#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n GLU 2 N 0.00 0.00 -3.58 0.03 4.71 -1.26 -4.84 120.64 115.70 2hgu n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 2hgu n GLU 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 2hgu n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgu s ALA 3 N -2.00 3.31 -0.54 0.62 0.00 -0.13 -4.71 121.76 118.31 2hgu s ALA 3 Ca 0.00 -1.94 -0.28 0.00 0.00 0.00 0.00 51.96 49.74 2hgu s ALA 3 Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2hgu s ALA 3 CO 0.00 -1.54 1.30 -1.59 0.00 0.00 0.00 175.76 173.94 2hgu s LYS 4 N 1.51 3.46 -0.89 0.00 0.00 -1.26 -0.88 119.74 121.67 2hgu s LYS 4 Ca 0.02 0.45 -0.00 0.00 0.00 0.00 0.00 55.97 56.44 2hgu s LYS 4 Cb -0.21 -4.05 0.26 0.00 0.00 0.00 0.00 37.83 33.83 2hgu s LYS 4 CO 0.05 -1.74 1.01 0.00 0.00 0.00 0.00 175.35 174.67 2hgu n ALA 5 N 8.87 4.35 -4.10 0.59 0.00 -0.28 -4.40 120.51 125.55 2hgu n ALA 5 Ca 0.11 -4.72 -0.33 0.00 0.00 0.00 0.00 53.44 48.51 2hgu n ALA 5 Cb 0.49 -1.70 -0.16 0.00 0.00 0.00 0.00 19.45 18.08 2hgu n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hgu s ILE 6 N -2.17 2.10 -0.03 0.00 1.01 -1.23 -0.67 121.20 120.21 2hgu s ILE 6 Ca 0.33 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.77 2hgu s ILE 6 Cb 0.03 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2hgu s ILE 6 CO -0.02 0.28 -0.17 0.00 0.00 0.00 0.00 174.94 175.03 2hgu s ALA 7 N 1.21 2.56 0.43 9.38 0.00 -0.41 -4.89 121.76 130.03 2hgu s ALA 7 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2hgu s ALA 7 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2hgu s ALA 7 CO -0.09 0.55 0.00 0.54 0.00 0.00 0.00 175.76 176.76 2hgu n ARG 8 N 2.26 3.38 -0.11 0.00 5.12 -1.26 -0.94 116.66 125.11 2hgu n ARG 8 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 2hgu n ARG 8 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2hgu n ARG 8 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2hgu n TYR 9 N 0.00 0.00 -3.79 -1.55 4.02 -1.26 -3.87 117.16 110.71 2hgu n TYR 9 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 2hgu n TYR 9 Cb 0.00 -0.11 -0.13 0.00 -0.02 0.00 0.00 39.34 39.09 2hgu n TYR 9 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2hgu s VAL 10 N 0.22 3.71 -0.57 -0.72 -7.23 -0.23 -4.93 120.40 110.65 2hgu s VAL 10 Ca 0.00 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2hgu s VAL 10 Cb 0.00 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2hgu s VAL 10 CO 0.00 -0.03 0.00 -2.11 -0.31 0.00 0.00 175.10 172.65 2hgu n ARG 11 N 4.81 0.00 0.00 4.82 0.00 -1.26 -0.17 116.66 124.86 2hgu n ARG 11 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2hgu n ARG 11 Cb 0.46 -1.07 0.00 0.00 -0.00 0.00 0.00 32.46 31.85 2hgu n ARG 11 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2hgu n ILE 12 N 0.59 0.00 -3.45 8.89 -0.00 -1.23 -4.60 119.36 119.57 2hgu n ILE 12 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.62 2hgu n ILE 12 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 2hgu n ILE 12 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2hgu s SER 13 N -1.00 -0.56 0.00 7.28 0.15 -1.26 -4.13 113.70 114.17 2hgu s SER 13 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2hgu s SER 13 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2hgu s SER 13 CO 0.00 -0.85 0.00 -0.81 1.20 0.00 0.00 173.24 172.78 2hgu n PRO 14 N -0.07 0.00 -0.09 5.44 -0.04 -1.26 -1.24 135.00 137.74 2hgu n PRO 14 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 2hgu n PRO 14 Cb 0.63 -0.21 -0.02 0.00 -0.04 0.00 0.00 33.50 33.86 2hgu n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hgu n ARG 15 N 0.00 -0.08 -0.01 0.54 1.74 -1.26 -0.57 116.66 117.01 2hgu n ARG 15 Ca 0.00 0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 57.23 2hgu n ARG 15 Cb 0.00 -0.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 2hgu n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2hgu h LYS 16 N 0.00 0.39 -0.78 5.56 6.56 -2.01 -0.68 116.57 125.62 2hgu h LYS 16 Ca 0.04 -0.39 0.12 0.00 -1.06 0.00 0.00 60.65 59.36 2hgu h LYS 16 Cb 0.09 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 31.77 2hgu h LYS 16 CO -0.20 1.05 0.38 -0.39 -2.06 0.00 0.00 179.45 178.23 2hgu h VAL 17 N -0.12 0.78 0.00 0.50 -1.51 -0.17 -0.67 116.25 115.06 2hgu h VAL 17 Ca -0.06 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2hgu h VAL 17 Cb 1.21 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2hgu h VAL 17 CO 0.10 0.11 0.00 0.54 -1.23 0.00 0.00 177.57 177.09 2hgu n ARG 18 N -4.88 0.00 -0.29 5.19 3.00 0.26 -1.16 116.66 118.79 2hgu n ARG 18 Ca 0.14 0.93 0.05 0.00 -0.01 0.00 0.00 57.85 58.96 2hgu n ARG 18 Cb 0.35 -1.49 0.14 0.00 0.00 0.00 0.00 32.46 31.46 2hgu n ARG 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2hgu h LEU 19 N 0.00 -0.61 -0.23 0.55 3.38 0.29 0.15 115.31 118.85 2hgu h LEU 19 Ca 0.00 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2hgu h LEU 19 Cb 0.00 0.46 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2hgu h LEU 19 CO 0.00 -0.26 -0.51 0.58 0.09 0.00 0.00 178.44 178.34 2hgu h VAL 20 N 0.03 0.04 -0.57 1.22 2.07 0.02 -1.49 116.25 117.56 2hgu h VAL 20 Ca 0.42 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.91 2hgu h VAL 20 Cb 0.71 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2hgu h VAL 20 CO -0.80 0.00 0.24 1.62 0.02 0.00 0.00 177.57 178.65 2hgu h VAL 21 N -0.50 1.22 -0.90 2.57 3.04 0.30 -1.31 116.25 120.66 2hgu h VAL 21 Ca 0.06 -0.66 0.13 0.00 -1.01 0.00 0.00 66.70 65.22 2hgu h VAL 21 Cb 0.65 0.59 -0.14 0.00 -2.01 0.00 0.00 31.29 30.38 2hgu h VAL 21 CO -0.48 0.26 -0.39 0.47 -1.01 0.00 0.00 177.57 176.41 2hgu n ASP 22 N -4.51 -0.66 0.11 3.17 10.43 0.36 -1.06 116.55 124.39 2hgu n ASP 22 Ca 0.03 1.57 -0.22 0.00 2.57 0.00 0.00 54.79 58.74 2hgu n ASP 22 Cb 0.15 -0.32 -0.15 0.00 1.84 0.00 0.00 41.12 42.63 2hgu n ASP 22 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2hgu h LEU 23 N 0.00 0.68 -2.14 0.64 6.46 -1.04 -3.31 115.31 116.60 2hgu h LEU 23 Ca 0.27 -0.81 -0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2hgu h LEU 23 Cb 0.50 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2hgu h LEU 23 CO -0.88 1.65 -0.02 0.16 -0.62 0.00 0.00 178.44 178.73 2hgu h ILE 24 N 0.12 0.10 0.00 4.05 3.07 -0.68 -3.44 117.51 120.73 2hgu h ILE 24 Ca -0.26 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 65.83 2hgu h ILE 24 Cb 2.11 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.95 2hgu h ILE 24 CO 0.23 0.02 0.00 0.54 -1.05 0.00 0.00 178.15 177.89 2hgu n ARG 25 N -3.19 1.98 0.00 0.16 1.74 -0.22 -4.30 116.66 112.83 2hgu n ARG 25 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2hgu n ARG 25 Cb 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 2hgu n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgu n GLY 26 N 0.00 0.30 0.00 -0.13 0.00 -1.26 -4.63 105.19 99.47 2hgu n GLY 26 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2hgu n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgu n LYS 27 N 0.00 1.87 -0.83 1.61 4.01 -1.26 -4.28 118.16 119.28 2hgu n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgu n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2hgu n LYS 27 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2hgu n SER 28 N 0.00 1.11 0.08 4.39 3.41 -1.26 -0.22 113.62 121.14 2hgu n SER 28 Ca 0.00 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.06 2hgu n SER 28 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2hgu n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2hgu h LEU 29 N 0.00 -0.15 0.00 1.04 6.46 -1.80 -0.27 115.31 120.59 2hgu h LEU 29 Ca 0.00 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2hgu h LEU 29 Cb 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2hgu h LEU 29 CO 0.00 0.08 0.00 1.21 -0.62 0.00 0.00 178.44 179.11 2hgu n GLU 30 N -5.08 0.00 0.19 1.25 0.00 -1.26 -0.59 120.64 115.16 2hgu n GLU 30 Ca -0.09 0.37 -0.15 0.00 0.00 0.00 0.00 57.16 57.30 2hgu n GLU 30 Cb 0.17 -0.89 -0.07 0.00 0.00 0.00 0.00 31.44 30.65 2hgu n GLU 30 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2hgu h GLU 31 N 0.00 -0.61 -1.08 5.31 -0.00 -1.99 -1.14 114.58 115.06 2hgu h GLU 31 Ca 0.00 0.04 0.29 0.00 -0.00 0.00 0.00 59.36 59.70 2hgu h GLU 31 Cb 0.00 0.14 -0.10 0.00 -0.00 0.00 0.00 28.75 28.79 2hgu h GLU 31 CO 0.00 -0.41 0.69 0.00 -0.00 0.00 0.00 179.01 179.30 2hgu h ALA 32 N -0.07 2.30 -0.33 1.06 0.00 -1.05 0.40 119.26 121.57 2hgu h ALA 32 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hgu h ALA 32 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2hgu h ALA 32 CO -0.08 -0.75 0.00 -2.13 0.00 0.00 0.00 179.25 176.29 2hgu n ARG 33 N -4.65 0.00 -0.29 0.00 0.00 0.25 -0.85 116.66 111.12 2hgu n ARG 33 Ca 0.27 0.44 0.10 0.00 -0.00 0.00 0.00 57.85 58.67 2hgu n ARG 33 Cb 0.97 -1.32 0.20 0.00 0.00 0.00 0.00 32.46 32.31 2hgu n ARG 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2hgu n ASN 34 N -1.83 -0.17 0.18 6.15 5.03 0.13 -0.55 115.26 124.20 2hgu n ASN 34 Ca 0.00 1.42 -0.13 0.00 0.87 0.00 0.00 54.58 56.74 2hgu n ASN 34 Cb 0.00 -0.49 -0.08 0.00 -1.02 0.00 0.00 39.78 38.20 2hgu n ASN 34 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2hgu h ILE 35 N 0.00 0.61 -0.87 2.41 2.10 -1.15 -0.89 117.51 119.71 2hgu h ILE 35 Ca 0.47 -0.57 0.23 0.00 1.08 0.00 0.00 64.86 66.07 2hgu h ILE 35 Cb 0.89 0.87 -0.14 0.00 -1.09 0.00 0.00 36.82 37.35 2hgu h ILE 35 CO -0.81 0.10 0.21 0.25 -1.08 0.00 0.00 178.15 176.82 2hgu h LEU 36 N -0.82 -0.04 0.13 2.19 7.12 0.12 -0.50 115.31 123.51 2hgu h LEU 36 Ca -0.05 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 2hgu h LEU 36 Cb 0.52 0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 2hgu h LEU 36 CO 0.08 -0.17 -0.06 0.08 -0.13 0.00 0.00 178.44 178.24 2hgu h ARG 37 N 0.19 -0.16 -0.57 1.25 0.11 -0.83 -3.37 114.38 111.00 2hgu h ARG 37 Ca 0.55 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.64 2hgu h ARG 37 Cb 1.10 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2hgu h ARG 37 CO -0.67 0.19 0.00 0.66 0.10 0.00 0.00 179.97 180.26 2hgu n TYR 38 N -4.99 1.24 -3.68 4.08 4.02 -0.35 -4.84 117.16 112.63 2hgu n TYR 38 Ca -0.09 -0.62 -0.37 0.00 -0.01 0.00 0.00 57.90 56.82 2hgu n TYR 38 Cb 0.23 -0.20 -0.06 0.00 -0.02 0.00 0.00 39.34 39.28 2hgu n TYR 38 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2hgu s THR 39 N -1.77 5.32 0.33 -0.72 2.01 -0.26 -5.04 115.64 115.51 2hgu s THR 39 Ca 0.46 0.47 0.07 0.00 0.31 0.00 0.00 61.69 63.00 2hgu s THR 39 Cb 0.29 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2hgu s THR 39 CO 0.22 0.54 0.38 0.54 -0.69 0.00 0.00 174.62 175.61 2hgu s ASN 40 N -0.56 5.64 0.00 3.53 4.22 -1.26 -4.83 114.94 121.68 2hgu s ASN 40 Ca 0.17 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 50.55 2hgu s ASN 40 Cb -0.13 -1.11 0.00 0.00 1.28 0.00 0.00 41.25 41.29 2hgu s ASN 40 CO 0.06 -0.39 0.00 0.29 -2.04 0.00 0.00 177.10 175.02 2hgu n LYS 41 N -1.51 0.00 0.00 3.55 5.02 -1.26 -4.99 118.16 118.97 2hgu n LYS 41 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2hgu n LYS 41 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2hgu n LYS 41 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgu n ARG 42 N -1.58 1.64 0.00 1.97 3.00 -1.26 -3.58 116.66 116.85 2hgu n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2hgu n ARG 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2hgu n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgu n GLY 43 N 1.81 1.85 0.00 5.14 0.00 -1.26 -4.78 105.19 107.95 2hgu n GLY 43 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hgu n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 44 N 0.00 0.00 -0.28 4.61 0.00 -1.23 0.02 120.51 123.62 2hgu n ALA 44 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2hgu n ALA 44 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 2hgu n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgu n TYR 45 N 0.00 0.45 0.23 0.00 0.53 -1.26 -1.23 117.16 115.88 2hgu n TYR 45 Ca 0.00 0.98 -0.15 0.00 -1.02 0.00 0.00 57.90 57.71 2hgu n TYR 45 Cb 0.00 -1.07 -0.08 0.00 -1.03 0.00 0.00 39.34 37.16 2hgu n TYR 45 CO 0.00 0.00 0.00 0.74 -1.02 0.00 0.00 176.86 176.58 2hgu h PHE 46 N 0.00 -0.68 -0.15 -0.72 -1.00 -0.78 -0.80 116.94 112.81 2hgu h PHE 46 Ca 0.46 -0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.12 2hgu h PHE 46 Cb 0.90 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 2hgu h PHE 46 CO -0.47 -0.39 -0.42 -0.39 -1.61 0.00 0.00 178.31 175.03 2hgu h VAL 47 N -0.62 1.31 -0.18 -0.55 -1.51 0.23 -0.56 116.25 114.38 2hgu h VAL 47 Ca -0.04 -1.57 0.02 0.00 -1.23 0.00 0.00 66.70 63.88 2hgu h VAL 47 Cb 0.52 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 2hgu h VAL 47 CO 0.02 0.48 0.07 0.00 -1.23 0.00 0.00 177.57 176.90 2hgu h ALA 48 N 1.26 0.20 0.22 5.19 0.00 -1.00 -0.33 119.26 124.80 2hgu h ALA 48 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hgu h ALA 48 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2hgu h ALA 48 CO 0.07 -0.36 -0.39 0.87 0.00 0.00 0.00 179.25 179.43 2hgu h LYS 49 N 0.15 -0.63 -0.86 0.00 1.79 -0.62 -0.63 116.57 115.77 2hgu h LYS 49 Ca 0.08 0.04 0.22 0.00 -2.18 0.00 0.00 60.65 58.81 2hgu h LYS 49 Cb 0.04 0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 30.70 2hgu h LYS 49 CO -0.08 -0.42 0.18 0.28 -1.08 0.00 0.00 179.45 178.33 2hgu h VAL 50 N -0.66 0.31 0.83 0.50 2.07 -0.91 0.50 116.25 118.89 2hgu h VAL 50 Ca -0.02 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2hgu h VAL 50 Cb 0.61 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2hgu h VAL 50 CO -0.14 0.03 -0.47 -0.07 0.02 0.00 0.00 177.57 176.94 2hgu h LEU 51 N 0.18 -1.17 -0.95 2.57 4.07 -0.84 -0.63 115.31 118.54 2hgu h LEU 51 Ca 0.53 0.06 0.19 0.00 0.08 0.00 0.00 57.88 58.73 2hgu h LEU 51 Cb 1.04 0.33 -0.18 0.00 1.08 0.00 0.00 40.66 42.93 2hgu h LEU 51 CO -0.67 -0.75 -0.26 -0.33 -1.08 0.00 0.00 178.44 175.36 2hgu h GLU 52 N -1.20 -0.00 0.61 1.13 3.07 0.15 0.67 114.58 119.00 2hgu h GLU 52 Ca -0.11 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 2hgu h GLU 52 Cb 0.95 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 2hgu h GLU 52 CO 0.14 -0.00 -0.34 1.03 -1.40 0.00 0.00 179.01 178.44 2hgu h SER 53 N -0.00 -0.83 -0.86 1.42 0.87 -0.88 -0.89 113.55 112.37 2hgu h SER 53 Ca 0.44 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 61.18 2hgu h SER 53 Cb 0.68 0.23 -0.15 0.00 -0.44 0.00 0.00 62.40 62.73 2hgu h SER 53 CO -0.98 -0.55 -0.36 0.00 -0.53 0.00 0.00 176.83 174.41 2hgu h ALA 54 N -0.52 0.11 -0.56 6.23 0.00 0.19 0.11 119.26 124.82 2hgu h ALA 54 Ca -0.08 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2hgu h ALA 54 Cb 0.70 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2hgu h ALA 54 CO 0.10 -0.63 0.17 0.00 0.00 0.00 0.00 179.25 178.89 2hgu h ALA 55 N 1.28 0.73 -0.08 0.00 0.00 -0.82 0.30 119.26 120.66 2hgu h ALA 55 Ca 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hgu h ALA 55 Cb 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2hgu h ALA 55 CO -0.89 0.40 0.05 0.00 0.00 0.00 0.00 179.25 178.81 2hgu h ALA 56 N 1.04 0.10 -0.32 0.00 0.00 0.59 -0.55 119.26 120.11 2hgu h ALA 56 Ca 0.18 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2hgu h ALA 56 Cb 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2hgu h ALA 56 CO -0.00 -0.39 -0.15 -0.91 0.00 0.00 0.00 179.25 177.79 2hgu h ASN 57 N 0.09 -0.51 0.00 0.00 -0.26 -0.96 -1.26 115.58 112.67 2hgu h ASN 57 Ca 0.03 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 2hgu h ASN 57 Cb 0.02 0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 2hgu h ASN 57 CO -0.01 -0.19 0.00 0.00 -1.06 0.00 0.00 177.43 176.18 2hgu n ALA 58 N -2.73 -0.07 0.47 -0.83 0.00 0.09 -0.78 120.51 116.66 2hgu n ALA 58 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2hgu n ALA 58 Cb 0.24 0.16 0.46 0.00 0.00 0.00 0.00 19.45 20.31 2hgu n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgu n VAL 59 N -1.22 0.77 0.02 0.00 0.31 -0.26 0.28 118.33 118.22 2hgu n VAL 59 Ca 0.00 0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 64.23 2hgu n VAL 59 Cb 0.00 -1.01 -0.14 0.00 -0.91 0.00 0.00 33.84 31.78 2hgu n VAL 59 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2hgu h ASN 60 N 0.00 0.42 0.00 4.52 -1.24 -1.24 -3.25 115.58 114.79 2hgu h ASN 60 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.13 2hgu h ASN 60 Cb 0.43 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2hgu h ASN 60 CO 0.00 1.71 -0.02 0.59 -1.29 0.00 0.00 177.43 178.42 2hgu n ASN 61 N -3.78 1.63 0.00 1.15 3.02 0.04 -4.48 115.26 112.85 2hgu n ASN 61 Ca -0.27 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 2hgu n ASN 61 Cb 0.96 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 2hgu n ASN 61 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2hgu n HIS 62 N -0.55 0.00 0.00 3.10 -0.00 0.28 -4.95 115.22 113.10 2hgu n HIS 62 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2hgu n HIS 62 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2hgu n HIS 62 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2hgu n ASP 63 N -1.32 0.00 -0.65 0.26 9.92 0.78 -4.88 116.55 120.66 2hgu n ASP 63 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 2hgu n ASP 63 Cb 0.21 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.68 2hgu n ASP 63 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2hgu n MET 64 N 0.00 -0.52 -1.55 -1.24 1.56 -1.26 -3.34 117.12 110.77 2hgu n MET 64 Ca 0.00 0.41 -0.16 0.00 -0.27 0.00 0.00 57.70 57.68 2hgu n MET 64 Cb 0.00 -1.04 -0.09 0.00 2.15 0.00 0.00 33.22 34.24 2hgu n MET 64 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 2hgu n LEU 65 N -2.89 1.30 -0.05 -0.89 7.99 -1.26 -4.75 117.00 116.44 2hgu n LEU 65 Ca -0.01 -1.28 -0.01 0.00 -0.01 0.00 0.00 56.01 54.70 2hgu n LEU 65 Cb 0.27 -1.48 -0.01 0.00 -0.11 0.00 0.00 43.42 42.09 2hgu n LEU 65 CO 0.01 -2.38 0.16 1.21 -1.51 0.00 0.00 177.39 174.87 2hgu n GLU 66 N 8.29 -0.05 -0.29 3.23 0.00 -1.26 -0.77 120.64 129.79 2hgu n GLU 66 Ca 0.50 0.38 0.30 0.00 0.00 0.00 0.00 57.16 58.35 2hgu n GLU 66 Cb 0.39 -0.57 0.47 0.00 0.00 0.00 0.00 31.44 31.73 2hgu n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2hgu n ASP 67 N -3.07 0.00 -0.62 4.31 3.85 -1.26 -0.93 116.55 118.83 2hgu n ASP 67 Ca 0.00 0.74 0.06 0.00 -0.71 0.00 0.00 54.79 54.88 2hgu n ASP 67 Cb 0.03 -0.28 0.12 0.00 -1.35 0.00 0.00 41.12 39.64 2hgu n ASP 67 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2hgu n ARG 68 N -3.21 2.00 -1.71 0.11 1.85 0.05 -4.82 116.66 110.92 2hgu n ARG 68 Ca 0.25 -1.76 -0.43 0.00 -1.00 0.00 0.00 57.85 54.92 2hgu n ARG 68 Cb 1.50 -1.27 -0.01 0.00 -1.05 0.00 0.00 32.46 31.62 2hgu n ARG 68 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hgu n LEU 69 N 0.64 3.82 -4.02 2.89 4.32 -0.11 -3.60 117.00 120.95 2hgu n LEU 69 Ca 0.11 1.19 -0.14 0.00 -0.02 0.00 0.00 56.01 57.15 2hgu n LEU 69 Cb 0.39 -1.52 -0.12 0.00 -1.62 0.00 0.00 43.42 40.55 2hgu n LEU 69 CO 0.08 -0.27 -0.40 -0.72 -1.22 0.00 0.00 177.39 174.86 2hgu s TYR 70 N -0.75 0.57 -0.00 -1.77 -0.85 0.01 -2.31 117.35 112.25 2hgu s TYR 70 Ca 0.58 -0.35 -0.31 0.00 -0.52 0.00 0.00 57.07 56.47 2hgu s TYR 70 Cb -0.55 -0.35 -0.10 0.00 0.38 0.00 0.00 41.96 41.33 2hgu s TYR 70 CO 0.58 -0.06 1.94 1.55 -1.52 0.00 0.00 175.55 178.04 2hgu n VAL 71 N 2.00 0.69 -3.73 -3.49 3.14 0.70 -0.76 118.33 116.88 2hgu n VAL 71 Ca -0.19 -0.12 -0.36 0.00 -2.96 0.00 0.00 64.34 60.70 2hgu n VAL 71 Cb 0.56 -2.16 -0.10 0.00 -1.06 0.00 0.00 33.84 31.08 2hgu n VAL 71 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2hgu s LYS 72 N 4.27 2.50 0.51 1.45 2.20 0.23 -4.37 119.74 126.53 2hgu s LYS 72 Ca 0.90 -2.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 2hgu s LYS 72 Cb -0.52 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2hgu s LYS 72 CO 0.45 -1.16 0.00 0.00 -0.36 0.00 0.00 175.35 174.28 2hgu n ALA 73 N 3.54 -1.76 -3.00 3.13 0.00 -1.25 -3.59 120.51 117.58 2hgu n ALA 73 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2hgu n ALA 73 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2hgu n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu n ALA 74 N -2.47 0.00 0.00 0.00 0.00 -1.26 -1.31 120.51 115.46 2hgu n ALA 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 74 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2hgu n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgu n TYR 75 N 0.00 0.00 -4.09 0.00 0.53 0.61 -4.93 117.16 109.28 2hgu n TYR 75 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.63 2hgu n TYR 75 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.26 2hgu n TYR 75 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2hgu s VAL 76 N -1.39 4.48 -0.08 -0.72 0.11 -1.26 -0.91 120.40 120.62 2hgu s VAL 76 Ca 0.00 -1.20 0.04 0.00 -2.93 0.00 0.00 61.98 57.88 2hgu s VAL 76 Cb 0.00 -3.34 -0.01 0.00 -1.53 0.00 0.00 36.38 31.50 2hgu s VAL 76 CO 0.00 -0.20 -0.21 -0.62 -3.33 0.00 0.00 175.10 170.74 2hgu s ASP 77 N -3.39 3.41 -0.29 3.54 2.15 -0.00 -4.94 116.67 117.15 2hgu s ASP 77 Ca 0.32 -0.44 0.03 0.00 0.43 0.00 0.00 52.55 52.89 2hgu s ASP 77 Cb -0.09 -1.14 0.07 0.00 -0.30 0.00 0.00 42.92 41.46 2hgu s ASP 77 CO 0.24 0.22 -0.05 -0.70 -0.17 0.00 0.00 175.17 174.71 2hgu s GLU 78 N -0.01 2.06 0.00 4.34 2.56 -1.26 -0.71 118.70 125.68 2hgu s GLU 78 Ca -0.07 -1.49 0.00 0.00 0.00 0.00 0.00 54.97 53.42 2hgu s GLU 78 Cb -0.15 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 32.97 2hgu s GLU 78 CO 0.05 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 2hgu n GLY 79 N 4.40 -1.06 1.47 -1.50 0.00 0.20 -4.90 105.19 103.80 2hgu n GLY 79 Ca -0.09 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 2hgu n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgu n PRO 80 N -0.92 0.00 -5.00 1.61 -0.02 -1.26 -3.93 135.00 125.48 2hgu n PRO 80 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 2hgu n PRO 80 Cb 0.00 -0.49 -0.16 0.00 -0.02 0.00 0.00 33.50 32.83 2hgu n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgu s ALA 81 N -0.98 1.78 0.11 3.55 0.00 -1.26 -1.30 121.76 123.66 2hgu s ALA 81 Ca 0.18 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2hgu s ALA 81 Cb 0.04 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 2hgu s ALA 81 CO 0.33 0.32 0.99 -1.17 0.00 0.00 0.00 175.76 176.23 2hgu s LEU 82 N 0.03 4.48 -0.17 0.00 1.98 -0.25 -4.79 118.68 119.96 2hgu s LEU 82 Ca -0.06 1.83 -0.04 0.00 -2.89 0.00 0.00 54.13 52.97 2hgu s LEU 82 Cb -0.13 -3.59 -0.02 0.00 0.66 0.00 0.00 46.19 43.11 2hgu s LEU 82 CO 0.03 -0.12 -0.04 -0.54 -1.89 0.00 0.00 176.35 173.80 2hgu s LYS 83 N 0.10 3.61 0.23 1.98 1.02 -1.25 -1.00 119.74 124.43 2hgu s LYS 83 Ca 0.48 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.96 2hgu s LYS 83 Cb -0.24 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 2hgu s LYS 83 CO 0.30 0.15 0.02 1.03 -0.92 0.00 0.00 175.35 175.93 2hgu s ARG 84 N 0.60 1.34 0.48 1.68 0.52 -0.01 -4.95 118.95 118.60 2hgu s ARG 84 Ca -0.03 -1.68 0.02 0.00 -0.52 0.00 0.00 55.73 53.52 2hgu s ARG 84 Cb -0.14 -0.52 0.01 0.00 0.52 0.00 0.00 34.95 34.81 2hgu s ARG 84 CO 0.02 -0.14 0.68 0.14 0.02 0.00 0.00 175.30 176.03 2hgu s VAL 85 N -3.50 3.38 -0.01 3.52 -7.23 -1.26 -0.87 120.40 114.43 2hgu s VAL 85 Ca 0.30 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 2hgu s VAL 85 Cb 0.06 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2hgu s VAL 85 CO 0.09 -0.15 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.48 2hgu s LEU 86 N -4.58 1.84 -0.84 1.32 2.96 -0.32 -4.82 118.68 114.25 2hgu s LEU 86 Ca 0.52 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 2hgu s LEU 86 Cb -0.10 -0.23 0.18 0.00 0.50 0.00 0.00 46.19 46.54 2hgu s LEU 86 CO 0.37 0.02 0.88 -2.16 -1.32 0.00 0.00 176.35 174.14 2hgu s PRO 87 N 0.13 3.54 -0.55 0.98 0.04 -1.26 -3.56 135.00 134.32 2hgu s PRO 87 Ca -0.01 -2.10 0.01 0.00 0.04 0.00 0.00 61.00 58.94 2hgu s PRO 87 Cb -0.04 -4.58 0.51 0.00 0.04 0.00 0.00 34.50 30.42 2hgu s PRO 87 CO -0.00 -1.48 1.87 -2.13 0.04 0.00 0.00 177.00 175.29 2hgu n ARG 88 N 5.11 2.63 0.00 4.56 3.00 -1.22 -5.01 116.66 125.73 2hgu n ARG 88 Ca 0.15 -3.32 0.00 0.00 -0.00 0.00 0.00 57.85 54.67 2hgu n ARG 88 Cb 0.47 -2.23 0.00 0.00 0.00 0.00 0.00 32.46 30.70 2hgu n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgu n ALA 89 N -0.96 -0.13 -4.44 5.13 0.00 -1.26 -4.88 120.51 113.97 2hgu n ALA 89 Ca 0.58 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 2hgu n ALA 89 Cb 0.95 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.21 2hgu n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgu n ARG 90 N 1.03 -1.57 0.00 0.00 5.12 -1.26 -3.43 116.66 116.55 2hgu n ARG 90 Ca 0.00 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2hgu n ARG 90 Cb 0.00 -4.85 0.00 0.00 -1.16 0.00 0.00 32.46 26.45 2hgu n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgu n GLY 91 N -1.18 1.53 0.21 -0.13 0.00 -1.26 -4.96 105.19 99.41 2hgu n GLY 91 Ca 0.11 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2hgu n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgu n ARG 92 N 0.00 0.00 -4.08 1.61 0.63 -1.22 -3.44 116.66 110.15 2hgu n ARG 92 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 2hgu n ARG 92 Cb 0.00 -0.08 -0.05 0.00 0.45 0.00 0.00 32.46 32.77 2hgu n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgu s ALA 93 N -0.31 3.56 0.11 5.13 0.00 -1.26 -3.42 121.76 125.58 2hgu s ALA 93 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2hgu s ALA 93 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.79 2hgu s ALA 93 CO 0.00 0.50 0.39 0.16 0.00 0.00 0.00 175.76 176.81 2hgu s ASP 94 N -3.10 -0.22 0.29 0.00 3.84 -1.23 -4.98 116.67 111.26 2hgu s ASP 94 Ca 0.31 -0.29 0.06 0.00 -0.00 0.00 0.00 52.55 52.63 2hgu s ASP 94 Cb -0.10 0.46 -0.06 0.00 -1.38 0.00 0.00 42.92 41.84 2hgu s ASP 94 CO 0.23 -0.82 -0.05 0.27 -0.00 0.00 0.00 175.17 174.81 2hgu s ILE 95 N -3.64 1.63 -0.06 2.11 -5.25 -1.26 -1.17 121.20 113.56 2hgu s ILE 95 Ca 0.02 -2.11 0.03 0.00 -0.99 0.00 0.00 60.65 57.60 2hgu s ILE 95 Cb 0.02 -2.51 0.01 0.00 2.95 0.00 0.00 42.46 42.93 2hgu s ILE 95 CO -0.11 -0.26 -0.13 0.27 -1.79 0.00 0.00 174.94 172.92 2hgu s ILE 96 N -3.02 1.20 -0.47 8.37 -4.36 -0.05 -4.95 121.20 117.93 2hgu s ILE 96 Ca 0.30 -0.54 -0.02 0.00 -0.26 0.00 0.00 60.65 60.14 2hgu s ILE 96 Cb 0.04 -1.08 0.13 0.00 1.25 0.00 0.00 42.46 42.80 2hgu s ILE 96 CO 0.13 0.37 0.26 -1.59 0.24 0.00 0.00 174.94 174.34 2hgu s LYS 97 N 0.51 2.10 -0.12 0.37 -2.85 -1.25 -0.83 119.74 117.67 2hgu s LYS 97 Ca -0.12 -2.09 -0.30 0.00 -1.00 0.00 0.00 55.97 52.46 2hgu s LYS 97 Cb -0.15 -3.57 -0.01 0.00 -2.06 0.00 0.00 37.83 32.04 2hgu s LYS 97 CO 0.04 -1.09 1.09 0.21 0.10 0.00 0.00 175.35 175.70 2hgu s LYS 98 N 0.67 4.35 -0.01 1.78 2.20 -0.17 -4.82 119.74 123.74 2hgu s LYS 98 Ca 0.12 1.50 -0.30 0.00 -0.36 0.00 0.00 55.97 56.92 2hgu s LYS 98 Cb -0.22 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 2hgu s LYS 98 CO -0.04 -0.45 1.40 1.03 -0.36 0.00 0.00 175.35 176.94 2hgu s ARG 99 N 2.42 4.28 -0.30 4.03 1.81 -1.26 -1.09 118.95 128.83 2hgu s ARG 99 Ca 0.50 1.96 -0.13 0.00 -1.72 0.00 0.00 55.73 56.34 2hgu s ARG 99 Cb -0.20 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.67 2hgu s ARG 99 CO 0.17 -0.59 0.29 0.95 -0.68 0.00 0.00 175.30 175.43 2hgu s THR 100 N 2.52 5.23 0.15 0.02 -4.23 -0.42 -3.48 115.64 115.43 2hgu s THR 100 Ca 0.64 0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 61.11 2hgu s THR 100 Cb -0.31 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 69.77 2hgu s THR 100 CO 0.26 0.09 0.67 -0.44 -0.54 0.00 0.00 174.62 174.66 2hgu s SER 101 N 1.72 7.14 -0.09 3.99 0.01 0.76 -0.63 113.70 126.60 2hgu s SER 101 Ca 0.10 1.41 0.01 0.00 1.31 0.00 0.00 55.95 58.78 2hgu s SER 101 Cb -0.16 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2hgu s SER 101 CO 0.11 0.18 -0.11 -1.00 0.41 0.00 0.00 173.24 172.82 2hgu s HIS 102 N -1.26 1.61 -0.05 2.43 3.76 0.12 -1.07 115.29 120.82 2hgu s HIS 102 Ca 0.36 -0.72 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 2hgu s HIS 102 Cb -0.19 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 2hgu s HIS 102 CO 0.22 -0.41 -0.21 0.96 -0.85 0.00 0.00 174.74 174.44 2hgu s ILE 103 N 1.11 2.40 -0.36 0.60 -0.00 -0.11 -0.82 121.20 124.01 2hgu s ILE 103 Ca -0.06 -0.95 -0.05 0.00 -0.00 0.00 0.00 60.65 59.59 2hgu s ILE 103 Cb -0.14 -1.90 0.07 0.00 -0.00 0.00 0.00 42.46 40.49 2hgu s ILE 103 CO -0.02 0.57 0.13 0.28 -0.00 0.00 0.00 174.94 175.91 2hgu s THR 104 N -0.36 3.50 -0.05 8.37 -1.32 -0.09 -1.29 115.64 124.41 2hgu s THR 104 Ca 0.03 -1.52 -0.01 0.00 -1.21 0.00 0.00 61.69 58.98 2hgu s THR 104 Cb -0.12 -3.14 0.03 0.00 -1.51 0.00 0.00 72.50 67.75 2hgu s THR 104 CO 0.02 -0.37 0.02 0.54 -2.21 0.00 0.00 174.62 172.62 2hgu s VAL 105 N 1.29 0.20 -0.27 5.08 0.11 0.15 -0.28 120.40 126.69 2hgu s VAL 105 Ca 0.01 0.19 -0.04 0.00 -2.93 0.00 0.00 61.98 59.21 2hgu s VAL 105 Cb -0.21 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2hgu s VAL 105 CO -0.00 0.21 0.01 -0.51 -3.33 0.00 0.00 175.10 171.48 2hgu s ILE 106 N 1.80 3.49 0.39 7.04 1.10 -0.43 -1.12 121.20 133.47 2hgu s ILE 106 Ca 0.01 -0.77 -0.23 0.00 -0.51 0.00 0.00 60.65 59.16 2hgu s ILE 106 Cb -0.12 -2.75 -0.10 0.00 0.15 0.00 0.00 42.46 39.63 2hgu s ILE 106 CO -0.04 0.18 0.96 -0.22 -2.11 0.00 0.00 174.94 173.71 2hgu s LEU 107 N 1.44 4.11 0.21 8.50 2.96 -0.06 -0.60 118.68 135.23 2hgu s LEU 107 Ca 0.02 1.77 -0.07 0.00 -0.22 0.00 0.00 54.13 55.63 2hgu s LEU 107 Cb -0.16 -4.32 -0.02 0.00 0.50 0.00 0.00 46.19 42.19 2hgu s LEU 107 CO -0.01 -0.26 0.30 -0.83 -1.32 0.00 0.00 176.35 174.23 2hgu s GLY 108 N -1.92 0.90 -0.22 7.98 0.00 0.06 -0.95 107.32 113.16 2hgu s GLY 108 Ca 0.57 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2hgu s GLY 108 CO 0.18 -0.99 0.19 -0.54 0.00 0.00 0.00 173.10 171.94 2hgu s GLU 109 N -4.07 4.12 0.00 2.90 0.41 -1.26 -0.81 118.70 119.99 2hgu s GLU 109 Ca 0.28 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 2hgu s GLU 109 Cb 0.03 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 2hgu s GLU 109 CO 0.09 0.12 0.33 1.63 -0.49 0.00 0.00 175.26 176.93