#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n GLU 2 N 0.00 0.00 -3.97 0.03 -0.58 -1.26 -4.76 120.64 110.10 2hgj n GLU 2 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2hgj n GLU 2 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2hgj n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgj s ALA 3 N -1.97 3.34 -0.41 0.62 0.00 -0.18 -4.80 121.76 118.36 2hgj s ALA 3 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2hgj s ALA 3 Cb 0.00 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.22 2hgj s ALA 3 CO 0.00 0.02 0.27 -1.59 0.00 0.00 0.00 175.76 174.46 2hgj s LYS 4 N 0.67 2.80 -0.82 0.00 0.00 -1.26 -0.59 119.74 120.55 2hgj s LYS 4 Ca 0.03 -1.24 -0.06 0.00 0.00 0.00 0.00 55.97 54.69 2hgj s LYS 4 Cb -0.13 -3.85 0.21 0.00 0.00 0.00 0.00 37.83 34.06 2hgj s LYS 4 CO 0.02 -0.85 0.71 0.00 0.00 0.00 0.00 175.35 175.23 2hgj s ALA 5 N 1.54 4.05 0.02 0.59 0.00 -0.20 -4.58 121.76 123.18 2hgj s ALA 5 Ca 0.03 -3.51 -0.01 0.00 0.00 0.00 0.00 51.96 48.46 2hgj s ALA 5 Cb -0.21 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2hgj s ALA 5 CO 0.06 -2.18 0.00 0.42 0.00 0.00 0.00 175.76 174.06 2hgj s ILE 6 N -0.50 0.12 -0.13 0.00 1.01 -1.24 -0.75 121.20 119.71 2hgj s ILE 6 Ca 0.22 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 2hgj s ILE 6 Cb -0.13 -0.44 0.08 0.00 0.01 0.00 0.00 42.46 41.98 2hgj s ILE 6 CO -0.08 -0.54 0.77 0.00 0.00 0.00 0.00 174.94 175.09 2hgj s ALA 7 N -1.76 -1.82 0.72 9.38 0.00 -0.64 -4.91 121.76 122.74 2hgj s ALA 7 Ca -0.13 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2hgj s ALA 7 Cb -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2hgj s ALA 7 CO -0.02 -0.34 0.00 0.54 0.00 0.00 0.00 175.76 175.94 2hgj n ARG 8 N 1.29 3.25 0.00 0.00 5.12 -1.26 -1.21 116.66 123.85 2hgj n ARG 8 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2hgj n ARG 8 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 2hgj n ARG 8 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2hgj n TYR 9 N 0.00 0.00 -4.00 -1.55 4.02 -1.26 -4.33 117.16 110.04 2hgj n TYR 9 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 2hgj n TYR 9 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 2hgj n TYR 9 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2hgj s VAL 10 N 0.00 2.61 0.00 -0.72 -7.23 -0.41 -4.93 120.40 109.73 2hgj s VAL 10 Ca 0.00 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2hgj s VAL 10 Cb 0.00 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2hgj s VAL 10 CO 0.00 0.11 0.32 -2.11 -0.31 0.00 0.00 175.10 173.11 2hgj n ARG 11 N 4.59 0.00 0.00 4.82 0.00 -1.26 -0.08 116.66 124.73 2hgj n ARG 11 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2hgj n ARG 11 Cb 0.45 -1.33 0.00 0.00 -0.00 0.00 0.00 32.46 31.58 2hgj n ARG 11 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2hgj n ILE 12 N 2.53 0.00 -3.57 8.89 -0.00 -1.19 -4.79 119.36 121.23 2hgj n ILE 12 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.62 2hgj n ILE 12 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 2hgj n ILE 12 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2hgj s SER 13 N -1.00 -0.52 0.00 7.28 0.15 -1.26 -4.40 113.70 113.95 2hgj s SER 13 Ca 0.00 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2hgj s SER 13 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2hgj s SER 13 CO 0.00 -0.42 0.00 -0.81 1.20 0.00 0.00 173.24 173.21 2hgj n PRO 14 N 1.10 0.00 0.00 5.44 -0.04 -1.26 -1.36 135.00 138.88 2hgj n PRO 14 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2hgj n PRO 14 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2hgj n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hgj n ARG 15 N 0.00 0.00 -0.20 0.54 1.74 -1.26 -0.42 116.66 117.06 2hgj n ARG 15 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2hgj n ARG 15 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2hgj n ARG 15 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgj n LYS 16 N -0.74 -0.21 -0.29 5.56 4.01 -1.26 0.49 118.16 125.73 2hgj n LYS 16 Ca 0.00 1.10 0.09 0.00 -0.51 0.00 0.00 58.31 58.99 2hgj n LYS 16 Cb 0.00 -1.62 0.32 0.00 -0.51 0.00 0.00 35.03 33.22 2hgj n LYS 16 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 2hgj h VAL 17 N 0.00 0.89 0.40 -0.18 -1.51 0.54 0.80 116.25 117.19 2hgj h VAL 17 Ca 0.07 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.25 2hgj h VAL 17 Cb 0.19 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.34 2hgj h VAL 17 CO -0.44 0.15 -0.34 -0.09 -1.23 0.00 0.00 177.57 175.62 2hgj h ARG 18 N 0.82 -0.70 -0.85 5.19 9.65 0.20 -1.28 114.38 127.41 2hgj h ARG 18 Ca 0.45 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.57 2hgj h ARG 18 Cb 0.57 0.16 -0.16 0.00 -1.39 0.00 0.00 29.97 29.15 2hgj h ARG 18 CO -0.21 -0.47 -0.13 1.28 2.80 0.00 0.00 179.97 183.24 2hgj n LEU 19 N -4.48 -0.24 0.25 3.80 4.77 0.17 0.14 117.00 121.41 2hgj n LEU 19 Ca -0.09 1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 57.22 2hgj n LEU 19 Cb 0.32 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 2hgj n LEU 19 CO 0.20 -1.42 0.52 1.62 -1.33 0.00 0.00 177.39 176.98 2hgj h VAL 20 N 0.00 0.00 -0.88 4.08 3.04 -0.67 -1.01 116.25 120.81 2hgj h VAL 20 Ca 0.44 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 66.34 2hgj h VAL 20 Cb 0.77 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.99 2hgj h VAL 20 CO -0.85 0.00 0.59 1.62 -1.01 0.00 0.00 177.57 177.92 2hgj h VAL 21 N -0.75 0.68 -0.05 1.51 3.04 0.85 0.29 116.25 121.82 2hgj h VAL 21 Ca -0.06 -0.12 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 2hgj h VAL 21 Cb 0.62 0.28 -0.06 0.00 -2.01 0.00 0.00 31.29 30.13 2hgj h VAL 21 CO 0.02 0.07 -0.37 0.44 -1.01 0.00 0.00 177.57 176.71 2hgj h ASP 22 N 0.36 -1.13 -0.44 3.17 3.45 -0.15 -0.57 116.42 121.10 2hgj h ASP 22 Ca 0.45 0.15 -0.02 0.00 0.43 0.00 0.00 57.03 58.04 2hgj h ASP 22 Cb 1.19 0.46 -0.02 0.00 -0.56 0.00 0.00 39.33 40.40 2hgj h ASP 22 CO -0.15 -0.41 0.21 -0.07 -1.57 0.00 0.00 179.24 177.24 2hgj h LEU 23 N -0.50 0.58 -0.36 1.55 3.38 0.83 -3.33 115.31 117.47 2hgj h LEU 23 Ca 0.07 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2hgj h LEU 23 Cb 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2hgj h LEU 23 CO -0.32 0.55 -0.83 0.16 0.09 0.00 0.00 178.44 178.09 2hgj h ILE 24 N 0.57 1.53 -3.70 1.22 3.07 -0.87 -3.48 117.51 115.85 2hgj h ILE 24 Ca 0.15 -2.65 -0.48 0.00 1.55 0.00 0.00 64.86 63.43 2hgj h ILE 24 Cb 0.13 2.45 0.21 0.00 -0.27 0.00 0.00 36.82 39.34 2hgj h ILE 24 CO -0.02 0.76 0.05 0.54 -1.05 0.00 0.00 178.15 178.43 2hgj n ARG 25 N -3.63 -1.42 -3.34 0.16 1.74 -0.25 -4.04 116.66 105.87 2hgj n ARG 25 Ca -0.02 -0.37 -0.16 0.00 -0.77 0.00 0.00 57.85 56.53 2hgj n ARG 25 Cb 0.78 -2.24 0.08 0.00 -1.02 0.00 0.00 32.46 30.06 2hgj n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgj n GLY 26 N 0.71 -0.48 0.00 -0.13 0.00 -1.18 -4.97 105.19 99.14 2hgj n GLY 26 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2hgj n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 27 N -3.84 0.00 -4.35 1.61 4.01 -1.25 -4.95 118.16 109.39 2hgj n LYS 27 Ca -0.24 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.38 2hgj n LYS 27 Cb 0.65 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.08 2hgj n LYS 27 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2hgj s SER 28 N 2.00 1.57 0.36 4.39 0.15 -1.26 0.22 113.70 121.13 2hgj s SER 28 Ca 0.00 -1.48 0.17 0.00 0.70 0.00 0.00 55.95 55.34 2hgj s SER 28 Cb 0.00 0.26 1.22 0.00 -1.71 0.00 0.00 66.02 65.79 2hgj s SER 28 CO 0.00 -0.80 1.58 0.25 1.20 0.00 0.00 173.24 175.47 2hgj h LEU 29 N 2.24 0.17 0.00 3.45 5.85 -1.92 -0.82 115.31 124.28 2hgj h LEU 29 Ca -0.36 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2hgj h LEU 29 Cb 1.25 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2hgj h LEU 29 CO 0.58 -0.41 0.00 -0.62 -0.34 0.00 0.00 178.44 177.64 2hgj n GLU 30 N -5.30 0.00 -0.27 1.25 -0.58 -1.26 -0.55 120.64 113.93 2hgj n GLU 30 Ca 0.35 0.00 0.19 0.00 -0.42 0.00 0.00 57.16 57.28 2hgj n GLU 30 Cb 1.17 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 32.40 2hgj n GLU 30 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2hgj n GLU 31 N 0.00 -0.06 -0.09 3.49 4.71 -1.17 0.61 120.64 128.12 2hgj n GLU 31 Ca 0.00 1.18 -0.09 0.00 -0.01 0.00 0.00 57.16 58.24 2hgj n GLU 31 Cb 0.00 -1.99 -0.02 0.00 -1.01 0.00 0.00 31.44 28.43 2hgj n GLU 31 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgj h ALA 32 N 1.63 0.40 0.70 0.62 0.00 -1.24 -0.77 119.26 120.59 2hgj h ALA 32 Ca 0.59 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2hgj h ALA 32 Cb 1.42 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2hgj h ALA 32 CO -0.70 -0.10 -0.33 0.00 0.00 0.00 0.00 179.25 178.11 2hgj h ARG 33 N 0.40 -0.90 -0.40 0.00 2.47 0.27 0.81 114.38 117.03 2hgj h ARG 33 Ca 0.11 0.06 0.07 0.00 -1.26 0.00 0.00 59.98 58.97 2hgj h ARG 33 Cb 0.01 0.20 -0.07 0.00 -1.65 0.00 0.00 29.97 28.47 2hgj h ARG 33 CO -0.02 -0.59 -0.01 -0.91 0.56 0.00 0.00 179.97 179.00 2hgj h ASN 34 N -0.98 -0.19 -0.23 7.04 -0.26 -0.94 -0.28 115.58 119.74 2hgj h ASN 34 Ca -0.10 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2hgj h ASN 34 Cb 0.73 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.16 2hgj h ASN 34 CO 0.16 -0.06 0.12 -0.29 -1.06 0.00 0.00 177.43 176.29 2hgj h ILE 35 N 0.09 1.13 -0.84 2.81 2.10 -1.11 -0.41 117.51 121.29 2hgj h ILE 35 Ca 0.20 -0.38 0.15 0.00 1.08 0.00 0.00 64.86 65.90 2hgj h ILE 35 Cb 0.28 0.96 -0.15 0.00 -1.09 0.00 0.00 36.82 36.83 2hgj h ILE 35 CO -0.34 0.13 -0.28 -0.11 -1.08 0.00 0.00 178.15 176.47 2hgj n LEU 36 N -4.84 -0.45 0.05 2.19 -0.00 0.27 -0.84 117.00 113.38 2hgj n LEU 36 Ca -0.03 1.46 -0.13 0.00 -0.00 0.00 0.00 56.01 57.31 2hgj n LEU 36 Cb 0.09 -0.38 -0.14 0.00 -0.00 0.00 0.00 43.42 43.00 2hgj n LEU 36 CO 0.35 -1.35 -0.22 0.08 -0.00 0.00 0.00 177.39 176.25 2hgj h ARG 37 N 0.00 0.14 -0.35 1.96 0.11 -0.83 -3.37 114.38 112.04 2hgj h ARG 37 Ca 0.34 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2hgj h ARG 37 Cb 0.55 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2hgj h ARG 37 CO -0.85 0.99 0.00 0.66 0.10 0.00 0.00 179.97 180.87 2hgj n TYR 38 N -3.36 0.45 -4.78 4.08 4.02 -0.07 -4.72 117.16 112.79 2hgj n TYR 38 Ca -0.11 -0.22 -0.33 0.00 -0.01 0.00 0.00 57.90 57.23 2hgj n TYR 38 Cb 1.02 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 40.17 2hgj n TYR 38 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2hgj s THR 39 N -1.58 2.62 0.64 -0.72 2.01 -0.02 -4.99 115.64 113.60 2hgj s THR 39 Ca 0.22 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 2hgj s THR 39 Cb 0.12 -2.08 0.15 0.00 0.01 0.00 0.00 72.50 70.70 2hgj s THR 39 CO 0.14 0.53 0.79 -0.46 -0.69 0.00 0.00 174.62 174.93 2hgj n ASN 40 N 3.76 -0.37 0.00 3.53 6.94 -1.26 -4.87 115.26 122.98 2hgj n ASN 40 Ca -0.19 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 2hgj n ASN 40 Cb 0.52 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 2hgj n ASN 40 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2hgj n LYS 41 N -2.95 0.00 -0.82 -3.83 5.02 -1.26 -4.87 118.16 109.46 2hgj n LYS 41 Ca 0.10 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.24 2hgj n LYS 41 Cb 0.36 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.39 2hgj n LYS 41 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgj n ARG 42 N 1.09 -0.21 0.00 1.97 3.00 -1.26 -2.01 116.66 119.24 2hgj n ARG 42 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2hgj n ARG 42 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.41 2hgj n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgj n GLY 43 N 3.11 1.77 0.00 5.14 0.00 -1.26 -4.78 105.19 109.16 2hgj n GLY 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj n ALA 44 N 0.30 0.00 -0.14 4.61 0.00 -0.85 -0.48 120.51 123.94 2hgj n ALA 44 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 2hgj n ALA 44 Cb 0.00 0.17 0.72 0.00 0.00 0.00 0.00 19.45 20.34 2hgj n ALA 44 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2hgj h TYR 45 N 0.00 0.00 0.75 0.00 -0.00 -1.86 -1.15 116.97 114.71 2hgj h TYR 45 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2hgj h TYR 45 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.74 2hgj h TYR 45 CO 0.00 0.00 -0.36 0.74 -0.00 0.00 0.00 178.16 178.54 2hgj h PHE 46 N 0.00 -0.94 -0.39 0.10 -1.00 -1.50 -0.95 116.94 112.27 2hgj h PHE 46 Ca 0.40 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 61.23 2hgj h PHE 46 Cb 1.72 0.31 -0.07 0.00 3.61 0.00 0.00 35.95 41.52 2hgj h PHE 46 CO 0.00 -0.57 -0.02 -0.39 -1.61 0.00 0.00 178.31 175.72 2hgj h VAL 47 N -1.20 0.68 -0.38 -0.55 -1.51 -0.15 -0.79 116.25 112.34 2hgj h VAL 47 Ca -0.10 -0.03 0.04 0.00 -1.23 0.00 0.00 66.70 65.38 2hgj h VAL 47 Cb 0.79 0.59 -0.07 0.00 -2.13 0.00 0.00 31.29 30.48 2hgj h VAL 47 CO 0.17 0.01 -0.43 0.00 -1.23 0.00 0.00 177.57 176.09 2hgj h ALA 48 N 1.36 -0.63 -0.72 5.19 0.00 -1.10 0.03 119.26 123.39 2hgj h ALA 48 Ca 0.19 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.27 2hgj h ALA 48 Cb 0.28 1.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 2hgj h ALA 48 CO -0.34 -0.85 -0.01 0.87 0.00 0.00 0.00 179.25 178.91 2hgj h LYS 49 N -0.26 0.10 -0.38 0.00 1.79 0.17 0.13 116.57 118.12 2hgj h LYS 49 Ca 0.07 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.59 2hgj h LYS 49 Cb 0.43 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.00 2hgj h LYS 49 CO -0.49 0.06 0.04 0.28 -1.08 0.00 0.00 179.45 178.26 2hgj h VAL 50 N 0.10 0.76 -0.02 0.50 2.07 0.16 -0.76 116.25 119.05 2hgj h VAL 50 Ca 0.38 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.86 2hgj h VAL 50 Cb 0.65 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2hgj h VAL 50 CO -0.63 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 176.60 2hgj h LEU 51 N 0.15 -0.98 0.00 2.57 4.07 0.95 -0.27 115.31 121.80 2hgj h LEU 51 Ca 0.19 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.26 2hgj h LEU 51 Cb 0.24 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2hgj h LEU 51 CO -0.28 -0.30 0.00 -0.62 -1.08 0.00 0.00 178.44 176.16 2hgj n GLU 52 N -4.22 0.00 -0.29 1.13 4.71 -0.23 0.13 120.64 121.87 2hgj n GLU 52 Ca -0.04 0.54 0.11 0.00 -0.01 0.00 0.00 57.16 57.76 2hgj n GLU 52 Cb 0.23 -0.85 0.34 0.00 -1.01 0.00 0.00 31.44 30.15 2hgj n GLU 52 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2hgj h SER 53 N 0.00 0.72 -0.33 1.62 0.87 -1.08 0.11 113.55 115.46 2hgj h SER 53 Ca 0.00 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 2hgj h SER 53 Cb 0.00 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 61.78 2hgj h SER 53 CO 0.00 0.37 -0.31 0.00 -0.53 0.00 0.00 176.83 176.36 2hgj h ALA 54 N 1.59 -0.20 -0.11 6.23 0.00 0.30 0.16 119.26 127.23 2hgj h ALA 54 Ca 0.47 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2hgj h ALA 54 Cb 0.67 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2hgj h ALA 54 CO -0.23 -0.72 0.07 0.00 0.00 0.00 0.00 179.25 178.37 2hgj h ALA 55 N 0.72 0.13 -0.88 0.00 0.00 0.55 -0.54 119.26 119.25 2hgj h ALA 55 Ca 0.16 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.19 2hgj h ALA 55 Cb 0.53 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 2hgj h ALA 55 CO -0.49 -0.36 -0.36 0.00 0.00 0.00 0.00 179.25 178.04 2hgj h ALA 56 N 1.02 0.13 0.12 0.00 0.00 0.20 0.86 119.26 121.58 2hgj h ALA 56 Ca 0.04 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2hgj h ALA 56 Cb 0.01 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2hgj h ALA 56 CO -0.01 -0.62 -0.37 -0.91 0.00 0.00 0.00 179.25 177.34 2hgj h ASN 57 N -0.05 -1.09 0.00 0.00 -0.26 -0.69 -0.81 115.58 112.68 2hgj h ASN 57 Ca 0.32 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 2hgj h ASN 57 Cb 0.59 0.41 0.00 0.00 -1.06 0.00 0.00 38.32 38.26 2hgj h ASN 57 CO -0.90 -0.45 0.00 0.00 -1.06 0.00 0.00 177.43 175.02 2hgj n ALA 58 N -2.78 0.00 1.09 -0.83 0.00 0.28 -1.12 120.51 117.16 2hgj n ALA 58 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2hgj n ALA 58 Cb 0.36 0.16 0.45 0.00 0.00 0.00 0.00 19.45 20.41 2hgj n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgj n VAL 59 N -0.71 0.00 0.05 0.00 0.31 -0.42 0.42 118.33 117.98 2hgj n VAL 59 Ca 0.00 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.11 2hgj n VAL 59 Cb 0.00 -0.06 -0.13 0.00 -0.91 0.00 0.00 33.84 32.74 2hgj n VAL 59 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2hgj h ASN 60 N 0.16 0.58 0.00 4.52 -1.24 -1.06 -3.34 115.58 115.20 2hgj h ASN 60 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 56.30 56.14 2hgj h ASN 60 Cb 0.47 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2hgj h ASN 60 CO 0.00 1.39 -0.04 0.59 -1.29 0.00 0.00 177.43 178.09 2hgj n ASN 61 N -4.08 0.96 -1.11 1.15 3.02 -0.27 -4.76 115.26 110.17 2hgj n ASN 61 Ca -0.13 -1.62 -0.05 0.00 -0.03 0.00 0.00 54.58 52.75 2hgj n ASN 61 Cb 0.82 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.91 2hgj n ASN 61 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2hgj n HIS 62 N -0.30 -0.21 -0.05 3.10 -0.00 -0.11 -5.01 115.22 112.64 2hgj n HIS 62 Ca 0.01 -0.55 -0.01 0.00 0.46 0.00 0.00 57.72 57.63 2hgj n HIS 62 Cb 0.42 0.57 -0.01 0.00 -0.12 0.00 0.00 29.99 30.86 2hgj n HIS 62 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2hgj n ASP 63 N -0.16 -0.12 -0.07 0.26 5.68 1.43 -4.60 116.55 118.97 2hgj n ASP 63 Ca -0.23 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2hgj n ASP 63 Cb 0.65 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 2hgj n ASP 63 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 2hgj n MET 64 N -4.17 0.00 -0.37 0.11 1.56 -1.26 -2.66 117.12 110.33 2hgj n MET 64 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.26 2hgj n MET 64 Cb 0.04 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.36 2hgj n MET 64 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 2hgj n LEU 65 N 0.00 0.27 0.00 -0.89 7.99 -1.26 -4.80 117.00 118.31 2hgj n LEU 65 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 56.01 54.92 2hgj n LEU 65 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2hgj n LEU 65 CO 0.00 -1.43 0.00 1.21 -1.51 0.00 0.00 177.39 175.66 2hgj n GLU 66 N 5.70 0.00 0.31 3.23 0.00 -1.09 -0.73 120.64 128.06 2hgj n GLU 66 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.37 2hgj n GLU 66 Cb 0.19 0.00 0.12 0.00 0.00 0.00 0.00 31.44 31.76 2hgj n GLU 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2hgj h ASP 67 N 0.00 0.00 0.23 4.31 1.82 -1.90 0.25 116.42 121.13 2hgj h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2hgj h ASP 67 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2hgj h ASP 67 CO 0.00 0.00 -1.22 -2.11 -1.61 0.00 0.00 179.24 174.30 2hgj n ARG 68 N -2.47 0.29 -1.38 0.28 1.85 0.09 -4.93 116.66 110.38 2hgj n ARG 68 Ca -0.00 -0.04 -0.46 0.00 -1.00 0.00 0.00 57.85 56.34 2hgj n ARG 68 Cb 0.87 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.71 2hgj n ARG 68 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hgj n LEU 69 N -1.91 -1.47 -4.06 2.89 4.32 0.07 -4.80 117.00 112.05 2hgj n LEU 69 Ca 0.01 1.04 -0.10 0.00 -0.02 0.00 0.00 56.01 56.94 2hgj n LEU 69 Cb 0.44 -0.96 -0.11 0.00 -1.62 0.00 0.00 43.42 41.17 2hgj n LEU 69 CO 0.42 -3.23 -0.38 -0.72 -1.22 0.00 0.00 177.39 172.27 2hgj s TYR 70 N -1.20 0.55 -0.01 -1.77 -0.85 -0.19 -3.74 117.35 110.13 2hgj s TYR 70 Ca 0.62 -0.69 -0.33 0.00 -0.52 0.00 0.00 57.07 56.15 2hgj s TYR 70 Cb -0.83 -0.35 -0.11 0.00 0.38 0.00 0.00 41.96 41.05 2hgj s TYR 70 CO 0.58 -0.19 1.85 1.55 -1.52 0.00 0.00 175.55 177.83 2hgj n VAL 71 N 0.97 0.52 -2.71 -3.49 3.14 0.61 -0.87 118.33 116.51 2hgj n VAL 71 Ca -0.20 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 60.67 2hgj n VAL 71 Cb 0.57 -1.93 0.01 0.00 -1.06 0.00 0.00 33.84 31.43 2hgj n VAL 71 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2hgj n LYS 72 N 6.28 4.83 -1.30 1.45 4.81 0.47 -3.09 118.16 131.61 2hgj n LYS 72 Ca 0.21 -4.42 0.16 0.00 -0.87 0.00 0.00 58.31 53.39 2hgj n LYS 72 Cb 0.32 -2.54 -0.07 0.00 0.02 0.00 0.00 35.03 32.76 2hgj n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgj n ALA 73 N 0.99 -3.40 0.00 3.14 0.00 -1.24 -4.27 120.51 115.73 2hgj n ALA 73 Ca 0.39 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.57 2hgj n ALA 73 Cb 0.30 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2hgj n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj n ALA 74 N -3.69 0.00 0.00 0.00 0.00 -1.26 -1.17 120.51 114.39 2hgj n ALA 74 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2hgj n ALA 74 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2hgj n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgj n TYR 75 N 4.19 0.00 -4.64 0.00 0.53 0.36 -4.94 117.16 112.66 2hgj n TYR 75 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.58 2hgj n TYR 75 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.24 2hgj n TYR 75 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2hgj s VAL 76 N -1.32 0.77 -0.11 -0.72 0.11 -1.26 -1.02 120.40 116.84 2hgj s VAL 76 Ca 0.00 -2.00 -0.05 0.00 -2.93 0.00 0.00 61.98 57.00 2hgj s VAL 76 Cb 0.00 -2.18 0.05 0.00 -1.53 0.00 0.00 36.38 32.72 2hgj s VAL 76 CO 0.00 0.00 0.26 -0.62 -3.33 0.00 0.00 175.10 171.41 2hgj s ASP 77 N -3.75 -0.11 0.12 3.54 2.15 -0.30 -4.76 116.67 113.55 2hgj s ASP 77 Ca 0.13 0.56 0.02 0.00 0.43 0.00 0.00 52.55 53.69 2hgj s ASP 77 Cb 0.01 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.09 2hgj s ASP 77 CO 0.08 -0.19 0.22 -0.70 -0.17 0.00 0.00 175.17 174.42 2hgj s GLU 78 N 1.57 3.31 0.00 4.34 2.56 -1.26 -0.96 118.70 128.26 2hgj s GLU 78 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.30 2hgj s GLU 78 Cb -0.11 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.10 2hgj s GLU 78 CO -0.09 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.57 2hgj n GLY 79 N -0.18 5.41 1.81 -1.50 0.00 0.08 -4.90 105.19 105.91 2hgj n GLY 79 Ca -0.07 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 2hgj n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgj n PRO 80 N 0.00 -2.42 -3.92 1.61 -0.02 -1.26 -4.39 135.00 124.59 2hgj n PRO 80 Ca 0.00 -0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 60.71 2hgj n PRO 80 Cb 0.00 -1.00 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 2hgj n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgj s ALA 81 N -2.05 -0.11 -0.12 3.55 0.00 -1.26 -1.20 121.76 120.56 2hgj s ALA 81 Ca 0.31 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 2hgj s ALA 81 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2hgj s ALA 81 CO 0.26 -0.21 0.87 -1.17 0.00 0.00 0.00 175.76 175.51 2hgj s LEU 82 N -1.53 4.23 -0.50 0.00 1.98 -0.06 -4.77 118.68 118.03 2hgj s LEU 82 Ca -0.14 1.31 -0.24 0.00 -2.89 0.00 0.00 54.13 52.17 2hgj s LEU 82 Cb -0.07 -3.32 0.03 0.00 0.66 0.00 0.00 46.19 43.49 2hgj s LEU 82 CO -0.00 -0.36 0.88 -0.54 -1.89 0.00 0.00 176.35 174.44 2hgj s LYS 83 N 1.81 3.40 0.33 1.98 1.02 -1.26 -0.83 119.74 126.18 2hgj s LYS 83 Ca 0.42 -0.12 0.10 0.00 0.02 0.00 0.00 55.97 56.39 2hgj s LYS 83 Cb -0.18 -3.99 -0.06 0.00 -0.52 0.00 0.00 37.83 33.09 2hgj s LYS 83 CO 0.16 -1.30 -0.11 1.03 -0.92 0.00 0.00 175.35 174.21 2hgj s ARG 84 N 3.67 1.82 0.01 1.68 0.52 0.03 -5.00 118.95 121.68 2hgj s ARG 84 Ca 0.32 -1.87 -0.17 0.00 -0.52 0.00 0.00 55.73 53.49 2hgj s ARG 84 Cb -0.12 -1.75 0.03 0.00 0.52 0.00 0.00 34.95 33.63 2hgj s ARG 84 CO 0.22 0.19 0.36 0.14 0.02 0.00 0.00 175.30 176.24 2hgj s VAL 85 N -2.57 0.06 0.00 3.52 -7.23 -1.26 -1.04 120.40 111.88 2hgj s VAL 85 Ca 0.32 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2hgj s VAL 85 Cb 0.00 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2hgj s VAL 85 CO 0.16 -0.27 0.00 0.18 -0.31 0.00 0.00 175.10 174.87 2hgj n LEU 86 N 0.87 0.00 -4.38 1.32 4.77 -0.34 -4.98 117.00 114.27 2hgj n LEU 86 Ca -0.20 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.34 2hgj n LEU 86 Cb 0.58 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2hgj n LEU 86 CO 0.21 0.00 0.02 -2.16 -1.33 0.00 0.00 177.39 174.13 2hgj s PRO 87 N -1.05 2.95 -0.83 3.23 0.04 -1.26 -3.80 135.00 134.28 2hgj s PRO 87 Ca 0.00 -1.35 0.01 0.00 0.04 0.00 0.00 61.00 59.70 2hgj s PRO 87 Cb 0.00 -4.10 0.34 0.00 0.04 0.00 0.00 34.50 30.78 2hgj s PRO 87 CO 0.00 -1.01 1.61 -2.13 0.04 0.00 0.00 177.00 175.50 2hgj n ARG 88 N 5.18 4.19 -1.63 4.56 3.00 -1.16 -5.01 116.66 125.78 2hgj n ARG 88 Ca -0.12 -4.45 0.00 0.00 -0.00 0.00 0.00 57.85 53.28 2hgj n ARG 88 Cb 0.44 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.54 2hgj n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgj n ALA 89 N -0.25 -1.98 -4.07 5.13 0.00 -1.26 -4.67 120.51 113.40 2hgj n ALA 89 Ca 0.44 0.49 -0.44 0.00 0.00 0.00 0.00 53.44 53.94 2hgj n ALA 89 Cb 0.32 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.30 2hgj n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgj n ARG 90 N -2.13 -0.44 0.00 0.00 5.12 -1.26 -3.63 116.66 114.32 2hgj n ARG 90 Ca 0.00 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2hgj n ARG 90 Cb 0.35 -2.78 0.00 0.00 -1.16 0.00 0.00 32.46 28.87 2hgj n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgj n GLY 91 N -2.12 0.94 1.39 -0.13 0.00 -1.26 -4.96 105.19 99.05 2hgj n GLY 91 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2hgj n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgj n ARG 92 N 0.00 -2.62 -3.78 1.61 0.63 -1.24 -2.99 116.66 108.27 2hgj n ARG 92 Ca 0.00 1.99 -0.36 0.00 -0.92 0.00 0.00 57.85 58.56 2hgj n ARG 92 Cb 0.00 -2.59 -0.12 0.00 0.45 0.00 0.00 32.46 30.21 2hgj n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgj s ALA 93 N -4.13 3.17 -0.31 5.13 0.00 -1.26 -3.73 121.76 120.63 2hgj s ALA 93 Ca 0.00 -2.58 -0.17 0.00 0.00 0.00 0.00 51.96 49.21 2hgj s ALA 93 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2hgj s ALA 93 CO 0.00 -1.82 0.46 0.16 0.00 0.00 0.00 175.76 174.57 2hgj s ASP 94 N 1.73 6.31 0.06 0.00 3.84 -1.25 -4.99 116.67 122.37 2hgj s ASP 94 Ca 0.09 0.13 -0.05 0.00 -0.00 0.00 0.00 52.55 52.72 2hgj s ASP 94 Cb -0.23 -2.25 -0.05 0.00 -1.38 0.00 0.00 42.92 39.02 2hgj s ASP 94 CO -0.04 -0.35 0.31 -0.63 -0.00 0.00 0.00 175.17 174.45 2hgj s ILE 95 N 2.25 5.25 0.06 2.11 1.09 -1.26 -1.19 121.20 129.52 2hgj s ILE 95 Ca 0.17 0.07 -0.14 0.00 -1.10 0.00 0.00 60.65 59.65 2hgj s ILE 95 Cb -0.16 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.67 2hgj s ILE 95 CO 0.11 0.22 0.33 0.27 -0.10 0.00 0.00 174.94 175.78 2hgj s ILE 96 N -1.45 0.08 -0.26 2.92 -0.00 -0.20 -4.99 121.20 117.30 2hgj s ILE 96 Ca 0.33 -0.68 -0.02 0.00 -0.00 0.00 0.00 60.65 60.29 2hgj s ILE 96 Cb -0.13 -1.03 0.08 0.00 -0.00 0.00 0.00 42.46 41.39 2hgj s ILE 96 CO 0.21 -0.37 0.08 -0.54 -0.00 0.00 0.00 174.94 174.31 2hgj s LYS 97 N -2.92 0.62 0.02 0.37 3.01 -1.25 -0.79 119.74 118.80 2hgj s LYS 97 Ca -0.02 -0.74 -0.30 0.00 -1.01 0.00 0.00 55.97 53.90 2hgj s LYS 97 Cb 0.00 -1.91 -0.08 0.00 -1.01 0.00 0.00 37.83 34.83 2hgj s LYS 97 CO -0.06 -0.85 1.88 0.21 0.51 0.00 0.00 175.35 177.04 2hgj s LYS 98 N 1.78 4.15 -0.18 1.68 2.36 -0.01 -4.67 119.74 124.85 2hgj s LYS 98 Ca 0.05 2.50 -0.29 0.00 -2.55 0.00 0.00 55.97 55.69 2hgj s LYS 98 Cb -0.17 -4.10 -0.03 0.00 -1.05 0.00 0.00 37.83 32.49 2hgj s LYS 98 CO -0.20 -0.92 1.53 1.03 1.55 0.00 0.00 175.35 178.34 2hgj s ARG 99 N 4.29 3.97 -0.09 4.03 1.81 -1.26 -0.88 118.95 130.80 2hgj s ARG 99 Ca 0.84 1.74 -0.21 0.00 -1.72 0.00 0.00 55.73 56.38 2hgj s ARG 99 Cb -0.40 -3.96 -0.04 0.00 -0.45 0.00 0.00 34.95 30.09 2hgj s ARG 99 CO 0.38 -1.08 0.61 0.95 -0.68 0.00 0.00 175.30 175.48 2hgj s THR 100 N 4.58 5.10 -0.04 0.02 -4.23 -0.35 -3.19 115.64 117.54 2hgj s THR 100 Ca 0.67 1.24 0.01 0.00 -1.18 0.00 0.00 61.69 62.44 2hgj s THR 100 Cb -0.25 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.61 2hgj s THR 100 CO 0.26 0.28 -0.05 -0.44 -0.54 0.00 0.00 174.62 174.13 2hgj s SER 101 N 0.74 4.78 -0.00 3.99 0.01 0.89 -0.74 113.70 123.36 2hgj s SER 101 Ca 0.33 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.56 2hgj s SER 101 Cb -0.17 -1.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.86 2hgj s SER 101 CO 0.15 0.33 -0.05 -1.00 0.41 0.00 0.00 173.24 173.07 2hgj s HIS 102 N -0.92 0.49 0.03 2.43 3.76 -0.14 -1.29 115.29 119.65 2hgj s HIS 102 Ca 0.15 -0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.03 2hgj s HIS 102 Cb -0.11 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 2hgj s HIS 102 CO 0.05 -0.01 -0.15 0.96 -0.85 0.00 0.00 174.74 174.74 2hgj s ILE 103 N -0.13 3.00 -0.73 0.60 -0.00 -0.35 -1.15 121.20 122.44 2hgj s ILE 103 Ca 0.02 -1.07 0.02 0.00 -0.00 0.00 0.00 60.65 59.63 2hgj s ILE 103 Cb -0.02 -2.27 0.18 0.00 -0.00 0.00 0.00 42.46 40.35 2hgj s ILE 103 CO -0.00 0.37 0.54 0.28 -0.00 0.00 0.00 174.94 176.13 2hgj s THR 104 N -0.93 3.34 -0.11 8.37 -1.32 -0.19 -1.62 115.64 123.18 2hgj s THR 104 Ca 0.15 -3.95 0.01 0.00 -1.21 0.00 0.00 61.69 56.69 2hgj s THR 104 Cb -0.11 -3.16 0.02 0.00 -1.51 0.00 0.00 72.50 67.74 2hgj s THR 104 CO 0.06 -0.99 -0.14 0.54 -2.21 0.00 0.00 174.62 171.87 2hgj s VAL 105 N -1.18 1.47 0.03 5.08 0.11 0.07 -0.49 120.40 125.48 2hgj s VAL 105 Ca 0.24 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 2hgj s VAL 105 Cb -0.09 -1.35 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 2hgj s VAL 105 CO -0.12 0.44 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.41 2hgj s ILE 106 N 1.10 2.90 -0.07 7.04 1.10 -0.32 -1.03 121.20 131.93 2hgj s ILE 106 Ca -0.04 -1.09 -0.03 0.00 -0.51 0.00 0.00 60.65 58.98 2hgj s ILE 106 Cb -0.14 -2.22 -0.04 0.00 0.15 0.00 0.00 42.46 40.21 2hgj s ILE 106 CO -0.03 0.37 0.06 -0.22 -2.11 0.00 0.00 174.94 173.01 2hgj s LEU 107 N -1.36 3.89 -0.14 8.50 2.96 0.24 -0.40 118.68 132.37 2hgj s LEU 107 Ca 0.15 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2hgj s LEU 107 Cb -0.11 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 2hgj s LEU 107 CO 0.05 0.35 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.44 2hgj s GLY 108 N -1.22 1.47 0.08 7.98 0.00 -0.05 -1.01 107.32 114.57 2hgj s GLY 108 Ca 0.17 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.92 2hgj s GLY 108 CO 0.07 -0.05 1.03 1.18 0.00 0.00 0.00 173.10 175.33 2hgj n GLU 109 N 3.92 0.03 0.00 2.90 -0.58 -1.26 -1.03 120.64 124.62 2hgj n GLU 109 Ca -0.19 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2hgj n GLU 109 Cb 0.52 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2hgj n GLU 109 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82