0.92 0.02 -0.08 -0.87 0.00 0.00 176.83 176.87 2jva h GLU 93 N 1.19 0.06 -0.59 4.77 4.22 -1.01 -2.33 114.58 120.89 2jva h GLU 93 Ca 0.29 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.73 2jva h GLU 93 Cb 0.12 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2jva h GLU 93 CO -0.04 0.04 0.38 1.25 -2.18 0.00 0.00 179.01 178.47 2jva h LEU 94 N 0.06 0.65 -0.24 1.64 7.12 -0.26 0.14 115.31 124.43 2jva h LEU 94 Ca 0.04 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.05 2jva h LEU 94 Cb 0.02 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2jva h LEU 94 CO -0.04 0.47 0.12 0.40 -0.13 0.00 0.00 178.44 179.26 2jva h ILE 95 N 0.77 1.00 -0.25 4.05 2.04 -0.76 0.22 117.51 124.58 2jva h ILE 95 Ca 0.22 -0.09 -0.19 0.00 1.00 0.00 0.00 64.86 65.80 2jva h ILE 95 Cb -0.06 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2jva h ILE 95 CO -0.06 0.05 -0.60 0.58 0.00 0.00 0.00 178.15 178.12 2jva h VAL 96 N 0.26 1.28 -0.71 1.67 2.07 -1.18 -2.38 116.25 117.25 2jva h VAL 96 Ca 0.10 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 2jva h VAL 96 Cb 0.02 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2jva h VAL 96 CO -0.06 0.58 0.31 -1.13 0.02 0.00 0.00 177.57 177.29 2jva h ASN 97 N 0.63 0.96 0.13 0.57 -0.73 -0.44 -1.91 115.58 114.78 2jva h ASN 97 Ca 0.00 -0.15 -0.09 0.00 1.87 0.00 0.00 56.30 57.93 2jva h ASN 97 Cb 1.21 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 2jva h ASN 97 CO 0.13 0.85 -0.30 0.00 -0.37 0.00 0.00 177.43 177.74 2jva h ALA 98 N 1.15 1.24 0.00 1.57 0.00 -0.54 -2.11 119.26 120.57 2jva h ALA 98 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2jva h ALA 98 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jva h ALA 98 CO -0.02 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.54 2jva h ALA 99 N 1.46 1.08 0.00 0.00 0.00 -0.84 -1.89 119.26 119.07 2jva h ALA 99 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jva h ALA 99 Cb 0.65 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jva h ALA 99 CO 0.05 0.24 -0.06 0.87 0.00 0.00 0.00 179.25 180.35 2jva h LYS 100 N 0.00 0.00 -5.88 0.00 1.57 -0.66 -3.44 116.57 108.16 2jva h LYS 100 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 2jva h LYS 100 Cb 0.63 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 2jva h LYS 100 CO 0.03 0.06 -0.48 -0.51 -0.57 0.00 0.00 179.45 177.98 2jva s LEU 101 N -6.33 4.36 -0.21 2.94 1.43 -0.71 -5.02 118.68 115.14 2jva s LEU 101 Ca 0.02 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.31 2jva s LEU 101 Cb 0.08 -2.82 -0.19 0.00 0.03 0.00 0.00 46.19 43.30 2jva s LEU 101 CO 0.59 0.21 0.08 1.21 0.23 0.00 0.00 176.35 178.67 2jva n GLU 102 N 0.60 0.61 0.00 1.70 2.13 -1.26 -4.95 120.64 119.48 2jva n GLU 102 Ca -0.08 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2jva n GLU 102 Cb 0.52 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.56 2jva n GLU 102 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2jva n HIS 103 N -4.13 -1.23 0.00 4.31 -0.00 -1.26 -4.73 115.22 108.18 2jva n HIS 103 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.34 2jva n HIS 103 Cb 0.82 0.30 0.00 0.00 -0.00 0.00 0.00 29.99 31.11 2jva n HIS 103 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jva n HIS 104 N -2.09 0.00 -3.65 1.57 -0.00 -1.26 -4.04 115.22 105.75 2jva n HIS 104 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2jva n HIS 104 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 2jva n HIS 104 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jva s HIS 105 N 0.00 -0.26 -0.35 1.57 -3.43 -1.26 -5.00 115.29 106.56 2jva s HIS 105 Ca 0.00 0.58 0.15 0.00 -0.80 0.00 0.00 55.06 55.00 2jva s HIS 105 Cb 0.00 0.33 0.43 0.00 -1.43 0.00 0.00 32.58 31.91 2jva s HIS 105 CO 0.00 -0.13 0.91 1.58 -2.00 0.00 0.00 174.74 175.10 2jva n HIS 106 N 2.49 1.17 -2.32 0.38 -0.00 -1.26 -5.04 115.22 110.64 2jva n HIS 106 Ca -0.14 -3.07 -0.43 0.00 -0.00 0.00 0.00 57.72 54.08 2jva n HIS 106 Cb 0.57 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.99 30.16 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 -3.01 2.58 -0.38 1.57 2.46 -1.26 -4.85 115.29 112.40 2jva s HIS 107 Ca 0.32 0.79 0.03 0.00 0.47 0.00 0.00 55.06 56.67 2jva s HIS 107 Cb 0.43 -3.73 0.02 0.00 -0.13 0.00 0.00 32.58 29.18 2jva s HIS 107 CO -0.01 -2.19 0.60 -2.39 -2.47 0.00 0.00 174.74 168.27