#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 -0.47 -0.89 2.96 0.31 -4.91 118.68 120.47 2jva s LEU 2 Ca 0.00 -1.41 -0.28 0.00 -0.22 0.00 0.00 54.13 52.22 2jva s LEU 2 Cb 0.00 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.33 2jva s LEU 2 CO 0.00 -1.26 1.07 -0.69 -1.32 0.00 0.00 176.35 174.15 2jva s VAL 3 N 3.36 4.30 -0.21 1.68 1.01 -1.26 -0.29 120.40 128.99 2jva s VAL 3 Ca 0.24 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 2jva s VAL 3 Cb -0.14 -4.54 -0.19 0.00 0.00 0.00 0.00 36.38 31.51 2jva s VAL 3 CO 0.03 -0.93 0.03 -0.38 0.00 0.00 0.00 175.10 173.85 2jva n ILE 4 N 6.67 1.59 -4.36 2.22 5.41 -0.97 -5.02 119.36 124.90 2jva n ILE 4 Ca 0.10 -0.37 -0.21 0.00 1.00 0.00 0.00 62.75 63.27 2jva n ILE 4 Cb 0.49 -1.82 -0.08 0.00 -0.71 0.00 0.00 39.64 37.52 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 -7.01 1.92 0.10 4.38 0.15 -0.76 -5.00 113.70 107.48 2jva s SER 5 Ca -0.31 -1.68 -0.23 0.00 0.70 0.00 0.00 55.95 54.44 2jva s SER 5 Cb 0.09 0.50 -0.12 0.00 -1.71 0.00 0.00 66.02 64.78 2jva s SER 5 CO 0.61 -0.98 1.72 -1.13 1.20 0.00 0.00 173.24 174.67 2jva h ASN 6 N 2.07 -0.11 -0.63 5.45 -0.73 -2.03 -2.96 115.58 116.63 2jva h ASN 6 Ca -0.30 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.88 2jva h ASN 6 Cb 1.25 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.89 2jva h ASN 6 CO 0.47 -0.06 0.00 -3.20 -0.37 0.00 0.00 177.43 174.27 2jva n ASN 7 N -5.15 3.71 -4.03 1.15 2.85 -1.26 -4.85 115.26 107.68 2jva n ASN 7 Ca -0.06 -2.01 -0.31 0.00 -0.11 0.00 0.00 54.58 52.09 2jva n ASN 7 Cb 0.08 -0.43 -0.16 0.00 1.24 0.00 0.00 39.78 40.51 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 -1.02 1.75 0.02 3.44 1.01 -1.12 -5.07 120.40 119.42 2jva s VAL 8 Ca 0.42 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2jva s VAL 8 Cb 0.22 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2jva s VAL 8 CO 0.29 0.30 -0.09 -1.00 0.00 0.00 0.00 175.10 174.60 2jva s HIS 9 N 1.37 0.75 -0.26 5.22 3.76 -1.26 -1.82 115.29 123.05 2jva s HIS 9 Ca 0.01 -0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 54.59 2jva s HIS 9 Cb -0.15 -0.46 -0.00 0.00 1.11 0.00 0.00 32.58 33.08 2jva s HIS 9 CO -0.10 -0.02 0.03 -0.51 -0.85 0.00 0.00 174.74 173.29 2jva s LEU 10 N -0.79 3.39 0.52 0.89 1.43 0.60 -4.77 118.68 119.95 2jva s LEU 10 Ca -0.01 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.35 2jva s LEU 10 Cb -0.06 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 2jva s LEU 10 CO 0.00 -0.10 1.23 -0.81 0.23 0.00 0.00 176.35 176.91 2jva n PRO 11 N 4.84 1.57 -0.27 1.29 -0.04 -1.26 -0.53 135.00 140.60 2jva n PRO 11 Ca -0.16 0.57 0.03 0.00 -0.04 0.00 0.00 63.50 63.91 2jva n PRO 11 Cb 0.50 -2.41 0.25 0.00 -0.04 0.00 0.00 33.50 31.80 2jva n PRO 11 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jva h ASP 12 N 1.42 0.87 0.50 3.54 3.32 -1.97 -1.12 116.42 122.99 2jva h ASP 12 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jva h ASP 12 Cb 1.32 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2jva h ASP 12 CO 0.57 0.58 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 2jva n ALA 13 N -2.41 2.23 1.23 3.45 0.00 -1.26 -2.56 120.51 121.19 2jva n ALA 13 Ca 0.12 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2jva n ALA 13 Cb 0.16 -1.40 0.29 0.00 0.00 0.00 0.00 19.45 18.51 2jva n ALA 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jva n GLU 14 N -1.31 1.82 -3.44 0.00 2.13 -0.42 -4.68 120.64 114.74 2jva n GLU 14 Ca 0.11 -1.32 -0.43 0.00 0.66 0.00 0.00 57.16 56.18 2jva n GLU 14 Cb 0.20 -1.47 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 2jva n GLU 14 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2jva s ILE 15 N -2.09 4.71 -0.63 6.31 1.01 -1.06 -4.90 121.20 124.55 2jva s ILE 15 Ca 0.31 -1.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.15 2jva s ILE 15 Cb 0.20 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.71 2jva s ILE 15 CO 0.36 -0.78 0.96 -0.70 0.00 0.00 0.00 174.94 174.78 2jva s GLU 16 N 1.49 3.17 -0.34 2.79 2.56 -1.26 -4.99 118.70 122.12 2jva s GLU 16 Ca 0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 54.97 54.29 2jva s GLU 16 Cb -0.27 -4.17 0.04 0.00 2.00 0.00 0.00 34.13 31.72 2jva s GLU 16 CO 0.02 -1.72 0.12 -0.51 -0.56 0.00 0.00 175.26 172.61 2jva s LEU 17 N 4.05 4.35 0.22 2.70 1.43 -1.26 -3.36 118.68 126.81 2jva s LEU 17 Ca 0.25 -1.09 0.08 0.00 -1.03 0.00 0.00 54.13 52.34 2jva s LEU 17 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2jva s LEU 17 CO 0.13 -0.33 0.01 -0.89 0.23 0.00 0.00 176.35 175.51 2jva s THR 18 N 1.44 3.67 -0.22 5.49 2.01 0.11 -4.95 115.64 123.19 2jva s THR 18 Ca -0.01 -1.62 -0.06 0.00 0.31 0.00 0.00 61.69 60.31 2jva s THR 18 Cb -0.19 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 2jva s THR 18 CO 0.03 -0.24 0.03 0.00 -0.69 0.00 0.00 174.62 173.75 2jva s ALA 19 N -2.00 3.07 -0.69 7.40 0.00 -1.26 0.64 121.76 128.92 2jva s ALA 19 Ca 0.29 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 2jva s ALA 19 Cb -0.08 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.18 2jva s ALA 19 CO 0.20 -0.31 1.20 0.42 0.00 0.00 0.00 175.76 177.27 2jva s ILE 20 N 1.28 3.90 -0.11 0.00 1.01 -0.44 -4.91 121.20 121.92 2jva s ILE 20 Ca 0.04 0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.86 2jva s ILE 20 Cb -0.15 -4.83 -0.03 0.00 0.01 0.00 0.00 42.46 37.47 2jva s ILE 20 CO 0.02 -1.66 0.73 -0.60 0.00 0.00 0.00 174.94 173.43 2jva s ARG 21 N 5.26 4.37 0.29 2.79 3.52 -1.26 -4.18 118.95 129.74 2jva s ARG 21 Ca 0.35 0.89 -0.10 0.00 -0.13 0.00 0.00 55.73 56.73 2jva s ARG 21 Cb -0.09 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 2jva s ARG 21 CO 0.17 -0.09 0.52 0.00 -0.81 0.00 0.00 175.30 175.08 2jva s ALA 22 N 1.35 -0.04 0.00 6.12 0.00 -1.26 -4.97 121.76 122.96 2jva s ALA 22 Ca 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2jva s ALA 22 Cb -0.17 1.04 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2jva s ALA 22 CO 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 175.76 175.06 2jva n GLN 23 N -0.45 0.61 -0.11 0.00 -0.00 -1.26 -4.10 117.38 112.07 2jva n GLN 23 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 56.92 2jva n GLN 23 Cb 0.61 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.87 2jva n GLN 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2jva h GLY 24 N 0.00 0.46 -5.84 2.61 0.00 -1.84 -3.46 103.07 95.00 2jva h GLY 24 Ca 0.00 -0.06 -0.44 0.00 0.00 0.00 0.00 47.33 46.83 2jva h GLY 24 CO 0.00 0.01 -0.70 0.00 0.00 0.00 0.00 176.54 175.86 2jva n ALA 25 N -2.36 -1.23 0.00 3.60 0.00 -1.26 -2.14 120.51 117.12 2jva n ALA 25 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2jva n ALA 25 Cb 0.14 -4.58 0.00 0.00 0.00 0.00 0.00 19.45 15.02 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 -1.72 1.17 3.62 0.00 0.00 -1.26 -5.08 105.19 101.92 2jva n GLY 26 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2jva n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jva s GLY 27 N -1.02 1.04 -0.09 -0.02 0.00 -0.91 -4.97 107.32 101.36 2jva s GLY 27 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 44.72 44.90 2jva s GLY 27 CO 0.00 3.13 0.65 1.62 0.00 0.00 0.00 173.10 178.50 2jva s GLN 28 N 5.09 4.39 0.00 2.90 0.74 -1.26 -3.61 119.66 127.91 2jva s GLN 28 Ca 0.76 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.93 2jva s GLN 28 Cb -0.24 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.40 2jva s GLN 28 CO 0.32 0.04 0.00 -1.71 -0.55 0.00 0.00 175.29 173.38 2jva n ASN 29 N 3.95 0.00 -4.00 6.67 5.15 -1.26 -4.91 115.26 120.86 2jva n ASN 29 Ca -0.02 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 2jva n ASN 29 Cb 0.51 -0.03 -0.13 0.00 -0.53 0.00 0.00 39.78 39.61 2jva n ASN 29 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2jva s VAL 30 N -2.35 2.93 -0.61 3.44 -7.23 -1.24 -4.97 120.40 110.36 2jva s VAL 30 Ca 0.00 -3.14 0.04 0.00 -1.81 0.00 0.00 61.98 57.07 2jva s VAL 30 Cb 0.00 -2.99 0.16 0.00 0.56 0.00 0.00 36.38 34.11 2jva s VAL 30 CO 0.00 -0.81 0.41 0.20 -0.31 0.00 0.00 175.10 174.59 2jva s ASN 31 N 0.10 4.23 0.02 4.85 0.01 -1.26 -4.02 114.94 118.87 2jva s ASN 31 Ca 0.17 -3.51 0.07 0.00 -0.71 0.00 0.00 52.86 48.88 2jva s ASN 31 Cb -0.24 -1.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 2jva s ASN 31 CO -0.02 -0.14 -0.20 -0.75 -1.51 0.00 0.00 177.10 174.49 2jva s LYS 32 N -0.91 2.11 0.07 -0.60 2.47 -1.26 -4.82 119.74 116.80 2jva s LYS 32 Ca 0.24 -0.94 -0.31 0.00 -1.56 0.00 0.00 55.97 53.40 2jva s LYS 32 Cb -0.09 -2.17 -0.08 0.00 -1.46 0.00 0.00 37.83 34.03 2jva s LYS 32 CO -0.13 0.55 1.55 0.54 0.16 0.00 0.00 175.35 178.03 2jva s VAL 33 N -0.83 3.16 0.29 4.02 0.11 -1.26 -4.50 120.40 121.38 2jva s VAL 33 Ca 0.13 0.67 -0.30 0.00 -2.93 0.00 0.00 61.98 59.55 2jva s VAL 33 Cb -0.10 -3.43 -0.12 0.00 -1.53 0.00 0.00 36.38 31.19 2jva s VAL 33 CO 0.03 0.01 1.47 -1.20 -3.33 0.00 0.00 175.10 172.08 2jva n SER 34 N 5.09 3.28 -0.27 3.54 7.64 -1.26 -4.86 113.62 126.78 2jva n SER 34 Ca 0.14 1.16 0.02 0.00 1.01 0.00 0.00 58.87 61.21 2jva n SER 34 Cb 0.41 -1.52 0.05 0.00 -1.01 0.00 0.00 64.21 62.14 2jva n SER 34 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jva n SER 35 N 1.74 0.75 -4.66 6.43 3.41 -1.26 -4.71 113.62 115.31 2jva n SER 35 Ca 0.08 -2.02 -0.43 0.00 -0.26 0.00 0.00 58.87 56.25 2jva n SER 35 Cb 0.35 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.78 3.67 -0.02 7.33 0.00 -1.24 -4.41 121.76 125.31 2jva s ALA 36 Ca 0.08 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2jva s ALA 36 Cb 0.04 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2jva s ALA 36 CO 0.05 -1.14 0.33 -1.64 0.00 0.00 0.00 175.76 173.36 2jva s MET 37 N 3.41 3.75 -0.24 0.00 -1.94 -0.11 -1.33 119.30 122.84 2jva s MET 37 Ca 0.52 0.21 -0.07 0.00 -1.71 0.00 0.00 55.69 54.63 2jva s MET 37 Cb -0.20 -3.17 -0.03 0.00 2.01 0.00 0.00 34.83 33.44 2jva s MET 37 CO 0.12 0.70 0.07 -1.58 -0.01 0.00 0.00 175.02 174.32 2jva s HIS 38 N -1.12 3.11 -0.01 -0.03 5.04 0.21 -0.18 115.29 122.30 2jva s HIS 38 Ca 0.23 -0.33 0.08 0.00 -1.54 0.00 0.00 55.06 53.50 2jva s HIS 38 Cb -0.15 -2.21 -0.02 0.00 0.04 0.00 0.00 32.58 30.24 2jva s HIS 38 CO 0.12 -0.28 -0.25 -0.51 -2.34 0.00 0.00 174.74 171.48 2jva s LEU 39 N 1.42 2.07 -0.31 8.88 1.02 -0.59 0.06 118.68 131.23 2jva s LEU 39 Ca 0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 2jva s LEU 39 Cb -0.15 -1.29 0.10 0.00 0.02 0.00 0.00 46.19 44.87 2jva s LEU 39 CO 0.04 0.30 0.12 0.00 0.02 0.00 0.00 176.35 176.83 2jva s ARG 40 N -0.70 0.58 -0.53 1.70 1.70 -1.21 -0.82 118.95 119.66 2jva s ARG 40 Ca 0.10 -0.98 -0.18 0.00 -0.47 0.00 0.00 55.73 54.20 2jva s ARG 40 Cb -0.10 -1.72 0.08 0.00 -0.57 0.00 0.00 34.95 32.64 2jva s ARG 40 CO -0.00 -1.02 0.58 0.12 -1.08 0.00 0.00 175.30 173.89 2jva s PHE 41 N 1.66 3.11 -0.43 5.89 5.36 0.11 -4.51 117.98 129.17 2jva s PHE 41 Ca 0.10 -0.84 -0.26 0.00 -0.96 0.00 0.00 56.93 54.97 2jva s PHE 41 Cb -0.18 -3.62 0.02 0.00 -0.34 0.00 0.00 43.02 38.91 2jva s PHE 41 CO -0.26 -1.05 0.98 0.34 -1.46 0.00 0.00 175.22 173.77 2jva s ASP 42 N 3.04 6.60 0.41 6.13 -1.08 -1.26 -0.03 116.67 130.49 2jva s ASP 42 Ca 0.10 0.38 0.19 0.00 -0.52 0.00 0.00 52.55 52.70 2jva s ASP 42 Cb -0.23 -2.48 0.87 0.00 -1.46 0.00 0.00 42.92 39.62 2jva s ASP 42 CO 0.08 -1.02 1.84 0.40 0.52 0.00 0.00 175.17 176.98 2jva h ILE 43 N 6.01 0.90 -0.02 4.11 2.04 -0.78 -1.67 117.51 128.10 2jva h ILE 43 Ca -0.23 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.31 2jva h ILE 43 Cb 1.07 1.73 0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2jva h ILE 43 CO 1.03 0.31 -0.35 -1.13 0.00 0.00 0.00 178.15 178.01 2jva h ASN 44 N 0.00 0.35 0.36 1.72 -0.73 -1.85 -3.32 115.58 112.11 2jva h ASN 44 Ca -0.00 -0.73 0.00 0.00 1.87 0.00 0.00 56.30 57.44 2jva h ASN 44 Cb 0.71 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.19 2jva h ASN 44 CO 0.04 1.03 -0.65 0.00 -0.37 0.00 0.00 177.43 177.47 2jva n ALA 45 N -2.54 3.89 -1.71 1.57 0.00 -1.21 -4.95 120.51 115.56 2jva n ALA 45 Ca -0.09 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 2jva n ALA 45 Cb 0.54 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.03 4.98 0.00 0.00 1.04 -0.63 -4.86 113.70 111.20 2jva s SER 46 Ca 0.10 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.97 2jva s SER 46 Cb 0.17 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2jva s SER 46 CO 0.75 -1.74 0.67 -1.20 0.98 0.00 0.00 173.24 172.70 2jva n SER 47 N -1.76 1.90 -4.82 7.02 7.64 -1.26 -4.82 113.62 117.52 2jva n SER 47 Ca 0.14 -1.59 -0.37 0.00 1.01 0.00 0.00 58.87 58.06 2jva n SER 47 Cb 0.49 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.00 4.45 0.74 -3.43 1.43 -1.26 -4.66 118.68 115.94 2jva s LEU 48 Ca 0.00 1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 54.21 2jva s LEU 48 Cb 0.00 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 43.13 2jva s LEU 48 CO 0.00 0.18 1.18 -2.16 0.23 0.00 0.00 176.35 175.78 2jva s PRO 49 N -1.50 2.14 0.51 1.29 0.04 -1.26 -4.80 135.00 131.42 2jva s PRO 49 Ca 0.34 1.64 0.26 0.00 0.04 0.00 0.00 61.00 63.28 2jva s PRO 49 Cb -0.18 -1.85 1.37 0.00 0.04 0.00 0.00 34.50 33.88 2jva s PRO 49 CO 0.20 -1.81 1.94 -1.35 0.04 0.00 0.00 177.00 176.02 2jva h PRO 50 N -0.44 0.07 -0.50 0.56 0.11 -1.97 -1.28 132.00 128.55 2jva h PRO 50 Ca -0.47 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 2jva h PRO 50 Cb 1.28 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 2jva h PRO 50 CO 0.50 0.05 -0.14 0.35 -0.21 0.00 0.00 178.00 178.55 2jva h PHE 51 N 0.07 -0.30 0.01 0.65 3.57 -2.01 0.12 116.94 119.06 2jva h PHE 51 Ca 0.34 0.05 -0.26 0.00 3.53 0.00 0.00 57.97 61.63 2jva h PHE 51 Cb 1.26 0.21 0.02 0.00 2.79 0.00 0.00 35.95 40.23 2jva h PHE 51 CO -0.00 -0.23 -1.04 1.88 -2.23 0.00 0.00 178.31 176.69 2jva h TYR 52 N -0.01 0.97 -0.78 0.41 0.05 -1.63 -3.34 116.97 112.63 2jva h TYR 52 Ca 0.24 -0.53 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2jva h TYR 52 Cb 0.38 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 2jva h TYR 52 CO -0.44 1.37 0.50 0.87 -1.05 0.00 0.00 178.16 179.41 2jva h LYS 53 N 0.36 1.03 -0.16 4.88 1.57 -0.41 -1.49 116.57 122.35 2jva h LYS 53 Ca -0.12 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2jva h LYS 53 Cb 1.69 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 2jva h LYS 53 CO 0.20 0.70 0.01 0.93 -0.57 0.00 0.00 179.45 180.72 2jva h GLU 54 N 1.06 0.07 0.00 3.15 5.08 -0.92 0.12 114.58 123.14 2jva h GLU 54 Ca 0.28 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2jva h GLU 54 Cb -0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2jva h GLU 54 CO -0.06 0.05 -0.30 0.00 -1.00 0.00 0.00 179.01 177.69 2jva h ARG 55 N 0.07 0.00 -0.18 2.33 3.08 -1.61 0.67 114.38 118.75 2jva h ARG 55 Ca 0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 2jva h ARG 55 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jva h ARG 55 CO -0.11 0.30 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.71 2jva h LEU 56 N 0.00 0.59 -0.23 3.04 3.38 -0.97 -2.83 115.31 118.28 2jva h LEU 56 Ca -0.00 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2jva h LEU 56 Cb 1.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2jva h LEU 56 CO 0.04 1.01 0.09 0.25 0.09 0.00 0.00 178.44 179.91 2jva h LEU 57 N 0.18 0.33 -3.11 1.67 6.46 -0.66 -2.98 115.31 117.21 2jva h LEU 57 Ca 0.01 -0.18 -0.26 0.00 -0.12 0.00 0.00 57.88 57.34 2jva h LEU 57 Cb 0.89 -0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 40.60 2jva h LEU 57 CO 0.07 0.41 0.33 0.00 -0.62 0.00 0.00 178.44 178.64 2jva n ALA 58 N -2.26 4.34 -1.69 1.25 0.00 0.20 -4.93 120.51 117.43 2jva n ALA 58 Ca -0.03 -1.39 -0.31 0.00 0.00 0.00 0.00 53.44 51.71 2jva n ALA 58 Cb 0.14 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.56 3.08 -0.09 0.00 1.43 -1.07 -4.90 118.68 115.58 2jva s LEU 59 Ca 0.27 1.48 0.12 0.00 -1.03 0.00 0.00 54.13 54.97 2jva s LEU 59 Cb 0.22 -4.38 0.51 0.00 0.03 0.00 0.00 46.19 42.58 2jva s LEU 59 CO 0.03 -1.31 1.37 0.59 0.23 0.00 0.00 176.35 177.25 2jva n ASN 60 N -3.04 3.56 -4.93 2.29 3.02 -1.26 -4.79 115.26 110.11 2jva n ASN 60 Ca 0.07 -2.34 -0.28 0.00 -0.03 0.00 0.00 54.58 52.00 2jva n ASN 60 Cb 0.54 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2jva n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jva s ASP 61 N -0.75 6.38 0.10 6.41 -1.08 -1.26 -4.69 116.67 121.79 2jva s ASP 61 Ca 0.36 0.36 0.25 0.00 -0.52 0.00 0.00 52.55 53.00 2jva s ASP 61 Cb 0.24 -1.99 0.58 0.00 -1.46 0.00 0.00 42.92 40.29 2jva s ASP 61 CO 0.17 0.01 1.51 -1.20 0.52 0.00 0.00 175.17 176.18 2jva n SER 62 N -0.44 0.60 -0.09 -0.34 7.64 -1.26 -3.28 113.62 116.45 2jva n SER 62 Ca -0.05 0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.17 2jva n SER 62 Cb 0.53 -0.11 0.60 0.00 -1.01 0.00 0.00 64.21 64.22 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 -1.96 0.57 -2.14 1.43 1.74 -1.26 -4.75 116.66 110.29 2jva n ARG 63 Ca 0.05 -0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 2jva n ARG 63 Cb 0.41 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2jva n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jva s ILE 64 N -2.56 3.58 0.40 0.55 -1.09 -1.20 -4.65 121.20 116.23 2jva s ILE 64 Ca 0.27 0.53 0.03 0.00 -2.23 0.00 0.00 60.65 59.24 2jva s ILE 64 Cb 0.20 -3.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2jva s ILE 64 CO 0.49 -0.72 0.59 0.42 -1.23 0.00 0.00 174.94 174.49 2jva s THR 65 N 7.04 3.96 0.04 2.92 -4.23 -1.26 -4.99 115.64 119.11 2jva s THR 65 Ca 0.69 -0.73 0.29 0.00 -1.18 0.00 0.00 61.69 60.76 2jva s THR 65 Cb -0.16 -3.42 0.32 0.00 1.34 0.00 0.00 72.50 70.58 2jva s THR 65 CO 0.29 -0.24 1.87 0.28 -0.54 0.00 0.00 174.62 176.28 2jva h SER 66 N 0.60 0.00 1.50 3.99 0.02 -1.93 -1.54 113.55 116.18 2jva h SER 66 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2jva h SER 66 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2jva h SER 66 CO 0.55 0.09 0.00 0.44 -1.14 0.00 0.00 176.83 176.77 2jva h ASP 67 N 0.00 0.00 -1.16 3.07 5.19 -1.99 -3.47 116.42 118.06 2jva h ASP 67 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2jva h ASP 67 Cb 0.68 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.20 2jva h ASP 67 CO 0.01 0.00 -0.10 0.61 -3.12 0.00 0.00 179.24 176.64 2jva n GLY 68 N 0.56 0.46 3.27 2.75 0.00 -0.58 -4.74 105.19 106.91 2jva n GLY 68 Ca 0.02 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.61 2.32 -0.44 1.61 1.01 -1.26 -0.02 120.40 121.01 2jva s VAL 69 Ca 0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2jva s VAL 69 Cb -0.02 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.49 2jva s VAL 69 CO 0.06 0.55 0.42 -0.63 0.00 0.00 0.00 175.10 175.50 2jva s ILE 70 N 0.24 5.14 -0.20 2.22 -1.09 0.96 -4.22 121.20 124.25 2jva s ILE 70 Ca -0.14 -0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 57.60 2jva s ILE 70 Cb -0.17 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 2jva s ILE 70 CO 0.07 -0.48 0.07 -0.69 -1.23 0.00 0.00 174.94 172.69 2jva s VAL 71 N 1.97 4.77 0.18 2.92 1.01 -1.26 0.09 120.40 130.07 2jva s VAL 71 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.12 2jva s VAL 71 Cb -0.19 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2jva s VAL 71 CO 0.11 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 174.70 2jva s LEU 72 N 0.67 2.47 -0.27 3.92 1.02 -0.00 -4.98 118.68 121.50 2jva s LEU 72 Ca 0.04 -0.90 -0.01 0.00 0.02 0.00 0.00 54.13 53.28 2jva s LEU 72 Cb -0.13 -0.81 0.08 0.00 0.02 0.00 0.00 46.19 45.36 2jva s LEU 72 CO 0.02 -0.06 0.06 -0.54 0.02 0.00 0.00 176.35 175.84 2jva s LYS 73 N -3.00 0.84 -0.62 1.70 1.02 -1.25 -1.54 119.74 116.89 2jva s LYS 73 Ca 0.18 -0.89 -0.23 0.00 0.02 0.00 0.00 55.97 55.04 2jva s LYS 73 Cb -0.05 -2.14 0.06 0.00 -0.52 0.00 0.00 37.83 35.18 2jva s LYS 73 CO 0.07 -0.83 0.98 0.00 -0.92 0.00 0.00 175.35 174.65 2jva s ALA 74 N 1.64 3.10 -0.11 5.17 0.00 0.75 -4.79 121.76 127.52 2jva s ALA 74 Ca 0.04 -1.57 0.16 0.00 0.00 0.00 0.00 51.96 50.59 2jva s ALA 74 Cb -0.17 -3.84 0.25 0.00 0.00 0.00 0.00 23.12 19.35 2jva s ALA 74 CO -0.17 -2.67 1.13 0.00 0.00 0.00 0.00 175.76 174.05 2jva n GLN 75 N 7.76 1.10 0.18 0.00 10.64 -1.26 -0.93 117.38 134.86 2jva n GLN 75 Ca -0.01 -2.36 -0.12 0.00 -1.83 0.00 0.00 57.00 52.68 2jva n GLN 75 Cb 0.46 -1.36 -0.07 0.00 -0.86 0.00 0.00 30.24 28.42 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 0.00 -0.48 -7.04 2.61 5.75 -1.89 -3.45 115.11 110.61 2jva h GLN 76 Ca -0.00 0.03 -0.47 0.00 -0.15 0.00 0.00 58.65 58.06 2jva h GLN 76 Cb 1.06 0.11 0.05 0.00 1.07 0.00 0.00 27.48 29.77 2jva h GLN 76 CO 0.00 -0.16 0.13 0.71 -2.65 0.00 0.00 178.83 176.86 2jva s TYR 77 N -4.22 3.25 -0.93 3.99 1.51 -1.26 -4.99 117.35 114.70 2jva s TYR 77 Ca -0.13 0.57 0.25 0.00 -1.01 0.00 0.00 57.07 56.75 2jva s TYR 77 Cb 0.01 -2.66 0.45 0.00 -0.11 0.00 0.00 41.96 39.66 2jva s TYR 77 CO 0.46 -0.74 1.38 -2.13 -1.11 0.00 0.00 175.55 173.42 2jva n ARG 78 N -2.49 0.05 -4.44 -0.62 3.00 -1.26 -4.81 116.66 106.10 2jva n ARG 78 Ca 0.04 0.01 -0.34 0.00 -0.00 0.00 0.00 57.85 57.56 2jva n ARG 78 Cb 0.58 -1.53 -0.11 0.00 0.00 0.00 0.00 32.46 31.39 2jva n ARG 78 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2jva s THR 79 N -3.03 3.97 0.11 5.15 -4.23 -1.26 -4.70 115.64 111.65 2jva s THR 79 Ca 0.10 -0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 60.10 2jva s THR 79 Cb 0.17 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2jva s THR 79 CO 0.71 0.54 1.55 1.56 -0.54 0.00 0.00 174.62 178.45 2jva h GLN 80 N 6.00 0.61 -0.19 3.99 4.20 -1.87 -0.83 115.11 127.02 2jva h GLN 80 Ca -0.40 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.06 2jva h GLN 80 Cb 1.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2jva h GLN 80 CO 0.59 0.73 -0.11 1.49 -0.67 0.00 0.00 178.83 180.86 2jva h GLU 81 N 0.42 0.29 -0.00 1.46 4.57 -1.95 0.31 114.58 119.68 2jva h GLU 81 Ca 0.10 -0.07 -0.23 0.00 -1.18 0.00 0.00 59.36 57.98 2jva h GLU 81 Cb 0.46 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2jva h GLU 81 CO 0.02 0.42 -0.95 1.96 -1.18 0.00 0.00 179.01 179.27 2jva h GLN 82 N 0.28 0.46 -0.63 1.92 7.50 -1.94 -2.92 115.11 119.78 2jva h GLN 82 Ca 0.06 -0.49 0.00 0.00 0.50 0.00 0.00 58.65 58.71 2jva h GLN 82 Cb 0.38 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 2jva h GLN 82 CO 0.02 1.14 0.40 -0.91 -1.50 0.00 0.00 178.83 177.98 2jva h ASN 83 N 0.26 0.74 -0.21 1.46 2.35 -0.46 -1.70 115.58 118.02 2jva h ASN 83 Ca -0.09 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2jva h ASN 83 Cb 1.59 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.71 2jva h ASN 83 CO 0.17 0.55 -0.19 -0.09 -1.65 0.00 0.00 177.43 176.22 2jva h ARG 84 N 0.86 -0.19 -0.64 0.81 2.43 -0.80 0.19 114.38 117.04 2jva h ARG 84 Ca 0.23 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2jva h ARG 84 Cb -0.06 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2jva h ARG 84 CO -0.05 -0.13 0.16 0.00 -1.51 0.00 0.00 179.97 178.45 2jva h ALA 85 N 0.90 0.85 -0.13 2.80 0.00 -1.24 -0.53 119.26 121.90 2jva h ALA 85 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jva h ALA 85 Cb 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jva h ALA 85 CO -0.33 0.55 0.00 0.22 0.00 0.00 0.00 179.25 179.69 2jva h ASP 86 N 0.94 0.22 -0.56 0.00 3.58 -1.02 -1.61 116.42 117.98 2jva h ASP 86 Ca 0.20 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.38 2jva h ASP 86 Cb 0.35 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 2jva h ASP 86 CO 0.00 0.47 0.34 0.00 -2.88 0.00 0.00 179.24 177.17 2jva h ALA 87 N 0.76 0.72 -0.82 -0.78 0.00 -0.51 0.33 119.26 118.95 2jva h ALA 87 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jva h ALA 87 Cb 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2jva h ALA 87 CO 0.01 0.06 0.42 -0.07 0.00 0.00 0.00 179.25 179.67 2jva h LEU 88 N 0.67 1.06 0.16 0.00 3.38 -1.03 0.30 115.31 119.85 2jva h LEU 88 Ca 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jva h LEU 88 Cb 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2jva h LEU 88 CO -0.10 0.87 -0.08 0.25 0.09 0.00 0.00 178.44 179.47 2jva h LEU 89 N 1.16 -0.19 -1.41 1.67 7.12 -0.68 -0.44 115.31 122.54 2jva h LEU 89 Ca 0.29 -0.11 -0.06 0.00 0.13 0.00 0.00 57.88 58.13 2jva h LEU 89 Cb 0.08 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.24 2jva h LEU 89 CO -0.04 -0.00 -0.22 0.03 -0.13 0.00 0.00 178.44 178.07 2jva h ARG 90 N -0.36 0.11 0.12 1.25 3.08 -0.75 0.46 114.38 118.29 2jva h ARG 90 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2jva h ARG 90 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2jva h ARG 90 CO 0.04 0.33 -0.06 1.25 -1.07 0.00 0.00 179.97 180.46 2jva h LEU 91 N 0.10 -0.13 -1.15 3.04 5.85 -0.18 -0.55 115.31 122.29 2jva h LEU 91 Ca 0.02 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2jva h LEU 91 Cb 0.45 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2jva h LEU 91 CO 0.03 0.13 0.23 0.77 -0.34 0.00 0.00 178.44 179.26 2jva h SER 92 N -0.39 0.75 -0.24 1.25 4.64 -0.71 -1.33 113.55 117.52 2jva h SER 92 Ca -0.02 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 2jva h SER 92 Cb 0.32 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2jva h SER 92 CO 0.03 0.67 0.14 -0.33 -0.87 0.00 0.00 176.83 176.47 2jva h GLU 93 N 0.82 0.29 -0.68 4.77 4.39 -0.80 -1.60 114.58 121.76 2jva h GLU 93 Ca 0.20 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.89 2jva h GLU 93 Cb 0.16 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2jva h GLU 93 CO -0.02 0.19 0.44 1.25 -1.16 0.00 0.00 179.01 179.71 2jva h LEU 94 N 0.30 0.75 -0.05 1.33 5.85 -0.42 0.33 115.31 123.40 2jva h LEU 94 Ca 0.09 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jva h LEU 94 Cb -0.01 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2jva h LEU 94 CO -0.04 0.54 0.03 0.40 -0.34 0.00 0.00 178.44 179.03 2jva h ILE 95 N 0.89 1.10 -0.45 4.05 2.04 -1.04 -0.77 117.51 123.32 2jva h ILE 95 Ca 0.26 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2jva h ILE 95 Cb -0.07 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jva h ILE 95 CO -0.07 0.08 -0.11 0.58 0.00 0.00 0.00 178.15 178.63 2jva h VAL 96 N -0.03 1.27 -0.74 1.67 2.07 -1.08 -3.06 116.25 116.36 2jva h VAL 96 Ca 0.02 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2jva h VAL 96 Cb 0.11 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2jva h VAL 96 CO -0.00 0.42 0.41 -1.13 0.02 0.00 0.00 177.57 177.29 2jva h ASN 97 N 0.70 0.90 -0.55 0.57 -0.73 -0.19 -0.39 115.58 115.89 2jva h ASN 97 Ca 0.11 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 2jva h ASN 97 Cb 0.65 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 2jva h ASN 97 CO 0.04 0.72 0.29 0.00 -0.37 0.00 0.00 177.43 178.11 2jva h ALA 98 N 1.43 1.43 0.00 1.57 0.00 -1.04 0.04 119.26 122.69 2jva h ALA 98 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jva h ALA 98 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2jva h ALA 98 CO -0.04 0.46 -0.49 0.00 0.00 0.00 0.00 179.25 179.18 2jva n ALA 99 N -2.45 3.17 0.00 0.00 0.00 -0.80 -4.06 120.51 116.37 2jva n ALA 99 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.27 2jva n ALA 99 Cb 0.12 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 2jva n ALA 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jva n LYS 100 N -1.73 0.65 -1.83 0.00 4.81 -0.22 -4.92 118.16 114.91 2jva n LYS 100 Ca 0.05 -0.03 -0.43 0.00 -0.87 0.00 0.00 58.31 57.03 2jva n LYS 100 Cb 0.38 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 2jva n LYS 100 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2jva s LEU 101 N -5.06 3.80 0.05 3.14 0.05 -0.11 -4.81 118.68 115.73 2jva s LEU 101 Ca -0.06 1.88 0.22 0.00 0.05 0.00 0.00 54.13 56.23 2jva s LEU 101 Cb 0.11 -3.52 -0.15 0.00 -2.05 0.00 0.00 46.19 40.58 2jva s LEU 101 CO 0.86 -1.52 0.79 -1.84 -0.55 0.00 0.00 176.35 174.08 2jva n GLU 102 N 8.12 0.49 -4.84 1.48 0.28 -1.26 -4.88 120.64 120.04 2jva n GLU 102 Ca 0.23 -0.06 -0.33 0.00 -0.16 0.00 0.00 57.16 56.85 2jva n GLU 102 Cb 0.44 -1.61 -0.15 0.00 1.43 0.00 0.00 31.44 31.55 2jva n GLU 102 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2jva s HIS 103 N -3.36 2.72 0.08 -1.84 2.46 -1.26 -5.11 115.29 108.99 2jva s HIS 103 Ca -0.02 -0.89 -0.23 0.00 0.47 0.00 0.00 55.06 54.39 2jva s HIS 103 Cb 0.13 -1.82 -0.07 0.00 -0.13 0.00 0.00 32.58 30.70 2jva s HIS 103 CO 0.85 -0.36 0.68 -1.01 -2.47 0.00 0.00 174.74 172.44 2jva s HIS 104 N 0.49 3.80 -0.15 3.88 3.76 -1.26 -4.97 115.29 120.83 2jva s HIS 104 Ca -0.12 1.42 0.13 0.00 -0.15 0.00 0.00 55.06 56.34 2jva s HIS 104 Cb -0.16 -2.68 -0.24 0.00 1.11 0.00 0.00 32.58 30.61 2jva s HIS 104 CO 0.05 0.44 0.26 0.72 -0.85 0.00 0.00 174.74 175.37 2jva n HIS 105 N 2.14 0.41 0.00 1.40 8.25 -1.26 -4.86 115.22 121.30 2jva n HIS 105 Ca -0.06 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2jva n HIS 105 Cb 0.50 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.54 2jva n HIS 105 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jva n HIS 106 N -2.94 -0.16 -3.27 4.41 -0.00 -1.26 -5.09 115.22 106.91 2jva n HIS 106 Ca -0.29 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.05 2jva n HIS 106 Cb 1.10 0.11 -0.06 0.00 -0.00 0.00 0.00 29.99 31.14 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 -1.21 3.54 -2.00 1.57 5.65 -1.26 -5.09 115.29 116.49 2jva s HIS 107 Ca 0.00 0.97 0.24 0.00 0.25 0.00 0.00 55.06 56.52 2jva s HIS 107 Cb 0.00 -2.58 1.46 0.00 -1.18 0.00 0.00 32.58 30.27 2jva s HIS 107 CO 0.00 0.18 1.82 1.58 -0.65 0.00 0.00 174.74 177.67