#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n LYS 2 N 0.00 0.07 -2.77 2.12 4.81 -1.26 -3.93 118.16 117.20 2hgu n LYS 2 Ca 0.00 -1.50 -0.42 0.00 -0.87 0.00 0.00 58.31 55.52 2hgu n LYS 2 Cb 0.00 -3.57 -0.03 0.00 0.02 0.00 0.00 35.03 31.44 2hgu n LYS 2 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2hgu s VAL 3 N 15.15 4.65 -0.14 3.15 1.01 -0.19 -1.05 120.40 142.97 2hgu s VAL 3 Ca 0.74 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 64.08 2hgu s VAL 3 Cb -0.03 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2hgu s VAL 3 CO 0.19 -0.36 0.36 -0.63 0.00 0.00 0.00 175.10 174.66 2hgu s ILE 4 N 3.31 5.26 -0.20 2.22 -1.09 0.35 -0.71 121.20 130.33 2hgu s ILE 4 Ca 0.40 0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 59.37 2hgu s ILE 4 Cb -0.13 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2hgu s ILE 4 CO 0.13 0.37 0.36 -0.76 -1.23 0.00 0.00 174.94 173.81 2hgu s LEU 5 N 0.52 4.16 -0.20 2.97 1.43 -0.08 -0.79 118.68 126.70 2hgu s LEU 5 Ca 0.20 0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.61 2hgu s LEU 5 Cb -0.14 -2.45 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 2hgu s LEU 5 CO 0.06 -0.04 -0.10 -0.11 0.23 0.00 0.00 176.35 176.39 2hgu n LEU 6 N 4.38 1.87 -0.46 1.79 0.00 0.15 -3.28 117.00 121.45 2hgu n LEU 6 Ca -0.09 0.46 0.07 0.00 0.00 0.00 0.00 56.01 56.45 2hgu n LEU 6 Cb 0.51 -0.88 0.18 0.00 0.00 0.00 0.00 43.42 43.24 2hgu n LEU 6 CO 0.39 0.01 0.53 -0.62 0.00 0.00 0.00 177.39 177.71 2hgu n GLU 7 N -4.46 1.63 -4.40 1.96 4.71 -0.86 -0.83 120.64 118.39 2hgu n GLU 7 Ca -0.26 -2.92 -0.29 0.00 -0.01 0.00 0.00 57.16 53.68 2hgu n GLU 7 Cb 0.56 -1.61 -0.12 0.00 -1.01 0.00 0.00 31.44 29.26 2hgu n GLU 7 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2hgu s PRO 8 N -3.03 1.71 -0.34 3.49 0.05 -1.25 -1.01 135.00 134.62 2hgu s PRO 8 Ca 0.37 -1.20 0.14 0.00 0.05 0.00 0.00 61.00 60.36 2hgu s PRO 8 Cb 0.33 -2.05 0.43 0.00 0.05 0.00 0.00 34.50 33.25 2hgu s PRO 8 CO 0.00 0.48 1.38 -0.11 0.05 0.00 0.00 177.00 178.80 2hgu n LEU 9 N 0.97 -0.79 -1.69 -3.56 0.00 -1.22 -3.14 117.00 107.57 2hgu n LEU 9 Ca -0.16 -3.28 -0.13 0.00 0.00 0.00 0.00 56.01 52.43 2hgu n LEU 9 Cb 0.53 0.17 0.01 0.00 0.00 0.00 0.00 43.42 44.13 2hgu n LEU 9 CO 0.26 1.63 -0.07 -0.62 0.00 0.00 0.00 177.39 178.59 2hgu n GLU 10 N -1.03 -2.07 0.00 1.96 4.71 -1.26 -4.57 120.64 118.38 2hgu n GLU 10 Ca -0.08 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 2hgu n GLU 10 Cb 0.85 -4.73 0.00 0.00 -1.01 0.00 0.00 31.44 26.55 2hgu n GLU 10 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2hgu n ASN 11 N -0.63 0.00 -0.72 1.62 6.94 -1.26 -4.94 115.26 116.27 2hgu n ASN 11 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 2hgu n ASN 11 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2hgu n ASN 11 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2hgu n LEU 12 N 0.00 0.00 -0.90 -4.53 4.77 -1.25 -4.22 117.00 110.86 2hgu n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hgu n LEU 12 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hgu n LEU 12 CO 0.00 0.00 0.15 0.61 -1.33 0.00 0.00 177.39 176.82 2hgu n GLY 13 N 0.61 0.63 0.00 -0.72 0.00 -1.05 -4.33 105.19 100.33 2hgu n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgu n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgu n ASP 14 N 0.74 0.00 -1.12 1.61 9.92 -0.18 -3.39 116.55 124.14 2hgu n ASP 14 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2hgu n ASP 14 Cb 0.15 -0.08 0.01 0.00 -0.64 0.00 0.00 41.12 40.55 2hgu n ASP 14 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2hgu n VAL 15 N -0.09 0.00 0.00 2.53 0.31 -0.01 -3.86 118.33 117.22 2hgu n VAL 15 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2hgu n VAL 15 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2hgu n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgu n GLY 16 N 0.75 0.98 3.47 2.92 0.00 -1.26 -4.87 105.19 107.17 2hgu n GLY 16 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2hgu n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hgu s GLN 17 N -0.08 1.35 -0.29 1.61 -0.21 -1.26 -5.09 119.66 115.69 2hgu s GLN 17 Ca 0.00 -1.14 -0.14 0.00 0.02 0.00 0.00 55.36 54.10 2hgu s GLN 17 Cb 0.00 0.44 0.11 0.00 1.00 0.00 0.00 33.01 34.56 2hgu s GLN 17 CO 0.00 -0.54 0.75 0.08 -2.12 0.00 0.00 175.29 173.46 2hgu s VAL 18 N -3.97 -0.31 0.25 1.09 1.01 -1.24 -0.91 120.40 116.33 2hgu s VAL 18 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2hgu s VAL 18 Cb 0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2hgu s VAL 18 CO 0.03 0.00 0.19 0.52 0.00 0.00 0.00 175.10 175.84 2hgu n VAL 19 N 4.58 0.00 -3.74 2.92 0.31 0.11 -4.85 118.33 117.66 2hgu n VAL 19 Ca -0.17 -1.75 -0.36 0.00 -0.01 0.00 0.00 64.34 62.04 2hgu n VAL 19 Cb 0.56 0.85 -0.10 0.00 -0.91 0.00 0.00 33.84 34.23 2hgu n VAL 19 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hgu s ASP 20 N -2.70 5.78 -0.31 4.52 2.15 -1.26 -1.02 116.67 123.84 2hgu s ASP 20 Ca 0.27 0.01 0.07 0.00 0.43 0.00 0.00 52.55 53.33 2hgu s ASP 20 Cb 0.01 -2.04 0.46 0.00 -0.30 0.00 0.00 42.92 41.05 2hgu s ASP 20 CO 0.19 0.04 1.25 0.52 -0.17 0.00 0.00 175.17 177.01 2hgu n VAL 21 N 4.41 2.57 -0.65 1.11 0.31 -1.25 -5.00 118.33 119.83 2hgu n VAL 21 Ca -0.15 -4.02 0.03 0.00 -0.01 0.00 0.00 64.34 60.19 2hgu n VAL 21 Cb 0.52 -1.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.40 2hgu n VAL 21 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hgu n LYS 22 N -0.77 -0.50 0.00 5.55 4.76 -1.26 0.21 118.16 126.14 2hgu n LYS 22 Ca 0.43 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 2hgu n LYS 22 Cb 0.93 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 2hgu n LYS 22 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2hgu n PRO 23 N -2.47 0.00 -0.32 1.97 -0.02 -1.26 -0.70 135.00 132.19 2hgu n PRO 23 Ca -0.01 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.69 2hgu n PRO 23 Cb 0.48 0.00 0.43 0.00 -0.02 0.00 0.00 33.50 34.39 2hgu n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2hgu h GLY 24 N 0.00 1.87 0.00 -1.23 0.00 -1.98 0.15 103.07 101.89 2hgu h GLY 24 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2hgu h GLY 24 CO 0.00 -0.50 0.00 -1.72 0.00 0.00 0.00 176.54 174.32 2hgu n TYR 25 N -5.15 0.00 0.00 5.60 4.01 -1.25 0.67 117.16 121.05 2hgu n TYR 25 Ca 0.29 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.01 2hgu n TYR 25 Cb 0.93 -0.21 -0.01 0.00 -0.31 0.00 0.00 39.34 39.74 2hgu n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hgu h ALA 26 N -0.78 -0.51 -1.01 -0.72 0.00 0.51 -0.83 119.26 115.91 2hgu h ALA 26 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hgu h ALA 26 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2hgu h ALA 26 CO 0.00 -0.54 0.00 0.54 0.00 0.00 0.00 179.25 179.25 2hgu n ARG 27 N -2.95 0.00 0.00 0.00 1.74 0.21 -0.81 116.66 114.85 2hgu n ARG 27 Ca -0.01 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.22 2hgu n ARG 27 Cb 0.05 -0.01 0.72 0.00 -1.02 0.00 0.00 32.46 32.21 2hgu n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2hgu n ASN 28 N 0.00 0.56 -0.09 0.55 2.85 -0.35 -1.37 115.26 117.42 2hgu n ASN 28 Ca 0.00 -0.99 -0.23 0.00 -0.11 0.00 0.00 54.58 53.25 2hgu n ASN 28 Cb 0.00 -0.03 -0.12 0.00 1.24 0.00 0.00 39.78 40.87 2hgu n ASN 28 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2hgu n TYR 29 N -0.66 0.59 0.02 1.20 4.02 -0.35 -4.20 117.16 117.77 2hgu n TYR 29 Ca 0.19 0.18 0.07 0.00 -0.01 0.00 0.00 57.90 58.34 2hgu n TYR 29 Cb 0.23 -1.07 -0.11 0.00 -0.02 0.00 0.00 39.34 38.38 2hgu n TYR 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2hgu n LEU 30 N -3.89 0.02 0.00 7.72 7.99 0.00 -4.69 117.00 124.17 2hgu n LEU 30 Ca -0.41 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.57 2hgu n LEU 30 Cb 0.90 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.21 2hgu n LEU 30 CO 0.22 0.01 0.31 0.18 -1.51 0.00 0.00 177.39 176.60 2hgu n LEU 31 N -1.96 1.11 0.34 2.23 4.77 -0.47 -4.65 117.00 118.37 2hgu n LEU 31 Ca -0.02 -1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 54.66 2hgu n LEU 31 Cb 0.36 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 2hgu n LEU 31 CO 0.30 0.28 0.59 1.55 -1.33 0.00 0.00 177.39 178.78 2hgu h PRO 32 N 0.00 -0.94 0.00 3.23 0.13 -1.60 -3.42 132.00 129.40 2hgu h PRO 32 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2hgu h PRO 32 Cb 0.40 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2hgu h PRO 32 CO 0.00 -0.62 0.00 2.89 -0.23 0.00 0.00 178.00 180.04 2hgu n ARG 33 N -5.54 0.00 -1.12 0.86 0.00 -1.26 -4.73 116.66 104.87 2hgu n ARG 33 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.70 2hgu n ARG 33 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.86 2hgu n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgu n GLY 34 N 0.00 0.71 0.21 2.89 0.00 -1.26 -4.92 105.19 102.82 2hgu n GLY 34 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.76 2hgu n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgu n LEU 35 N 0.18 1.18 0.00 0.99 7.99 -1.26 -4.74 117.00 121.34 2hgu n LEU 35 Ca -0.13 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.08 2hgu n LEU 35 Cb 0.84 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 2hgu n LEU 35 CO -0.09 0.24 0.00 0.00 -1.51 0.00 0.00 177.39 176.03 2hgu n ALA 36 N -0.21 0.00 -3.00 -1.18 0.00 -1.26 -0.67 120.51 114.19 2hgu n ALA 36 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2hgu n ALA 36 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2hgu n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgu n VAL 37 N 0.94 0.00 -3.89 0.00 0.31 0.03 -4.88 118.33 110.85 2hgu n VAL 37 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2hgu n VAL 37 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 2hgu n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2hgu s LEU 38 N 0.00 2.01 0.00 7.52 1.98 -1.26 -0.50 118.68 128.43 2hgu s LEU 38 Ca 0.00 -0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.17 2hgu s LEU 38 Cb 0.00 0.05 0.00 0.00 0.66 0.00 0.00 46.19 46.90 2hgu s LEU 38 CO 0.00 -0.06 0.00 0.00 -1.89 0.00 0.00 176.35 174.40 2hgu n ALA 39 N 2.81 0.00 -1.79 5.97 0.00 -0.21 -4.68 120.51 122.61 2hgu n ALA 39 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2hgu n ALA 39 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2hgu n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgu n THR 40 N 0.00 -5.76 -0.04 0.00 -1.04 -1.26 -1.37 114.28 104.80 2hgu n THR 40 Ca 0.00 2.65 0.20 0.00 -2.04 0.00 0.00 64.05 64.86 2hgu n THR 40 Cb 0.00 -3.57 0.66 0.00 -1.82 0.00 0.00 70.33 65.59 2hgu n THR 40 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2hgu h GLU 41 N 2.23 0.08 -0.15 -2.82 5.08 -1.99 0.52 114.58 117.53 2hgu h GLU 41 Ca 0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2hgu h GLU 41 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2hgu h GLU 41 CO 0.00 0.05 -0.01 1.03 -1.00 0.00 0.00 179.01 179.08 2hgu h SER 42 N 0.08 -0.07 -0.19 1.42 0.87 -1.95 0.38 113.55 114.09 2hgu h SER 42 Ca 0.29 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 2hgu h SER 42 Cb 1.03 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2hgu h SER 42 CO -0.03 -0.02 -0.47 0.78 -0.53 0.00 0.00 176.83 176.57 2hgu h ASN 43 N 0.04 0.74 -0.56 6.23 -0.26 0.31 -0.66 115.58 121.42 2hgu h ASN 43 Ca 0.07 -0.57 0.09 0.00 -0.56 0.00 0.00 56.30 55.33 2hgu h ASN 43 Cb 0.09 -0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 37.06 2hgu h ASN 43 CO -0.12 1.18 0.16 -0.07 -1.06 0.00 0.00 177.43 177.51 2hgu h LEU 44 N 0.34 0.10 0.06 1.61 3.38 -1.03 0.48 115.31 120.24 2hgu h LEU 44 Ca -0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2hgu h LEU 44 Cb 1.08 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 2hgu h LEU 44 CO 0.10 0.07 -0.46 0.50 0.09 0.00 0.00 178.44 178.75 2hgu h LYS 45 N 0.31 -0.62 -0.69 1.13 1.63 -0.50 -0.42 116.57 117.41 2hgu h LYS 45 Ca 0.28 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.24 2hgu h LYS 45 Cb 0.37 0.14 -0.11 0.00 -0.60 0.00 0.00 32.23 32.03 2hgu h LYS 45 CO -0.33 -0.42 -0.26 0.00 -3.45 0.00 0.00 179.45 175.00 2hgu n ALA 46 N -2.89 -0.05 -0.15 5.00 0.00 0.16 0.26 120.51 122.83 2hgu n ALA 46 Ca -0.07 0.70 -0.03 0.00 0.00 0.00 0.00 53.44 54.04 2hgu n ALA 46 Cb 0.39 -0.33 0.06 0.00 0.00 0.00 0.00 19.45 19.57 2hgu n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hgu h LEU 47 N 0.00 0.07 -0.93 0.00 5.85 0.01 -0.86 115.31 119.45 2hgu h LEU 47 Ca 0.25 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 2hgu h LEU 47 Cb 0.43 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2hgu h LEU 47 CO -0.69 0.07 0.28 -0.33 -0.34 0.00 0.00 178.44 177.42 2hgu h GLU 48 N 0.28 1.05 0.03 1.25 3.07 0.49 -0.21 114.58 120.53 2hgu h GLU 48 Ca 0.24 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2hgu h GLU 48 Cb 0.29 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2hgu h GLU 48 CO -0.28 0.86 -0.12 0.00 -1.40 0.00 0.00 179.01 178.07 2hgu h ALA 49 N 1.27 -0.66 0.00 3.43 0.00 0.75 -0.41 119.26 123.65 2hgu h ALA 49 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2hgu h ALA 49 Cb 0.21 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2hgu h ALA 49 CO -0.02 -0.69 -0.10 0.54 0.00 0.00 0.00 179.25 178.99 2hgu n ARG 50 N -3.13 0.27 0.06 0.00 1.74 -0.47 -1.18 116.66 113.94 2hgu n ARG 50 Ca -0.02 0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2hgu n ARG 50 Cb 0.09 -1.80 -0.08 0.00 -1.02 0.00 0.00 32.46 29.66 2hgu n ARG 50 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2hgu h ILE 51 N 0.00 1.02 0.21 0.55 2.04 -0.91 0.58 117.51 121.00 2hgu h ILE 51 Ca 0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2hgu h ILE 51 Cb 0.75 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2hgu h ILE 51 CO 0.00 0.07 -0.23 0.03 0.00 0.00 0.00 178.15 178.02 2hgu h ARG 52 N -0.21 -0.43 -0.44 2.37 3.08 -0.99 -0.21 114.38 117.55 2hgu h ARG 52 Ca -0.01 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2hgu h ARG 52 Cb 0.18 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2hgu h ARG 52 CO 0.01 -0.29 -0.26 0.00 -1.07 0.00 0.00 179.97 178.37 2hgu n ALA 53 N -2.52 -0.28 -0.22 0.04 0.00 -0.33 0.45 120.51 117.65 2hgu n ALA 53 Ca -0.05 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 2hgu n ALA 53 Cb 0.21 0.03 0.12 0.00 0.00 0.00 0.00 19.45 19.81 2hgu n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2hgu h GLN 54 N 0.00 1.04 -0.37 0.00 5.75 -0.82 -0.34 115.11 120.37 2hgu h GLN 54 Ca 0.07 -0.20 0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2hgu h GLN 54 Cb 0.18 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 2hgu h GLN 54 CO -0.41 0.88 -0.02 0.00 -2.65 0.00 0.00 178.83 176.63 2hgu h ALA 55 N 1.24 0.32 -0.50 3.38 0.00 0.19 -0.05 119.26 123.83 2hgu h ALA 55 Ca 0.23 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2hgu h ALA 55 Cb 0.26 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2hgu h ALA 55 CO -0.01 -0.41 -0.08 0.87 0.00 0.00 0.00 179.25 179.62 2hgu h LYS 56 N 0.08 0.94 0.35 0.00 1.57 -0.68 -0.32 116.57 118.50 2hgu h LYS 56 Ca 0.18 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2hgu h LYS 56 Cb 0.26 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2hgu h LYS 56 CO -0.32 1.00 -0.34 -0.09 -0.57 0.00 0.00 179.45 179.14 2hgu h ARG 57 N 0.80 -0.68 -0.25 3.15 2.43 -0.64 0.50 114.38 119.68 2hgu h ARG 57 Ca 0.13 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2hgu h ARG 57 Cb 0.63 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2hgu h ARG 57 CO 0.04 -0.46 0.15 -0.07 -1.51 0.00 0.00 179.97 178.13 2hgu h LEU 58 N -0.71 0.30 -0.51 3.80 3.38 -1.04 -0.37 115.31 120.16 2hgu h LEU 58 Ca -0.02 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2hgu h LEU 58 Cb 0.64 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 2hgu h LEU 58 CO -0.06 0.27 -0.34 0.00 0.09 0.00 0.00 178.44 178.40 2hgu h ALA 59 N 1.05 -0.12 -0.01 1.53 0.00 -0.86 -0.43 119.26 120.42 2hgu h ALA 59 Ca 0.09 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2hgu h ALA 59 Cb 0.02 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2hgu h ALA 59 CO -0.02 -0.71 -0.49 1.49 0.00 0.00 0.00 179.25 179.53 2hgu h GLU 60 N -0.20 -0.58 -0.97 0.00 4.22 -0.31 -0.09 114.58 116.66 2hgu h GLU 60 Ca 0.20 0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.83 2hgu h GLU 60 Cb 0.55 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.77 2hgu h GLU 60 CO -0.62 -0.38 -0.38 0.54 -2.18 0.00 0.00 179.01 175.99 2hgu n ARG 61 N -5.15 -0.23 -0.05 1.92 5.12 -0.20 0.20 116.66 118.26 2hgu n ARG 61 Ca -0.07 1.49 -0.08 0.00 -1.93 0.00 0.00 57.85 57.26 2hgu n ARG 61 Cb 0.36 -2.21 -0.06 0.00 -1.16 0.00 0.00 32.46 29.39 2hgu n ARG 61 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2hgu h LYS 62 N 0.00 -0.27 -0.44 5.56 1.57 0.04 -0.65 116.57 122.38 2hgu h LYS 62 Ca 0.34 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 2hgu h LYS 62 Cb 0.58 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 2hgu h LYS 62 CO -0.96 -0.18 -0.51 0.00 -0.57 0.00 0.00 179.45 177.23 2hgu h ALA 63 N -0.67 -0.71 -0.93 3.86 0.00 0.40 0.51 119.26 121.72 2hgu h ALA 63 Ca 0.03 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2hgu h ALA 63 Cb 0.37 1.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2hgu h ALA 63 CO -0.30 -0.96 0.59 0.93 0.00 0.00 0.00 179.25 179.50 2hgu h GLU 64 N -0.31 1.02 0.03 0.00 5.08 -1.03 0.57 114.58 119.95 2hgu h GLU 64 Ca 0.08 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2hgu h GLU 64 Cb 0.51 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2hgu h GLU 64 CO -0.58 0.68 -0.34 0.00 -1.00 0.00 0.00 179.01 177.77 2hgu h ALA 65 N 1.44 -0.81 -0.80 3.43 0.00 -0.23 -1.30 119.26 120.99 2hgu h ALA 65 Ca 0.41 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.43 2hgu h ALA 65 Cb 0.21 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 2hgu h ALA 65 CO -0.19 -0.91 -0.16 0.93 0.00 0.00 0.00 179.25 178.93 2hgu h GLU 66 N -0.46 0.01 -0.25 0.00 3.07 0.12 0.12 114.58 117.20 2hgu h GLU 66 Ca 0.00 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 2hgu h GLU 66 Cb 0.48 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 2hgu h GLU 66 CO -0.21 0.01 -0.13 0.00 -1.40 0.00 0.00 179.01 177.28 2hgu h ARG 67 N 0.02 -0.09 -0.60 2.33 -0.00 -0.62 -1.14 114.38 114.28 2hgu h ARG 67 Ca 0.40 0.01 -0.08 0.00 -0.50 0.00 0.00 59.98 59.81 2hgu h ARG 67 Cb 0.64 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.60 2hgu h ARG 67 CO -0.80 -0.06 0.08 -0.07 0.00 0.00 0.00 179.97 179.12 2hgu h LEU 68 N -0.09 0.98 -0.49 3.04 3.38 -0.00 -1.30 115.31 120.82 2hgu h LEU 68 Ca 0.13 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.93 2hgu h LEU 68 Cb 0.30 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 2hgu h LEU 68 CO -0.31 1.00 -0.27 0.07 0.09 0.00 0.00 178.44 179.02 2hgu h LYS 69 N 0.92 -0.15 0.38 1.13 2.10 -0.07 -0.53 116.57 120.34 2hgu h LYS 69 Ca 0.18 0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 2hgu h LYS 69 Cb 0.45 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2hgu h LYS 69 CO 0.02 -0.10 -0.18 -0.22 -2.00 0.00 0.00 179.45 176.96 2hgu h LYS 70 N -0.16 -0.49 -0.37 0.07 1.63 -1.18 0.23 116.57 116.29 2hgu h LYS 70 Ca 0.22 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.12 2hgu h LYS 70 Cb 0.51 0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 32.16 2hgu h LYS 70 CO -0.58 -0.21 -0.37 0.82 -3.45 0.00 0.00 179.45 175.66 2hgu h ILE 71 N -1.02 0.18 -0.20 2.00 2.04 -1.05 0.12 117.51 119.58 2hgu h ILE 71 Ca -0.05 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 2hgu h ILE 71 Cb 0.52 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2hgu h ILE 71 CO 0.09 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.89 2hgu h LEU 72 N -0.31 0.59 -2.14 1.44 3.38 -1.15 -0.95 115.31 116.17 2hgu h LEU 72 Ca 0.15 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2hgu h LEU 72 Cb 0.57 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2hgu h LEU 72 CO -0.54 0.98 -0.07 -0.33 0.09 0.00 0.00 178.44 178.57 2hgu h GLU 73 N 0.20 0.00 0.11 1.13 5.08 -0.67 -3.03 114.58 117.41 2hgu h GLU 73 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2hgu h GLU 73 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2hgu h GLU 73 CO 0.06 0.07 -0.06 -0.97 -1.00 0.00 0.00 179.01 177.12 2hgu h ASN 74 N 0.00 -0.13 -3.81 1.42 -1.24 -0.68 -3.47 115.58 107.67 2hgu h ASN 74 Ca -0.00 0.00 -0.46 0.00 0.71 0.00 0.00 56.30 56.55 2hgu h ASN 74 Cb 0.20 0.03 0.17 0.00 0.73 0.00 0.00 38.32 39.45 2hgu h ASN 74 CO 0.01 -0.03 0.17 -0.22 -1.29 0.00 0.00 177.43 176.07 2hgu s LEU 75 N -5.22 1.64 0.12 0.34 1.98 -0.39 -5.02 118.68 112.14 2hgu s LEU 75 Ca -0.02 1.37 0.06 0.00 -2.89 0.00 0.00 54.13 52.65 2hgu s LEU 75 Cb 0.00 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.26 2hgu s LEU 75 CO 0.07 -3.25 -0.03 0.42 -1.89 0.00 0.00 176.35 171.67 2hgu s THR 76 N -2.84 3.73 -0.42 3.68 -4.23 -1.26 -4.46 115.64 109.84 2hgu s THR 76 Ca 0.66 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 2hgu s THR 76 Cb -0.20 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 70.95 2hgu s THR 76 CO 0.59 0.04 0.16 -1.48 -0.54 0.00 0.00 174.62 173.39 2hgu s LEU 77 N -2.50 4.04 -0.18 4.79 2.34 -0.05 -5.05 118.68 122.08 2hgu s LEU 77 Ca 0.25 -2.49 -0.10 0.00 0.06 0.00 0.00 54.13 51.85 2hgu s LEU 77 Cb -0.11 -1.47 -0.05 0.00 -0.56 0.00 0.00 46.19 44.00 2hgu s LEU 77 CO 0.17 -0.31 0.15 0.42 -1.06 0.00 0.00 176.35 175.72 2hgu s THR 78 N 0.45 5.42 -0.08 5.48 -4.23 -1.24 -0.67 115.64 120.76 2hgu s THR 78 Ca 0.14 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 2hgu s THR 78 Cb -0.22 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.16 2hgu s THR 78 CO -0.06 0.47 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.71 2hgu s ILE 79 N 0.08 1.43 -0.86 2.99 1.09 0.54 -4.97 121.20 121.50 2hgu s ILE 79 Ca 0.10 -0.64 -0.25 0.00 -1.10 0.00 0.00 60.65 58.76 2hgu s ILE 79 Cb -0.11 -1.28 -0.08 0.00 -1.06 0.00 0.00 42.46 39.92 2hgu s ILE 79 CO -0.00 0.42 2.12 -2.84 -0.10 0.00 0.00 174.94 174.54 2hgu s PRO 80 N 0.64 2.20 0.37 2.79 0.02 -1.26 -1.40 135.00 138.36 2hgu s PRO 80 Ca -0.14 -0.00 0.01 0.00 0.02 0.00 0.00 61.00 60.89 2hgu s PRO 80 Cb -0.16 -4.96 -0.02 0.00 0.02 0.00 0.00 34.50 29.38 2hgu s PRO 80 CO 0.04 -3.77 0.56 0.14 -0.33 0.00 0.00 177.00 173.64 2hgu s VAL 81 N 11.82 4.74 -0.19 3.83 -7.23 -0.29 -4.83 120.40 128.24 2hgu s VAL 81 Ca 0.78 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2hgu s VAL 81 Cb -0.09 -3.72 0.05 0.00 0.56 0.00 0.00 36.38 33.17 2hgu s VAL 81 CO 0.02 -0.45 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.16 2hgu s ARG 82 N -4.34 1.69 0.00 4.82 1.81 -1.26 -1.07 118.95 120.59 2hgu s ARG 82 Ca 0.42 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 2hgu s ARG 82 Cb -0.10 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 2hgu s ARG 82 CO 0.36 -0.47 0.00 0.00 -0.68 0.00 0.00 175.30 174.51 2hgu n ALA 83 N 4.76 0.00 -2.55 2.13 0.00 -1.26 -3.22 120.51 120.38 2hgu n ALA 83 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 2hgu n ALA 83 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.01 2hgu n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 84 N 0.00 0.70 1.76 0.00 0.00 -1.26 -4.81 105.19 101.58 2hgu n GLY 84 Ca 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 2hgu n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgu n GLU 85 N -2.46 0.97 0.00 1.61 4.71 -1.26 -4.54 120.64 119.68 2hgu n GLU 85 Ca 0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2hgu n GLU 85 Cb 0.47 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.57 2hgu n GLU 85 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2hgu n THR 86 N 1.89 0.00 -2.91 2.62 -1.04 -1.26 -5.05 114.28 108.54 2hgu n THR 86 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 2hgu n THR 86 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 2hgu n THR 86 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2hgu s LYS 87 N 2.50 4.23 0.99 -2.82 1.02 -0.84 -3.27 119.74 121.55 2hgu s LYS 87 Ca 0.00 0.94 -0.12 0.00 0.02 0.00 0.00 55.97 56.81 2hgu s LYS 87 Cb 0.00 -3.61 0.13 0.00 -0.52 0.00 0.00 37.83 33.83 2hgu s LYS 87 CO 0.00 -0.41 0.79 -0.89 -0.92 0.00 0.00 175.35 173.92 2hgu n ILE 88 N 4.99 0.00 -0.35 2.17 -0.00 -0.01 -4.60 119.36 121.56 2hgu n ILE 88 Ca 0.04 -0.16 0.09 0.00 -0.00 0.00 0.00 62.75 62.73 2hgu n ILE 88 Cb 0.48 -0.84 0.27 0.00 -0.00 0.00 0.00 39.64 39.55 2hgu n ILE 88 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 2hgu h TYR 89 N -1.94 1.10 -0.91 1.39 0.99 -1.91 -3.32 116.97 112.37 2hgu h TYR 89 Ca -0.47 0.03 -0.35 0.00 2.00 0.00 0.00 58.73 59.94 2hgu h TYR 89 Cb 1.29 -0.35 -0.40 0.00 1.00 0.00 0.00 36.73 38.27 2hgu h TYR 89 CO 0.40 0.40 -1.15 0.41 -0.00 0.00 0.00 178.16 178.21 2hgu n GLY 90 N -1.35 1.88 0.59 3.88 0.00 -1.26 -5.14 105.19 103.79 2hgu n GLY 90 Ca 0.20 -1.34 0.02 0.00 0.00 0.00 0.00 46.02 44.89 2hgu n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgu n SER 91 N -0.20 -0.73 -4.42 1.61 3.41 -1.25 -4.85 113.62 107.19 2hgu n SER 91 Ca 0.11 0.13 -0.44 0.00 -0.26 0.00 0.00 58.87 58.41 2hgu n SER 91 Cb 0.81 -1.82 -0.06 0.00 -0.26 0.00 0.00 64.21 62.87 2hgu n SER 91 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2hgu s VAL 92 N -4.75 4.97 -0.19 -3.33 1.01 0.10 -4.96 120.40 113.25 2hgu s VAL 92 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 2hgu s VAL 92 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2hgu s VAL 92 CO 0.00 -0.78 0.34 0.28 0.00 0.00 0.00 175.10 174.94 2hgu s THR 93 N 2.35 5.25 0.66 3.92 -1.32 -1.26 -1.22 115.64 124.02 2hgu s THR 93 Ca 0.12 0.61 0.12 0.00 -1.21 0.00 0.00 61.69 61.33 2hgu s THR 93 Cb -0.21 -3.68 0.14 0.00 -1.51 0.00 0.00 72.50 67.23 2hgu s THR 93 CO 0.10 0.31 1.35 0.00 -2.21 0.00 0.00 174.62 174.17 2hgu h ALA 94 N 7.11 1.85 0.00 11.08 0.00 -1.94 6.39 119.26 143.75 2hgu h ALA 94 Ca -0.38 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 2hgu h ALA 94 Cb 1.16 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2hgu h ALA 94 CO 0.73 -0.82 -0.84 -0.22 0.00 0.00 0.00 179.25 178.09 2hgu h LYS 95 N 0.00 0.00 -0.39 0.00 3.11 -1.91 0.74 116.57 118.11 2hgu h LYS 95 Ca 0.04 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.91 2hgu h LYS 95 Cb 1.60 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.80 2hgu h LYS 95 CO -0.00 0.84 0.19 -0.44 -2.81 0.00 0.00 179.45 177.23 2hgu h ASP 96 N 0.00 0.28 0.01 4.20 3.32 1.28 -0.52 116.42 124.99 2hgu h ASP 96 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2hgu h ASP 96 Cb 1.53 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 2hgu h ASP 96 CO 0.11 0.20 -0.03 0.40 -1.72 0.00 0.00 179.24 178.20 2hgu h ILE 97 N 0.39 0.00 0.00 0.35 2.04 -0.13 -0.85 117.51 119.31 2hgu h ILE 97 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2hgu h ILE 97 Cb 0.08 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2hgu h ILE 97 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.03 2hgu n ALA 98 N -2.46 0.00 -0.02 1.87 0.00 0.15 -0.87 120.51 119.19 2hgu n ALA 98 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2hgu n ALA 98 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 2hgu n ALA 98 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hgu h GLU 99 N 0.00 0.68 0.27 0.00 -0.00 -1.14 -0.52 114.58 113.88 2hgu h GLU 99 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 2hgu h GLU 99 Cb 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 28.79 2hgu h GLU 99 CO 0.00 1.10 -0.49 0.00 -0.00 0.00 0.00 179.01 179.62 2hgu h ALA 100 N 0.79 -0.98 0.25 1.06 0.00 0.49 -1.00 119.26 119.88 2hgu h ALA 100 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hgu h ALA 100 Cb 1.22 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2hgu h ALA 100 CO 0.13 -1.11 -0.14 1.37 0.00 0.00 0.00 179.25 179.50 2hgu h LEU 101 N -0.83 -0.34 0.00 0.00 -0.00 -1.05 -0.56 115.31 112.53 2hgu h LEU 101 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2hgu h LEU 101 Cb 0.78 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 2hgu h LEU 101 CO -0.19 -0.23 0.00 -0.24 -0.00 0.00 0.00 178.44 177.78 2hgu n SER 102 N -5.26 0.00 -0.75 0.17 2.88 -0.20 -1.14 113.62 109.32 2hgu n SER 102 Ca -0.09 0.24 0.13 0.00 -1.33 0.00 0.00 58.87 57.82 2hgu n SER 102 Cb 0.18 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.91 2hgu n SER 102 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2hgu n ARG 103 N -0.62 2.04 -0.00 -1.46 0.63 -0.41 -1.00 116.66 115.83 2hgu n ARG 103 Ca 0.00 -1.51 0.11 0.00 -0.92 0.00 0.00 57.85 55.53 2hgu n ARG 103 Cb 0.00 -1.47 -0.16 0.00 0.45 0.00 0.00 32.46 31.28 2hgu n ARG 103 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2hgu n GLN 104 N 0.84 0.64 0.00 -0.14 3.00 -0.22 -4.69 117.38 116.82 2hgu n GLN 104 Ca 0.16 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2hgu n GLN 104 Cb 0.50 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.20 2hgu n GLN 104 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2hgu n HIS 105 N -2.28 0.00 0.00 1.08 -0.00 -0.29 -5.02 115.22 108.71 2hgu n HIS 105 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2hgu n HIS 105 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 2hgu n HIS 105 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hgu n GLY 106 N 2.72 0.21 3.84 1.57 0.00 -0.17 -5.04 105.19 108.32 2hgu n GLY 106 Ca 0.00 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2hgu n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgu s VAL 107 N 0.00 4.97 0.27 1.61 1.01 -1.21 -4.66 120.40 122.39 2hgu s VAL 107 Ca 0.00 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2hgu s VAL 107 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2hgu s VAL 107 CO 0.00 0.41 0.18 -0.89 0.00 0.00 0.00 175.10 174.79 2hgu s THR 108 N -1.27 4.06 -0.03 3.92 2.01 -1.26 -2.58 115.64 120.48 2hgu s THR 108 Ca 0.31 -1.50 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 2hgu s THR 108 Cb -0.16 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.12 2hgu s THR 108 CO 0.17 -0.32 0.25 -0.63 -0.69 0.00 0.00 174.62 173.41 2hgu s ILE 109 N -2.21 0.05 0.73 1.82 1.09 -1.26 -4.99 121.20 116.42 2hgu s ILE 109 Ca 0.34 -0.41 -0.15 0.00 -1.10 0.00 0.00 60.65 59.33 2hgu s ILE 109 Cb -0.07 -0.51 0.04 0.00 -1.06 0.00 0.00 42.46 40.86 2hgu s ILE 109 CO 0.24 -0.23 1.20 1.51 -0.10 0.00 0.00 174.94 177.56 2hgu s ASP 110 N -0.97 4.26 0.00 3.58 -4.77 -1.26 -4.77 116.67 112.74 2hgu s ASP 110 Ca -0.10 2.32 0.00 0.00 -3.30 0.00 0.00 52.55 51.47 2hgu s ASP 110 Cb -0.05 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 2hgu s ASP 110 CO 0.03 -2.22 0.44 -0.81 0.70 0.00 0.00 175.17 173.31 2hgu n PRO 111 N -2.72 0.00 0.00 2.11 -0.04 -1.26 -4.41 135.00 128.68 2hgu n PRO 111 Ca 0.13 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2hgu n PRO 111 Cb 0.50 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2hgu n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2hgu n LYS 112 N -0.49 0.00 -1.55 0.54 5.02 -1.26 -4.10 118.16 116.32 2hgu n LYS 112 Ca 0.00 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.78 2hgu n LYS 112 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2hgu n LYS 112 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2hgu n ARG 113 N 0.00 1.40 0.00 1.97 -4.01 -1.26 -4.61 116.66 110.15 2hgu n ARG 113 Ca 0.00 0.44 0.00 0.00 -1.04 0.00 0.00 57.85 57.25 2hgu n ARG 113 Cb 0.00 -2.51 0.00 0.00 -3.04 0.00 0.00 32.46 26.91 2hgu n ARG 113 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2hgu n LEU 114 N 8.65 0.00 -2.73 2.89 4.77 -1.26 -4.73 117.00 124.60 2hgu n LEU 114 Ca 0.34 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 2hgu n LEU 114 Cb 0.25 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2hgu n LEU 114 CO 0.75 0.00 0.26 0.00 -1.33 0.00 0.00 177.39 177.07 2hgu n ALA 115 N -3.00 -2.61 -3.47 -1.18 0.00 -1.20 -4.17 120.51 104.88 2hgu n ALA 115 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 53.44 52.57 2hgu n ALA 115 Cb 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.15 2hgu n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2hgu s LEU 116 N 0.91 0.60 0.01 0.00 1.98 -1.26 -4.84 118.68 116.06 2hgu s LEU 116 Ca 0.28 -1.69 -0.18 0.00 -2.89 0.00 0.00 54.13 49.64 2hgu s LEU 116 Cb 0.05 -0.18 -0.10 0.00 0.66 0.00 0.00 46.19 46.62 2hgu s LEU 116 CO -0.07 -0.35 0.96 -0.33 -1.89 0.00 0.00 176.35 174.67 2hgu h GLU 117 N 7.59 -0.62 -6.75 1.98 3.07 -2.01 -3.44 114.58 114.39 2hgu h GLU 117 Ca -0.04 0.04 -0.69 0.00 -0.50 0.00 0.00 59.36 58.17 2hgu h GLU 117 Cb 1.00 0.14 -0.25 0.00 -0.84 0.00 0.00 28.75 28.80 2hgu h GLU 117 CO 0.32 -0.42 -0.87 0.15 -1.40 0.00 0.00 179.01 176.79 2hgu s LYS 118 N -3.91 1.76 0.82 2.33 3.01 -1.26 -5.09 119.74 117.40 2hgu s LYS 118 Ca -0.09 -1.14 -0.15 0.00 -1.01 0.00 0.00 55.97 53.58 2hgu s LYS 118 Cb 0.01 -1.98 -0.03 0.00 -1.01 0.00 0.00 37.83 34.82 2hgu s LYS 118 CO 0.28 0.51 0.32 -0.35 0.51 0.00 0.00 175.35 176.62 2hgu n PRO 119 N 1.63 0.05 -4.62 -1.68 -0.04 -1.26 -4.91 135.00 124.16 2hgu n PRO 119 Ca -0.17 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 2hgu n PRO 119 Cb 0.52 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 2hgu n PRO 119 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2hgu s ILE 120 N -2.10 3.69 0.00 0.52 1.10 -0.36 -4.85 121.20 119.20 2hgu s ILE 120 Ca 0.59 -0.48 0.00 0.00 -0.51 0.00 0.00 60.65 60.26 2hgu s ILE 120 Cb -0.29 -2.52 0.00 0.00 0.15 0.00 0.00 42.46 39.81 2hgu s ILE 120 CO 0.64 0.59 0.25 0.29 -2.11 0.00 0.00 174.94 174.60 2hgu n LYS 121 N 2.38 -0.32 -0.33 3.50 5.02 -1.26 -0.72 118.16 126.43 2hgu n LYS 121 Ca -0.18 -0.26 0.20 0.00 -2.02 0.00 0.00 58.31 56.05 2hgu n LYS 121 Cb 0.53 -0.71 0.45 0.00 -0.02 0.00 0.00 35.03 35.27 2hgu n LYS 121 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2hgu h GLU 122 N 0.00 0.48 0.00 1.97 4.39 -1.92 0.18 114.58 119.68 2hgu h GLU 122 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2hgu h GLU 122 Cb 0.32 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2hgu h GLU 122 CO 0.00 0.32 0.00 -0.11 -1.16 0.00 0.00 179.01 178.06 2hgu n LEU 123 N -4.71 0.00 0.00 1.33 7.94 -1.20 -3.66 117.00 116.69 2hgu n LEU 123 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2hgu n LEU 123 Cb 0.79 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.74 2hgu n LEU 123 CO 0.23 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2hgu n GLY 124 N -1.13 1.03 0.00 -3.96 0.00 0.29 -4.93 105.19 96.49 2hgu n GLY 124 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2hgu n GLY 124 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hgu n GLU 125 N 0.00 0.00 -3.79 1.61 -0.00 -1.26 -0.38 120.64 116.82 2hgu n GLU 125 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 2hgu n GLU 125 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 31.44 31.36 2hgu n GLU 125 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2hgu s TYR 126 N -2.00 -0.06 -0.20 -1.84 2.02 0.04 -4.95 117.35 110.36 2hgu s TYR 126 Ca 0.00 -0.05 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 2hgu s TYR 126 Cb 0.00 0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.57 2hgu s TYR 126 CO 0.00 -0.45 0.06 0.08 -1.57 0.00 0.00 175.55 173.67 2hgu s VAL 127 N -2.24 4.64 0.40 0.71 1.01 -1.25 -0.68 120.40 122.99 2hgu s VAL 127 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2hgu s VAL 127 Cb -0.02 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2hgu s VAL 127 CO -0.02 0.43 0.02 -0.11 0.00 0.00 0.00 175.10 175.42 2hgu n LEU 128 N 3.87 0.00 -4.26 3.92 0.00 -0.13 -4.80 117.00 115.60 2hgu n LEU 128 Ca -0.16 -2.62 -0.38 0.00 0.00 0.00 0.00 56.01 52.85 2hgu n LEU 128 Cb 0.52 0.39 -0.12 0.00 0.00 0.00 0.00 43.42 44.21 2hgu n LEU 128 CO 0.34 -0.38 -0.21 0.28 0.00 0.00 0.00 177.39 177.42 2hgu s THR 129 N -2.56 3.84 -0.25 1.96 -1.32 -1.26 -1.05 115.64 115.00 2hgu s THR 129 Ca 0.03 -1.27 -0.00 0.00 -1.21 0.00 0.00 61.69 59.23 2hgu s THR 129 Cb 0.00 -3.25 0.07 0.00 -1.51 0.00 0.00 72.50 67.81 2hgu s THR 129 CO 0.02 -0.30 0.00 -0.31 -2.21 0.00 0.00 174.62 171.83 2hgu s TYR 130 N 1.38 2.03 -0.73 9.09 1.51 -0.06 -3.24 117.35 127.33 2hgu s TYR 130 Ca 0.00 -1.62 -0.23 0.00 -1.01 0.00 0.00 57.07 54.21 2hgu s TYR 130 Cb -0.21 -1.57 0.06 0.00 -0.11 0.00 0.00 41.96 40.14 2hgu s TYR 130 CO 0.02 -0.77 1.10 -1.59 -1.11 0.00 0.00 175.55 173.20 2hgu s LYS 131 N 1.52 3.21 0.50 -0.62 0.00 -1.26 -0.95 119.74 122.13 2hgu s LYS 131 Ca -0.01 -0.78 0.20 0.00 0.00 0.00 0.00 55.97 55.39 2hgu s LYS 131 Cb -0.18 -4.35 1.27 0.00 0.00 0.00 0.00 37.83 34.57 2hgu s LYS 131 CO -0.10 -1.93 2.08 -1.00 0.00 0.00 0.00 175.35 174.39 2hgu h PRO 132 N 9.64 0.00 -2.76 1.78 0.13 -1.88 -3.40 132.00 135.51 2hgu h PRO 132 Ca -0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.77 2hgu h PRO 132 Cb 1.06 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 2hgu h PRO 132 CO 1.22 0.11 -0.39 -1.58 -0.23 0.00 0.00 178.00 177.13 2hgu s HIS 133 N -4.61 -0.53 0.00 1.56 2.46 -0.58 -5.08 115.29 108.51 2hgu s HIS 133 Ca -0.04 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.63 2hgu s HIS 133 Cb 0.15 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.78 2hgu s HIS 133 CO 0.64 -0.33 0.00 -0.35 -2.47 0.00 0.00 174.74 172.23 2hgu n PRO 134 N 4.53 0.00 0.00 2.88 -0.04 -1.26 -0.38 135.00 140.72 2hgu n PRO 134 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2hgu n PRO 134 Cb 0.53 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 2hgu n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgu n GLU 135 N 1.02 0.00 -3.75 0.54 4.71 -1.26 -5.00 120.64 116.91 2hgu n GLU 135 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 2hgu n GLU 135 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 31.44 30.29 2hgu n GLU 135 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2hgu s VAL 136 N 0.00 1.21 -0.21 2.62 -7.23 0.48 -5.12 120.40 112.15 2hgu s VAL 136 Ca 0.00 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 2hgu s VAL 136 Cb 0.00 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2hgu s VAL 136 CO 0.00 -0.77 0.21 -2.16 -0.31 0.00 0.00 175.10 172.08 2hgu s PRO 137 N 1.02 4.15 -0.28 4.82 0.04 -1.24 -1.52 135.00 141.98 2hgu s PRO 137 Ca 0.13 -0.12 -0.14 0.00 0.04 0.00 0.00 61.00 60.91 2hgu s PRO 137 Cb -0.21 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2hgu s PRO 137 CO -0.13 0.13 0.31 -1.50 0.04 0.00 0.00 177.00 175.86 2hgu s ILE 138 N 0.85 5.22 0.10 0.56 2.07 -0.13 -4.89 121.20 124.98 2hgu s ILE 138 Ca 0.11 0.36 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 2hgu s ILE 138 Cb -0.13 -3.67 -0.04 0.00 0.13 0.00 0.00 42.46 38.76 2hgu s ILE 138 CO 0.03 0.14 0.21 -1.10 -1.91 0.00 0.00 174.94 172.32 2hgu s GLN 139 N 1.96 3.32 -0.06 3.50 -1.52 -1.26 -0.88 119.66 124.72 2hgu s GLN 139 Ca 0.12 -0.57 -0.29 0.00 -1.95 0.00 0.00 55.36 52.67 2hgu s GLN 139 Cb -0.16 -2.94 0.09 0.00 -0.22 0.00 0.00 33.01 29.79 2hgu s GLN 139 CO 0.11 0.56 0.81 -0.48 -0.25 0.00 0.00 175.29 176.04 2hgu s LEU 140 N -2.80 -0.50 -0.79 2.90 0.05 -0.21 -4.25 118.68 113.07 2hgu s LEU 140 Ca 0.34 0.42 -0.26 0.00 0.05 0.00 0.00 54.13 54.68 2hgu s LEU 140 Cb -0.12 2.23 0.01 0.00 -2.05 0.00 0.00 46.19 46.26 2hgu s LEU 140 CO 0.27 -0.56 1.56 -1.59 -0.55 0.00 0.00 176.35 175.48 2hgu s LYS 141 N -1.75 3.05 -0.36 1.48 -2.85 -1.26 -0.96 119.74 117.09 2hgu s LYS 141 Ca -0.04 -0.23 -0.12 0.00 -1.00 0.00 0.00 55.97 54.58 2hgu s LYS 141 Cb -0.00 -4.62 0.01 0.00 -2.06 0.00 0.00 37.83 31.16 2hgu s LYS 141 CO 0.02 -2.48 0.22 0.08 0.10 0.00 0.00 175.35 173.28 2hgu s VAL 142 N 7.02 4.85 -0.03 1.79 1.01 0.15 -0.87 120.40 134.32 2hgu s VAL 142 Ca 0.50 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2hgu s VAL 142 Cb -0.07 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2hgu s VAL 142 CO 0.09 -0.14 -0.20 -0.94 0.00 0.00 0.00 175.10 173.90 2hgu s SER 143 N 1.62 2.46 0.02 3.32 1.04 0.15 -0.78 113.70 121.53 2hgu s SER 143 Ca 0.04 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.10 2hgu s SER 143 Cb -0.18 -0.43 -0.02 0.00 0.10 0.00 0.00 66.02 65.49 2hgu s SER 143 CO 0.08 0.23 -0.06 0.54 0.98 0.00 0.00 173.24 175.01 2hgu s VAL 144 N -0.32 0.43 0.05 5.02 0.11 0.48 -0.34 120.40 125.84 2hgu s VAL 144 Ca 0.04 -0.75 -0.22 0.00 -2.93 0.00 0.00 61.98 58.12 2hgu s VAL 144 Cb -0.10 -0.46 0.05 0.00 -1.53 0.00 0.00 36.38 34.34 2hgu s VAL 144 CO 0.01 -0.22 0.51 -0.69 -3.33 0.00 0.00 175.10 171.37 2hgu s VAL 145 N -0.93 0.03 -0.29 2.04 1.01 -0.49 -0.55 120.40 121.22 2hgu s VAL 145 Ca -0.06 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2hgu s VAL 145 Cb -0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2hgu s VAL 145 CO 0.00 -0.15 1.94 0.00 0.00 0.00 0.00 175.10 176.89 2hgu s ALA 146 N -2.53 2.82 -2.05 5.51 0.00 -1.26 -1.14 121.76 123.12 2hgu s ALA 146 Ca -0.05 0.45 0.17 0.00 0.00 0.00 0.00 51.96 52.53 2hgu s ALA 146 Cb -0.01 -4.03 0.48 0.00 0.00 0.00 0.00 23.12 19.57 2hgu s ALA 146 CO -0.02 -2.68 1.40 0.00 0.00 0.00 0.00 175.76 174.46 2hgu n GLN 147 N 8.54 2.21 0.00 0.00 -0.00 -0.23 -4.91 117.38 122.99 2hgu n GLN 147 Ca 0.25 -1.87 0.00 0.00 -0.00 0.00 0.00 57.00 55.38 2hgu n GLN 147 Cb 0.46 -1.42 0.00 0.00 -0.00 0.00 0.00 30.24 29.28 2hgu n GLN 147 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21