#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 5.46 -0.45 -0.89 1.98 0.12 -4.91 118.68 120.00 2jva s LEU 2 Ca 0.00 -1.42 -0.24 0.00 -2.89 0.00 0.00 54.13 49.58 2jva s LEU 2 Cb 0.00 -2.30 0.02 0.00 0.66 0.00 0.00 46.19 44.57 2jva s LEU 2 CO 0.00 -1.04 0.83 -0.69 -1.89 0.00 0.00 176.35 173.57 2jva s VAL 3 N 2.50 4.59 -0.06 1.68 1.01 -1.26 0.21 120.40 129.06 2jva s VAL 3 Ca 0.10 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 2jva s VAL 3 Cb -0.24 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 2jva s VAL 3 CO 0.06 -0.73 -0.10 -0.38 0.00 0.00 0.00 175.10 173.95 2jva n ILE 4 N 6.20 0.59 -4.04 2.22 5.41 -1.02 -5.02 119.36 123.70 2jva n ILE 4 Ca 0.04 0.37 -0.02 0.00 1.00 0.00 0.00 62.75 64.14 2jva n ILE 4 Cb 0.48 -1.86 -0.01 0.00 -0.71 0.00 0.00 39.64 37.55 2jva n ILE 4 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2jva n SER 5 N -3.25 1.25 -0.09 4.38 2.88 -1.01 -5.01 113.62 112.76 2jva n SER 5 Ca -0.04 -1.16 -0.11 0.00 -1.33 0.00 0.00 58.87 56.22 2jva n SER 5 Cb 0.15 0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 2jva n SER 5 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jva h ASN 6 N 0.11 0.49 -0.17 -3.46 4.21 -2.03 -3.15 115.58 111.58 2jva h ASN 6 Ca -0.03 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.15 2jva h ASN 6 Cb 0.09 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 2jva h ASN 6 CO 0.04 0.71 0.00 -3.20 -1.29 0.00 0.00 177.43 173.69 2jva n ASN 7 N -4.57 2.71 -3.99 5.81 5.15 -1.26 -4.82 115.26 114.29 2jva n ASN 7 Ca -0.03 -1.88 -0.30 0.00 -0.60 0.00 0.00 54.58 51.77 2jva n ASN 7 Cb 0.28 -0.10 -0.16 0.00 -0.53 0.00 0.00 39.78 39.26 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jva s VAL 8 N -1.80 1.52 0.00 3.44 1.01 -1.19 -4.90 120.40 118.48 2jva s VAL 8 Ca 0.34 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2jva s VAL 8 Cb 0.21 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2jva s VAL 8 CO 0.31 0.28 -0.06 -1.00 0.00 0.00 0.00 175.10 174.62 2jva s HIS 9 N 1.47 0.55 -0.45 5.22 3.76 -1.26 -2.41 115.29 122.17 2jva s HIS 9 Ca 0.02 -0.15 -0.09 0.00 -0.15 0.00 0.00 55.06 54.68 2jva s HIS 9 Cb -0.15 -0.35 0.10 0.00 1.11 0.00 0.00 32.58 33.29 2jva s HIS 9 CO -0.09 -0.02 0.31 -0.51 -0.85 0.00 0.00 174.74 173.58 2jva s LEU 10 N -0.34 5.48 0.56 0.89 1.43 0.13 -4.71 118.68 122.12 2jva s LEU 10 Ca 0.01 -1.76 -0.21 0.00 -1.03 0.00 0.00 54.13 51.14 2jva s LEU 10 Cb -0.03 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2jva s LEU 10 CO -0.00 -0.63 1.31 -2.84 0.23 0.00 0.00 176.35 174.42 2jva s PRO 11 N 1.38 3.09 0.44 1.29 0.02 -1.26 0.16 135.00 140.11 2jva s PRO 11 Ca 0.05 2.12 0.15 0.00 0.02 0.00 0.00 61.00 63.34 2jva s PRO 11 Cb -0.25 -2.17 1.05 0.00 0.02 0.00 0.00 34.50 33.14 2jva s PRO 11 CO 0.00 -1.19 1.96 -0.44 -0.33 0.00 0.00 177.00 177.00 2jva h ASP 12 N 1.31 0.36 0.41 2.53 3.32 -1.94 0.89 116.42 123.31 2jva h ASP 12 Ca -0.51 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 2jva h ASP 12 Cb 1.30 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 2jva h ASP 12 CO 0.57 0.21 -0.14 0.00 -1.72 0.00 0.00 179.24 178.15 2jva h ALA 13 N 1.68 1.28 -0.01 3.45 0.00 -2.04 -2.17 119.26 121.45 2jva h ALA 13 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jva h ALA 13 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jva h ALA 13 CO -0.09 0.18 -0.21 0.39 0.00 0.00 0.00 179.25 179.52 2jva n GLU 14 N -3.67 0.89 -4.14 0.00 -0.58 0.29 -4.77 120.64 108.67 2jva n GLU 14 Ca -0.02 -0.50 -0.34 0.00 -0.42 0.00 0.00 57.16 55.89 2jva n GLU 14 Cb 0.27 -1.49 -0.15 0.00 -0.57 0.00 0.00 31.44 29.50 2jva n GLU 14 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jva s ILE 15 N -2.45 2.86 -0.65 -3.67 -1.09 -0.82 -4.41 121.20 110.97 2jva s ILE 15 Ca 0.26 -0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 57.87 2jva s ILE 15 Cb 0.19 -2.25 0.17 0.00 -1.58 0.00 0.00 42.46 38.99 2jva s ILE 15 CO 0.50 0.48 0.58 -0.70 -1.23 0.00 0.00 174.94 174.57 2jva s GLU 16 N 1.22 3.15 -0.42 2.79 2.12 -1.02 -4.92 118.70 121.63 2jva s GLU 16 Ca 0.02 -2.08 -0.15 0.00 0.36 0.00 0.00 54.97 53.13 2jva s GLU 16 Cb -0.14 -4.27 0.03 0.00 0.26 0.00 0.00 34.13 30.01 2jva s GLU 16 CO -0.05 -1.29 0.31 -0.51 -0.54 0.00 0.00 175.26 173.18 2jva s LEU 17 N 0.88 5.15 -0.16 2.70 1.43 -1.26 -1.99 118.68 125.44 2jva s LEU 17 Ca 0.10 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2jva s LEU 17 Cb -0.21 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2jva s LEU 17 CO -0.03 -0.47 -0.11 0.42 0.23 0.00 0.00 176.35 176.39 2jva s THR 18 N 1.67 3.11 -0.26 5.49 -4.23 -0.21 -4.99 115.64 116.21 2jva s THR 18 Ca 0.05 -0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 59.76 2jva s THR 18 Cb -0.20 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2jva s THR 18 CO 0.09 0.50 0.49 0.00 -0.54 0.00 0.00 174.62 175.16 2jva s ALA 19 N 0.68 3.59 0.28 3.99 0.00 -1.26 -0.14 121.76 128.89 2jva s ALA 19 Ca -0.06 -0.64 0.11 0.00 0.00 0.00 0.00 51.96 51.37 2jva s ALA 19 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2jva s ALA 19 CO 0.02 -0.73 -0.13 0.42 0.00 0.00 0.00 175.76 175.35 2jva s ILE 20 N 2.27 2.81 0.00 0.00 1.01 0.53 -4.99 121.20 122.83 2jva s ILE 20 Ca 0.20 -2.23 0.00 0.00 0.00 0.00 0.00 60.65 58.62 2jva s ILE 20 Cb -0.16 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2jva s ILE 20 CO 0.09 -0.38 0.00 0.54 0.00 0.00 0.00 174.94 175.19 2jva n ARG 21 N -0.72 0.80 -3.78 2.79 1.74 -1.26 -3.71 116.66 112.53 2jva n ARG 21 Ca -0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 2jva n ARG 21 Cb 0.60 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.92 2jva n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jva s ALA 22 N -2.80 -0.59 -0.02 7.54 0.00 -1.26 -4.74 121.76 119.88 2jva s ALA 22 Ca 0.00 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 2jva s ALA 22 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 2jva s ALA 22 CO 0.00 -0.13 0.63 -1.14 0.00 0.00 0.00 175.76 175.12 2jva s GLN 23 N 0.39 4.37 -1.00 0.00 0.74 -1.26 -4.87 119.66 118.03 2jva s GLN 23 Ca -0.02 0.78 -0.23 0.00 0.05 0.00 0.00 55.36 55.94 2jva s GLN 23 Cb -0.04 -3.38 0.05 0.00 1.10 0.00 0.00 33.01 30.75 2jva s GLN 23 CO -0.02 0.27 1.42 0.20 -0.55 0.00 0.00 175.29 176.62 2jva s GLY 24 N 0.11 1.27 -0.30 2.59 0.00 -1.26 -4.93 107.32 104.80 2jva s GLY 24 Ca 0.33 -2.24 -0.37 0.00 0.00 0.00 0.00 44.72 42.44 2jva s GLY 24 CO 0.17 2.65 2.02 0.00 0.00 0.00 0.00 173.10 177.95 2jva n ALA 25 N 8.79 0.67 0.00 3.20 0.00 -1.26 -1.54 120.51 130.37 2jva n ALA 25 Ca 0.31 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2jva n ALA 25 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 5.65 0.67 1.97 0.00 0.00 -1.26 -4.80 105.19 107.41 2jva n GLY 26 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 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 0.14 0.66 -0.02 0.00 -0.59 -4.94 105.19 100.44 2jva n GLY 27 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jva n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jva n GLN 28 N -2.17 1.86 -2.75 1.61 6.02 -1.14 -4.99 117.38 115.82 2jva n GLN 28 Ca -0.09 -1.31 -0.01 0.00 -0.01 0.00 0.00 57.00 55.58 2jva n GLN 28 Cb 0.56 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.43 2jva n GLN 28 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jva n ASN 29 N 0.53 -6.58 -4.45 1.08 3.02 -1.26 -4.88 115.26 102.72 2jva n ASN 29 Ca 0.16 1.33 -0.44 0.00 -0.03 0.00 0.00 54.58 55.60 2jva n ASN 29 Cb 0.36 -4.95 -0.02 0.00 -0.61 0.00 0.00 39.78 34.56 2jva n ASN 29 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jva s VAL 30 N -1.38 4.84 -0.61 2.41 -7.23 -1.26 -4.73 120.40 112.44 2jva s VAL 30 Ca -0.05 -1.86 0.14 0.00 -1.81 0.00 0.00 61.98 58.39 2jva s VAL 30 Cb 0.00 -4.79 0.71 0.00 0.56 0.00 0.00 36.38 32.86 2jva s VAL 30 CO 0.71 -1.51 1.60 -3.20 -0.31 0.00 0.00 175.10 172.39 2jva n ASN 31 N 6.20 4.96 -4.48 4.85 5.15 -1.26 -4.92 115.26 125.76 2jva n ASN 31 Ca 0.26 -2.69 -0.27 0.00 -0.60 0.00 0.00 54.58 51.29 2jva n ASN 31 Cb 0.48 -0.63 -0.11 0.00 -0.53 0.00 0.00 39.78 38.99 2jva n ASN 31 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2jva s LYS 32 N -2.33 1.73 0.08 1.20 1.02 -1.26 -5.12 119.74 115.06 2jva s LYS 32 Ca 0.48 -1.46 -0.23 0.00 0.02 0.00 0.00 55.97 54.79 2jva s LYS 32 Cb 0.35 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.64 2jva s LYS 32 CO 0.17 0.41 0.69 0.54 -0.92 0.00 0.00 175.35 176.23 2jva s VAL 33 N -1.76 4.64 0.32 3.17 0.11 -1.26 -4.82 120.40 120.81 2jva s VAL 33 Ca 0.23 1.48 0.07 0.00 -2.93 0.00 0.00 61.98 60.83 2jva s VAL 33 Cb -0.08 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.71 2jva s VAL 33 CO 0.12 0.47 0.34 -0.44 -3.33 0.00 0.00 175.10 172.27 2jva s SER 34 N -0.70 5.58 -0.23 3.54 0.01 -1.26 -5.01 113.70 115.62 2jva s SER 34 Ca 0.34 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.27 2jva s SER 34 Cb -0.21 -1.14 0.36 0.00 0.21 0.00 0.00 66.02 65.24 2jva s SER 34 CO 0.22 -0.34 1.47 -1.54 0.41 0.00 0.00 173.24 173.46 2jva n SER 35 N -1.44 3.40 -4.58 2.44 3.41 -1.26 -4.69 113.62 110.90 2jva n SER 35 Ca -0.02 -2.83 -0.42 0.00 -0.26 0.00 0.00 58.87 55.34 2jva n SER 35 Cb 0.59 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.75 3.45 0.18 7.33 0.00 -1.24 -4.28 121.76 125.44 2jva s ALA 36 Ca 0.30 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.67 2jva s ALA 36 Cb 0.25 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2jva s ALA 36 CO 0.06 -1.42 -0.10 -1.64 0.00 0.00 0.00 175.76 172.66 2jva s MET 37 N 2.99 2.05 -0.07 0.00 -1.94 0.39 -0.34 119.30 122.36 2jva s MET 37 Ca 0.30 -1.28 0.04 0.00 -1.71 0.00 0.00 55.69 53.03 2jva s MET 37 Cb -0.14 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.56 2jva s MET 37 CO 0.16 0.43 -0.19 -1.58 -0.01 0.00 0.00 175.02 173.83 2jva s HIS 38 N -1.71 2.04 -0.05 -0.03 5.04 0.81 -0.23 115.29 121.15 2jva s HIS 38 Ca 0.25 -0.75 0.03 0.00 -1.54 0.00 0.00 55.06 53.05 2jva s HIS 38 Cb -0.09 -1.39 -0.03 0.00 0.04 0.00 0.00 32.58 31.12 2jva s HIS 38 CO 0.15 -0.31 -0.13 -0.51 -2.34 0.00 0.00 174.74 171.60 2jva s LEU 39 N 0.34 2.80 -0.22 8.88 1.02 0.44 -1.04 118.68 130.89 2jva s LEU 39 Ca -0.13 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 2jva s LEU 39 Cb -0.16 -1.57 0.10 0.00 0.02 0.00 0.00 46.19 44.58 2jva s LEU 39 CO 0.06 0.35 0.21 -0.60 0.02 0.00 0.00 176.35 176.39 2jva s ARG 40 N -0.74 0.20 -0.22 1.70 3.52 -0.84 -1.36 118.95 121.21 2jva s ARG 40 Ca 0.11 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2jva s ARG 40 Cb -0.11 -1.18 0.05 0.00 -1.56 0.00 0.00 34.95 32.16 2jva s ARG 40 CO 0.01 -0.75 -0.10 0.12 -0.81 0.00 0.00 175.30 173.77 2jva s PHE 41 N 2.29 2.63 -0.74 5.12 5.36 -0.65 -2.42 117.98 129.57 2jva s PHE 41 Ca 0.07 -1.80 -0.26 0.00 -0.96 0.00 0.00 56.93 53.98 2jva s PHE 41 Cb -0.15 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2jva s PHE 41 CO -0.17 -0.78 1.59 -0.51 -1.46 0.00 0.00 175.22 173.88 2jva s ASP 42 N 1.32 5.75 0.22 6.13 1.11 -1.26 -0.88 116.67 129.06 2jva s ASP 42 Ca -0.04 -0.29 0.01 0.00 0.18 0.00 0.00 52.55 52.41 2jva s ASP 42 Cb -0.17 -2.55 0.20 0.00 1.07 0.00 0.00 42.92 41.46 2jva s ASP 42 CO -0.07 -2.10 1.55 0.40 1.18 0.00 0.00 175.17 176.12 2jva h ILE 43 N 6.58 1.34 -0.65 0.77 2.04 -1.04 -2.26 117.51 124.28 2jva h ILE 43 Ca -0.18 -1.83 0.02 0.00 1.00 0.00 0.00 64.86 63.87 2jva h ILE 43 Cb 1.08 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 2jva h ILE 43 CO 1.27 0.56 0.42 -1.13 0.00 0.00 0.00 178.15 179.26 2jva h ASN 44 N 0.32 0.70 -0.43 1.72 -0.00 -1.66 -2.62 115.58 113.60 2jva h ASN 44 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jva h ASN 44 Cb 1.07 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 39.23 2jva h ASN 44 CO 0.10 0.49 0.00 0.00 -0.00 0.00 0.00 177.43 178.02 2jva n ALA 45 N -2.29 2.92 -1.31 1.57 0.00 -1.22 -5.01 120.51 115.16 2jva n ALA 45 Ca 0.06 -1.78 -0.30 0.00 0.00 0.00 0.00 53.44 51.42 2jva n ALA 45 Cb 0.06 -0.78 0.22 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.29 1.65 0.00 0.00 1.04 -0.85 -4.93 113.70 109.32 2jva s SER 46 Ca 0.42 0.59 0.21 0.00 0.48 0.00 0.00 55.95 57.65 2jva s SER 46 Cb 0.29 -0.82 0.97 0.00 0.10 0.00 0.00 66.02 66.57 2jva s SER 46 CO 0.16 -3.67 1.67 -0.24 0.98 0.00 0.00 173.24 172.14 2jva n SER 47 N -4.45 0.98 -4.75 7.02 2.88 -1.26 -4.88 113.62 109.16 2jva n SER 47 Ca 0.13 -1.54 -0.41 0.00 -1.33 0.00 0.00 58.87 55.71 2jva n SER 47 Cb 0.59 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2jva n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jva s LEU 48 N -1.64 4.43 0.51 2.46 1.02 -1.26 -4.81 118.68 119.38 2jva s LEU 48 Ca 0.32 2.53 -0.22 0.00 0.02 0.00 0.00 54.13 56.78 2jva s LEU 48 Cb 0.16 -3.63 -0.07 0.00 0.02 0.00 0.00 46.19 42.68 2jva s LEU 48 CO 0.26 -0.52 1.25 -0.81 0.02 0.00 0.00 176.35 176.55 2jva n PRO 49 N 1.81 1.61 -0.34 1.29 -0.04 -1.26 -4.68 135.00 133.39 2jva n PRO 49 Ca 0.03 0.59 0.23 0.00 -0.04 0.00 0.00 63.50 64.31 2jva n PRO 49 Cb 0.42 -2.42 0.49 0.00 -0.04 0.00 0.00 33.50 31.94 2jva n PRO 49 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2jva h PRO 50 N 1.46 0.40 0.26 0.54 0.13 -1.97 -0.97 132.00 131.85 2jva h PRO 50 Ca -0.49 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2jva h PRO 50 Cb 1.31 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jva h PRO 50 CO 0.57 0.27 -0.22 0.35 -0.23 0.00 0.00 178.00 178.73 2jva h PHE 51 N 0.41 -0.58 -0.40 1.56 3.57 -2.00 0.14 116.94 119.65 2jva h PHE 51 Ca 0.64 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 62.00 2jva h PHE 51 Cb 1.53 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 2jva h PHE 51 CO -0.00 -0.33 -0.30 1.88 -2.23 0.00 0.00 178.31 177.32 2jva h TYR 52 N -0.50 1.07 -0.37 0.41 -1.99 -1.63 -2.87 116.97 111.09 2jva h TYR 52 Ca -0.01 -0.30 0.01 0.00 2.00 0.00 0.00 58.73 60.43 2jva h TYR 52 Cb 0.45 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 2jva h TYR 52 CO -0.14 1.11 0.23 -0.22 -0.00 0.00 0.00 178.16 179.14 2jva h LYS 53 N 0.72 0.45 -0.46 4.88 3.64 -1.09 -2.34 116.57 122.39 2jva h LYS 53 Ca 0.07 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2jva h LYS 53 Cb 0.89 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2jva h LYS 53 CO 0.08 0.30 0.29 1.49 -2.27 0.00 0.00 179.45 179.34 2jva h GLU 54 N 0.47 0.57 -0.65 1.90 4.22 -0.69 -0.71 114.58 119.69 2jva h GLU 54 Ca 0.14 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.57 2jva h GLU 54 Cb -0.03 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2jva h GLU 54 CO -0.05 0.38 0.41 0.00 -2.18 0.00 0.00 179.01 177.56 2jva h ARG 55 N 0.59 0.77 -0.31 1.92 3.08 -1.27 -1.53 114.38 117.62 2jva h ARG 55 Ca 0.17 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2jva h ARG 55 Cb -0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2jva h ARG 55 CO -0.06 0.51 0.05 -0.07 -1.07 0.00 0.00 179.97 179.34 2jva h LEU 56 N 0.80 0.50 -2.02 3.04 3.38 -0.96 -2.80 115.31 117.25 2jva h LEU 56 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jva h LEU 56 Cb 0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jva h LEU 56 CO -0.10 0.63 -0.03 -0.07 0.09 0.00 0.00 178.44 178.95 2jva h LEU 57 N 0.34 0.00 -3.72 1.67 3.38 -0.80 -2.36 115.31 113.83 2jva h LEU 57 Ca 0.09 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.67 2jva h LEU 57 Cb 0.34 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.86 2jva h LEU 57 CO 0.01 0.03 0.29 0.00 0.09 0.00 0.00 178.44 178.86 2jva n ALA 58 N -2.49 5.13 -1.94 1.53 0.00 -0.61 -4.78 120.51 117.36 2jva n ALA 58 Ca -0.03 -3.12 -0.24 0.00 0.00 0.00 0.00 53.44 50.05 2jva n ALA 58 Cb 0.12 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.36 2.94 -0.13 0.00 1.43 -0.89 -4.99 118.68 113.69 2jva s LEU 59 Ca 0.52 0.32 0.16 0.00 -1.03 0.00 0.00 54.13 54.10 2jva s LEU 59 Cb 0.45 -3.03 0.59 0.00 0.03 0.00 0.00 46.19 44.23 2jva s LEU 59 CO 0.04 -1.48 1.50 -3.20 0.23 0.00 0.00 176.35 173.45 2jva n ASN 60 N -2.76 4.23 -4.88 2.29 4.05 -1.26 -5.01 115.26 111.92 2jva n ASN 60 Ca 0.08 -2.60 -0.30 0.00 0.45 0.00 0.00 54.58 52.22 2jva n ASN 60 Cb 0.60 -0.51 0.06 0.00 1.23 0.00 0.00 39.78 41.16 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 -1.24 5.25 -0.00 1.20 2.15 -1.26 -5.00 116.67 117.75 2jva s ASP 61 Ca 0.43 1.08 0.15 0.00 0.43 0.00 0.00 52.55 54.64 2jva s ASP 61 Cb 0.30 -1.82 -0.18 0.00 -0.30 0.00 0.00 42.92 40.92 2jva s ASP 61 CO 0.17 -1.46 0.57 -1.54 -0.17 0.00 0.00 175.17 172.73 2jva n SER 62 N -3.08 0.88 0.05 -0.34 3.41 -1.26 -4.42 113.62 108.86 2jva n SER 62 Ca 0.07 -0.66 -0.22 0.00 -0.26 0.00 0.00 58.87 57.80 2jva n SER 62 Cb 0.58 1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 65.54 2jva n SER 62 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jva h ARG 63 N 0.00 0.33 -5.90 4.33 2.47 -1.95 -3.44 114.38 110.23 2jva h ARG 63 Ca 0.00 -0.57 -0.59 0.00 -1.26 0.00 0.00 59.98 57.56 2jva h ARG 63 Cb 0.43 0.21 -0.09 0.00 -1.65 0.00 0.00 29.97 28.88 2jva h ARG 63 CO 0.00 1.26 0.53 0.42 0.56 0.00 0.00 179.97 182.74 2jva s ILE 64 N -2.57 4.75 0.41 2.04 1.01 -1.26 -1.59 121.20 123.98 2jva s ILE 64 Ca -0.18 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 61.86 2jva s ILE 64 Cb 0.06 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2jva s ILE 64 CO 0.82 -0.23 0.74 0.42 0.00 0.00 0.00 174.94 176.69 2jva s THR 65 N 3.07 4.86 -1.24 2.92 -4.23 -0.19 -4.70 115.64 116.13 2jva s THR 65 Ca 0.36 0.40 0.14 0.00 -1.18 0.00 0.00 61.69 61.42 2jva s THR 65 Cb -0.14 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.12 2jva s THR 65 CO 0.11 -0.58 1.42 -1.20 -0.54 0.00 0.00 174.62 173.83 2jva n SER 66 N -1.51 0.00 0.22 3.99 7.64 -1.26 -1.88 113.62 120.82 2jva n SER 66 Ca 0.01 0.27 0.14 0.00 1.01 0.00 0.00 58.87 60.30 2jva n SER 66 Cb 0.54 -0.38 0.45 0.00 -1.01 0.00 0.00 64.21 63.81 2jva n SER 66 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2jva h ASP 67 N 0.00 0.00 0.00 6.43 3.58 -1.93 -3.46 116.42 121.03 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 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2jva h ASP 67 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2jva n GLY 68 N 0.56 1.17 3.08 -0.78 0.00 -0.79 -4.92 105.19 103.52 2jva n GLY 68 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 1.17 -0.27 1.61 1.01 -1.25 -0.33 120.40 120.34 2jva s VAL 69 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 2jva s VAL 69 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2jva s VAL 69 CO 0.00 0.35 0.20 -0.51 0.00 0.00 0.00 175.10 175.13 2jva s ILE 70 N 0.07 5.31 -0.12 2.22 2.07 -0.05 -1.02 121.20 129.67 2jva s ILE 70 Ca -0.03 0.20 -0.01 0.00 -1.41 0.00 0.00 60.65 59.40 2jva s ILE 70 Cb -0.10 -3.54 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 2jva s ILE 70 CO 0.01 0.26 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.51 2jva s VAL 71 N 1.70 3.37 0.09 4.00 1.01 -0.62 -1.63 120.40 128.32 2jva s VAL 71 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2jva s VAL 71 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2jva s VAL 71 CO 0.10 0.53 -0.05 -0.76 0.00 0.00 0.00 175.10 174.93 2jva s LEU 72 N 0.09 2.45 -0.27 3.92 1.02 -0.47 -4.77 118.68 120.66 2jva s LEU 72 Ca -0.04 -1.02 -0.01 0.00 0.02 0.00 0.00 54.13 53.08 2jva s LEU 72 Cb -0.14 0.01 0.08 0.00 0.02 0.00 0.00 46.19 46.16 2jva s LEU 72 CO 0.04 -0.52 0.04 -0.54 0.02 0.00 0.00 176.35 175.40 2jva s LYS 73 N -3.87 0.96 -0.62 1.70 1.02 -1.26 -0.42 119.74 117.24 2jva s LYS 73 Ca 0.12 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 54.93 2jva s LYS 73 Cb 0.06 -2.24 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 2jva s LYS 73 CO -0.05 -0.81 0.94 0.00 -0.92 0.00 0.00 175.35 174.51 2jva s ALA 74 N 1.58 3.14 -0.42 5.17 0.00 0.68 -4.90 121.76 127.01 2jva s ALA 74 Ca 0.04 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.38 2jva s ALA 74 Cb -0.18 -3.80 0.17 0.00 0.00 0.00 0.00 23.12 19.31 2jva s ALA 74 CO -0.15 -2.64 0.52 -1.14 0.00 0.00 0.00 175.76 172.34 2jva s GLN 75 N 3.98 0.81 0.00 0.00 -0.44 -1.26 -0.47 119.66 122.28 2jva s GLN 75 Ca 0.24 -0.85 0.00 0.00 -2.50 0.00 0.00 55.36 52.25 2jva s GLN 75 Cb -0.16 -0.42 0.00 0.00 -1.64 0.00 0.00 33.01 30.79 2jva s GLN 75 CO 0.13 -1.24 0.00 0.94 0.50 0.00 0.00 175.29 175.62 2jva n GLN 76 N 3.91 0.00 -2.09 1.67 -0.06 -1.26 -5.06 117.38 114.49 2jva n GLN 76 Ca 0.14 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.86 2jva n GLN 76 Cb 0.51 -0.39 0.17 0.00 -4.06 0.00 0.00 30.24 26.47 2jva n GLN 76 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2jva s TYR 77 N -1.26 1.56 0.08 3.69 1.51 -1.26 -5.01 117.35 116.66 2jva s TYR 77 Ca 0.00 0.16 -0.16 0.00 -1.01 0.00 0.00 57.07 56.06 2jva s TYR 77 Cb 0.00 -3.86 -0.11 0.00 -0.11 0.00 0.00 41.96 37.87 2jva s TYR 77 CO 0.00 -2.45 1.37 -0.09 -1.11 0.00 0.00 175.55 173.27 2jva h ARG 78 N -1.39 0.62 -6.17 -0.62 2.43 -1.99 -3.46 114.38 103.80 2jva h ARG 78 Ca -0.42 -0.36 -0.55 0.00 -0.81 0.00 0.00 59.98 57.83 2jva h ARG 78 Cb 1.24 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.73 2jva h ARG 78 CO 0.38 0.97 -0.62 0.95 -1.51 0.00 0.00 179.97 180.14 2jva s THR 79 N -4.21 3.37 0.25 0.20 -4.23 -1.26 -4.40 115.64 105.36 2jva s THR 79 Ca -0.13 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2jva s THR 79 Cb 0.08 -2.88 0.04 0.00 1.34 0.00 0.00 72.50 71.08 2jva s THR 79 CO 0.82 -0.33 1.67 1.56 -0.54 0.00 0.00 174.62 177.80 2jva h GLN 80 N 1.81 0.56 -0.79 3.99 4.20 -1.84 -3.01 115.11 120.04 2jva h GLN 80 Ca -0.44 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.06 2jva h GLN 80 Cb 1.25 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 2jva h GLN 80 CO 0.61 0.79 0.52 0.93 -0.67 0.00 0.00 178.83 181.01 2jva h GLU 81 N 0.49 0.99 -0.02 1.46 5.08 -1.95 0.34 114.58 120.96 2jva h GLU 81 Ca 0.06 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2jva h GLU 81 Cb 0.74 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jva h GLU 81 CO 0.06 0.66 -0.96 1.96 -1.00 0.00 0.00 179.01 179.73 2jva h GLN 82 N 1.02 0.69 -0.35 2.33 1.08 -1.97 -3.07 115.11 114.85 2jva h GLN 82 Ca 0.30 -0.71 -0.04 0.00 -1.45 0.00 0.00 58.65 56.74 2jva h GLN 82 Cb -0.05 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2jva h GLN 82 CO -0.08 1.30 0.04 -0.91 -0.95 0.00 0.00 178.83 178.23 2jva h ASN 83 N 0.37 0.49 -0.34 1.46 2.35 -1.24 -1.68 115.58 116.99 2jva h ASN 83 Ca -0.11 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2jva h ASN 83 Cb 1.62 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.81 2jva h ASN 83 CO 0.19 0.53 0.03 -0.09 -1.65 0.00 0.00 177.43 176.45 2jva h ARG 84 N 0.51 0.13 -0.31 0.81 2.43 -0.33 -0.57 114.38 117.06 2jva h ARG 84 Ca 0.12 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 2jva h ARG 84 Cb 0.27 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2jva h ARG 84 CO 0.00 0.09 -0.27 0.00 -1.51 0.00 0.00 179.97 178.29 2jva h ALA 85 N 1.27 0.45 -0.05 2.80 0.00 -1.33 -2.39 119.26 120.01 2jva h ALA 85 Ca 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jva h ALA 85 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jva h ALA 85 CO -0.24 0.45 0.03 0.22 0.00 0.00 0.00 179.25 179.71 2jva h ASP 86 N 0.48 0.07 -0.68 0.00 1.82 -1.17 -1.72 116.42 115.23 2jva h ASP 86 Ca 0.05 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 2jva h ASP 86 Cb 0.83 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.79 2jva h ASP 86 CO 0.07 0.13 0.40 0.00 -1.61 0.00 0.00 179.24 178.22 2jva h ALA 87 N 0.94 0.87 -0.45 -0.78 0.00 -1.10 0.26 119.26 119.00 2jva h ALA 87 Ca 0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2jva h ALA 87 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2jva h ALA 87 CO -0.00 0.36 -0.13 -0.07 0.00 0.00 0.00 179.25 179.41 2jva h LEU 88 N 0.93 0.82 -0.39 0.00 3.38 -1.33 0.14 115.31 118.85 2jva h LEU 88 Ca 0.24 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2jva h LEU 88 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jva h LEU 88 CO -0.04 0.96 -0.06 0.25 0.09 0.00 0.00 178.44 179.64 2jva h LEU 89 N 0.74 0.73 -0.80 1.67 5.85 -0.84 -2.77 115.31 119.88 2jva h LEU 89 Ca 0.12 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2jva h LEU 89 Cb 0.63 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2jva h LEU 89 CO 0.04 0.90 0.47 -0.09 -0.34 0.00 0.00 178.44 179.42 2jva h ARG 90 N 0.54 1.10 0.07 1.25 2.43 -0.15 -0.20 114.38 119.42 2jva h ARG 90 Ca 0.10 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2jva h ARG 90 Cb 0.56 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2jva h ARG 90 CO 0.03 0.79 -0.08 1.25 -1.51 0.00 0.00 179.97 180.45 2jva h LEU 91 N 1.11 -0.23 -0.49 3.80 5.85 -0.91 -0.42 115.31 124.02 2jva h LEU 91 Ca 0.29 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2jva h LEU 91 Cb -0.01 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2jva h LEU 91 CO -0.05 -0.13 0.30 0.28 -0.34 0.00 0.00 178.44 178.50 2jva h SER 92 N -0.18 0.59 -0.91 1.25 0.02 -1.18 -2.11 113.55 111.03 2jva h SER 92 Ca 0.01 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2jva h SER 92 Cb 0.18 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2jva h SER 92 CO -0.04 0.46 0.59 -0.33 -1.14 0.00 0.00 176.83 176.38 2jva h GLU 93 N 0.66 1.14 -0.29 3.45 4.39 -0.84 -1.51 114.58 121.58 2jva h GLU 93 Ca 0.18 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jva h GLU 93 Cb -0.02 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 2jva h GLU 93 CO -0.03 0.75 0.18 1.25 -1.16 0.00 0.00 179.01 180.01 2jva h LEU 94 N 1.17 0.33 -0.30 1.33 7.12 -0.62 -0.32 115.31 124.03 2jva h LEU 94 Ca 0.35 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.36 2jva h LEU 94 Cb -0.05 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 39.96 2jva h LEU 94 CO -0.10 0.26 0.13 0.40 -0.13 0.00 0.00 178.44 178.99 2jva h ILE 95 N 0.38 0.96 -0.67 4.05 2.04 -0.86 -0.17 117.51 123.24 2jva h ILE 95 Ca 0.10 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 2jva h ILE 95 Cb -0.03 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2jva h ILE 95 CO -0.02 0.05 0.26 0.58 0.00 0.00 0.00 178.15 179.02 2jva h VAL 96 N 0.27 1.24 -0.48 1.67 2.07 -1.07 -2.87 116.25 117.08 2jva h VAL 96 Ca 0.13 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 2jva h VAL 96 Cb 0.07 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2jva h VAL 96 CO -0.11 0.30 -0.10 0.78 0.02 0.00 0.00 177.57 178.46 2jva h ASN 97 N 0.95 0.88 0.68 0.57 2.35 -0.64 -2.70 115.58 117.66 2jva h ASN 97 Ca 0.22 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2jva h ASN 97 Cb 0.22 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2jva h ASN 97 CO -0.02 1.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.76 2jva n ALA 98 N -2.49 1.62 0.04 -0.83 0.00 -0.11 -1.79 120.51 116.95 2jva n ALA 98 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 2jva n ALA 98 Cb 0.38 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.54 2jva n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jva h ALA 99 N 2.25 0.78 0.00 0.00 0.00 -1.33 -3.24 119.26 117.73 2jva h ALA 99 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2jva h ALA 99 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jva h ALA 99 CO 0.00 0.69 -1.62 1.63 0.00 0.00 0.00 179.25 179.95 2jva n LYS 100 N -3.94 0.64 -2.98 0.00 4.01 -0.92 -4.86 118.16 110.11 2jva n LYS 100 Ca -0.03 -0.06 -0.41 0.00 -0.51 0.00 0.00 58.31 57.30 2jva n LYS 100 Cb 0.60 -1.64 -0.05 0.00 -0.51 0.00 0.00 35.03 33.43 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 -4.89 4.20 -0.02 -0.35 1.43 -0.74 -4.90 118.68 113.41 2jva s LEU 101 Ca -0.05 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2jva s LEU 101 Cb 0.12 -3.11 0.05 0.00 0.03 0.00 0.00 46.19 43.28 2jva s LEU 101 CO 0.86 -0.30 0.85 -1.84 0.23 0.00 0.00 176.35 176.15 2jva n GLU 102 N 4.86 0.81 -4.18 1.70 -0.00 -1.26 -4.80 120.64 117.77 2jva n GLU 102 Ca 0.02 -1.19 -0.17 0.00 -0.00 0.00 0.00 57.16 55.82 2jva n GLU 102 Cb 0.50 -0.77 -0.06 0.00 -0.00 0.00 0.00 31.44 31.11 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 -0.68 1.39 0.08 -1.84 3.76 -1.26 -5.07 115.29 111.67 2jva s HIS 103 Ca 0.05 -1.47 -0.24 0.00 -0.15 0.00 0.00 55.06 53.25 2jva s HIS 103 Cb 0.05 -0.39 -0.16 0.00 1.11 0.00 0.00 32.58 33.19 2jva s HIS 103 CO 0.01 -1.00 1.70 1.25 -0.85 0.00 0.00 174.74 175.84 2jva h HIS 104 N 2.13 -0.11 0.00 1.40 -0.00 -2.00 -3.46 115.15 113.12 2jva h HIS 104 Ca -0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 2jva h HIS 104 Cb 1.24 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 2jva h HIS 104 CO 1.57 -0.05 0.00 1.58 -0.00 0.00 0.00 177.93 181.03 2jva n HIS 105 N -5.13 0.00 0.00 5.26 -0.00 -1.26 -4.48 115.22 109.61 2jva n HIS 105 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2jva n HIS 105 Cb 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 2jva n HIS 105 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jva n HIS 106 N 0.00 0.00 0.00 1.57 -0.00 -1.26 -5.10 115.22 110.43 2jva n HIS 106 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jva n HIS 106 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jva n HIS 106 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jva n HIS 107 N 0.00 0.00 -1.81 1.57 -0.00 -1.26 -5.08 115.22 108.64 2jva n HIS 107 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jva n HIS 107 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jva n HIS 107 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38