#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu s GLU 2 N 0.00 0.54 -0.20 2.12 -1.05 0.25 -4.83 118.70 115.53 2hgu s GLU 2 Ca 0.00 -0.62 -0.18 0.00 -0.15 0.00 0.00 54.97 54.02 2hgu s GLU 2 Cb 0.00 0.21 0.05 0.00 -0.44 0.00 0.00 34.13 33.95 2hgu s GLU 2 CO 0.00 -0.13 0.52 0.71 0.95 0.00 0.00 175.26 177.31 2hgu s TYR 3 N -2.13 -0.57 0.00 4.83 1.51 -1.26 -0.53 117.35 119.20 2hgu s TYR 3 Ca -0.09 1.40 0.00 0.00 -1.01 0.00 0.00 57.07 57.37 2hgu s TYR 3 Cb -0.04 0.20 0.00 0.00 -0.11 0.00 0.00 41.96 42.01 2hgu s TYR 3 CO -0.02 -0.28 0.00 -2.13 -1.11 0.00 0.00 175.55 172.01 2hgu n ARG 4 N 2.83 0.00 -4.01 -0.62 0.63 -0.16 -4.76 116.66 110.57 2hgu n ARG 4 Ca -0.14 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.58 2hgu n ARG 4 Cb 0.56 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.31 2hgu n ARG 4 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2hgu s LEU 5 N 0.00 1.06 0.36 6.15 1.43 -0.65 -4.58 118.68 122.46 2hgu s LEU 5 Ca 0.00 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.72 2hgu s LEU 5 Cb 0.00 -0.49 -0.13 0.00 0.03 0.00 0.00 46.19 45.60 2hgu s LEU 5 CO 0.00 -0.11 0.77 1.17 0.23 0.00 0.00 176.35 178.42 2hgu n LYS 6 N 4.51 0.89 -3.08 1.70 0.00 -1.26 -0.66 118.16 120.26 2hgu n LYS 6 Ca -0.17 0.32 -0.44 0.00 0.00 0.00 0.00 58.31 58.02 2hgu n LYS 6 Cb 0.50 -1.66 0.01 0.00 0.00 0.00 0.00 35.03 33.89 2hgu n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hgu n ALA 7 N -0.37 4.88 -0.12 3.14 0.00 -0.29 -4.52 120.51 123.22 2hgu n ALA 7 Ca 0.11 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.81 2hgu n ALA 7 Cb 0.36 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.39 2hgu n ALA 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgu n TYR 8 N 1.90 0.00 -2.10 0.00 4.02 -1.26 -3.63 117.16 116.08 2hgu n TYR 8 Ca 0.26 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.75 2hgu n TYR 8 Cb 0.35 -0.44 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 2hgu n TYR 8 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2hgu s TYR 9 N -2.75 1.82 0.48 -0.72 1.51 -1.26 -4.93 117.35 111.50 2hgu s TYR 9 Ca 0.00 0.68 0.03 0.00 -1.01 0.00 0.00 57.07 56.77 2hgu s TYR 9 Cb 0.00 -4.16 -0.03 0.00 -0.11 0.00 0.00 41.96 37.66 2hgu s TYR 9 CO 0.00 -2.38 0.02 -0.98 -1.11 0.00 0.00 175.55 171.10 2hgu s ARG 10 N 6.42 2.10 0.00 -0.62 1.70 -1.24 -4.74 118.95 122.58 2hgu s ARG 10 Ca 0.67 -2.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.62 2hgu s ARG 10 Cb -0.14 -1.40 0.00 0.00 -0.57 0.00 0.00 34.95 32.83 2hgu s ARG 10 CO 0.24 -0.32 0.00 0.39 -1.08 0.00 0.00 175.30 174.53 2hgu n GLU 11 N -1.15 0.00 0.00 3.89 1.02 -1.26 -4.58 120.64 118.56 2hgu n GLU 11 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2hgu n GLU 11 Cb 0.67 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 2hgu n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgu n GLY 12 N 0.00 -0.01 0.35 0.62 0.00 -1.26 -4.73 105.19 100.16 2hgu n GLY 12 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.26 2hgu n GLY 12 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hgu h GLU 13 N 0.00 0.58 0.00 1.61 4.57 -1.99 -0.93 114.58 118.42 2hgu h GLU 13 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2hgu h GLU 13 Cb 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2hgu h GLU 13 CO 0.00 0.38 0.00 1.63 -1.18 0.00 0.00 179.01 179.84 2hgu n LYS 14 N -4.84 0.00 -0.23 1.92 4.01 -1.26 -1.15 118.16 116.61 2hgu n LYS 14 Ca 0.26 0.30 0.17 0.00 -0.51 0.00 0.00 58.31 58.53 2hgu n LYS 14 Cb 0.73 -1.29 0.32 0.00 -0.51 0.00 0.00 35.03 34.28 2hgu n LYS 14 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2hgu n PRO 15 N -1.38 -0.05 0.36 1.97 -0.02 -0.76 -0.47 135.00 134.65 2hgu n PRO 15 Ca 0.00 0.98 -0.14 0.00 -2.02 0.00 0.00 63.50 62.31 2hgu n PRO 15 Cb 0.00 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 2hgu n PRO 15 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hgu h SER 16 N 0.00 -0.78 -1.02 2.55 4.64 -0.89 -0.64 113.55 117.41 2hgu h SER 16 Ca 0.51 0.03 0.29 0.00 -0.47 0.00 0.00 61.79 62.15 2hgu h SER 16 Cb 1.26 0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.51 2hgu h SER 16 CO -0.57 -0.50 0.73 0.00 -0.87 0.00 0.00 176.83 175.61 2hgu h ALA 17 N -1.46 2.87 -0.32 5.18 0.00 0.78 0.02 119.26 126.32 2hgu h ALA 17 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hgu h ALA 17 Cb 0.70 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2hgu h ALA 17 CO 0.15 -1.17 0.00 1.28 0.00 0.00 0.00 179.25 179.51 2hgu n LEU 18 N -4.28 0.00 -0.31 0.00 4.77 0.09 -1.14 117.00 116.13 2hgu n LEU 18 Ca 0.22 0.95 0.02 0.00 -0.03 0.00 0.00 56.01 57.16 2hgu n LEU 18 Cb 1.05 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.77 2hgu n LEU 18 CO 0.38 -0.45 0.51 0.54 -1.33 0.00 0.00 177.39 177.04 2hgu n ARG 19 N -2.04 -0.14 0.00 3.23 3.00 0.16 -0.48 116.66 120.39 2hgu n ARG 19 Ca 0.00 1.28 0.00 0.00 -0.01 0.00 0.00 57.85 59.12 2hgu n ARG 19 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 30.55 2hgu n ARG 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2hgu n ARG 20 N -5.28 0.00 -0.26 5.56 0.63 -0.39 -0.54 116.66 116.39 2hgu n ARG 20 Ca 0.11 0.65 0.04 0.00 -0.92 0.00 0.00 57.85 57.72 2hgu n ARG 20 Cb 0.37 -1.11 0.13 0.00 0.45 0.00 0.00 32.46 32.30 2hgu n ARG 20 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgu h ALA 21 N -1.50 0.67 0.00 5.13 0.00 0.78 -3.43 119.26 120.91 2hgu h ALA 21 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2hgu h ALA 21 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2hgu h ALA 21 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.23 2hgu n GLY 22 N -1.45 0.50 2.89 0.00 0.00 0.30 -5.09 105.19 102.34 2hgu n GLY 22 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2hgu n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgu s LYS 23 N 0.00 0.96 -0.05 1.61 2.20 -0.68 -1.44 119.74 122.34 2hgu s LYS 23 Ca 0.00 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.51 2hgu s LYS 23 Cb 0.00 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.30 2hgu s LYS 23 CO 0.00 -0.12 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.25 2hgu s LEU 24 N 1.11 2.92 0.40 5.43 1.43 0.04 0.39 118.68 130.40 2hgu s LEU 24 Ca -0.08 -0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 2hgu s LEU 24 Cb -0.14 -1.62 -0.12 0.00 0.03 0.00 0.00 46.19 44.34 2hgu s LEU 24 CO -0.01 0.35 0.84 -0.81 0.23 0.00 0.00 176.35 176.95 2hgu n PRO 25 N 2.22 1.04 -3.77 1.29 -0.04 -1.26 -1.45 135.00 133.02 2hgu n PRO 25 Ca -0.17 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2hgu n PRO 25 Cb 0.52 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 2hgu n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2hgu s GLY 26 N -0.81 -0.10 -0.07 0.55 0.00 -0.39 -0.73 107.32 105.78 2hgu s GLY 26 Ca 0.63 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 45.37 2hgu s GLY 26 CO 0.57 -0.24 -0.22 0.14 0.00 0.00 0.00 173.10 173.35 2hgu s VAL 27 N -2.54 2.30 -0.29 1.40 1.01 -0.32 -1.00 120.40 120.95 2hgu s VAL 27 Ca -0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 2hgu s VAL 27 Cb -0.01 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 2hgu s VAL 27 CO -0.03 0.57 0.11 -0.32 0.00 0.00 0.00 175.10 175.43 2hgu s MET 28 N -0.14 3.30 -0.03 2.72 1.75 -0.29 -1.03 119.30 125.58 2hgu s MET 28 Ca -0.04 -0.73 0.06 0.00 -1.25 0.00 0.00 55.69 53.73 2hgu s MET 28 Cb -0.14 -3.45 -0.01 0.00 2.84 0.00 0.00 34.83 34.07 2hgu s MET 28 CO 0.04 -0.39 -0.20 0.71 -0.65 0.00 0.00 175.02 174.53 2hgu s TYR 29 N 1.57 1.82 0.11 4.11 1.51 0.15 -1.03 117.35 125.59 2hgu s TYR 29 Ca 0.04 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 2hgu s TYR 29 Cb -0.17 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2hgu s TYR 29 CO 0.04 -0.09 0.17 1.21 -1.11 0.00 0.00 175.55 175.78 2hgu s ASN 30 N -0.29 0.17 -0.11 2.29 3.84 -0.21 -1.16 114.94 119.47 2hgu s ASN 30 Ca 0.03 -0.83 -0.29 0.00 0.21 0.00 0.00 52.86 51.98 2hgu s ASN 30 Cb -0.09 0.34 -0.14 0.00 -0.55 0.00 0.00 41.25 40.81 2hgu s ASN 30 CO 0.00 -0.76 0.86 0.54 -2.79 0.00 0.00 177.10 174.95 2hgu n ARG 31 N -0.09 0.00 -1.02 0.43 1.74 -1.26 -0.60 116.66 115.87 2hgu n ARG 31 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2hgu n ARG 31 Cb 0.63 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 2hgu n ARG 31 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2hgu n HIS 32 N 1.58 -0.52 -4.08 -1.55 8.25 -1.26 -4.81 115.22 112.83 2hgu n HIS 32 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.32 2hgu n HIS 32 Cb 0.02 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 30.71 2hgu n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hgu s LEU 33 N -1.30 1.69 0.04 2.41 1.43 0.24 -5.12 118.68 118.06 2hgu s LEU 33 Ca 0.00 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2hgu s LEU 33 Cb 0.00 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2hgu s LEU 33 CO 0.00 -0.05 0.17 0.21 0.23 0.00 0.00 176.35 176.92 2hgu s ASN 34 N 1.42 0.06 -0.08 2.29 3.84 -1.26 -1.05 114.94 120.17 2hgu s ASN 34 Ca 0.03 -0.40 -0.04 0.00 0.21 0.00 0.00 52.86 52.67 2hgu s ASN 34 Cb -0.13 0.27 0.04 0.00 -0.55 0.00 0.00 41.25 40.89 2hgu s ASN 34 CO -0.10 -0.54 0.19 -0.60 -2.79 0.00 0.00 177.10 173.26 2hgu s ARG 35 N -2.55 0.13 -0.75 0.43 3.52 -0.20 -4.98 118.95 114.55 2hgu s ARG 35 Ca -0.05 0.47 -0.27 0.00 -0.13 0.00 0.00 55.73 55.75 2hgu s ARG 35 Cb -0.01 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2hgu s ARG 35 CO -0.04 -0.19 1.40 0.15 -0.81 0.00 0.00 175.30 175.82 2hgu s LYS 36 N 1.39 3.12 0.22 5.12 1.02 -1.26 -1.14 119.74 128.22 2hgu s LYS 36 Ca -0.07 -0.18 0.11 0.00 0.02 0.00 0.00 55.97 55.84 2hgu s LYS 36 Cb -0.11 -4.34 -0.04 0.00 -0.52 0.00 0.00 37.83 32.82 2hgu s LYS 36 CO -0.07 -2.27 -0.17 0.08 -0.92 0.00 0.00 175.35 172.00 2hgu s VAL 37 N 6.30 2.72 -0.06 3.17 1.01 -0.17 -1.14 120.40 132.22 2hgu s VAL 37 Ca 0.42 -2.02 0.06 0.00 0.00 0.00 0.00 61.98 60.44 2hgu s VAL 37 Cb -0.08 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2hgu s VAL 37 CO 0.13 -0.21 -0.24 -0.31 0.00 0.00 0.00 175.10 174.47 2hgu s TYR 38 N -1.96 2.35 -0.42 5.22 4.12 0.16 -1.26 117.35 125.57 2hgu s TYR 38 Ca 0.25 -0.72 -0.28 0.00 0.02 0.00 0.00 57.07 56.34 2hgu s TYR 38 Cb -0.07 -1.55 0.00 0.00 -1.52 0.00 0.00 41.96 38.82 2hgu s TYR 38 CO 0.14 -0.23 1.53 0.08 0.02 0.00 0.00 175.55 177.09 2hgu s VAL 39 N -0.10 3.76 -0.32 0.71 1.01 -0.53 -1.63 120.40 123.29 2hgu s VAL 39 Ca -0.05 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 2hgu s VAL 39 Cb -0.14 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2hgu s VAL 39 CO 0.04 -0.73 0.91 -0.62 0.00 0.00 0.00 175.10 174.69 2hgu s ASP 40 N 4.71 6.75 0.00 3.32 -1.08 -1.26 -0.78 116.67 128.33 2hgu s ASP 40 Ca 0.65 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 53.43 2hgu s ASP 40 Cb -0.15 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 2hgu s ASP 40 CO 0.31 -0.75 0.47 0.18 0.52 0.00 0.00 175.17 175.90 2hgu n LEU 41 N 6.53 0.00 0.00 -1.34 4.77 -0.52 -1.37 117.00 125.08 2hgu n LEU 41 Ca 0.07 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2hgu n LEU 41 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2hgu n LEU 41 CO 0.55 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.13 2hgu n VAL 42 N -0.53 0.00 -0.01 4.08 0.31 -1.26 0.29 118.33 121.20 2hgu n VAL 42 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2hgu n VAL 42 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2hgu n VAL 42 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2hgu h GLU 43 N 0.00 0.03 -0.67 5.55 -0.00 -1.98 -1.51 114.58 116.00 2hgu h GLU 43 Ca 0.00 -0.01 0.22 0.00 -0.00 0.00 0.00 59.36 59.57 2hgu h GLU 43 Cb 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 28.63 2hgu h GLU 43 CO 0.00 0.44 0.15 1.19 -0.00 0.00 0.00 179.01 180.79 2hgu n PHE 44 N -4.87 0.57 0.00 2.06 3.01 0.82 0.13 117.46 119.19 2hgu n PHE 44 Ca -0.08 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.19 2hgu n PHE 44 Cb 0.22 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 2hgu n PHE 44 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2hgu n ASP 45 N -4.75 0.00 -0.10 4.37 8.00 0.17 -1.02 116.55 123.21 2hgu n ASP 45 Ca 0.20 0.65 0.01 0.00 0.71 0.00 0.00 54.79 56.35 2hgu n ASP 45 Cb 0.66 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.51 2hgu n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2hgu n LYS 46 N -1.34 -0.04 0.00 -1.24 5.02 0.36 -0.19 118.16 120.72 2hgu n LYS 46 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2hgu n LYS 46 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 2hgu n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2hgu n VAL 47 N -4.44 0.00 -0.33 -0.18 0.31 -0.08 -1.47 118.33 112.13 2hgu n VAL 47 Ca 0.04 1.50 0.06 0.00 -0.01 0.00 0.00 64.34 65.93 2hgu n VAL 47 Cb 0.13 -2.41 0.13 0.00 -0.91 0.00 0.00 33.84 30.78 2hgu n VAL 47 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2hgu n PHE 48 N -2.18 0.34 -0.35 3.52 3.01 0.73 0.88 117.46 123.40 2hgu n PHE 48 Ca 0.00 1.13 -0.09 0.00 1.01 0.00 0.00 57.45 59.50 2hgu n PHE 48 Cb 0.00 -1.04 -0.07 0.00 -0.01 0.00 0.00 39.48 38.36 2hgu n PHE 48 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2hgu n ARG 49 N -5.50 -0.36 -0.03 -1.08 3.00 0.43 0.21 116.66 113.33 2hgu n ARG 49 Ca 0.15 1.29 0.15 0.00 -0.01 0.00 0.00 57.85 59.42 2hgu n ARG 49 Cb 0.47 -1.89 0.23 0.00 0.00 0.00 0.00 32.46 31.26 2hgu n ARG 49 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2hgu n GLN 50 N -5.08 0.02 0.00 5.56 -0.06 0.25 -4.54 117.38 113.53 2hgu n GLN 50 Ca 0.02 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.81 2hgu n GLN 50 Cb 0.23 -2.01 0.00 0.00 -4.06 0.00 0.00 30.24 24.40 2hgu n GLN 50 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2hgu n ALA 51 N -1.79 0.00 -0.28 1.69 0.00 0.56 -3.43 120.51 117.25 2hgu n ALA 51 Ca 0.12 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.83 2hgu n ALA 51 Cb 1.07 0.00 0.62 0.00 0.00 0.00 0.00 19.45 21.14 2hgu n ALA 51 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2hgu h SER 52 N 0.00 0.23 -1.41 0.00 0.02 -1.80 1.81 113.55 112.40 2hgu h SER 52 Ca 0.00 0.04 -0.73 0.00 -0.84 0.00 0.00 61.79 60.26 2hgu h SER 52 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2hgu h SER 52 CO 0.00 0.05 1.96 -0.38 -1.14 0.00 0.00 176.83 177.32 2hgu n ILE 53 N -4.42 4.14 0.00 3.27 5.41 -1.22 -0.83 119.36 125.72 2hgu n ILE 53 Ca 0.23 -4.30 0.00 0.00 1.00 0.00 0.00 62.75 59.69 2hgu n ILE 53 Cb 0.98 -2.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 2hgu n ILE 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2hgu n HIS 54 N 5.41 0.00 -0.01 1.39 8.25 0.60 -4.37 115.22 126.49 2hgu n HIS 54 Ca 0.42 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.93 2hgu n HIS 54 Cb 0.40 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 2hgu n HIS 54 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2hgu n HIS 55 N 0.00 0.00 -3.68 4.41 8.25 -0.45 -4.72 115.22 119.02 2hgu n HIS 55 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2hgu n HIS 55 Cb 0.00 -0.35 -0.17 0.00 1.12 0.00 0.00 29.99 30.59 2hgu n HIS 55 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2hgu s VAL 56 N -2.88 0.24 0.14 1.59 1.01 -0.01 -4.36 120.40 116.13 2hgu s VAL 56 Ca -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2hgu s VAL 56 Cb 0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2hgu s VAL 56 CO 0.57 -0.19 -0.20 -0.38 0.00 0.00 0.00 175.10 174.90 2hgu n ILE 57 N 5.16 0.00 -3.94 2.22 5.41 -1.26 -4.40 119.36 122.55 2hgu n ILE 57 Ca -0.08 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.58 2hgu n ILE 57 Cb 0.48 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.38 2hgu n ILE 57 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2hgu s VAL 58 N -0.31 0.00 -0.19 1.39 -7.23 -0.12 -4.92 120.40 109.02 2hgu s VAL 58 Ca 0.05 -1.25 -0.19 0.00 -1.81 0.00 0.00 61.98 58.77 2hgu s VAL 58 Cb 0.01 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 2hgu s VAL 58 CO 0.08 0.00 0.56 -0.22 -0.31 0.00 0.00 175.10 175.21 2hgu s LEU 59 N -3.02 4.16 -0.12 1.32 0.20 -1.26 -1.31 118.68 118.65 2hgu s LEU 59 Ca 0.19 0.75 -0.13 0.00 0.69 0.00 0.00 54.13 55.62 2hgu s LEU 59 Cb -0.03 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.91 2hgu s LEU 59 CO 0.10 -0.20 0.31 -1.61 -0.29 0.00 0.00 176.35 174.66 2hgu s GLU 60 N 1.65 4.08 -0.40 1.98 8.01 0.19 -0.58 118.70 133.62 2hgu s GLU 60 Ca 0.26 0.16 -0.04 0.00 0.01 0.00 0.00 54.97 55.36 2hgu s GLU 60 Cb -0.16 -3.35 0.10 0.00 -4.31 0.00 0.00 34.13 26.41 2hgu s GLU 60 CO 0.10 0.40 0.19 -0.51 0.01 0.00 0.00 175.26 175.46 2hgu s LEU 61 N -0.06 5.11 -0.13 1.80 1.43 0.31 -1.30 118.68 125.84 2hgu s LEU 61 Ca 0.18 -1.89 0.02 0.00 -1.03 0.00 0.00 54.13 51.41 2hgu s LEU 61 Cb -0.14 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2hgu s LEU 61 CO 0.06 -0.52 -0.17 -2.84 0.23 0.00 0.00 176.35 173.11 2hgu s PRO 62 N 1.19 2.51 1.63 1.29 0.02 -1.26 -0.99 135.00 139.39 2hgu s PRO 62 Ca 0.06 -0.66 0.00 0.00 0.02 0.00 0.00 61.00 60.42 2hgu s PRO 62 Cb -0.23 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.17 2hgu s PRO 62 CO -0.03 -0.09 0.00 -3.47 -0.33 0.00 0.00 177.00 173.08 2hgu n ASP 63 N 4.29 0.00 -0.61 2.53 -0.08 -1.26 -1.05 116.55 120.38 2hgu n ASP 63 Ca -0.19 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.09 2hgu n ASP 63 Cb 0.51 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.97 2hgu n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hgu n GLY 64 N 0.00 0.74 2.83 0.27 0.00 -1.26 -5.04 105.19 102.73 2hgu n GLY 64 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2hgu n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgu n GLN 65 N 0.04 3.96 -1.54 1.61 1.13 -0.21 -4.98 117.38 117.39 2hgu n GLN 65 Ca -0.01 -3.75 -0.14 0.00 -1.94 0.00 0.00 57.00 51.16 2hgu n GLN 65 Cb 0.65 -2.80 -0.09 0.00 0.11 0.00 0.00 30.24 28.11 2hgu n GLN 65 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2hgu n SER 66 N 2.99 1.24 -4.65 1.08 2.88 -1.17 -4.38 113.62 111.61 2hgu n SER 66 Ca 0.40 -1.69 -0.28 0.00 -1.33 0.00 0.00 58.87 55.97 2hgu n SER 66 Cb 0.34 -1.55 -0.10 0.00 -0.75 0.00 0.00 64.21 62.15 2hgu n SER 66 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2hgu s LEU 67 N 13.80 2.83 -0.26 2.46 1.43 -0.42 -4.85 118.68 133.67 2hgu s LEU 67 Ca 0.90 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 2hgu s LEU 67 Cb -0.16 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2hgu s LEU 67 CO 0.15 -0.52 0.42 -2.16 0.23 0.00 0.00 176.35 174.47 2hgu s PRO 68 N -3.76 4.05 0.01 1.29 0.04 -1.26 -0.64 135.00 134.73 2hgu s PRO 68 Ca 0.32 0.14 -0.08 0.00 0.04 0.00 0.00 61.00 61.42 2hgu s PRO 68 Cb 0.08 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2hgu s PRO 68 CO 0.17 -0.27 0.15 -0.08 0.04 0.00 0.00 177.00 177.00 2hgu s THR 69 N 2.06 0.09 0.42 1.26 -1.32 -0.43 -1.10 115.64 116.63 2hgu s THR 69 Ca 0.17 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 2hgu s THR 69 Cb -0.16 -0.56 -0.01 0.00 -1.51 0.00 0.00 72.50 70.27 2hgu s THR 69 CO 0.09 -0.42 0.11 0.00 -2.21 0.00 0.00 174.62 172.20 2hgu n LEU 70 N 1.26 0.00 -4.51 9.08 -0.00 -0.35 -0.94 117.00 121.54 2hgu n LEU 70 Ca -0.22 -3.09 -0.33 0.00 -0.00 0.00 0.00 56.01 52.37 2hgu n LEU 70 Cb 0.56 0.88 -0.12 0.00 -0.00 0.00 0.00 43.42 44.74 2hgu n LEU 70 CO 0.21 -0.47 -0.40 -0.69 -0.00 0.00 0.00 177.39 176.04 2hgu s VAL 71 N -3.01 3.48 -0.08 1.47 1.01 -1.26 -0.90 120.40 121.11 2hgu s VAL 71 Ca 0.16 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.64 2hgu s VAL 71 Cb 0.01 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 2hgu s VAL 71 CO 0.11 0.57 -0.01 -2.11 0.00 0.00 0.00 175.10 173.66 2hgu n ARG 72 N 2.68 1.91 -4.19 2.72 1.85 -0.26 -4.97 116.66 116.40 2hgu n ARG 72 Ca -0.18 0.02 -0.11 0.00 -1.00 0.00 0.00 57.85 56.58 2hgu n ARG 72 Cb 0.53 -1.19 -0.10 0.00 -1.05 0.00 0.00 32.46 30.64 2hgu n ARG 72 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2hgu s GLN 73 N -2.19 0.98 -0.30 2.89 -0.21 -1.23 -5.03 119.66 114.57 2hgu s GLN 73 Ca -0.07 -1.46 -0.10 0.00 0.02 0.00 0.00 55.36 53.76 2hgu s GLN 73 Cb 0.03 -0.06 0.18 0.00 1.00 0.00 0.00 33.01 34.16 2hgu s GLN 73 CO 0.28 -0.16 0.97 0.08 -2.12 0.00 0.00 175.29 174.34 2hgu s VAL 74 N -3.80 -0.43 -0.51 1.09 1.01 -1.25 -0.75 120.40 115.76 2hgu s VAL 74 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2hgu s VAL 74 Cb 0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2hgu s VAL 74 CO 0.01 0.00 1.75 0.20 0.00 0.00 0.00 175.10 177.06 2hgu s ASN 75 N 2.94 5.64 -0.02 3.32 0.01 0.19 -4.87 114.94 122.15 2hgu s ASN 75 Ca 0.09 0.63 -0.14 0.00 -0.71 0.00 0.00 52.86 52.73 2hgu s ASN 75 Cb -0.09 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 2hgu s ASN 75 CO -0.16 -2.03 0.37 -0.76 -1.51 0.00 0.00 177.10 173.01 2hgu s LEU 76 N 7.77 4.45 -0.82 0.60 1.43 -1.26 0.22 118.68 131.07 2hgu s LEU 76 Ca 0.68 0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 54.44 2hgu s LEU 76 Cb -0.15 -2.50 -0.19 0.00 0.03 0.00 0.00 46.19 43.37 2hgu s LEU 76 CO 0.26 0.32 2.37 -0.67 0.23 0.00 0.00 176.35 178.86 2hgu n ASP 77 N 1.94 0.85 0.00 2.29 2.03 0.28 -4.71 116.55 119.22 2hgu n ASP 77 Ca -0.15 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2hgu n ASP 77 Cb 0.53 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 2hgu n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2hgu n LYS 78 N 7.90 0.00 0.00 -0.67 2.85 -1.26 -1.11 118.16 125.87 2hgu n LYS 78 Ca 0.53 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.93 2hgu n LYS 78 Cb 0.33 -0.30 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 2hgu n LYS 78 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hgu n ARG 79 N -0.56 0.00 0.00 -1.58 5.12 -1.26 -4.59 116.66 113.78 2hgu n ARG 79 Ca 0.00 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2hgu n ARG 79 Cb 0.00 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2hgu n ARG 79 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hgu n ARG 80 N -0.90 0.00 -0.19 5.56 3.00 -0.26 -5.16 116.66 118.71 2hgu n ARG 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgu n ARG 80 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 2hgu n ARG 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hgu n ARG 81 N 0.00 0.57 -1.79 5.56 1.74 -1.23 -4.87 116.66 116.64 2hgu n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgu n ARG 81 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hgu n ARG 81 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2hgu n ARG 82 N 0.00 -5.00 -0.24 5.56 0.63 -1.26 -4.15 116.66 112.19 2hgu n ARG 82 Ca 0.00 3.60 -0.01 0.00 -0.92 0.00 0.00 57.85 60.52 2hgu n ARG 82 Cb 0.00 -3.96 0.01 0.00 0.45 0.00 0.00 32.46 28.96 2hgu n ARG 82 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2hgu n PRO 83 N 0.58 0.11 -0.00 -0.14 -0.04 -1.26 -0.56 135.00 133.69 2hgu n PRO 83 Ca 0.00 -0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 2hgu n PRO 83 Cb 0.00 -0.05 -0.02 0.00 -0.04 0.00 0.00 33.50 33.39 2hgu n PRO 83 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgu n GLU 84 N -1.11 2.66 -3.64 0.54 1.02 0.59 -4.45 120.64 116.25 2hgu n GLU 84 Ca 0.01 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 2hgu n GLU 84 Cb 0.02 -0.89 -0.07 0.00 -0.02 0.00 0.00 31.44 30.49 2hgu n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2hgu s HIS 85 N -1.82 -0.74 -0.11 -0.32 5.04 -0.38 -4.21 115.29 112.75 2hgu s HIS 85 Ca -0.00 1.47 -0.04 0.00 -1.54 0.00 0.00 55.06 54.95 2hgu s HIS 85 Cb 0.02 0.44 -0.04 0.00 0.04 0.00 0.00 32.58 33.05 2hgu s HIS 85 CO 0.13 -0.36 0.04 0.08 -2.34 0.00 0.00 174.74 172.29 2hgu s VAL 86 N 1.46 4.63 -0.12 0.89 1.01 0.09 -0.63 120.40 127.73 2hgu s VAL 86 Ca -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2hgu s VAL 86 Cb -0.04 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2hgu s VAL 86 CO -0.17 0.58 -0.13 -1.81 0.00 0.00 0.00 175.10 173.58 2hgu s ASP 87 N -0.68 2.38 0.27 3.32 -0.00 0.07 -1.18 116.67 120.85 2hgu s ASP 87 Ca 0.11 -0.40 0.12 0.00 -0.00 0.00 0.00 52.55 52.38 2hgu s ASP 87 Cb -0.12 -1.03 -0.05 0.00 -0.00 0.00 0.00 42.92 41.73 2hgu s ASP 87 CO 0.02 -0.03 -0.18 -0.36 -0.00 0.00 0.00 175.17 174.62 2hgu s PHE 88 N 1.26 2.34 -0.03 4.23 0.40 -0.19 -1.10 117.98 124.89 2hgu s PHE 88 Ca -0.02 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 2hgu s PHE 88 Cb -0.14 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.37 2hgu s PHE 88 CO -0.05 0.69 -0.11 0.12 0.70 0.00 0.00 175.22 176.58 2hgu s PHE 89 N -2.44 1.11 -0.16 0.36 5.99 -0.08 -0.67 117.98 122.10 2hgu s PHE 89 Ca 0.30 -0.29 -0.08 0.00 0.00 0.00 0.00 56.93 56.86 2hgu s PHE 89 Cb -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 43.02 42.14 2hgu s PHE 89 CO 0.15 -0.12 0.10 0.14 -0.00 0.00 0.00 175.22 175.50 2hgu s VAL 90 N 0.17 5.17 0.46 3.12 -7.23 -0.30 -1.21 120.40 120.58 2hgu s VAL 90 Ca -0.03 0.09 0.07 0.00 -1.81 0.00 0.00 61.98 60.30 2hgu s VAL 90 Cb -0.09 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.55 2hgu s VAL 90 CO 0.01 0.52 0.41 -0.76 -0.31 0.00 0.00 175.10 174.97 2hgu s LEU 91 N -0.21 3.21 0.00 1.32 2.01 -0.26 -4.68 118.68 120.07 2hgu s LEU 91 Ca 0.09 -0.88 0.00 0.00 0.01 0.00 0.00 54.13 53.36 2hgu s LEU 91 Cb -0.12 -1.81 0.00 0.00 0.01 0.00 0.00 46.19 44.27 2hgu s LEU 91 CO 0.01 -0.81 0.00 -1.54 1.01 0.00 0.00 176.35 175.02 2hgu n SER 92 N -1.65 0.00 -4.29 2.29 3.41 -1.26 -4.80 113.62 107.32 2hgu n SER 92 Ca 0.03 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.19 2hgu n SER 92 Cb 0.62 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2hgu n SER 92 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2hgu s ASP 93 N 1.00 6.15 0.00 4.04 1.11 -1.26 -4.41 116.67 123.29 2hgu s ASP 93 Ca 0.00 -1.87 0.00 0.00 0.18 0.00 0.00 52.55 50.86 2hgu s ASP 93 Cb 0.00 -2.18 0.00 0.00 1.07 0.00 0.00 42.92 41.81 2hgu s ASP 93 CO 0.00 -0.81 0.00 1.21 1.18 0.00 0.00 175.17 176.75 2hgu n GLU 94 N 5.11 0.00 -1.48 8.23 2.13 -1.26 -5.02 120.64 128.35 2hgu n GLU 94 Ca -0.11 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.38 2hgu n GLU 94 Cb 0.41 0.00 -0.18 0.00 0.27 0.00 0.00 31.44 31.94 2hgu n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2hgu n PRO 95 N 0.00 0.00 -0.04 5.31 -0.02 -1.26 -4.59 135.00 134.40 2hgu n PRO 95 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 2hgu n PRO 95 Cb 0.00 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 2hgu n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hgu h VAL 96 N 7.49 0.00 -0.04 -1.45 2.07 -1.87 -0.62 116.25 121.83 2hgu h VAL 96 Ca -0.01 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 2hgu h VAL 96 Cb 1.22 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2hgu h VAL 96 CO 1.46 0.00 0.53 1.21 0.02 0.00 0.00 177.57 180.79 2hgu n GLU 97 N -3.78 0.04 -3.62 1.57 2.13 -1.26 -3.46 120.64 112.26 2hgu n GLU 97 Ca -0.03 -0.92 -0.40 0.00 0.66 0.00 0.00 57.16 56.46 2hgu n GLU 97 Cb 0.13 -2.57 -0.11 0.00 0.27 0.00 0.00 31.44 29.16 2hgu n GLU 97 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 2hgu s MET 98 N 6.76 2.79 -1.02 5.31 1.75 -0.12 -4.97 119.30 129.80 2hgu s MET 98 Ca 0.47 -1.10 -0.05 0.00 -1.25 0.00 0.00 55.69 53.75 2hgu s MET 98 Cb -0.01 -3.69 0.26 0.00 2.84 0.00 0.00 34.83 34.24 2hgu s MET 98 CO 0.13 -0.70 1.06 0.98 -0.65 0.00 0.00 175.02 175.84 2hgu n TYR 99 N 4.97 4.38 -2.58 4.11 9.36 -1.23 -0.55 117.16 135.61 2hgu n TYR 99 Ca -0.12 -3.78 -0.42 0.00 3.32 0.00 0.00 57.90 56.90 2hgu n TYR 99 Cb 0.46 -1.40 -0.03 0.00 -0.63 0.00 0.00 39.34 37.74 2hgu n TYR 99 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2hgu s VAL 100 N -1.63 4.50 0.18 2.97 -7.23 -0.02 -4.56 120.40 114.61 2hgu s VAL 100 Ca 0.30 1.80 -0.32 0.00 -1.81 0.00 0.00 61.98 61.95 2hgu s VAL 100 Cb -0.05 -4.15 -0.11 0.00 0.56 0.00 0.00 36.38 32.62 2hgu s VAL 100 CO -0.06 0.14 1.72 -2.84 -0.31 0.00 0.00 175.10 173.75 2hgu s PRO 101 N 1.02 4.14 -0.20 4.82 0.02 -1.26 -1.18 135.00 142.36 2hgu s PRO 101 Ca 0.55 2.56 0.01 0.00 0.02 0.00 0.00 61.00 64.14 2hgu s PRO 101 Cb -0.25 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.10 2hgu s PRO 101 CO 0.29 -0.75 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.53 2hgu s LEU 102 N 1.48 2.40 0.22 -5.54 2.01 -0.04 -0.88 118.68 118.34 2hgu s LEU 102 Ca 0.75 -0.72 0.08 0.00 0.01 0.00 0.00 54.13 54.25 2hgu s LEU 102 Cb -0.48 -1.52 -0.04 0.00 0.01 0.00 0.00 46.19 44.16 2hgu s LEU 102 CO 0.33 -0.03 0.05 -0.13 1.01 0.00 0.00 176.35 177.57 2hgu s ARG 103 N 1.29 2.50 0.36 1.70 1.81 -0.22 -4.46 118.95 121.93 2hgu s ARG 103 Ca 0.03 -1.19 -0.17 0.00 -1.72 0.00 0.00 55.73 52.68 2hgu s ARG 103 Cb -0.14 -2.35 0.06 0.00 -0.45 0.00 0.00 34.95 32.07 2hgu s ARG 103 CO -0.11 0.41 0.81 -0.59 -0.68 0.00 0.00 175.30 175.14 2hgu s PHE 104 N -2.03 0.10 -0.18 -0.53 -0.00 -1.26 -1.09 117.98 112.99 2hgu s PHE 104 Ca 0.30 -0.75 -0.07 0.00 -0.00 0.00 0.00 56.93 56.42 2hgu s PHE 104 Cb -0.08 0.82 0.08 0.00 -0.00 0.00 0.00 43.02 43.85 2hgu s PHE 104 CO 0.21 -1.50 0.40 0.08 -0.00 0.00 0.00 175.22 174.40 2hgu s VAL 105 N -2.37 -0.50 -0.45 -2.49 1.01 -0.23 -4.95 120.40 110.43 2hgu s VAL 105 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2hgu s VAL 105 Cb -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2hgu s VAL 105 CO 0.11 0.07 0.70 0.61 0.00 0.00 0.00 175.10 176.59 2hgu n GLY 106 N 5.16 1.61 2.56 4.51 0.00 -1.26 -1.27 105.19 116.49 2hgu n GLY 106 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2hgu n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgu n THR 107 N 0.32 -2.16 0.00 2.61 -1.04 -1.26 -3.14 114.28 109.61 2hgu n THR 107 Ca 0.00 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2hgu n THR 107 Cb 0.35 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 2hgu n THR 107 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2hgu n PRO 108 N 0.26 0.00 -0.53 -2.82 -0.02 -1.26 -4.22 135.00 126.41 2hgu n PRO 108 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2hgu n PRO 108 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2hgu n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgu n ALA 109 N 0.00 2.03 -0.91 3.55 0.00 -1.19 -4.92 120.51 119.07 2hgu n ALA 109 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2hgu n ALA 109 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2hgu n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 110 N 0.01 0.15 0.00 0.00 0.00 -1.24 -3.27 105.19 100.84 2hgu n GLY 110 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgu n GLY 110 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgu n VAL 111 N -1.20 0.00 0.08 1.61 0.31 -0.72 0.13 118.33 118.55 2hgu n VAL 111 Ca 0.00 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 2hgu n VAL 111 Cb 0.00 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.80 2hgu n VAL 111 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgu n ARG 112 N -1.74 0.25 0.06 5.55 0.63 -1.26 -0.27 116.66 119.87 2hgu n ARG 112 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgu n ARG 112 Cb 0.00 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.53 2hgu n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgu n ALA 113 N 1.32 3.00 -1.26 5.13 0.00 0.16 -4.91 120.51 123.95 2hgu n ALA 113 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2hgu n ALA 113 Cb 0.12 0.09 0.08 0.00 0.00 0.00 0.00 19.45 19.74 2hgu n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 114 N 2.58 3.15 4.12 0.00 0.00 0.36 -4.90 105.19 110.50 2hgu n GLY 114 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2hgu n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 115 N -0.89 1.58 2.89 -0.02 0.00 0.62 -4.15 105.19 105.23 2hgu n GLY 115 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2hgu n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgu n VAL 116 N 0.00 0.00 -4.17 1.61 0.24 -1.26 -4.48 118.33 110.27 2hgu n VAL 116 Ca 0.00 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 2hgu n VAL 116 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 2hgu n VAL 116 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2hgu s LEU 117 N 7.72 1.05 -0.23 1.34 1.43 -0.22 -1.75 118.68 128.01 2hgu s LEU 117 Ca 0.37 -1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.04 2hgu s LEU 117 Cb -0.05 0.57 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 2hgu s LEU 117 CO 0.73 -0.88 0.15 -1.58 0.23 0.00 0.00 176.35 175.00 2hgu s GLN 118 N -4.14 4.04 -0.30 1.70 2.00 -1.26 -1.37 119.66 120.33 2hgu s GLN 118 Ca 0.37 -0.29 -0.06 0.00 -2.00 0.00 0.00 55.36 53.38 2hgu s GLN 118 Cb 0.06 -3.50 0.02 0.00 0.80 0.00 0.00 33.01 30.39 2hgu s GLN 118 CO 0.11 0.07 0.07 -1.83 -0.50 0.00 0.00 175.29 173.21 2hgu s GLU 119 N 1.02 2.93 -0.35 1.67 -1.05 -0.06 -5.01 118.70 117.85 2hgu s GLU 119 Ca 0.07 -0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 2hgu s GLU 119 Cb -0.13 -3.35 0.01 0.00 -0.44 0.00 0.00 34.13 30.21 2hgu s GLU 119 CO 0.04 -0.50 1.30 0.42 0.95 0.00 0.00 175.26 177.47 2hgu s ILE 120 N 1.45 4.10 -0.24 1.83 1.09 -1.26 -1.32 121.20 126.85 2hgu s ILE 120 Ca 0.01 1.21 -0.16 0.00 -1.10 0.00 0.00 60.65 60.60 2hgu s ILE 120 Cb -0.18 -4.22 -0.12 0.00 -1.06 0.00 0.00 42.46 36.87 2hgu s ILE 120 CO 0.02 -0.60 -0.19 1.57 -0.10 0.00 0.00 174.94 175.64 2hgu n HIS 121 N 7.92 0.35 -0.10 3.97 -0.00 0.03 -4.79 115.22 122.61 2hgu n HIS 121 Ca 0.15 0.15 -0.19 0.00 0.46 0.00 0.00 57.72 58.29 2hgu n HIS 121 Cb 0.47 -0.94 -0.10 0.00 -0.12 0.00 0.00 29.99 29.30 2hgu n HIS 121 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hgu h ARG 122 N -1.00 0.00 0.00 1.57 2.47 -0.03 -3.48 114.38 113.92 2hgu h ARG 122 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2hgu h ARG 122 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 2hgu h ARG 122 CO -0.28 0.82 0.00 -3.47 0.56 0.00 0.00 179.97 177.61 2hgu n ASP 123 N -4.47 0.00 -4.37 7.04 2.03 -1.26 -4.82 116.55 110.70 2hgu n ASP 123 Ca -0.27 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.84 2hgu n ASP 123 Cb 0.60 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.90 2hgu n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hgu s ILE 124 N 0.00 1.88 -0.14 5.18 1.01 -1.26 -0.86 121.20 127.00 2hgu s ILE 124 Ca 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 60.65 58.44 2hgu s ILE 124 Cb 0.00 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2hgu s ILE 124 CO 0.00 -0.54 -0.18 -0.76 0.00 0.00 0.00 174.94 173.46 2hgu s LEU 125 N -3.30 1.90 -1.16 2.97 1.43 -0.32 -4.90 118.68 115.30 2hgu s LEU 125 Ca 0.23 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2hgu s LEU 125 Cb -0.02 -1.30 0.24 0.00 0.03 0.00 0.00 46.19 45.15 2hgu s LEU 125 CO 0.08 0.01 1.28 0.52 0.23 0.00 0.00 176.35 178.47 2hgu n VAL 126 N 4.43 4.50 -1.45 -1.59 0.31 -0.91 -0.84 118.33 122.78 2hgu n VAL 126 Ca -0.19 -5.16 0.00 0.00 -0.01 0.00 0.00 64.34 58.98 2hgu n VAL 126 Cb 0.51 -2.51 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 2hgu n VAL 126 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hgu n LYS 127 N 3.67 3.85 -4.78 5.55 4.76 0.29 -2.57 118.16 128.93 2hgu n LYS 127 Ca 0.29 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.46 2hgu n LYS 127 Cb 0.40 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.44 2hgu n LYS 127 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2hgu s VAL 128 N 2.59 1.73 -0.30 -0.18 1.01 0.16 -0.94 120.40 124.47 2hgu s VAL 128 Ca 0.00 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 2hgu s VAL 128 Cb 0.00 -1.49 0.17 0.00 0.00 0.00 0.00 36.38 35.07 2hgu s VAL 128 CO 0.00 0.29 1.24 -0.44 0.00 0.00 0.00 175.10 176.20 2hgu s SER 129 N -1.02 -0.05 -0.67 3.32 0.01 -0.24 -4.25 113.70 110.80 2hgu s SER 129 Ca 0.08 0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.25 2hgu s SER 129 Cb -0.09 1.04 -0.18 0.00 0.21 0.00 0.00 66.02 67.00 2hgu s SER 129 CO 0.01 -0.01 1.84 -2.65 0.41 0.00 0.00 173.24 172.85 2hgu n PRO 130 N 5.46 0.12 -2.24 12.44 -0.02 -1.19 -3.28 135.00 146.28 2hgu n PRO 130 Ca -0.08 -0.43 -0.04 0.00 -2.02 0.00 0.00 63.50 60.93 2hgu n PRO 130 Cb 0.55 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 2hgu n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hgu n ARG 131 N 6.23 -2.35 -3.13 -0.52 1.74 -1.26 -4.67 116.66 112.70 2hgu n ARG 131 Ca 0.39 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 57.29 2hgu n ARG 131 Cb 0.36 -3.50 -0.04 0.00 -1.02 0.00 0.00 32.46 28.26 2hgu n ARG 131 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2hgu n ASN 132 N -1.22 0.03 -4.36 0.55 3.02 -1.20 -5.08 115.26 106.99 2hgu n ASN 132 Ca 0.01 -2.92 -0.33 0.00 -0.03 0.00 0.00 54.58 51.32 2hgu n ASN 132 Cb 0.38 -0.29 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 2hgu n ASN 132 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2hgu s ILE 133 N -1.41 2.84 0.35 2.41 -5.25 -1.26 -4.76 121.20 114.12 2hgu s ILE 133 Ca 0.36 -0.75 -0.27 0.00 -0.99 0.00 0.00 60.65 58.99 2hgu s ILE 133 Cb 0.25 -2.16 -0.09 0.00 2.95 0.00 0.00 42.46 43.41 2hgu s ILE 133 CO -0.11 0.54 1.24 -2.16 -1.79 0.00 0.00 174.94 172.67 2hgu s PRO 134 N 0.13 4.25 0.00 0.37 0.04 -1.26 -4.89 135.00 133.64 2hgu s PRO 134 Ca -0.08 2.05 0.20 0.00 0.04 0.00 0.00 61.00 63.21 2hgu s PRO 134 Cb -0.15 -2.94 1.07 0.00 0.04 0.00 0.00 34.50 32.53 2hgu s PRO 134 CO 0.05 -0.22 1.59 0.39 0.04 0.00 0.00 177.00 178.86 2hgu n GLU 135 N 0.56 0.43 -2.98 4.56 -0.58 -1.26 -4.20 120.64 117.18 2hgu n GLU 135 Ca 0.02 0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.70 2hgu n GLU 135 Cb 0.44 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.78 2hgu n GLU 135 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2hgu s PHE 136 N -2.32 -0.70 0.44 -0.32 0.40 -1.25 -4.38 117.98 109.85 2hgu s PHE 136 Ca 0.23 -1.17 -0.20 0.00 -0.60 0.00 0.00 56.93 55.19 2hgu s PHE 136 Cb 0.13 -0.10 -0.10 0.00 0.51 0.00 0.00 43.02 43.46 2hgu s PHE 136 CO 0.27 -1.13 0.95 0.42 0.70 0.00 0.00 175.22 176.43 2hgu s ILE 137 N 0.60 4.42 0.17 0.64 1.01 -0.06 -4.83 121.20 123.14 2hgu s ILE 137 Ca 0.31 1.43 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 2hgu s ILE 137 Cb 0.01 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2hgu s ILE 137 CO -0.10 -0.38 0.34 -1.61 0.00 0.00 0.00 174.94 173.19 2hgu s GLU 138 N -3.33 1.19 0.15 2.79 2.02 -1.26 -1.06 118.70 119.20 2hgu s GLU 138 Ca 0.61 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 2hgu s GLU 138 Cb -0.09 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.58 2hgu s GLU 138 CO 0.16 -0.45 0.40 0.08 0.02 0.00 0.00 175.26 175.47 2hgu s VAL 139 N -3.93 0.06 0.12 2.63 1.01 -0.25 -4.91 120.40 115.12 2hgu s VAL 139 Ca 0.14 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 2hgu s VAL 139 Cb 0.02 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 35.08 2hgu s VAL 139 CO -0.02 -0.29 0.50 -1.81 0.00 0.00 0.00 175.10 173.48 2hgu s ASP 140 N -2.85 -0.39 -0.30 3.32 1.11 -1.26 -1.07 116.67 115.23 2hgu s ASP 140 Ca 0.07 -0.09 -0.14 0.00 0.18 0.00 0.00 52.55 52.57 2hgu s ASP 140 Cb 0.02 0.52 0.18 0.00 1.07 0.00 0.00 42.92 44.70 2hgu s ASP 140 CO -0.08 -0.85 1.11 -0.69 1.18 0.00 0.00 175.17 175.83 2hgu s VAL 141 N -3.43 -0.19 -0.63 -1.27 1.01 -0.40 -4.98 120.40 110.51 2hgu s VAL 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2hgu s VAL 141 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2hgu s VAL 141 CO -0.10 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 173.80 2hgu n SER 142 N 5.26 0.00 -4.32 3.32 7.64 -1.23 -4.07 113.62 120.22 2hgu n SER 142 Ca 0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.52 2hgu n SER 142 Cb 0.56 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.64 2hgu n SER 142 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hgu s GLY 143 N -0.63 1.82 -0.19 0.23 0.00 -1.25 -4.46 107.32 102.83 2hgu s GLY 143 Ca 0.00 -1.59 0.23 0.00 0.00 0.00 0.00 44.72 43.36 2hgu s GLY 143 CO 0.00 0.71 1.13 1.04 0.00 0.00 0.00 173.10 175.98 2hgu n LEU 144 N 4.85 1.54 0.00 0.66 4.77 -1.20 -4.90 117.00 122.71 2hgu n LEU 144 Ca -0.14 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.03 2hgu n LEU 144 Cb 0.46 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2hgu n LEU 144 CO 0.32 0.93 0.00 -0.62 -1.33 0.00 0.00 177.39 176.69 2hgu n GLU 145 N -0.32 0.00 0.00 3.23 1.02 -1.26 -3.69 120.64 119.62 2hgu n GLU 145 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2hgu n GLU 145 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.31 2hgu n GLU 145 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2hgu n ILE 146 N 0.00 0.00 -0.49 -3.67 5.41 -1.26 -0.24 119.36 119.11 2hgu n ILE 146 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2hgu n ILE 146 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 2hgu n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hgu n GLY 147 N 0.00 2.13 3.76 7.39 0.00 -1.26 -4.83 105.19 112.38 2hgu n GLY 147 Ca 0.00 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2hgu n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hgu s ASP 148 N 2.09 6.87 0.07 1.61 1.01 0.67 -5.05 116.67 123.93 2hgu s ASP 148 Ca 0.16 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.29 2hgu s ASP 148 Cb 0.08 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.71 2hgu s ASP 148 CO 0.00 0.10 0.37 -0.55 0.21 0.00 0.00 175.17 175.30 2hgu s SER 149 N -0.07 -0.21 0.03 0.27 0.15 -1.26 -1.09 113.70 111.52 2hgu s SER 149 Ca 0.29 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.76 2hgu s SER 149 Cb -0.17 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 2hgu s SER 149 CO 0.15 -0.72 -0.05 -0.76 1.20 0.00 0.00 173.24 173.05 2hgu s LEU 150 N -2.34 2.27 0.00 3.45 1.43 -0.31 -4.99 118.68 118.19 2hgu s LEU 150 Ca -0.02 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2hgu s LEU 150 Cb 0.00 -0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 2hgu s LEU 150 CO -0.06 -0.28 0.10 1.41 0.23 0.00 0.00 176.35 177.75 2hgu n HIS 151 N 1.42 -0.13 0.31 0.29 8.25 -1.26 0.25 115.22 124.34 2hgu n HIS 151 Ca -0.23 -1.31 0.19 0.00 -0.26 0.00 0.00 57.72 56.12 2hgu n HIS 151 Cb 0.55 0.06 1.00 0.00 1.12 0.00 0.00 29.99 32.72 2hgu n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hgu h ALA 152 N 1.41 1.31 -3.00 -1.41 0.00 -1.87 -1.02 119.26 114.69 2hgu h ALA 152 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hgu h ALA 152 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hgu h ALA 152 CO 0.21 -0.17 0.00 0.45 0.00 0.00 0.00 179.25 179.74 2hgu n SER 153 N -3.22 0.00 -0.29 0.00 2.88 -1.26 -3.00 113.62 108.73 2hgu n SER 153 Ca -0.02 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 2hgu n SER 153 Cb 0.23 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.80 2hgu n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2hgu n ASP 154 N 0.00 -0.28 0.00 -3.46 8.00 -1.19 -4.36 116.55 115.26 2hgu n ASP 154 Ca 0.00 1.38 0.00 0.00 0.71 0.00 0.00 54.79 56.88 2hgu n ASP 154 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2hgu n ASP 154 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2hgu n LEU 155 N -5.30 0.00 -1.28 0.64 7.94 -0.39 -4.73 117.00 113.88 2hgu n LEU 155 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2hgu n LEU 155 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2hgu n LEU 155 CO -0.10 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.35 2hgu n LYS 156 N 0.00 0.00 -2.79 1.96 3.00 -1.26 -4.73 118.16 114.35 2hgu n LYS 156 Ca 0.00 0.43 -0.35 0.00 -0.00 0.00 0.00 58.31 58.39 2hgu n LYS 156 Cb 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 35.03 33.83 2hgu n LYS 156 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2hgu s LEU 157 N -0.57 4.13 0.00 3.14 0.20 -1.26 -4.81 118.68 119.51 2hgu s LEU 157 Ca 0.00 1.77 0.00 0.00 0.69 0.00 0.00 54.13 56.59 2hgu s LEU 157 Cb 0.00 -4.28 0.02 0.00 -0.43 0.00 0.00 46.19 41.49 2hgu s LEU 157 CO 0.00 -0.24 0.12 -0.81 -0.29 0.00 0.00 176.35 175.13 2hgu n PRO 158 N -0.07 0.55 -0.28 0.98 -0.04 -1.26 -4.98 135.00 129.90 2hgu n PRO 158 Ca 0.05 -0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.21 2hgu n PRO 158 Cb 0.52 -0.08 0.10 0.00 -0.04 0.00 0.00 33.50 34.00 2hgu n PRO 158 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2hgu h PRO 159 N 0.00 -0.00 -4.59 0.54 0.11 -2.00 -2.95 132.00 123.11 2hgu h PRO 159 Ca -0.04 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.34 2hgu h PRO 159 Cb 0.14 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.11 2hgu h PRO 159 CO 0.04 -0.00 1.77 0.41 -0.21 0.00 0.00 178.00 180.01 2hgu n GLY 160 N -1.53 3.64 3.55 -0.55 0.00 -1.26 -4.97 105.19 104.07 2hgu n GLY 160 Ca 0.12 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2hgu n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgu s VAL 161 N 1.83 3.48 -0.29 1.61 1.01 -1.12 -4.83 120.40 122.09 2hgu s VAL 161 Ca 0.44 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 2hgu s VAL 161 Cb 0.02 -4.23 0.19 0.00 0.00 0.00 0.00 36.38 32.37 2hgu s VAL 161 CO 0.01 -1.17 0.83 -1.61 0.00 0.00 0.00 175.10 173.16 2hgu s GLU 162 N 6.57 0.35 -0.65 2.72 0.41 -1.26 -5.02 118.70 121.82 2hgu s GLU 162 Ca 0.58 0.36 -0.23 0.00 -0.41 0.00 0.00 54.97 55.27 2hgu s GLU 162 Cb -0.11 0.17 0.06 0.00 -1.78 0.00 0.00 34.13 32.47 2hgu s GLU 162 CO 0.20 -0.62 0.97 -0.51 -0.49 0.00 0.00 175.26 174.80 2hgu s LEU 163 N 2.90 4.30 0.00 1.80 1.02 -1.26 -0.67 118.68 126.77 2hgu s LEU 163 Ca 0.18 -0.88 0.30 0.00 0.02 0.00 0.00 54.13 53.75 2hgu s LEU 163 Cb -0.06 -2.48 1.42 0.00 0.02 0.00 0.00 46.19 45.09 2hgu s LEU 163 CO -0.24 -1.42 1.98 0.00 0.02 0.00 0.00 176.35 176.69 2hgu n ALA 164 N 7.73 2.66 -1.72 4.21 0.00 -1.24 -4.78 120.51 127.36 2hgu n ALA 164 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2hgu n ALA 164 Cb 0.46 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2hgu n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgu n VAL 165 N -1.00 0.00 -3.93 0.00 0.31 -1.06 -4.82 118.33 107.83 2hgu n VAL 165 Ca 0.16 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.28 2hgu n VAL 165 Cb 0.24 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.15 2hgu n VAL 165 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2hgu s SER 166 N -1.00 6.05 -1.15 4.52 0.15 -1.26 -5.03 113.70 115.99 2hgu s SER 166 Ca 0.00 -0.06 -0.22 0.00 0.70 0.00 0.00 55.95 56.37 2hgu s SER 166 Cb 0.00 -1.64 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 2hgu s SER 166 CO 0.00 -0.12 1.81 -2.16 1.20 0.00 0.00 173.24 173.96 2hgu s PRO 167 N -3.98 3.12 0.09 5.44 0.04 -1.26 -4.56 135.00 133.89 2hgu s PRO 167 Ca 0.36 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 60.13 2hgu s PRO 167 Cb -0.09 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.13 2hgu s PRO 167 CO 0.28 -3.10 0.00 -1.91 0.04 0.00 0.00 177.00 172.31 2hgu n GLU 168 N 8.51 -4.70 -1.27 4.56 0.00 -1.26 -4.79 120.64 121.69 2hgu n GLU 168 Ca 0.44 3.43 -0.00 0.00 0.00 0.00 0.00 57.16 61.03 2hgu n GLU 168 Cb 0.47 -3.98 -0.02 0.00 0.00 0.00 0.00 31.44 27.91 2hgu n GLU 168 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2hgu n GLU 169 N 1.63 0.00 -1.30 5.31 2.13 -1.26 -4.80 120.64 122.35 2hgu n GLU 169 Ca 0.00 -1.55 0.00 0.00 0.66 0.00 0.00 57.16 56.27 2hgu n GLU 169 Cb 0.00 0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.89 2hgu n GLU 169 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2hgu n THR 170 N 0.29 -2.60 -0.13 6.31 -1.04 -1.26 -4.92 114.28 110.93 2hgu n THR 170 Ca -0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.82 2hgu n THR 170 Cb 0.95 -3.23 -0.02 0.00 -1.82 0.00 0.00 70.33 66.21 2hgu n THR 170 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2hgu h ILE 171 N 0.00 1.27 0.00 12.58 6.09 0.31 -3.39 117.51 134.37 2hgu h ILE 171 Ca 0.00 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.34 2hgu h ILE 171 Cb 0.00 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.53 2hgu h ILE 171 CO 0.00 0.38 0.00 0.00 -3.07 0.00 0.00 178.15 175.46 2hgu n ALA 172 N -2.44 0.00 -3.77 0.18 0.00 -0.46 0.62 120.51 114.64 2hgu n ALA 172 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2hgu n ALA 172 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2hgu n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu s ALA 173 N -1.00 -2.11 -0.10 0.00 0.00 -0.44 -1.16 121.76 116.95 2hgu s ALA 173 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2hgu s ALA 173 Cb 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2hgu s ALA 173 CO 0.00 -1.08 -0.10 0.14 0.00 0.00 0.00 175.76 174.72 2hgu s VAL 174 N -2.41 3.37 0.12 0.00 -7.23 -0.25 -0.88 120.40 113.12 2hgu s VAL 174 Ca 0.19 -0.58 0.09 0.00 -1.81 0.00 0.00 61.98 59.87 2hgu s VAL 174 Cb 0.02 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2hgu s VAL 174 CO -0.01 0.55 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.44 2hgu s VAL 175 N -0.20 1.79 0.77 1.32 1.01 -0.47 -4.48 120.40 120.15 2hgu s VAL 175 Ca 0.01 -1.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.22 2hgu s VAL 175 Cb -0.13 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.64 2hgu s VAL 175 CO 0.03 -0.11 1.09 -2.16 0.00 0.00 0.00 175.10 173.95 2hgu s PRO 176 N -2.15 2.29 0.00 2.72 0.04 -1.26 -1.06 135.00 135.59 2hgu s PRO 176 Ca 0.09 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2hgu s PRO 176 Cb -0.09 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2hgu s PRO 176 CO 0.05 -1.48 0.37 -0.35 0.04 0.00 0.00 177.00 175.63 2hgu n PRO 177 N -3.34 0.00 -0.85 0.56 -0.04 -1.26 -4.43 135.00 125.65 2hgu n PRO 177 Ca 0.07 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 2hgu n PRO 177 Cb 0.56 -0.93 0.10 0.00 -0.04 0.00 0.00 33.50 33.18 2hgu n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgu n GLU 178 N -0.96 0.71 -0.74 0.54 1.02 -1.26 -5.09 120.64 114.87 2hgu n GLU 178 Ca 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 2hgu n GLU 178 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2hgu n GLU 178 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hgu n ASP 179 N -0.39 -3.97 0.00 1.62 -0.08 -1.26 -5.18 116.55 107.29 2hgu n ASP 179 Ca 0.11 0.88 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 2hgu n ASP 179 Cb 0.86 -1.85 0.00 0.00 2.34 0.00 0.00 41.12 42.47 2hgu n ASP 179 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84