#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8y n ASP 2 N 0.00 0.65 -4.88 4.52 3.85 -1.26 -4.92 116.55 114.51 1r8y n ASP 2 Ca 0.00 0.81 -0.31 0.00 -0.71 0.00 0.00 54.79 54.58 1r8y n ASP 2 Cb 0.00 -0.61 -0.04 0.00 -1.35 0.00 0.00 41.12 39.12 1r8y n ASP 2 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1r8y s SER 3 N 1.61 6.56 0.00 -1.12 0.15 -1.26 -5.13 113.70 114.52 1r8y s SER 3 Ca 0.70 0.91 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1r8y s SER 3 Cb -0.99 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.09 1r8y s SER 3 CO 0.52 -0.17 0.00 0.52 1.20 0.00 0.00 173.24 175.31 1r8y n VAL 4 N -0.58 0.00 0.00 4.45 0.31 -1.26 -5.12 118.33 116.13 1r8y n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1r8y n VAL 4 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1r8y n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r8y n TYR 5 N 0.00 0.00 -3.82 3.52 4.19 -1.26 -5.19 117.16 114.60 1r8y n TYR 5 Ca 0.00 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.99 1r8y n TYR 5 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 1r8y n TYR 5 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1r8y s ARG 6 N -0.35 2.60 -0.05 2.98 0.52 -1.26 -5.04 118.95 118.35 1r8y s ARG 6 Ca 0.00 -1.41 -0.04 0.00 -0.52 0.00 0.00 55.73 53.75 1r8y s ARG 6 Cb 0.00 -2.38 -0.27 0.00 0.52 0.00 0.00 34.95 32.81 1r8y s ARG 6 CO 0.00 0.03 0.65 1.15 0.02 0.00 0.00 175.30 177.15 1r8y h THR 7 N 1.26 0.91 -3.43 0.02 2.02 -2.07 -3.47 112.91 108.15 1r8y h THR 7 Ca -0.44 -2.59 -0.09 0.00 0.77 0.00 0.00 66.41 64.07 1r8y h THR 7 Cb 1.26 2.65 -0.16 0.00 -1.74 0.00 0.00 68.15 70.16 1r8y h THR 7 CO 0.59 0.81 -0.25 0.00 0.37 0.00 0.00 175.52 177.04 1r8y s ARG 8 N -2.59 0.85 0.83 6.66 1.70 -1.26 -5.15 118.95 119.99 1r8y s ARG 8 Ca -0.14 -0.63 -0.12 0.00 -0.47 0.00 0.00 55.73 54.37 1r8y s ARG 8 Cb 0.07 0.36 0.10 0.00 -0.57 0.00 0.00 34.95 34.91 1r8y s ARG 8 CO 0.83 -0.28 1.17 -1.12 -1.08 0.00 0.00 175.30 174.81 1r8y s SER 9 N -2.33 3.53 0.02 -2.89 0.01 -1.26 -4.91 113.70 105.86 1r8y s SER 9 Ca -0.02 2.23 -0.30 0.00 1.31 0.00 0.00 55.95 59.17 1r8y s SER 9 Cb 0.01 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1r8y s SER 9 CO -0.06 -2.70 1.23 -0.76 0.41 0.00 0.00 173.24 171.36 1r8y s LEU 10 N -6.00 4.33 0.00 2.44 1.43 -1.26 -3.46 118.68 116.17 1r8y s LEU 10 Ca 0.69 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1r8y s LEU 10 Cb -0.25 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1r8y s LEU 10 CO 0.53 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1r8y n GLY 11 N 3.33 0.46 3.96 -3.19 0.00 -1.26 -5.10 105.19 103.39 1r8y n GLY 11 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1r8y n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r8y s VAL 12 N -2.14 2.09 0.12 1.61 -7.23 -1.22 -5.09 120.40 108.54 1r8y s VAL 12 Ca 0.00 -0.31 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1r8y s VAL 12 Cb 0.00 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1r8y s VAL 12 CO 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 174.93 1r8y s ALA 13 N -3.46 0.30 0.27 1.32 0.00 -1.26 -4.61 121.76 114.32 1r8y s ALA 13 Ca 0.69 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1r8y s ALA 13 Cb -0.05 0.67 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 1r8y s ALA 13 CO 0.48 -0.52 0.01 0.00 0.00 0.00 0.00 175.76 175.73 1r8y s ALA 14 N -3.96 2.10 -0.06 0.00 0.00 -1.26 -5.10 121.76 113.48 1r8y s ALA 14 Ca 0.14 -1.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.06 1r8y s ALA 14 Cb 0.06 0.50 -0.10 0.00 0.00 0.00 0.00 23.12 23.58 1r8y s ALA 14 CO -0.04 -0.24 0.59 0.93 0.00 0.00 0.00 175.76 177.00 1r8y h GLU 15 N 2.31 -0.29 -0.90 0.00 3.07 -2.02 -3.27 114.58 113.48 1r8y h GLU 15 Ca -0.39 0.02 0.25 0.00 -0.50 0.00 0.00 59.36 58.74 1r8y h GLU 15 Cb 1.23 0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 29.06 1r8y h GLU 15 CO 0.67 -0.03 0.25 0.78 -1.40 0.00 0.00 179.01 179.28 1r8y h GLY 16 N -1.02 1.43 -4.49 -3.84 0.00 -2.08 -3.45 103.07 89.63 1r8y h GLY 16 Ca -0.03 -0.04 -0.59 0.00 0.00 0.00 0.00 47.33 46.67 1r8y h GLY 16 CO 0.05 -0.40 -0.26 1.08 0.00 0.00 0.00 176.54 177.01 1r8y s LEU 17 N -10.66 4.33 0.53 3.11 1.43 -1.24 -5.07 118.68 111.10 1r8y s LEU 17 Ca -0.12 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 53.52 1r8y s LEU 17 Cb 0.27 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 1r8y s LEU 17 CO 0.77 0.14 1.24 -2.84 0.23 0.00 0.00 176.35 175.90 1r8y s PRO 18 N -2.09 3.33 0.76 1.29 0.02 -1.26 -4.63 135.00 132.42 1r8y s PRO 18 Ca 0.35 1.95 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 1r8y s PRO 18 Cb -0.13 -2.22 0.06 0.00 0.02 0.00 0.00 34.50 32.22 1r8y s PRO 18 CO 0.19 -0.95 1.16 -0.51 -0.33 0.00 0.00 177.00 176.57 1r8y s ASP 19 N -1.28 4.13 0.00 2.53 1.01 -1.26 -4.86 116.67 116.94 1r8y s ASP 19 Ca 0.70 2.20 0.00 0.00 0.71 0.00 0.00 52.55 56.16 1r8y s ASP 19 Cb -0.33 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.03 1r8y s ASP 19 CO 0.39 -2.30 0.00 0.00 0.21 0.00 0.00 175.17 173.47 1r8y n GLN 20 N -3.07 0.00 -0.23 8.23 1.13 -1.26 -0.95 117.38 121.23 1r8y n GLN 20 Ca 0.12 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.27 1r8y n GLN 20 Cb 0.51 0.00 0.16 0.00 0.11 0.00 0.00 30.24 31.02 1r8y n GLN 20 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1r8y n TYR 21 N -0.02 0.00 0.29 1.08 4.01 -1.26 -4.86 117.16 116.40 1r8y n TYR 21 Ca 0.00 -1.14 0.15 0.00 -0.16 0.00 0.00 57.90 56.75 1r8y n TYR 21 Cb 0.00 -0.18 0.87 0.00 -0.31 0.00 0.00 39.34 39.72 1r8y n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r8y h ALA 22 N 0.29 1.39 -0.35 -0.72 0.00 -1.37 -2.11 119.26 116.38 1r8y h ALA 22 Ca -0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1r8y h ALA 22 Cb 1.00 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.46 1r8y h ALA 22 CO 0.00 0.06 -0.89 -0.40 0.00 0.00 0.00 179.25 178.02 1r8y n ASP 23 N -3.70 2.48 -4.83 0.00 5.68 -1.26 -4.65 116.55 110.27 1r8y n ASP 23 Ca -0.02 -2.91 -0.31 0.00 -0.50 0.00 0.00 54.79 51.05 1r8y n ASP 23 Cb 0.14 -0.41 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 1r8y n ASP 23 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1r8y s GLY 24 N -3.27 1.66 0.24 6.12 0.00 -0.80 -4.90 107.32 106.39 1r8y s GLY 24 Ca 0.38 0.03 -0.08 0.00 0.00 0.00 0.00 44.72 45.04 1r8y s GLY 24 CO -0.05 0.33 1.62 -2.09 0.00 0.00 0.00 173.10 172.92 1r8y h GLU 25 N -0.66 0.06 -0.23 2.90 4.81 -1.96 -1.89 114.58 117.61 1r8y h GLU 25 Ca -0.44 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 1r8y h GLU 25 Cb 1.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1r8y h GLU 25 CO 0.58 0.04 -0.29 0.00 -0.73 0.00 0.00 179.01 178.61 1r8y h ALA 26 N 1.74 0.34 -0.73 2.92 0.00 -1.94 -2.94 119.26 118.64 1r8y h ALA 26 Ca 0.40 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1r8y h ALA 26 Cb 0.69 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1r8y h ALA 26 CO -0.72 0.35 0.49 0.00 0.00 0.00 0.00 179.25 179.37 1r8y h ALA 27 N 0.65 1.48 -0.66 0.00 0.00 -1.77 0.17 119.26 119.13 1r8y h ALA 27 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1r8y h ALA 27 Cb 0.86 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1r8y h ALA 27 CO 0.07 0.48 0.25 0.00 0.00 0.00 0.00 179.25 180.05 1r8y h ARG 28 N 0.99 0.99 0.07 0.00 2.47 -1.19 -1.82 114.38 115.89 1r8y h ARG 28 Ca 0.27 -0.17 -0.25 0.00 -1.26 0.00 0.00 59.98 58.56 1r8y h ARG 28 Cb -0.11 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.05 1r8y h ARG 28 CO -0.06 0.81 -1.10 0.28 0.56 0.00 0.00 179.97 180.46 1r8y h VAL 29 N 0.96 1.45 -0.65 2.04 2.07 -1.22 -3.20 116.25 117.70 1r8y h VAL 29 Ca 0.22 -2.75 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 1r8y h VAL 29 Cb 0.21 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1r8y h VAL 29 CO -0.02 0.81 0.38 -0.25 0.02 0.00 0.00 177.57 178.52 1r8y h TRP 30 N 0.15 0.85 -0.34 1.57 7.01 -0.47 -2.02 115.95 122.70 1r8y h TRP 30 Ca -0.11 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.90 1r8y h TRP 30 Cb 1.78 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 28.54 1r8y h TRP 30 CO 0.06 0.57 0.21 1.96 -2.79 0.00 0.00 178.44 178.46 1r8y h GLN 31 N 0.89 0.42 -0.96 2.65 4.20 -1.33 -0.59 115.11 120.39 1r8y h GLN 31 Ca 0.23 -0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.10 1r8y h GLN 31 Cb -0.02 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 27.58 1r8y h GLN 31 CO -0.04 0.28 0.61 -0.07 -0.67 0.00 0.00 178.83 178.93 1r8y h LEU 32 N 0.43 0.65 0.46 1.46 3.38 -1.47 -1.13 115.31 119.09 1r8y h LEU 32 Ca 0.13 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1r8y h LEU 32 Cb -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1r8y h LEU 32 CO -0.04 0.27 -0.22 0.22 0.09 0.00 0.00 178.44 178.75 1r8y h TYR 33 N 0.65 -0.57 0.00 1.13 3.20 -0.44 -3.05 116.97 117.89 1r8y h TYR 33 Ca 0.52 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.38 1r8y h TYR 33 Cb 0.94 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1r8y h TYR 33 CO -0.00 -0.31 0.04 0.44 -1.64 0.00 0.00 178.16 176.69 1r8y n ILE 34 N -5.19 0.98 1.33 1.81 -5.35 -0.44 -0.84 119.36 111.65 1r8y n ILE 34 Ca -0.08 0.74 0.13 0.00 -0.27 0.00 0.00 62.75 63.27 1r8y n ILE 34 Cb 0.27 -1.74 0.39 0.00 -1.74 0.00 0.00 39.64 36.81 1r8y n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r8y n GLY 35 N -1.29 0.33 2.35 3.28 0.00 -0.45 -4.65 105.19 104.76 1r8y n GLY 35 Ca -0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1r8y n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r8y n ASP 36 N 0.55 6.80 -2.32 1.61 4.64 -0.02 -4.21 116.55 123.60 1r8y n ASP 36 Ca 0.17 -2.94 -0.02 0.00 -1.38 0.00 0.00 54.79 50.63 1r8y n ASP 36 Cb 0.43 -1.35 0.05 0.00 -1.04 0.00 0.00 41.12 39.21 1r8y n ASP 36 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1r8y n THR 37 N 1.78 1.16 0.80 5.18 -2.24 -1.26 -4.51 114.28 115.19 1r8y n THR 37 Ca 0.54 -2.63 0.11 0.00 -2.27 0.00 0.00 64.05 59.80 1r8y n THR 37 Cb 0.53 0.88 0.29 0.00 -2.10 0.00 0.00 70.33 69.93 1r8y n THR 37 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r8y n ARG 38 N -0.38 2.12 -3.25 -0.78 3.00 -1.26 -4.49 116.66 111.62 1r8y n ARG 38 Ca 0.12 -1.69 -0.04 0.00 -0.00 0.00 0.00 57.85 56.24 1r8y n ARG 38 Cb 0.90 -1.45 -0.03 0.00 0.00 0.00 0.00 32.46 31.88 1r8y n ARG 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1r8y s SER 39 N -1.56 -0.82 0.11 6.15 1.04 -1.26 -5.11 113.70 112.25 1r8y s SER 39 Ca 0.35 -0.95 -0.31 0.00 0.48 0.00 0.00 55.95 55.52 1r8y s SER 39 Cb 0.20 1.60 -0.09 0.00 0.10 0.00 0.00 66.02 67.83 1r8y s SER 39 CO 0.29 -0.20 1.55 -0.60 0.98 0.00 0.00 173.24 175.26 1r8y s ARG 40 N 1.78 4.24 0.27 4.02 3.52 -1.26 -1.97 118.95 129.54 1r8y s ARG 40 Ca 0.16 2.26 -0.30 0.00 -0.13 0.00 0.00 55.73 57.72 1r8y s ARG 40 Cb -0.07 -3.34 -0.10 0.00 -1.56 0.00 0.00 34.95 29.87 1r8y s ARG 40 CO -0.07 -0.61 1.48 0.95 -0.81 0.00 0.00 175.30 176.24 1r8y s THR 41 N 1.69 2.48 0.20 4.11 -4.23 0.51 -4.88 115.64 115.53 1r8y s THR 41 Ca 0.70 0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 61.52 1r8y s THR 41 Cb -0.40 -3.26 0.13 0.00 1.34 0.00 0.00 72.50 70.31 1r8y s THR 41 CO 0.31 0.07 1.78 0.00 -0.54 0.00 0.00 174.62 176.24 1r8y h ALA 42 N 4.91 0.95 -0.44 3.99 0.00 -1.92 -2.09 119.26 124.66 1r8y h ALA 42 Ca -0.46 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.32 1r8y h ALA 42 Cb 1.22 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1r8y h ALA 42 CO 0.78 0.54 -0.26 0.39 0.00 0.00 0.00 179.25 180.70 1r8y n GLU 43 N -4.38 -0.19 0.36 0.00 -0.58 -1.26 -0.68 120.64 113.90 1r8y n GLU 43 Ca 0.06 0.78 -0.16 0.00 -0.42 0.00 0.00 57.16 57.42 1r8y n GLU 43 Cb 0.15 -1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 1r8y n GLU 43 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1r8y h TYR 44 N 0.00 -0.85 -1.16 -0.32 3.20 -1.67 -2.15 116.97 114.03 1r8y h TYR 44 Ca 0.07 -0.02 0.40 0.00 3.14 0.00 0.00 58.73 62.32 1r8y h TYR 44 Cb 0.18 0.28 -0.14 0.00 1.54 0.00 0.00 36.73 38.59 1r8y h TYR 44 CO -0.56 -0.49 0.70 0.87 -1.64 0.00 0.00 178.16 177.04 1r8y h LYS 45 N -1.08 0.13 0.02 1.82 1.79 -1.08 0.71 116.57 118.88 1r8y h LYS 45 Ca -0.09 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1r8y h LYS 45 Cb 0.73 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1r8y h LYS 45 CO 0.15 0.09 -0.30 0.00 -1.08 0.00 0.00 179.45 178.32 1r8y h ALA 46 N 1.76 0.01 0.46 3.86 0.00 -0.84 -3.25 119.26 121.25 1r8y h ALA 46 Ca 0.80 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1r8y h ALA 46 Cb 2.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1r8y h ALA 46 CO -0.54 0.12 -0.22 2.35 0.00 0.00 0.00 179.25 180.96 1r8y h TRP 47 N -0.56 -0.57 -0.44 0.00 7.01 -0.21 0.03 115.95 121.21 1r8y h TRP 47 Ca -0.04 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.96 1r8y h TRP 47 Cb 1.11 0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 28.33 1r8y h TRP 47 CO 0.20 -0.28 0.26 1.25 -2.79 0.00 0.00 178.44 177.08 1r8y h LEU 48 N -0.78 0.42 -0.95 0.65 5.85 -1.49 0.12 115.31 119.13 1r8y h LEU 48 Ca -0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1r8y h LEU 48 Cb 0.55 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1r8y h LEU 48 CO 0.10 0.30 0.22 -0.07 -0.34 0.00 0.00 178.44 178.65 1r8y h LEU 49 N 0.52 0.91 0.74 2.25 3.38 -1.59 -1.53 115.31 119.99 1r8y h LEU 49 Ca 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1r8y h LEU 49 Cb 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1r8y h LEU 49 CO -0.08 0.84 -0.39 1.23 0.09 0.00 0.00 178.44 180.14 1r8y h GLY 50 N 1.05 -1.09 0.37 0.83 0.00 0.07 -2.65 103.07 101.65 1r8y h GLY 50 Ca 0.22 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1r8y h GLY 50 CO -0.01 -0.39 -0.47 -2.00 0.00 0.00 0.00 176.54 173.66 1r8y h LEU 51 N -1.03 -1.35 -0.69 3.11 5.85 -0.72 0.15 115.31 120.62 1r8y h LEU 51 Ca -0.10 0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1r8y h LEU 51 Cb 0.81 0.48 -0.11 0.00 0.37 0.00 0.00 40.66 42.20 1r8y h LEU 51 CO 0.14 -0.58 0.07 -0.07 -0.34 0.00 0.00 178.44 177.66 1r8y h LEU 52 N -0.83 -0.17 0.07 2.25 3.38 -1.32 -1.00 115.31 117.68 1r8y h LEU 52 Ca -0.02 0.16 -0.27 0.00 0.09 0.00 0.00 57.88 57.83 1r8y h LEU 52 Cb 0.78 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1r8y h LEU 52 CO -0.16 -0.10 -1.20 0.03 0.09 0.00 0.00 178.44 177.10 1r8y h ARG 53 N 0.17 0.37 0.00 1.13 3.08 -1.37 0.11 114.38 117.87 1r8y h ARG 53 Ca 0.37 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1r8y h ARG 53 Cb 0.63 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1r8y h ARG 53 CO -0.54 1.24 0.00 0.94 -1.07 0.00 0.00 179.97 180.53 1r8y n GLN 54 N -3.63 0.07 -0.17 0.04 0.00 0.50 -1.01 117.38 113.18 1r8y n GLN 54 Ca -0.10 0.43 0.07 0.00 -0.00 0.00 0.00 57.00 57.40 1r8y n GLN 54 Cb 0.98 -1.67 0.15 0.00 0.00 0.00 0.00 30.24 29.70 1r8y n GLN 54 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1r8y n HIS 55 N -1.82 0.32 -2.65 3.69 8.25 -0.46 -5.01 115.22 117.55 1r8y n HIS 55 Ca 0.01 -0.80 -0.19 0.00 -0.26 0.00 0.00 57.72 56.48 1r8y n HIS 55 Cb 0.12 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1r8y n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r8y n GLY 56 N -0.74 -0.50 3.80 -1.41 0.00 -0.18 -4.98 105.19 101.19 1r8y n GLY 56 Ca 0.14 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1r8y n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r8y n HIS 58 N -0.08 0.00 -2.99 0.00 -0.00 -1.26 -4.71 115.22 106.18 1r8y n HIS 58 Ca 0.05 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.80 1r8y n HIS 58 Cb 0.52 0.31 -0.06 0.00 -0.12 0.00 0.00 29.99 30.65 1r8y n HIS 58 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1r8y s ARG 59 N -1.75 3.53 -0.03 1.57 0.52 -1.26 -1.85 118.95 119.68 1r8y s ARG 59 Ca 0.00 0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.30 1r8y s ARG 59 Cb 0.00 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 1r8y s ARG 59 CO 0.00 -0.98 -0.23 0.08 0.02 0.00 0.00 175.30 174.19 1r8y s VAL 60 N 3.13 2.30 -0.24 3.52 1.01 -0.26 -0.70 120.40 129.17 1r8y s VAL 60 Ca 0.29 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1r8y s VAL 60 Cb -0.13 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1r8y s VAL 60 CO 0.20 0.58 -0.11 -0.22 0.00 0.00 0.00 175.10 175.55 1r8y s LEU 61 N -0.63 3.02 -0.34 3.92 2.96 -0.43 -0.67 118.68 126.49 1r8y s LEU 61 Ca 0.10 -1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 1r8y s LEU 61 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1r8y s LEU 61 CO -0.01 -0.12 0.26 -0.62 -1.32 0.00 0.00 176.35 174.54 1r8y s ASP 62 N 1.24 6.08 0.00 3.68 -1.08 -0.00 -1.05 116.67 125.53 1r8y s ASP 62 Ca -0.02 -0.42 0.19 0.00 -0.52 0.00 0.00 52.55 51.78 1r8y s ASP 62 Cb -0.17 -2.15 0.11 0.00 -1.46 0.00 0.00 42.92 39.26 1r8y s ASP 62 CO -0.07 -0.25 1.07 1.33 0.52 0.00 0.00 175.17 177.76 1r8y n VAL 63 N 5.12 0.00 -2.84 1.11 0.24 -0.80 -1.15 118.33 120.02 1r8y n VAL 63 Ca -0.12 -0.45 -0.17 0.00 -2.04 0.00 0.00 64.34 61.56 1r8y n VAL 63 Cb 0.50 1.35 -0.00 0.00 -1.47 0.00 0.00 33.84 34.22 1r8y n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r8y n ALA 64 N 0.78 3.38 -0.30 2.33 0.00 -1.23 -4.61 120.51 120.86 1r8y n ALA 64 Ca 0.10 -3.61 -0.08 0.00 0.00 0.00 0.00 53.44 49.86 1r8y n ALA 64 Cb 0.46 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1r8y n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r8y n GLY 66 N -1.18 2.32 0.00 0.00 0.00 -1.26 -2.07 105.19 103.00 1r8y n GLY 66 Ca 0.01 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1r8y n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r8y n THR 67 N 0.00 0.00 -1.20 2.61 -2.24 -1.25 -3.77 114.28 108.44 1r8y n THR 67 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1r8y n THR 67 Cb 0.00 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 1r8y n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r8y n GLY 68 N 0.39 0.90 0.32 3.38 0.00 -0.88 -3.20 105.19 106.10 1r8y n GLY 68 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.40 1r8y n GLY 68 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1r8y h VAL 69 N 0.00 1.17 -0.18 1.61 -1.51 -1.90 0.53 116.25 115.97 1r8y h VAL 69 Ca -0.14 -0.42 -0.19 0.00 -1.23 0.00 0.00 66.70 64.73 1r8y h VAL 69 Cb 0.45 0.41 0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1r8y h VAL 69 CO 0.20 0.19 -0.61 0.44 -1.23 0.00 0.00 177.57 176.55 1r8y h ASP 70 N 0.77 0.85 -0.36 4.19 3.32 -1.93 -2.69 116.42 120.57 1r8y h ASP 70 Ca 0.20 -0.60 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1r8y h ASP 70 Cb 0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1r8y h ASP 70 CO -0.03 1.30 0.21 0.28 -1.72 0.00 0.00 179.24 179.28 1r8y h SER 71 N 0.44 0.44 -0.81 6.45 0.02 -1.81 -1.67 113.55 116.60 1r8y h SER 71 Ca -0.03 -0.07 0.15 0.00 -0.84 0.00 0.00 61.79 61.01 1r8y h SER 71 Cb 1.24 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 1r8y h SER 71 CO 0.13 0.39 0.37 0.40 -1.14 0.00 0.00 176.83 176.97 1r8y h ILE 72 N 0.47 0.66 -0.43 3.27 2.04 -0.93 0.52 117.51 123.10 1r8y h ILE 72 Ca 0.13 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1r8y h ILE 72 Cb 0.03 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1r8y h ILE 72 CO -0.02 0.09 0.25 -0.03 0.00 0.00 0.00 178.15 178.44 1r8y h MET 73 N 0.51 0.49 -0.47 2.37 4.05 -1.01 -1.50 114.93 119.38 1r8y h MET 73 Ca 0.45 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.81 1r8y h MET 73 Cb 0.70 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1r8y h MET 73 CO -0.40 0.33 0.17 -0.07 0.23 0.00 0.00 176.91 177.16 1r8y h LEU 74 N 0.51 0.66 -0.73 3.39 3.38 -0.06 -2.27 115.31 120.19 1r8y h LEU 74 Ca 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1r8y h LEU 74 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1r8y h LEU 74 CO -0.09 0.67 0.31 0.58 0.09 0.00 0.00 178.44 180.00 1r8y h VAL 75 N 0.61 1.25 -0.16 1.22 2.07 0.31 -2.02 116.25 119.54 1r8y h VAL 75 Ca 0.15 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1r8y h VAL 75 Cb 0.23 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1r8y h VAL 75 CO -0.01 0.31 0.07 -0.33 0.02 0.00 0.00 177.57 177.63 1r8y h GLU 76 N 1.03 0.16 0.00 1.57 5.08 -1.25 -1.89 114.58 119.29 1r8y h GLU 76 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1r8y h GLU 76 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1r8y h GLU 76 CO -0.02 0.10 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 1r8y n GLU 77 N -5.02 0.65 -0.64 2.33 -0.58 -0.79 -4.85 120.64 111.74 1r8y n GLU 77 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1r8y n GLU 77 Cb 0.05 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1r8y n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r8y n GLY 78 N 0.18 0.74 3.74 0.62 0.00 -0.71 -5.05 105.19 104.71 1r8y n GLY 78 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1r8y n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8y s PHE 79 N -2.56 2.45 -0.31 1.61 0.08 -1.01 -5.02 117.98 113.22 1r8y s PHE 79 Ca 0.00 1.30 -0.06 0.00 0.12 0.00 0.00 56.93 58.29 1r8y s PHE 79 Cb 0.00 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1r8y s PHE 79 CO 0.00 -2.17 0.09 0.45 -0.10 0.00 0.00 175.22 173.49 1r8y s SER 80 N -3.49 5.17 -0.06 1.36 0.15 -0.77 -4.52 113.70 111.54 1r8y s SER 80 Ca 0.62 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 56.43 1r8y s SER 80 Cb -0.17 -1.87 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1r8y s SER 80 CO 0.56 -0.24 -0.20 0.54 1.20 0.00 0.00 173.24 175.10 1r8y s VAL 81 N 1.46 1.65 -0.16 4.45 0.11 -1.26 -1.10 120.40 125.54 1r8y s VAL 81 Ca 0.01 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.17 1r8y s VAL 81 Cb -0.18 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1r8y s VAL 81 CO 0.02 0.47 0.04 -0.32 -3.33 0.00 0.00 175.10 171.98 1r8y s MET 82 N 0.12 3.80 -0.06 1.54 1.75 0.15 -2.50 119.30 124.10 1r8y s MET 82 Ca -0.08 -0.38 0.03 0.00 -1.25 0.00 0.00 55.69 54.02 1r8y s MET 82 Cb -0.14 -3.11 0.00 0.00 2.84 0.00 0.00 34.83 34.43 1r8y s MET 82 CO 0.04 0.32 -0.16 -1.12 -0.65 0.00 0.00 175.02 173.45 1r8y s SER 83 N 0.20 2.10 0.17 1.11 0.01 0.63 -0.82 113.70 117.11 1r8y s SER 83 Ca 0.03 -0.35 0.08 0.00 1.31 0.00 0.00 55.95 57.01 1r8y s SER 83 Cb -0.13 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 1r8y s SER 83 CO 0.01 0.10 -0.16 0.68 0.41 0.00 0.00 173.24 174.28 1r8y s VAL 84 N 0.34 1.74 0.16 3.43 -7.23 -0.30 -1.97 120.40 116.57 1r8y s VAL 84 Ca -0.10 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 57.94 1r8y s VAL 84 Cb -0.14 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.93 1r8y s VAL 84 CO 0.04 -0.43 0.38 -0.62 -0.31 0.00 0.00 175.10 174.16 1r8y s ASP 85 N -2.87 -0.10 0.00 4.85 -1.08 -1.13 -1.31 116.67 115.03 1r8y s ASP 85 Ca 0.17 -0.62 0.24 0.00 -0.52 0.00 0.00 52.55 51.83 1r8y s ASP 85 Cb -0.04 0.48 0.39 0.00 -1.46 0.00 0.00 42.92 42.30 1r8y s ASP 85 CO 0.06 -0.93 1.33 0.00 0.52 0.00 0.00 175.17 176.16 1r8y n ALA 86 N -0.24 3.63 -2.47 3.66 0.00 -0.87 -0.24 120.51 123.97 1r8y n ALA 86 Ca -0.11 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1r8y n ALA 86 Cb 0.63 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1r8y n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r8y s SER 87 N -2.79 6.12 0.31 0.00 0.15 -1.26 -4.93 113.70 111.30 1r8y s SER 87 Ca 0.15 -0.80 -0.00 0.00 0.70 0.00 0.00 55.95 56.00 1r8y s SER 87 Cb 0.18 -2.17 0.48 0.00 -1.71 0.00 0.00 66.02 62.80 1r8y s SER 87 CO 0.66 -0.45 1.92 0.44 1.20 0.00 0.00 173.24 177.01 1r8y h ASP 88 N 8.63 0.81 0.28 5.45 3.32 -1.98 -0.49 116.42 132.44 1r8y h ASP 88 Ca -0.27 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1r8y h ASP 88 Cb 1.12 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1r8y h ASP 88 CO 0.73 0.67 -0.23 0.11 -1.72 0.00 0.00 179.24 178.80 1r8y h LYS 89 N 0.90 0.00 0.07 3.56 6.56 -2.00 0.65 116.57 126.31 1r8y h LYS 89 Ca 0.23 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.45 1r8y h LYS 89 Cb 0.06 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 1r8y h LYS 89 CO -0.03 0.23 -2.14 -1.33 -2.06 0.00 0.00 179.45 174.12 1r8y n MET 90 N -4.12 0.71 -0.22 3.15 2.81 -1.14 -4.19 117.12 114.11 1r8y n MET 90 Ca -0.02 0.22 0.08 0.00 -1.81 0.00 0.00 57.70 56.16 1r8y n MET 90 Cb 0.30 -1.65 0.35 0.00 -0.71 0.00 0.00 33.22 31.51 1r8y n MET 90 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1r8y h LEU 91 N 0.04 0.69 -0.84 4.03 3.38 -0.83 -1.25 115.31 120.52 1r8y h LEU 91 Ca -0.47 0.01 0.24 0.00 0.09 0.00 0.00 57.88 57.75 1r8y h LEU 91 Cb 2.00 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 42.46 1r8y h LEU 91 CO 0.03 0.42 0.03 1.17 0.09 0.00 0.00 178.44 180.18 1r8y n LYS 92 N -4.50 -0.07 0.07 1.13 4.81 0.20 -1.06 118.16 118.73 1r8y n LYS 92 Ca 0.13 1.26 -0.07 0.00 -0.87 0.00 0.00 58.31 58.76 1r8y n LYS 92 Cb 0.30 -2.01 -0.10 0.00 0.02 0.00 0.00 35.03 33.24 1r8y n LYS 92 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1r8y h TYR 93 N 0.00 0.00 -0.03 5.64 0.05 -1.46 -1.43 116.97 119.75 1r8y h TYR 93 Ca 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.29 1r8y h TYR 93 Cb 1.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1r8y h TYR 93 CO -0.42 0.97 -0.02 0.00 -1.05 0.00 0.00 178.16 177.65 1r8y h ALA 94 N 1.03 0.04 -0.80 3.88 0.00 -1.06 -2.59 119.26 119.75 1r8y h ALA 94 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1r8y h ALA 94 Cb 1.73 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 1r8y h ALA 94 CO 0.13 -0.22 0.51 -0.07 0.00 0.00 0.00 179.25 179.60 1r8y h LEU 95 N -0.38 0.85 -1.24 0.00 3.38 -1.15 -0.99 115.31 115.78 1r8y h LEU 95 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r8y h LEU 95 Cb 0.48 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1r8y h LEU 95 CO 0.00 0.59 0.48 0.50 0.09 0.00 0.00 178.44 180.10 1r8y h LYS 96 N 1.00 0.99 -0.03 1.13 3.64 -1.31 -0.77 116.57 121.23 1r8y h LYS 96 Ca 0.32 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.42 1r8y h LYS 96 Cb 0.01 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1r8y h LYS 96 CO -0.11 0.67 -0.82 1.49 -2.27 0.00 0.00 179.45 178.41 1r8y h GLU 97 N 1.02 0.60 -0.04 1.90 4.57 -0.97 -2.11 114.58 119.55 1r8y h GLU 97 Ca 0.27 -0.61 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1r8y h GLU 97 Cb -0.09 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1r8y h GLU 97 CO -0.06 1.22 -0.03 -0.09 -1.18 0.00 0.00 179.01 178.87 1r8y h ARG 98 N 0.22 -0.04 -0.85 1.92 2.43 -0.93 -1.67 114.38 115.46 1r8y h ARG 98 Ca -0.09 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1r8y h ARG 98 Cb 1.49 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.00 1r8y h ARG 98 CO 0.16 -0.03 0.56 2.35 -1.51 0.00 0.00 179.97 181.50 1r8y h TRP 99 N -0.05 1.03 -0.19 2.20 2.91 -1.14 -0.81 115.95 119.91 1r8y h TRP 99 Ca 0.03 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.02 1r8y h TRP 99 Cb 0.09 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.38 1r8y h TRP 99 CO -0.13 0.61 -0.13 -0.91 -1.03 0.00 0.00 178.44 176.86 1r8y h ASN 100 N 1.08 0.29 -0.77 2.65 2.35 -1.07 -2.72 115.58 117.39 1r8y h ASN 100 Ca 0.33 -0.06 -0.40 0.00 -0.55 0.00 0.00 56.30 55.62 1r8y h ASN 100 Cb -0.02 -0.08 -0.24 0.00 0.05 0.00 0.00 38.32 38.04 1r8y h ASN 100 CO -0.09 0.45 0.39 0.54 -1.65 0.00 0.00 177.43 177.07 1r8y n ARG 101 N -4.25 2.14 0.24 0.81 1.74 -0.39 -4.74 116.66 112.20 1r8y n ARG 101 Ca -0.00 -3.08 0.12 0.00 -0.77 0.00 0.00 57.85 54.12 1r8y n ARG 101 Cb 0.28 -2.06 0.53 0.00 -1.02 0.00 0.00 32.46 30.20 1r8y n ARG 101 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1r8y h ARG 102 N 1.04 0.00 0.00 5.56 0.11 -0.99 -2.56 114.38 117.54 1r8y h ARG 102 Ca 0.49 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.48 1r8y h ARG 102 Cb 2.45 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.52 1r8y h ARG 102 CO 0.85 0.15 -0.41 0.87 0.10 0.00 0.00 179.97 181.53 1r8y h LYS 103 N 0.00 0.00 -6.32 0.08 1.79 -1.85 -3.40 116.57 106.87 1r8y h LYS 103 Ca -0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1r8y h LYS 103 Cb 0.67 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1r8y h LYS 103 CO 0.02 0.39 0.98 -1.21 -1.08 0.00 0.00 179.45 178.55 1r8y s GLU 104 N -3.01 4.22 0.27 3.15 2.02 -0.96 -4.90 118.70 119.48 1r8y s GLU 104 Ca 0.05 2.10 0.02 0.00 0.02 0.00 0.00 54.97 57.15 1r8y s GLU 104 Cb 0.07 -3.78 0.39 0.00 0.10 0.00 0.00 34.13 30.91 1r8y s GLU 104 CO 0.73 -0.74 1.71 -1.35 0.02 0.00 0.00 175.26 175.64 1r8y h PRO 105 N 8.71 0.51 -0.44 0.39 0.11 -1.87 -0.49 132.00 138.91 1r8y h PRO 105 Ca -0.38 -0.19 0.13 0.00 0.11 0.00 0.00 66.00 65.66 1r8y h PRO 105 Cb 1.17 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1r8y h PRO 105 CO 0.94 0.72 0.34 0.66 -0.21 0.00 0.00 178.00 180.44 1r8y h SER 106 N 0.45 0.00 0.56 -2.05 4.64 -1.92 -0.41 113.55 114.82 1r8y h SER 106 Ca 0.07 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1r8y h SER 106 Cb 0.67 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 1r8y h SER 106 CO 0.05 0.00 -1.57 0.49 -0.87 0.00 0.00 176.83 174.93 1r8y n PHE 107 N -4.27 0.76 0.24 4.77 3.72 -0.26 -3.80 117.46 118.62 1r8y n PHE 107 Ca 0.08 0.25 0.07 0.00 -0.05 0.00 0.00 57.45 57.79 1r8y n PHE 107 Cb 0.54 -1.01 0.57 0.00 -0.94 0.00 0.00 39.48 38.64 1r8y n PHE 107 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1r8y h ASP 108 N 0.00 0.01 -0.70 4.37 3.58 -0.38 -2.66 116.42 120.64 1r8y h ASP 108 Ca -0.18 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.12 1r8y h ASP 108 Cb 1.57 -0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.52 1r8y h ASP 108 CO 0.04 0.10 0.19 0.59 -2.88 0.00 0.00 179.24 177.27 1r8y n ASN 109 N -4.44 5.19 -4.72 2.28 3.02 -0.92 -4.90 115.26 110.76 1r8y n ASN 109 Ca -0.03 -3.14 -0.37 0.00 -0.03 0.00 0.00 54.58 51.02 1r8y n ASN 109 Cb 0.16 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.54 1r8y n ASN 109 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1r8y s TRP 110 N -2.93 3.49 -0.22 3.10 -0.00 -1.01 -4.60 118.94 116.77 1r8y s TRP 110 Ca 0.55 0.79 -0.04 0.00 -0.00 0.00 0.00 56.10 57.40 1r8y s TRP 110 Cb 0.44 -2.48 -0.01 0.00 -0.00 0.00 0.00 33.47 31.42 1r8y s TRP 110 CO 0.14 0.19 -0.02 0.08 -0.00 0.00 0.00 176.95 177.34 1r8y s VAL 111 N 0.57 3.52 -0.12 5.86 1.01 -1.04 -5.05 120.40 125.15 1r8y s VAL 111 Ca 0.23 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1r8y s VAL 111 Cb -0.14 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1r8y s VAL 111 CO 0.08 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 1r8y s ILE 112 N 1.50 2.28 0.18 2.22 1.01 -1.26 -0.27 121.20 126.87 1r8y s ILE 112 Ca 0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 1r8y s ILE 112 Cb -0.14 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1r8y s ILE 112 CO -0.02 0.55 0.41 -0.70 0.00 0.00 0.00 174.94 175.17 1r8y s GLU 113 N 0.53 1.29 -0.02 2.79 2.56 -0.83 -5.00 118.70 120.02 1r8y s GLU 113 Ca -0.13 -1.04 -0.18 0.00 0.00 0.00 0.00 54.97 53.62 1r8y s GLU 113 Cb -0.17 0.45 -0.05 0.00 2.00 0.00 0.00 34.13 36.36 1r8y s GLU 113 CO 0.04 -0.51 0.50 -1.21 -0.56 0.00 0.00 175.26 173.52 1r8y s GLU 114 N -3.93 4.19 -0.24 4.30 2.02 -1.26 -2.82 118.70 120.96 1r8y s GLU 114 Ca 0.14 0.57 -0.22 0.00 0.02 0.00 0.00 54.97 55.48 1r8y s GLU 114 Cb 0.01 -3.31 0.06 0.00 0.10 0.00 0.00 34.13 30.99 1r8y s GLU 114 CO -0.01 0.46 0.63 0.00 0.02 0.00 0.00 175.26 176.36 1r8y s ALA 115 N -0.42 -1.56 -0.17 5.21 0.00 0.67 -4.86 121.76 120.64 1r8y s ALA 115 Ca 0.27 1.79 -0.06 0.00 0.00 0.00 0.00 51.96 53.96 1r8y s ALA 115 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1r8y s ALA 115 CO 0.15 -0.30 0.02 1.21 0.00 0.00 0.00 175.76 176.83 1r8y s ASN 116 N 0.38 5.26 0.29 0.00 3.84 -1.26 -2.06 114.94 121.40 1r8y s ASN 116 Ca -0.00 -0.01 0.05 0.00 0.21 0.00 0.00 52.86 53.10 1r8y s ASN 116 Cb -0.04 -1.88 0.73 0.00 -0.55 0.00 0.00 41.25 39.50 1r8y s ASN 116 CO 0.00 0.18 1.73 -0.50 -2.79 0.00 0.00 177.10 175.72 1r8y h TRP 117 N 6.67 0.84 0.00 0.43 6.55 -1.94 0.23 115.95 128.72 1r8y h TRP 117 Ca -0.34 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.53 1r8y h TRP 117 Cb 1.18 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 29.25 1r8y h TRP 117 CO 0.55 0.08 0.00 -0.07 -1.05 0.00 0.00 178.44 177.94 1r8y h LEU 118 N 0.55 0.00 -2.67 -4.49 3.38 -1.91 -2.92 115.31 107.25 1r8y h LEU 118 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1r8y h LEU 118 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1r8y h LEU 118 CO -0.46 0.00 -0.13 0.35 0.09 0.00 0.00 178.44 178.29 1r8y n THR 119 N -3.01 1.25 -0.12 0.22 -2.24 0.21 -4.87 114.28 105.73 1r8y n THR 119 Ca -0.01 -1.49 0.21 0.00 -2.27 0.00 0.00 64.05 60.49 1r8y n THR 119 Cb 0.19 0.06 0.62 0.00 -2.10 0.00 0.00 70.33 69.09 1r8y n THR 119 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1r8y h LEU 120 N 0.00 0.17 -0.94 3.22 5.85 -0.47 0.21 115.31 123.35 1r8y h LEU 120 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1r8y h LEU 120 Cb 1.07 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1r8y h LEU 120 CO 0.00 0.08 0.00 -0.90 -0.34 0.00 0.00 178.44 177.28 1r8y n ASP 121 N -4.40 0.58 0.00 1.25 3.85 -1.26 -1.93 116.55 114.63 1r8y n ASP 121 Ca 0.14 0.69 0.00 0.00 -0.71 0.00 0.00 54.79 54.91 1r8y n ASP 121 Cb 0.68 -0.80 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1r8y n ASP 121 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1r8y n LYS 122 N -2.19 0.32 -0.04 0.11 3.00 0.59 -4.61 118.16 115.33 1r8y n LYS 122 Ca 0.01 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.31 58.03 1r8y n LYS 122 Cb 0.14 -0.70 -0.06 0.00 0.00 0.00 0.00 35.03 34.41 1r8y n LYS 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1r8y n ASP 123 N -0.11 2.99 -4.14 3.14 8.00 -0.28 -4.93 116.55 121.22 1r8y n ASP 123 Ca 0.00 -0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.16 1r8y n ASP 123 Cb 0.08 0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 41.66 1r8y n ASP 123 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r8y s VAL 124 N -2.20 2.19 -0.64 2.53 1.01 -0.82 -4.91 120.40 117.56 1r8y s VAL 124 Ca -0.05 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1r8y s VAL 124 Cb 0.03 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1r8y s VAL 124 CO 0.33 0.51 1.04 -1.48 0.00 0.00 0.00 175.10 175.50 1r8y s LEU 125 N 1.30 3.98 0.00 3.92 -0.00 -1.26 -4.69 118.68 121.94 1r8y s LEU 125 Ca 0.05 -0.62 0.28 0.00 -0.00 0.00 0.00 54.13 53.83 1r8y s LEU 125 Cb -0.13 -2.61 1.29 0.00 -0.00 0.00 0.00 46.19 44.74 1r8y s LEU 125 CO -0.12 -1.47 1.92 -1.54 -0.00 0.00 0.00 176.35 175.14 1r8y n SER 126 N 8.05 0.00 0.00 1.48 3.41 -1.26 -4.98 113.62 120.32 1r8y n SER 126 Ca -0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1r8y n SER 126 Cb 0.47 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1r8y n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r8y n GLY 127 N 1.21 3.09 0.02 5.00 0.00 -1.26 -1.42 105.19 111.82 1r8y n GLY 127 Ca 0.10 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1r8y n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r8y n ASP 128 N 3.00 0.12 0.00 1.61 8.00 -1.26 -5.01 116.55 123.02 1r8y n ASP 128 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1r8y n ASP 128 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1r8y n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r8y n GLY 129 N 1.06 2.26 3.81 0.44 0.00 -0.51 -4.36 105.19 107.89 1r8y n GLY 129 Ca 0.06 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1r8y n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8y s PHE 130 N -1.64 3.24 0.30 1.61 0.40 0.11 -4.59 117.98 117.41 1r8y s PHE 130 Ca 0.00 0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1r8y s PHE 130 Cb 0.00 -1.62 0.48 0.00 0.51 0.00 0.00 43.02 42.40 1r8y s PHE 130 CO 0.00 0.53 1.85 -0.44 0.70 0.00 0.00 175.22 177.86 1r8y h ASP 131 N 2.99 0.68 -3.59 1.36 3.32 -1.24 -1.59 116.42 118.35 1r8y h ASP 131 Ca -0.47 -0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.29 1r8y h ASP 131 Cb 1.17 -0.18 -0.27 0.00 0.22 0.00 0.00 39.33 40.27 1r8y h ASP 131 CO 0.67 0.68 -0.45 0.00 -1.72 0.00 0.00 179.24 178.42 1r8y s ALA 132 N -5.17 -0.61 -0.18 3.45 0.00 -1.06 -1.36 121.76 116.83 1r8y s ALA 132 Ca -0.09 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 1r8y s ALA 132 Cb 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1r8y s ALA 132 CO 0.79 -0.16 -0.13 0.08 0.00 0.00 0.00 175.76 176.33 1r8y s VAL 133 N 0.69 2.72 0.08 0.00 1.01 0.17 -1.32 120.40 123.74 1r8y s VAL 133 Ca -0.05 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1r8y s VAL 133 Cb -0.06 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1r8y s VAL 133 CO -0.04 0.50 -0.03 0.27 0.00 0.00 0.00 175.10 175.79 1r8y s ILE 134 N 1.09 3.82 -0.42 2.22 -4.36 -0.22 -0.13 121.20 123.20 1r8y s ILE 134 Ca 0.00 -1.02 0.06 0.00 -0.26 0.00 0.00 60.65 59.43 1r8y s ILE 134 Cb -0.14 -2.79 0.17 0.00 1.25 0.00 0.00 42.46 40.95 1r8y s ILE 134 CO -0.04 0.16 0.53 0.00 0.24 0.00 0.00 174.94 175.83 1r8y n LEU 136 N 3.80 0.00 -2.14 0.00 4.77 -1.26 -2.71 117.00 119.46 1r8y n LEU 136 Ca 0.15 -2.29 -0.15 0.00 -0.03 0.00 0.00 56.01 53.69 1r8y n LEU 136 Cb 0.52 0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1r8y n LEU 136 CO 0.04 -0.38 0.02 0.61 -1.33 0.00 0.00 177.39 176.35 1r8y n GLY 137 N 0.42 -0.11 2.49 -0.72 0.00 -1.26 -3.68 105.19 102.33 1r8y n GLY 137 Ca -0.12 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1r8y n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r8y n ASN 138 N -1.14 -5.19 0.25 1.61 5.15 -1.26 -4.87 115.26 109.82 1r8y n ASN 138 Ca -0.07 0.44 0.13 0.00 -0.60 0.00 0.00 54.58 54.49 1r8y n ASN 138 Cb 0.58 -4.59 0.62 0.00 -0.53 0.00 0.00 39.78 35.86 1r8y n ASN 138 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1r8y h SER 139 N 0.00 0.00 0.93 1.20 0.02 -1.83 -2.45 113.55 111.42 1r8y h SER 139 Ca -0.41 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.45 1r8y h SER 139 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1r8y h SER 139 CO 0.58 0.12 -0.45 0.15 -1.14 0.00 0.00 176.83 176.10 1r8y h PHE 140 N 0.00 0.00 0.00 3.45 3.57 -1.88 -2.18 116.94 119.90 1r8y h PHE 140 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1r8y h PHE 140 Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1r8y h PHE 140 CO 0.00 0.45 0.00 0.00 -2.23 0.00 0.00 178.31 176.53 1r8y n ALA 141 N -2.30 1.48 0.17 2.41 0.00 -0.92 -1.28 120.51 120.06 1r8y n ALA 141 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1r8y n ALA 141 Cb 0.58 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 19.11 1r8y n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r8y h HIS 142 N 0.00 0.00 -3.64 0.00 3.86 -1.56 0.37 115.15 114.18 1r8y h HIS 142 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1r8y h HIS 142 Cb 0.08 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 1r8y h HIS 142 CO 0.00 0.44 0.85 -1.17 0.86 0.00 0.00 177.93 178.91 1r8y s LEU 143 N -6.77 3.75 0.80 2.43 2.96 -0.41 -4.81 118.68 116.63 1r8y s LEU 143 Ca 0.02 0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 1r8y s LEU 143 Cb 0.09 -3.48 0.07 0.00 0.50 0.00 0.00 46.19 43.37 1r8y s LEU 143 CO 0.71 -1.16 1.10 -2.16 -1.32 0.00 0.00 176.35 173.52 1r8y s PRO 144 N 4.20 2.08 -1.14 0.98 0.04 -1.26 -4.69 135.00 135.21 1r8y s PRO 144 Ca 0.46 0.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1r8y s PRO 144 Cb -0.08 -1.92 0.27 0.00 0.04 0.00 0.00 34.50 32.81 1r8y s PRO 144 CO 0.28 -1.63 1.65 -3.47 0.04 0.00 0.00 177.00 173.88 1r8y n ASP 145 N -3.44 6.25 0.07 6.66 2.03 -1.26 -4.83 116.55 122.03 1r8y n ASP 145 Ca 0.07 -3.36 -0.02 0.00 0.52 0.00 0.00 54.79 52.00 1r8y n ASP 145 Cb 0.56 -1.32 0.22 0.00 -0.72 0.00 0.00 41.12 39.87 1r8y n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r8y h LYS 147 N 0.29 0.39 0.00 0.00 2.10 -2.01 -3.49 116.57 113.85 1r8y h LYS 147 Ca 0.03 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1r8y h LYS 147 Cb 0.74 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1r8y h LYS 147 CO 0.06 0.89 0.00 0.41 -2.00 0.00 0.00 179.45 178.81 1r8y n GLY 148 N 0.55 3.24 3.78 0.07 0.00 -1.14 -5.07 105.19 106.62 1r8y n GLY 148 Ca -0.07 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1r8y n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1r8y s ASP 149 N 0.00 5.40 0.00 1.61 1.47 -1.26 -4.89 116.67 119.00 1r8y s ASP 149 Ca 0.00 2.01 0.00 0.00 1.18 0.00 0.00 52.55 55.74 1r8y s ASP 149 Cb 0.00 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 1r8y s ASP 149 CO 0.00 -1.43 1.51 0.00 0.68 0.00 0.00 175.17 175.93 1r8y n GLN 150 N -2.05 0.93 -0.32 2.11 6.02 -1.26 -4.43 117.38 118.38 1r8y n GLN 150 Ca 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.14 1r8y n GLN 150 Cb 0.52 -1.04 0.24 0.00 1.02 0.00 0.00 30.24 30.99 1r8y n GLN 150 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1r8y h SER 151 N 0.81 0.91 0.53 1.08 4.64 -1.98 -1.43 113.55 118.12 1r8y h SER 151 Ca 0.00 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1r8y h SER 151 Cb 0.93 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1r8y h SER 151 CO 0.00 0.56 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.63 1r8y h GLU 152 N 1.02 0.03 -0.10 4.77 5.08 -1.92 -1.99 114.58 121.46 1r8y h GLU 152 Ca 0.42 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1r8y h GLU 152 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1r8y h GLU 152 CO -0.18 0.57 0.03 0.45 -1.00 0.00 0.00 179.01 178.89 1r8y h HIS 153 N 0.02 0.15 0.00 4.33 3.86 -1.62 -0.70 115.15 121.20 1r8y h HIS 153 Ca -0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1r8y h HIS 153 Cb 0.99 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.41 1r8y h HIS 153 CO 0.00 0.29 -0.02 -0.09 0.86 0.00 0.00 177.93 178.97 1r8y h ARG 154 N -0.03 0.00 0.14 2.45 2.43 -1.12 -0.28 114.38 117.97 1r8y h ARG 154 Ca 0.03 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 1r8y h ARG 154 Cb 0.21 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1r8y h ARG 154 CO -0.00 0.02 -0.98 1.25 -1.51 0.00 0.00 179.97 178.75 1r8y h LEU 155 N 0.00 0.47 -0.19 3.80 5.85 -1.21 -2.43 115.31 121.60 1r8y h LEU 155 Ca -0.00 -0.93 0.04 0.00 0.84 0.00 0.00 57.88 57.83 1r8y h LEU 155 Cb 0.04 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1r8y h LEU 155 CO 0.00 1.46 -0.08 0.00 -0.34 0.00 0.00 178.44 179.48 1r8y h ALA 156 N 0.05 0.08 -0.26 1.25 0.00 -0.76 0.02 119.26 119.64 1r8y h ALA 156 Ca -0.18 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1r8y h ALA 156 Cb 1.70 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1r8y h ALA 156 CO 0.14 -0.51 -0.22 -0.07 0.00 0.00 0.00 179.25 178.58 1r8y h LEU 157 N -0.06 0.48 -1.04 0.00 3.38 -1.17 0.48 115.31 117.38 1r8y h LEU 157 Ca 0.10 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1r8y h LEU 157 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1r8y h LEU 157 CO -0.23 0.71 -0.47 0.11 0.09 0.00 0.00 178.44 178.65 1r8y h LYS 158 N 0.43 0.03 -0.01 1.13 1.57 -1.13 -0.47 116.57 118.12 1r8y h LYS 158 Ca 0.07 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 1r8y h LYS 158 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1r8y h LYS 158 CO 0.04 0.49 -0.97 -0.91 -0.57 0.00 0.00 179.45 177.53 1r8y h ASN 159 N 0.03 0.75 0.02 0.86 -0.26 0.10 -2.02 115.58 115.07 1r8y h ASN 159 Ca -0.00 -0.59 -0.00 0.00 -0.56 0.00 0.00 56.30 55.15 1r8y h ASN 159 Cb 0.83 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1r8y h ASN 159 CO 0.06 1.39 -0.01 0.40 -1.06 0.00 0.00 177.43 178.21 1r8y h ILE 160 N 0.34 1.07 -0.42 2.81 2.04 -1.20 -2.85 117.51 119.30 1r8y h ILE 160 Ca -0.10 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1r8y h ILE 160 Cb 1.62 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1r8y h ILE 160 CO 0.18 0.06 0.29 0.00 0.00 0.00 0.00 178.15 178.69 1r8y h ALA 161 N 0.85 2.09 0.00 1.87 0.00 -0.95 -0.16 119.26 122.97 1r8y h ALA 161 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r8y h ALA 161 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r8y h ALA 161 CO 0.00 -0.19 0.00 0.66 0.00 0.00 0.00 179.25 179.73 1r8y h SER 162 N 0.23 0.00 1.63 0.00 4.64 -1.12 -2.03 113.55 116.90 1r8y h SER 162 Ca 0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1r8y h SER 162 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1r8y h SER 162 CO -0.04 0.00 -0.02 0.24 -0.87 0.00 0.00 176.83 176.14 1r8y h MET 163 N 0.00 0.00 -6.43 4.77 2.86 -0.97 -3.46 114.93 111.71 1r8y h MET 163 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1r8y h MET 163 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1r8y h MET 163 CO 0.00 0.02 0.35 0.08 1.06 0.00 0.00 176.91 178.43 1r8y s VAL 164 N -3.37 4.80 0.86 -2.22 1.01 -0.77 0.04 120.40 120.75 1r8y s VAL 164 Ca 0.05 2.03 -0.15 0.00 0.00 0.00 0.00 61.98 63.91 1r8y s VAL 164 Cb 0.07 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1r8y s VAL 164 CO 0.63 0.20 0.29 0.54 0.00 0.00 0.00 175.10 176.76 1r8y n ARG 165 N 3.66 -0.02 -1.75 2.72 1.74 -0.60 -4.66 116.66 117.75 1r8y n ARG 165 Ca 0.05 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1r8y n ARG 165 Cb 0.51 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1r8y n ARG 165 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1r8y n PRO 166 N -0.73 2.66 -1.83 5.56 -0.02 -1.26 -2.41 135.00 136.97 1r8y n PRO 166 Ca 0.07 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.34 1r8y n PRO 166 Cb 0.52 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1r8y n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r8y n GLY 167 N 1.70 0.71 3.91 -1.23 0.00 0.13 -4.94 105.19 105.47 1r8y n GLY 167 Ca 0.07 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1r8y n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r8y s GLY 168 N -2.60 2.39 -0.04 -0.02 0.00 -1.01 -4.84 107.32 101.20 1r8y s GLY 168 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1r8y s GLY 168 CO 0.00 -1.95 -0.09 1.08 0.00 0.00 0.00 173.10 172.14 1r8y s LEU 169 N -4.30 3.07 -0.19 0.66 1.02 -0.47 -1.44 118.68 117.03 1r8y s LEU 169 Ca 0.33 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.38 1r8y s LEU 169 Cb -0.02 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.51 1r8y s LEU 169 CO 0.21 0.33 -0.18 -0.22 0.02 0.00 0.00 176.35 176.51 1r8y s LEU 170 N -1.01 2.32 -0.31 1.79 2.96 0.73 -0.66 118.68 124.50 1r8y s LEU 170 Ca 0.14 -0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 1r8y s LEU 170 Cb -0.11 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1r8y s LEU 170 CO 0.03 -0.02 0.07 -0.69 -1.32 0.00 0.00 176.35 174.43 1r8y s VAL 171 N 1.28 3.77 -0.02 1.68 1.01 0.81 -1.00 120.40 127.92 1r8y s VAL 171 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1r8y s VAL 171 Cb -0.14 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1r8y s VAL 171 CO -0.12 -0.02 0.02 -0.51 0.00 0.00 0.00 175.10 174.48 1r8y s ILE 172 N 1.44 0.01 0.43 2.22 2.07 -0.17 -0.73 121.20 126.47 1r8y s ILE 172 Ca 0.00 0.19 0.07 0.00 -1.41 0.00 0.00 60.65 59.50 1r8y s ILE 172 Cb -0.18 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.22 1r8y s ILE 172 CO 0.02 0.11 0.13 1.51 -1.91 0.00 0.00 174.94 174.80 1r8y s ASP 173 N 1.10 4.25 -0.10 4.50 -4.77 -1.10 -1.08 116.67 119.47 1r8y s ASP 173 Ca -0.09 -1.23 -0.30 0.00 -3.30 0.00 0.00 52.55 47.64 1r8y s ASP 173 Cb -0.13 -0.31 0.08 0.00 -1.09 0.00 0.00 42.92 41.47 1r8y s ASP 173 CO -0.03 -0.58 0.76 -1.38 0.70 0.00 0.00 175.17 174.64 1r8y s HIS 174 N -2.67 -0.61 0.77 2.11 -3.43 -0.77 -4.43 115.29 106.27 1r8y s HIS 174 Ca 0.36 1.12 -0.14 0.00 -0.80 0.00 0.00 55.06 55.59 1r8y s HIS 174 Cb 0.05 0.40 0.06 0.00 -1.43 0.00 0.00 32.58 31.66 1r8y s HIS 174 CO 0.19 -0.52 1.19 -2.13 -2.00 0.00 0.00 174.74 171.48 1r8y n ARG 175 N 1.11 0.38 -2.10 -0.38 0.63 -1.26 -0.81 116.66 114.23 1r8y n ARG 175 Ca -0.16 0.20 -0.28 0.00 -0.92 0.00 0.00 57.85 56.68 1r8y n ARG 175 Cb 0.57 -2.43 -0.05 0.00 0.45 0.00 0.00 32.46 30.99 1r8y n ARG 175 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1r8y s ASN 176 N -1.94 5.22 0.12 6.15 3.84 0.10 -4.69 114.94 123.74 1r8y s ASN 176 Ca 0.75 -1.11 0.26 0.00 0.21 0.00 0.00 52.86 52.97 1r8y s ASN 176 Cb -0.31 -2.57 0.77 0.00 -0.55 0.00 0.00 41.25 38.58 1r8y s ASN 176 CO 0.49 -2.75 1.67 -1.22 -2.79 0.00 0.00 177.10 172.49 1r8y n TYR 177 N 13.70 0.55 -0.16 0.43 4.01 -1.26 -2.49 117.16 131.93 1r8y n TYR 177 Ca 0.42 0.16 -0.11 0.00 -0.16 0.00 0.00 57.90 58.20 1r8y n TYR 177 Cb 0.47 -0.71 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1r8y n TYR 177 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1r8y h ASP 178 N 0.00 1.03 0.15 7.72 3.32 -1.85 -0.37 116.42 126.43 1r8y h ASP 178 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1r8y h ASP 178 Cb 0.66 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1r8y h ASP 178 CO 0.00 1.20 -0.07 0.22 -1.72 0.00 0.00 179.24 178.87 1r8y h TYR 179 N 0.86 -0.19 -0.36 4.55 3.20 -1.93 -2.84 116.97 120.26 1r8y h TYR 179 Ca 0.11 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1r8y h TYR 179 Cb 0.80 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 1r8y h TYR 179 CO 0.05 0.12 0.06 0.82 -1.64 0.00 0.00 178.16 177.58 1r8y h ILE 180 N -0.50 0.81 -0.58 1.81 2.04 -1.38 0.10 117.51 119.81 1r8y h ILE 180 Ca -0.02 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1r8y h ILE 180 Cb 0.39 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1r8y h ILE 180 CO 0.03 0.03 0.20 -0.07 0.00 0.00 0.00 178.15 178.35 1r8y h LEU 181 N 0.18 0.82 -0.87 1.44 3.38 -1.15 2.33 115.31 121.44 1r8y h LEU 181 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1r8y h LEU 181 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1r8y h LEU 181 CO -0.24 0.79 -0.15 0.77 0.09 0.00 0.00 178.44 179.71 1r8y h SER 182 N 0.81 0.00 0.09 -0.43 4.64 -1.19 -3.20 113.55 114.27 1r8y h SER 182 Ca 0.19 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.15 1r8y h SER 182 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1r8y h SER 182 CO -0.01 0.15 -2.03 0.41 -0.87 0.00 0.00 176.83 174.48 1r8y n THR 183 N -3.23 1.70 -0.36 2.95 -1.04 -0.02 -4.99 114.28 109.30 1r8y n THR 183 Ca 0.01 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1r8y n THR 183 Cb 0.45 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1r8y n THR 183 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r8y n GLY 184 N 1.97 0.97 3.28 3.41 0.00 0.78 -5.04 105.19 110.56 1r8y n GLY 184 Ca -0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1r8y n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r8y s ALA 186 N -0.57 3.41 0.37 0.00 0.00 -1.26 -4.52 121.76 119.19 1r8y s ALA 186 Ca 0.09 -2.51 -0.28 0.00 0.00 0.00 0.00 51.96 49.26 1r8y s ALA 186 Cb -0.09 -2.85 -0.11 0.00 0.00 0.00 0.00 23.12 20.07 1r8y s ALA 186 CO -0.01 -1.90 1.44 -2.14 0.00 0.00 0.00 175.76 173.16 1r8y s PRO 187 N 1.38 4.14 0.41 0.00 0.02 -1.26 -4.93 135.00 134.76 1r8y s PRO 187 Ca 0.05 2.48 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 1r8y s PRO 187 Cb -0.26 -2.97 -0.11 0.00 0.02 0.00 0.00 34.50 31.18 1r8y s PRO 187 CO -0.00 -0.48 0.94 -1.25 -0.33 0.00 0.00 177.00 175.88 1r8y s PRO 188 N -2.05 4.26 -1.14 5.54 0.04 -1.26 -4.34 135.00 136.05 1r8y s PRO 188 Ca 0.52 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 1r8y s PRO 188 Cb -0.45 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 31.83 1r8y s PRO 188 CO 0.60 0.02 0.98 0.41 0.04 0.00 0.00 177.00 179.05 1r8y n GLY 189 N -0.48 -0.32 0.54 0.56 0.00 -1.26 -4.93 105.19 99.29 1r8y n GLY 189 Ca 0.06 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1r8y n GLY 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r8y n LYS 190 N -4.18 2.16 -2.15 1.61 4.76 -1.26 -4.97 118.16 114.13 1r8y n LYS 190 Ca -0.10 -2.75 -0.43 0.00 -2.87 0.00 0.00 58.31 52.17 1r8y n LYS 190 Cb 0.59 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1r8y n LYS 190 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1r8y s ASN 191 N -2.38 6.46 0.00 4.39 3.84 -1.26 -4.88 114.94 121.10 1r8y s ASN 191 Ca 0.38 1.64 0.27 0.00 0.21 0.00 0.00 52.86 55.36 1r8y s ASN 191 Cb 0.32 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.40 1r8y s ASN 191 CO 0.06 -1.19 1.68 2.30 -2.79 0.00 0.00 177.10 177.16 1r8y n ILE 192 N 6.26 0.00 -0.11 -5.21 -6.64 -1.26 -4.00 119.36 108.40 1r8y n ILE 192 Ca 0.18 -0.03 -0.24 0.00 -1.77 0.00 0.00 62.75 60.89 1r8y n ILE 192 Cb 0.45 -0.04 -0.11 0.00 -1.44 0.00 0.00 39.64 38.50 1r8y n ILE 192 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1r8y n TYR 193 N -1.30 0.70 -3.89 4.28 4.01 -1.26 -4.40 117.16 115.31 1r8y n TYR 193 Ca 0.09 0.29 -0.28 0.00 -0.16 0.00 0.00 57.90 57.84 1r8y n TYR 193 Cb 0.32 -1.07 -0.16 0.00 -0.31 0.00 0.00 39.34 38.12 1r8y n TYR 193 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1r8y s TYR 194 N -2.42 1.70 -0.18 -0.72 2.02 -1.26 -0.36 117.35 116.14 1r8y s TYR 194 Ca -0.32 -1.09 -0.29 0.00 -0.37 0.00 0.00 57.07 55.00 1r8y s TYR 194 Cb 0.09 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1r8y s TYR 194 CO 0.57 -0.62 1.64 0.21 -1.57 0.00 0.00 175.55 175.77 1r8y s LYS 195 N 1.63 3.89 0.30 -0.62 2.20 -0.83 -4.65 119.74 121.66 1r8y s LYS 195 Ca 0.01 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.14 1r8y s LYS 195 Cb -0.15 -4.03 -0.09 0.00 -1.51 0.00 0.00 37.83 32.05 1r8y s LYS 195 CO -0.08 -1.19 1.08 -1.54 -0.36 0.00 0.00 175.35 173.27 1r8y s SER 196 N 4.08 7.17 0.00 1.43 1.04 -1.26 -4.34 113.70 121.81 1r8y s SER 196 Ca 0.72 2.21 0.26 0.00 0.48 0.00 0.00 55.95 59.63 1r8y s SER 196 Cb -0.27 -2.62 0.75 0.00 0.10 0.00 0.00 66.02 63.98 1r8y s SER 196 CO 0.29 -0.21 1.56 0.47 0.98 0.00 0.00 173.24 176.33 1r8y n ASP 197 N 0.93 1.24 -4.45 7.02 8.00 -1.26 -5.01 116.55 123.02 1r8y n ASP 197 Ca 0.00 -1.09 -0.33 0.00 0.71 0.00 0.00 54.79 54.09 1r8y n ASP 197 Cb 0.46 0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.55 1r8y n ASP 197 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r8y s LEU 198 N -2.39 2.67 -0.88 0.64 1.02 -1.26 -5.05 118.68 113.44 1r8y s LEU 198 Ca 0.27 -0.23 -0.25 0.00 0.02 0.00 0.00 54.13 53.94 1r8y s LEU 198 Cb 0.20 -1.54 -0.00 0.00 0.02 0.00 0.00 46.19 44.86 1r8y s LEU 198 CO 0.48 0.33 1.69 0.42 0.02 0.00 0.00 176.35 179.29 1r8y s THR 199 N -0.64 3.62 0.44 5.49 -4.23 -1.26 -4.98 115.64 114.08 1r8y s THR 199 Ca 0.10 -0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1r8y s THR 199 Cb -0.11 -4.46 -0.02 0.00 1.34 0.00 0.00 72.50 69.25 1r8y s THR 199 CO 0.01 -1.38 0.68 -1.59 -0.54 0.00 0.00 174.62 171.80 1r8y s LYS 200 N 6.18 3.31 -0.02 3.99 -2.85 -1.26 -3.43 119.74 125.67 1r8y s LYS 200 Ca 0.57 -0.22 0.01 0.00 -1.00 0.00 0.00 55.97 55.34 1r8y s LYS 200 Cb -0.05 -2.52 0.01 0.00 -2.06 0.00 0.00 37.83 33.20 1r8y s LYS 200 CO 0.01 -0.15 -0.03 0.34 0.10 0.00 0.00 175.35 175.62 1r8y s ASP 201 N -4.14 0.48 -0.05 0.03 -1.08 0.93 -4.91 116.67 107.92 1r8y s ASP 201 Ca 0.46 -0.06 0.03 0.00 -0.52 0.00 0.00 52.55 52.45 1r8y s ASP 201 Cb -0.10 -0.15 0.01 0.00 -1.46 0.00 0.00 42.92 41.22 1r8y s ASP 201 CO 0.40 -0.01 -0.12 -0.63 0.52 0.00 0.00 175.17 175.32 1r8y s ILE 202 N 0.37 1.11 -0.23 4.11 1.01 -1.26 0.13 121.20 126.45 1r8y s ILE 202 Ca -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1r8y s ILE 202 Cb -0.07 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.42 1r8y s ILE 202 CO -0.01 0.34 -0.10 -0.89 0.00 0.00 0.00 174.94 174.29 1r8y s THR 203 N 0.46 2.70 -0.22 2.92 2.01 -1.03 -4.99 115.64 117.48 1r8y s THR 203 Ca -0.10 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 60.76 1r8y s THR 203 Cb -0.14 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1r8y s THR 203 CO 0.03 0.31 0.53 -0.89 -0.69 0.00 0.00 174.62 173.91 1r8y s THR 204 N 1.33 5.09 -0.14 -0.82 2.01 -1.26 -1.98 115.64 119.86 1r8y s THR 204 Ca 0.02 0.96 0.01 0.00 0.31 0.00 0.00 61.69 62.99 1r8y s THR 204 Cb -0.15 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1r8y s THR 204 CO -0.07 0.14 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.39 1r8y s SER 205 N 1.26 3.47 -0.21 3.53 0.01 0.30 -4.91 113.70 117.16 1r8y s SER 205 Ca 0.24 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 1r8y s SER 205 Cb -0.15 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1r8y s SER 205 CO 0.09 0.09 0.10 -0.69 0.41 0.00 0.00 173.24 173.24 1r8y s VAL 206 N 0.75 4.96 -0.24 3.43 1.01 -1.26 -0.10 120.40 128.94 1r8y s VAL 206 Ca -0.07 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 1r8y s VAL 206 Cb -0.16 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1r8y s VAL 206 CO 0.00 0.42 0.15 -0.22 0.00 0.00 0.00 175.10 175.45 1r8y s LEU 207 N 0.66 4.07 -0.27 3.92 2.96 0.43 -5.00 118.68 125.45 1r8y s LEU 207 Ca 0.05 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1r8y s LEU 207 Cb -0.13 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.54 1r8y s LEU 207 CO 0.01 0.06 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.13 1r8y s THR 208 N 1.06 2.24 -0.26 3.68 2.01 -1.26 -1.12 115.64 121.99 1r8y s THR 208 Ca 0.07 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.19 1r8y s THR 208 Cb -0.14 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1r8y s THR 208 CO 0.04 -0.10 0.46 -0.69 -0.69 0.00 0.00 174.62 173.64 1r8y s VAL 209 N 1.09 5.11 -1.36 3.82 1.01 -0.62 -4.45 120.40 125.00 1r8y s VAL 209 Ca -0.06 0.77 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 1r8y s VAL 209 Cb -0.20 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1r8y s VAL 209 CO -0.05 0.12 0.44 0.59 0.00 0.00 0.00 175.10 176.20 1r8y n ASN 210 N 5.39 -1.58 0.00 3.32 3.02 -1.26 -0.98 115.26 123.17 1r8y n ASN 210 Ca -0.06 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1r8y n ASN 210 Cb 0.50 -2.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.10 1r8y n ASN 210 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1r8y n ASN 211 N -2.77 0.00 -4.44 6.41 4.05 -1.26 -4.98 115.26 112.26 1r8y n ASN 211 Ca -0.24 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.43 1r8y n ASN 211 Cb 0.65 -0.02 -0.13 0.00 1.23 0.00 0.00 39.78 41.52 1r8y n ASN 211 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1r8y s LYS 212 N 0.00 3.63 0.24 1.20 2.20 -0.15 -5.07 119.74 121.80 1r8y s LYS 212 Ca 0.00 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 54.80 1r8y s LYS 212 Cb 0.00 -3.24 -0.13 0.00 -1.51 0.00 0.00 37.83 32.95 1r8y s LYS 212 CO 0.00 -0.13 1.41 0.00 -0.36 0.00 0.00 175.35 176.28 1r8y n ALA 213 N 4.71 1.18 0.00 3.13 0.00 -1.26 -1.59 120.51 126.67 1r8y n ALA 213 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1r8y n ALA 213 Cb 0.51 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1r8y n ALA 213 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1r8y n HIS 214 N 1.89 0.00 -3.68 0.00 -0.00 -0.28 -4.85 115.22 108.30 1r8y n HIS 214 Ca 0.11 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.16 1r8y n HIS 214 Cb 0.32 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.10 1r8y n HIS 214 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1r8y s MET 215 N -1.35 0.65 -0.20 1.57 1.75 -1.14 -4.61 119.30 115.96 1r8y s MET 215 Ca 0.00 0.80 -0.01 0.00 -1.25 0.00 0.00 55.69 55.23 1r8y s MET 215 Cb 0.00 0.30 0.01 0.00 2.84 0.00 0.00 34.83 37.98 1r8y s MET 215 CO 0.00 -0.08 -0.12 0.08 -0.65 0.00 0.00 175.02 174.25 1r8y s VAL 216 N 0.39 2.70 -0.21 10.11 1.01 0.36 -0.43 120.40 134.35 1r8y s VAL 216 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1r8y s VAL 216 Cb -0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1r8y s VAL 216 CO -0.01 0.46 -0.04 -0.89 0.00 0.00 0.00 175.10 174.62 1r8y s THR 217 N 1.38 3.47 -0.20 3.92 2.01 0.85 -0.22 115.64 126.85 1r8y s THR 217 Ca 0.05 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1r8y s THR 217 Cb -0.14 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1r8y s THR 217 CO -0.08 0.44 0.00 -0.76 -0.69 0.00 0.00 174.62 173.53 1r8y s LEU 218 N 1.24 3.27 -0.53 4.42 1.43 0.54 -0.54 118.68 128.51 1r8y s LEU 218 Ca 0.03 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 1r8y s LEU 218 Cb -0.14 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.33 1r8y s LEU 218 CO -0.01 0.07 0.63 -1.81 0.23 0.00 0.00 176.35 175.46 1r8y s ASP 219 N 0.96 6.20 0.07 2.29 1.01 -0.84 -1.41 116.67 124.96 1r8y s ASP 219 Ca 0.01 -1.15 -0.29 0.00 0.71 0.00 0.00 52.55 51.83 1r8y s ASP 219 Cb -0.14 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1r8y s ASP 219 CO 0.02 -0.95 0.95 -0.31 0.21 0.00 0.00 175.17 175.09 1r8y s TYR 220 N 2.54 3.75 -0.35 4.23 1.51 0.17 -2.48 117.35 126.72 1r8y s TYR 220 Ca 0.13 1.73 0.01 0.00 -1.01 0.00 0.00 57.07 57.93 1r8y s TYR 220 Cb -0.22 -3.05 0.09 0.00 -0.11 0.00 0.00 41.96 38.67 1r8y s TYR 220 CO 0.09 0.14 0.09 0.99 -1.11 0.00 0.00 175.55 175.75 1r8y s THR 221 N 0.35 2.71 0.48 -0.71 2.01 0.34 -1.45 115.64 119.37 1r8y s THR 221 Ca 0.48 -2.08 0.08 0.00 0.31 0.00 0.00 61.69 60.48 1r8y s THR 221 Cb -0.22 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1r8y s THR 221 CO 0.28 -0.53 0.56 0.68 -0.69 0.00 0.00 174.62 174.93 1r8y s VAL 222 N 1.04 2.51 -0.16 3.82 -7.23 0.30 -0.05 120.40 120.63 1r8y s VAL 222 Ca 0.06 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 1r8y s VAL 222 Cb -0.21 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1r8y s VAL 222 CO -0.06 0.00 0.27 -1.10 -0.31 0.00 0.00 175.10 173.91 1r8y s GLN 223 N -4.37 4.23 0.00 4.82 1.11 -1.22 -1.26 119.66 122.96 1r8y s GLN 223 Ca 0.52 0.06 0.00 0.00 0.01 0.00 0.00 55.36 55.96 1r8y s GLN 223 Cb -0.06 -3.42 0.00 0.00 -1.01 0.00 0.00 33.01 28.52 1r8y s GLN 223 CO 0.32 0.26 0.00 0.28 0.01 0.00 0.00 175.29 176.16 1r8y n VAL 224 N 3.52 0.00 -3.93 1.09 0.31 -1.26 -4.88 118.33 113.18 1r8y n VAL 224 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 1r8y n VAL 224 Cb 0.52 -0.79 -0.14 0.00 -0.91 0.00 0.00 33.84 32.52 1r8y n VAL 224 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1r8y s PHE 235 N 0.00 3.05 0.21 3.52 0.40 -1.26 -5.27 117.98 118.62 1r8y s PHE 235 Ca 0.00 -1.37 0.11 0.00 -0.60 0.00 0.00 56.93 55.07 1r8y s PHE 235 Cb 0.00 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1r8y s PHE 235 CO 0.00 -0.68 -0.21 -1.12 0.70 0.00 0.00 175.22 173.91 1r8y s SER 236 N 1.37 3.60 -0.10 1.36 0.01 -0.39 -4.98 113.70 114.57 1r8y s SER 236 Ca 0.02 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.43 1r8y s SER 236 Cb -0.16 -0.34 0.02 0.00 0.21 0.00 0.00 66.02 65.75 1r8y s SER 236 CO -0.04 0.10 -0.10 -0.75 0.41 0.00 0.00 173.24 172.86 1r8y s LYS 237 N -2.86 1.71 0.16 12.44 2.36 -1.26 -0.54 119.74 131.75 1r8y s LYS 237 Ca 0.23 -0.36 0.02 0.00 -2.55 0.00 0.00 55.97 53.31 1r8y s LYS 237 Cb -0.07 -1.59 -0.05 0.00 -1.05 0.00 0.00 37.83 35.07 1r8y s LYS 237 CO 0.12 -0.14 -0.00 -0.59 1.55 0.00 0.00 175.35 176.28 1r8y s PHE 238 N 1.26 1.17 0.01 4.03 -0.71 -0.53 -4.44 117.98 118.77 1r8y s PHE 238 Ca -0.03 -1.01 0.03 0.00 -1.04 0.00 0.00 56.93 54.88 1r8y s PHE 238 Cb -0.14 -0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 40.99 1r8y s PHE 238 CO -0.04 -0.21 -0.09 0.50 -1.34 0.00 0.00 175.22 174.05 1r8y s ARG 239 N -3.91 0.66 0.03 1.99 3.52 -1.26 -0.66 118.95 119.32 1r8y s ARG 239 Ca 0.23 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1r8y s ARG 239 Cb 0.06 -0.60 -0.02 0.00 -1.56 0.00 0.00 34.95 32.82 1r8y s ARG 239 CO 0.03 0.16 0.01 -0.51 -0.81 0.00 0.00 175.30 174.18 1r8y s LEU 240 N -0.59 2.15 0.15 -0.88 1.43 -0.50 -5.00 118.68 115.43 1r8y s LEU 240 Ca 0.00 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1r8y s LEU 240 Cb -0.05 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.42 1r8y s LEU 240 CO 0.00 -0.44 -0.14 -0.44 0.23 0.00 0.00 176.35 175.56 1r8y s SER 241 N -2.02 2.15 0.01 2.29 0.01 -1.26 -0.33 113.70 114.54 1r8y s SER 241 Ca -0.07 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1r8y s SER 241 Cb -0.03 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1r8y s SER 241 CO -0.04 -0.17 -0.02 -0.31 0.41 0.00 0.00 173.24 173.10 1r8y s TYR 242 N -2.53 0.20 -0.15 2.43 1.51 0.69 -4.65 117.35 114.85 1r8y s TYR 242 Ca 0.14 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 55.68 1r8y s TYR 242 Cb -0.03 -0.13 -0.01 0.00 -0.11 0.00 0.00 41.96 41.68 1r8y s TYR 242 CO 0.04 -0.08 0.90 -0.47 -1.11 0.00 0.00 175.55 174.83 1r8y s TYR 243 N -0.67 3.45 -1.13 2.71 5.04 0.13 -0.48 117.35 126.40 1r8y s TYR 243 Ca -0.07 1.39 -0.21 0.00 -2.44 0.00 0.00 57.07 55.74 1r8y s TYR 243 Cb -0.05 -3.09 0.04 0.00 0.35 0.00 0.00 41.96 39.22 1r8y s TYR 243 CO -0.00 -0.25 1.62 -1.25 -1.34 0.00 0.00 175.55 174.33 1r8y s PRO 244 N 2.16 3.62 -0.27 4.97 0.04 -1.26 -4.76 135.00 139.50 1r8y s PRO 244 Ca 0.42 -1.41 -0.29 0.00 0.04 0.00 0.00 61.00 59.76 1r8y s PRO 244 Cb -0.17 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1r8y s PRO 244 CO 0.14 -2.39 1.20 -1.01 0.04 0.00 0.00 177.00 174.97 1r8y s HIS 245 N 5.31 2.93 0.44 0.56 3.76 -1.26 -4.97 115.29 122.05 1r8y s HIS 245 Ca 0.52 1.06 -0.19 0.00 -0.15 0.00 0.00 55.06 56.30 1r8y s HIS 245 Cb 0.01 -3.68 -0.10 0.00 1.11 0.00 0.00 32.58 29.92 1r8y s HIS 245 CO -0.01 -1.30 0.92 0.00 -0.85 0.00 0.00 174.74 173.50 1r8y h LEU 247 N 1.68 0.07 -0.01 0.00 5.85 -1.95 -1.27 115.31 119.69 1r8y h LEU 247 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1r8y h LEU 247 Cb 1.18 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1r8y h LEU 247 CO 0.62 0.05 -0.11 0.00 -0.34 0.00 0.00 178.44 178.66 1r8y h ALA 248 N 1.02 -0.57 -0.93 1.25 0.00 -2.00 -1.61 119.26 116.41 1r8y h ALA 248 Ca 0.02 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1r8y h ALA 248 Cb -0.00 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1r8y h ALA 248 CO -0.00 -0.61 0.52 1.03 0.00 0.00 0.00 179.25 180.19 1r8y h SER 249 N -0.13 0.64 -0.15 0.00 0.87 -1.94 -1.55 113.55 111.28 1r8y h SER 249 Ca 0.00 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1r8y h SER 249 Cb 0.14 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1r8y h SER 249 CO -0.08 0.22 -0.04 0.15 -0.53 0.00 0.00 176.83 176.55 1r8y h PHE 250 N 0.66 0.33 -0.47 2.24 3.57 -1.19 0.14 116.94 122.22 1r8y h PHE 250 Ca 0.54 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 62.03 1r8y h PHE 250 Cb 0.84 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 1r8y h PHE 250 CO -0.05 0.58 -0.50 1.15 -2.23 0.00 0.00 178.31 177.26 1r8y h THR 251 N -0.01 0.05 -0.37 4.41 2.02 -0.50 0.17 112.91 118.69 1r8y h THR 251 Ca 0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.28 1r8y h THR 251 Cb 0.47 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 1r8y h THR 251 CO 0.02 0.00 -0.48 -0.33 0.37 0.00 0.00 175.52 175.09 1r8y h GLU 252 N -0.32 -0.37 -0.25 6.66 4.39 -1.16 -0.80 114.58 122.72 1r8y h GLU 252 Ca 0.12 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.89 1r8y h GLU 252 Cb 0.58 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1r8y h GLU 252 CO -0.63 -0.25 -0.03 -0.07 -1.16 0.00 0.00 179.01 176.87 1r8y h LEU 253 N -0.39 -0.16 -0.48 1.33 3.38 0.90 -0.45 115.31 119.45 1r8y h LEU 253 Ca 0.10 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1r8y h LEU 253 Cb 0.60 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1r8y h LEU 253 CO -0.56 -0.05 -0.35 1.62 0.09 0.00 0.00 178.44 179.19 1r8y h VAL 254 N 0.04 1.28 -0.49 1.22 3.04 -0.61 -2.19 116.25 118.53 1r8y h VAL 254 Ca 0.12 -1.52 -0.00 0.00 -1.01 0.00 0.00 66.70 64.28 1r8y h VAL 254 Cb 0.17 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1r8y h VAL 254 CO -0.22 0.51 0.29 0.03 -1.01 0.00 0.00 177.57 177.16 1r8y h ARG 255 N 0.72 0.66 -0.28 4.17 3.08 -0.79 -2.22 114.38 119.73 1r8y h ARG 255 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1r8y h ARG 255 Cb 0.92 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1r8y h ARG 255 CO 0.09 0.48 0.04 0.00 -1.07 0.00 0.00 179.97 179.51 1r8y h ALA 256 N 1.14 1.56 -0.20 0.04 0.00 -0.89 -2.23 119.26 118.68 1r8y h ALA 256 Ca 0.17 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1r8y h ALA 256 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1r8y h ALA 256 CO -0.03 0.33 0.17 0.00 0.00 0.00 0.00 179.25 179.72 1r8y h ALA 257 N 1.65 2.00 -0.01 0.00 0.00 -0.75 0.20 119.26 122.35 1r8y h ALA 257 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r8y h ALA 257 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r8y h ALA 257 CO 0.00 -0.27 -0.25 1.19 0.00 0.00 0.00 179.25 179.92 1r8y n PHE 258 N -4.14 0.00 -2.46 0.00 3.72 -0.86 -4.71 117.46 109.01 1r8y n PHE 258 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 1r8y n PHE 258 Cb 0.31 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1r8y n PHE 258 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r8y n GLY 259 N 1.33 0.05 3.99 1.37 0.00 0.72 -3.03 105.19 109.62 1r8y n GLY 259 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1r8y n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r8y n GLY 260 N -1.08 2.23 3.43 -0.02 0.00 -1.08 -4.92 105.19 103.76 1r8y n GLY 260 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1r8y n GLY 260 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1r8y n ARG 261 N -1.84 3.19 -3.83 1.61 1.85 -1.17 -4.84 116.66 111.64 1r8y n ARG 261 Ca 0.00 -3.29 -0.07 0.00 -1.00 0.00 0.00 57.85 53.49 1r8y n ARG 261 Cb 0.00 -3.38 0.01 0.00 -1.05 0.00 0.00 32.46 28.04 1r8y n ARG 261 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1r8y s GLN 263 N -2.76 0.17 -0.12 0.00 -1.52 -0.37 -4.77 119.66 110.30 1r8y s GLN 263 Ca 0.15 0.44 0.03 0.00 -1.95 0.00 0.00 55.36 54.03 1r8y s GLN 263 Cb -0.05 -0.68 0.01 0.00 -0.22 0.00 0.00 33.01 32.07 1r8y s GLN 263 CO 0.09 -0.49 -0.21 -1.58 -0.25 0.00 0.00 175.29 172.84 1r8y s HIS 264 N 2.36 2.49 0.01 0.91 5.04 -1.26 -1.13 115.29 123.72 1r8y s HIS 264 Ca 0.05 -1.16 0.06 0.00 -1.54 0.00 0.00 55.06 52.47 1r8y s HIS 264 Cb -0.14 -1.70 -0.02 0.00 0.04 0.00 0.00 32.58 30.76 1r8y s HIS 264 CO -0.10 -0.52 -0.19 -1.12 -2.34 0.00 0.00 174.74 170.47 1r8y s SER 265 N 0.68 2.23 -0.25 9.88 0.01 -0.67 -5.02 113.70 120.55 1r8y s SER 265 Ca -0.11 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 56.64 1r8y s SER 265 Cb -0.16 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1r8y s SER 265 CO 0.02 0.18 0.12 0.54 0.41 0.00 0.00 173.24 174.51 1r8y s VAL 266 N -0.61 4.83 0.22 3.43 0.11 -1.26 -1.57 120.40 125.54 1r8y s VAL 266 Ca 0.07 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1r8y s VAL 266 Cb -0.08 -3.27 -0.06 0.00 -1.53 0.00 0.00 36.38 31.45 1r8y s VAL 266 CO 0.00 0.32 0.49 -0.76 -3.33 0.00 0.00 175.10 171.82 1r8y s LEU 267 N 1.50 4.16 0.00 2.54 1.43 0.40 -2.83 118.68 125.89 1r8y s LEU 267 Ca 0.06 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1r8y s LEU 267 Cb -0.15 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1r8y s LEU 267 CO 0.06 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1r8y n GLY 268 N -0.41 1.16 0.04 -3.19 0.00 0.91 -2.48 105.19 101.22 1r8y n GLY 268 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1r8y n GLY 268 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r8y n ASP 269 N 0.00 0.20 0.00 1.61 8.00 -1.26 -4.27 116.55 120.83 1r8y n ASP 269 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1r8y n ASP 269 Cb 0.00 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.64 1r8y n ASP 269 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1r8y n PHE 270 N -2.41 0.00 -2.44 1.24 0.99 -1.26 -4.90 117.46 108.68 1r8y n PHE 270 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.06 1r8y n PHE 270 Cb 0.63 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.07 1r8y n PHE 270 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1r8y s LYS 271 N -0.18 3.88 0.95 -1.08 1.02 -1.26 -4.99 119.74 118.08 1r8y s LYS 271 Ca 0.00 1.07 -0.11 0.00 0.02 0.00 0.00 55.97 56.95 1r8y s LYS 271 Cb 0.00 -2.12 0.11 0.00 -0.52 0.00 0.00 37.83 35.30 1r8y s LYS 271 CO 0.00 -0.33 0.83 -2.30 -0.92 0.00 0.00 175.35 172.63 1r8y n PRO 272 N -1.41 -0.53 -3.98 -1.68 -0.02 -1.26 0.31 135.00 126.44 1r8y n PRO 272 Ca 0.07 -0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 1r8y n PRO 272 Cb 0.54 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 1r8y n PRO 272 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1r8y s TYR 273 N -2.53 2.25 -0.23 6.00 5.04 -1.13 -3.99 117.35 122.77 1r8y s TYR 273 Ca 0.63 -1.46 -0.07 0.00 -2.44 0.00 0.00 57.07 53.73 1r8y s TYR 273 Cb -0.22 -1.57 -0.03 0.00 0.35 0.00 0.00 41.96 40.48 1r8y s TYR 273 CO 0.62 -0.71 0.07 0.15 -1.34 0.00 0.00 175.55 174.34 1r8y s LYS 274 N 1.45 3.77 0.12 4.97 3.01 -1.26 -4.88 119.74 126.91 1r8y s LYS 274 Ca -0.00 -0.43 -0.35 0.00 -1.01 0.00 0.00 55.97 54.17 1r8y s LYS 274 Cb -0.16 -3.30 -0.15 0.00 -1.01 0.00 0.00 37.83 33.21 1r8y s LYS 274 CO -0.08 -0.04 1.47 -2.30 0.51 0.00 0.00 175.35 174.90 1r8y n PRO 275 N 4.50 1.66 -1.29 -1.68 -0.02 -1.26 -0.41 135.00 136.50 1r8y n PRO 275 Ca -0.16 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.82 1r8y n PRO 275 Cb 0.52 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1r8y n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r8y n GLY 276 N 3.01 1.10 3.43 -1.23 0.00 -1.26 -5.04 105.19 105.20 1r8y n GLY 276 Ca 0.18 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1r8y n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r8y n GLN 277 N -2.00 -0.10 0.19 1.61 10.64 0.45 -4.98 117.38 123.19 1r8y n GLN 277 Ca -0.10 0.02 -0.15 0.00 -1.83 0.00 0.00 57.00 54.94 1r8y n GLN 277 Cb 0.42 -1.86 -0.07 0.00 -0.86 0.00 0.00 30.24 27.87 1r8y n GLN 277 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r8y h ALA 278 N -1.19 -0.63 -2.64 2.61 0.00 -1.96 -3.42 119.26 112.02 1r8y h ALA 278 Ca -0.44 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 1r8y h ALA 278 Cb 1.30 0.45 0.02 0.00 0.00 0.00 0.00 17.79 19.57 1r8y h ALA 278 CO 0.37 -0.89 0.61 -0.47 0.00 0.00 0.00 179.25 178.87 1r8y s TYR 279 N -6.03 3.34 -0.26 0.00 5.04 -1.26 -5.04 117.35 113.14 1r8y s TYR 279 Ca -0.16 1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.68 1r8y s TYR 279 Cb 0.06 -3.52 -0.03 0.00 0.35 0.00 0.00 41.96 38.82 1r8y s TYR 279 CO 0.64 -1.60 0.08 0.14 -1.34 0.00 0.00 175.55 173.46 1r8y s VAL 280 N 0.23 4.34 0.70 3.14 -7.23 -1.26 -5.04 120.40 115.27 1r8y s VAL 280 Ca 0.56 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.42 1r8y s VAL 280 Cb -0.34 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.56 1r8y s VAL 280 CO 0.36 0.31 1.07 -2.84 -0.31 0.00 0.00 175.10 173.68 1r8y s PRO 281 N 1.61 2.81 -0.14 4.82 0.02 -1.26 -5.00 135.00 137.87 1r8y s PRO 281 Ca 0.06 1.02 -0.04 0.00 0.02 0.00 0.00 61.00 62.06 1r8y s PRO 281 Cb -0.15 -1.97 -0.25 0.00 0.02 0.00 0.00 34.50 32.15 1r8y s PRO 281 CO 0.04 -1.20 0.30 0.00 -0.33 0.00 0.00 177.00 175.81 1r8y s TYR 283 N -2.56 2.43 -0.20 0.00 1.51 -1.26 0.00 117.35 117.28 1r8y s TYR 283 Ca -0.23 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1r8y s TYR 283 Cb 0.07 -1.14 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1r8y s TYR 283 CO 0.75 0.58 -0.17 -0.06 -1.11 0.00 0.00 175.55 175.54 1r8y s PHE 284 N -2.02 2.87 -0.21 2.71 0.08 0.01 -4.38 117.98 117.04 1r8y s PHE 284 Ca 0.26 -1.80 -0.08 0.00 0.12 0.00 0.00 56.93 55.42 1r8y s PHE 284 Cb -0.07 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1r8y s PHE 284 CO 0.14 -0.82 0.09 0.42 -0.10 0.00 0.00 175.22 174.95 1r8y s ILE 285 N 1.25 4.93 -0.24 0.64 1.01 -1.04 -1.84 121.20 125.91 1r8y s ILE 285 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1r8y s ILE 285 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1r8y s ILE 285 CO -0.11 0.42 0.10 -1.00 0.00 0.00 0.00 174.94 174.35 1r8y s HIS 286 N 0.69 3.17 -0.17 3.97 3.76 -0.24 0.15 115.29 126.62 1r8y s HIS 286 Ca 0.05 -0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1r8y s HIS 286 Cb -0.13 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.33 1r8y s HIS 286 CO 0.02 -0.17 -0.15 0.54 -0.85 0.00 0.00 174.74 174.13 1r8y s VAL 287 N 1.32 2.56 -0.09 -0.90 0.11 -0.61 -1.00 120.40 121.78 1r8y s VAL 287 Ca 0.06 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1r8y s VAL 287 Cb -0.15 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1r8y s VAL 287 CO 0.05 0.51 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.34 1r8y s LEU 288 N 1.10 2.02 -0.11 2.54 1.02 -0.17 -1.67 118.68 123.40 1r8y s LEU 288 Ca 0.00 -0.51 -0.16 0.00 0.02 0.00 0.00 54.13 53.48 1r8y s LEU 288 Cb -0.14 -1.31 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 1r8y s LEU 288 CO -0.05 0.15 0.39 -0.75 0.02 0.00 0.00 176.35 176.11 1r8y s LYS 289 N 0.34 4.22 -0.25 1.70 2.20 -0.28 -0.19 119.74 127.47 1r8y s LYS 289 Ca -0.17 0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.45 1r8y s LYS 289 Cb -0.17 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1r8y s LYS 289 CO 0.08 0.29 1.15 0.21 -0.36 0.00 0.00 175.35 176.71 1r8y s LYS 290 N 0.25 4.15 0.46 4.03 2.20 -0.52 -1.23 119.74 129.08 1r8y s LYS 290 Ca 0.22 1.35 0.12 0.00 -0.36 0.00 0.00 55.97 57.30 1r8y s LYS 290 Cb -0.14 -3.73 1.07 0.00 -1.51 0.00 0.00 37.83 33.51 1r8y s LYS 290 CO 0.08 -0.79 2.09 1.15 -0.36 0.00 0.00 175.35 177.52 1r8y h THR 291 N 5.61 1.03 0.00 3.43 2.02 -1.76 0.37 112.91 123.60 1r8y h THR 291 Ca -0.22 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1r8y h THR 291 Cb 1.08 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1r8y h THR 291 CO 1.00 0.05 0.00 0.47 0.37 0.00 0.00 175.52 177.41