#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghe s GLN 5 N 0.00 0.80 -0.09 0.00 -1.52 -0.17 -4.89 119.66 113.79 1ghe s GLN 5 Ca 0.00 -0.71 -0.27 0.00 -1.95 0.00 0.00 55.36 52.43 1ghe s GLN 5 Cb 0.00 -0.76 -0.02 0.00 -0.22 0.00 0.00 33.01 32.00 1ghe s GLN 5 CO 0.00 0.18 0.87 -1.17 -0.25 0.00 0.00 175.29 174.92 1ghe s LEU 6 N -1.14 4.27 -0.01 2.90 1.98 -1.26 -1.17 118.68 124.25 1ghe s LEU 6 Ca -0.01 1.37 0.02 0.00 -2.89 0.00 0.00 54.13 52.62 1ghe s LEU 6 Cb -0.08 -3.34 0.00 0.00 0.66 0.00 0.00 46.19 43.43 1ghe s LEU 6 CO 0.01 -0.30 -0.06 -0.13 -1.89 0.00 0.00 176.35 173.98 1ghe s ARG 7 N 1.49 0.57 -0.09 1.98 1.81 0.31 -5.00 118.95 120.03 1ghe s ARG 7 Ca 0.43 -0.20 -0.22 0.00 -1.72 0.00 0.00 55.73 54.02 1ghe s ARG 7 Cb -0.18 -0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 33.72 1ghe s ARG 7 CO 0.19 0.10 0.66 0.50 -0.68 0.00 0.00 175.30 176.06 1ghe s ARG 8 N 0.06 4.40 0.26 3.54 3.52 -1.26 -0.93 118.95 128.54 1ghe s ARG 8 Ca -0.00 0.79 -0.26 0.00 -0.13 0.00 0.00 55.73 56.13 1ghe s ARG 8 Cb -0.05 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.79 1ghe s ARG 8 CO -0.00 0.05 0.88 0.08 -0.81 0.00 0.00 175.30 175.50 1ghe s VAL 9 N 0.87 4.26 0.39 7.11 1.01 0.41 -4.97 120.40 129.47 1ghe s VAL 9 Ca 0.35 1.79 0.04 0.00 0.00 0.00 0.00 61.98 64.16 1ghe s VAL 9 Cb -0.17 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1ghe s VAL 9 CO 0.16 0.32 0.06 0.42 0.00 0.00 0.00 175.10 176.06 1ghe s THR 10 N -1.40 1.15 0.35 3.92 -4.23 -1.26 -4.60 115.64 109.57 1ghe s THR 10 Ca 0.44 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1ghe s THR 10 Cb -0.21 -2.62 0.30 0.00 1.34 0.00 0.00 72.50 71.31 1ghe s THR 10 CO 0.26 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.27 1ghe h ALA 11 N 1.87 1.70 -0.01 3.99 0.00 -1.93 -0.64 119.26 124.24 1ghe h ALA 11 Ca -0.40 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1ghe h ALA 11 Cb 1.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ghe h ALA 11 CO 0.69 0.16 -0.73 0.93 0.00 0.00 0.00 179.25 180.29 1ghe h GLU 12 N 0.79 0.11 -0.02 0.00 4.39 -2.01 -3.23 114.58 114.61 1ghe h GLU 12 Ca 0.35 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ghe h GLU 12 Cb 0.34 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1ghe h GLU 12 CO -0.13 0.79 -0.26 -1.13 -1.16 0.00 0.00 179.01 177.12 1ghe n SER 13 N -3.72 1.97 -0.10 1.42 3.41 -0.93 -4.47 113.62 111.21 1ghe n SER 13 Ca -0.02 -1.49 -0.06 0.00 -0.26 0.00 0.00 58.87 57.04 1ghe n SER 13 Cb 0.71 0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.91 1ghe n SER 13 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ghe h PHE 14 N 2.69 0.02 -0.84 7.33 3.57 -1.15 -2.25 116.94 126.31 1ghe h PHE 14 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1ghe h PHE 14 Cb 0.73 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1ghe h PHE 14 CO 0.00 -0.04 0.55 0.00 -2.23 0.00 0.00 178.31 176.59 1ghe h ALA 15 N 1.29 1.66 -0.50 2.41 0.00 -1.79 -0.22 119.26 122.11 1ghe h ALA 15 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ghe h ALA 15 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ghe h ALA 15 CO -0.26 0.18 0.16 1.25 0.00 0.00 0.00 179.25 180.59 1ghe h HIS 16 N 0.85 0.73 -0.01 0.00 -0.00 -1.70 -3.12 115.15 111.91 1ghe h HIS 16 Ca 0.38 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1ghe h HIS 16 Cb 0.36 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1ghe h HIS 16 CO -0.00 0.59 -0.76 0.66 -0.00 0.00 0.00 177.93 178.42 1ghe n TYR 17 N -4.32 0.00 -0.15 5.26 4.02 -0.71 -4.59 117.16 116.66 1ghe n TYR 17 Ca 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.88 1ghe n TYR 17 Cb 0.18 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1ghe n TYR 17 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1ghe h ARG 18 N 0.87 -0.10 -0.32 -0.72 2.43 -1.00 0.11 114.38 115.64 1ghe h ARG 18 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ghe h ARG 18 Cb 0.59 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1ghe h ARG 18 CO 0.00 -0.07 0.09 1.25 -1.51 0.00 0.00 179.97 179.74 1ghe h HIS 19 N -0.10 0.53 -0.54 2.20 2.76 -1.81 -1.20 115.15 116.99 1ghe h HIS 19 Ca 0.23 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 1ghe h HIS 19 Cb 0.46 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1ghe h HIS 19 CO -0.48 0.54 0.15 0.78 -1.30 0.00 0.00 177.93 177.62 1ghe h GLY 20 N 0.37 0.88 1.03 5.26 0.00 -1.64 0.30 103.07 109.27 1ghe h GLY 20 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1ghe h GLY 20 CO -0.00 0.46 -0.24 -2.00 0.00 0.00 0.00 176.54 174.76 1ghe h LEU 21 N 0.79 0.87 -0.48 3.11 5.85 -0.60 -1.08 115.31 123.78 1ghe h LEU 21 Ca 0.18 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ghe h LEU 21 Cb 0.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ghe h LEU 21 CO -0.01 1.11 0.27 0.00 -0.34 0.00 0.00 178.44 179.47 1ghe h ALA 22 N 0.79 0.62 -0.35 1.25 0.00 -0.82 -1.43 119.26 119.31 1ghe h ALA 22 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ghe h ALA 22 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ghe h ALA 22 CO 0.07 0.13 0.02 1.96 0.00 0.00 0.00 179.25 181.42 1ghe h GLN 23 N 0.64 0.53 -0.38 0.00 4.20 -0.86 -0.61 115.11 118.62 1ghe h GLN 23 Ca 0.17 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1ghe h GLN 23 Cb 0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1ghe h GLN 23 CO -0.03 0.55 0.04 1.25 -0.67 0.00 0.00 178.83 179.97 1ghe h LEU 24 N 0.51 0.62 -0.16 1.46 5.85 -0.53 0.54 115.31 123.61 1ghe h LEU 24 Ca 0.11 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1ghe h LEU 24 Cb 0.31 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1ghe h LEU 24 CO 0.01 0.74 0.09 0.25 -0.34 0.00 0.00 178.44 179.18 1ghe h LEU 25 N 0.48 0.20 -0.02 2.25 5.85 -1.00 -0.90 115.31 122.17 1ghe h LEU 25 Ca 0.11 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ghe h LEU 25 Cb 0.39 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1ghe h LEU 25 CO 0.01 0.23 -0.25 0.15 -0.34 0.00 0.00 178.44 178.25 1ghe h PHE 26 N 0.15 -0.66 -0.16 1.25 3.57 -0.86 0.41 116.94 120.63 1ghe h PHE 26 Ca 0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1ghe h PHE 26 Cb 0.08 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ghe h PHE 26 CO -0.04 -0.34 -0.19 0.93 -2.23 0.00 0.00 178.31 176.45 1ghe h GLU 27 N -0.37 0.27 -0.25 1.11 4.39 -0.83 -1.08 114.58 117.81 1ghe h GLU 27 Ca 0.07 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 1ghe h GLU 27 Cb 0.47 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1ghe h GLU 27 CO -0.24 0.46 -0.44 1.15 -1.16 0.00 0.00 179.01 178.79 1ghe h THR 28 N 0.25 1.30 -0.27 1.13 2.02 -0.59 -0.84 112.91 115.91 1ghe h THR 28 Ca 0.05 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.54 1ghe h THR 28 Cb 0.49 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1ghe h THR 28 CO 0.03 0.52 -0.02 0.58 0.37 0.00 0.00 175.52 177.01 1ghe h VAL 29 N 0.48 1.26 0.00 3.16 2.07 -0.72 -2.43 116.25 120.08 1ghe h VAL 29 Ca 0.02 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1ghe h VAL 29 Cb 1.04 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1ghe h VAL 29 CO 0.10 0.31 0.00 1.41 0.02 0.00 0.00 177.57 179.41 1ghe n HIS 30 N -4.58 0.00 1.56 1.57 -0.00 -0.43 -1.32 115.22 112.02 1ghe n HIS 30 Ca -0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.83 1ghe n HIS 30 Cb 0.27 -0.47 0.63 0.00 -0.00 0.00 0.00 29.99 30.42 1ghe n HIS 30 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ghe n GLY 31 N 0.78 -0.54 0.15 -1.41 0.00 -0.32 -4.92 105.19 98.93 1ghe n GLY 31 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ghe n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ghe n GLY 32 N 1.18 0.62 3.81 -0.02 0.00 -0.44 -5.05 105.19 105.29 1ghe n GLY 32 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1ghe n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghe s ALA 33 N -2.09 2.94 -0.67 4.61 0.00 -0.95 -4.54 121.76 121.07 1ghe s ALA 33 Ca 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1ghe s ALA 33 Cb 0.00 -3.19 0.14 0.00 0.00 0.00 0.00 23.12 20.06 1ghe s ALA 33 CO 0.00 -0.22 0.72 -1.12 0.00 0.00 0.00 175.76 175.14 1ghe s SER 34 N -2.33 6.36 -0.15 0.00 0.01 -1.26 -4.45 113.70 111.87 1ghe s SER 34 Ca 0.64 -1.85 0.17 0.00 1.31 0.00 0.00 55.95 56.21 1ghe s SER 34 Cb -0.13 -2.27 0.44 0.00 0.21 0.00 0.00 66.02 64.26 1ghe s SER 34 CO 0.22 -0.94 1.19 1.33 0.41 0.00 0.00 173.24 175.45 1ghe n VAL 35 N 5.14 1.43 0.00 3.43 0.24 -1.26 -4.78 118.33 122.53 1ghe n VAL 35 Ca -0.02 -2.58 0.00 0.00 -2.04 0.00 0.00 64.34 59.70 1ghe n VAL 35 Cb 0.44 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1ghe n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ghe n GLY 36 N -0.49 0.51 0.00 7.63 0.00 -1.26 -5.02 105.19 106.56 1ghe n GLY 36 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ghe n GLY 36 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ghe n PHE 37 N -1.69 0.00 1.10 1.61 3.01 -1.26 -5.15 117.46 115.08 1ghe n PHE 37 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1ghe n PHE 37 Cb 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 39.48 39.78 1ghe n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ghe n ALA 39 N -3.00 3.35 1.55 4.37 0.00 -0.11 -4.20 120.51 122.48 1ghe n ALA 39 Ca 0.00 -0.37 0.15 0.00 0.00 0.00 0.00 53.44 53.22 1ghe n ALA 39 Cb 0.00 -1.13 0.70 0.00 0.00 0.00 0.00 19.45 19.02 1ghe n ALA 39 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ghe n ASP 40 N -1.15 0.40 -4.67 0.00 5.75 -1.26 -4.90 116.55 110.71 1ghe n ASP 40 Ca 0.08 -0.69 -0.47 0.00 -0.01 0.00 0.00 54.79 53.70 1ghe n ASP 40 Cb 0.34 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 1ghe n ASP 40 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ghe n LEU 41 N -0.90 3.29 0.00 -2.12 7.94 -1.26 -5.06 117.00 118.89 1ghe n LEU 41 Ca 0.17 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1ghe n LEU 41 Cb 0.24 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1ghe n LEU 41 CO 0.22 -0.17 0.00 -0.90 -1.11 0.00 0.00 177.39 175.43 1ghe n ASP 42 N 4.94 0.00 0.00 1.96 5.68 -1.26 -5.02 116.55 122.85 1ghe n ASP 42 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1ghe n ASP 42 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1ghe n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ghe n GLN 44 N 0.00 0.00 -0.16 0.11 3.00 -1.26 -1.60 117.38 117.47 1ghe n GLN 44 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1ghe n GLN 44 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.24 1ghe n GLN 44 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1ghe h GLN 45 N 0.00 0.97 -0.65 -1.09 4.20 -1.97 -1.73 115.11 114.84 1ghe h GLN 45 Ca 0.00 -0.40 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 1ghe h GLN 45 Cb 0.00 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1ghe h GLN 45 CO 0.00 1.07 0.13 0.00 -0.67 0.00 0.00 178.83 179.36 1ghe h ALA 46 N 0.88 1.00 -0.53 3.87 0.00 -1.64 -1.52 119.26 121.31 1ghe h ALA 46 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ghe h ALA 46 Cb 0.74 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ghe h ALA 46 CO 0.06 0.64 0.03 1.88 0.00 0.00 0.00 179.25 181.86 1ghe h TYR 47 N 0.99 0.93 -0.74 0.00 0.99 -1.80 -1.60 116.97 115.74 1ghe h TYR 47 Ca 0.20 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1ghe h TYR 47 Cb 0.39 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 37.83 1ghe h TYR 47 CO 0.03 0.83 0.28 0.00 -0.00 0.00 0.00 178.16 179.30 1ghe h ALA 48 N 1.21 1.09 -0.41 3.88 0.00 -0.88 0.52 119.26 124.66 1ghe h ALA 48 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ghe h ALA 48 Cb 0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ghe h ALA 48 CO 0.02 0.64 0.17 2.35 0.00 0.00 0.00 179.25 182.42 1ghe h TRP 49 N 1.09 0.62 -0.03 0.00 7.01 -0.92 -1.54 115.95 122.17 1ghe h TRP 49 Ca 0.25 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1ghe h TRP 49 Cb 0.23 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1ghe h TRP 49 CO 0.02 0.54 0.02 0.00 -2.79 0.00 0.00 178.44 176.23 1ghe h ASP 51 N 0.04 0.00 0.50 0.00 3.32 -0.78 -0.61 116.42 118.90 1ghe h ASP 51 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ghe h ASP 51 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ghe h ASP 51 CO -0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1ghe n GLY 52 N -1.41 -1.11 0.11 2.75 0.00 -0.59 -2.49 105.19 102.45 1ghe n GLY 52 Ca -0.03 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1ghe n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ghe n LEU 53 N -2.09 0.82 -0.18 0.99 4.77 -0.24 -4.53 117.00 116.53 1ghe n LEU 53 Ca 0.01 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.29 1ghe n LEU 53 Cb 0.17 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1ghe n LEU 53 CO 0.16 -0.16 0.99 0.50 -1.33 0.00 0.00 177.39 177.54 1ghe h LYS 54 N 0.00 0.40 -0.43 3.23 3.64 -1.55 -1.80 116.57 120.07 1ghe h LYS 54 Ca -0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1ghe h LYS 54 Cb 1.03 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1ghe h LYS 54 CO 0.00 0.26 0.13 0.00 -2.27 0.00 0.00 179.45 177.57 1ghe h ALA 55 N 1.36 0.56 -0.19 5.00 0.00 -1.79 -2.13 119.26 122.07 1ghe h ALA 55 Ca 0.27 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ghe h ALA 55 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ghe h ALA 55 CO -0.26 0.22 -0.30 -0.44 0.00 0.00 0.00 179.25 178.47 1ghe h ASP 56 N 0.55 0.38 -0.40 0.00 3.32 -1.79 -1.50 116.42 116.98 1ghe h ASP 56 Ca 0.14 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1ghe h ASP 56 Cb 0.28 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ghe h ASP 56 CO -0.00 0.67 0.07 0.40 -1.72 0.00 0.00 179.24 178.67 1ghe h ILE 57 N 0.33 1.24 -0.14 0.35 2.04 -1.13 -0.41 117.51 119.78 1ghe h ILE 57 Ca 0.04 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1ghe h ILE 57 Cb 0.70 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1ghe h ILE 57 CO 0.05 0.29 -0.32 0.00 0.00 0.00 0.00 178.15 178.17 1ghe h ALA 58 N 0.93 1.20 0.00 1.87 0.00 -1.15 -2.64 119.26 119.47 1ghe h ALA 58 Ca 0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1ghe h ALA 58 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ghe h ALA 58 CO 0.01 0.53 -0.57 0.00 0.00 0.00 0.00 179.25 179.22 1ghe h ALA 59 N 1.43 0.77 0.00 0.00 0.00 -1.07 -3.48 119.26 116.91 1ghe h ALA 59 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ghe h ALA 59 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ghe h ALA 59 CO 0.05 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1ghe n GLY 60 N 0.75 0.78 0.12 0.00 0.00 -0.21 -4.93 105.19 101.70 1ghe n GLY 60 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1ghe n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ghe h SER 61 N 0.00 0.00 -3.29 1.61 4.64 -1.71 -3.44 113.55 111.36 1ghe h SER 61 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1ghe h SER 61 Cb 0.00 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.76 1ghe h SER 61 CO 0.00 0.16 -0.87 -0.22 -0.87 0.00 0.00 176.83 175.03 1ghe s LEU 62 N -5.56 2.04 -0.10 5.97 2.96 -1.08 -1.24 118.68 121.68 1ghe s LEU 62 Ca -0.00 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1ghe s LEU 62 Cb 0.09 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 1ghe s LEU 62 CO 0.79 0.12 -0.01 -0.76 -1.32 0.00 0.00 176.35 175.16 1ghe s LEU 63 N 0.56 3.51 -0.03 -0.68 1.02 -0.01 -4.01 118.68 119.04 1ghe s LEU 63 Ca -0.14 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.12 1ghe s LEU 63 Cb -0.17 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.24 1ghe s LEU 63 CO 0.04 0.33 -0.09 -0.22 0.02 0.00 0.00 176.35 176.44 1ghe s LEU 64 N -0.60 1.74 0.11 1.79 2.96 -1.26 -1.33 118.68 122.09 1ghe s LEU 64 Ca 0.10 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1ghe s LEU 64 Cb -0.12 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1ghe s LEU 64 CO 0.02 0.05 -0.16 0.26 -1.32 0.00 0.00 176.35 175.20 1ghe s TRP 65 N 0.29 1.51 0.11 5.38 0.51 -0.52 -0.45 118.94 125.78 1ghe s TRP 65 Ca -0.05 -0.49 0.03 0.00 -2.12 0.00 0.00 56.10 53.47 1ghe s TRP 65 Cb -0.10 -0.80 -0.04 0.00 -0.81 0.00 0.00 33.47 31.72 1ghe s TRP 65 CO 0.01 0.17 -0.08 0.14 -0.51 0.00 0.00 176.95 176.67 1ghe s VAL 66 N -1.72 0.87 -0.23 4.03 -7.23 -0.11 -2.18 120.40 113.84 1ghe s VAL 66 Ca 0.07 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1ghe s VAL 66 Cb -0.07 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 1ghe s VAL 66 CO 0.04 -0.76 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.34 1ghe s VAL 67 N -3.22 3.32 0.02 1.32 1.01 -0.19 -0.53 120.40 122.13 1ghe s VAL 67 Ca 0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1ghe s VAL 67 Cb 0.02 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1ghe s VAL 67 CO -0.02 0.38 0.02 0.00 0.00 0.00 0.00 175.10 175.47 1ghe s ALA 68 N 1.46 0.07 -0.40 5.51 0.00 -0.32 -0.61 121.76 127.47 1ghe s ALA 68 Ca 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1ghe s ALA 68 Cb -0.15 0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.26 1ghe s ALA 68 CO -0.03 -0.22 0.18 -2.00 0.00 0.00 0.00 175.76 173.68 1ghe s GLU 69 N -1.99 2.02 7.93 0.00 2.12 -0.36 -1.00 118.70 127.42 1ghe s GLU 69 Ca -0.11 -1.77 0.00 0.00 0.36 0.00 0.00 54.97 53.46 1ghe s GLU 69 Cb -0.06 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1ghe s GLU 69 CO -0.02 -1.02 0.00 -3.47 -0.54 0.00 0.00 175.26 170.20 1ghe n ASP 70 N 4.58 0.00 -0.42 -1.70 -0.08 -1.26 -1.06 116.55 116.61 1ghe n ASP 70 Ca -0.03 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.38 1ghe n ASP 70 Cb 0.42 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.21 1ghe n ASP 70 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1ghe n ASP 71 N 7.92 1.51 -4.56 1.67 5.75 -1.26 -4.81 116.55 122.76 1ghe n ASP 71 Ca 0.00 -1.27 -0.42 0.00 -0.01 0.00 0.00 54.79 53.08 1ghe n ASP 71 Cb 0.00 0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1ghe n ASP 71 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ghe s ASN 72 N -2.30 6.40 -0.39 -1.12 3.04 -0.23 -4.39 114.94 115.96 1ghe s ASN 72 Ca 0.28 -0.05 -0.24 0.00 0.04 0.00 0.00 52.86 52.89 1ghe s ASN 72 Cb 0.20 -2.52 0.01 0.00 -1.54 0.00 0.00 41.25 37.40 1ghe s ASN 72 CO 0.45 -1.44 0.84 -0.69 -3.04 0.00 0.00 177.10 173.22 1ghe s VAL 73 N 4.74 4.65 -0.13 -5.21 1.01 -1.26 -1.22 120.40 122.98 1ghe s VAL 73 Ca 0.39 0.88 0.17 0.00 0.00 0.00 0.00 61.98 63.43 1ghe s VAL 73 Cb -0.09 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 1ghe s VAL 73 CO 0.23 -0.54 0.88 -0.07 0.00 0.00 0.00 175.10 175.60 1ghe h LEU 74 N 9.97 0.00 -7.25 3.92 3.38 -1.22 -3.46 115.31 120.66 1ghe h LEU 74 Ca -0.24 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.82 1ghe h LEU 74 Cb 1.09 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1ghe h LEU 74 CO 0.95 0.53 0.40 0.00 0.09 0.00 0.00 178.44 180.41 1ghe s ALA 75 N -2.96 -1.68 0.14 1.53 0.00 -1.13 -0.90 121.76 116.76 1ghe s ALA 75 Ca -0.02 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1ghe s ALA 75 Cb 0.09 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1ghe s ALA 75 CO 0.81 -0.82 0.49 0.45 0.00 0.00 0.00 175.76 176.68 1ghe s SER 76 N -2.69 -0.38 0.07 0.00 0.15 -1.26 -1.02 113.70 108.58 1ghe s SER 76 Ca 0.06 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.38 1ghe s SER 76 Cb -0.02 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1ghe s SER 76 CO -0.06 -0.90 0.38 0.00 1.20 0.00 0.00 173.24 173.86 1ghe s ALA 77 N -3.75 -0.89 0.04 5.45 0.00 -0.92 -4.07 121.76 117.62 1ghe s ALA 77 Ca 0.02 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1ghe s ALA 77 Cb 0.01 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1ghe s ALA 77 CO -0.12 -0.52 -0.08 -0.65 0.00 0.00 0.00 175.76 174.39 1ghe s GLN 78 N -3.04 0.52 -0.14 0.00 -0.21 -0.20 -1.44 119.66 115.16 1ghe s GLN 78 Ca -0.02 -0.74 -0.00 0.00 0.02 0.00 0.00 55.36 54.62 1ghe s GLN 78 Cb 0.00 -0.29 0.03 0.00 1.00 0.00 0.00 33.01 33.75 1ghe s GLN 78 CO -0.06 0.05 -0.09 -1.17 -2.12 0.00 0.00 175.29 171.89 1ghe s LEU 79 N -1.54 1.49 -0.40 2.90 2.96 -0.44 -1.23 118.68 122.42 1ghe s LEU 79 Ca -0.10 -0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 1ghe s LEU 79 Cb -0.10 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1ghe s LEU 79 CO 0.00 -0.11 0.33 -0.55 -1.32 0.00 0.00 176.35 174.70 1ghe s SER 80 N 1.61 6.13 -0.08 3.68 0.15 0.41 -0.83 113.70 124.76 1ghe s SER 80 Ca 0.04 -0.72 -0.30 0.00 0.70 0.00 0.00 55.95 55.67 1ghe s SER 80 Cb -0.13 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1ghe s SER 80 CO -0.09 -0.44 1.08 -0.76 1.20 0.00 0.00 173.24 174.23 1ghe s LEU 81 N 1.83 4.26 0.24 3.45 1.43 -0.37 -0.88 118.68 128.64 1ghe s LEU 81 Ca 0.08 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 1ghe s LEU 81 Cb -0.18 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1ghe s LEU 81 CO 0.11 -0.50 1.41 0.00 0.23 0.00 0.00 176.35 177.61 1ghe n GLN 83 N 2.36 1.45 -2.08 0.00 1.13 -1.26 -4.54 117.38 114.43 1ghe n GLN 83 Ca 0.07 -1.12 -0.41 0.00 -1.94 0.00 0.00 57.00 53.60 1ghe n GLN 83 Cb 0.41 -1.27 -0.02 0.00 0.11 0.00 0.00 30.24 29.47 1ghe n GLN 83 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1ghe s LYS 84 N -1.53 4.33 0.42 -1.09 1.02 -1.26 -4.90 119.74 116.73 1ghe s LYS 84 Ca 0.15 2.25 0.22 0.00 0.02 0.00 0.00 55.97 58.61 1ghe s LYS 84 Cb 0.12 -3.07 1.20 0.00 -0.52 0.00 0.00 37.83 35.56 1ghe s LYS 84 CO 0.28 -0.23 1.76 -1.35 -0.92 0.00 0.00 175.35 174.88 1ghe h PRO 85 N 3.54 0.30 -0.62 -1.68 0.11 -2.04 0.16 132.00 131.77 1ghe h PRO 85 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ghe h PRO 85 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ghe h PRO 85 CO 0.67 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.92 1ghe n ASN 86 N -4.58 3.74 -0.73 -2.05 2.04 -1.26 -4.37 115.26 108.06 1ghe n ASN 86 Ca 0.26 -1.99 0.08 0.00 -0.44 0.00 0.00 54.58 52.49 1ghe n ASN 86 Cb 0.98 -0.41 0.23 0.00 -2.53 0.00 0.00 39.78 38.05 1ghe n ASN 86 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ghe n GLY 87 N 1.51 4.31 0.00 4.83 0.00 0.55 -4.69 105.19 111.69 1ghe n GLY 87 Ca 0.22 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1ghe n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ghe n LEU 88 N -0.77 0.00 0.02 0.99 4.77 -1.23 -1.82 117.00 118.96 1ghe n LEU 88 Ca 0.21 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1ghe n LEU 88 Cb 0.85 -0.33 0.24 0.00 -2.33 0.00 0.00 43.42 41.85 1ghe n LEU 88 CO 0.12 -0.21 0.43 -3.20 -1.33 0.00 0.00 177.39 173.20 1ghe n ASN 89 N -1.33 0.54 -4.55 -1.43 4.05 -1.26 -4.58 115.26 106.70 1ghe n ASN 89 Ca 0.04 -0.09 -0.25 0.00 0.45 0.00 0.00 54.58 54.74 1ghe n ASN 89 Cb 0.09 0.21 -0.09 0.00 1.23 0.00 0.00 39.78 41.22 1ghe n ASN 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ghe s ARG 90 N -3.06 1.96 -0.03 1.20 1.70 -0.76 -0.63 118.95 119.33 1ghe s ARG 90 Ca 0.09 -1.50 -0.13 0.00 -0.47 0.00 0.00 55.73 53.72 1ghe s ARG 90 Cb 0.16 -2.00 0.02 0.00 -0.57 0.00 0.00 34.95 32.56 1ghe s ARG 90 CO 0.70 0.37 0.28 0.00 -1.08 0.00 0.00 175.30 175.58 1ghe s ALA 91 N -2.16 -0.71 -0.14 7.88 0.00 -0.55 -2.42 121.76 123.66 1ghe s ALA 91 Ca 0.28 0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1ghe s ALA 91 Cb -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1ghe s ALA 91 CO 0.16 -0.23 0.02 -2.00 0.00 0.00 0.00 175.76 173.71 1ghe s GLU 92 N -1.08 3.56 -0.03 0.00 2.12 -0.06 -1.87 118.70 121.34 1ghe s GLU 92 Ca -0.11 -0.39 -0.19 0.00 0.36 0.00 0.00 54.97 54.64 1ghe s GLU 92 Cb -0.05 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1ghe s GLU 92 CO 0.03 0.43 0.52 0.08 -0.54 0.00 0.00 175.26 175.78 1ghe s VAL 93 N -0.11 5.00 0.12 3.70 1.01 -0.40 -0.44 120.40 129.28 1ghe s VAL 93 Ca 0.05 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1ghe s VAL 93 Cb -0.12 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1ghe s VAL 93 CO 0.02 0.44 0.30 0.00 0.00 0.00 0.00 175.10 175.85 1ghe s GLN 94 N -0.21 1.02 -1.51 2.72 -2.07 -0.36 -4.66 119.66 114.58 1ghe s GLN 94 Ca 0.28 -0.91 -0.11 0.00 -1.82 0.00 0.00 55.36 52.79 1ghe s GLN 94 Cb -0.17 0.40 0.07 0.00 -1.09 0.00 0.00 33.01 32.23 1ghe s GLN 94 CO 0.14 -0.37 0.87 1.63 -1.32 0.00 0.00 175.29 176.25 1ghe n LYS 95 N -0.17 -4.98 -2.48 9.60 4.76 -1.26 -1.03 118.16 122.60 1ghe n LYS 95 Ca -0.13 0.56 -0.32 0.00 -2.87 0.00 0.00 58.31 55.54 1ghe n LYS 95 Cb 0.63 -5.32 -0.04 0.00 -1.84 0.00 0.00 35.03 28.46 1ghe n LYS 95 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ghe s LEU 96 N -7.16 3.70 -0.28 -0.35 2.96 -1.26 -3.82 118.68 112.47 1ghe s LEU 96 Ca 0.52 1.63 -0.20 0.00 -0.22 0.00 0.00 54.13 55.87 1ghe s LEU 96 Cb -0.26 -4.52 0.12 0.00 0.50 0.00 0.00 46.19 42.03 1ghe s LEU 96 CO 0.84 -0.58 0.94 -0.69 -1.32 0.00 0.00 176.35 175.54 1ghe s VAL 98 N -2.48 0.00 0.26 1.68 1.01 -1.26 -4.99 120.40 114.62 1ghe s VAL 98 Ca 0.60 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1ghe s VAL 98 Cb -0.10 -1.00 -0.14 0.00 0.00 0.00 0.00 36.38 35.13 1ghe s VAL 98 CO 0.27 0.00 1.08 0.18 0.00 0.00 0.00 175.10 176.62 1ghe n LEU 99 N 3.23 1.86 -0.28 3.92 4.77 -0.08 -4.78 117.00 125.65 1ghe n LEU 99 Ca -0.16 1.17 0.07 0.00 -0.03 0.00 0.00 56.01 57.06 1ghe n LEU 99 Cb 0.57 -1.29 0.19 0.00 -2.33 0.00 0.00 43.42 40.56 1ghe n LEU 99 CO 0.02 -1.29 0.82 -0.65 -1.33 0.00 0.00 177.39 174.95 1ghe h PRO 100 N 2.47 0.09 0.00 3.23 0.11 -1.91 0.14 132.00 136.13 1ghe h PRO 100 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ghe h PRO 100 Cb 1.34 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1ghe h PRO 100 CO 0.64 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 1ghe n SER 101 N -5.38 0.00 -0.82 -2.05 3.41 -1.26 -2.91 113.62 104.61 1ghe n SER 101 Ca 0.16 0.32 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 1ghe n SER 101 Cb 0.53 -0.42 0.14 0.00 -0.26 0.00 0.00 64.21 64.20 1ghe n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ghe n ALA 102 N -1.42 2.39 -1.66 7.33 0.00 0.48 -5.01 120.51 122.61 1ghe n ALA 102 Ca 0.07 -0.87 -0.31 0.00 0.00 0.00 0.00 53.44 52.33 1ghe n ALA 102 Cb 0.21 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.06 1ghe n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ghe s ARG 103 N -1.28 3.21 -0.31 0.00 0.52 -1.02 -4.04 118.95 116.03 1ghe s ARG 103 Ca 0.27 0.96 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1ghe s ARG 103 Cb 0.16 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1ghe s ARG 103 CO 0.23 -0.89 0.00 0.41 0.02 0.00 0.00 175.30 175.07 1ghe n GLY 104 N -1.94 0.52 0.00 -3.53 0.00 -1.26 -4.91 105.19 94.06 1ghe n GLY 104 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1ghe n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghe n ARG 105 N -2.49 1.22 -0.66 1.61 1.74 -1.26 -5.01 116.66 111.81 1ghe n ARG 105 Ca -0.03 -0.97 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1ghe n ARG 105 Cb 0.21 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1ghe n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ghe n GLY 106 N -0.25 0.74 0.31 -0.13 0.00 -1.26 -4.95 105.19 99.64 1ghe n GLY 106 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1ghe n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ghe h LEU 107 N 0.00 0.98 -0.53 0.99 3.38 -1.95 -1.49 115.31 116.69 1ghe h LEU 107 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ghe h LEU 107 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1ghe h LEU 107 CO 0.00 0.99 0.34 1.23 0.09 0.00 0.00 178.44 181.09 1ghe h GLY 108 N 1.03 0.75 1.03 0.83 0.00 -1.94 -1.08 103.07 103.70 1ghe h GLY 108 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1ghe h GLY 108 CO 0.01 0.28 0.09 -0.09 0.00 0.00 0.00 176.54 176.83 1ghe h ARG 109 N 0.71 0.99 -0.44 4.80 2.43 -1.93 -2.75 114.38 118.19 1ghe h ARG 109 Ca 0.19 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ghe h ARG 109 Cb -0.06 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1ghe h ARG 109 CO -0.04 0.94 0.21 0.37 -1.51 0.00 0.00 179.97 179.93 1ghe h GLN 110 N 0.89 0.40 -0.85 0.20 4.15 -0.88 -0.38 115.11 118.63 1ghe h GLN 110 Ca 0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1ghe h GLN 110 Cb 0.43 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1ghe h GLN 110 CO 0.01 0.27 0.00 1.28 -1.93 0.00 0.00 178.83 178.46 1ghe n LEU 111 N -4.93 0.31 0.00 -2.39 4.77 -0.44 -2.50 117.00 111.81 1ghe n LEU 111 Ca 0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ghe n LEU 111 Cb 0.13 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ghe n LEU 111 CO 0.29 0.06 0.00 0.47 -1.33 0.00 0.00 177.39 176.88 1ghe n ASP 113 N 0.62 0.00 -0.06 -1.43 8.00 -0.15 -0.83 116.55 122.70 1ghe n ASP 113 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1ghe n ASP 113 Cb 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1ghe n ASP 113 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ghe h GLU 114 N 0.00 0.69 -0.79 -1.24 4.57 -1.74 -2.10 114.58 113.98 1ghe h GLU 114 Ca 0.00 -0.47 0.07 0.00 -1.18 0.00 0.00 59.36 57.79 1ghe h GLU 114 Cb 0.00 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 1ghe h GLU 114 CO 0.00 1.09 0.46 0.28 -1.18 0.00 0.00 179.01 179.66 1ghe h VAL 115 N 0.40 0.96 -0.36 0.32 2.07 -1.27 -0.08 116.25 118.29 1ghe h VAL 115 Ca -0.00 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1ghe h VAL 115 Cb 1.09 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ghe h VAL 115 CO 0.11 0.15 -0.16 -0.33 0.02 0.00 0.00 177.57 177.35 1ghe h GLU 116 N 0.81 0.75 -0.60 1.57 5.08 -1.80 -0.86 114.58 119.54 1ghe h GLU 116 Ca 0.36 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1ghe h GLU 116 Cb 0.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1ghe h GLU 116 CO -0.21 0.94 0.29 0.37 -1.00 0.00 0.00 179.01 179.40 1ghe h GLN 117 N 0.54 0.86 0.00 2.33 4.15 -0.84 -2.47 115.11 119.69 1ghe h GLN 117 Ca 0.08 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1ghe h GLN 117 Cb 0.70 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1ghe h GLN 117 CO 0.05 0.69 -0.63 0.28 -1.93 0.00 0.00 178.83 177.29 1ghe h VAL 118 N 0.82 1.36 -0.80 2.39 2.07 -0.95 -2.71 116.25 118.43 1ghe h VAL 118 Ca 0.21 -2.23 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1ghe h VAL 118 Cb 0.12 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1ghe h VAL 118 CO -0.03 0.62 0.34 0.00 0.02 0.00 0.00 177.57 178.52 1ghe h ALA 119 N 1.37 1.10 -0.48 1.67 0.00 -0.80 -1.64 119.26 120.48 1ghe h ALA 119 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ghe h ALA 119 Cb 1.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1ghe h ALA 119 CO 0.08 0.65 0.19 0.28 0.00 0.00 0.00 179.25 180.46 1ghe h VAL 120 N 1.15 1.21 -0.02 0.00 2.07 -1.29 -0.22 116.25 119.15 1ghe h VAL 120 Ca 0.27 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ghe h VAL 120 Cb 0.18 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1ghe h VAL 120 CO -0.03 0.25 0.02 0.11 0.02 0.00 0.00 177.57 177.93 1ghe h LYS 121 N 0.64 0.00 -0.65 1.57 1.57 -1.09 0.16 116.57 118.77 1ghe h LYS 121 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ghe h LYS 121 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ghe h LYS 121 CO -0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 1ghe n HIS 122 N -4.08 1.32 -3.74 -1.35 8.25 -0.68 -4.93 115.22 110.01 1ghe n HIS 122 Ca -0.03 -0.49 -0.28 0.00 -0.26 0.00 0.00 57.72 56.67 1ghe n HIS 122 Cb 0.10 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 30.96 1ghe n HIS 122 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ghe n LYS 123 N 0.64 -5.87 -3.56 -0.41 5.02 0.55 -4.97 118.16 109.57 1ghe n LYS 123 Ca 0.20 0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 56.75 1ghe n LYS 123 Cb 0.82 -5.58 -0.11 0.00 -0.02 0.00 0.00 35.03 30.14 1ghe n LYS 123 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ghe s ARG 124 N -6.45 3.37 0.13 1.97 1.81 -0.18 -4.61 118.95 114.99 1ghe s ARG 124 Ca 0.61 -0.72 0.24 0.00 -1.72 0.00 0.00 55.73 54.14 1ghe s ARG 124 Cb -0.30 -3.76 0.42 0.00 -0.45 0.00 0.00 34.95 30.86 1ghe s ARG 124 CO 0.75 -0.48 1.39 0.41 -0.68 0.00 0.00 175.30 176.69 1ghe n GLY 125 N 5.08 -1.45 3.04 -3.53 0.00 0.20 -4.30 105.19 104.21 1ghe n GLY 125 Ca -0.13 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1ghe n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ghe s LEU 126 N -4.22 1.66 -0.12 0.99 2.96 -0.66 -0.31 118.68 118.98 1ghe s LEU 126 Ca 0.07 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ghe s LEU 126 Cb 0.13 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 1ghe s LEU 126 CO 0.70 0.01 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.88 1ghe s LEU 127 N 1.00 2.94 0.13 -0.68 1.43 -0.62 -1.49 118.68 121.39 1ghe s LEU 127 Ca -0.07 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ghe s LEU 127 Cb -0.15 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1ghe s LEU 127 CO -0.01 0.21 -0.00 -1.38 0.23 0.00 0.00 176.35 175.39 1ghe s HIS 128 N 0.12 0.96 0.19 0.29 -3.43 -0.78 -1.22 115.29 111.42 1ghe s HIS 128 Ca -0.04 -1.06 -0.24 0.00 -0.80 0.00 0.00 55.06 52.92 1ghe s HIS 128 Cb -0.14 -0.56 0.05 0.00 -1.43 0.00 0.00 32.58 30.50 1ghe s HIS 128 CO 0.04 -0.31 0.90 -0.48 -2.00 0.00 0.00 174.74 172.90 1ghe s LEU 129 N -3.08 -0.18 0.02 5.38 0.05 -0.32 -1.28 118.68 119.26 1ghe s LEU 129 Ca 0.19 -0.48 0.01 0.00 0.05 0.00 0.00 54.13 53.90 1ghe s LEU 129 Cb 0.07 2.31 -0.01 0.00 -2.05 0.00 0.00 46.19 46.50 1ghe s LEU 129 CO -0.00 -1.03 -0.04 1.51 -0.55 0.00 0.00 176.35 176.23 1ghe s ASP 130 N -2.96 0.46 0.04 1.48 -4.77 -1.26 -1.48 116.67 108.18 1ghe s ASP 130 Ca 0.12 -0.32 -0.08 0.00 -3.30 0.00 0.00 52.55 48.98 1ghe s ASP 130 Cb -0.03 0.02 -0.00 0.00 -1.09 0.00 0.00 42.92 41.82 1ghe s ASP 130 CO 0.04 -0.12 0.16 0.28 0.70 0.00 0.00 175.17 176.22 1ghe s THR 131 N -0.82 0.11 -0.08 2.11 -1.32 -0.26 -4.92 115.64 110.45 1ghe s THR 131 Ca -0.07 -0.94 -0.37 0.00 -1.21 0.00 0.00 61.69 59.10 1ghe s THR 131 Cb -0.06 -0.86 -0.15 0.00 -1.51 0.00 0.00 72.50 69.92 1ghe s THR 131 CO -0.00 -0.52 1.65 1.21 -2.21 0.00 0.00 174.62 174.74 1ghe n GLU 132 N 0.78 1.51 -1.98 7.08 2.13 -1.26 0.54 120.64 129.44 1ghe n GLU 132 Ca -0.19 0.55 -0.42 0.00 0.66 0.00 0.00 57.16 57.76 1ghe n GLU 132 Cb 0.58 -2.27 -0.02 0.00 0.27 0.00 0.00 31.44 30.00 1ghe n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ghe s ALA 133 N 2.51 3.67 0.00 4.31 0.00 -0.63 -2.05 121.76 129.57 1ghe s ALA 133 Ca 0.91 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1ghe s ALA 133 Cb -0.90 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1ghe s ALA 133 CO 0.54 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1ghe n GLY 134 N 2.67 1.69 3.81 0.00 0.00 -1.26 -4.88 105.19 107.21 1ghe n GLY 134 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1ghe n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ghe s SER 135 N -3.25 3.69 0.36 1.61 1.04 -0.87 -4.91 113.70 111.37 1ghe s SER 135 Ca 0.00 0.94 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1ghe s SER 135 Cb 0.00 -1.50 0.68 0.00 0.10 0.00 0.00 66.02 65.29 1ghe s SER 135 CO 0.00 -2.43 2.02 0.58 0.98 0.00 0.00 173.24 174.39 1ghe h VAL 136 N -1.42 1.15 -0.50 5.02 2.07 -1.96 -1.19 116.25 119.43 1ghe h VAL 136 Ca -0.50 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1ghe h VAL 136 Cb 1.33 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1ghe h VAL 136 CO 0.63 0.15 0.34 0.00 0.02 0.00 0.00 177.57 178.70 1ghe h ALA 137 N 1.63 1.96 -0.54 1.67 0.00 -1.92 -0.14 119.26 121.93 1ghe h ALA 137 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ghe h ALA 137 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ghe h ALA 137 CO -0.05 -0.06 0.22 0.93 0.00 0.00 0.00 179.25 180.29 1ghe h GLU 138 N 0.39 0.80 -0.40 0.00 5.08 -1.46 0.45 114.58 119.44 1ghe h GLU 138 Ca 0.22 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1ghe h GLU 138 Cb 0.37 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ghe h GLU 138 CO -0.06 0.69 -0.14 0.00 -1.00 0.00 0.00 179.01 178.51 1ghe h ALA 139 N 1.07 1.01 0.21 3.43 0.00 -1.12 -1.69 119.26 122.17 1ghe h ALA 139 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ghe h ALA 139 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ghe h ALA 139 CO -0.02 0.59 -0.10 0.35 0.00 0.00 0.00 179.25 180.08 1ghe h PHE 140 N 0.66 -0.26 -0.36 0.00 3.57 -0.68 -0.66 116.94 119.21 1ghe h PHE 140 Ca 0.11 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1ghe h PHE 140 Cb 0.60 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1ghe h PHE 140 CO 0.03 -0.05 -0.07 1.88 -2.23 0.00 0.00 178.31 177.87 1ghe h TYR 141 N -0.43 0.65 -0.53 0.41 -1.99 -0.87 -1.68 116.97 112.54 1ghe h TYR 141 Ca -0.03 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 1ghe h TYR 141 Cb 0.33 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1ghe h TYR 141 CO -0.02 0.66 0.13 0.77 -0.00 0.00 0.00 178.16 179.71 1ghe h SER 142 N 0.57 0.80 0.06 3.88 0.02 -1.23 -1.22 113.55 116.43 1ghe h SER 142 Ca 0.11 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1ghe h SER 142 Cb 0.46 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1ghe h SER 142 CO 0.02 0.82 -0.07 0.00 -1.14 0.00 0.00 176.83 176.47 1ghe h ALA 143 N 1.01 1.84 -0.28 3.77 0.00 -0.64 -1.17 119.26 123.78 1ghe h ALA 143 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ghe h ALA 143 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ghe h ALA 143 CO 0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1ghe n LEU 144 N -4.43 2.15 -1.14 0.00 4.32 -0.67 -4.91 117.00 112.31 1ghe n LEU 144 Ca -0.02 -1.08 -0.11 0.00 -0.02 0.00 0.00 56.01 54.78 1ghe n LEU 144 Cb 0.16 -0.35 -0.01 0.00 -1.62 0.00 0.00 43.42 41.60 1ghe n LEU 144 CO 0.35 0.41 -0.13 0.00 -1.22 0.00 0.00 177.39 176.80 1ghe n ALA 145 N 0.35 -0.28 -2.07 -1.18 0.00 -0.44 -5.03 120.51 111.86 1ghe n ALA 145 Ca 0.11 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.33 1ghe n ALA 145 Cb 0.41 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 1ghe n ALA 145 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ghe s TYR 146 N -2.51 3.36 -0.20 0.00 1.51 -0.51 -4.91 117.35 114.09 1ghe s TYR 146 Ca 0.00 1.30 -0.11 0.00 -1.01 0.00 0.00 57.07 57.24 1ghe s TYR 146 Cb 0.00 -2.60 -0.05 0.00 -0.11 0.00 0.00 41.96 39.20 1ghe s TYR 146 CO 0.00 0.04 0.19 0.99 -1.11 0.00 0.00 175.55 175.66 1ghe s THR 147 N -2.04 5.36 -0.15 -0.71 2.01 0.49 -4.53 115.64 116.06 1ghe s THR 147 Ca 0.56 0.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.62 1ghe s THR 147 Cb -0.10 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1ghe s THR 147 CO 0.17 0.40 0.79 -0.60 -0.69 0.00 0.00 174.62 174.69 1ghe s ARG 148 N 0.59 4.31 -0.12 4.92 3.52 -1.26 -1.33 118.95 129.58 1ghe s ARG 148 Ca 0.11 0.96 -0.18 0.00 -0.13 0.00 0.00 55.73 56.49 1ghe s ARG 148 Cb -0.12 -3.55 -0.26 0.00 -1.56 0.00 0.00 34.95 29.45 1ghe s ARG 148 CO 0.01 -0.25 0.53 0.28 -0.81 0.00 0.00 175.30 175.06 1ghe h VAL 149 N 5.12 1.09 0.00 7.11 2.07 -0.75 -3.49 116.25 127.40 1ghe h VAL 149 Ca -0.32 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1ghe h VAL 149 Cb 1.14 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1ghe h VAL 149 CO 0.81 0.64 0.00 0.61 0.02 0.00 0.00 177.57 179.65 1ghe n GLY 150 N 1.68 -1.12 3.38 2.17 0.00 -1.24 -5.00 105.19 105.06 1ghe n GLY 150 Ca -0.24 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 1ghe n GLY 150 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ghe s GLU 151 N -2.00 1.42 -0.21 1.61 2.02 -1.26 -0.69 118.70 119.58 1ghe s GLU 151 Ca 0.00 -1.52 0.02 0.00 0.02 0.00 0.00 54.97 53.49 1ghe s GLU 151 Cb 0.00 -1.53 0.04 0.00 0.10 0.00 0.00 34.13 32.74 1ghe s GLU 151 CO 0.00 0.31 -0.15 -0.51 0.02 0.00 0.00 175.26 174.93 1ghe s LEU 152 N -2.86 2.68 0.47 1.80 1.02 -0.56 -4.95 118.68 116.28 1ghe s LEU 152 Ca 0.20 -0.98 -0.22 0.00 0.02 0.00 0.00 54.13 53.15 1ghe s LEU 152 Cb -0.06 -1.47 -0.07 0.00 0.02 0.00 0.00 46.19 44.61 1ghe s LEU 152 CO 0.09 -0.10 1.13 -2.16 0.02 0.00 0.00 176.35 175.33 1ghe s PRO 153 N 1.23 3.72 -1.65 1.29 0.04 -1.26 -1.34 135.00 137.03 1ghe s PRO 153 Ca -0.01 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1ghe s PRO 153 Cb -0.16 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1ghe s PRO 153 CO -0.09 -0.56 0.07 0.41 0.04 0.00 0.00 177.00 176.87 1ghe n GLY 154 N 0.29 -0.50 0.26 0.56 0.00 -1.17 -4.87 105.19 99.76 1ghe n GLY 154 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1ghe n GLY 154 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ghe h TYR 155 N -0.17 0.95 -3.21 1.61 3.20 -1.43 -3.45 116.97 114.48 1ghe h TYR 155 Ca -0.47 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.16 1ghe h TYR 155 Cb 1.34 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1ghe h TYR 155 CO 0.58 0.87 0.17 0.00 -1.64 0.00 0.00 178.16 178.14 1ghe s ALA 157 N -2.22 2.74 0.86 0.00 0.00 -1.26 -1.13 121.76 120.75 1ghe s ALA 157 Ca 0.19 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 1ghe s ALA 157 Cb -0.04 -0.65 0.11 0.00 0.00 0.00 0.00 23.12 22.54 1ghe s ALA 157 CO 0.14 0.55 1.12 0.95 0.00 0.00 0.00 175.76 178.52 1ghe s THR 158 N -1.32 2.53 0.60 0.00 -4.23 -0.43 -4.84 115.64 107.95 1ghe s THR 158 Ca 0.20 0.17 0.29 0.00 -1.18 0.00 0.00 61.69 61.17 1ghe s THR 158 Cb -0.10 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.20 1ghe s THR 158 CO 0.11 -0.22 1.95 -0.65 -0.54 0.00 0.00 174.62 175.27 1ghe h PRO 159 N -1.31 0.00 0.00 3.99 0.11 -1.78 0.25 132.00 133.27 1ghe h PRO 159 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ghe h PRO 159 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ghe h PRO 159 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1ghe n ASP 160 N -3.64 0.00 0.00 -2.05 5.75 -1.26 -0.93 116.55 114.42 1ghe n ASP 160 Ca 0.06 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1ghe n ASP 160 Cb 0.56 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1ghe n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ghe n GLY 161 N 1.19 0.59 3.69 6.12 0.00 0.88 -5.03 105.19 112.63 1ghe n GLY 161 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ghe n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ghe s ARG 162 N -0.82 4.45 0.41 1.61 3.52 -1.26 -4.75 118.95 122.12 1ghe s ARG 162 Ca 0.00 1.40 -0.24 0.00 -0.13 0.00 0.00 55.73 56.77 1ghe s ARG 162 Cb 0.00 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 1ghe s ARG 162 CO 0.00 -0.25 1.07 -0.51 -0.81 0.00 0.00 175.30 174.80 1ghe s LEU 163 N 1.77 4.12 0.18 -0.88 1.43 -1.26 -1.31 118.68 122.72 1ghe s LEU 163 Ca 0.49 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1ghe s LEU 163 Cb -0.19 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.84 1ghe s LEU 163 CO 0.20 -0.57 0.36 -1.38 0.23 0.00 0.00 176.35 175.19 1ghe s HIS 164 N -1.64 0.25 0.60 0.29 -3.43 -0.28 -4.88 115.29 106.20 1ghe s HIS 164 Ca 0.59 -0.61 -0.13 0.00 -0.80 0.00 0.00 55.06 54.11 1ghe s HIS 164 Cb -0.23 0.08 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1ghe s HIS 164 CO 0.29 -0.79 1.03 -2.14 -2.00 0.00 0.00 174.74 171.13 1ghe s PRO 165 N -3.94 3.56 0.03 -0.38 0.02 -1.26 -1.84 135.00 131.19 1ghe s PRO 165 Ca 0.15 0.87 0.06 0.00 0.02 0.00 0.00 61.00 62.10 1ghe s PRO 165 Cb 0.02 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1ghe s PRO 165 CO -0.01 -0.60 -0.15 -0.08 -0.33 0.00 0.00 177.00 175.83 1ghe s THR 166 N -2.95 3.00 -0.14 0.99 -1.32 -0.45 -1.61 115.64 113.16 1ghe s THR 166 Ca 0.57 -1.07 -0.05 0.00 -1.21 0.00 0.00 61.69 59.92 1ghe s THR 166 Cb -0.12 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 1ghe s THR 166 CO 0.47 0.36 0.05 0.00 -2.21 0.00 0.00 174.62 173.28 1ghe s ALA 167 N -0.94 3.39 -0.14 11.08 0.00 0.19 -1.50 121.76 133.85 1ghe s ALA 167 Ca 0.15 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 1ghe s ALA 167 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1ghe s ALA 167 CO 0.06 0.35 0.39 0.42 0.00 0.00 0.00 175.76 176.98 1ghe s ILE 168 N -0.16 5.24 0.12 0.00 -1.09 0.13 -1.11 121.20 124.33 1ghe s ILE 168 Ca 0.07 0.77 0.06 0.00 -2.23 0.00 0.00 60.65 59.32 1ghe s ILE 168 Cb -0.12 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1ghe s ILE 168 CO 0.01 0.36 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.61 1ghe s TYR 169 N 0.55 1.49 0.17 3.97 1.51 -0.55 0.05 117.35 124.54 1ghe s TYR 169 Ca 0.22 -0.51 -0.13 0.00 -1.01 0.00 0.00 57.07 55.64 1ghe s TYR 169 Cb -0.14 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1ghe s TYR 169 CO 0.07 0.17 0.38 -0.59 -1.11 0.00 0.00 175.55 174.47 1ghe s PHE 170 N -1.85 0.13 -0.07 2.71 -0.12 -0.44 -1.18 117.98 117.16 1ghe s PHE 170 Ca 0.08 -0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 56.44 1ghe s PHE 170 Cb -0.07 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1ghe s PHE 170 CO 0.04 -0.78 0.16 0.21 -0.05 0.00 0.00 175.22 174.79 1ghe s LYS 171 N -3.91 0.11 -0.21 1.99 2.20 -0.35 -0.38 119.74 119.19 1ghe s LYS 171 Ca 0.12 0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.93 1ghe s LYS 171 Cb 0.02 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1ghe s LYS 171 CO -0.03 -0.15 0.41 0.99 -0.36 0.00 0.00 175.35 176.22 1ghe s THR 172 N 1.04 5.18 -2.87 3.43 2.01 -1.26 -1.59 115.64 121.57 1ghe s THR 172 Ca -0.08 0.73 0.25 0.00 0.31 0.00 0.00 61.69 62.90 1ghe s THR 172 Cb -0.10 -3.74 0.28 0.00 0.01 0.00 0.00 72.50 68.95 1ghe s THR 172 CO -0.05 0.23 1.38 0.18 -0.69 0.00 0.00 174.62 175.67