#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hta n GLU 8 N 0.00 1.32 0.20 -0.52 -0.00 -1.26 -4.90 120.64 115.49 3hta n GLU 8 Ca 0.00 -2.45 0.13 0.00 -0.00 0.00 0.00 57.16 54.83 3hta n GLU 8 Cb 0.00 -0.65 0.67 0.00 -0.00 0.00 0.00 31.44 31.46 3hta n GLU 8 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 3hta h ARG 9 N 1.76 0.00 -5.53 3.44 0.11 -2.02 -3.33 114.38 108.81 3hta h ARG 9 Ca -0.28 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.54 3hta h ARG 9 Cb 1.35 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.40 3hta h ARG 9 CO 0.02 0.00 0.76 0.50 0.10 0.00 0.00 179.97 181.35 3hta s ARG 10 N -3.64 2.34 0.00 0.08 3.52 -1.26 0.46 118.95 120.44 3hta s ARG 10 Ca -0.03 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3hta s ARG 10 Cb 0.07 -5.11 0.00 0.00 -1.56 0.00 0.00 34.95 28.35 3hta s ARG 10 CO 0.22 -3.89 0.00 0.94 -0.81 0.00 0.00 175.30 171.76 3hta n GLN 11 N 8.56 0.00 0.18 5.12 -0.06 -1.25 -4.86 117.38 125.07 3hta n GLN 11 Ca 0.43 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.46 3hta n GLN 11 Cb 0.46 0.00 0.40 0.00 -4.06 0.00 0.00 30.24 27.04 3hta n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hta h ARG 12 N 0.00 0.06 0.12 3.69 -0.00 -0.21 0.39 114.38 118.43 3hta h ARG 12 Ca 0.00 -0.02 -0.28 0.00 -0.50 0.00 0.00 59.98 59.18 3hta h ARG 12 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 29.96 3hta h ARG 12 CO 0.00 0.33 -1.30 0.82 0.00 0.00 0.00 179.97 179.82 3hta h ILE 13 N 0.06 1.42 -0.35 2.04 2.04 -1.50 -1.67 117.51 119.55 3hta h ILE 13 Ca 0.01 -3.02 -0.16 0.00 1.00 0.00 0.00 64.86 62.69 3hta h ILE 13 Cb 0.51 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 3hta h ILE 13 CO 0.04 0.87 -0.41 0.40 0.00 0.00 0.00 178.15 179.05 3hta h ILE 14 N 0.07 1.28 -0.05 -0.67 2.04 -1.63 -1.95 117.51 116.59 3hta h ILE 14 Ca -0.15 -1.59 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 3hta h ILE 14 Cb 1.97 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 3hta h ILE 14 CO 0.19 0.53 -0.53 0.44 0.00 0.00 0.00 178.15 178.77 3hta h ASP 15 N 0.71 0.14 0.52 1.72 3.45 -0.29 -2.44 116.42 120.22 3hta h ASP 15 Ca 0.05 -0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.35 3hta h ASP 15 Cb 0.99 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 3hta h ASP 15 CO 0.10 0.64 -0.43 0.00 -1.57 0.00 0.00 179.24 177.98 3hta h ALA 16 N 1.36 1.19 -0.18 3.45 0.00 -1.07 -2.43 119.26 121.59 3hta h ALA 16 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3hta h ALA 16 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hta h ALA 16 CO 0.08 0.54 -0.45 0.00 0.00 0.00 0.00 179.25 179.42 3hta h ALA 17 N 1.57 0.29 -0.09 0.00 0.00 -0.90 -1.12 119.26 119.01 3hta h ALA 17 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3hta h ALA 17 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hta h ALA 17 CO 0.06 0.43 -0.12 0.82 0.00 0.00 0.00 179.25 180.44 3hta h ILE 18 N 0.28 1.14 -0.01 0.00 5.03 -1.25 -0.38 117.51 122.33 3hta h ILE 18 Ca -0.01 -0.63 -0.03 0.00 -0.12 0.00 0.00 64.86 64.08 3hta h ILE 18 Cb 1.06 1.21 0.00 0.00 -3.03 0.00 0.00 36.82 36.06 3hta h ILE 18 CO 0.10 0.19 -0.11 0.03 -0.68 0.00 0.00 178.15 177.68 3hta h ARG 19 N 0.14 0.09 -0.01 2.37 3.08 -1.34 -1.80 114.38 116.91 3hta h ARG 19 Ca 0.03 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3hta h ARG 19 Cb 0.30 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3hta h ARG 19 CO 0.02 0.79 -0.15 0.28 -1.07 0.00 0.00 179.97 179.83 3hta h VAL 20 N -0.57 0.62 0.24 2.04 2.07 -0.90 0.65 116.25 120.40 3hta h VAL 20 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hta h VAL 20 Cb 0.82 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3hta h VAL 20 CO 0.02 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 178.01 3hta h VAL 21 N -0.25 0.62 -0.57 2.57 2.07 -1.16 1.98 116.25 121.51 3hta h VAL 21 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hta h VAL 21 Cb 0.32 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3hta h VAL 21 CO -0.16 0.00 0.37 1.23 0.02 0.00 0.00 177.57 179.03 3hta h GLY 22 N -0.42 0.80 0.48 2.17 0.00 -1.17 0.60 103.07 105.53 3hta h GLY 22 Ca -0.02 -0.30 -0.34 0.00 0.00 0.00 0.00 47.33 46.67 3hta h GLY 22 CO -0.00 0.30 -1.89 -0.18 0.00 0.00 0.00 176.54 174.76 3hta n GLN 23 N -4.44 0.72 -0.00 4.80 0.00 0.21 -4.52 117.38 114.15 3hta n GLN 23 Ca 0.05 0.31 0.08 0.00 -0.00 0.00 0.00 57.00 57.44 3hta n GLN 23 Cb 0.05 -1.71 0.07 0.00 0.00 0.00 0.00 30.24 28.65 3hta n GLN 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3hta n LYS 24 N -3.65 1.14 0.00 3.69 3.00 0.67 -5.06 118.16 117.94 3hta n LYS 24 Ca -0.33 -1.42 0.00 0.00 -0.00 0.00 0.00 58.31 56.56 3hta n LYS 24 Cb 0.98 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.72 3hta n LYS 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hta n GLY 25 N 0.86 -1.99 0.36 3.14 0.00 0.21 -4.04 105.19 103.72 3hta n GLY 25 Ca 0.09 -1.33 0.18 0.00 0.00 0.00 0.00 46.02 44.96 3hta n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hta h ILE 26 N 0.00 0.62 0.00 -0.61 2.10 -1.87 0.12 117.51 117.88 3hta h ILE 26 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hta h ILE 26 Cb 0.00 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 3hta h ILE 26 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3hta h ALA 27 N 1.74 1.00 -0.91 0.18 0.00 -1.93 -2.38 119.26 116.96 3hta h ALA 27 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.64 3hta h ALA 27 Cb 0.75 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.28 3hta h ALA 27 CO -0.00 0.00 0.54 0.41 0.00 0.00 0.00 179.25 180.19 3hta n GLY 28 N -0.58 4.32 3.78 0.00 0.00 0.43 -4.93 105.19 108.21 3hta n GLY 28 Ca -0.01 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 3hta n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hta s LEU 29 N -3.23 4.16 -0.20 0.99 0.20 -0.90 -4.86 118.68 114.84 3hta s LEU 29 Ca 0.56 0.30 -0.29 0.00 0.69 0.00 0.00 54.13 55.39 3hta s LEU 29 Cb 0.47 -2.03 0.15 0.00 -0.43 0.00 0.00 46.19 44.34 3hta s LEU 29 CO 0.11 0.30 1.11 -0.94 -0.29 0.00 0.00 176.35 176.64 3hta s SER 30 N -0.40 -0.28 0.43 3.68 1.04 -1.26 -4.99 113.70 111.93 3hta s SER 30 Ca 0.11 0.32 0.26 0.00 0.48 0.00 0.00 55.95 57.12 3hta s SER 30 Cb -0.12 0.25 1.30 0.00 0.10 0.00 0.00 66.02 67.55 3hta s SER 30 CO 0.01 -0.24 1.71 0.45 0.98 0.00 0.00 173.24 176.15 3hta h HIS 31 N 2.52 0.53 0.00 5.02 3.86 -1.97 0.11 115.15 125.21 3hta h HIS 31 Ca -0.16 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 58.98 3hta h HIS 31 Cb 1.17 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 29.51 3hta h HIS 31 CO 0.26 -0.06 -0.36 -0.09 0.86 0.00 0.00 177.93 178.54 3hta h ARG 32 N 0.22 0.24 0.00 2.45 9.65 -1.95 -2.16 114.38 122.82 3hta h ARG 32 Ca 0.70 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 59.27 3hta h ARG 32 Cb 2.08 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.73 3hta h ARG 32 CO -0.32 0.99 -0.22 0.00 2.80 0.00 0.00 179.97 183.22 3hta h THR 33 N -0.40 0.67 0.00 0.20 1.03 -1.37 -2.51 112.91 110.54 3hta h THR 33 Ca -0.05 -0.95 -0.03 0.00 -0.01 0.00 0.00 66.41 65.38 3hta h THR 33 Cb 1.12 1.61 -0.00 0.00 -1.07 0.00 0.00 68.15 69.80 3hta h THR 33 CO 0.07 0.21 -0.20 0.58 -0.01 0.00 0.00 175.52 176.17 3hta h VAL 34 N 0.00 0.76 -0.84 0.00 2.07 -0.96 -3.01 116.25 114.27 3hta h VAL 34 Ca -0.00 -1.62 0.12 0.00 0.82 0.00 0.00 66.70 66.01 3hta h VAL 34 Cb 0.59 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 31.72 3hta h VAL 34 CO 0.03 0.26 -0.36 0.00 0.02 0.00 0.00 177.57 177.52 3hta n ALA 35 N -2.89 -0.18 0.38 1.67 0.00 -0.81 0.00 120.51 118.67 3hta n ALA 35 Ca -0.08 0.81 -0.16 0.00 0.00 0.00 0.00 53.44 54.01 3hta n ALA 35 Cb 0.28 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 3hta n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hta h ALA 36 N 1.02 -1.24 -1.00 0.00 0.00 -1.59 0.41 119.26 116.86 3hta h ALA 36 Ca 0.26 -0.22 0.29 0.00 0.00 0.00 0.00 54.91 55.24 3hta h ALA 36 Cb 0.47 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hta h ALA 36 CO -0.82 -1.19 0.72 1.49 0.00 0.00 0.00 179.25 179.45 3hta h GLU 37 N -1.02 0.02 0.00 0.00 4.57 -0.67 1.49 114.58 118.96 3hta h GLU 37 Ca -0.10 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3hta h GLU 37 Cb 0.80 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 3hta h GLU 37 CO 0.12 0.01 -0.64 0.00 -1.18 0.00 0.00 179.01 177.32 3hta n ALA 38 N -2.72 3.08 -2.62 2.92 0.00 0.10 -4.90 120.51 116.37 3hta n ALA 38 Ca 0.21 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 3hta n ALA 38 Cb 1.05 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 19.40 3hta n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hta n ASP 39 N -1.98 -2.53 -4.25 0.00 -0.08 0.51 -4.94 116.55 103.29 3hta n ASP 39 Ca 0.04 -0.31 -0.14 0.00 -1.51 0.00 0.00 54.79 52.87 3hta n ASP 39 Cb 0.42 -2.77 -0.10 0.00 2.34 0.00 0.00 41.12 41.01 3hta n ASP 39 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3hta s VAL 40 N -3.18 0.62 0.46 5.18 -7.23 0.12 -5.01 120.40 111.37 3hta s VAL 40 Ca 0.05 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.02 3hta s VAL 40 Cb -0.01 -2.19 -0.08 0.00 0.56 0.00 0.00 36.38 34.66 3hta s VAL 40 CO 0.36 -0.40 1.12 -2.16 -0.31 0.00 0.00 175.10 173.70 3hta s PRO 41 N -3.94 3.79 0.00 4.82 0.04 -1.26 -4.14 135.00 134.31 3hta s PRO 41 Ca 0.26 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3hta s PRO 41 Cb 0.06 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3hta s PRO 41 CO 0.05 -0.49 0.85 -0.11 0.04 0.00 0.00 177.00 177.34 3hta n LEU 42 N -0.59 0.00 -0.06 -3.56 7.94 -1.26 -1.69 117.00 117.78 3hta n LEU 42 Ca 0.08 0.36 -0.07 0.00 -1.11 0.00 0.00 56.01 55.27 3hta n LEU 42 Cb 0.49 -0.36 -0.05 0.00 0.53 0.00 0.00 43.42 44.03 3hta n LEU 42 CO 0.45 -0.36 0.05 1.23 -1.11 0.00 0.00 177.39 177.65 3hta h GLY 43 N 0.00 0.00 -0.89 -3.96 0.00 -1.94 -3.24 103.07 93.03 3hta h GLY 43 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 3hta h GLY 43 CO 0.00 0.00 -0.27 1.76 0.00 0.00 0.00 176.54 178.03 3hta h SER 44 N -1.00 -0.99 0.29 0.19 0.02 -1.69 0.11 113.55 110.48 3hta h SER 44 Ca -0.03 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3hta h SER 44 Cb 0.48 0.62 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 3hta h SER 44 CO -0.02 -0.31 -0.39 0.74 -1.14 0.00 0.00 176.83 175.72 3hta h THR 45 N -0.01 0.21 0.00 -2.27 2.02 -1.72 0.13 112.91 111.27 3hta h THR 45 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 3hta h THR 45 Cb 0.67 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3hta h THR 45 CO -0.97 0.00 0.00 0.41 0.37 0.00 0.00 175.52 175.33 3hta n THR 46 N -5.47 1.39 -0.05 3.16 -1.04 -0.09 -1.18 114.28 110.99 3hta n THR 46 Ca -0.09 0.54 -0.22 0.00 -2.04 0.00 0.00 64.05 62.24 3hta n THR 46 Cb 0.38 -1.51 -0.13 0.00 -1.82 0.00 0.00 70.33 67.26 3hta n THR 46 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3hta h TYR 47 N 0.00 0.22 -0.00 -1.42 3.20 0.78 -2.60 116.97 117.14 3hta h TYR 47 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3hta h TYR 47 Cb 0.07 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hta h TYR 47 CO 0.00 1.61 -0.09 0.72 -1.64 0.00 0.00 178.16 178.76 3hta n HIS 48 N -4.04 0.00 0.00 -3.82 8.25 0.30 -4.42 115.22 111.50 3hta n HIS 48 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3hta n HIS 48 Cb 0.84 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3hta n HIS 48 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hta n PHE 49 N -1.35 0.00 0.00 4.41 3.01 -0.33 -4.99 117.46 118.21 3hta n PHE 49 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3hta n PHE 49 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3hta n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hta n ALA 50 N -1.04 0.00 -3.36 4.37 0.00 -0.98 -4.54 120.51 114.95 3hta n ALA 50 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hta n ALA 50 Cb 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 3hta n ALA 50 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hta s THR 51 N -0.93 0.02 0.19 0.00 -4.23 -1.26 -5.04 115.64 104.38 3hta s THR 51 Ca 0.00 -0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 3hta s THR 51 Cb 0.00 -1.01 0.06 0.00 1.34 0.00 0.00 72.50 72.89 3hta s THR 51 CO 0.00 -0.07 1.64 0.25 -0.54 0.00 0.00 174.62 175.90 3hta h LEU 52 N 2.44 1.02 -0.53 4.79 5.85 -2.00 -2.96 115.31 123.92 3hta h LEU 52 Ca -0.32 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.14 3hta h LEU 52 Cb 1.25 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3hta h LEU 52 CO 0.40 1.09 0.28 0.44 -0.34 0.00 0.00 178.44 180.32 3hta h ASP 53 N 0.94 0.42 -0.15 1.25 3.32 -1.96 -0.08 116.42 120.16 3hta h ASP 53 Ca 0.16 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.28 3hta h ASP 53 Cb 0.59 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hta h ASP 53 CO 0.04 0.29 0.12 0.44 -1.72 0.00 0.00 179.24 178.41 3hta h ASP 54 N 0.55 0.00 -0.02 6.45 3.45 -1.76 0.12 116.42 125.21 3hta h ASP 54 Ca 0.23 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.64 3hta h ASP 54 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3hta h ASP 54 CO -0.15 0.00 -0.18 0.25 -1.57 0.00 0.00 179.24 177.59 3hta h LEU 55 N 0.00 0.19 -0.82 1.55 5.85 -0.96 -3.15 115.31 117.97 3hta h LEU 55 Ca 0.07 -0.70 -0.12 0.00 0.84 0.00 0.00 57.88 57.97 3hta h LEU 55 Cb 0.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hta h LEU 55 CO -0.00 0.87 -0.48 0.24 -0.34 0.00 0.00 178.44 178.72 3hta h MET 56 N -0.47 0.25 -0.66 1.25 2.86 -0.47 -1.85 114.93 115.84 3hta h MET 56 Ca -0.02 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3hta h MET 56 Cb 0.88 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 3hta h MET 56 CO 0.04 0.68 0.39 0.28 1.06 0.00 0.00 176.91 179.36 3hta h VAL 57 N 0.20 1.04 -0.09 -2.22 2.07 -0.87 0.34 116.25 116.73 3hta h VAL 57 Ca 0.01 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 3hta h VAL 57 Cb 0.93 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hta h VAL 57 CO 0.08 0.14 -0.65 0.00 0.02 0.00 0.00 177.57 177.16 3hta h ALA 58 N 1.31 0.72 -0.07 1.67 0.00 -1.47 -1.18 119.26 120.24 3hta h ALA 58 Ca 0.28 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3hta h ALA 58 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hta h ALA 58 CO -0.13 0.74 -0.50 0.00 0.00 0.00 0.00 179.25 179.36 3hta h ALA 59 N 1.06 1.03 0.13 0.00 0.00 -0.77 -2.42 119.26 118.29 3hta h ALA 59 Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 3hta h ALA 59 Cb 1.19 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.92 3hta h ALA 59 CO 0.11 0.65 -1.26 1.25 0.00 0.00 0.00 179.25 180.00 3hta h LEU 60 N 0.15 0.78 -1.26 0.00 5.85 -0.87 -2.00 115.31 117.97 3hta h LEU 60 Ca 0.01 -0.75 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 3hta h LEU 60 Cb 0.93 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3hta h LEU 60 CO 0.07 1.56 0.27 -0.09 -0.34 0.00 0.00 178.44 179.91 3hta h ARG 61 N 0.23 0.78 -0.01 1.25 9.65 -1.12 0.23 114.38 125.38 3hta h ARG 61 Ca -0.18 -0.09 -0.17 0.00 -1.10 0.00 0.00 59.98 58.44 3hta h ARG 61 Cb 1.94 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 30.38 3hta h ARG 61 CO 0.23 0.60 -0.65 0.37 2.80 0.00 0.00 179.97 183.33 3hta h GLN 62 N 0.78 0.46 -0.83 0.20 4.15 -1.47 -3.25 115.11 115.15 3hta h GLN 62 Ca 0.20 -0.48 0.02 0.00 0.77 0.00 0.00 58.65 59.15 3hta h GLN 62 Cb 0.08 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 3hta h GLN 62 CO -0.03 1.13 0.54 0.00 -1.93 0.00 0.00 178.83 178.54 3hta h ALA 63 N 0.35 1.07 0.00 3.38 0.00 -1.07 -1.10 119.26 121.89 3hta h ALA 63 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hta h ALA 63 Cb 1.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hta h ALA 63 CO 0.13 0.42 0.30 -0.91 0.00 0.00 0.00 179.25 179.19 3hta h ASN 64 N 1.09 0.00 0.64 0.00 2.35 -0.99 0.37 115.58 119.04 3hta h ASN 64 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3hta h ASN 64 Cb -0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3hta h ASN 64 CO -0.09 0.00 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.34 3hta h GLU 65 N 0.00 0.00 0.32 0.81 5.08 -1.31 -2.93 114.58 116.55 3hta h GLU 65 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3hta h GLU 65 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hta h GLU 65 CO 0.00 0.03 -0.15 0.78 -1.00 0.00 0.00 179.01 178.66 3hta h GLY 66 N 1.30 -0.45 0.64 -3.84 0.00 -0.42 0.36 103.07 100.66 3hta h GLY 66 Ca -0.00 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.57 3hta h GLY 66 CO 0.00 -0.16 0.49 -2.75 0.00 0.00 0.00 176.54 174.12 3hta h PHE 67 N -0.45 0.90 -0.54 5.60 3.57 -1.76 -1.84 116.94 122.42 3hta h PHE 67 Ca -0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3hta h PHE 67 Cb 0.33 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3hta h PHE 67 CO 0.14 0.42 0.36 0.00 -2.23 0.00 0.00 178.31 177.01 3hta h ALA 68 N 1.42 1.65 -0.50 2.41 0.00 -1.49 -1.85 119.26 120.90 3hta h ALA 68 Ca 0.38 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3hta h ALA 68 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hta h ALA 68 CO -0.20 0.31 0.00 -0.09 0.00 0.00 0.00 179.25 179.27 3hta h ARG 69 N 0.70 0.84 -0.12 0.00 2.43 -0.04 -1.79 114.38 116.40 3hta h ARG 69 Ca 0.21 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 3hta h ARG 69 Cb -0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3hta h ARG 69 CO -0.05 0.84 -0.41 0.28 -1.51 0.00 0.00 179.97 179.11 3hta h VAL 70 N 0.78 1.31 0.00 0.20 2.07 -1.21 -2.81 116.25 116.58 3hta h VAL 70 Ca 0.15 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.02 3hta h VAL 70 Cb 0.47 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3hta h VAL 70 CO 0.02 0.46 -0.54 0.58 0.02 0.00 0.00 177.57 178.12 3hta h VAL 71 N 0.22 1.07 0.00 2.57 2.07 -1.02 -3.06 116.25 118.10 3hta h VAL 71 Ca 0.02 -2.09 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 3hta h VAL 71 Cb 0.83 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3hta h VAL 71 CO 0.07 0.52 -0.13 0.00 0.02 0.00 0.00 177.57 178.05 3hta h ALA 72 N 1.46 0.97 -0.51 1.67 0.00 -1.08 -2.95 119.26 118.82 3hta h ALA 72 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hta h ALA 72 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hta h ALA 72 CO 0.07 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3hta n ALA 73 N -2.15 3.59 -3.16 0.00 0.00 -1.15 -4.48 120.51 113.15 3hta n ALA 73 Ca 0.01 -1.60 -0.22 0.00 0.00 0.00 0.00 53.44 51.63 3hta n ALA 73 Cb 0.45 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 3hta n ALA 73 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hta n HIS 74 N 0.61 1.26 -0.09 0.00 8.25 -1.12 -4.94 115.22 119.19 3hta n HIS 74 Ca 0.24 -3.83 0.25 0.00 -0.26 0.00 0.00 57.72 54.11 3hta n HIS 74 Cb 1.02 -0.43 0.71 0.00 1.12 0.00 0.00 29.99 32.41 3hta n HIS 74 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3hta h PRO 75 N 3.36 0.00 0.00 -0.41 0.11 -1.79 -1.09 132.00 132.18 3hta h PRO 75 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hta h PRO 75 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hta h PRO 75 CO 0.60 0.00 0.20 0.00 -0.21 0.00 0.00 178.00 178.58 3hta n ALA 76 N -2.67 0.75 0.26 -0.75 0.00 -1.26 -0.15 120.51 116.69 3hta n ALA 76 Ca 0.14 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.85 3hta n ALA 76 Cb 0.79 -0.91 0.64 0.00 0.00 0.00 0.00 19.45 19.97 3hta n ALA 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hta h LEU 77 N 0.00 0.00 -3.64 0.00 5.85 -1.58 -2.90 115.31 113.05 3hta h LEU 77 Ca 0.00 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.28 3hta h LEU 77 Cb 0.39 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.13 3hta h LEU 77 CO 0.00 0.10 -0.34 -1.20 -0.34 0.00 0.00 178.44 176.67 3hta n SER 78 N -3.29 4.56 -3.88 1.25 7.64 0.79 -4.90 113.62 115.80 3hta n SER 78 Ca -0.00 -3.78 -0.30 0.00 1.01 0.00 0.00 58.87 55.79 3hta n SER 78 Cb 0.33 -0.53 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 3hta n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hta s ASP 79 N -3.03 4.10 0.12 6.43 3.68 -1.09 -5.00 116.67 121.87 3hta s ASP 79 Ca 0.51 -1.57 0.05 0.00 2.13 0.00 0.00 52.55 53.67 3hta s ASP 79 Cb 0.42 -1.15 0.26 0.00 -1.45 0.00 0.00 42.92 41.00 3hta s ASP 79 CO 0.01 -0.34 0.98 -0.81 0.13 0.00 0.00 175.17 175.14 3hta n PRO 80 N 4.65 0.03 0.00 4.34 -0.04 -1.26 -0.36 135.00 142.36 3hta n PRO 80 Ca -0.04 0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.78 3hta n PRO 80 Cb 0.43 -1.85 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 3hta n PRO 80 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hta n GLU 81 N -1.58 0.63 -1.90 0.54 -0.58 -1.26 -4.91 120.64 111.58 3hta n GLU 81 Ca -0.00 0.21 -0.33 0.00 -0.42 0.00 0.00 57.16 56.61 3hta n GLU 81 Cb 0.25 -1.77 0.03 0.00 -0.57 0.00 0.00 31.44 29.38 3hta n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hta s ALA 82 N -2.81 2.58 -0.54 0.62 0.00 0.51 -4.96 121.76 117.16 3hta s ALA 82 Ca -0.04 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 3hta s ALA 82 Cb 0.08 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.94 3hta s ALA 82 CO 0.82 -1.07 1.07 0.34 0.00 0.00 0.00 175.76 176.92 3hta s ASP 83 N -2.55 6.44 0.19 0.00 2.15 -1.26 -4.93 116.67 116.71 3hta s ASP 83 Ca 0.67 0.01 -0.14 0.00 0.43 0.00 0.00 52.55 53.51 3hta s ASP 83 Cb -0.19 -2.50 0.19 0.00 -0.30 0.00 0.00 42.92 40.11 3hta s ASP 83 CO 0.38 -1.32 1.65 0.25 -0.17 0.00 0.00 175.17 175.96 3hta h LEU 84 N 11.38 -0.44 -0.02 -1.34 5.85 -1.91 0.36 115.31 129.19 3hta h LEU 84 Ca -0.25 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hta h LEU 84 Cb 1.06 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hta h LEU 84 CO 1.13 -0.16 0.01 0.28 -0.34 0.00 0.00 178.44 179.36 3hta h SER 85 N 0.02 0.02 -0.19 1.25 0.02 -1.91 -0.59 113.55 112.17 3hta h SER 85 Ca 0.26 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3hta h SER 85 Cb 0.40 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3hta h SER 85 CO -0.53 0.17 -0.07 1.23 -1.14 0.00 0.00 176.83 176.49 3hta h GLY 86 N -0.13 0.10 0.97 -3.77 0.00 -1.70 0.15 103.07 98.69 3hta h GLY 86 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3hta h GLY 86 CO -0.00 -0.10 0.18 -2.09 0.00 0.00 0.00 176.54 174.53 3hta h GLU 87 N -0.04 0.74 -0.59 4.80 4.57 -0.92 -2.41 114.58 120.72 3hta h GLU 87 Ca 0.10 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3hta h GLU 87 Cb 0.19 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3hta h GLU 87 CO -0.22 0.68 0.39 1.25 -1.18 0.00 0.00 179.01 179.93 3hta h LEU 88 N 0.65 0.57 -0.84 1.64 5.85 -0.67 0.13 115.31 122.65 3hta h LEU 88 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hta h LEU 88 Cb 0.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3hta h LEU 88 CO -0.01 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 3hta h ALA 89 N 1.66 1.00 0.11 1.25 0.00 -0.50 -2.70 119.26 120.08 3hta h ALA 89 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3hta h ALA 89 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hta h ALA 89 CO -0.07 0.00 -0.74 0.00 0.00 0.00 0.00 179.25 178.44 3hta h ARG 90 N 0.00 0.24 -0.78 0.00 3.08 -0.39 -2.81 114.38 113.71 3hta h ARG 90 Ca 0.00 -0.40 0.10 0.00 0.07 0.00 0.00 59.98 59.74 3hta h ARG 90 Cb 0.62 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.75 3hta h ARG 90 CO 0.00 1.19 0.43 0.28 -1.07 0.00 0.00 179.97 180.80 3hta h VAL 91 N -0.49 0.88 -0.52 2.04 2.07 -1.11 0.36 116.25 119.47 3hta h VAL 91 Ca -0.14 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3hta h VAL 91 Cb 1.54 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3hta h VAL 91 CO 0.11 0.13 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 3hta h LEU 92 N 0.71 0.93 -0.75 2.57 3.38 -1.57 -1.38 115.31 119.19 3hta h LEU 92 Ca 0.38 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3hta h LEU 92 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hta h LEU 92 CO -0.26 1.03 0.09 1.23 0.09 0.00 0.00 178.44 180.62 3hta h GLY 93 N 0.81 1.12 0.59 0.83 0.00 -1.06 0.16 103.07 105.52 3hta h GLY 93 Ca 0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3hta h GLY 93 CO 0.03 0.68 -0.12 -2.09 0.00 0.00 0.00 176.54 175.05 3hta h GLU 94 N 0.97 -0.33 -0.04 4.80 4.81 -0.85 0.15 114.58 124.11 3hta h GLU 94 Ca 0.19 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 3hta h GLU 94 Cb 0.43 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 3hta h GLU 94 CO 0.01 0.02 -0.26 2.35 -0.73 0.00 0.00 179.01 180.40 3hta h TRP 95 N -0.75 -0.71 -0.12 0.92 7.01 -1.23 -0.85 115.95 120.21 3hta h TRP 95 Ca -0.03 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 3hta h TRP 95 Cb 0.50 0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 3hta h TRP 95 CO 0.04 -0.35 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.22 3hta h LEU 96 N -0.38 0.16 0.00 0.65 3.38 -1.00 -2.17 115.31 115.95 3hta h LEU 96 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hta h LEU 96 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hta h LEU 96 CO -0.26 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3hta n GLY 97 N -1.15 -0.84 0.77 0.83 0.00 0.53 -4.84 105.19 100.49 3hta n GLY 97 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 3hta n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hta n GLY 98 N 0.66 -0.63 3.67 -0.02 0.00 -0.82 -4.91 105.19 103.14 3hta n GLY 98 Ca 0.20 -1.76 -0.55 0.00 0.00 0.00 0.00 46.02 43.90 3hta n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hta n ASP 99 N -3.11 2.55 -0.29 1.61 2.03 -1.26 -4.84 116.55 113.23 3hta n ASP 99 Ca 0.03 0.97 -0.05 0.00 0.52 0.00 0.00 54.79 56.26 3hta n ASP 99 Cb 0.12 -1.20 0.07 0.00 -0.72 0.00 0.00 41.12 39.39 3hta n ASP 99 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3hta h ARG 100 N 8.29 1.08 -0.47 -0.67 9.65 -1.91 -1.76 114.38 128.60 3hta h ARG 100 Ca -0.44 -0.11 0.01 0.00 -1.10 0.00 0.00 59.98 58.34 3hta h ARG 100 Cb 1.31 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 3hta h ARG 100 CO 0.97 0.78 0.31 1.15 2.80 0.00 0.00 179.97 185.98 3hta h THR 101 N 1.08 1.12 -0.18 0.20 2.02 -1.96 0.30 112.91 115.49 3hta h THR 101 Ca 0.28 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 67.05 3hta h THR 101 Cb -0.01 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3hta h THR 101 CO -0.05 0.11 -0.65 1.23 0.37 0.00 0.00 175.52 176.54 3hta h GLY 102 N 0.63 0.75 0.85 2.16 0.00 -1.82 -1.87 103.07 103.77 3hta h GLY 102 Ca 0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 3hta h GLY 102 CO -0.04 0.86 -0.04 -2.08 0.00 0.00 0.00 176.54 175.24 3hta h VAL 103 N 0.50 1.28 -0.41 4.60 2.07 -0.39 -1.55 116.25 122.35 3hta h VAL 103 Ca -0.01 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3hta h VAL 103 Cb 1.24 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3hta h VAL 103 CO 0.13 0.32 0.20 -0.33 0.02 0.00 0.00 177.57 177.91 3hta h GLU 104 N 0.22 0.58 -0.22 1.57 5.08 -0.44 -1.38 114.58 119.99 3hta h GLU 104 Ca 0.07 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3hta h GLU 104 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hta h GLU 104 CO 0.02 0.50 -0.38 1.37 -1.00 0.00 0.00 179.01 179.53 3hta h LEU 105 N 0.52 0.51 -0.42 1.33 8.10 -1.33 0.90 115.31 124.92 3hta h LEU 105 Ca 0.14 -0.21 -0.07 0.00 0.11 0.00 0.00 57.88 57.85 3hta h LEU 105 Cb 0.11 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.17 3hta h LEU 105 CO -0.02 0.84 0.00 -0.08 -4.11 0.00 0.00 178.44 175.07 3hta h GLU 106 N 0.41 0.74 0.00 0.17 4.81 -1.12 -2.53 114.58 117.05 3hta h GLU 106 Ca 0.04 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 3hta h GLU 106 Cb 0.85 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3hta h GLU 106 CO 0.07 0.82 -0.24 -0.92 -0.73 0.00 0.00 179.01 178.00 3hta h TYR 107 N 0.57 0.00 -0.14 0.92 5.03 -1.07 -2.94 116.97 119.35 3hta h TYR 107 Ca 0.12 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.21 3hta h TYR 107 Cb 0.48 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.77 3hta h TYR 107 CO 0.04 0.24 -0.77 1.49 -1.32 0.00 0.00 178.16 177.84 3hta h GLU 108 N 0.00 0.70 -0.28 1.82 4.81 -0.44 -1.60 114.58 119.59 3hta h GLU 108 Ca -0.00 -0.57 -0.16 0.00 -0.13 0.00 0.00 59.36 58.50 3hta h GLU 108 Cb 0.85 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 3hta h GLU 108 CO 0.03 1.19 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.98 3hta h LEU 109 N 0.48 0.87 0.10 1.64 3.38 -1.48 -1.62 115.31 118.69 3hta h LEU 109 Ca -0.05 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.43 3hta h LEU 109 Cb 1.38 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3hta h LEU 109 CO 0.15 1.22 -0.38 0.22 0.09 0.00 0.00 178.44 179.74 3hta h TYR 110 N 0.55 -1.07 0.00 1.13 3.20 -1.50 -0.64 116.97 118.65 3hta h TYR 110 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hta h TYR 110 Cb 1.04 0.46 0.00 0.00 1.54 0.00 0.00 36.73 39.77 3hta h TYR 110 CO 0.08 -0.48 0.00 -0.07 -1.64 0.00 0.00 178.16 176.04 3hta h LEU 111 N -0.61 0.00 -2.57 2.82 3.38 -1.27 -2.34 115.31 114.72 3hta h LEU 111 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hta h LEU 111 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hta h LEU 111 CO -0.24 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.29 3hta h ALA 112 N 2.07 1.00 0.00 1.53 0.00 -0.08 -2.14 119.26 121.63 3hta h ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hta h ALA 112 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hta h ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3hta n ALA 113 N -2.04 1.46 0.24 0.00 0.00 -0.88 -3.33 120.51 115.96 3hta n ALA 113 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 3hta n ALA 113 Cb 0.10 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 3hta n ALA 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hta h LEU 114 N 0.00 -1.23-10.20 0.00 5.85 -1.64 -3.41 115.31 104.69 3hta h LEU 114 Ca 0.00 0.11 -0.52 0.00 0.84 0.00 0.00 57.88 58.31 3hta h LEU 114 Cb 0.16 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3hta h LEU 114 CO 0.00 -0.58 -0.36 -0.13 -0.34 0.00 0.00 178.44 177.03 3hta s ARG 115 N -5.92 2.41 -0.24 1.25 0.52 -1.21 -4.86 118.95 110.90 3hta s ARG 115 Ca -0.17 -1.70 -0.08 0.00 -0.52 0.00 0.00 55.73 53.26 3hta s ARG 115 Cb 0.05 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.26 3hta s ARG 115 CO 0.62 -0.32 0.29 -2.13 0.02 0.00 0.00 175.30 173.79 3hta n ARG 116 N -1.59 -1.55 0.12 3.54 0.63 -1.26 -4.88 116.66 111.67 3hta n ARG 116 Ca 0.02 1.55 0.18 0.00 -0.92 0.00 0.00 57.85 58.69 3hta n ARG 116 Cb 0.63 -3.94 0.76 0.00 0.45 0.00 0.00 32.46 30.36 3hta n ARG 116 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3hta h PRO 117 N 1.31 0.00 0.00 -0.14 0.11 -1.89 -3.07 132.00 128.32 3hta h PRO 117 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3hta h PRO 117 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3hta h PRO 117 CO 0.11 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.68 3hta h ALA 118 N 1.69 1.19 -0.00 -0.75 0.00 -1.93 -2.84 119.26 116.63 3hta h ALA 118 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hta h ALA 118 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hta h ALA 118 CO -0.00 0.27 -0.10 1.28 0.00 0.00 0.00 179.25 180.70 3hta n LEU 119 N -3.63 0.11 -0.07 0.00 4.32 -1.16 -4.06 117.00 112.50 3hta n LEU 119 Ca -0.01 0.39 -0.10 0.00 -0.02 0.00 0.00 56.01 56.27 3hta n LEU 119 Cb 0.35 -0.44 -0.03 0.00 -1.62 0.00 0.00 43.42 41.68 3hta n LEU 119 CO 0.33 0.03 0.93 0.03 -1.22 0.00 0.00 177.39 177.49 3hta h ARG 120 N 0.01 0.35 -0.16 3.23 3.08 -1.69 0.48 114.38 119.68 3hta h ARG 120 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3hta h ARG 120 Cb 0.49 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3hta h ARG 120 CO 0.00 0.30 0.14 -1.35 -1.07 0.00 0.00 179.97 178.00 3hta h PRO 121 N 0.30 0.00 0.16 0.04 0.11 -1.78 0.16 132.00 130.99 3hta h PRO 121 Ca 0.09 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.89 3hta h PRO 121 Cb 0.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.17 3hta h PRO 121 CO -0.01 0.00 -1.48 0.28 -0.21 0.00 0.00 178.00 176.57 3hta h VAL 122 N 0.00 1.23 -0.09 3.15 2.07 -1.63 -2.68 116.25 118.30 3hta h VAL 122 Ca 0.08 -2.80 -0.07 0.00 0.82 0.00 0.00 66.70 64.72 3hta h VAL 122 Cb 0.36 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3hta h VAL 122 CO -0.00 0.84 -0.28 0.00 0.02 0.00 0.00 177.57 178.15 3hta h ALA 123 N 0.40 1.35 -0.15 1.67 0.00 0.31 -2.08 119.26 120.76 3hta h ALA 123 Ca -0.23 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3hta h ALA 123 Cb 2.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 3hta h ALA 123 CO 0.20 0.45 -0.49 0.00 0.00 0.00 0.00 179.25 179.41 3hta h ALA 124 N 1.56 0.88 -0.26 0.00 0.00 -0.75 -3.19 119.26 117.51 3hta h ALA 124 Ca 0.02 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.51 3hta h ALA 124 Cb 0.59 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3hta h ALA 124 CO 0.04 0.66 -0.09 0.93 0.00 0.00 0.00 179.25 180.79 3hta h GLU 125 N 0.32 -0.04 -0.26 0.00 5.08 -1.02 0.35 114.58 119.02 3hta h GLU 125 Ca 0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3hta h GLU 125 Cb 0.97 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 3hta h GLU 125 CO 0.08 -0.03 -0.00 2.35 -1.00 0.00 0.00 179.01 180.41 3hta h TRP 126 N -0.04 -0.02 -0.09 4.33 7.01 -1.54 -0.63 115.95 124.98 3hta h TRP 126 Ca 0.13 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.17 3hta h TRP 126 Cb 0.24 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 3hta h TRP 126 CO -0.28 -0.04 -0.01 0.00 -2.79 0.00 0.00 178.44 175.32 3hta h ALA 127 N 1.22 0.07 0.00 2.65 0.00 -1.34 -2.58 119.26 119.29 3hta h ALA 127 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hta h ALA 127 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hta h ALA 127 CO -0.21 -0.47 0.00 1.05 0.00 0.00 0.00 179.25 179.62 3hta h GLU 128 N 0.02 0.00 -0.06 0.00 4.11 -0.84 0.95 114.58 118.76 3hta h GLU 128 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 3hta h GLU 128 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hta h GLU 128 CO -0.08 0.00 -0.06 0.78 0.07 0.00 0.00 179.01 179.73 3hta h GLY 129 N 2.97 0.16 0.71 1.06 0.00 -0.84 -0.13 103.07 106.99 3hta h GLY 129 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3hta h GLY 129 CO 0.00 0.14 -0.06 -2.08 0.00 0.00 0.00 176.54 174.55 3hta h VAL 130 N -0.30 1.32 -0.82 4.60 2.07 -1.38 -2.91 116.25 118.83 3hta h VAL 130 Ca 0.01 -1.09 0.11 0.00 0.82 0.00 0.00 66.70 66.54 3hta h VAL 130 Cb 0.56 1.80 -0.08 0.00 -1.52 0.00 0.00 31.29 32.05 3hta h VAL 130 CO 0.01 0.31 0.46 1.23 0.02 0.00 0.00 177.57 179.60 3hta h GLY 131 N -0.11 1.29 2.00 2.17 0.00 -0.80 0.87 103.07 108.48 3hta h GLY 131 Ca 0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3hta h GLY 131 CO 0.02 0.09 -0.29 0.00 0.00 0.00 0.00 176.54 176.36 3hta h ALA 132 N 1.48 1.17 -0.14 3.60 0.00 -1.02 -1.97 119.26 122.38 3hta h ALA 132 Ca 0.41 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hta h ALA 132 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hta h ALA 132 CO -0.27 0.36 -0.45 1.25 0.00 0.00 0.00 179.25 180.14 3hta h LEU 133 N 0.00 0.63 -1.39 0.00 5.85 -0.68 -3.09 115.31 116.64 3hta h LEU 133 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 3hta h LEU 133 Cb 0.66 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3hta h LEU 133 CO 0.04 1.13 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.13 3hta h LEU 134 N 0.17 0.00 -1.93 2.25 4.07 -1.04 -2.99 115.31 115.84 3hta h LEU 134 Ca -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3hta h LEU 134 Cb 1.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 3hta h LEU 134 CO 0.10 0.07 -0.12 0.00 -1.08 0.00 0.00 178.44 177.41 3hta h ALA 135 N 1.93 1.34 0.00 1.53 0.00 -1.27 0.10 119.26 122.90 3hta h ALA 135 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hta h ALA 135 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hta h ALA 135 CO 0.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3hta n ALA 136 N -2.31 2.19 -0.06 0.00 0.00 -1.13 -3.92 120.51 115.29 3hta n ALA 136 Ca -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 3hta n ALA 136 Cb 0.22 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 3hta n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hta n ARG 137 N -1.61 1.12 -4.23 0.00 5.12 -0.08 -5.04 116.66 111.94 3hta n ARG 137 Ca 0.06 0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.86 3hta n ARG 137 Cb 0.32 -1.25 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 3hta n ARG 137 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3hta s THR 138 N -2.25 0.00 0.70 0.55 -1.32 0.16 -5.11 115.64 108.37 3hta s THR 138 Ca -0.12 -1.96 -0.13 0.00 -1.21 0.00 0.00 61.69 58.27 3hta s THR 138 Cb 0.04 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.55 3hta s THR 138 CO 0.34 0.00 1.10 1.51 -2.21 0.00 0.00 174.62 175.36 3hta s ASP 139 N -3.27 4.91 0.33 8.08 1.47 -1.26 -4.22 116.67 122.71 3hta s ASP 139 Ca 0.39 1.93 0.10 0.00 1.18 0.00 0.00 52.55 56.15 3hta s ASP 139 Cb 0.04 -2.54 0.88 0.00 -0.34 0.00 0.00 42.92 40.96 3hta s ASP 139 CO 0.21 -1.76 1.75 -0.65 0.68 0.00 0.00 175.17 175.40 3hta h PRO 140 N -0.38 0.58 -0.28 2.11 0.11 -1.93 0.39 132.00 132.61 3hta h PRO 140 Ca -0.46 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3hta h PRO 140 Cb 1.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hta h PRO 140 CO 0.53 0.39 -0.41 1.15 -0.21 0.00 0.00 178.00 179.44 3hta h THR 141 N 0.60 1.29 -0.14 -1.15 2.02 -1.99 -1.49 112.91 112.05 3hta h THR 141 Ca 0.61 -1.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.07 3hta h THR 141 Cb 1.17 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3hta h THR 141 CO -0.41 0.52 -0.45 0.74 0.37 0.00 0.00 175.52 176.28 3hta h THR 142 N 0.52 1.32 -0.18 3.16 2.02 -1.76 -1.78 112.91 116.22 3hta h THR 142 Ca 0.03 -1.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 3hta h THR 142 Cb 1.01 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3hta h THR 142 CO 0.10 0.49 0.08 0.00 0.37 0.00 0.00 175.52 176.56 3hta h ALA 143 N 1.24 0.24 0.00 6.16 0.00 -0.67 -0.31 119.26 125.92 3hta h ALA 143 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hta h ALA 143 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3hta h ALA 143 CO 0.08 -0.19 -0.19 0.07 0.00 0.00 0.00 179.25 179.01 3hta h ARG 144 N 0.16 0.00 -0.35 0.00 0.11 -1.25 -2.44 114.38 110.61 3hta h ARG 144 Ca 0.06 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.04 3hta h ARG 144 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 3hta h ARG 144 CO -0.01 0.19 -0.18 0.00 0.10 0.00 0.00 179.97 180.07 3hta h ALA 145 N 1.81 0.50 -0.72 0.08 0.00 -1.08 -2.34 119.26 117.50 3hta h ALA 145 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3hta h ALA 145 Cb 1.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3hta h ALA 145 CO 0.02 0.44 0.32 -0.07 0.00 0.00 0.00 179.25 179.96 3hta h LEU 146 N 0.53 0.96 -0.93 0.00 3.38 -0.94 -1.86 115.31 116.45 3hta h LEU 146 Ca 0.08 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3hta h LEU 146 Cb 0.73 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hta h LEU 146 CO 0.05 0.83 0.05 0.58 0.09 0.00 0.00 178.44 180.04 3hta h VAL 147 N 1.04 1.24 -0.00 1.22 2.07 -1.25 -1.49 116.25 119.08 3hta h VAL 147 Ca 0.25 -0.95 -0.19 0.00 0.82 0.00 0.00 66.70 66.62 3hta h VAL 147 Cb 0.15 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hta h VAL 147 CO -0.03 0.34 -0.86 0.00 0.02 0.00 0.00 177.57 177.04 3hta h ALA 148 N 1.27 0.54 0.12 1.67 0.00 -1.10 -2.77 119.26 118.98 3hta h ALA 148 Ca 0.16 -0.72 -0.29 0.00 0.00 0.00 0.00 54.91 54.06 3hta h ALA 148 Cb 0.40 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hta h ALA 148 CO 0.01 0.91 -1.24 0.28 0.00 0.00 0.00 179.25 179.21 3hta h VAL 149 N 0.11 1.31 0.00 0.00 2.07 -1.18 -1.52 116.25 117.04 3hta h VAL 149 Ca -0.04 -2.53 -0.07 0.00 0.82 0.00 0.00 66.70 64.89 3hta h VAL 149 Cb 1.48 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.96 3hta h VAL 149 CO 0.13 0.76 -0.31 0.17 0.02 0.00 0.00 177.57 178.34 3hta h LEU 150 N 0.25 0.00 -0.18 2.57 8.10 -1.35 0.95 115.31 125.65 3hta h LEU 150 Ca -0.18 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.66 3hta h LEU 150 Cb 1.91 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.14 3hta h LEU 150 CO 0.23 0.31 -0.46 -0.78 -4.11 0.00 0.00 178.44 173.63 3hta h ASP 151 N 0.00 0.71 0.73 0.17 3.58 -1.45 -1.85 116.42 118.32 3hta h ASP 151 Ca -0.00 -0.58 -0.06 0.00 0.42 0.00 0.00 57.03 56.81 3hta h ASP 151 Cb 0.77 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 3hta h ASP 151 CO 0.04 1.16 -0.29 1.23 -2.88 0.00 0.00 179.24 178.50 3hta h GLY 152 N 0.30 0.00 1.40 -0.78 0.00 -0.87 -1.39 103.07 101.73 3hta h GLY 152 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3hta h GLY 152 CO 0.10 0.00 -0.84 -2.22 0.00 0.00 0.00 176.54 173.59 3hta h ILE 153 N 0.00 1.34 -0.17 2.60 2.04 -0.65 -0.84 117.51 121.83 3hta h ILE 153 Ca -0.00 -2.17 -0.04 0.00 1.00 0.00 0.00 64.86 63.65 3hta h ILE 153 Cb 0.73 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3hta h ILE 153 CO 0.04 0.66 -0.06 0.00 0.00 0.00 0.00 178.15 178.79 3hta h LEU 155 N 0.04 0.58 -1.68 0.00 5.85 -1.27 -0.92 115.31 117.91 3hta h LEU 155 Ca 0.04 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.90 3hta h LEU 155 Cb 0.51 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3hta h LEU 155 CO 0.02 0.39 0.42 -0.61 -0.34 0.00 0.00 178.44 178.32 3hta h GLN 156 N 0.71 0.33 0.16 1.25 4.15 -0.98 0.04 115.11 120.78 3hta h GLN 156 Ca 0.27 -0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.41 3hta h GLN 156 Cb 0.11 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 27.74 3hta h GLN 156 CO -0.14 0.22 -1.23 0.28 -1.93 0.00 0.00 178.83 176.03 3hta h VAL 157 N 0.34 1.26 0.00 2.39 2.07 -0.94 -3.15 116.25 118.22 3hta h VAL 157 Ca 0.30 -2.53 -0.15 0.00 0.82 0.00 0.00 66.70 65.14 3hta h VAL 157 Cb 0.70 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 3hta h VAL 157 CO -0.08 0.75 -0.69 -0.07 0.02 0.00 0.00 177.57 177.50 3hta h LEU 158 N -0.20 0.00 0.00 2.57 -0.00 -0.96 -2.80 115.31 113.93 3hta h LEU 158 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 3hta h LEU 158 Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.49 3hta h LEU 158 CO 0.15 0.69 -0.75 -0.11 -0.00 0.00 0.00 178.44 178.43 3hta n LEU 159 N -3.52 0.63 0.00 1.67 7.94 -0.02 -4.39 117.00 119.31 3hta n LEU 159 Ca -0.00 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3hta n LEU 159 Cb 0.73 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.51 3hta n LEU 159 CO 0.43 0.02 -0.14 1.07 -1.11 0.00 0.00 177.39 177.66 3hta n THR 160 N -1.92 0.00 0.00 1.96 5.66 -1.19 -5.01 114.28 113.78 3hta n THR 160 Ca 0.03 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 3hta n THR 160 Cb 0.41 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 3hta n THR 160 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hta n ASP 161 N -1.05 0.00 -4.65 1.09 8.00 -1.06 -4.99 116.55 113.90 3hta n ASP 161 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3hta n ASP 161 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3hta n ASP 161 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hta s THR 162 N -2.78 3.30 0.85 -3.53 2.01 -1.26 -4.94 115.64 109.29 3hta s THR 162 Ca 0.00 0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 3hta s THR 162 Cb 0.00 -3.25 0.11 0.00 0.01 0.00 0.00 72.50 69.37 3hta s THR 162 CO 0.00 -0.06 1.18 -2.16 -0.69 0.00 0.00 174.62 172.89 3hta s PRO 163 N 4.52 1.38 0.31 4.92 0.04 -1.26 -4.49 135.00 140.43 3hta s PRO 163 Ca 0.82 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 3hta s PRO 163 Cb -0.36 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 3hta s PRO 163 CO 0.35 -2.38 1.38 -0.47 0.04 0.00 0.00 177.00 175.92 3hta s TYR 164 N -2.38 2.96 -0.39 0.56 5.04 -1.26 -4.99 117.35 116.89 3hta s TYR 164 Ca 0.70 1.25 0.03 0.00 -2.44 0.00 0.00 57.07 56.61 3hta s TYR 164 Cb -0.26 -3.78 0.11 0.00 0.35 0.00 0.00 41.96 38.38 3hta s TYR 164 CO 0.54 -2.30 0.14 0.34 -1.34 0.00 0.00 175.55 172.92 3hta s ASP 165 N -0.15 4.30 0.31 4.32 -1.08 -1.26 -5.01 116.67 118.09 3hta s ASP 165 Ca 0.53 -2.29 -0.00 0.00 -0.52 0.00 0.00 52.55 50.26 3hta s ASP 165 Cb -0.41 -1.34 0.50 0.00 -1.46 0.00 0.00 42.92 40.21 3hta s ASP 165 CO 0.51 -0.34 1.95 -0.08 0.52 0.00 0.00 175.17 177.74 3hta h GLU 166 N 7.34 1.02 -0.23 4.34 4.81 -1.94 -1.34 114.58 128.58 3hta h GLU 166 Ca -0.07 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 3hta h GLU 166 Cb 0.98 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3hta h GLU 166 CO 0.54 0.68 -0.16 1.49 -0.73 0.00 0.00 179.01 180.82 3hta h GLU 167 N 1.05 0.40 0.02 1.92 4.81 -1.96 0.92 114.58 121.74 3hta h GLU 167 Ca 0.33 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3hta h GLU 167 Cb 0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3hta h GLU 167 CO -0.09 0.55 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.81 3hta h TYR 168 N 0.37 -0.03 0.00 0.92 3.20 -1.78 -2.42 116.97 117.22 3hta h TYR 168 Ca 0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3hta h TYR 168 Cb 0.50 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3hta h TYR 168 CO 0.01 0.39 -0.21 0.00 -1.64 0.00 0.00 178.16 176.71 3hta h ALA 169 N 0.51 1.36 0.11 1.82 0.00 -1.00 -1.60 119.26 120.45 3hta h ALA 169 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hta h ALA 169 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hta h ALA 169 CO 0.00 0.27 -0.05 -0.09 0.00 0.00 0.00 179.25 179.38 3hta h ARG 170 N 0.00 -0.14 0.28 0.00 2.43 -0.73 -2.66 114.38 113.55 3hta h ARG 170 Ca -0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hta h ARG 170 Cb 0.46 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3hta h ARG 170 CO 0.03 0.25 -0.13 1.49 -1.51 0.00 0.00 179.97 180.09 3hta h GLU 171 N -0.57 -0.36 -0.77 0.20 4.81 -1.24 -2.05 114.58 114.59 3hta h GLU 171 Ca -0.02 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 3hta h GLU 171 Cb 0.46 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.80 3hta h GLU 171 CO 0.02 -0.19 0.20 0.28 -0.73 0.00 0.00 179.01 178.59 3hta h VAL 172 N -0.45 0.48 -0.39 0.32 2.07 -1.37 -1.01 116.25 115.90 3hta h VAL 172 Ca -0.04 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 3hta h VAL 172 Cb 0.34 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3hta h VAL 172 CO 0.06 0.05 -0.21 -0.07 0.02 0.00 0.00 177.57 177.43 3hta h LEU 173 N 0.27 0.85 -1.80 2.57 3.38 -1.37 -2.97 115.31 116.25 3hta h LEU 173 Ca 0.45 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3hta h LEU 173 Cb 0.79 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3hta h LEU 173 CO -0.54 1.08 0.39 0.74 0.09 0.00 0.00 178.44 180.20 3hta h THR 174 N 0.63 0.82 0.00 0.22 2.02 -0.46 0.43 112.91 116.56 3hta h THR 174 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3hta h THR 174 Cb 0.76 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3hta h THR 174 CO 0.06 0.04 0.00 0.54 0.37 0.00 0.00 175.52 176.53 3hta n ARG 175 N -4.44 0.08 -0.00 6.66 1.74 -0.86 -2.34 116.66 117.49 3hta n ARG 175 Ca 0.10 0.38 0.10 0.00 -0.77 0.00 0.00 57.85 57.66 3hta n ARG 175 Cb 0.48 -1.67 -0.12 0.00 -1.02 0.00 0.00 32.46 30.13 3hta n ARG 175 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hta n LEU 176 N -1.82 0.91 -4.66 0.55 4.77 0.14 -4.93 117.00 111.96 3hta n LEU 176 Ca 0.02 -0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 55.15 3hta n LEU 176 Cb 0.15 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3hta n LEU 176 CO 0.13 0.23 0.29 -0.63 -1.33 0.00 0.00 177.39 176.08 3hta s ILE 177 N -3.05 5.07 0.36 -0.08 1.01 -0.99 -4.88 121.20 118.65 3hta s ILE 177 Ca 0.07 1.02 -0.28 0.00 0.00 0.00 0.00 60.65 61.45 3hta s ILE 177 Cb 0.16 -3.87 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 3hta s ILE 177 CO 0.87 0.14 1.42 -2.65 0.00 0.00 0.00 174.94 174.73 3hta n PRO 178 N 4.97 2.48 -3.03 2.79 -0.02 -1.26 -4.98 135.00 135.94 3hta n PRO 178 Ca -0.04 0.87 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 3hta n PRO 178 Cb 0.50 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 3hta n PRO 178 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hta s VAL 179 N -1.02 4.77 0.66 -1.45 -7.23 -1.26 -5.04 120.40 109.83 3hta s VAL 179 Ca 0.55 0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 61.24 3hta s VAL 179 Cb -0.51 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 32.73 3hta s VAL 179 CO 0.62 -0.35 1.10 -0.81 -0.31 0.00 0.00 175.10 175.35 3hta n PRO 180 N -0.84 0.86 -1.91 4.82 -0.04 -1.26 -5.03 135.00 131.59 3hta n PRO 180 Ca 0.02 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3hta n PRO 180 Cb 0.54 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3hta n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hta n ALA 181 N -2.05 0.00 0.05 0.55 0.00 -1.00 -4.98 120.51 113.08 3hta n ALA 181 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 3hta n ALA 181 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 3hta n ALA 181 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hta h THR 182 N 0.92 1.26 0.00 0.00 1.35 -2.08 0.63 112.91 114.99 3hta h THR 182 Ca 0.00 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 3hta h THR 182 Cb 0.00 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3hta h THR 182 CO 0.00 0.72 0.00 0.08 -0.25 0.00 0.00 175.52 176.07 3hta h ARG 183 N 0.00 0.00 0.00 4.72 0.11 -2.03 -3.57 114.38 113.61 3hta h ARG 183 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3hta h ARG 183 Cb 1.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.82 3hta h ARG 183 CO 0.10 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.92