#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hji s ALA 2 N 0.00 -0.78 -0.05 7.33 0.00 -1.26 -4.81 121.76 122.19 2hji s ALA 2 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2hji s ALA 2 Cb 0.00 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2hji s ALA 2 CO 0.00 -0.27 -0.03 -1.17 0.00 0.00 0.00 175.76 174.29 2hji s LEU 3 N -1.39 1.09 -0.02 0.00 2.96 -1.23 -3.06 118.68 117.02 2hji s LEU 3 Ca -0.13 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2hji s LEU 3 Cb -0.05 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.21 2hji s LEU 3 CO 0.04 -0.10 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.97 2hji s THR 4 N 1.26 0.86 -0.14 3.68 2.01 -0.97 -3.27 115.64 119.08 2hji s THR 4 Ca -0.06 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2hji s THR 4 Cb -0.14 -0.75 0.06 0.00 0.01 0.00 0.00 72.50 71.69 2hji s THR 4 CO -0.02 0.26 0.17 -0.63 -0.69 0.00 0.00 174.62 173.71 2hji s ILE 5 N 0.01 -0.26 0.43 1.82 1.01 -1.15 -0.88 121.20 122.18 2hji s ILE 5 Ca -0.00 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.84 2hji s ILE 5 Cb -0.07 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 2hji s ILE 5 CO 0.00 -0.03 0.26 0.72 0.00 0.00 0.00 174.94 175.90 2hji s PHE 6 N 2.29 2.50 0.44 3.97 -0.71 -1.23 -3.87 117.98 121.37 2hji s PHE 6 Ca 0.04 -0.60 -0.16 0.00 -1.04 0.00 0.00 56.93 55.18 2hji s PHE 6 Cb -0.14 -2.01 -0.08 0.00 -1.21 0.00 0.00 43.02 39.58 2hji s PHE 6 CO -0.08 0.01 0.89 0.45 -1.34 0.00 0.00 175.22 175.15 2hji s SER 7 N -4.02 6.68 0.60 1.98 0.15 -1.19 -3.36 113.70 114.54 2hji s SER 7 Ca 0.42 1.44 0.40 0.00 0.70 0.00 0.00 55.95 58.91 2hji s SER 7 Cb 0.01 -2.45 2.14 0.00 -1.71 0.00 0.00 66.02 64.02 2hji s SER 7 CO 0.24 -0.44 2.23 1.62 1.20 0.00 0.00 173.24 178.08 2hji h VAL 8 N 1.29 0.00 0.03 4.45 3.04 -1.27 -2.19 116.25 121.60 2hji h VAL 8 Ca -0.47 -0.05 -0.35 0.00 -1.01 0.00 0.00 66.70 64.81 2hji h VAL 8 Cb 1.18 0.98 -0.05 0.00 -2.01 0.00 0.00 31.29 31.38 2hji h VAL 8 CO 0.63 0.00 -2.13 1.17 -1.01 0.00 0.00 177.57 176.23 2hji n LYS 9 N -2.95 0.68 -3.79 4.17 4.81 -1.26 -4.67 118.16 115.14 2hji n LYS 9 Ca -0.02 0.17 -0.32 0.00 -0.87 0.00 0.00 58.31 57.26 2hji n LYS 9 Cb 0.09 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.40 2hji n LYS 9 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hji s ASP 10 N -6.18 5.22 0.04 3.14 1.01 -0.83 -4.89 116.67 114.18 2hji s ASP 10 Ca -0.16 -3.59 0.27 0.00 0.71 0.00 0.00 52.55 49.78 2hji s ASP 10 Cb 0.07 -1.76 0.82 0.00 1.01 0.00 0.00 42.92 43.06 2hji s ASP 10 CO 0.77 -0.17 1.65 -0.81 0.21 0.00 0.00 175.17 176.82 2hji n PRO 11 N 2.42 0.07 0.07 8.23 -0.04 -1.21 -3.14 135.00 141.39 2hji n PRO 11 Ca 0.17 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2hji n PRO 11 Cb 0.36 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 2hji n PRO 11 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2hji h GLN 12 N 0.00 0.00 -3.66 0.54 1.08 -1.91 -3.43 115.11 107.73 2hji h GLN 12 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 2hji h GLN 12 Cb 0.56 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.59 2hji h GLN 12 CO 0.00 0.14 -0.75 -0.80 -0.95 0.00 0.00 178.83 176.46 2hji s ASN 13 N -5.57 4.08 0.27 1.46 0.01 -1.25 -5.11 114.94 108.83 2hji s ASN 13 Ca -0.01 -1.67 -0.29 0.00 -0.71 0.00 0.00 52.86 50.18 2hji s ASN 13 Cb 0.09 -0.93 -0.09 0.00 0.41 0.00 0.00 41.25 40.73 2hji s ASN 13 CO 0.80 -0.41 1.03 -0.94 -1.51 0.00 0.00 177.10 176.07 2hji s SER 14 N 1.56 7.40 -0.16 -1.22 1.04 -1.26 -4.69 113.70 116.36 2hji s SER 14 Ca 0.10 2.12 0.06 0.00 0.48 0.00 0.00 55.95 58.71 2hji s SER 14 Cb -0.17 -2.62 0.42 0.00 0.10 0.00 0.00 66.02 63.75 2hji s SER 14 CO -0.23 -0.04 1.27 -0.11 0.98 0.00 0.00 173.24 175.10 2hji n LEU 15 N 1.23 3.98 -3.15 2.42 7.94 -1.25 -4.71 117.00 123.46 2hji n LEU 15 Ca -0.01 -2.04 0.04 0.00 -1.11 0.00 0.00 56.01 52.89 2hji n LEU 15 Cb 0.46 -0.62 -0.01 0.00 0.53 0.00 0.00 43.42 43.78 2hji n LEU 15 CO 0.52 0.55 0.26 0.86 -1.11 0.00 0.00 177.39 178.47 2hji s TRP 16 N -1.90 -1.36 -0.04 1.96 -0.00 -1.25 -5.08 118.94 111.27 2hji s TRP 16 Ca 0.30 1.24 -0.02 0.00 -0.00 0.00 0.00 56.10 57.62 2hji s TRP 16 Cb 0.23 0.40 0.03 0.00 -0.00 0.00 0.00 33.47 34.14 2hji s TRP 16 CO 0.08 -0.76 0.07 -1.58 -0.00 0.00 0.00 176.95 174.76 2hji s HIS 17 N 2.88 0.02 -0.19 5.86 2.46 -1.26 -2.92 115.29 122.13 2hji s HIS 17 Ca 0.15 0.29 -0.26 0.00 0.47 0.00 0.00 55.06 55.71 2hji s HIS 17 Cb -0.12 -0.40 0.07 0.00 -0.13 0.00 0.00 32.58 32.00 2hji s HIS 17 CO -0.20 -0.18 0.68 -1.12 -2.47 0.00 0.00 174.74 171.44 2hji s SER 18 N 1.98 -0.69 -0.35 9.88 0.01 -1.20 -5.07 113.70 118.26 2hji s SER 18 Ca 0.02 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2hji s SER 18 Cb -0.12 1.12 0.11 0.00 0.21 0.00 0.00 66.02 67.34 2hji s SER 18 CO -0.03 -0.36 0.14 0.28 0.41 0.00 0.00 173.24 173.68 2hji s THR 19 N -0.16 1.01 0.05 1.44 -1.32 -1.26 -3.53 115.64 111.88 2hji s THR 19 Ca -0.04 -1.74 0.01 0.00 -1.21 0.00 0.00 61.69 58.71 2hji s THR 19 Cb -0.03 -1.75 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 2hji s THR 19 CO 0.04 -0.75 -0.06 0.21 -2.21 0.00 0.00 174.62 171.85 2hji s ASN 20 N 1.24 0.74 0.08 8.08 3.04 -1.26 -4.98 114.94 121.87 2hji s ASN 20 Ca 0.12 -0.73 -0.34 0.00 0.04 0.00 0.00 52.86 51.96 2hji s ASN 20 Cb -0.20 0.09 -0.18 0.00 -1.54 0.00 0.00 41.25 39.43 2hji s ASN 20 CO -0.17 -0.35 1.61 0.00 -3.04 0.00 0.00 177.10 175.15 2hji h ALA 21 N 3.93 -0.99 0.00 1.71 0.00 -1.99 0.17 119.26 122.09 2hji h ALA 21 Ca -0.35 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 2hji h ALA 21 Cb 1.18 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2hji h ALA 21 CO 0.51 -1.07 -0.38 0.93 0.00 0.00 0.00 179.25 179.24 2hji h GLU 22 N -0.97 0.00 -0.06 0.00 5.08 -1.98 -2.18 114.58 114.47 2hji h GLU 22 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2hji h GLU 22 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2hji h GLU 22 CO 0.09 0.38 -0.07 0.93 -1.00 0.00 0.00 179.01 179.35 2hji h GLU 23 N 0.00 0.14 -0.79 2.33 4.39 -1.88 -0.81 114.58 117.97 2hji h GLU 23 Ca -0.00 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2hji h GLU 23 Cb 0.68 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2hji h GLU 23 CO 0.05 0.61 0.35 0.82 -1.16 0.00 0.00 179.01 179.68 2hji h ILE 24 N -0.32 1.25 -0.40 3.13 2.04 -0.62 -1.84 117.51 120.77 2hji h ILE 24 Ca 0.01 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2hji h ILE 24 Cb 0.59 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2hji h ILE 24 CO 0.02 0.32 -0.08 1.56 0.00 0.00 0.00 178.15 179.96 2hji h GLN 25 N 1.12 0.75 -0.50 2.37 4.20 -1.38 -1.95 115.11 119.72 2hji h GLN 25 Ca 0.27 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2hji h GLN 25 Cb 0.17 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2hji h GLN 25 CO -0.03 0.88 0.12 1.96 -0.67 0.00 0.00 178.83 181.09 2hji h GLN 26 N 0.56 0.81 -0.28 1.46 4.20 -0.91 -0.57 115.11 120.37 2hji h GLN 26 Ca 0.10 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2hji h GLN 26 Cb 0.59 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2hji h GLN 26 CO 0.04 0.78 -0.18 1.96 -0.67 0.00 0.00 178.83 180.75 2hji h GLN 27 N 0.69 0.62 -0.62 1.46 1.08 -1.32 -1.18 115.11 115.85 2hji h GLN 27 Ca 0.16 -0.29 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 2hji h GLN 27 Cb 0.34 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2hji h GLN 27 CO 0.00 0.88 0.00 -0.07 -0.95 0.00 0.00 178.83 178.69 2hji h LEU 28 N 0.36 1.06 -0.78 1.46 3.38 -1.31 -2.79 115.31 116.70 2hji h LEU 28 Ca 0.06 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 2hji h LEU 28 Cb 0.72 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2hji h LEU 28 CO 0.05 1.11 -0.33 0.78 0.09 0.00 0.00 178.44 180.14 2hji h ASN 29 N 0.99 0.56 0.11 -0.43 -0.26 -0.72 0.85 115.58 116.67 2hji h ASN 29 Ca 0.17 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 2hji h ASN 29 Cb 0.56 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2hji h ASN 29 CO 0.03 0.85 -0.03 0.00 -1.06 0.00 0.00 177.43 177.22 2hji h ALA 30 N 1.18 1.40 -0.28 -0.83 0.00 -0.94 0.41 119.26 120.20 2hji h ALA 30 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hji h ALA 30 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2hji h ALA 30 CO 0.07 0.04 0.00 1.17 0.00 0.00 0.00 179.25 180.52 2hji n LYS 31 N -3.70 2.34 -0.76 0.00 4.81 -0.98 -4.93 118.16 114.94 2hji n LYS 31 Ca -0.03 -2.12 0.00 0.00 -0.87 0.00 0.00 58.31 55.29 2hji n LYS 31 Cb 0.12 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.70 2hji n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hji n GLY 32 N 1.36 0.69 3.58 3.14 0.00 0.13 -5.01 105.19 109.08 2hji n GLY 32 Ca 0.17 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2hji n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hji s VAL 33 N -2.00 4.35 0.23 1.61 1.01 0.29 -4.74 120.40 121.15 2hji s VAL 33 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2hji s VAL 33 Cb 0.00 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 2hji s VAL 33 CO 0.00 0.49 0.65 -0.13 0.00 0.00 0.00 175.10 176.11 2hji s ARG 34 N 0.25 4.03 -0.08 2.72 0.52 -1.26 -2.39 118.95 122.75 2hji s ARG 34 Ca 0.00 0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 55.78 2hji s ARG 34 Cb -0.13 -2.72 0.04 0.00 0.52 0.00 0.00 34.95 32.65 2hji s ARG 34 CO 0.02 0.33 0.18 0.12 0.02 0.00 0.00 175.30 175.97 2hji s PHE 35 N -1.69 -0.22 0.04 -0.53 5.36 -1.26 -3.82 117.98 115.85 2hji s PHE 35 Ca 0.46 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 56.96 2hji s PHE 35 Cb -0.13 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.52 2hji s PHE 35 CO 0.19 -0.17 0.06 -2.00 -1.46 0.00 0.00 175.22 171.84 2hji s GLU 36 N 0.95 0.56 -0.39 10.12 2.56 -1.24 -4.96 118.70 126.30 2hji s GLU 36 Ca -0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 54.97 53.94 2hji s GLU 36 Cb -0.09 0.21 0.01 0.00 2.00 0.00 0.00 34.13 36.26 2hji s GLU 36 CO -0.05 -0.13 0.29 0.50 -0.56 0.00 0.00 175.26 175.31 2hji s ARG 37 N -2.69 3.12 -0.03 4.30 3.52 -1.26 -1.95 118.95 123.96 2hji s ARG 37 Ca -0.04 -0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 54.63 2hji s ARG 37 Cb -0.01 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2hji s ARG 37 CO -0.05 -0.67 0.10 -1.58 -0.81 0.00 0.00 175.30 172.28 2hji s TRP 38 N 1.71 3.35 -0.26 5.12 0.52 -0.81 -4.98 118.94 123.59 2hji s TRP 38 Ca 0.06 0.27 -0.15 0.00 0.02 0.00 0.00 56.10 56.30 2hji s TRP 38 Cb -0.19 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2hji s TRP 38 CO 0.10 0.58 0.36 -0.65 0.02 0.00 0.00 176.95 177.36 2hji s GLN 39 N -1.58 4.04 -0.93 4.98 -0.21 -1.26 -4.39 119.66 120.31 2hji s GLN 39 Ca 0.21 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.63 2hji s GLN 39 Cb -0.12 -3.63 0.32 0.00 1.00 0.00 0.00 33.01 30.58 2hji s GLN 39 CO 0.12 -0.22 1.57 0.00 -2.12 0.00 0.00 175.29 174.64 2hji n ALA 40 N 5.14 5.62 1.27 6.09 0.00 -1.25 -4.68 120.51 132.70 2hji n ALA 40 Ca -0.09 -4.66 0.13 0.00 0.00 0.00 0.00 53.44 48.82 2hji n ALA 40 Cb 0.51 -1.86 0.37 0.00 0.00 0.00 0.00 19.45 18.47 2hji n ALA 40 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hji n ASP 41 N 0.09 2.04 -4.67 0.00 5.68 -1.26 -4.86 116.55 113.57 2hji n ASP 41 Ca 0.41 -1.69 -0.41 0.00 -0.50 0.00 0.00 54.79 52.60 2hji n ASP 41 Cb 0.30 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.21 2hji n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2hji s ARG 42 N -1.95 4.28 0.03 0.11 0.52 -1.26 -5.03 118.95 115.64 2hji s ARG 42 Ca 0.35 0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 56.24 2hji s ARG 42 Cb 0.20 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 2hji s ARG 42 CO 0.32 -0.29 0.63 -0.51 0.02 0.00 0.00 175.30 175.47 2hji s ASP 43 N 1.16 7.06 0.00 0.23 1.01 -1.26 -4.95 116.67 119.91 2hji s ASP 43 Ca 0.35 1.26 0.09 0.00 0.71 0.00 0.00 52.55 54.96 2hji s ASP 43 Cb -0.16 -2.39 0.21 0.00 1.01 0.00 0.00 42.92 41.59 2hji s ASP 43 CO 0.12 0.12 1.13 0.00 0.21 0.00 0.00 175.17 176.75 2hji n LEU 44 N 2.52 2.56 0.00 1.23 -0.00 -1.26 -5.09 117.00 116.97 2hji n LEU 44 Ca -0.06 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.12 2hji n LEU 44 Cb 0.51 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2hji n LEU 44 CO 0.44 0.62 0.00 0.61 -0.00 0.00 0.00 177.39 179.06 2hji n GLY 45 N 0.35 0.61 0.09 1.47 0.00 -1.26 -4.87 105.19 101.57 2hji n GLY 45 Ca 0.09 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 2hji n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hji h ALA 46 N 0.00 0.13 -3.06 4.61 0.00 -2.05 -3.44 119.26 115.45 2hji h ALA 46 Ca 0.00 -0.81 -0.63 0.00 0.00 0.00 0.00 54.91 53.47 2hji h ALA 46 Cb 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 17.79 18.05 2hji h ALA 46 CO 0.00 0.41 -0.56 0.00 0.00 0.00 0.00 179.25 179.10 2hji s ALA 47 N -2.39 3.41 0.16 0.00 0.00 -1.26 -5.07 121.76 116.60 2hji s ALA 47 Ca -0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 2hji s ALA 47 Cb 0.02 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.90 2hji s ALA 47 CO 0.52 -0.25 0.98 -1.25 0.00 0.00 0.00 175.76 175.76 2hji s PRO 48 N 1.17 4.72 0.34 0.00 0.04 -1.26 -5.05 135.00 134.96 2hji s PRO 48 Ca 0.06 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2hji s PRO 48 Cb -0.14 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2hji s PRO 48 CO 0.04 0.27 0.08 2.41 0.04 0.00 0.00 177.00 179.85 2hji n THR 49 N 2.38 0.00 -0.06 1.26 -1.04 -1.26 -4.96 114.28 110.60 2hji n THR 49 Ca 0.01 -1.50 -0.12 0.00 -2.04 0.00 0.00 64.05 60.40 2hji n THR 49 Cb 0.48 0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 69.04 2hji n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hji h ALA 50 N 1.02 -0.01 -0.71 2.41 0.00 -1.97 -2.13 119.26 117.87 2hji h ALA 50 Ca -0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2hji h ALA 50 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2hji h ALA 50 CO 0.42 -0.02 0.45 0.93 0.00 0.00 0.00 179.25 181.03 2hji h GLU 51 N -0.97 0.95 0.46 0.00 5.08 -1.98 -0.50 114.58 117.62 2hji h GLU 51 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2hji h GLU 51 Cb 0.81 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2hji h GLU 51 CO 0.00 0.65 -0.22 0.00 -1.00 0.00 0.00 179.01 178.44 2hji h THR 52 N 0.97 0.00 -1.31 1.13 1.03 -1.98 -1.63 112.91 111.12 2hji h THR 52 Ca 0.26 -0.47 0.38 0.00 -0.01 0.00 0.00 66.41 66.56 2hji h THR 52 Cb -0.07 0.00 -0.06 0.00 -1.07 0.00 0.00 68.15 66.94 2hji h THR 52 CO -0.05 0.00 0.93 0.58 -0.01 0.00 0.00 175.52 176.97 2hji h VAL 53 N -1.10 0.33 0.21 0.00 2.07 -1.35 0.04 116.25 116.46 2hji h VAL 53 Ca -0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2hji h VAL 53 Cb 0.48 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2hji h VAL 53 CO 0.10 0.01 -0.10 0.40 0.02 0.00 0.00 177.57 178.00 2hji h ILE 54 N 0.05 0.68 -0.59 4.57 1.08 -0.93 -2.73 117.51 119.63 2hji h ILE 54 Ca 0.65 -1.02 -0.06 0.00 -0.39 0.00 0.00 64.86 64.04 2hji h ILE 54 Cb 2.46 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 37.32 2hji h ILE 54 CO -0.06 0.17 0.13 0.00 -0.69 0.00 0.00 178.15 177.70 2hji h ALA 55 N -0.46 1.10 0.52 1.87 0.00 -0.08 0.03 119.26 122.25 2hji h ALA 55 Ca -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2hji h ALA 55 Cb 0.50 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2hji h ALA 55 CO 0.05 0.59 -0.25 0.00 0.00 0.00 0.00 179.25 179.64 2hji h ALA 56 N 1.24 -0.72 0.00 0.00 0.00 -1.18 -2.87 119.26 115.73 2hji h ALA 56 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hji h ALA 56 Cb 0.35 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2hji h ALA 56 CO 0.00 -0.67 0.00 0.66 0.00 0.00 0.00 179.25 179.24 2hji n TYR 57 N -5.14 0.00 -0.01 0.00 4.01 -1.03 -3.73 117.16 111.26 2hji n TYR 57 Ca -0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.55 2hji n TYR 57 Cb 0.28 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.23 2hji n TYR 57 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2hji h GLN 58 N 0.07 0.11 -0.28 -0.72 5.75 -0.74 0.12 115.11 119.41 2hji h GLN 58 Ca 0.00 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2hji h GLN 58 Cb 0.16 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2hji h GLN 58 CO 0.00 0.07 0.35 1.12 -2.65 0.00 0.00 178.83 177.72 2hji h HIS 59 N 0.11 0.00 0.09 3.99 2.07 -1.77 0.21 115.15 119.85 2hji h HIS 59 Ca 0.05 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.27 2hji h HIS 59 Cb 0.02 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.98 2hji h HIS 59 CO -0.10 0.00 -1.52 0.00 -3.07 0.00 0.00 177.93 173.25 2hji h ALA 60 N 1.57 0.36 -0.64 6.11 0.00 -1.31 -3.13 119.26 122.23 2hji h ALA 60 Ca 0.13 -1.15 -0.03 0.00 0.00 0.00 0.00 54.91 53.86 2hji h ALA 60 Cb 0.82 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2hji h ALA 60 CO -0.00 1.23 0.28 0.82 0.00 0.00 0.00 179.25 181.58 2hji h ILE 61 N 0.05 1.22 0.00 0.00 2.04 0.10 -1.94 117.51 118.98 2hji h ILE 61 Ca -0.23 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 64.85 2hji h ILE 61 Cb 1.99 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2hji h ILE 61 CO 0.14 0.26 -0.66 -0.78 0.00 0.00 0.00 178.15 177.11 2hji h ASP 62 N 0.91 0.00 -0.18 1.72 3.58 -1.49 -3.25 116.42 117.71 2hji h ASP 62 Ca 0.22 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2hji h ASP 62 Cb 0.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2hji h ASP 62 CO -0.02 0.66 0.09 0.50 -2.88 0.00 0.00 179.24 177.59 2hji h LYS 63 N 0.00 0.26 -0.02 0.28 3.64 -1.29 -3.15 116.57 116.29 2hji h LYS 63 Ca -0.01 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2hji h LYS 63 Cb 1.27 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2hji h LYS 63 CO 0.09 0.29 -0.13 1.25 -2.27 0.00 0.00 179.45 178.67 2hji h LEU 64 N 0.17 -0.42 -7.24 5.20 5.85 -1.53 -3.41 115.31 113.93 2hji h LEU 64 Ca 0.06 0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.62 2hji h LEU 64 Cb 0.11 0.16 -0.32 0.00 0.37 0.00 0.00 40.66 40.98 2hji h LEU 64 CO -0.01 -0.12 -0.51 -0.69 -0.34 0.00 0.00 178.44 176.76 2hji s VAL 65 N -3.67 -0.31 -0.41 1.05 1.01 -1.21 -5.10 120.40 111.76 2hji s VAL 65 Ca -0.04 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 2hji s VAL 65 Cb 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 36.04 2hji s VAL 65 CO 0.15 0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.59 2hji s ALA 66 N 2.10 3.26 0.02 5.51 0.00 -1.19 -4.77 121.76 126.69 2hji s ALA 66 Ca -0.02 -2.11 -0.28 0.00 0.00 0.00 0.00 51.96 49.55 2hji s ALA 66 Cb -0.12 -2.61 0.10 0.00 0.00 0.00 0.00 23.12 20.49 2hji s ALA 66 CO -0.09 -1.62 0.98 -1.83 0.00 0.00 0.00 175.76 173.20 2hji s GLU 67 N 1.42 0.84 0.00 0.00 -1.05 -1.26 -5.14 118.70 113.51 2hji s GLU 67 Ca 0.03 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 2hji s GLU 67 Cb -0.23 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 2hji s GLU 67 CO 0.02 -0.38 0.00 1.63 0.95 0.00 0.00 175.26 177.48 2hji n LYS 68 N -0.32 0.00 -0.17 -4.83 4.01 -1.26 -3.66 118.16 111.93 2hji n LYS 68 Ca -0.07 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.85 2hji n LYS 68 Cb 0.61 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 35.34 2hji n LYS 68 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2hji n GLY 69 N 0.00 1.64 4.30 0.72 0.00 -1.26 -4.95 105.19 105.63 2hji n GLY 69 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2hji n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hji n TYR 70 N 1.47 -1.22 0.00 1.61 4.02 -1.24 -4.15 117.16 117.65 2hji n TYR 70 Ca 0.19 0.60 0.00 0.00 -0.01 0.00 0.00 57.90 58.68 2hji n TYR 70 Cb 0.60 -2.64 0.00 0.00 -0.02 0.00 0.00 39.34 37.28 2hji n TYR 70 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2hji n GLN 71 N -4.45 0.00 -3.75 -0.72 1.13 -1.18 -4.34 117.38 104.07 2hji n GLN 71 Ca -0.28 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.76 2hji n GLN 71 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.00 2hji n GLN 71 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2hji s SER 72 N -4.00 -0.11 0.06 1.08 1.04 -1.25 -5.08 113.70 105.44 2hji s SER 72 Ca 0.00 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.11 2hji s SER 72 Cb 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2hji s SER 72 CO 0.00 -0.73 -0.14 -1.66 0.98 0.00 0.00 173.24 171.69 2hji s TRP 73 N -2.83 1.20 0.19 5.02 -2.14 -1.26 -3.95 118.94 115.18 2hji s TRP 73 Ca 0.15 -0.43 -0.04 0.00 2.66 0.00 0.00 56.10 58.43 2hji s TRP 73 Cb 0.00 -0.68 -0.03 0.00 -3.10 0.00 0.00 33.47 29.66 2hji s TRP 73 CO 0.01 0.05 0.21 -0.51 -2.66 0.00 0.00 176.95 174.05 2hji s ASP 74 N -1.57 0.11 0.21 -2.66 1.01 -1.14 -4.96 116.67 107.67 2hji s ASP 74 Ca -0.01 -1.20 0.11 0.00 0.71 0.00 0.00 52.55 52.16 2hji s ASP 74 Cb -0.09 0.42 -0.05 0.00 1.01 0.00 0.00 42.92 44.21 2hji s ASP 74 CO 0.02 -0.89 -0.23 -0.69 0.21 0.00 0.00 175.17 173.59 2hji s VAL 75 N -4.09 2.36 -0.34 -1.27 1.01 -1.26 -1.57 120.40 115.24 2hji s VAL 75 Ca 0.30 -2.10 0.02 0.00 0.00 0.00 0.00 61.98 60.20 2hji s VAL 75 Cb 0.05 -2.15 0.10 0.00 0.00 0.00 0.00 36.38 34.38 2hji s VAL 75 CO 0.08 -0.18 0.09 -0.63 0.00 0.00 0.00 175.10 174.46 2hji s ILE 76 N -1.84 1.76 -0.06 2.22 1.01 -0.99 -4.92 121.20 118.36 2hji s ILE 76 Ca 0.22 -2.08 0.05 0.00 0.00 0.00 0.00 60.65 58.85 2hji s ILE 76 Cb -0.07 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2hji s ILE 76 CO 0.11 -0.65 -0.22 -0.94 0.00 0.00 0.00 174.94 173.24 2hji s SER 77 N 1.06 3.38 -0.20 3.58 1.04 -1.26 -3.35 113.70 117.95 2hji s SER 77 Ca 0.11 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.05 2hji s SER 77 Cb -0.19 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.03 2hji s SER 77 CO -0.13 0.27 0.05 -0.76 0.98 0.00 0.00 173.24 173.65 2hji s LEU 78 N -0.28 3.61 -0.01 2.42 1.02 -1.26 -5.00 118.68 119.19 2hji s LEU 78 Ca 0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 54.13 54.09 2hji s LEU 78 Cb -0.13 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2hji s LEU 78 CO 0.03 0.10 0.14 -0.13 0.02 0.00 0.00 176.35 176.51 2hji s ARG 79 N 0.80 3.29 0.36 1.70 3.00 -1.26 -4.28 118.95 122.56 2hji s ARG 79 Ca 0.03 -0.39 0.24 0.00 0.00 0.00 0.00 55.73 55.61 2hji s ARG 79 Cb -0.14 -3.00 0.48 0.00 0.00 0.00 0.00 34.95 32.29 2hji s ARG 79 CO 0.02 0.66 1.64 0.00 0.00 0.00 0.00 175.30 177.63 2hji h ALA 80 N 3.90 0.98 -0.25 2.13 0.00 -1.99 -3.15 119.26 120.89 2hji h ALA 80 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2hji h ALA 80 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2hji h ALA 80 CO 0.67 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.67 2hji n ASP 81 N -2.81 2.86 -4.09 0.00 8.00 -1.26 -4.82 116.55 114.44 2hji n ASP 81 Ca 0.04 -2.35 -0.23 0.00 0.71 0.00 0.00 54.79 52.96 2hji n ASP 81 Cb 0.50 -0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 2hji n ASP 81 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2hji s ASN 82 N -0.38 1.71 0.00 -2.24 -0.87 -1.19 -5.01 114.94 106.96 2hji s ASN 82 Ca 0.23 -0.27 0.23 0.00 -1.57 0.00 0.00 52.86 51.47 2hji s ASN 82 Cb 0.17 -0.36 1.16 0.00 -0.02 0.00 0.00 41.25 42.20 2hji s ASN 82 CO 0.07 0.14 1.73 -0.81 -2.57 0.00 0.00 177.10 175.67 2hji n PRO 83 N 3.02 0.37 -0.03 -0.60 -0.04 -1.26 -3.05 135.00 133.39 2hji n PRO 83 Ca -0.17 0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2hji n PRO 83 Cb 0.54 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.71 2hji n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hji n GLN 84 N -1.25 1.18 0.08 0.54 6.02 -1.26 -3.42 117.38 119.27 2hji n GLN 84 Ca 0.11 -0.28 -0.03 0.00 -0.01 0.00 0.00 57.00 56.79 2hji n GLN 84 Cb 0.17 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 2hji n GLN 84 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2hji h LYS 85 N 0.50 0.00 0.00 -1.09 3.64 -1.82 -2.10 116.57 115.70 2hji h LYS 85 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2hji h LYS 85 Cb 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2hji h LYS 85 CO 0.00 0.69 -0.04 0.93 -2.27 0.00 0.00 179.45 178.76 2hji h GLU 86 N 0.00 0.00 0.00 1.90 5.08 -1.84 -3.30 114.58 116.41 2hji h GLU 86 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2hji h GLU 86 Cb 1.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2hji h GLU 86 CO 0.09 0.91 -0.25 0.00 -1.00 0.00 0.00 179.01 178.76 2hji h ALA 87 N -0.11 1.27 0.00 3.43 0.00 -1.73 -2.15 119.26 119.97 2hji h ALA 87 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2hji h ALA 87 Cb 0.92 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2hji h ALA 87 CO -0.01 0.31 -0.05 -0.07 0.00 0.00 0.00 179.25 179.44 2hji h LEU 88 N 0.00 0.00 0.95 0.00 3.38 -1.45 -2.36 115.31 115.82 2hji h LEU 88 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2hji h LEU 88 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2hji h LEU 88 CO 0.03 0.05 -0.46 0.03 0.09 0.00 0.00 178.44 178.18 2hji h ARG 89 N 0.00 -1.23 0.00 1.13 2.47 -1.46 -0.36 114.38 114.93 2hji h ARG 89 Ca -0.00 0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2hji h ARG 89 Cb 0.17 0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2hji h ARG 89 CO 0.01 -0.82 -0.03 1.49 0.56 0.00 0.00 179.97 181.18 2hji h GLU 90 N -1.34 0.00 -0.50 0.04 4.81 -1.68 0.43 114.58 116.34 2hji h GLU 90 Ca -0.13 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2hji h GLU 90 Cb 0.98 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2hji h GLU 90 CO 0.21 0.03 0.06 -0.22 -0.73 0.00 0.00 179.01 178.36 2hji h LYS 91 N 0.00 0.84 0.00 1.92 1.63 -0.87 -3.17 116.57 116.92 2hji h LYS 91 Ca -0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2hji h LYS 91 Cb 0.07 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2hji h LYS 91 CO 0.00 0.85 -0.90 1.19 -3.45 0.00 0.00 179.45 177.14 2hji n PHE 92 N -4.38 0.00 0.94 1.91 3.72 -0.20 -4.37 117.46 115.07 2hji n PHE 92 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 2hji n PHE 92 Cb 0.27 -0.06 0.23 0.00 -0.94 0.00 0.00 39.48 38.98 2hji n PHE 92 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2hji n LEU 93 N -1.48 1.91 -4.96 4.37 4.77 0.15 -3.32 117.00 118.43 2hji n LEU 93 Ca 0.02 -0.91 -0.21 0.00 -0.03 0.00 0.00 56.01 54.88 2hji n LEU 93 Cb 0.27 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2hji n LEU 93 CO 0.32 0.45 0.16 0.54 -1.33 0.00 0.00 177.39 177.53 2hji s ASN 94 N -1.19 5.04 0.01 -1.43 4.22 -1.20 -4.91 114.94 115.49 2hji s ASN 94 Ca 0.27 -0.87 -0.30 0.00 -2.14 0.00 0.00 52.86 49.82 2hji s ASN 94 Cb 0.14 0.00 -0.05 0.00 1.28 0.00 0.00 41.25 42.63 2hji s ASN 94 CO 0.20 -1.04 1.20 -1.61 -2.04 0.00 0.00 177.10 173.81 2hji s GLU 95 N -4.40 4.40 -0.08 3.55 8.01 -1.26 -4.74 118.70 124.18 2hji s GLU 95 Ca 0.50 1.73 -0.01 0.00 0.01 0.00 0.00 54.97 57.19 2hji s GLU 95 Cb -0.05 -3.45 0.03 0.00 -4.31 0.00 0.00 34.13 26.35 2hji s GLU 95 CO 0.31 -0.35 0.01 -1.58 0.01 0.00 0.00 175.26 173.66 2hji s HIS 96 N 1.62 0.66 0.07 1.61 5.65 -1.26 -5.06 115.29 118.59 2hji s HIS 96 Ca 0.58 -0.19 0.03 0.00 0.25 0.00 0.00 55.06 55.73 2hji s HIS 96 Cb -0.27 -0.80 -0.03 0.00 -1.18 0.00 0.00 32.58 30.30 2hji s HIS 96 CO 0.26 -0.34 -0.10 0.99 -0.65 0.00 0.00 174.74 174.91 2hji s THR 97 N 1.98 0.80 0.16 0.89 2.01 -1.26 -4.02 115.64 116.19 2hji s THR 97 Ca 0.05 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 60.65 2hji s THR 97 Cb -0.12 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 2hji s THR 97 CO -0.05 -0.48 -0.03 -1.38 -0.69 0.00 0.00 174.62 171.99 2hji s HIS 98 N -2.01 1.17 -0.51 4.92 -3.43 -1.26 -5.03 115.29 109.15 2hji s HIS 98 Ca -0.01 -0.94 0.04 0.00 -0.80 0.00 0.00 55.06 53.35 2hji s HIS 98 Cb -0.06 -0.66 0.31 0.00 -1.43 0.00 0.00 32.58 30.75 2hji s HIS 98 CO -0.00 -0.14 1.14 0.41 -2.00 0.00 0.00 174.74 174.16 2hji n GLY 99 N -0.20 2.44 3.06 -1.38 0.00 -1.26 -2.59 105.19 105.25 2hji n GLY 99 Ca -0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2hji n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hji s GLU 100 N -1.58 0.22 -0.08 1.61 0.41 -1.26 -4.84 118.70 113.17 2hji s GLU 100 Ca 0.23 0.43 -0.30 0.00 -0.41 0.00 0.00 54.97 54.92 2hji s GLU 100 Cb 0.18 -0.03 -0.03 0.00 -1.78 0.00 0.00 34.13 32.46 2hji s GLU 100 CO 0.06 -0.11 1.32 0.16 -0.49 0.00 0.00 175.26 176.19 2hji s ASP 101 N 0.81 6.93 -0.01 -0.19 -4.77 -1.26 -4.48 116.67 113.70 2hji s ASP 101 Ca -0.06 1.88 -0.00 0.00 -3.30 0.00 0.00 52.55 51.07 2hji s ASP 101 Cb -0.07 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 2hji s ASP 101 CO -0.05 -0.71 0.07 -1.83 0.70 0.00 0.00 175.17 173.35 2hji s GLU 102 N 2.90 3.04 -0.04 2.11 4.04 -1.25 -4.90 118.70 124.61 2hji s GLU 102 Ca 0.59 -0.49 -0.03 0.00 0.04 0.00 0.00 54.97 55.08 2hji s GLU 102 Cb -0.26 -2.84 -0.04 0.00 0.02 0.00 0.00 34.13 31.01 2hji s GLU 102 CO 0.21 0.65 0.14 0.08 -1.84 0.00 0.00 175.26 174.50 2hji s VAL 103 N -1.17 5.23 -0.09 1.83 1.01 -0.67 -3.80 120.40 122.74 2hji s VAL 103 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2hji s VAL 103 Cb -0.12 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2hji s VAL 103 CO 0.13 0.41 -0.13 -0.13 0.00 0.00 0.00 175.10 175.38 2hji s ARG 104 N -1.63 1.94 -0.18 2.72 0.52 -1.15 -1.10 118.95 120.07 2hji s ARG 104 Ca 0.23 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2hji s ARG 104 Cb -0.12 -1.68 0.01 0.00 0.52 0.00 0.00 34.95 33.68 2hji s ARG 104 CO 0.13 -0.06 -0.16 0.12 0.02 0.00 0.00 175.30 175.35 2hji s PHE 105 N 0.99 2.80 0.69 -0.53 5.36 -0.49 -3.53 117.98 123.26 2hji s PHE 105 Ca -0.08 -1.31 -0.06 0.00 -0.96 0.00 0.00 56.93 54.52 2hji s PHE 105 Cb -0.15 -1.93 0.06 0.00 -0.34 0.00 0.00 43.02 40.66 2hji s PHE 105 CO -0.01 -0.65 1.00 -0.06 -1.46 0.00 0.00 175.22 174.04 2hji s PHE 106 N 1.14 2.93 0.00 10.12 0.40 -1.26 -1.22 117.98 130.08 2hji s PHE 106 Ca 0.01 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 2hji s PHE 106 Cb -0.14 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.24 2hji s PHE 106 CO -0.06 -1.35 0.00 1.33 0.70 0.00 0.00 175.22 175.84 2hji n VAL 107 N -2.87 0.00 -3.74 -0.44 0.24 -1.23 -4.15 118.33 106.14 2hji n VAL 107 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.24 2hji n VAL 107 Cb 0.60 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.83 2hji n VAL 107 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2hji s GLU 108 N -1.00 0.08 0.00 7.34 0.41 -1.26 -4.64 118.70 119.63 2hji s GLU 108 Ca 0.00 0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.94 2hji s GLU 108 Cb 0.00 -0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.16 2hji s GLU 108 CO 0.00 -0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.00 2hji n GLY 109 N 4.31 0.24 3.10 -1.39 0.00 -1.26 -1.02 105.19 109.17 2hji n GLY 109 Ca -0.25 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 2hji n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hji s ALA 110 N -1.47 0.87 -0.00 4.61 0.00 -1.26 -4.24 121.76 120.27 2hji s ALA 110 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2hji s ALA 110 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2hji s ALA 110 CO 0.00 0.10 -0.00 0.20 0.00 0.00 0.00 175.76 176.06 2hji s GLY 111 N -1.41 0.03 -0.17 0.00 0.00 -1.15 -4.88 107.32 99.74 2hji s GLY 111 Ca -0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 2hji s GLY 111 CO 0.01 0.02 0.67 -2.27 0.00 0.00 0.00 173.10 171.53 2hji s LEU 112 N 0.05 4.18 -0.13 0.66 2.96 -1.26 -2.80 118.68 122.33 2hji s LEU 112 Ca -0.00 0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 54.80 2hji s LEU 112 Cb -0.01 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2hji s LEU 112 CO -0.00 -0.26 0.03 0.12 -1.32 0.00 0.00 176.35 174.91 2hji s PHE 113 N 1.74 3.21 0.14 5.38 5.36 -0.89 -2.45 117.98 130.47 2hji s PHE 113 Ca 0.31 0.10 0.11 0.00 -0.96 0.00 0.00 56.93 56.49 2hji s PHE 113 Cb -0.16 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 2hji s PHE 113 CO 0.12 0.31 -0.24 0.00 -1.46 0.00 0.00 175.22 173.95 2hji s LEU 115 N -2.23 1.34 -0.38 0.00 1.43 -0.56 -4.04 118.68 114.24 2hji s LEU 115 Ca 0.17 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 2hji s LEU 115 Cb -0.10 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.79 2hji s LEU 115 CO 0.08 -0.06 0.23 -2.28 0.23 0.00 0.00 176.35 174.55 2hji s HIS 116 N 0.85 3.24 -0.08 0.29 2.46 -1.24 -1.86 115.29 118.95 2hji s HIS 116 Ca -0.10 -0.85 -0.02 0.00 0.47 0.00 0.00 55.06 54.55 2hji s HIS 116 Cb -0.13 -2.47 0.04 0.00 -0.13 0.00 0.00 32.58 29.88 2hji s HIS 116 CO -0.00 -0.62 0.05 0.42 -2.47 0.00 0.00 174.74 172.11 2hji s ILE 117 N 1.59 0.05 0.00 0.89 1.01 -1.18 -4.58 121.20 118.98 2hji s ILE 117 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2hji s ILE 117 Cb -0.19 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2hji s ILE 117 CO 0.07 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2hji n GLY 118 N 5.24 2.30 2.04 6.18 0.00 -1.26 -2.79 105.19 116.91 2hji n GLY 118 Ca -0.05 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2hji n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hji n ASP 119 N 2.25 4.27 -4.05 1.61 5.68 -1.26 -4.93 116.55 120.12 2hji n ASP 119 Ca 0.00 -3.68 -0.14 0.00 -0.50 0.00 0.00 54.79 50.47 2hji n ASP 119 Cb 0.00 -0.81 -0.12 0.00 -1.14 0.00 0.00 41.12 39.05 2hji n ASP 119 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2hji s GLU 120 N -3.40 0.54 -0.21 0.11 8.01 -1.12 -0.67 118.70 121.96 2hji s GLU 120 Ca 0.56 -0.67 -0.01 0.00 0.01 0.00 0.00 54.97 54.86 2hji s GLU 120 Cb 0.47 -0.36 0.01 0.00 -4.31 0.00 0.00 34.13 29.94 2hji s GLU 120 CO 0.06 0.07 -0.11 0.08 0.01 0.00 0.00 175.26 175.38 2hji s VAL 121 N -1.15 2.68 0.05 2.63 1.01 -1.21 -3.07 120.40 121.34 2hji s VAL 121 Ca -0.07 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 2hji s VAL 121 Cb -0.09 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 2hji s VAL 121 CO 0.00 0.39 0.51 -0.36 0.00 0.00 0.00 175.10 175.64 2hji s PHE 122 N 1.35 3.77 -0.30 5.22 0.40 -0.78 -3.52 117.98 124.12 2hji s PHE 122 Ca 0.03 1.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.54 2hji s PHE 122 Cb -0.15 -2.41 0.09 0.00 0.51 0.00 0.00 43.02 41.06 2hji s PHE 122 CO -0.07 0.60 0.02 -1.14 0.70 0.00 0.00 175.22 175.33 2hji s GLN 123 N -1.15 1.38 -0.12 0.44 0.74 -0.06 -1.50 119.66 119.38 2hji s GLN 123 Ca 0.27 -1.41 0.01 0.00 0.05 0.00 0.00 55.36 54.28 2hji s GLN 123 Cb -0.18 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 2hji s GLN 123 CO 0.17 -0.84 -0.17 0.08 -0.55 0.00 0.00 175.29 173.98 2hji s VAL 124 N 1.22 2.66 0.16 1.34 1.01 -0.65 -2.29 120.40 123.85 2hji s VAL 124 Ca 0.05 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 2hji s VAL 124 Cb -0.19 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 2hji s VAL 124 CO -0.12 0.53 0.78 -0.76 0.00 0.00 0.00 175.10 175.54 2hji s LEU 125 N 0.43 4.59 -0.05 3.92 1.43 -1.17 -2.09 118.68 125.74 2hji s LEU 125 Ca -0.13 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.66 2hji s LEU 125 Cb -0.16 -3.30 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 2hji s LEU 125 CO 0.06 0.20 -0.17 0.00 0.23 0.00 0.00 176.35 176.67 2hji s GLU 127 N 0.11 1.38 0.00 0.00 2.02 -1.26 -2.95 118.70 117.99 2hji s GLU 127 Ca -0.06 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2hji s GLU 127 Cb -0.12 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.46 2hji s GLU 127 CO 0.03 -0.51 0.52 0.36 0.02 0.00 0.00 175.26 175.68 2hji n LYS 128 N -0.33 0.00 0.17 1.61 0.00 -1.26 -1.65 118.16 116.70 2hji n LYS 128 Ca 0.01 0.14 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 2hji n LYS 128 Cb 0.64 -1.63 -0.04 0.00 -0.00 0.00 0.00 35.03 34.00 2hji n LYS 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2hji h ASN 129 N 0.00 -0.44 -2.04 -5.58 -0.26 -1.85 -3.33 115.58 102.08 2hji h ASN 129 Ca 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2hji h ASN 129 Cb 0.27 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 2hji h ASN 129 CO 0.00 -0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.84 2hji n ASP 130 N -5.12 1.25 -3.38 5.81 8.00 -0.66 -1.92 116.55 120.53 2hji n ASP 130 Ca -0.06 -0.33 -0.12 0.00 0.71 0.00 0.00 54.79 54.98 2hji n ASP 130 Cb 0.21 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.22 2hji n ASP 130 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hji s LEU 131 N 0.00 -0.48 0.05 0.64 0.20 -0.82 -4.35 118.68 113.92 2hji s LEU 131 Ca 0.00 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2hji s LEU 131 Cb 0.00 0.85 -0.04 0.00 -0.43 0.00 0.00 46.19 46.57 2hji s LEU 131 CO 0.00 -0.34 0.15 -0.51 -0.29 0.00 0.00 176.35 175.36 2hji s ILE 132 N 2.47 5.01 -0.01 6.68 2.07 -1.23 -3.59 121.20 132.59 2hji s ILE 132 Ca 0.10 -0.51 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 2hji s ILE 132 Cb -0.15 -3.41 0.01 0.00 0.13 0.00 0.00 42.46 39.05 2hji s ILE 132 CO -0.22 0.17 0.03 -0.55 -1.91 0.00 0.00 174.94 172.46 2hji s SER 133 N -2.33 0.00 0.06 4.50 0.15 -1.25 -2.92 113.70 111.91 2hji s SER 133 Ca 0.31 0.05 0.02 0.00 0.70 0.00 0.00 55.95 57.04 2hji s SER 133 Cb -0.13 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2hji s SER 133 CO 0.23 -0.05 0.07 0.68 1.20 0.00 0.00 173.24 175.37 2hji s VAL 134 N 0.40 4.52 0.77 4.45 -7.23 -1.25 -4.23 120.40 117.83 2hji s VAL 134 Ca -0.03 -0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 2hji s VAL 134 Cb -0.05 -3.14 0.06 0.00 0.56 0.00 0.00 36.38 33.81 2hji s VAL 134 CO -0.01 0.18 1.12 -2.16 -0.31 0.00 0.00 175.10 173.93 2hji s PRO 135 N -2.20 2.09 1.21 4.82 0.04 -1.26 -3.81 135.00 135.89 2hji s PRO 135 Ca 0.27 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 2hji s PRO 135 Cb -0.12 -1.86 0.29 0.00 0.04 0.00 0.00 34.50 32.85 2hji s PRO 135 CO 0.19 -1.80 1.04 0.00 0.04 0.00 0.00 177.00 176.47 2hji s ALA 136 N -2.59 0.02 0.00 8.56 0.00 -1.26 -2.87 121.76 123.61 2hji s ALA 136 Ca 0.66 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2hji s ALA 136 Cb -0.21 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2hji s ALA 136 CO 0.52 -3.78 0.00 0.72 0.00 0.00 0.00 175.76 173.21 2hji n HIS 137 N -4.92 0.00 -3.84 0.00 8.25 -1.07 -4.91 115.22 108.74 2hji n HIS 137 Ca 0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.19 2hji n HIS 137 Cb 0.58 -1.34 -0.13 0.00 1.12 0.00 0.00 29.99 30.21 2hji n HIS 137 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2hji s THR 138 N -1.30 3.72 0.30 1.59 2.01 -1.14 -5.07 115.64 115.75 2hji s THR 138 Ca 0.00 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 2hji s THR 138 Cb 0.00 -2.76 -0.10 0.00 0.01 0.00 0.00 72.50 69.66 2hji s THR 138 CO 0.00 0.33 1.13 -2.16 -0.69 0.00 0.00 174.62 173.23 2hji s PRO 139 N 1.51 4.54 -0.01 4.92 0.04 -1.26 -4.84 135.00 139.91 2hji s PRO 139 Ca 0.05 1.86 0.01 0.00 0.04 0.00 0.00 61.00 62.96 2hji s PRO 139 Cb -0.15 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2hji s PRO 139 CO -0.00 0.10 -0.03 -3.38 0.04 0.00 0.00 177.00 173.73 2hji s HIS 140 N -1.20 0.29 0.09 0.56 -3.43 -1.26 -3.72 115.29 106.63 2hji s HIS 140 Ca 0.46 -0.04 0.06 0.00 -0.80 0.00 0.00 55.06 54.74 2hji s HIS 140 Cb -0.33 -0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 30.56 2hji s HIS 140 CO 0.42 -0.03 -0.15 1.67 -2.00 0.00 0.00 174.74 174.65 2hji s TRP 141 N 0.15 1.37 0.25 0.38 -2.14 -1.26 -4.22 118.94 113.47 2hji s TRP 141 Ca -0.01 -0.48 -0.08 0.00 2.66 0.00 0.00 56.10 58.19 2hji s TRP 141 Cb -0.04 -0.75 -0.07 0.00 -3.10 0.00 0.00 33.47 29.52 2hji s TRP 141 CO -0.00 0.11 0.55 -0.06 -2.66 0.00 0.00 176.95 174.89 2hji s PHE 142 N -1.48 3.44 -0.41 1.66 0.08 -1.21 -3.70 117.98 116.36 2hji s PHE 142 Ca 0.02 0.81 -0.17 0.00 0.12 0.00 0.00 56.93 57.71 2hji s PHE 142 Cb -0.09 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2hji s PHE 142 CO 0.03 0.23 0.44 0.34 -0.10 0.00 0.00 175.22 176.16 2hji s ASP 143 N -2.62 6.20 0.00 1.36 2.15 -1.03 -4.66 116.67 118.08 2hji s ASP 143 Ca 0.46 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2hji s ASP 143 Cb -0.11 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2hji s ASP 143 CO 0.24 -0.57 0.00 0.23 -0.17 0.00 0.00 175.17 174.91 2hji n MET 144 N 5.60 0.00 0.00 4.34 2.81 -1.26 -4.45 117.12 124.16 2hji n MET 144 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2hji n MET 144 Cb 0.48 -0.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.90 2hji n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hji n GLY 145 N 2.62 0.49 3.72 3.03 0.00 -1.26 -4.76 105.19 109.03 2hji n GLY 145 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2hji n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hji s SER 146 N 0.00 3.89 -0.64 1.61 0.01 -1.26 -5.08 113.70 112.23 2hji s SER 146 Ca 0.00 -1.67 0.03 0.00 1.31 0.00 0.00 55.95 55.62 2hji s SER 146 Cb 0.00 0.56 0.36 0.00 0.21 0.00 0.00 66.02 67.15 2hji s SER 146 CO 0.00 -0.89 1.25 -0.62 0.41 0.00 0.00 173.24 173.39 2hji n GLU 147 N -1.21 3.60 -2.95 12.44 1.02 -1.26 -5.05 120.64 127.22 2hji n GLU 147 Ca -0.17 -4.59 -0.39 0.00 -0.02 0.00 0.00 57.16 51.98 2hji n GLU 147 Cb 0.67 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.74 2hji n GLU 147 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2hji s PRO 148 N -3.70 4.60 -1.01 3.49 0.04 -1.26 -4.97 135.00 132.20 2hji s PRO 148 Ca 0.47 1.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 2hji s PRO 148 Cb 0.32 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.67 2hji s PRO 148 CO -0.18 0.56 1.40 0.54 0.04 0.00 0.00 177.00 179.36 2hji s ASN 149 N -1.17 6.53 -0.02 6.66 4.22 -1.26 -4.74 114.94 125.15 2hji s ASN 149 Ca 0.37 -1.57 -0.15 0.00 -2.14 0.00 0.00 52.86 49.37 2hji s ASN 149 Cb -0.23 -2.54 -0.05 0.00 1.28 0.00 0.00 41.25 39.70 2hji s ASN 149 CO 0.27 -1.43 0.40 0.72 -2.04 0.00 0.00 177.10 175.02 2hji s PHE 150 N 4.58 3.69 -0.19 1.54 -0.71 -1.26 -4.76 117.98 120.87 2hji s PHE 150 Ca 0.44 0.95 -0.08 0.00 -1.04 0.00 0.00 56.93 57.19 2hji s PHE 150 Cb -0.01 -2.30 -0.04 0.00 -1.21 0.00 0.00 43.02 39.46 2hji s PHE 150 CO -0.10 0.58 0.08 0.99 -1.34 0.00 0.00 175.22 175.44 2hji s THR 151 N -0.84 4.98 0.09 -4.49 2.01 -0.18 -4.08 115.64 113.13 2hji s THR 151 Ca 0.23 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.30 2hji s THR 151 Cb -0.16 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2hji s THR 151 CO 0.12 0.45 -0.09 0.00 -0.69 0.00 0.00 174.62 174.41 2hji s ALA 152 N 0.39 0.98 -0.09 7.40 0.00 -1.21 -3.47 121.76 125.76 2hji s ALA 152 Ca 0.05 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2hji s ALA 152 Cb -0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2hji s ALA 152 CO -0.00 -0.08 -0.20 0.42 0.00 0.00 0.00 175.76 175.90 2hji s ILE 153 N -2.51 1.74 -0.13 0.00 1.01 -0.36 -2.36 121.20 118.59 2hji s ILE 153 Ca 0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2hji s ILE 153 Cb -0.02 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 2hji s ILE 153 CO -0.01 0.49 -0.13 -0.60 0.00 0.00 0.00 174.94 174.69 2hji s ARG 154 N 0.45 3.36 -0.02 2.79 3.52 -0.61 -1.40 118.95 127.04 2hji s ARG 154 Ca -0.17 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 2hji s ARG 154 Cb -0.17 -2.64 -0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2hji s ARG 154 CO 0.07 0.24 -0.11 0.42 -0.81 0.00 0.00 175.30 175.11 2hji s ILE 155 N 0.29 0.94 0.00 4.11 1.01 -0.26 -2.87 121.20 124.42 2hji s ILE 155 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2hji s ILE 155 Cb -0.16 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2hji s ILE 155 CO 0.05 0.28 0.00 2.22 0.00 0.00 0.00 174.94 177.49