#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n ILE 2 N 0.00 0.00 0.00 3.17 -5.35 -1.25 -4.30 119.36 111.63 2hgu n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2hgu n ILE 2 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2hgu n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hgu n GLN 3 N 0.00 0.00 0.00 6.28 -0.00 -1.23 -4.87 117.38 117.57 2hgu n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2hgu n GLN 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2hgu n GLN 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2hgu n PRO 4 N -0.88 0.00 -2.41 2.61 -0.04 -1.26 -1.99 135.00 131.02 2hgu n PRO 4 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2hgu n PRO 4 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2hgu n PRO 4 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2hgu s GLN 5 N 0.43 3.17 0.09 0.54 0.74 -1.22 -3.79 119.66 119.64 2hgu s GLN 5 Ca 0.00 0.20 0.04 0.00 0.05 0.00 0.00 55.36 55.65 2hgu s GLN 5 Cb 0.00 -4.18 -0.03 0.00 1.10 0.00 0.00 33.01 29.90 2hgu s GLN 5 CO 0.00 -2.12 -0.11 -0.08 -0.55 0.00 0.00 175.29 172.42 2hgu s THR 6 N 6.32 1.01 -1.12 -0.34 -1.32 -0.25 -4.87 115.64 115.07 2hgu s THR 6 Ca 0.47 -1.55 -0.08 0.00 -1.21 0.00 0.00 61.69 59.32 2hgu s THR 6 Cb -0.10 -1.28 0.28 0.00 -1.51 0.00 0.00 72.50 69.89 2hgu s THR 6 CO 0.20 -0.46 1.17 -1.22 -2.21 0.00 0.00 174.62 172.10 2hgu n TYR 7 N 0.75 4.92 -3.05 9.09 4.01 -1.26 -0.95 117.16 130.66 2hgu n TYR 7 Ca -0.17 -3.75 -0.40 0.00 -0.16 0.00 0.00 57.90 53.41 2hgu n TYR 7 Cb 0.57 -1.66 -0.05 0.00 -0.31 0.00 0.00 39.34 37.89 2hgu n TYR 7 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2hgu s LEU 8 N -1.47 4.15 0.58 7.72 0.20 -0.26 -4.92 118.68 124.68 2hgu s LEU 8 Ca 0.31 0.93 -0.15 0.00 0.69 0.00 0.00 54.13 55.91 2hgu s LEU 8 Cb -0.08 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 42.65 2hgu s LEU 8 CO -0.06 -0.31 1.03 -1.61 -0.29 0.00 0.00 176.35 175.12 2hgu s GLU 9 N 1.99 3.48 0.00 1.98 0.41 0.89 -1.46 118.70 125.98 2hgu s GLU 9 Ca 0.31 1.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 2hgu s GLU 9 Cb -0.16 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 2hgu s GLU 9 CO 0.11 -0.67 0.00 1.55 -0.49 0.00 0.00 175.26 175.76 2hgu n VAL 10 N -2.07 0.00 0.00 2.63 3.14 2.11 -0.68 118.33 123.46 2hgu n VAL 10 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2hgu n VAL 10 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2hgu n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgu n ALA 11 N -3.00 0.00 0.00 1.55 0.00 -1.26 -4.51 120.51 113.29 2hgu n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgu n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hgu n ASP 12 N 0.00 0.00 0.28 0.00 5.75 -1.26 -4.62 116.55 116.70 2hgu n ASP 12 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.96 2hgu n ASP 12 Cb 0.00 0.00 0.83 0.00 -1.03 0.00 0.00 41.12 40.92 2hgu n ASP 12 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2hgu h ASN 13 N 0.00 0.00 -0.86 -1.12 -1.07 -1.90 -3.46 115.58 107.17 2hgu h ASN 13 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 56.30 55.64 2hgu h ASN 13 Cb 0.00 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.27 2hgu h ASN 13 CO 0.00 0.00 0.41 0.35 0.07 0.00 0.00 177.43 178.26 2hgu n THR 14 N -3.00 0.00 0.73 6.14 -2.24 -1.26 -4.47 114.28 110.17 2hgu n THR 14 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgu n THR 14 Cb 0.22 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2hgu n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgu n GLY 15 N 2.73 0.78 3.20 3.38 0.00 -1.26 -4.37 105.19 109.66 2hgu n GLY 15 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 2hgu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu s ALA 16 N -1.12 -3.01 -1.87 4.61 0.00 -1.26 0.07 121.76 119.19 2hgu s ALA 16 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2hgu s ALA 16 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 2hgu s ALA 16 CO 0.00 -1.32 0.25 -2.13 0.00 0.00 0.00 175.76 172.55 2hgu n ARG 17 N 5.37 0.00 -4.04 0.00 0.63 -1.26 -4.56 116.66 112.80 2hgu n ARG 17 Ca -0.06 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.74 2hgu n ARG 17 Cb 0.53 -1.26 -0.13 0.00 0.45 0.00 0.00 32.46 32.05 2hgu n ARG 17 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2hgu s LYS 18 N -1.90 0.35 0.21 -0.14 2.20 -1.26 0.54 119.74 119.73 2hgu s LYS 18 Ca 0.00 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2hgu s LYS 18 Cb 0.00 -0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 2hgu s LYS 18 CO 0.00 0.04 0.01 0.96 -0.36 0.00 0.00 175.35 176.01 2hgu s ILE 19 N -0.73 0.78 -0.20 5.43 -5.25 -0.54 -1.30 121.20 119.39 2hgu s ILE 19 Ca -0.05 -2.00 -0.04 0.00 -0.99 0.00 0.00 60.65 57.57 2hgu s ILE 19 Cb -0.06 -2.27 -0.01 0.00 2.95 0.00 0.00 42.46 43.07 2hgu s ILE 19 CO -0.00 -0.35 -0.04 -0.32 -1.79 0.00 0.00 174.94 172.44 2hgu s MET 20 N -3.92 3.46 0.05 0.37 -2.45 0.07 -1.10 119.30 115.78 2hgu s MET 20 Ca 0.28 -0.60 -0.17 0.00 -1.25 0.00 0.00 55.69 53.95 2hgu s MET 20 Cb 0.06 -2.98 -0.06 0.00 1.25 0.00 0.00 34.83 33.10 2hgu s MET 20 CO 0.07 -0.07 0.50 0.00 1.05 0.00 0.00 175.02 176.58 2hgu n ILE 22 N 1.67 0.00 -4.53 0.00 5.41 0.52 -1.09 119.36 121.35 2hgu n ILE 22 Ca -0.11 0.01 -0.26 0.00 1.00 0.00 0.00 62.75 63.39 2hgu n ILE 22 Cb 0.51 -0.04 -0.14 0.00 -0.71 0.00 0.00 39.64 39.27 2hgu n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgu s ARG 23 N 0.00 1.35 0.35 0.38 1.04 -1.11 -3.37 118.95 117.59 2hgu s ARG 23 Ca 0.00 -1.07 -0.28 0.00 -1.04 0.00 0.00 55.73 53.34 2hgu s ARG 23 Cb 0.00 -1.56 -0.12 0.00 -2.04 0.00 0.00 34.95 31.23 2hgu s ARG 23 CO 0.00 0.39 1.34 1.33 -0.04 0.00 0.00 175.30 178.31 2hgu n VAL 24 N 1.50 2.01 0.39 4.99 0.24 -1.26 -1.17 118.33 125.03 2hgu n VAL 24 Ca -0.18 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.74 2hgu n VAL 24 Cb 0.53 -1.67 0.19 0.00 -1.47 0.00 0.00 33.84 31.43 2hgu n VAL 24 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2hgu h LEU 25 N 2.63 0.00 0.00 1.34 6.46 -1.40 -3.43 115.31 120.92 2hgu h LEU 25 Ca -0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 2hgu h LEU 25 Cb 1.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2hgu h LEU 25 CO 0.63 0.03 0.00 2.29 -0.62 0.00 0.00 178.44 180.76 2hgu n LYS 26 N -2.55 3.35 -1.91 1.25 2.85 -1.26 -4.78 118.16 115.12 2hgu n LYS 26 Ca 0.03 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 2hgu n LYS 26 Cb 0.49 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.84 2hgu n LYS 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2hgu s GLY 27 N 0.00 1.52 0.00 2.58 0.00 -1.26 -4.72 107.32 105.44 2hgu s GLY 27 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.84 2hgu s GLY 27 CO 0.00 3.08 0.02 1.44 0.00 0.00 0.00 173.10 177.64 2hgu n SER 28 N 6.67 -0.05 0.00 1.64 7.64 -1.26 -1.37 113.62 126.89 2hgu n SER 28 Ca 0.17 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2hgu n SER 28 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2hgu n SER 28 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2hgu n ASN 29 N 0.74 0.00 0.00 6.43 2.85 -1.26 -5.12 115.26 118.90 2hgu n ASN 29 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2hgu n ASN 29 Cb 0.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.03 2hgu n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hgu n ALA 30 N 0.00 0.00 0.00 5.20 0.00 -0.47 -4.84 120.51 120.39 2hgu n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgu n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgu n LYS 31 N 0.00 0.00 -3.23 0.00 5.02 -1.26 -4.97 118.16 113.72 2hgu n LYS 31 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2hgu n LYS 31 Cb 0.00 -0.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 2hgu n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2hgu s TYR 32 N -1.75 -1.28 -0.15 2.13 2.02 -1.26 -4.71 117.35 112.34 2hgu s TYR 32 Ca 0.00 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.06 2hgu s TYR 32 Cb 0.00 0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 42.02 2hgu s TYR 32 CO 0.00 -0.69 0.36 0.00 -1.57 0.00 0.00 175.55 173.65 2hgu s ALA 33 N 2.86 3.55 0.35 3.71 0.00 -0.84 -4.86 121.76 126.52 2hgu s ALA 33 Ca 0.11 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2hgu s ALA 33 Cb -0.13 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 2hgu s ALA 33 CO -0.18 0.05 0.03 2.41 0.00 0.00 0.00 175.76 178.07 2hgu n THR 34 N 3.64 0.00 -1.53 0.00 -1.04 -1.26 -3.48 114.28 110.61 2hgu n THR 34 Ca -0.10 -1.75 -0.54 0.00 -2.04 0.00 0.00 64.05 59.62 2hgu n THR 34 Cb 0.52 0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 69.40 2hgu n THR 34 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2hgu n VAL 35 N -0.84 0.44 0.00 12.58 0.31 -1.26 -0.58 118.33 128.97 2hgu n VAL 35 Ca -0.12 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2hgu n VAL 35 Cb 0.46 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2hgu n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgu n GLY 36 N 1.90 3.09 3.77 2.92 0.00 0.31 -4.96 105.19 112.23 2hgu n GLY 36 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2hgu n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hgu s ASP 37 N -0.78 4.95 0.02 1.61 1.11 0.25 -4.72 116.67 119.12 2hgu s ASP 37 Ca 0.00 1.92 0.04 0.00 0.18 0.00 0.00 52.55 54.69 2hgu s ASP 37 Cb 0.00 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 2hgu s ASP 37 CO 0.00 -1.73 -0.09 -0.69 1.18 0.00 0.00 175.17 173.83 2hgu s VAL 38 N -2.55 3.44 0.22 -1.27 1.01 -1.26 -1.14 120.40 118.85 2hgu s VAL 38 Ca 0.65 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2hgu s VAL 38 Cb -0.19 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2hgu s VAL 38 CO 0.46 0.37 0.10 0.27 0.00 0.00 0.00 175.10 176.30 2hgu s ILE 39 N -0.99 0.31 -0.25 2.22 -0.00 -0.05 -1.05 121.20 121.38 2hgu s ILE 39 Ca 0.17 -2.00 -0.08 0.00 -0.00 0.00 0.00 60.65 58.74 2hgu s ILE 39 Cb -0.11 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.46 39.79 2hgu s ILE 39 CO 0.07 -0.04 0.10 0.54 -0.00 0.00 0.00 174.94 175.61 2hgu s VAL 40 N -3.94 4.57 0.11 8.37 0.11 -0.32 -1.41 120.40 127.91 2hgu s VAL 40 Ca 0.37 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.28 2hgu s VAL 40 Cb 0.07 -3.14 0.02 0.00 -1.53 0.00 0.00 36.38 31.80 2hgu s VAL 40 CO 0.12 0.33 0.27 0.00 -3.33 0.00 0.00 175.10 172.49 2hgu n ALA 41 N 4.87 -0.64 -2.31 1.54 0.00 -0.22 -0.35 120.51 123.40 2hgu n ALA 41 Ca -0.16 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 2hgu n ALA 41 Cb 0.52 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 20.18 2hgu n ALA 41 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hgu s SER 42 N -1.70 1.75 -0.01 0.00 1.04 -0.11 -0.96 113.70 113.72 2hgu s SER 42 Ca 0.06 -1.74 -0.30 0.00 0.48 0.00 0.00 55.95 54.45 2hgu s SER 42 Cb -0.01 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2hgu s SER 42 CO 0.03 -1.04 1.05 0.54 0.98 0.00 0.00 173.24 174.81 2hgu s VAL 43 N -3.45 4.61 -0.20 5.02 0.11 -0.43 -0.75 120.40 125.32 2hgu s VAL 43 Ca 0.39 1.88 -0.02 0.00 -2.93 0.00 0.00 61.98 61.30 2hgu s VAL 43 Cb 0.03 -4.21 -0.12 0.00 -1.53 0.00 0.00 36.38 30.55 2hgu s VAL 43 CO 0.26 0.11 -0.20 1.17 -3.33 0.00 0.00 175.10 173.10 2hgu n LYS 44 N 4.22 0.48 -2.91 1.54 4.81 -0.42 -4.78 118.16 121.10 2hgu n LYS 44 Ca 0.08 0.14 -0.32 0.00 -0.87 0.00 0.00 58.31 57.33 2hgu n LYS 44 Cb 0.49 -1.35 -0.05 0.00 0.02 0.00 0.00 35.03 34.14 2hgu n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2hgu s GLU 45 N -2.39 4.01 0.19 1.64 0.41 -0.43 -5.02 118.70 117.11 2hgu s GLU 45 Ca -0.27 0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 54.77 2hgu s GLU 45 Cb 0.08 -2.32 -0.08 0.00 -1.78 0.00 0.00 34.13 30.03 2hgu s GLU 45 CO 0.43 0.02 1.08 0.00 -0.49 0.00 0.00 175.26 176.29 2hgu s ALA 46 N -2.19 3.36 -0.81 5.21 0.00 -1.26 -4.38 121.76 121.69 2hgu s ALA 46 Ca 0.56 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 2hgu s ALA 46 Cb -0.10 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.82 2hgu s ALA 46 CO 0.21 -0.17 0.95 -1.50 0.00 0.00 0.00 175.76 175.25 2hgu s ILE 47 N -0.37 4.89 0.23 0.00 2.07 0.11 -4.16 121.20 123.98 2hgu s ILE 47 Ca 0.48 -1.52 -0.30 0.00 -1.41 0.00 0.00 60.65 57.90 2hgu s ILE 47 Cb -0.29 -4.65 -0.15 0.00 0.13 0.00 0.00 42.46 37.50 2hgu s ILE 47 CO 0.35 -1.32 0.99 -0.81 -1.91 0.00 0.00 174.94 172.24 2hgu n PRO 48 N 6.08 1.06 0.00 3.50 -0.04 -1.25 -4.01 135.00 140.34 2hgu n PRO 48 Ca 0.12 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2hgu n PRO 48 Cb 0.47 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2hgu n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hgu n ARG 49 N 1.15 0.00 -0.92 0.54 5.12 -1.26 -4.78 116.66 116.51 2hgu n ARG 49 Ca 0.13 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.17 2hgu n ARG 49 Cb 0.28 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.54 2hgu n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgu n GLY 50 N 0.00 -2.05 0.01 -0.13 0.00 -1.26 -4.78 105.19 96.99 2hgu n GLY 50 Ca 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 2hgu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 51 N -2.45 2.00 0.31 4.61 0.00 -1.26 -4.77 120.51 118.95 2hgu n ALA 51 Ca -0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 2hgu n ALA 51 Cb 0.43 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 2hgu n ALA 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2hgu h VAL 52 N 0.00 0.00 0.00 0.00 -1.51 -1.89 -3.49 116.25 109.36 2hgu h VAL 52 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2hgu h VAL 52 Cb 0.75 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2hgu h VAL 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 178.63 2hgu n LYS 53 N -4.35 0.00 -2.82 5.19 2.85 -1.26 -4.64 118.16 113.13 2hgu n LYS 53 Ca -0.10 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.15 2hgu n LYS 53 Cb 0.33 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.77 2hgu n LYS 53 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hgu n GLU 54 N 2.55 1.68 0.00 -1.58 -0.58 -1.26 -4.51 120.64 116.94 2hgu n GLU 54 Ca 0.00 -3.37 0.00 0.00 -0.42 0.00 0.00 57.16 53.37 2hgu n GLU 54 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2hgu n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgu n GLY 55 N -0.63 0.87 3.61 0.62 0.00 -1.26 -4.70 105.19 103.70 2hgu n GLY 55 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2hgu n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2hgu s ASP 56 N -0.41 -0.57 0.41 1.61 1.47 -1.26 -1.31 116.67 116.60 2hgu s ASP 56 Ca 0.00 0.97 0.03 0.00 1.18 0.00 0.00 52.55 54.73 2hgu s ASP 56 Cb 0.00 0.94 -0.01 0.00 -0.34 0.00 0.00 42.92 43.51 2hgu s ASP 56 CO 0.00 -0.29 0.11 1.33 0.68 0.00 0.00 175.17 177.00 2hgu n VAL 57 N 1.95 0.00 -4.38 2.11 0.24 -0.13 -4.95 118.33 113.16 2hgu n VAL 57 Ca -0.14 -2.26 -0.23 0.00 -2.04 0.00 0.00 64.34 59.67 2hgu n VAL 57 Cb 0.56 0.73 -0.13 0.00 -1.47 0.00 0.00 33.84 33.53 2hgu n VAL 57 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2hgu s VAL 58 N -2.94 1.55 0.00 3.34 -7.23 -1.26 -1.06 120.40 112.80 2hgu s VAL 58 Ca 0.15 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2hgu s VAL 58 Cb 0.01 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.55 2hgu s VAL 58 CO 0.11 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.19 2hgu n LYS 59 N 1.43 0.00 -5.01 4.82 0.00 -0.50 -0.91 118.16 118.00 2hgu n LYS 59 Ca -0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.84 2hgu n LYS 59 Cb 0.54 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.40 2hgu n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hgu s ALA 60 N -1.00 1.80 0.06 0.58 0.00 -0.56 -0.88 121.76 121.77 2hgu s ALA 60 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 2hgu s ALA 60 Cb 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 2hgu s ALA 60 CO 0.00 0.31 1.26 0.08 0.00 0.00 0.00 175.76 177.41 2hgu s VAL 61 N 0.07 3.85 0.03 0.00 1.01 -0.30 -0.96 120.40 124.10 2hgu s VAL 61 Ca -0.07 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.27 2hgu s VAL 61 Cb -0.13 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2hgu s VAL 61 CO 0.04 0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.38 2hgu s VAL 62 N 1.28 1.18 0.00 2.92 1.01 0.61 -0.53 120.40 126.87 2hgu s VAL 62 Ca 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2hgu s VAL 62 Cb -0.31 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2hgu s VAL 62 CO 0.29 0.09 0.00 1.33 0.00 0.00 0.00 175.10 176.80 2hgu n VAL 63 N 2.05 0.00 0.00 2.92 0.24 -1.26 -1.52 118.33 120.75 2hgu n VAL 63 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2hgu n VAL 63 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2hgu n VAL 63 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2hgu n ARG 64 N -1.30 0.00 -1.62 7.34 -4.01 -0.25 -4.27 116.66 112.55 2hgu n ARG 64 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2hgu n ARG 64 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2hgu n ARG 64 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 2hgu n THR 65 N 0.00 -2.98 0.00 8.89 -2.24 -1.18 -3.16 114.28 113.61 2hgu n THR 65 Ca 0.00 1.38 0.00 0.00 -2.27 0.00 0.00 64.05 63.16 2hgu n THR 65 Cb 0.00 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 2hgu n THR 65 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2hgu n LYS 66 N 0.08 0.00 -0.63 -0.78 3.00 -1.26 -0.03 118.16 118.54 2hgu n LYS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgu n LYS 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgu n LYS 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2hgu n LYS 67 N 0.00 0.00 -2.73 1.64 4.76 -1.26 -4.70 118.16 115.87 2hgu n LYS 67 Ca 0.00 0.21 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 2hgu n LYS 67 Cb 0.00 -0.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.68 2hgu n LYS 67 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hgu s GLU 68 N -0.34 3.72 -0.50 1.97 2.12 -0.04 -4.94 118.70 120.69 2hgu s GLU 68 Ca 0.00 -1.66 -0.16 0.00 0.36 0.00 0.00 54.97 53.51 2hgu s GLU 68 Cb 0.00 -5.20 0.09 0.00 0.26 0.00 0.00 34.13 29.28 2hgu s GLU 68 CO 0.00 -2.01 0.46 0.14 -0.54 0.00 0.00 175.26 173.30 2hgu s VAL 69 N 3.66 5.18 0.19 3.70 -7.23 -1.26 -1.30 120.40 123.34 2hgu s VAL 69 Ca 0.42 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2hgu s VAL 69 Cb -0.01 -4.21 -0.03 0.00 0.56 0.00 0.00 36.38 32.68 2hgu s VAL 69 CO -0.06 -0.70 0.27 -0.54 -0.31 0.00 0.00 175.10 173.77 2hgu s LYS 70 N 1.77 3.31 0.30 4.82 1.02 -0.65 -5.01 119.74 125.30 2hgu s LYS 70 Ca 0.05 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2hgu s LYS 70 Cb -0.25 -2.86 0.67 0.00 -0.52 0.00 0.00 37.83 34.87 2hgu s LYS 70 CO 0.06 0.48 1.57 0.00 -0.92 0.00 0.00 175.35 176.54 2hgu h ARG 71 N 1.84 0.01 0.00 1.68 3.08 -1.98 0.17 114.38 119.17 2hgu h ARG 71 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2hgu h ARG 71 Cb 1.21 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2hgu h ARG 71 CO 0.65 0.00 0.00 -0.35 -1.07 0.00 0.00 179.97 179.20 2hgu n PRO 72 N -5.52 0.28 -2.99 0.04 -0.04 -1.26 -4.84 135.00 120.66 2hgu n PRO 72 Ca 0.21 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 2hgu n PRO 72 Cb 0.69 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2hgu n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2hgu n ASP 73 N -0.96 -7.71 -3.55 3.54 8.00 0.05 -5.02 116.55 110.90 2hgu n ASP 73 Ca 0.06 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.50 2hgu n ASP 73 Cb 0.03 -5.24 -0.02 0.00 -0.02 0.00 0.00 41.12 35.87 2hgu n ASP 73 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2hgu s GLY 74 N -2.91 -0.44 0.21 0.44 0.00 -1.26 -5.03 107.32 98.33 2hgu s GLY 74 Ca 0.04 0.48 -0.22 0.00 0.00 0.00 0.00 44.72 45.01 2hgu s GLY 74 CO 0.74 0.15 0.92 -1.35 0.00 0.00 0.00 173.10 173.56 2hgu s SER 75 N -2.72 -0.12 -0.12 1.64 1.04 -1.26 -1.63 113.70 110.53 2hgu s SER 75 Ca 0.05 -0.60 -0.31 0.00 0.48 0.00 0.00 55.95 55.57 2hgu s SER 75 Cb -0.02 0.58 0.12 0.00 0.10 0.00 0.00 66.02 66.81 2hgu s SER 75 CO -0.07 -1.11 1.03 0.00 0.98 0.00 0.00 173.24 174.07 2hgu s ALA 76 N -2.99 -1.93 -0.02 5.32 0.00 -0.42 -4.99 121.76 116.73 2hgu s ALA 76 Ca 0.15 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2hgu s ALA 76 Cb -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2hgu s ALA 76 CO 0.05 -0.50 -0.01 -1.50 0.00 0.00 0.00 175.76 173.80 2hgu s ILE 77 N -2.10 0.20 -0.19 0.00 2.07 -1.26 -0.86 121.20 119.07 2hgu s ILE 77 Ca 0.04 -0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.21 2hgu s ILE 77 Cb -0.01 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 2hgu s ILE 77 CO -0.04 0.11 0.02 0.00 -1.91 0.00 0.00 174.94 173.12 2hgu s ARG 78 N 0.56 3.76 -0.76 3.50 3.03 -1.26 -4.85 118.95 122.94 2hgu s ARG 78 Ca -0.05 -0.45 -0.22 0.00 2.03 0.00 0.00 55.73 57.03 2hgu s ARG 78 Cb -0.08 -3.12 -0.16 0.00 -1.03 0.00 0.00 34.95 30.55 2hgu s ARG 78 CO -0.01 0.14 1.92 1.19 -1.13 0.00 0.00 175.30 177.41 2hgu n PHE 79 N 3.90 1.83 0.00 5.89 3.01 -1.26 -3.11 117.46 127.73 2hgu n PHE 79 Ca -0.17 -1.78 0.00 0.00 1.01 0.00 0.00 57.45 56.51 2hgu n PHE 79 Cb 0.52 -1.69 0.00 0.00 -0.01 0.00 0.00 39.48 38.30 2hgu n PHE 79 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2hgu n ASP 80 N 7.53 0.00 -3.78 4.37 2.03 -1.26 -5.08 116.55 120.37 2hgu n ASP 80 Ca 0.50 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.54 2hgu n ASP 80 Cb 0.40 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.64 2hgu n ASP 80 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2hgu s ASP 81 N 0.00 2.45 0.13 1.67 -0.00 -1.26 -1.09 116.67 118.57 2hgu s ASP 81 Ca 0.00 -0.54 0.01 0.00 -0.00 0.00 0.00 52.55 52.01 2hgu s ASP 81 Cb 0.00 -0.60 -0.00 0.00 -0.00 0.00 0.00 42.92 42.31 2hgu s ASP 81 CO 0.00 -0.24 0.16 -0.46 -0.00 0.00 0.00 175.17 174.63 2hgu n ASN 82 N 5.05 -0.44 -2.41 0.27 0.23 -0.58 0.30 115.26 117.68 2hgu n ASN 82 Ca -0.09 -1.78 -0.08 0.00 -0.53 0.00 0.00 54.58 52.10 2hgu n ASN 82 Cb 0.48 0.88 0.02 0.00 -2.08 0.00 0.00 39.78 39.07 2hgu n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hgu n ALA 83 N -2.10 -1.22 -2.42 -2.53 0.00 0.14 -0.28 120.51 112.10 2hgu n ALA 83 Ca -0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.07 2hgu n ALA 83 Cb 0.23 0.82 -0.13 0.00 0.00 0.00 0.00 19.45 20.37 2hgu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu s ALA 84 N -1.93 2.49 0.44 0.00 0.00 -0.14 -4.19 121.76 118.42 2hgu s ALA 84 Ca 0.14 -1.34 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 2hgu s ALA 84 Cb -0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 2hgu s ALA 84 CO 0.10 0.56 1.22 0.08 0.00 0.00 0.00 175.76 177.73 2hgu s VAL 85 N -1.01 2.86 -0.17 0.00 1.01 -1.26 -1.49 120.40 120.34 2hgu s VAL 85 Ca 0.15 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.83 2hgu s VAL 85 Cb -0.10 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2hgu s VAL 85 CO 0.06 0.04 -0.15 -0.63 0.00 0.00 0.00 175.10 174.42 2hgu s ILE 86 N -1.41 1.77 -0.54 2.22 1.01 -0.09 -3.00 121.20 121.16 2hgu s ILE 86 Ca 0.61 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2hgu s ILE 86 Cb -0.33 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.48 2hgu s ILE 86 CO 0.41 0.40 1.19 -0.63 0.00 0.00 0.00 174.94 176.31 2hgu s ILE 87 N 1.39 4.07 0.00 2.92 1.01 -0.25 -4.15 121.20 126.19 2hgu s ILE 87 Ca 0.03 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.70 2hgu s ILE 87 Cb -0.14 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.67 2hgu s ILE 87 CO -0.11 -1.20 0.00 0.59 0.00 0.00 0.00 174.94 174.22 2hgu n ASN 88 N 8.28 0.00 0.00 3.58 3.02 -1.26 -0.88 115.26 128.00 2hgu n ASN 88 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2hgu n ASN 88 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2hgu n ASN 88 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2hgu n ASN 89 N 0.61 0.00 0.00 6.41 6.94 -1.26 -4.40 115.26 123.55 2hgu n ASN 89 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2hgu n ASN 89 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2hgu n ASN 89 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2hgu n GLN 90 N 0.00 0.00 0.00 -3.83 7.27 -0.06 -5.08 117.38 115.68 2hgu n GLN 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2hgu n GLN 90 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2hgu n GLN 90 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2hgu n LEU 91 N 0.00 0.00 -4.28 1.69 4.77 -1.23 -2.22 117.00 115.73 2hgu n LEU 91 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2hgu n LEU 91 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2hgu n LEU 91 CO 0.00 0.00 -0.55 -1.84 -1.33 0.00 0.00 177.39 173.67 2hgu n GLU 92 N 0.00 -0.39 -0.04 3.23 0.28 -1.26 -1.09 120.64 121.37 2hgu n GLU 92 Ca 0.00 -0.09 -0.21 0.00 -0.16 0.00 0.00 57.16 56.70 2hgu n GLU 92 Cb 0.00 -1.59 -0.13 0.00 1.43 0.00 0.00 31.44 31.15 2hgu n GLU 92 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2hgu n PRO 93 N -0.56 0.72 -2.97 3.44 -0.04 -1.16 -4.56 135.00 129.86 2hgu n PRO 93 Ca 0.03 0.25 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 2hgu n PRO 93 Cb 0.56 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 2hgu n PRO 93 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2hgu s ARG 94 N -2.54 3.11 0.00 0.54 3.52 -1.26 -4.99 118.95 117.33 2hgu s ARG 94 Ca -0.26 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 2hgu s ARG 94 Cb 0.07 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 2hgu s ARG 94 CO 0.71 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 2hgu n GLY 95 N -2.09 -2.17 0.00 8.12 0.00 -1.26 -4.87 105.19 102.92 2hgu n GLY 95 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2hgu n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgu n THR 96 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.98 114.28 109.60 2hgu n THR 96 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgu n THR 96 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgu n THR 96 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2hgu n ARG 97 N -0.44 0.00 -1.84 -2.82 -4.01 -1.26 -4.67 116.66 101.62 2hgu n ARG 97 Ca 0.00 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.44 2hgu n ARG 97 Cb 0.00 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.38 2hgu n ARG 97 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 2hgu n VAL 98 N 0.00 2.36 -2.53 8.89 0.24 -1.26 -4.60 118.33 121.42 2hgu n VAL 98 Ca 0.00 -2.31 0.00 0.00 -2.04 0.00 0.00 64.34 59.99 2hgu n VAL 98 Cb 0.00 -2.29 0.00 0.00 -1.47 0.00 0.00 33.84 30.08 2hgu n VAL 98 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2hgu n PHE 99 N 10.52 0.00 -4.12 6.34 7.35 -0.83 -4.97 117.46 131.77 2hgu n PHE 99 Ca 0.48 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 57.01 2hgu n PHE 99 Cb 0.44 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.22 2hgu n PHE 99 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgu n GLY 100 N 0.00 2.42 0.00 7.13 0.00 -1.21 -4.18 105.19 109.34 2hgu n GLY 100 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2hgu n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgu n PRO 101 N -0.57 0.98 -2.11 1.61 -0.02 -1.25 -4.96 135.00 128.67 2hgu n PRO 101 Ca 0.03 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.48 2hgu n PRO 101 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2hgu n PRO 101 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hgu n VAL 102 N 0.00 -5.79 0.00 -1.45 0.31 -1.26 -4.77 118.33 105.38 2hgu n VAL 102 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2hgu n VAL 102 Cb 0.00 -5.35 0.00 0.00 -0.91 0.00 0.00 33.84 27.58 2hgu n VAL 102 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgu n ALA 103 N -0.62 0.00 -0.02 3.52 0.00 -1.26 -0.86 120.51 121.27 2hgu n ALA 103 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 2hgu n ALA 103 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 2hgu n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgu n ARG 104 N -2.45 -0.02 0.00 0.00 1.74 -1.26 0.26 116.66 114.93 2hgu n ARG 104 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2hgu n ARG 104 Cb 0.00 -0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 2hgu n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hgu n GLU 105 N -3.41 0.00 -0.31 5.56 1.02 -0.04 -1.02 120.64 122.45 2hgu n GLU 105 Ca 0.00 0.74 0.21 0.00 -0.02 0.00 0.00 57.16 58.09 2hgu n GLU 105 Cb 0.01 -1.41 0.39 0.00 -0.02 0.00 0.00 31.44 30.42 2hgu n GLU 105 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2hgu n LEU 106 N -2.33 0.08 -0.27 -4.62 -0.00 0.73 0.17 117.00 110.77 2hgu n LEU 106 Ca 0.00 1.54 -0.05 0.00 -0.00 0.00 0.00 56.01 57.50 2hgu n LEU 106 Cb 0.00 -0.65 0.06 0.00 -0.00 0.00 0.00 43.42 42.83 2hgu n LEU 106 CO 0.00 -1.63 1.17 0.03 -0.00 0.00 0.00 177.39 176.95 2hgu h ARG 107 N 0.00 0.98 -0.55 1.47 3.08 0.90 1.43 114.38 121.68 2hgu h ARG 107 Ca 0.66 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.71 2hgu h ARG 107 Cb 1.56 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 2hgu h ARG 107 CO -0.79 0.67 0.37 1.49 -1.07 0.00 0.00 179.97 180.64 2hgu h GLU 108 N 1.00 0.41 0.00 0.04 4.57 0.26 -3.44 114.58 117.42 2hgu h GLU 108 Ca 0.27 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2hgu h GLU 108 Cb -0.08 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2hgu h GLU 108 CO -0.05 0.27 0.00 1.63 -1.18 0.00 0.00 179.01 179.68 2hgu n LYS 109 N -4.47 0.00 -1.42 1.92 5.02 0.49 -4.86 118.16 114.83 2hgu n LYS 109 Ca 0.08 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 2hgu n LYS 109 Cb 0.31 0.00 -0.19 0.00 -0.02 0.00 0.00 35.03 35.14 2hgu n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgu n GLY 110 N 0.00 -0.47 0.00 0.72 0.00 -1.26 0.06 105.19 104.24 2hgu n GLY 110 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2hgu n GLY 110 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2hgu n PHE 111 N 7.16 0.00 -0.33 1.61 1.16 -1.26 -4.98 117.46 120.81 2hgu n PHE 111 Ca 0.64 0.00 0.31 0.00 -1.87 0.00 0.00 57.45 56.53 2hgu n PHE 111 Cb 0.09 0.00 0.48 0.00 -1.61 0.00 0.00 39.48 38.44 2hgu n PHE 111 CO 0.00 0.00 0.00 -0.12 -1.87 0.00 0.00 176.76 174.77 2hgu n MET 112 N 0.00 0.01 0.19 3.97 1.56 0.11 0.47 117.12 123.42 2hgu n MET 112 Ca 0.00 0.87 -0.15 0.00 -0.27 0.00 0.00 57.70 58.15 2hgu n MET 112 Cb 0.00 -2.11 -0.08 0.00 2.15 0.00 0.00 33.22 33.18 2hgu n MET 112 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2hgu h LYS 113 N 0.00 -0.41 -0.40 2.12 1.63 -1.94 -0.82 116.57 116.75 2hgu h LYS 113 Ca 0.55 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.45 2hgu h LYS 113 Cb 2.72 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 34.38 2hgu h LYS 113 CO -0.01 -0.25 0.03 0.97 -3.45 0.00 0.00 179.45 176.75 2hgu h ILE 114 N -0.47 0.73 0.00 2.00 2.10 0.99 0.12 117.51 122.97 2hgu h ILE 114 Ca -0.04 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2hgu h ILE 114 Cb 0.36 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 2hgu h ILE 114 CO 0.07 0.03 0.00 0.52 -1.08 0.00 0.00 178.15 177.69 2hgu n VAL 115 N -5.16 0.00 -0.34 2.19 0.31 -0.47 -0.22 118.33 114.64 2hgu n VAL 115 Ca 0.03 0.99 0.06 0.00 -0.01 0.00 0.00 64.34 65.41 2hgu n VAL 115 Cb 0.20 -1.44 0.22 0.00 -0.91 0.00 0.00 33.84 31.91 2hgu n VAL 115 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2hgu h SER 116 N 0.00 0.82 -0.72 4.52 4.64 -0.99 -3.12 113.55 118.71 2hgu h SER 116 Ca 0.00 0.05 0.16 0.00 -0.47 0.00 0.00 61.79 61.53 2hgu h SER 116 Cb 0.00 -0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 61.86 2hgu h SER 116 CO 0.00 0.44 0.08 0.25 -0.87 0.00 0.00 176.83 176.73 2hgu h LEU 117 N 0.91 -0.18 -4.25 5.97 6.46 0.15 -3.29 115.31 121.07 2hgu h LEU 117 Ca 0.47 0.17 -0.58 0.00 -0.12 0.00 0.00 57.88 57.81 2hgu h LEU 117 Cb 0.47 0.27 -0.42 0.00 -0.73 0.00 0.00 40.66 40.24 2hgu h LEU 117 CO -0.27 -0.11 -0.73 0.00 -0.62 0.00 0.00 178.44 176.71 2hgu n ALA 118 N -2.79 5.08 -0.12 1.25 0.00 -0.69 -4.72 120.51 118.51 2hgu n ALA 118 Ca 0.13 -4.13 -0.03 0.00 0.00 0.00 0.00 53.44 49.41 2hgu n ALA 118 Cb 0.45 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2hgu n ALA 118 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hgu n PRO 119 N -0.56 -0.13 -2.47 0.00 -0.02 -1.24 -3.35 135.00 127.23 2hgu n PRO 119 Ca 0.41 0.98 -0.40 0.00 -2.02 0.00 0.00 63.50 62.47 2hgu n PRO 119 Cb 0.76 -1.45 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 2hgu n PRO 119 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hgu s GLU 120 N -3.83 4.60 0.00 -0.52 2.02 -1.26 -3.94 118.70 115.76 2hgu s GLU 120 Ca -0.03 1.79 0.00 0.00 0.02 0.00 0.00 54.97 56.75 2hgu s GLU 120 Cb 0.03 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2hgu s GLU 120 CO 0.18 0.17 0.00 0.28 0.02 0.00 0.00 175.26 175.91 2hgu n VAL 121 N 1.08 0.00 0.00 2.63 0.31 -1.26 -4.82 118.33 116.27 2hgu n VAL 121 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2hgu n VAL 121 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 2hgu n VAL 121 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40