#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 -0.97 -0.02 -0.43 0.00 -1.26 -4.72 121.76 114.36 2hji s ALA 2 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2hji s ALA 2 Cb 0.00 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.41 2hji s ALA 2 CO 0.00 -0.41 0.01 -1.17 0.00 0.00 0.00 175.76 174.20 2hji s LEU 3 N -1.82 1.24 -0.04 0.00 2.96 -1.12 -3.16 118.68 116.74 2hji s LEU 3 Ca -0.07 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2hji s LEU 3 Cb -0.02 -0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.54 2hji s LEU 3 CO -0.00 -0.10 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.92 2hji s THR 4 N 0.90 1.01 -0.13 3.68 2.01 -0.73 -2.73 115.64 119.64 2hji s THR 4 Ca -0.08 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2hji s THR 4 Cb -0.12 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.55 2hji s THR 4 CO -0.02 0.31 0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 2hji s ILE 5 N 0.24 -0.17 0.44 1.82 1.01 -0.65 -1.32 121.20 122.56 2hji s ILE 5 Ca -0.05 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2hji s ILE 5 Cb -0.11 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 2hji s ILE 5 CO 0.01 -0.09 0.02 0.72 0.00 0.00 0.00 174.94 175.61 2hji s PHE 6 N 2.21 2.17 0.53 3.97 -0.71 -1.25 -3.02 117.98 121.88 2hji s PHE 6 Ca 0.04 -0.85 -0.18 0.00 -1.04 0.00 0.00 56.93 54.90 2hji s PHE 6 Cb -0.14 -1.62 -0.07 0.00 -1.21 0.00 0.00 43.02 39.98 2hji s PHE 6 CO -0.08 0.26 1.02 -1.12 -1.34 0.00 0.00 175.22 173.97 2hji s SER 7 N -3.73 6.27 0.67 1.98 0.01 -1.26 -3.37 113.70 114.26 2hji s SER 7 Ca 0.24 1.77 0.41 0.00 1.31 0.00 0.00 55.95 59.68 2hji s SER 7 Cb 0.06 -2.53 2.24 0.00 0.21 0.00 0.00 66.02 66.00 2hji s SER 7 CO 0.12 -0.83 2.27 1.62 0.41 0.00 0.00 173.24 176.82 2hji h VAL 8 N 1.01 0.00 0.00 3.43 3.04 -0.76 0.17 116.25 123.15 2hji h VAL 8 Ca -0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 2hji h VAL 8 Cb 1.21 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 2hji h VAL 8 CO 0.59 0.00 -0.72 0.11 -1.01 0.00 0.00 177.57 176.55 2hji h LYS 9 N 0.00 0.00 -3.22 4.17 1.57 -1.90 -3.39 116.57 113.79 2hji h LYS 9 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2hji h LYS 9 Cb 0.17 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.09 2hji h LYS 9 CO -0.00 0.12 -0.34 -0.51 -0.57 0.00 0.00 179.45 178.15 2hji s ASP 10 N -5.82 5.38 0.07 0.86 1.11 0.60 -4.90 116.67 113.98 2hji s ASP 10 Ca 0.02 -3.73 -0.07 0.00 0.18 0.00 0.00 52.55 48.95 2hji s ASP 10 Cb 0.08 -1.77 -0.29 0.00 1.07 0.00 0.00 42.92 42.01 2hji s ASP 10 CO 0.75 -0.15 1.12 1.55 1.18 0.00 0.00 175.17 179.63 2hji h PRO 11 N 5.78 0.34 0.00 8.23 0.13 -1.78 -3.33 132.00 141.38 2hji h PRO 11 Ca 0.14 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2hji h PRO 11 Cb 0.79 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2hji h PRO 11 CO 0.78 1.26 -1.22 1.04 -0.23 0.00 0.00 178.00 179.63 2hji n GLN 12 N -3.59 0.45 -2.44 0.86 6.02 -1.26 -4.47 117.38 112.95 2hji n GLN 12 Ca -0.10 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 2hji n GLN 12 Cb 1.03 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 30.65 2hji n GLN 12 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2hji n ASN 13 N -2.22 6.43 -4.48 1.08 4.13 -1.25 -4.96 115.26 114.00 2hji n ASN 13 Ca 0.00 -3.26 -0.44 0.00 1.68 0.00 0.00 54.58 52.56 2hji n ASN 13 Cb 0.49 -1.36 -0.09 0.00 -1.54 0.00 0.00 39.78 37.28 2hji n ASN 13 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2hji n SER 14 N 2.24 1.41 0.01 6.41 7.64 -1.26 -4.80 113.62 125.27 2hji n SER 14 Ca 0.43 0.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.40 2hji n SER 14 Cb 0.31 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2hji n SER 14 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2hji h LEU 15 N 13.97 -0.04 -8.96 -3.43 3.38 -1.87 -3.43 115.31 114.93 2hji h LEU 15 Ca -0.17 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.19 2hji h LEU 15 Cb 1.31 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.96 2hji h LEU 15 CO 1.20 0.04 0.21 0.86 0.09 0.00 0.00 178.44 180.83 2hji s TRP 16 N -1.53 3.26 -0.09 1.13 -0.00 -1.17 -5.01 118.94 115.53 2hji s TRP 16 Ca -0.01 0.79 -0.04 0.00 -0.00 0.00 0.00 56.10 56.84 2hji s TRP 16 Cb 0.00 -2.93 0.05 0.00 -0.00 0.00 0.00 33.47 30.59 2hji s TRP 16 CO 0.02 -0.39 0.20 -1.58 -0.00 0.00 0.00 176.95 175.20 2hji s HIS 17 N 2.60 -0.27 -0.02 5.86 5.65 -1.26 -1.63 115.29 126.21 2hji s HIS 17 Ca 0.27 0.70 -0.27 0.00 0.25 0.00 0.00 55.06 56.01 2hji s HIS 17 Cb -0.15 -0.06 0.06 0.00 -1.18 0.00 0.00 32.58 31.25 2hji s HIS 17 CO 0.10 -0.24 0.59 -1.12 -0.65 0.00 0.00 174.74 173.41 2hji s SER 18 N 1.62 -0.55 -0.37 9.88 0.01 -1.11 -5.05 113.70 118.13 2hji s SER 18 Ca -0.05 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2hji s SER 18 Cb -0.11 0.50 0.12 0.00 0.21 0.00 0.00 66.02 66.74 2hji s SER 18 CO -0.07 -0.61 0.18 0.28 0.41 0.00 0.00 173.24 173.42 2hji s THR 19 N -1.49 0.92 0.04 1.44 -1.32 -1.26 -2.78 115.64 111.18 2hji s THR 19 Ca -0.10 -1.90 -0.02 0.00 -1.21 0.00 0.00 61.69 58.45 2hji s THR 19 Cb -0.01 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2hji s THR 19 CO 0.06 -0.82 0.02 0.20 -2.21 0.00 0.00 174.62 171.87 2hji s ASN 20 N 1.02 0.29 0.06 8.08 0.02 -1.26 -5.00 114.94 118.15 2hji s ASN 20 Ca 0.14 -0.67 -0.35 0.00 -1.02 0.00 0.00 52.86 50.97 2hji s ASN 20 Cb -0.21 0.18 -0.20 0.00 0.02 0.00 0.00 41.25 41.04 2hji s ASN 20 CO -0.10 -0.47 1.56 0.00 0.02 0.00 0.00 177.10 178.10 2hji h ALA 21 N 3.80 -1.15 0.00 0.60 0.00 -1.99 0.06 119.26 120.59 2hji h ALA 21 Ca -0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2hji h ALA 21 Cb 1.18 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2hji h ALA 21 CO 0.52 -1.13 -0.23 1.49 0.00 0.00 0.00 179.25 179.89 2hji h GLU 22 N -1.17 0.00 -0.07 0.00 4.81 -1.98 -1.86 114.58 114.30 2hji h GLU 22 Ca -0.12 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2hji h GLU 22 Cb 0.88 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 2hji h GLU 22 CO 0.19 0.23 -0.12 0.93 -0.73 0.00 0.00 179.01 179.51 2hji h GLU 23 N 0.00 0.21 -0.73 1.92 3.07 -1.91 -0.96 114.58 116.18 2hji h GLU 23 Ca -0.00 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.66 2hji h GLU 23 Cb 0.42 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 2hji h GLU 23 CO 0.03 0.71 0.19 0.82 -1.40 0.00 0.00 179.01 179.36 2hji h ILE 24 N -0.26 1.26 -0.32 3.13 2.04 -0.82 -2.41 117.51 120.13 2hji h ILE 24 Ca 0.00 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2hji h ILE 24 Cb 0.69 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2hji h ILE 24 CO 0.03 0.37 0.00 1.56 0.00 0.00 0.00 178.15 180.11 2hji h GLN 25 N 1.10 0.57 -0.84 2.37 1.08 -1.34 -1.39 115.11 116.66 2hji h GLN 25 Ca 0.23 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2hji h GLN 25 Cb 0.35 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2hji h GLN 25 CO -0.00 0.70 0.53 1.96 -0.95 0.00 0.00 178.83 181.07 2hji h GLN 26 N 0.37 1.13 -0.31 1.46 4.20 -1.00 0.32 115.11 121.29 2hji h GLN 26 Ca 0.09 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2hji h GLN 26 Cb 0.44 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2hji h GLN 26 CO 0.02 0.78 -0.51 1.96 -0.67 0.00 0.00 178.83 180.40 2hji h GLN 27 N 1.15 0.89 0.16 1.46 4.20 -1.34 -1.05 115.11 120.58 2hji h GLN 27 Ca 0.31 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2hji h GLN 27 Cb -0.08 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2hji h GLN 27 CO -0.06 1.18 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.13 2hji h LEU 28 N 0.69 -0.19 -1.31 1.46 3.38 -0.96 -3.18 115.31 115.21 2hji h LEU 28 Ca 0.02 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2hji h LEU 28 Cb 1.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2hji h LEU 28 CO 0.12 0.33 0.04 0.78 0.09 0.00 0.00 178.44 179.80 2hji h ASN 29 N -0.80 0.46 0.00 -0.43 -0.26 -0.24 0.21 115.58 114.53 2hji h ASN 29 Ca -0.02 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2hji h ASN 29 Cb 0.53 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2hji h ASN 29 CO 0.04 0.50 0.00 0.00 -1.06 0.00 0.00 177.43 176.91 2hji h ALA 30 N 1.56 1.00 -0.40 -0.83 0.00 -1.20 0.16 119.26 119.55 2hji h ALA 30 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hji h ALA 30 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hji h ALA 30 CO 0.00 -0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2hji n LYS 31 N -2.88 2.86 -1.01 0.00 5.02 -0.36 -4.93 118.16 116.86 2hji n LYS 31 Ca -0.03 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 2hji n LYS 31 Cb 0.06 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2hji n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hji n GLY 32 N 0.66 0.59 3.54 0.72 0.00 0.57 -4.97 105.19 106.30 2hji n GLY 32 Ca 0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 4.16 0.36 1.61 1.01 0.60 -4.52 120.40 121.63 2hji s VAL 33 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2hji s VAL 33 Cb 0.00 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 2hji s VAL 33 CO 0.00 0.49 0.75 -0.13 0.00 0.00 0.00 175.10 176.21 2hji s ARG 34 N 0.31 3.90 -0.17 2.72 1.81 -1.18 -1.92 118.95 124.41 2hji s ARG 34 Ca -0.01 0.58 -0.15 0.00 -1.72 0.00 0.00 55.73 54.43 2hji s ARG 34 Cb -0.14 -2.41 0.05 0.00 -0.45 0.00 0.00 34.95 32.00 2hji s ARG 34 CO 0.02 0.07 0.45 0.12 -0.68 0.00 0.00 175.30 175.28 2hji s PHE 35 N -2.16 -0.52 0.20 -0.53 5.36 -1.26 -3.25 117.98 115.82 2hji s PHE 35 Ca 0.53 1.23 -0.12 0.00 -0.96 0.00 0.00 56.93 57.61 2hji s PHE 35 Cb -0.10 0.19 -0.00 0.00 -0.34 0.00 0.00 43.02 42.77 2hji s PHE 35 CO 0.24 -0.26 0.40 -1.21 -1.46 0.00 0.00 175.22 172.93 2hji s GLU 36 N 0.43 1.34 -0.23 10.12 0.41 -1.24 -5.05 118.70 124.48 2hji s GLU 36 Ca -0.02 -1.15 -0.03 0.00 -0.41 0.00 0.00 54.97 53.37 2hji s GLU 36 Cb -0.04 0.44 0.01 0.00 -1.78 0.00 0.00 34.13 32.75 2hji s GLU 36 CO -0.02 -0.53 -0.06 1.03 -0.49 0.00 0.00 175.26 175.19 2hji s ARG 37 N -3.97 3.16 0.09 1.61 0.52 -1.26 -1.51 118.95 117.59 2hji s ARG 37 Ca 0.18 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2hji s ARG 37 Cb 0.01 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 2hji s ARG 37 CO 0.03 -0.27 0.09 -1.58 0.02 0.00 0.00 175.30 173.58 2hji s TRP 38 N 1.41 3.19 -0.33 -0.53 0.52 -1.22 -4.94 118.94 117.04 2hji s TRP 38 Ca 0.04 0.07 -0.13 0.00 0.02 0.00 0.00 56.10 56.10 2hji s TRP 38 Cb -0.15 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2hji s TRP 38 CO -0.04 0.52 0.28 -0.65 0.02 0.00 0.00 176.95 177.08 2hji s GLN 39 N -2.45 3.61 -1.32 4.98 -0.21 -1.26 -4.41 119.66 118.61 2hji s GLN 39 Ca 0.29 -0.49 -0.09 0.00 0.02 0.00 0.00 55.36 55.09 2hji s GLN 39 Cb -0.12 -3.78 0.14 0.00 1.00 0.00 0.00 33.01 30.25 2hji s GLN 39 CO 0.22 -0.42 2.01 0.00 -2.12 0.00 0.00 175.29 174.98 2hji n ALA 40 N 5.20 5.63 1.19 6.09 0.00 -1.26 -4.57 120.51 132.79 2hji n ALA 40 Ca -0.11 -4.22 0.13 0.00 0.00 0.00 0.00 53.44 49.23 2hji n ALA 40 Cb 0.50 -3.03 0.26 0.00 0.00 0.00 0.00 19.45 17.18 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 3.82 2.36 -4.66 0.00 5.68 -1.26 -4.87 116.55 117.62 2hji n ASP 41 Ca 0.45 -1.77 -0.41 0.00 -0.50 0.00 0.00 54.79 52.56 2hji n ASP 41 Cb 0.35 0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.30 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 -2.03 4.22 -0.23 0.11 1.81 -1.26 -5.03 118.95 116.53 2hji s ARG 42 Ca 0.31 0.73 -0.13 0.00 -1.72 0.00 0.00 55.73 54.92 2hji s ARG 42 Cb 0.20 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 31.07 2hji s ARG 42 CO 0.33 -0.30 0.29 0.16 -0.68 0.00 0.00 175.30 175.10 2hji s ASP 43 N 1.23 6.25 0.00 0.23 1.47 -1.26 -4.94 116.67 119.65 2hji s ASP 43 Ca 0.31 0.28 0.24 0.00 1.18 0.00 0.00 52.55 54.56 2hji s ASP 43 Cb -0.16 -2.17 0.33 0.00 -0.34 0.00 0.00 42.92 40.58 2hji s ASP 43 CO 0.10 -0.04 1.34 0.18 0.68 0.00 0.00 175.17 177.44 2hji n LEU 44 N 4.60 3.02 0.00 2.11 7.99 -1.26 -5.07 117.00 128.39 2hji n LEU 44 Ca -0.11 -1.11 0.00 0.00 -0.01 0.00 0.00 56.01 54.78 2hji n LEU 44 Cb 0.51 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 2hji n LEU 44 CO 0.37 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.42 2hji n GLY 45 N 1.38 0.45 0.07 -0.72 0.00 -1.26 -4.80 105.19 100.31 2hji n GLY 45 Ca 0.16 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 0.02 -2.96 4.61 0.00 -2.05 -3.43 119.26 115.45 2hji h ALA 46 Ca 0.00 -0.51 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 2hji h ALA 46 Cb 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.69 2hji h ALA 46 CO 0.00 0.05 -0.49 0.00 0.00 0.00 0.00 179.25 178.81 2hji s ALA 47 N -2.26 3.56 -0.19 0.00 0.00 -1.26 -5.06 121.76 116.55 2hji s ALA 47 Ca -0.18 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 2hji s ALA 47 Cb -0.02 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 2hji s ALA 47 CO 0.63 -0.41 0.77 -1.25 0.00 0.00 0.00 175.76 175.50 2hji s PRO 48 N 1.49 4.24 0.57 0.00 0.04 -1.26 -5.00 135.00 135.08 2hji s PRO 48 Ca 0.08 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.06 2hji s PRO 48 Cb -0.15 -3.59 0.08 0.00 0.04 0.00 0.00 34.50 30.87 2hji s PRO 48 CO 0.08 -0.34 0.78 0.99 0.04 0.00 0.00 177.00 178.55 2hji s THR 49 N 2.23 2.36 -0.05 1.26 2.01 -1.26 -4.96 115.64 117.23 2hji s THR 49 Ca 0.35 -0.90 -0.24 0.00 0.31 0.00 0.00 61.69 61.21 2hji s THR 49 Cb -0.16 -2.46 -0.25 0.00 0.01 0.00 0.00 72.50 69.64 2hji s THR 49 CO 0.11 0.00 1.00 0.00 -0.69 0.00 0.00 174.62 175.04 2hji h ALA 50 N 0.13 0.02 -0.40 7.40 0.00 -1.97 -2.58 119.26 121.86 2hji h ALA 50 Ca -0.34 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 2hji h ALA 50 Cb 1.28 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2hji h ALA 50 CO 0.42 0.16 0.22 0.93 0.00 0.00 0.00 179.25 180.99 2hji h GLU 51 N -0.45 0.55 0.42 0.00 5.08 -1.98 -0.48 114.58 117.71 2hji h GLU 51 Ca -0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2hji h GLU 51 Cb 1.14 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2hji h GLU 51 CO 0.07 0.44 -0.20 0.00 -1.00 0.00 0.00 179.01 178.32 2hji h THR 52 N 0.51 0.00 -1.28 1.13 1.03 -1.98 -1.99 112.91 110.33 2hji h THR 52 Ca 0.14 -0.35 0.37 0.00 -0.01 0.00 0.00 66.41 66.56 2hji h THR 52 Cb 0.05 0.00 -0.07 0.00 -1.07 0.00 0.00 68.15 67.06 2hji h THR 52 CO -0.02 0.00 0.90 0.58 -0.01 0.00 0.00 175.52 176.97 2hji h VAL 53 N -0.91 0.34 0.37 0.00 2.07 -1.50 0.94 116.25 117.56 2hji h VAL 53 Ca -0.06 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2hji h VAL 53 Cb 0.43 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2hji h VAL 53 CO 0.09 0.01 -0.18 0.40 0.02 0.00 0.00 177.57 177.92 2hji h ILE 54 N 0.08 0.55 -0.50 4.57 2.04 -0.90 -2.60 117.51 120.75 2hji h ILE 54 Ca 0.65 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2hji h ILE 54 Cb 2.37 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 2hji h ILE 54 CO -0.10 0.09 0.21 0.00 0.00 0.00 0.00 178.15 178.35 2hji h ALA 55 N -0.43 1.43 0.51 1.87 0.00 -0.10 -0.74 119.26 121.81 2hji h ALA 55 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2hji h ALA 55 Cb 0.54 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2hji h ALA 55 CO 0.08 0.44 -0.25 0.00 0.00 0.00 0.00 179.25 179.53 2hji h ALA 56 N 1.52 -0.74 0.00 0.00 0.00 -1.22 -2.91 119.26 115.91 2hji h ALA 56 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hji h ALA 56 Cb 0.13 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hji h ALA 56 CO -0.02 -0.69 0.00 0.66 0.00 0.00 0.00 179.25 179.20 2hji n TYR 57 N -4.98 0.00 -0.19 0.00 4.01 -0.98 -3.70 117.16 111.31 2hji n TYR 57 Ca -0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.59 2hji n TYR 57 Cb 0.27 -0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.04 0.71 0.00 -0.72 5.75 -0.91 -0.80 115.11 119.17 2hji h GLN 58 Ca 0.00 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2hji h GLN 58 Cb 0.13 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.52 2hji h GLN 58 CO 0.00 0.47 -0.13 1.12 -2.65 0.00 0.00 178.83 177.64 2hji h HIS 59 N 0.73 0.00 0.00 3.99 2.07 -1.76 -1.88 115.15 118.30 2hji h HIS 59 Ca 0.21 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.62 2hji h HIS 59 Cb -0.05 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.91 2hji h HIS 59 CO -0.04 0.13 -0.55 0.00 -3.07 0.00 0.00 177.93 174.40 2hji h ALA 60 N 1.87 0.90 -0.08 6.11 0.00 -1.41 -3.02 119.26 123.63 2hji h ALA 60 Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2hji h ALA 60 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2hji h ALA 60 CO 0.02 0.68 -0.28 -0.84 0.00 0.00 0.00 179.25 178.83 2hji h ILE 61 N 0.00 1.24 -0.78 0.00 3.07 -0.88 -2.37 117.51 117.78 2hji h ILE 61 Ca -0.01 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.29 2hji h ILE 61 Cb 1.11 1.49 -0.04 0.00 -0.27 0.00 0.00 36.82 39.11 2hji h ILE 61 CO 0.07 0.33 0.50 -0.78 -1.05 0.00 0.00 178.15 177.22 2hji h ASP 62 N 0.13 0.91 1.02 2.16 3.58 -1.56 -2.43 116.42 120.24 2hji h ASP 62 Ca 0.02 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2hji h ASP 62 Cb 0.57 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2hji h ASP 62 CO 0.04 0.68 -0.77 0.50 -2.88 0.00 0.00 179.24 176.81 2hji h LYS 63 N 1.07 0.00 0.00 0.28 3.11 -1.65 -3.41 116.57 115.97 2hji h LYS 63 Ca 0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 2hji h LYS 63 Cb -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 2hji h LYS 63 CO -0.06 0.00 0.00 -0.11 -2.81 0.00 0.00 179.45 176.47 2hji n LEU 64 N -2.48 0.00 -3.69 5.20 0.00 -0.91 -4.74 117.00 110.39 2hji n LEU 64 Ca 0.02 0.75 -0.16 0.00 0.00 0.00 0.00 56.01 56.62 2hji n LEU 64 Cb 0.50 -0.25 -0.15 0.00 0.00 0.00 0.00 43.42 43.52 2hji n LEU 64 CO 0.38 -0.25 -0.22 -0.69 0.00 0.00 0.00 177.39 176.61 2hji s VAL 65 N -1.99 -0.22 -0.44 1.96 1.01 -1.25 -5.10 120.40 114.36 2hji s VAL 65 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 2hji s VAL 65 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.13 2hji s VAL 65 CO 0.00 0.13 0.36 0.00 0.00 0.00 0.00 175.10 175.59 2hji s ALA 66 N 2.04 3.51 0.08 5.51 0.00 -1.26 -4.95 121.76 126.69 2hji s ALA 66 Ca -0.00 -1.88 -0.27 0.00 0.00 0.00 0.00 51.96 49.81 2hji s ALA 66 Cb -0.12 -2.99 0.08 0.00 0.00 0.00 0.00 23.12 20.09 2hji s ALA 66 CO -0.06 -1.60 0.89 -1.83 0.00 0.00 0.00 175.76 173.16 2hji s GLU 67 N 1.71 1.04 0.00 0.00 -1.05 -1.26 -5.14 118.70 114.01 2hji s GLU 67 Ca 0.05 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 2hji s GLU 67 Cb -0.21 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 2hji s GLU 67 CO 0.09 -0.47 0.00 1.63 0.95 0.00 0.00 175.26 177.46 2hji n LYS 68 N -0.36 0.00 -0.08 -4.83 4.76 -1.26 -3.78 118.16 112.61 2hji n LYS 68 Ca -0.08 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.48 2hji n LYS 68 Cb 0.61 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.98 2hji n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hji n GLY 69 N 0.00 1.23 3.05 0.72 0.00 -1.26 -5.03 105.19 103.91 2hji n GLY 69 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 1.32 -0.67 0.00 1.61 4.02 -1.25 -4.81 117.16 117.39 2hji n TYR 70 Ca 0.17 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.41 2hji n TYR 70 Cb 0.58 -1.46 0.00 0.00 -0.02 0.00 0.00 39.34 38.44 2hji n TYR 70 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2hji n GLN 71 N 1.90 0.00 -3.78 -0.72 7.27 -0.85 -4.91 117.38 116.29 2hji n GLN 71 Ca -0.04 0.78 -0.02 0.00 0.07 0.00 0.00 57.00 57.79 2hji n GLN 71 Cb 0.24 -1.37 -0.00 0.00 2.41 0.00 0.00 30.24 31.52 2hji n GLN 71 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2hji s SER 72 N -2.82 -0.09 0.20 1.69 0.15 -1.26 -5.09 113.70 106.47 2hji s SER 72 Ca 0.00 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.29 2hji s SER 72 Cb 0.00 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2hji s SER 72 CO 0.00 -0.79 0.05 -1.66 1.20 0.00 0.00 173.24 172.03 2hji s TRP 73 N -2.74 2.91 0.18 3.44 -2.14 -1.26 -4.25 118.94 115.08 2hji s TRP 73 Ca 0.16 -0.12 -0.05 0.00 2.66 0.00 0.00 56.10 58.75 2hji s TRP 73 Cb -0.01 -1.38 -0.03 0.00 -3.10 0.00 0.00 33.47 28.96 2hji s TRP 73 CO 0.02 0.53 0.20 0.34 -2.66 0.00 0.00 176.95 175.38 2hji s ASP 74 N -3.20 0.13 0.08 -2.66 2.15 -1.10 -4.95 116.67 107.13 2hji s ASP 74 Ca 0.29 -1.13 0.06 0.00 0.43 0.00 0.00 52.55 52.20 2hji s ASP 74 Cb -0.09 0.40 -0.03 0.00 -0.30 0.00 0.00 42.92 42.90 2hji s ASP 74 CO 0.20 -0.87 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.48 2hji s VAL 75 N -4.06 1.39 -0.34 1.11 1.01 -1.26 -1.61 120.40 116.63 2hji s VAL 75 Ca 0.27 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2hji s VAL 75 Cb 0.05 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 35.25 2hji s VAL 75 CO 0.06 -0.12 0.08 -0.63 0.00 0.00 0.00 175.10 174.49 2hji s ILE 76 N -1.17 1.76 -0.06 2.22 1.01 -1.20 -4.94 121.20 118.82 2hji s ILE 76 Ca 0.02 -2.07 0.04 0.00 0.00 0.00 0.00 60.65 58.64 2hji s ILE 76 Cb -0.10 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 2hji s ILE 76 CO 0.03 -0.65 -0.17 -0.94 0.00 0.00 0.00 174.94 173.21 2hji s SER 77 N 1.07 3.81 -0.19 3.58 1.04 -1.25 -3.87 113.70 117.89 2hji s SER 77 Ca 0.11 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 2hji s SER 77 Cb -0.19 -0.89 -0.03 0.00 0.10 0.00 0.00 66.02 65.01 2hji s SER 77 CO -0.13 0.31 0.02 -0.76 0.98 0.00 0.00 173.24 173.66 2hji s LEU 78 N -0.52 3.46 -0.00 2.42 1.43 -1.26 -4.93 118.68 119.29 2hji s LEU 78 Ca 0.07 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2hji s LEU 78 Cb -0.12 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2hji s LEU 78 CO 0.01 0.11 0.13 -0.13 0.23 0.00 0.00 176.35 176.70 2hji s ARG 79 N 0.74 3.23 0.26 1.70 0.52 -1.26 -4.05 118.95 120.09 2hji s ARG 79 Ca 0.01 -0.42 0.25 0.00 -0.52 0.00 0.00 55.73 55.05 2hji s ARG 79 Cb -0.14 -2.96 0.62 0.00 0.52 0.00 0.00 34.95 32.98 2hji s ARG 79 CO 0.02 0.66 1.66 0.00 0.02 0.00 0.00 175.30 177.66 2hji h ALA 80 N 3.91 0.94 -0.37 2.13 0.00 -1.97 -3.15 119.26 120.75 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 0.66 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.66 2hji n ASP 81 N -2.47 3.66 -3.83 0.00 8.00 -1.26 -4.72 116.55 115.93 2hji n ASP 81 Ca 0.05 -2.47 -0.30 0.00 0.71 0.00 0.00 54.79 52.78 2hji n ASP 81 Cb 0.46 -0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 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 -0.56 3.85 0.00 -2.24 -0.87 -1.19 -4.98 114.94 108.95 2hji s ASN 82 Ca 0.33 -1.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.22 2hji s ASN 82 Cb 0.24 -1.00 0.00 0.00 -0.02 0.00 0.00 41.25 40.47 2hji s ASN 82 CO 0.12 -0.33 0.28 -2.65 -2.57 0.00 0.00 177.10 171.94 2hji n PRO 83 N 4.76 0.00 -0.06 -0.60 -0.02 -1.26 -0.92 135.00 136.90 2hji n PRO 83 Ca -0.06 0.03 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 2hji n PRO 83 Cb 0.44 -1.55 0.28 0.00 -0.02 0.00 0.00 33.50 32.64 2hji n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hji n GLN 84 N -0.78 1.38 0.08 -0.52 10.64 -1.26 -3.54 117.38 123.38 2hji n GLN 84 Ca 0.00 -0.58 -0.02 0.00 -1.83 0.00 0.00 57.00 54.57 2hji n GLN 84 Cb 0.05 -1.24 -0.06 0.00 -0.86 0.00 0.00 30.24 28.13 2hji n GLN 84 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 2hji h LYS 85 N 1.05 0.00 0.00 2.61 2.10 -1.29 -2.15 116.57 118.90 2hji h LYS 85 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hji h LYS 85 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2hji h LYS 85 CO 0.00 0.66 -0.00 0.93 -2.00 0.00 0.00 179.45 179.04 2hji h GLU 86 N 0.00 -0.00 0.00 0.07 5.08 -1.82 -3.30 114.58 114.61 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 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 2hji h GLU 86 CO 0.09 0.88 -0.23 0.00 -1.00 0.00 0.00 179.01 178.75 2hji h ALA 87 N -0.10 1.21 0.00 3.43 0.00 -1.73 -2.35 119.26 119.72 2hji h ALA 87 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2hji h ALA 87 Cb 0.88 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2hji h ALA 87 CO 0.00 0.29 -0.04 -0.07 0.00 0.00 0.00 179.25 179.43 2hji h LEU 88 N 0.00 0.00 0.84 0.00 3.38 -1.46 -2.50 115.31 115.58 2hji h LEU 88 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2hji h LEU 88 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2hji h LEU 88 CO 0.03 0.04 -0.40 0.08 0.09 0.00 0.00 178.44 178.27 2hji h ARG 89 N 0.00 -1.09 -0.08 1.13 -0.00 -1.51 0.80 114.38 113.63 2hji h ARG 89 Ca -0.00 0.07 0.02 0.00 -0.00 0.00 0.00 59.98 60.08 2hji h ARG 89 Cb 0.13 0.25 -0.00 0.00 -0.00 0.00 0.00 29.97 30.35 2hji h ARG 89 CO 0.00 -0.72 0.08 1.49 -0.00 0.00 0.00 179.97 180.83 2hji h GLU 90 N -1.23 0.00 -0.42 0.08 4.81 -1.69 0.65 114.58 116.78 2hji h GLU 90 Ca -0.12 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 2hji h GLU 90 Cb 0.88 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2hji h GLU 90 CO 0.19 0.00 -0.28 -0.22 -0.73 0.00 0.00 179.01 177.97 2hji h LYS 91 N 0.00 0.92 0.00 1.92 3.11 -0.95 -3.29 116.57 118.28 2hji h LYS 91 Ca 0.04 -0.42 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2hji h LYS 91 Cb 0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2hji h LYS 91 CO -0.00 1.07 -0.74 1.19 -2.81 0.00 0.00 179.45 178.16 2hji n PHE 92 N -4.09 0.00 1.11 1.91 3.72 0.21 -4.38 117.46 115.94 2hji n PHE 92 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 2hji n PHE 92 Cb 0.48 -0.01 0.19 0.00 -0.94 0.00 0.00 39.48 39.20 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 -1.38 1.56 -4.99 4.37 4.77 0.22 -3.73 117.00 117.83 2hji n LEU 93 Ca 0.03 -0.76 -0.19 0.00 -0.03 0.00 0.00 56.01 55.06 2hji n LEU 93 Cb 0.24 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2hji n LEU 93 CO 0.30 0.38 0.12 0.20 -1.33 0.00 0.00 177.39 177.06 2hji s ASN 94 N -1.12 5.86 -0.06 -1.43 -0.87 -1.24 -4.95 114.94 111.14 2hji s ASN 94 Ca 0.22 -0.17 -0.30 0.00 -1.57 0.00 0.00 52.86 51.04 2hji s ASN 94 Cb 0.12 -1.14 -0.03 0.00 -0.02 0.00 0.00 41.25 40.18 2hji s ASN 94 CO 0.16 -0.56 1.11 -1.61 -2.57 0.00 0.00 177.10 173.63 2hji s GLU 95 N -4.28 4.40 -0.05 -0.60 2.02 -1.26 -4.82 118.70 114.12 2hji s GLU 95 Ca 0.48 1.56 -0.01 0.00 0.02 0.00 0.00 54.97 57.02 2hji s GLU 95 Cb -0.10 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.64 2hji s GLU 95 CO 0.33 -0.34 0.01 -1.58 0.02 0.00 0.00 175.26 173.69 2hji s HIS 96 N 1.91 0.43 0.08 1.61 5.65 -1.26 -5.07 115.29 118.64 2hji s HIS 96 Ca 0.53 -0.02 0.03 0.00 0.25 0.00 0.00 55.06 55.85 2hji s HIS 96 Cb -0.23 -0.60 -0.03 0.00 -1.18 0.00 0.00 32.58 30.54 2hji s HIS 96 CO 0.22 -0.23 -0.09 0.99 -0.65 0.00 0.00 174.74 174.98 2hji s THR 97 N 1.64 0.82 0.15 0.89 2.01 -1.26 -4.12 115.64 115.77 2hji s THR 97 Ca -0.01 -1.51 0.07 0.00 0.31 0.00 0.00 61.69 60.55 2hji s THR 97 Cb -0.13 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 2hji s THR 97 CO -0.03 -0.53 -0.15 -1.38 -0.69 0.00 0.00 174.62 171.84 2hji s HIS 98 N -2.25 1.54 -0.13 4.92 -3.43 -1.26 -5.02 115.29 109.66 2hji s HIS 98 Ca 0.02 -0.57 0.01 0.00 -0.80 0.00 0.00 55.06 53.72 2hji s HIS 98 Cb -0.04 -0.77 0.18 0.00 -1.43 0.00 0.00 32.58 30.52 2hji s HIS 98 CO -0.00 0.23 1.24 0.41 -2.00 0.00 0.00 174.74 174.61 2hji n GLY 99 N 0.18 2.66 3.07 -1.38 0.00 -1.26 -2.72 105.19 105.74 2hji n GLY 99 Ca -0.13 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.90 0.22 -0.17 1.61 0.41 -1.26 -4.84 118.70 113.77 2hji s GLU 100 Ca 0.15 0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.80 2hji s GLU 100 Cb 0.13 0.01 -0.02 0.00 -1.78 0.00 0.00 34.13 32.47 2hji s GLU 100 CO 0.03 -0.09 1.41 0.16 -0.49 0.00 0.00 175.26 176.29 2hji s ASP 101 N 0.59 6.75 0.28 -0.19 -4.77 -1.26 -4.38 116.67 113.69 2hji s ASP 101 Ca -0.04 1.74 0.07 0.00 -3.30 0.00 0.00 52.55 51.02 2hji s ASP 101 Cb -0.05 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.21 2hji s ASP 101 CO -0.03 -0.92 0.25 -1.83 0.70 0.00 0.00 175.17 173.34 2hji s GLU 102 N 3.90 2.94 0.07 2.11 -1.05 -1.24 -4.88 118.70 120.56 2hji s GLU 102 Ca 0.62 -1.08 0.09 0.00 -0.15 0.00 0.00 54.97 54.45 2hji s GLU 102 Cb -0.24 -2.59 -0.03 0.00 -0.44 0.00 0.00 34.13 30.83 2hji s GLU 102 CO 0.21 0.31 -0.25 0.08 0.95 0.00 0.00 175.26 176.56 2hji s VAL 103 N -2.16 2.27 -0.05 1.83 1.01 -0.83 -3.24 120.40 119.22 2hji s VAL 103 Ca 0.36 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2hji s VAL 103 Cb -0.08 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2hji s VAL 103 CO 0.26 0.29 -0.12 -0.13 0.00 0.00 0.00 175.10 175.40 2hji s ARG 104 N -1.49 1.54 -0.11 2.72 0.52 -0.63 -1.54 118.95 119.96 2hji s ARG 104 Ca 0.13 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2hji s ARG 104 Cb -0.10 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.07 2hji s ARG 104 CO 0.04 0.07 -0.17 0.12 0.02 0.00 0.00 175.30 175.38 2hji s PHE 105 N 0.49 2.11 -0.24 -0.53 5.36 -0.84 -2.55 117.98 121.79 2hji s PHE 105 Ca -0.11 -0.99 -0.15 0.00 -0.96 0.00 0.00 56.93 54.72 2hji s PHE 105 Cb -0.14 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 41.01 2hji s PHE 105 CO 0.03 -0.49 0.38 -0.06 -1.46 0.00 0.00 175.22 173.62 2hji s PHE 106 N 0.89 3.31 -0.09 10.12 0.08 -1.26 -1.15 117.98 129.88 2hji s PHE 106 Ca -0.08 0.50 0.17 0.00 0.12 0.00 0.00 56.93 57.64 2hji s PHE 106 Cb -0.15 -2.54 -0.25 0.00 -0.57 0.00 0.00 43.02 39.51 2hji s PHE 106 CO -0.01 -0.12 0.24 1.33 -0.10 0.00 0.00 175.22 176.56 2hji n VAL 107 N 4.73 0.56 -3.61 -0.44 0.24 -1.22 -3.92 118.33 114.66 2hji n VAL 107 Ca -0.08 -0.56 -0.18 0.00 -2.04 0.00 0.00 64.34 61.47 2hji n VAL 107 Cb 0.51 -0.22 -0.15 0.00 -1.47 0.00 0.00 33.84 32.51 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 -2.86 0.08 0.00 7.34 8.01 -1.26 -4.82 118.70 125.20 2hji s GLU 108 Ca -0.07 0.40 0.00 0.00 0.01 0.00 0.00 54.97 55.31 2hji s GLU 108 Cb 0.08 -0.69 0.00 0.00 -4.31 0.00 0.00 34.13 29.21 2hji s GLU 108 CO 0.73 -0.44 0.00 0.41 0.01 0.00 0.00 175.26 175.97 2hji n GLY 109 N 5.32 1.71 3.17 -1.39 0.00 -1.26 0.77 105.19 113.51 2hji n GLY 109 Ca -0.05 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.33 1.24 0.03 4.61 0.00 -1.26 -2.75 121.76 121.30 2hji s ALA 110 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2hji s ALA 110 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2hji s ALA 110 CO 0.00 0.22 -0.06 0.20 0.00 0.00 0.00 175.76 176.12 2hji s GLY 111 N -1.37 0.39 -0.33 0.00 0.00 -0.73 -4.89 107.32 100.39 2hji s GLY 111 Ca 0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 44.72 43.83 2hji s GLY 111 CO 0.02 -0.74 0.73 -2.27 0.00 0.00 0.00 173.10 170.83 2hji s LEU 112 N -1.50 4.14 -0.27 0.66 2.96 -1.26 -1.78 118.68 121.62 2hji s LEU 112 Ca -0.12 0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.14 2hji s LEU 112 Cb -0.10 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2hji s LEU 112 CO -0.00 -0.61 0.15 0.12 -1.32 0.00 0.00 176.35 174.68 2hji s PHE 113 N 2.88 3.18 -0.10 5.38 5.36 -0.93 -2.55 117.98 131.20 2hji s PHE 113 Ca 0.29 -0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 2hji s PHE 113 Cb -0.14 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 2hji s PHE 113 CO 0.14 -0.21 -0.02 0.00 -1.46 0.00 0.00 175.22 173.67 2hji s LEU 115 N -0.63 2.77 -0.24 0.00 2.01 -1.02 -3.90 118.68 117.68 2hji s LEU 115 Ca 0.10 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.67 2hji s LEU 115 Cb -0.12 -1.57 0.07 0.00 0.01 0.00 0.00 46.19 44.58 2hji s LEU 115 CO 0.02 0.16 -0.02 -2.28 1.01 0.00 0.00 176.35 175.24 2hji s HIS 116 N -1.33 2.20 -0.22 0.29 2.46 -1.25 -1.78 115.29 115.65 2hji s HIS 116 Ca 0.20 -1.69 -0.01 0.00 0.47 0.00 0.00 55.06 54.03 2hji s HIS 116 Cb -0.10 -1.58 0.07 0.00 -0.13 0.00 0.00 32.58 30.83 2hji s HIS 116 CO 0.12 -0.77 0.01 0.42 -2.47 0.00 0.00 174.74 172.05 2hji s ILE 117 N 1.46 0.90 0.00 0.89 1.01 -1.23 -4.56 121.20 119.67 2hji s ILE 117 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2hji s ILE 117 Cb -0.18 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2hji s ILE 117 CO -0.08 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2hji n GLY 118 N 4.90 1.32 2.45 6.18 0.00 -1.26 -3.37 105.19 115.41 2hji n GLY 118 Ca -0.09 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 2.97 7.68 -4.04 1.61 5.75 -1.26 -4.92 116.55 124.33 2hji n ASP 119 Ca 0.00 -3.80 -0.16 0.00 -0.01 0.00 0.00 54.79 50.82 2hji n ASP 119 Cb 0.00 -1.00 -0.13 0.00 -1.03 0.00 0.00 41.12 38.96 2hji n ASP 119 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2hji s GLU 120 N -3.88 0.59 -0.27 0.11 8.01 -1.22 0.03 118.70 122.08 2hji s GLU 120 Ca 0.62 -0.55 -0.05 0.00 0.01 0.00 0.00 54.97 55.00 2hji s GLU 120 Cb 0.50 -0.49 0.01 0.00 -4.31 0.00 0.00 34.13 29.84 2hji s GLU 120 CO -0.09 0.12 0.02 0.08 0.01 0.00 0.00 175.26 175.40 2hji s VAL 121 N -0.80 3.52 -0.02 2.63 1.01 -1.22 -3.52 120.40 122.01 2hji s VAL 121 Ca -0.03 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 2hji s VAL 121 Cb -0.07 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2hji s VAL 121 CO 0.00 0.14 0.52 -0.36 0.00 0.00 0.00 175.10 175.40 2hji s PHE 122 N 1.43 3.68 -0.28 5.22 0.40 -0.74 -3.78 117.98 123.91 2hji s PHE 122 Ca 0.02 1.09 0.02 0.00 -0.60 0.00 0.00 56.93 57.46 2hji s PHE 122 Cb -0.17 -2.50 0.08 0.00 0.51 0.00 0.00 43.02 40.94 2hji s PHE 122 CO -0.00 0.42 -0.03 -1.14 0.70 0.00 0.00 175.22 175.17 2hji s GLN 123 N -0.38 1.69 -0.05 0.44 0.74 -0.44 -2.44 119.66 119.22 2hji s GLN 123 Ca 0.28 -1.38 0.04 0.00 0.05 0.00 0.00 55.36 54.35 2hji s GLN 123 Cb -0.17 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.12 2hji s GLN 123 CO 0.15 -0.73 -0.16 0.54 -0.55 0.00 0.00 175.29 174.54 2hji s VAL 124 N 1.18 1.35 0.25 1.34 0.11 -1.12 -1.77 120.40 121.72 2hji s VAL 124 Ca -0.00 -0.66 -0.22 0.00 -2.93 0.00 0.00 61.98 58.17 2hji s VAL 124 Cb -0.19 -1.17 -0.09 0.00 -1.53 0.00 0.00 36.38 33.40 2hji s VAL 124 CO -0.08 0.39 0.80 -0.76 -3.33 0.00 0.00 175.10 172.12 2hji s LEU 125 N 0.16 4.36 -0.07 2.54 1.43 -1.19 -2.20 118.68 123.72 2hji s LEU 125 Ca -0.06 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 2hji s LEU 125 Cb -0.12 -3.70 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 2hji s LEU 125 CO 0.03 0.02 -0.22 0.00 0.23 0.00 0.00 176.35 176.40 2hji s GLU 127 N 0.12 0.81 0.00 0.00 2.02 -1.26 -1.77 118.70 118.62 2hji s GLU 127 Ca -0.10 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2hji s GLU 127 Cb -0.15 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.69 2hji s GLU 127 CO 0.05 0.04 0.00 0.36 0.02 0.00 0.00 175.26 175.73 2hji n LYS 128 N 0.40 0.00 0.00 1.61 -0.00 -1.11 -2.94 118.16 116.12 2hji n LYS 128 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.12 2hji n LYS 128 Cb 0.59 -1.00 -0.03 0.00 -0.00 0.00 0.00 35.03 34.59 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 0.19 -0.10 0.00 -5.58 2.35 -1.88 -3.41 115.58 107.14 2hji h ASN 129 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2hji h ASN 129 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2hji h ASN 129 CO 0.00 0.45 0.00 0.47 -1.65 0.00 0.00 177.43 176.70 2hji n ASP 130 N -4.84 0.00 -3.87 5.81 8.00 -1.15 -3.43 116.55 117.07 2hji n ASP 130 Ca -0.03 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 2hji n ASP 130 Cb 0.13 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 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 1.49 0.01 0.64 0.20 -0.57 -4.30 118.68 116.15 2hji s LEU 131 Ca 0.00 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.45 2hji s LEU 131 Cb 0.00 0.84 -0.01 0.00 -0.43 0.00 0.00 46.19 46.59 2hji s LEU 131 CO 0.00 -0.52 -0.04 -0.51 -0.29 0.00 0.00 176.35 174.99 2hji s ILE 132 N -2.40 0.27 -0.11 6.68 2.07 -1.06 -3.71 121.20 122.94 2hji s ILE 132 Ca -0.06 -0.48 -0.04 0.00 -1.41 0.00 0.00 60.65 58.65 2hji s ILE 132 Cb -0.02 -0.30 0.05 0.00 0.13 0.00 0.00 42.46 42.33 2hji s ILE 132 CO -0.03 -0.14 0.23 -0.44 -1.91 0.00 0.00 174.94 172.65 2hji s SER 133 N -0.65 0.22 0.35 4.50 0.01 -1.20 -1.60 113.70 115.33 2hji s SER 133 Ca -0.04 0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.80 2hji s SER 133 Cb -0.05 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 2hji s SER 133 CO -0.00 -0.21 0.31 0.68 0.41 0.00 0.00 173.24 174.43 2hji s VAL 134 N 1.99 3.40 0.68 3.43 -7.23 -1.20 -3.13 120.40 118.34 2hji s VAL 134 Ca -0.02 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2hji s VAL 134 Cb -0.12 -3.16 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 2hji s VAL 134 CO -0.08 -0.14 1.08 -2.84 -0.31 0.00 0.00 175.10 172.80 2hji s PRO 135 N -4.02 3.06 0.97 4.82 0.02 -1.26 -3.59 135.00 135.00 2hji s PRO 135 Ca 0.42 0.57 -0.12 0.00 0.02 0.00 0.00 61.00 61.89 2hji s PRO 135 Cb -0.05 -2.04 0.17 0.00 0.02 0.00 0.00 34.50 32.60 2hji s PRO 135 CO 0.27 -0.91 1.09 0.00 -0.33 0.00 0.00 177.00 177.11 2hji s ALA 136 N -3.29 1.06 0.00 -1.55 0.00 -1.26 -2.94 121.76 113.77 2hji s ALA 136 Ca 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2hji s ALA 136 Cb -0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2hji s ALA 136 CO 0.53 -2.74 0.00 0.72 0.00 0.00 0.00 175.76 174.26 2hji n HIS 137 N -4.13 0.00 -3.59 0.00 8.25 -1.10 -4.92 115.22 109.73 2hji n HIS 137 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 2hji n HIS 137 Cb 0.56 -0.77 -0.11 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.11 5.14 0.36 1.59 2.01 -1.15 -5.05 115.64 116.42 2hji s THR 138 Ca 0.00 -0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.67 2hji s THR 138 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 2hji s THR 138 CO 0.00 0.14 1.11 -2.16 -0.69 0.00 0.00 174.62 173.02 2hji s PRO 139 N 1.72 4.30 0.01 4.92 0.04 -1.26 -4.83 135.00 139.90 2hji s PRO 139 Ca 0.06 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2hji s PRO 139 Cb -0.17 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 2hji s PRO 139 CO 0.10 -0.07 -0.05 -3.38 0.04 0.00 0.00 177.00 173.64 2hji s HIS 140 N -1.39 0.41 0.04 0.56 -3.43 -1.26 -3.89 115.29 106.34 2hji s HIS 140 Ca 0.53 -0.25 0.02 0.00 -0.80 0.00 0.00 55.06 54.56 2hji s HIS 140 Cb -0.29 -0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 30.58 2hji s HIS 140 CO 0.36 -0.05 -0.08 1.67 -2.00 0.00 0.00 174.74 174.65 2hji s TRP 141 N -0.64 0.65 0.17 0.38 -2.14 -1.25 -4.26 118.94 111.85 2hji s TRP 141 Ca -0.04 -0.50 -0.07 0.00 2.66 0.00 0.00 56.10 58.15 2hji s TRP 141 Cb -0.05 -0.39 -0.06 0.00 -3.10 0.00 0.00 33.47 29.86 2hji s TRP 141 CO -0.00 -0.09 0.44 -0.06 -2.66 0.00 0.00 176.95 174.58 2hji s PHE 142 N -1.38 3.47 -0.42 1.66 0.08 -1.24 -3.66 117.98 116.49 2hji s PHE 142 Ca -0.10 0.70 -0.18 0.00 0.12 0.00 0.00 56.93 57.47 2hji s PHE 142 Cb -0.10 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2hji s PHE 142 CO 0.00 0.39 0.47 0.34 -0.10 0.00 0.00 175.22 176.32 2hji s ASP 143 N -2.32 6.22 0.00 1.36 2.15 -1.06 -4.69 116.67 118.34 2hji s ASP 143 Ca 0.42 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2hji s ASP 143 Cb -0.12 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2hji s ASP 143 CO 0.23 -0.60 0.00 0.23 -0.17 0.00 0.00 175.17 174.86 2hji n MET 144 N 5.72 0.00 0.00 4.34 2.81 -1.26 -4.47 117.12 124.26 2hji n MET 144 Ca -0.06 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2hji n MET 144 Cb 0.48 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.61 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 2.19 0.82 3.21 3.03 0.00 -1.26 -4.73 105.19 108.45 2hji n GLY 145 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2hji n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hji n SER 146 N 0.31 -0.97 -2.87 1.61 7.64 -1.26 -5.08 113.62 113.00 2hji n SER 146 Ca 0.00 -3.02 -0.34 0.00 1.01 0.00 0.00 58.87 56.52 2hji n SER 146 Cb 0.00 2.01 0.01 0.00 -1.01 0.00 0.00 64.21 65.23 2hji n SER 146 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2hji n GLU 147 N -0.60 3.42 -2.40 1.43 0.28 -1.26 -5.04 120.64 116.47 2hji n GLU 147 Ca 0.05 -4.18 -0.33 0.00 -0.16 0.00 0.00 57.16 52.54 2hji n GLU 147 Cb 0.58 -2.29 -0.03 0.00 1.43 0.00 0.00 31.44 31.14 2hji n GLU 147 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2hji s PRO 148 N -3.86 3.83 0.10 3.44 0.04 -1.26 -4.77 135.00 132.52 2hji s PRO 148 Ca 0.48 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 2hji s PRO 148 Cb 0.37 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 2hji s PRO 148 CO -0.27 -0.38 0.62 0.54 0.04 0.00 0.00 177.00 177.55 2hji s ASN 149 N -2.75 7.13 -0.17 6.66 2.20 -1.26 -4.61 114.94 122.14 2hji s ASN 149 Ca 0.61 1.34 -0.10 0.00 -0.94 0.00 0.00 52.86 53.78 2hji s ASN 149 Cb -0.12 -2.39 0.06 0.00 -2.00 0.00 0.00 41.25 36.80 2hji s ASN 149 CO 0.29 0.25 0.42 0.72 -2.94 0.00 0.00 177.10 175.83 2hji s PHE 150 N -1.15 -0.59 -0.19 1.54 -0.71 -1.26 -4.63 117.98 110.99 2hji s PHE 150 Ca 0.31 1.29 -0.10 0.00 -1.04 0.00 0.00 56.93 57.39 2hji s PHE 150 Cb -0.20 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 2hji s PHE 150 CO 0.21 -0.33 0.15 0.99 -1.34 0.00 0.00 175.22 174.89 2hji s THR 151 N 1.22 5.40 0.09 -4.49 2.01 0.23 -3.81 115.64 116.29 2hji s THR 151 Ca -0.08 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2hji s THR 151 Cb -0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2hji s THR 151 CO -0.11 0.45 -0.08 0.00 -0.69 0.00 0.00 174.62 174.19 2hji s ALA 152 N 0.29 0.95 -0.13 7.40 0.00 -1.25 -3.45 121.76 125.57 2hji s ALA 152 Ca 0.09 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2hji s ALA 152 Cb -0.11 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2hji s ALA 152 CO -0.01 -0.12 -0.19 0.42 0.00 0.00 0.00 175.76 175.85 2hji s ILE 153 N -2.75 1.85 -0.14 0.00 1.01 -0.30 -3.26 121.20 117.61 2hji s ILE 153 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 2hji s ILE 153 Cb -0.01 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2hji s ILE 153 CO -0.02 0.51 -0.05 -0.60 0.00 0.00 0.00 174.94 174.78 2hji s ARG 154 N 0.88 3.53 -0.07 2.79 3.52 -0.64 -1.99 118.95 126.98 2hji s ARG 154 Ca -0.07 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2hji s ARG 154 Cb -0.15 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2hji s ARG 154 CO -0.02 0.29 -0.07 0.42 -0.81 0.00 0.00 175.30 175.11 2hji s ILE 155 N 0.21 0.82 0.00 4.11 1.01 -0.59 -2.71 121.20 124.05 2hji s ILE 155 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2hji s ILE 155 Cb -0.14 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2hji s ILE 155 CO 0.03 0.30 0.00 2.22 0.00 0.00 0.00 174.94 177.50