#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ll5 n THR 0 N 0.00 0.00 -4.17 -2.13 -2.24 -1.26 -5.10 114.28 99.39 3ll5 n THR 0 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3ll5 n THR 0 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 3ll5 n THR 0 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3ll5 s ILE 3 N -1.17 1.01 -0.02 2.28 -4.36 -0.92 -4.58 121.20 113.44 3ll5 s ILE 3 Ca 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 3ll5 s ILE 3 Cb 0.00 -0.98 0.02 0.00 1.25 0.00 0.00 42.46 42.75 3ll5 s ILE 3 CO 0.00 -0.23 0.02 -0.22 0.24 0.00 0.00 174.94 174.75 3ll5 s LEU 4 N -1.65 1.29 -0.18 0.37 0.20 -0.94 -1.36 118.68 116.40 3ll5 s LEU 4 Ca -0.03 0.03 -0.07 0.00 0.69 0.00 0.00 54.13 54.75 3ll5 s LEU 4 Cb -0.10 -0.06 -0.04 0.00 -0.43 0.00 0.00 46.19 45.57 3ll5 s LEU 4 CO 0.02 -0.10 0.05 -0.75 -0.29 0.00 0.00 176.35 175.28 3ll5 s LYS 5 N 0.82 3.90 -0.38 1.98 2.20 0.14 -0.74 119.74 127.67 3ll5 s LYS 5 Ca -0.07 -0.39 -0.20 0.00 -0.36 0.00 0.00 55.97 54.95 3ll5 s LYS 5 Cb -0.10 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3ll5 s LYS 5 CO -0.02 0.23 0.62 0.42 -0.36 0.00 0.00 175.35 176.24 3ll5 s ILE 6 N 0.47 4.89 0.38 5.43 1.01 0.64 -1.01 121.20 133.02 3ll5 s ILE 6 Ca 0.02 0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.85 3ll5 s ILE 6 Cb -0.13 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3ll5 s ILE 6 CO 0.01 -0.37 1.15 -0.83 0.00 0.00 0.00 174.94 174.90 3ll5 s GLY 7 N 1.84 2.88 0.62 6.18 0.00 0.24 -2.09 107.32 116.99 3ll5 s GLY 7 Ca 0.23 0.94 0.41 0.00 0.00 0.00 0.00 44.72 46.30 3ll5 s GLY 7 CO 0.16 1.46 2.26 -1.33 0.00 0.00 0.00 173.10 175.64 3ll5 h GLY 8 N 2.79 0.00 2.00 0.20 0.00 -1.87 -1.77 103.07 104.42 3ll5 h GLY 8 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3ll5 h GLY 8 CO 0.63 0.00 -0.04 1.48 0.00 0.00 0.00 176.54 178.61 3ll5 h SER 9 N 0.00 0.00 0.00 0.19 4.64 -1.89 -2.32 113.55 114.17 3ll5 h SER 9 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3ll5 h SER 9 Cb 0.08 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 3ll5 h SER 9 CO 0.00 0.04 -2.31 0.52 -0.87 0.00 0.00 176.83 174.22 3ll5 n VAL 10 N -3.24 1.31 0.58 0.95 0.31 -0.68 -4.38 118.33 113.18 3ll5 n VAL 10 Ca -0.01 -0.78 0.10 0.00 -0.01 0.00 0.00 64.34 63.64 3ll5 n VAL 10 Cb 0.23 -0.57 0.13 0.00 -0.91 0.00 0.00 33.84 32.72 3ll5 n VAL 10 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3ll5 n ILE 11 N -2.75 0.23 -4.31 2.52 -5.35 -1.13 -4.83 119.36 103.74 3ll5 n ILE 11 Ca -0.32 -0.62 -0.16 0.00 -0.27 0.00 0.00 62.75 61.38 3ll5 n ILE 11 Cb 1.10 1.21 -0.10 0.00 -1.74 0.00 0.00 39.64 40.11 3ll5 n ILE 11 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3ll5 s THR 12 N -1.56 0.72 0.10 7.28 -4.23 -0.88 -1.84 115.64 115.24 3ll5 s THR 12 Ca 0.29 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 3ll5 s THR 12 Cb 0.18 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 3ll5 s THR 12 CO 0.27 -0.16 0.10 -0.90 -0.54 0.00 0.00 174.62 173.38 3ll5 n ASP 13 N -0.43 -0.26 0.14 3.99 5.75 -1.26 -4.74 116.55 119.74 3ll5 n ASP 13 Ca -0.02 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3ll5 n ASP 13 Cb 0.65 0.56 0.14 0.00 -1.03 0.00 0.00 41.12 41.44 3ll5 n ASP 13 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3ll5 h LYS 14 N 0.00 0.00 -6.60 0.11 1.57 -2.00 -3.43 116.57 106.22 3ll5 h LYS 14 Ca -0.07 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.14 3ll5 h LYS 14 Cb 0.34 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.83 3ll5 h LYS 14 CO 0.10 0.61 -0.36 0.45 -0.57 0.00 0.00 179.45 179.68 3ll5 n SER 15 N -3.56 -1.01 -0.03 0.86 2.88 -1.26 -4.90 113.62 106.60 3ll5 n SER 15 Ca -0.00 0.66 0.12 0.00 -1.33 0.00 0.00 58.87 58.33 3ll5 n SER 15 Cb 0.67 -1.21 0.31 0.00 -0.75 0.00 0.00 64.21 63.23 3ll5 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ll5 n ALA 16 N -2.05 3.35 -0.05 -1.46 0.00 -1.26 -4.14 120.51 114.89 3ll5 n ALA 16 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 3ll5 n ALA 16 Cb 0.49 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 3ll5 n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ll5 n TYR 17 N -1.39 0.00 -4.28 0.00 4.01 -1.26 -4.99 117.16 109.24 3ll5 n TYR 17 Ca 0.07 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.65 3ll5 n TYR 17 Cb 0.33 -0.59 -0.10 0.00 -0.31 0.00 0.00 39.34 38.67 3ll5 n TYR 17 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3ll5 s ARG 18 N -2.49 1.18 -0.00 -0.72 1.70 -1.26 -5.07 118.95 112.29 3ll5 s ARG 18 Ca -0.06 -1.55 0.03 0.00 -0.47 0.00 0.00 55.73 53.67 3ll5 s ARG 18 Cb 0.05 -0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 33.83 3ll5 s ARG 18 CO 0.57 -0.03 0.07 -2.37 -1.08 0.00 0.00 175.30 172.46 3ll5 n THR 19 N -0.29 0.00 -3.67 4.99 5.66 -1.26 -4.62 114.28 115.09 3ll5 n THR 19 Ca -0.08 -0.09 -0.13 0.00 -3.05 0.00 0.00 64.05 60.71 3ll5 n THR 19 Cb 0.62 0.45 -0.06 0.00 -1.55 0.00 0.00 70.33 69.79 3ll5 n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ll5 s ALA 20 N -2.19 -1.02 -0.94 1.79 0.00 -1.26 -4.69 121.76 113.46 3ll5 s ALA 20 Ca -0.01 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 3ll5 s ALA 20 Cb 0.02 0.32 0.20 0.00 0.00 0.00 0.00 23.12 23.67 3ll5 s ALA 20 CO 0.13 -0.44 0.97 1.03 0.00 0.00 0.00 175.76 177.45 3ll5 s ARG 21 N -2.38 3.75 0.25 0.00 0.52 -0.76 -4.87 118.95 115.46 3ll5 s ARG 21 Ca -0.06 -2.44 -0.04 0.00 -0.52 0.00 0.00 55.73 52.66 3ll5 s ARG 21 Cb -0.01 -4.62 0.36 0.00 0.52 0.00 0.00 34.95 31.19 3ll5 s ARG 21 CO -0.02 -1.44 1.87 1.15 0.02 0.00 0.00 175.30 176.88 3ll5 h THR 22 N 4.82 1.07 -0.17 0.02 2.02 -1.97 -1.94 112.91 116.75 3ll5 h THR 22 Ca 0.15 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3ll5 h THR 22 Cb 0.99 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3ll5 h THR 22 CO 0.92 0.20 0.11 0.22 0.37 0.00 0.00 175.52 177.34 3ll5 h TYR 23 N 1.07 0.22 -0.52 3.16 3.20 -2.00 -0.26 116.97 121.84 3ll5 h TYR 23 Ca 0.40 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.30 3ll5 h TYR 23 Cb 0.15 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3ll5 h TYR 23 CO -0.02 0.14 0.31 0.00 -1.64 0.00 0.00 178.16 176.95 3ll5 h ALA 24 N 1.06 0.67 -0.08 1.82 0.00 -1.84 -0.85 119.26 120.04 3ll5 h ALA 24 Ca 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ll5 h ALA 24 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ll5 h ALA 24 CO -0.01 0.01 -0.15 0.82 0.00 0.00 0.00 179.25 179.92 3ll5 h ILE 25 N 0.61 0.62 -0.52 0.00 2.04 -1.08 -1.02 117.51 118.16 3ll5 h ILE 25 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 3ll5 h ILE 25 Cb 0.03 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 3ll5 h ILE 25 CO -0.10 0.00 0.24 -0.09 0.00 0.00 0.00 178.15 178.20 3ll5 h ARG 26 N -0.21 0.44 -0.01 2.37 2.43 -0.80 -0.66 114.38 117.94 3ll5 h ARG 26 Ca 0.08 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 3ll5 h ARG 26 Cb 0.31 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3ll5 h ARG 26 CO -0.20 0.29 -0.84 0.66 -1.51 0.00 0.00 179.97 178.37 3ll5 h SER 27 N 0.45 0.29 -0.29 -3.80 4.64 -0.96 0.26 113.55 114.14 3ll5 h SER 27 Ca 0.24 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3ll5 h SER 27 Cb 0.21 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3ll5 h SER 27 CO -0.20 1.00 0.15 0.40 -0.87 0.00 0.00 176.83 177.31 3ll5 h ILE 28 N 0.13 1.13 -0.36 0.95 2.04 -0.90 -2.94 117.51 117.57 3ll5 h ILE 28 Ca -0.04 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.30 3ll5 h ILE 28 Cb 1.45 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3ll5 h ILE 28 CO 0.13 0.14 -0.38 0.58 0.00 0.00 0.00 178.15 178.62 3ll5 h VAL 29 N 0.34 1.28 -0.70 1.67 2.07 -0.81 0.69 116.25 120.80 3ll5 h VAL 29 Ca 0.10 -1.55 0.15 0.00 0.82 0.00 0.00 66.70 66.22 3ll5 h VAL 29 Cb 0.08 1.40 -0.11 0.00 -1.52 0.00 0.00 31.29 31.14 3ll5 h VAL 29 CO -0.02 0.51 0.14 0.50 0.02 0.00 0.00 177.57 178.73 3ll5 h LYS 30 N 0.71 0.23 -0.28 1.57 3.64 -0.52 0.14 116.57 122.06 3ll5 h LYS 30 Ca 0.06 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3ll5 h LYS 30 Cb 0.95 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3ll5 h LYS 30 CO 0.09 0.15 -0.03 0.28 -2.27 0.00 0.00 179.45 177.67 3ll5 h VAL 31 N 0.24 1.27 -0.63 2.00 2.07 -1.15 -3.02 116.25 117.03 3ll5 h VAL 31 Ca 0.39 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3ll5 h VAL 31 Cb 0.64 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3ll5 h VAL 31 CO -0.50 0.32 0.42 -0.07 0.02 0.00 0.00 177.57 177.76 3ll5 h LEU 32 N 0.29 0.62 -2.03 2.57 3.38 0.35 -0.89 115.31 119.59 3ll5 h LEU 32 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ll5 h LEU 32 Cb 0.49 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ll5 h LEU 32 CO 0.02 0.42 -0.05 0.77 0.09 0.00 0.00 178.44 179.69 3ll5 h SER 33 N 0.71 0.00 1.91 -0.43 4.64 -0.66 0.73 113.55 120.46 3ll5 h SER 33 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3ll5 h SER 33 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ll5 h SER 33 CO -0.07 0.05 -0.09 1.23 -0.87 0.00 0.00 176.83 177.07 3ll5 h GLY 34 N 1.09 0.00 -6.99 -0.77 0.00 -1.14 -3.44 103.07 91.81 3ll5 h GLY 34 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 3ll5 h GLY 34 CO 0.01 0.00 0.21 -0.42 0.00 0.00 0.00 176.54 176.34 3ll5 s ILE 35 N -3.18 4.80 0.20 2.60 1.01 0.25 -4.92 121.20 121.95 3ll5 s ILE 35 Ca 0.06 0.43 0.05 0.00 0.00 0.00 0.00 60.65 61.19 3ll5 s ILE 35 Cb 0.05 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 3ll5 s ILE 35 CO 0.68 -0.51 1.46 -0.33 0.00 0.00 0.00 174.94 176.25 3ll5 h GLU 36 N 8.72 0.16 -0.48 2.79 5.08 -1.86 -3.25 114.58 125.74 3ll5 h GLU 36 Ca -0.25 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 3ll5 h GLU 36 Cb 1.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3ll5 h GLU 36 CO 0.89 0.85 0.03 -0.25 -1.00 0.00 0.00 179.01 179.53 3ll5 n ASP 37 N -3.73 4.95 -4.64 1.42 8.00 -1.26 -4.95 116.55 116.35 3ll5 n ASP 37 Ca -0.03 -3.02 -0.43 0.00 0.71 0.00 0.00 54.79 52.03 3ll5 n ASP 37 Cb 0.73 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3ll5 n ASP 37 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ll5 s LEU 38 N -2.83 4.00 0.00 0.64 2.96 -1.23 -4.87 118.68 117.35 3ll5 s LEU 38 Ca 0.50 1.71 0.10 0.00 -0.22 0.00 0.00 54.13 56.23 3ll5 s LEU 38 Cb 0.40 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.47 3ll5 s LEU 38 CO 0.13 -1.14 0.49 1.33 -1.32 0.00 0.00 176.35 175.84 3ll5 n VAL 39 N 6.13 0.00 -3.64 1.68 0.24 -1.26 -4.88 118.33 116.60 3ll5 n VAL 39 Ca 0.18 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 3ll5 n VAL 39 Cb 0.45 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 3ll5 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ll5 s VAL 41 N 0.42 1.47 0.14 0.00 1.01 -1.01 -2.20 120.40 120.23 3ll5 s VAL 41 Ca -0.00 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.39 3ll5 s VAL 41 Cb -0.05 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3ll5 s VAL 41 CO 0.00 0.43 -0.26 -0.69 0.00 0.00 0.00 175.10 174.58 3ll5 s VAL 42 N 0.35 2.21 0.04 2.92 1.01 0.09 -1.58 120.40 125.43 3ll5 s VAL 42 Ca -0.11 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.06 3ll5 s VAL 42 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3ll5 s VAL 42 CO 0.04 0.02 -0.03 -1.38 0.00 0.00 0.00 175.10 173.75 3ll5 s HIS 43 N -1.22 0.47 0.07 5.22 -3.43 -0.67 -0.26 115.29 115.47 3ll5 s HIS 43 Ca 0.15 -0.89 0.01 0.00 -0.80 0.00 0.00 55.06 53.52 3ll5 s HIS 43 Cb -0.09 -0.34 0.01 0.00 -1.43 0.00 0.00 32.58 30.73 3ll5 s HIS 43 CO 0.07 -0.31 0.10 0.41 -2.00 0.00 0.00 174.74 173.01 3ll5 n GLY 44 N 0.56 1.94 0.06 -1.38 0.00 -0.89 -2.40 105.19 103.08 3ll5 n GLY 44 Ca -0.17 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 43.72 3ll5 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ll5 n GLY 45 N 4.11 -0.08 0.18 -0.02 0.00 -1.26 -4.22 105.19 103.89 3ll5 n GLY 45 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3ll5 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ll5 n GLY 46 N 0.70 -1.80 0.33 -0.02 0.00 -1.26 -3.72 105.19 99.42 3ll5 n GLY 46 Ca 0.01 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 3ll5 n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ll5 h SER 47 N -0.17 0.99 -0.76 1.61 4.64 -1.93 -2.26 113.55 115.67 3ll5 h SER 47 Ca -0.01 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3ll5 h SER 47 Cb 0.17 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 3ll5 h SER 47 CO 0.00 0.88 0.39 0.15 -0.87 0.00 0.00 176.83 177.39 3ll5 h PHE 48 N 1.06 1.08 -0.75 4.77 3.57 -1.84 -1.75 116.94 123.08 3ll5 h PHE 48 Ca 0.25 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3ll5 h PHE 48 Cb 0.20 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 3ll5 h PHE 48 CO 0.02 0.78 0.46 0.78 -2.23 0.00 0.00 178.31 178.11 3ll5 h GLY 49 N 1.07 1.10 0.99 2.40 0.00 -1.56 0.37 103.07 107.43 3ll5 h GLY 49 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3ll5 h GLY 49 CO -0.04 0.25 0.13 0.45 0.00 0.00 0.00 176.54 177.33 3ll5 h HIS 50 N 0.86 0.90 0.00 5.60 3.86 -1.03 -2.35 115.15 122.99 3ll5 h HIS 50 Ca 0.32 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3ll5 h HIS 50 Cb 0.10 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3ll5 h HIS 50 CO -0.05 0.78 -0.00 0.82 0.86 0.00 0.00 177.93 180.34 3ll5 h ILE 51 N 0.75 1.28 -0.69 2.45 2.04 -0.97 -2.88 117.51 119.49 3ll5 h ILE 51 Ca 0.17 -0.82 0.10 0.00 1.00 0.00 0.00 64.86 65.31 3ll5 h ILE 51 Cb 0.34 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 3ll5 h ILE 51 CO 0.00 0.21 0.30 0.50 0.00 0.00 0.00 178.15 179.17 3ll5 h LYS 52 N -0.35 0.49 0.00 2.37 3.64 -0.95 -1.08 116.57 120.69 3ll5 h LYS 52 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ll5 h LYS 52 Cb 0.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ll5 h LYS 52 CO 0.00 0.33 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 3ll5 n ALA 53 N -2.45 0.97 0.00 5.00 0.00 -0.89 -2.24 120.51 120.91 3ll5 n ALA 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3ll5 n ALA 53 Cb 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3ll5 n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ll5 n GLU 55 N 0.47 0.00 0.00 0.00 1.02 -0.41 -1.94 120.64 119.78 3ll5 n GLU 55 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3ll5 n GLU 55 Cb 0.00 0.00 0.65 0.00 -0.02 0.00 0.00 31.44 32.07 3ll5 n GLU 55 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ll5 n PHE 56 N 0.00 0.00 -2.54 -0.32 3.72 -0.95 -4.96 117.46 112.41 3ll5 n PHE 56 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3ll5 n PHE 56 Cb 0.00 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 3ll5 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ll5 n GLY 57 N 1.24 0.84 3.18 1.37 0.00 -1.04 -3.01 105.19 107.77 3ll5 n GLY 57 Ca 0.16 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3ll5 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ll5 s LEU 58 N -1.33 2.00 0.77 0.99 1.43 -0.82 -2.94 118.68 118.77 3ll5 s LEU 58 Ca 0.03 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 3ll5 s LEU 58 Cb -0.02 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.99 3ll5 s LEU 58 CO 0.04 0.15 1.12 -2.16 0.23 0.00 0.00 176.35 175.73 3ll5 s PRO 59 N 0.32 2.14 0.00 1.29 0.04 -1.26 -4.77 135.00 132.76 3ll5 s PRO 59 Ca -0.16 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.25 3ll5 s PRO 59 Cb -0.17 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3ll5 s PRO 59 CO 0.07 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.76 3ll5 n GLY 60 N -0.59 -1.97 3.75 0.56 0.00 -0.76 -5.02 105.19 101.16 3ll5 n GLY 60 Ca 0.10 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 3ll5 n GLY 60 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ll5 s PRO 61 N -1.76 2.30 -0.11 1.61 0.02 -1.26 -1.51 135.00 134.28 3ll5 s PRO 61 Ca 0.00 1.34 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 3ll5 s PRO 61 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 3ll5 s PRO 61 CO 0.00 -1.63 1.43 0.21 -0.33 0.00 0.00 177.00 176.68 3ll5 s LYS 62 N -4.51 4.21 0.37 5.54 2.20 -0.29 -4.75 119.74 122.51 3ll5 s LYS 62 Ca 0.65 1.89 -0.03 0.00 -0.36 0.00 0.00 55.97 58.12 3ll5 s LYS 62 Cb -0.20 -3.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.29 3ll5 s LYS 62 CO 0.50 -0.76 0.52 0.54 -0.36 0.00 0.00 175.35 175.80 3ll5 s ASN 63 N 2.52 0.96 0.18 1.43 2.20 -1.26 -4.97 114.94 116.01 3ll5 s ASN 63 Ca 0.63 -1.52 -0.10 0.00 -0.94 0.00 0.00 52.86 50.93 3ll5 s ASN 63 Cb -0.27 0.71 0.09 0.00 -2.00 0.00 0.00 41.25 39.78 3ll5 s ASN 63 CO 0.21 -1.38 1.70 -0.65 -2.94 0.00 0.00 177.10 174.04 3ll5 h PRO 64 N 2.06 1.02 -0.38 3.55 0.11 -1.99 0.23 132.00 136.60 3ll5 h PRO 64 Ca -0.29 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ll5 h PRO 64 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3ll5 h PRO 64 CO 0.39 0.92 0.23 -0.09 -0.21 0.00 0.00 178.00 179.24 3ll5 h ARG 65 N 0.95 0.51 -0.01 1.05 2.43 -1.98 -1.49 114.38 115.85 3ll5 h ARG 65 Ca 0.20 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3ll5 h ARG 65 Cb 0.35 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ll5 h ARG 65 CO 0.00 0.38 -0.59 0.66 -1.51 0.00 0.00 179.97 178.91 3ll5 h SER 66 N 0.50 0.04 -0.31 -3.80 4.64 -1.42 0.60 113.55 113.80 3ll5 h SER 66 Ca 0.14 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 3ll5 h SER 66 Cb -0.01 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3ll5 h SER 66 CO -0.03 0.62 -0.14 0.28 -0.87 0.00 0.00 176.83 176.69 3ll5 h SER 67 N 0.02 0.66 -0.38 4.97 0.02 -0.65 0.19 113.55 118.39 3ll5 h SER 67 Ca -0.01 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 3ll5 h SER 67 Cb 1.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3ll5 h SER 67 CO 0.08 0.92 0.12 0.40 -1.14 0.00 0.00 176.83 177.21 3ll5 h ILE 68 N 0.41 1.21 -0.91 3.27 2.04 -1.27 -2.92 117.51 119.33 3ll5 h ILE 68 Ca 0.07 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.32 3ll5 h ILE 68 Cb 0.66 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3ll5 h ILE 68 CO 0.04 0.24 0.59 1.23 0.00 0.00 0.00 178.15 180.26 3ll5 h GLY 69 N 0.47 1.34 0.16 5.37 0.00 -0.72 -2.40 103.07 107.30 3ll5 h GLY 69 Ca 0.12 -0.41 0.09 0.00 0.00 0.00 0.00 47.33 47.13 3ll5 h GLY 69 CO -0.00 0.27 -0.08 -1.82 0.00 0.00 0.00 176.54 174.91 3ll5 h TYR 70 N 1.01 -0.18 -0.39 5.60 5.03 -0.42 0.12 116.97 127.73 3ll5 h TYR 70 Ca 0.40 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.64 3ll5 h TYR 70 Cb 0.26 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 3ll5 h TYR 70 CO -0.00 -0.17 -0.22 0.77 -1.32 0.00 0.00 178.16 177.23 3ll5 h SER 71 N 0.03 0.78 -0.04 -2.11 0.02 -1.42 -2.07 113.55 108.74 3ll5 h SER 71 Ca 0.21 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3ll5 h SER 71 Cb 0.32 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3ll5 h SER 71 CO -0.43 0.98 -0.04 0.40 -1.14 0.00 0.00 176.83 176.60 3ll5 h ILE 72 N 0.67 1.37 -0.69 3.27 2.04 -0.99 -2.21 117.51 120.97 3ll5 h ILE 72 Ca 0.09 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.82 3ll5 h ILE 72 Cb 0.73 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 3ll5 h ILE 72 CO 0.06 0.31 0.44 0.58 0.00 0.00 0.00 178.15 179.54 3ll5 h VAL 73 N -0.35 1.11 -0.18 1.67 2.07 -0.77 0.83 116.25 120.63 3ll5 h VAL 73 Ca 0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ll5 h VAL 73 Cb 0.52 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3ll5 h VAL 73 CO 0.01 0.16 0.07 -0.74 0.02 0.00 0.00 177.57 177.09 3ll5 h HIS 74 N 0.87 0.27 -0.46 1.57 -0.00 -1.41 -2.73 115.15 113.25 3ll5 h HIS 74 Ca 0.27 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.71 3ll5 h HIS 74 Cb -0.01 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.24 3ll5 h HIS 74 CO -0.04 0.32 -0.00 -0.09 -0.00 0.00 0.00 177.93 178.12 3ll5 h ARG 75 N 0.14 0.11 -0.95 5.26 1.12 -1.04 0.55 114.38 119.56 3ll5 h ARG 75 Ca 0.06 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 3ll5 h ARG 75 Cb 0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 3ll5 h ARG 75 CO -0.01 0.07 0.00 -0.25 -3.11 0.00 0.00 179.97 176.68 3ll5 n ASP 76 N -5.22 0.17 0.00 -3.80 8.00 0.25 -1.21 116.55 114.74 3ll5 n ASP 76 Ca 0.04 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3ll5 n ASP 76 Cb 0.24 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3ll5 n ASP 76 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ll5 n GLU 78 N 0.69 0.00 -0.25 -1.24 2.13 0.18 -1.84 120.64 120.32 3ll5 n GLU 78 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 3ll5 n GLU 78 Cb 0.03 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.80 3ll5 n GLU 78 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3ll5 h ASN 79 N 0.00 0.79 -0.61 4.31 2.35 -1.41 0.62 115.58 121.62 3ll5 h ASN 79 Ca 0.00 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3ll5 h ASN 79 Cb 0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3ll5 h ASN 79 CO 0.00 0.57 0.34 0.25 -1.65 0.00 0.00 177.43 176.93 3ll5 h LEU 80 N 0.93 0.76 -1.05 1.61 5.85 -1.64 -3.02 115.31 118.75 3ll5 h LEU 80 Ca 0.26 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3ll5 h LEU 80 Cb -0.08 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3ll5 h LEU 80 CO -0.07 0.63 0.64 -0.78 -0.34 0.00 0.00 178.44 178.53 3ll5 h ASP 81 N 0.83 1.11 0.00 1.25 3.58 -1.70 -2.97 116.42 118.52 3ll5 h ASP 81 Ca 0.21 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3ll5 h ASP 81 Cb 0.04 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.82 3ll5 h ASP 81 CO -0.03 0.80 0.00 0.18 -2.88 0.00 0.00 179.24 177.31 3ll5 n LEU 82 N -4.39 0.00 0.00 2.28 4.77 0.16 -0.94 117.00 118.88 3ll5 n LEU 82 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3ll5 n LEU 82 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3ll5 n LEU 82 CO 0.37 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.95 3ll5 n VAL 84 N 1.30 0.00 -0.05 4.08 0.31 -1.12 -0.60 118.33 122.25 3ll5 n VAL 84 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3ll5 n VAL 84 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 3ll5 n VAL 84 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3ll5 h ILE 85 N 0.00 1.29 -0.34 2.52 1.08 -1.34 -2.98 117.51 117.74 3ll5 h ILE 85 Ca 0.00 -1.51 -0.04 0.00 -0.39 0.00 0.00 64.86 62.92 3ll5 h ILE 85 Cb 0.00 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3ll5 h ILE 85 CO 0.00 0.49 0.05 0.44 -0.69 0.00 0.00 178.15 178.43 3ll5 h ASP 86 N 0.58 0.54 0.00 1.72 3.32 -1.12 -0.75 116.42 120.71 3ll5 h ASP 86 Ca 0.06 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3ll5 h ASP 86 Cb 0.88 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3ll5 h ASP 86 CO 0.08 0.67 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 3ll5 n ALA 87 N -2.35 1.62 0.00 3.45 0.00 -1.13 -0.78 120.51 121.33 3ll5 n ALA 87 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ll5 n ALA 87 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3ll5 n ALA 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3ll5 n ILE 89 N 0.81 0.00 0.00 0.00 5.41 -0.29 -4.73 119.36 120.56 3ll5 n ILE 89 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3ll5 n ILE 89 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 3ll5 n ILE 89 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ll5 n GLU 90 N 0.00 0.00 -3.14 0.38 2.13 0.04 -5.01 120.64 115.04 3ll5 n GLU 90 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 3ll5 n GLU 90 Cb 0.00 -1.28 -0.05 0.00 0.27 0.00 0.00 31.44 30.38 3ll5 n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ll5 n GLY 92 N 1.06 2.73 2.24 8.31 0.00 -1.26 -5.20 105.19 113.07 3ll5 n GLY 92 Ca 0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3ll5 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ll5 n ARG 94 N 1.16 0.80 -2.21 1.61 1.74 -1.26 -5.17 116.66 113.33 3ll5 n ARG 94 Ca 0.20 -3.13 -0.33 0.00 -0.77 0.00 0.00 57.85 53.82 3ll5 n ARG 94 Cb 0.57 -1.36 -0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3ll5 n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ll5 s PRO 95 N -1.37 3.47 -0.15 5.56 0.04 -1.26 -2.13 135.00 139.16 3ll5 s PRO 95 Ca 0.36 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 3ll5 s PRO 95 Cb 0.23 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.79 3ll5 s PRO 95 CO -0.11 -0.69 0.26 -1.50 0.04 0.00 0.00 177.00 175.00 3ll5 s ILE 96 N -2.30 -0.40 0.15 0.56 1.10 -0.78 -4.87 121.20 114.66 3ll5 s ILE 96 Ca 0.65 0.16 -0.31 0.00 -0.51 0.00 0.00 60.65 60.64 3ll5 s ILE 96 Cb -0.16 -0.52 -0.10 0.00 0.15 0.00 0.00 42.46 41.83 3ll5 s ILE 96 CO 0.32 0.02 1.52 -0.55 -2.11 0.00 0.00 174.94 174.14 3ll5 s SER 97 N 2.40 6.64 -0.36 4.50 0.15 -1.26 -1.18 113.70 124.60 3ll5 s SER 97 Ca 0.03 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.23 3ll5 s SER 97 Cb -0.13 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.71 3ll5 s SER 97 CO -0.10 -0.78 0.17 -0.69 1.20 0.00 0.00 173.24 173.05 3ll5 s VAL 98 N 1.11 0.83 0.24 4.45 1.01 0.82 -4.86 120.40 124.00 3ll5 s VAL 98 Ca 0.69 -1.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3ll5 s VAL 98 Cb -0.42 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 3ll5 s VAL 98 CO 0.31 -0.83 1.06 -2.16 0.00 0.00 0.00 175.10 173.48 3ll5 s PRO 99 N 1.08 4.68 0.44 2.72 0.04 -1.26 -4.49 135.00 138.21 3ll5 s PRO 99 Ca 0.14 1.70 0.22 0.00 0.04 0.00 0.00 61.00 63.10 3ll5 s PRO 99 Cb -0.21 -3.24 1.20 0.00 0.04 0.00 0.00 34.50 32.29 3ll5 s PRO 99 CO -0.11 0.24 1.82 0.82 0.04 0.00 0.00 177.00 179.81 3ll5 h ILE 100 N 3.31 0.56 0.00 0.56 5.03 -1.91 -1.16 117.51 123.90 3ll5 h ILE 100 Ca -0.46 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.18 3ll5 h ILE 100 Cb 1.21 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 3ll5 h ILE 100 CO 0.69 0.06 0.00 -1.54 -0.68 0.00 0.00 178.15 176.67 3ll5 n SER 101 N -4.49 0.45 -1.09 1.72 3.41 -1.25 -1.55 113.62 110.81 3ll5 n SER 101 Ca 0.23 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 3ll5 n SER 101 Cb 0.88 -0.71 0.21 0.00 -0.26 0.00 0.00 64.21 64.33 3ll5 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ll5 n ALA 102 N -1.68 2.39 -2.52 7.33 0.00 -0.44 -4.97 120.51 120.62 3ll5 n ALA 102 Ca 0.03 -1.03 -0.32 0.00 0.00 0.00 0.00 53.44 52.12 3ll5 n ALA 102 Cb 0.21 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 3ll5 n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ll5 s LEU 103 N -1.33 4.20 0.25 0.00 1.43 -0.60 -5.03 118.68 117.60 3ll5 s LEU 103 Ca 0.37 0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 3ll5 s LEU 103 Cb 0.21 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 3ll5 s LEU 103 CO 0.29 -0.04 1.23 -0.60 0.23 0.00 0.00 176.35 177.47 3ll5 s ARG 104 N -2.81 4.47 -0.06 1.70 3.52 -1.26 -4.86 118.95 119.65 3ll5 s ARG 104 Ca 0.45 2.00 0.01 0.00 -0.13 0.00 0.00 55.73 58.05 3ll5 s ARG 104 Cb -0.11 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 3ll5 s ARG 104 CO 0.23 -0.08 -0.05 -0.47 -0.81 0.00 0.00 175.30 174.12 3ll5 s TYR 105 N -0.57 0.89 -0.10 5.12 5.04 -1.26 -0.88 117.35 125.59 3ll5 s TYR 105 Ca 0.51 -0.29 0.25 0.00 -2.44 0.00 0.00 57.07 55.09 3ll5 s TYR 105 Cb -0.35 -0.79 0.46 0.00 0.35 0.00 0.00 41.96 41.63 3ll5 s TYR 105 CO 0.42 -0.25 1.15 -0.40 -1.34 0.00 0.00 175.55 175.13 3ll5 n ASP 106 N 4.24 1.22 0.00 4.32 5.75 -1.26 -4.90 116.55 125.93 3ll5 n ASP 106 Ca -0.21 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 3ll5 n ASP 106 Cb 0.51 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3ll5 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ll5 n GLY 107 N 0.09 1.75 3.12 6.12 0.00 -1.26 -5.04 105.19 109.98 3ll5 n GLY 107 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3ll5 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ll5 s ARG 108 N -0.11 0.70 0.31 1.61 0.52 -1.26 -5.15 118.95 115.56 3ll5 s ARG 108 Ca 0.00 -1.09 -0.26 0.00 -0.52 0.00 0.00 55.73 53.86 3ll5 s ARG 108 Cb 0.00 -0.22 -0.10 0.00 0.52 0.00 0.00 34.95 35.16 3ll5 s ARG 108 CO 0.00 0.00 0.93 -0.06 0.02 0.00 0.00 175.30 176.20 3ll5 s PHE 109 N -2.73 3.72 -0.63 -0.53 0.08 -1.26 -4.36 117.98 112.28 3ll5 s PHE 109 Ca 0.03 1.78 -0.24 0.00 0.12 0.00 0.00 56.93 58.61 3ll5 s PHE 109 Cb -0.01 -2.91 0.05 0.00 -0.57 0.00 0.00 43.02 39.58 3ll5 s PHE 109 CO -0.03 0.24 1.02 0.34 -0.10 0.00 0.00 175.22 176.70 3ll5 s ASP 110 N -1.57 6.24 0.00 1.36 -1.08 -0.06 -4.89 116.67 116.67 3ll5 s ASP 110 Ca 0.49 -0.63 0.13 0.00 -0.52 0.00 0.00 52.55 52.02 3ll5 s ASP 110 Cb -0.19 -2.45 0.57 0.00 -1.46 0.00 0.00 42.92 39.38 3ll5 s ASP 110 CO 0.24 -1.44 1.40 -1.22 0.52 0.00 0.00 175.17 174.67 3ll5 n TYR 111 N 7.95 0.17 -0.34 -5.34 4.01 -1.26 -4.41 117.16 117.93 3ll5 n TYR 111 Ca -0.00 -0.08 0.14 0.00 -0.16 0.00 0.00 57.90 57.79 3ll5 n TYR 111 Cb 0.47 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.77 3ll5 n TYR 111 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3ll5 n THR 112 N -0.11 -0.41 0.09 -0.72 -1.04 -1.26 -0.09 114.28 110.73 3ll5 n THR 112 Ca 0.11 2.17 0.03 0.00 -2.04 0.00 0.00 64.05 64.32 3ll5 n THR 112 Cb 0.18 -3.15 0.43 0.00 -1.82 0.00 0.00 70.33 65.97 3ll5 n THR 112 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3ll5 h PRO 113 N 0.00 0.33 -0.15 -2.82 0.11 -2.00 -0.56 132.00 126.90 3ll5 h PRO 113 Ca 0.58 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.50 3ll5 h PRO 113 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ll5 h PRO 113 CO -0.93 0.34 -0.46 -0.07 -0.21 0.00 0.00 178.00 176.66 3ll5 h LEU 114 N 0.33 0.67 -1.19 2.35 4.07 -0.84 -2.01 115.31 118.69 3ll5 h LEU 114 Ca 0.08 -0.59 0.02 0.00 0.08 0.00 0.00 57.88 57.47 3ll5 h LEU 114 Cb 0.18 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 3ll5 h LEU 114 CO 0.00 1.15 0.55 0.40 -1.08 0.00 0.00 178.44 179.46 3ll5 h ILE 115 N 0.23 1.17 -0.37 1.22 1.08 -0.80 -1.04 117.51 119.00 3ll5 h ILE 115 Ca -0.01 -0.37 -0.15 0.00 -0.39 0.00 0.00 64.86 63.94 3ll5 h ILE 115 Cb 1.08 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 3ll5 h ILE 115 CO 0.10 0.20 -0.35 0.03 -0.69 0.00 0.00 178.15 177.44 3ll5 h ARG 116 N 1.08 0.89 -0.87 2.37 3.08 -0.99 -1.32 114.38 118.62 3ll5 h ARG 116 Ca 0.32 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3ll5 h ARG 116 Cb -0.03 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3ll5 h ARG 116 CO -0.09 1.11 0.54 1.88 -1.07 0.00 0.00 179.97 182.35 3ll5 h TYR 117 N 0.70 1.12 -0.54 3.04 0.05 -0.92 0.09 116.97 120.51 3ll5 h TYR 117 Ca 0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3ll5 h TYR 117 Cb 0.94 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 3ll5 h TYR 117 CO 0.06 0.73 0.27 0.82 -1.05 0.00 0.00 178.16 178.99 3ll5 h ILE 118 N 1.18 1.19 0.00 -2.88 2.04 -0.88 -1.07 117.51 117.10 3ll5 h ILE 118 Ca 0.31 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3ll5 h ILE 118 Cb -0.09 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3ll5 h ILE 118 CO -0.06 0.22 -0.25 0.44 0.00 0.00 0.00 178.15 178.49 3ll5 h ASP 119 N 0.72 0.00 0.05 1.72 3.32 -0.78 -1.74 116.42 119.71 3ll5 h ASP 119 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ll5 h ASP 119 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3ll5 h ASP 119 CO -0.03 0.25 -0.01 0.00 -1.72 0.00 0.00 179.24 177.73 3ll5 n ALA 120 N -2.39 2.66 -0.14 3.45 0.00 -0.02 -4.92 120.51 119.15 3ll5 n ALA 120 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3ll5 n ALA 120 Cb 0.33 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3ll5 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ll5 n GLY 121 N 1.09 0.90 3.94 0.00 0.00 -0.65 -5.06 105.19 105.41 3ll5 n GLY 121 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3ll5 n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ll5 s PHE 122 N -2.02 3.50 -0.49 1.61 0.40 -0.45 -4.90 117.98 115.62 3ll5 s PHE 122 Ca 0.00 0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 56.58 3ll5 s PHE 122 Cb 0.00 -1.89 0.12 0.00 0.51 0.00 0.00 43.02 41.76 3ll5 s PHE 122 CO 0.00 0.15 0.37 0.08 0.70 0.00 0.00 175.22 176.53 3ll5 s VAL 123 N -2.26 4.31 0.45 -0.44 1.01 -0.91 -3.93 120.40 118.63 3ll5 s VAL 123 Ca 0.40 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 3ll5 s VAL 123 Cb -0.10 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 3ll5 s VAL 123 CO 0.35 -0.79 1.19 -2.16 0.00 0.00 0.00 175.10 173.69 3ll5 s PRO 124 N 1.30 3.77 -0.09 2.72 0.04 -1.26 -1.87 135.00 139.61 3ll5 s PRO 124 Ca 0.06 1.85 0.03 0.00 0.04 0.00 0.00 61.00 62.99 3ll5 s PRO 124 Cb -0.26 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.82 3ll5 s PRO 124 CO -0.01 -0.57 -0.19 0.08 0.04 0.00 0.00 177.00 176.35 3ll5 s VAL 125 N -1.48 1.70 0.34 -0.36 1.01 -0.32 -2.40 120.40 118.89 3ll5 s VAL 125 Ca 0.63 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3ll5 s VAL 125 Cb -0.31 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3ll5 s VAL 125 CO 0.37 0.48 0.19 -0.55 0.00 0.00 0.00 175.10 175.60 3ll5 s SER 126 N 0.51 1.93 0.08 3.32 0.15 -0.62 -0.12 113.70 118.95 3ll5 s SER 126 Ca -0.16 -1.67 -0.26 0.00 0.70 0.00 0.00 55.95 54.56 3ll5 s SER 126 Cb -0.17 0.49 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 3ll5 s SER 126 CO 0.06 -0.97 0.75 -0.72 1.20 0.00 0.00 173.24 173.56 3ll5 s TYR 127 N -3.44 -0.43 0.41 3.44 1.13 -1.26 -1.67 117.35 115.52 3ll5 s TYR 127 Ca 0.34 0.26 -0.27 0.00 -1.41 0.00 0.00 57.07 55.99 3ll5 s TYR 127 Cb 0.03 0.55 -0.09 0.00 -1.10 0.00 0.00 41.96 41.35 3ll5 s TYR 127 CO 0.20 -0.71 1.41 0.20 -2.51 0.00 0.00 175.55 174.14 3ll5 s GLY 128 N -2.62 2.94 0.19 5.49 0.00 -1.01 -4.55 107.32 107.75 3ll5 s GLY 128 Ca 0.03 1.43 -0.23 0.00 0.00 0.00 0.00 44.72 45.95 3ll5 s GLY 128 CO -0.11 2.06 0.76 -0.35 0.00 0.00 0.00 173.10 175.47 3ll5 s ASP 129 N -0.44 -0.33 0.52 1.64 2.15 -0.54 -4.86 116.67 114.81 3ll5 s ASP 129 Ca 0.56 -0.35 -0.12 0.00 0.43 0.00 0.00 52.55 53.08 3ll5 s ASP 129 Cb -0.43 0.61 -0.06 0.00 -0.30 0.00 0.00 42.92 42.74 3ll5 s ASP 129 CO 0.56 -1.08 0.92 0.68 -0.17 0.00 0.00 175.17 176.08 3ll5 s VAL 130 N -3.65 4.70 0.13 1.11 -7.23 -1.26 -0.88 120.40 113.31 3ll5 s VAL 130 Ca 0.08 0.82 -0.16 0.00 -1.81 0.00 0.00 61.98 60.91 3ll5 s VAL 130 Cb -0.03 -3.79 0.04 0.00 0.56 0.00 0.00 36.38 33.15 3ll5 s VAL 130 CO -0.01 -0.82 0.40 -0.72 -0.31 0.00 0.00 175.10 173.65 3ll5 s TYR 131 N -2.76 -0.21 -0.52 2.82 -0.85 -0.68 -3.91 117.35 111.25 3ll5 s TYR 131 Ca 0.54 -0.11 -0.24 0.00 -0.52 0.00 0.00 57.07 56.74 3ll5 s TYR 131 Cb -0.10 0.26 0.04 0.00 0.38 0.00 0.00 41.96 42.53 3ll5 s TYR 131 CO 0.40 -0.70 0.89 0.42 -1.52 0.00 0.00 175.55 175.05 3ll5 s ILE 132 N -3.80 4.47 -0.04 -3.49 1.01 -1.26 -1.03 121.20 117.06 3ll5 s ILE 132 Ca 0.03 0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 3ll5 s ILE 132 Cb 0.02 -4.47 -0.26 0.00 0.01 0.00 0.00 42.46 37.76 3ll5 s ILE 132 CO -0.12 -0.99 0.99 0.50 0.00 0.00 0.00 174.94 175.32 3ll5 h LYS 133 N 9.20 0.26 -3.51 2.79 3.64 -1.68 -3.48 116.57 123.80 3ll5 h LYS 133 Ca -0.26 -0.32 -0.13 0.00 -1.27 0.00 0.00 60.65 58.68 3ll5 h LYS 133 Cb 1.08 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3ll5 h LYS 133 CO 1.05 1.06 0.06 0.16 -2.27 0.00 0.00 179.45 179.51 3ll5 s ASP 134 N -6.59 0.39 0.20 4.20 3.84 -1.07 -4.92 116.67 112.72 3ll5 s ASP 134 Ca -0.15 -1.27 0.16 0.00 -0.00 0.00 0.00 52.55 51.29 3ll5 s ASP 134 Cb 0.01 0.76 0.79 0.00 -1.38 0.00 0.00 42.92 43.10 3ll5 s ASP 134 CO 0.78 -1.49 1.48 -0.62 -0.00 0.00 0.00 175.17 175.32 3ll5 n GLU 135 N -0.54 0.10 -0.03 2.11 -0.58 -1.26 -1.68 120.64 118.77 3ll5 n GLU 135 Ca -0.04 0.53 0.03 0.00 -0.42 0.00 0.00 57.16 57.26 3ll5 n GLU 135 Cb 0.61 -1.79 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 3ll5 n GLU 135 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ll5 n HIS 136 N -1.99 0.03 -3.72 -0.32 8.25 -1.26 -4.91 115.22 111.29 3ll5 n HIS 136 Ca -0.00 -0.61 -0.12 0.00 -0.26 0.00 0.00 57.72 56.73 3ll5 n HIS 136 Cb 0.07 -0.07 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 3ll5 n HIS 136 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3ll5 s SER 137 N -1.42 -0.37 -0.09 0.41 0.01 -0.68 -1.14 113.70 110.42 3ll5 s SER 137 Ca 0.08 0.68 -0.03 0.00 1.31 0.00 0.00 55.95 58.00 3ll5 s SER 137 Cb 0.07 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 3ll5 s SER 137 CO 0.01 -0.17 0.03 -0.31 0.41 0.00 0.00 173.24 173.22 3ll5 s TYR 138 N 1.12 3.25 0.49 2.43 2.02 -0.57 -1.80 117.35 124.29 3ll5 s TYR 138 Ca -0.08 0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.92 3ll5 s TYR 138 Cb -0.08 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 3ll5 s TYR 138 CO -0.09 0.52 0.11 0.20 -1.57 0.00 0.00 175.55 174.72 3ll5 s GLY 139 N -0.91 2.73 -0.08 0.71 0.00 -0.20 -1.83 107.32 107.73 3ll5 s GLY 139 Ca 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3ll5 s GLY 139 CO 0.03 -2.09 -0.07 -0.42 0.00 0.00 0.00 173.10 170.54 3ll5 s ILE 140 N -2.79 0.86 -0.32 0.90 1.01 -1.26 -1.69 121.20 117.91 3ll5 s ILE 140 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 3ll5 s ILE 140 Cb 0.02 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.63 3ll5 s ILE 140 CO 0.11 0.32 0.13 -0.47 0.00 0.00 0.00 174.94 175.04 3ll5 s TYR 141 N 1.36 3.19 0.74 3.97 5.04 -0.06 -4.95 117.35 126.63 3ll5 s TYR 141 Ca -0.03 -0.90 -0.11 0.00 -2.44 0.00 0.00 57.07 53.59 3ll5 s TYR 141 Cb -0.14 -2.32 0.04 0.00 0.35 0.00 0.00 41.96 39.90 3ll5 s TYR 141 CO -0.03 -0.57 1.12 -1.54 -1.34 0.00 0.00 175.55 173.18 3ll5 s SER 142 N 1.53 5.01 0.41 4.32 1.04 -1.26 -1.47 113.70 123.29 3ll5 s SER 142 Ca 0.03 0.92 0.19 0.00 0.48 0.00 0.00 55.95 57.57 3ll5 s SER 142 Cb -0.18 -1.59 0.88 0.00 0.10 0.00 0.00 66.02 65.24 3ll5 s SER 142 CO 0.04 -1.58 1.85 1.23 0.98 0.00 0.00 173.24 175.76 3ll5 h GLY 143 N -0.80 0.00 1.39 7.32 0.00 -1.86 -1.57 103.07 107.55 3ll5 h GLY 143 Ca -0.45 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3ll5 h GLY 143 CO 0.64 0.00 -0.34 -0.55 0.00 0.00 0.00 176.54 176.29 3ll5 h ASP 144 N 0.00 0.71 -0.14 0.19 3.32 -1.94 -3.08 116.42 115.49 3ll5 h ASP 144 Ca -0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 3ll5 h ASP 144 Cb 0.68 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3ll5 h ASP 144 CO 0.04 0.99 0.04 0.44 -1.72 0.00 0.00 179.24 179.04 3ll5 h ASP 145 N 0.57 0.21 0.00 6.45 3.32 -1.75 -1.28 116.42 123.93 3ll5 h ASP 145 Ca 0.06 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3ll5 h ASP 145 Cb 0.86 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3ll5 h ASP 145 CO 0.07 0.35 0.00 -0.38 -1.72 0.00 0.00 179.24 177.57 3ll5 n ILE 146 N -4.85 0.00 0.00 0.35 5.41 -0.65 -1.88 119.36 117.73 3ll5 n ILE 146 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3ll5 n ILE 146 Cb 0.14 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 3ll5 n ILE 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ll5 n ALA 148 N 0.60 0.00 0.30 -1.39 0.00 -0.49 -4.52 120.51 115.01 3ll5 n ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ll5 n ALA 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ll5 n ALA 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ll5 n ASP 149 N 0.00 0.44 0.00 0.00 8.00 -0.79 -2.20 116.55 122.01 3ll5 n ASP 149 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.90 3ll5 n ASP 149 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3ll5 n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ll5 n ALA 151 N 0.47 0.00 0.10 2.24 0.00 -1.26 -1.60 120.51 120.47 3ll5 n ALA 151 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3ll5 n ALA 151 Cb 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 3ll5 n ALA 151 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ll5 h GLU 152 N 0.00 0.25 -0.52 0.00 4.81 -1.77 -1.53 114.58 115.82 3ll5 h GLU 152 Ca 0.00 -0.42 -0.12 0.00 -0.13 0.00 0.00 59.36 58.69 3ll5 h GLU 152 Cb 0.00 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3ll5 h GLU 152 CO 0.00 1.20 -0.16 -0.07 -0.73 0.00 0.00 179.01 179.25 3ll5 h LEU 153 N 0.07 1.04 0.00 1.64 3.38 -1.58 -3.38 115.31 116.48 3ll5 h LEU 153 Ca -0.12 -0.37 -0.37 0.00 0.09 0.00 0.00 57.88 57.11 3ll5 h LEU 153 Cb 1.94 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.34 3ll5 h LEU 153 CO 0.20 1.17 -2.38 0.18 0.09 0.00 0.00 178.44 177.69 3ll5 n LEU 154 N -4.13 0.12 -3.38 1.67 4.77 -1.22 -5.01 117.00 109.82 3ll5 n LEU 154 Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 3ll5 n LEU 154 Cb 0.43 0.44 0.09 0.00 -2.33 0.00 0.00 43.42 42.05 3ll5 n LEU 154 CO 0.46 0.51 0.12 0.29 -1.33 0.00 0.00 177.39 177.44 3ll5 n LYS 155 N -2.77 -6.56 -0.87 3.23 4.76 -0.58 -4.98 118.16 110.39 3ll5 n LYS 155 Ca -0.33 0.83 -0.32 0.00 -2.87 0.00 0.00 58.31 55.62 3ll5 n LYS 155 Cb 1.15 -5.79 0.15 0.00 -1.84 0.00 0.00 35.03 28.70 3ll5 n LYS 155 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ll5 s PRO 156 N -5.39 1.31 0.19 1.97 0.04 -1.26 -4.83 135.00 127.04 3ll5 s PRO 156 Ca 0.04 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3ll5 s PRO 156 Cb -0.02 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.86 3ll5 s PRO 156 CO 0.71 -2.41 1.46 -0.44 0.04 0.00 0.00 177.00 176.36 3ll5 h ASP 157 N -1.55 0.42 -3.63 6.66 3.45 -1.90 -3.14 116.42 116.73 3ll5 h ASP 157 Ca -0.44 -0.27 -0.23 0.00 0.43 0.00 0.00 57.03 56.53 3ll5 h ASP 157 Cb 1.27 -0.12 -0.29 0.00 -0.56 0.00 0.00 39.33 39.62 3ll5 h ASP 157 CO 0.44 1.00 -0.61 -0.69 -1.57 0.00 0.00 179.24 177.80 3ll5 s VAL 158 N -3.63 -0.02 -0.07 -1.35 1.01 -1.26 0.23 120.40 115.30 3ll5 s VAL 158 Ca -0.05 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3ll5 s VAL 158 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3ll5 s VAL 158 CO 0.83 0.03 -0.17 0.00 0.00 0.00 0.00 175.10 175.79 3ll5 s ALA 159 N 0.54 1.63 -0.09 5.51 0.00 -1.01 -2.17 121.76 126.17 3ll5 s ALA 159 Ca -0.04 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3ll5 s ALA 159 Cb -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3ll5 s ALA 159 CO -0.02 0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.88 3ll5 s VAL 160 N 0.37 1.48 -0.25 0.00 1.01 -0.47 -0.44 120.40 122.10 3ll5 s VAL 160 Ca -0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 3ll5 s VAL 160 Cb -0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3ll5 s VAL 160 CO 0.05 0.43 0.04 -0.36 0.00 0.00 0.00 175.10 175.27 3ll5 s PHE 161 N 0.75 3.06 -0.14 5.22 0.40 0.48 0.28 117.98 128.04 3ll5 s PHE 161 Ca -0.12 -0.67 -0.17 0.00 -0.60 0.00 0.00 56.93 55.36 3ll5 s PHE 161 Cb -0.16 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 3ll5 s PHE 161 CO 0.02 -0.45 0.45 -0.51 0.70 0.00 0.00 175.22 175.43 3ll5 s LEU 162 N 1.56 4.25 0.00 -0.37 1.43 -0.18 -2.02 118.68 123.35 3ll5 s LEU 162 Ca 0.05 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3ll5 s LEU 162 Cb -0.15 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3ll5 s LEU 162 CO 0.02 -0.01 0.00 0.35 0.23 0.00 0.00 176.35 176.93 3ll5 n THR 163 N 3.81 0.00 1.32 5.49 -2.24 -0.49 -0.60 114.28 121.58 3ll5 n THR 163 Ca -0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 3ll5 n THR 163 Cb 0.51 0.00 0.42 0.00 -2.10 0.00 0.00 70.33 69.16 3ll5 n THR 163 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ll5 n ASP 164 N -1.02 1.21 -4.61 3.42 5.75 -1.26 -0.28 116.55 119.76 3ll5 n ASP 164 Ca 0.00 -1.10 -0.27 0.00 -0.01 0.00 0.00 54.79 53.41 3ll5 n ASP 164 Cb 0.00 0.09 -0.10 0.00 -1.03 0.00 0.00 41.12 40.08 3ll5 n ASP 164 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ll5 s VAL 165 N -2.34 2.18 -0.24 2.12 -7.23 -1.26 -4.83 120.40 108.80 3ll5 s VAL 165 Ca 0.29 -2.03 0.28 0.00 -1.81 0.00 0.00 61.98 58.71 3ll5 s VAL 165 Cb 0.20 -2.87 0.31 0.00 0.56 0.00 0.00 36.38 34.58 3ll5 s VAL 165 CO 0.46 -0.08 1.83 0.44 -0.31 0.00 0.00 175.10 177.43 3ll5 h ASP 166 N 1.81 0.00 -0.00 4.85 3.32 -1.91 -3.08 116.42 121.42 3ll5 h ASP 166 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3ll5 h ASP 166 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3ll5 h ASP 166 CO 0.75 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 3ll5 n GLY 167 N 0.10 -0.65 3.70 2.75 0.00 -1.26 -3.97 105.19 105.87 3ll5 n GLY 167 Ca 0.02 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3ll5 n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ll5 s ILE 168 N -3.00 4.43 0.47 -0.61 1.01 -1.26 -4.97 121.20 117.26 3ll5 s ILE 168 Ca 0.00 1.74 0.07 0.00 0.00 0.00 0.00 60.65 62.45 3ll5 s ILE 168 Cb 0.00 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 3ll5 s ILE 168 CO 0.00 0.06 0.33 -0.31 0.00 0.00 0.00 174.94 175.01 3ll5 s TYR 169 N 1.68 2.26 0.13 3.97 4.12 -1.26 -1.13 117.35 127.12 3ll5 s TYR 169 Ca 0.54 -0.66 -0.16 0.00 0.02 0.00 0.00 57.07 56.81 3ll5 s TYR 169 Cb -0.24 -2.01 -0.02 0.00 -1.52 0.00 0.00 41.96 38.18 3ll5 s TYR 169 CO 0.24 -0.16 1.65 0.66 0.02 0.00 0.00 175.55 177.96 3ll5 h SER 170 N 1.04 0.55 -4.43 2.29 4.64 -1.67 -3.45 113.55 112.52 3ll5 h SER 170 Ca -0.40 -0.20 -0.45 0.00 -0.47 0.00 0.00 61.79 60.28 3ll5 h SER 170 Cb 1.28 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 63.12 3ll5 h SER 170 CO 0.61 0.60 -0.38 0.29 -0.87 0.00 0.00 176.83 177.08 3ll5 n LYS 171 N -4.63 0.62 -2.11 4.77 5.02 -1.26 -5.01 118.16 115.56 3ll5 n LYS 171 Ca -0.01 -2.81 -0.34 0.00 -2.02 0.00 0.00 58.31 53.13 3ll5 n LYS 171 Cb 0.17 1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 36.73 3ll5 n LYS 171 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ll5 s ASP 172 N -3.03 5.36 0.61 4.39 2.15 -1.26 -4.85 116.67 120.03 3ll5 s ASP 172 Ca 0.18 -0.19 0.23 0.00 0.43 0.00 0.00 52.55 53.20 3ll5 s ASP 172 Cb 0.01 -2.55 0.89 0.00 -0.30 0.00 0.00 42.92 40.98 3ll5 s ASP 172 CO 0.13 -2.43 1.36 1.55 -0.17 0.00 0.00 175.17 175.61 3ll5 h PRO 173 N 12.96 0.00 -0.69 4.34 0.13 -1.96 -0.88 132.00 145.91 3ll5 h PRO 173 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3ll5 h PRO 173 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3ll5 h PRO 173 CO 1.23 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 179.36 3ll5 n LYS 174 N -3.19 3.61 0.00 0.86 2.85 -1.26 -3.53 118.16 117.50 3ll5 n LYS 174 Ca 0.17 -2.20 0.00 0.00 -1.05 0.00 0.00 58.31 55.23 3ll5 n LYS 174 Cb 1.31 -1.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.71 3ll5 n LYS 174 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3ll5 n ARG 175 N 0.51 0.31 -3.35 -1.58 1.74 -0.34 -4.99 116.66 108.95 3ll5 n ARG 175 Ca 0.19 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.82 3ll5 n ARG 175 Cb 0.87 -0.86 -0.04 0.00 -1.02 0.00 0.00 32.46 31.41 3ll5 n ARG 175 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ll5 s ASN 176 N -3.59 6.32 0.33 0.55 -0.87 -1.16 -4.82 114.94 111.69 3ll5 s ASN 176 Ca 0.00 -2.13 0.22 0.00 -1.57 0.00 0.00 52.86 49.38 3ll5 s ASN 176 Cb 0.00 -2.19 1.19 0.00 -0.02 0.00 0.00 41.25 40.23 3ll5 s ASN 176 CO 0.00 -0.74 1.69 -0.81 -2.57 0.00 0.00 177.10 174.67 3ll5 n PRO 177 N 4.75 0.15 0.00 -0.60 -0.04 -1.26 -1.17 135.00 136.83 3ll5 n PRO 177 Ca -0.04 0.62 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 3ll5 n PRO 177 Cb 0.42 -1.97 0.65 0.00 -0.04 0.00 0.00 33.50 32.57 3ll5 n PRO 177 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ll5 n ASP 178 N -2.28 0.00 -4.72 3.54 5.75 -1.26 -4.90 116.55 112.67 3ll5 n ASP 178 Ca -0.01 -1.09 -0.42 0.00 -0.01 0.00 0.00 54.79 53.26 3ll5 n ASP 178 Cb 0.05 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 3ll5 n ASP 178 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ll5 s ALA 179 N -2.00 3.25 -0.20 2.12 0.00 -0.31 -4.99 121.76 119.62 3ll5 s ALA 179 Ca 0.33 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 3ll5 s ALA 179 Cb 0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3ll5 s ALA 179 CO 0.25 -0.18 -0.05 0.08 0.00 0.00 0.00 175.76 175.86 3ll5 s VAL 180 N 0.49 3.43 -0.42 0.00 1.01 -1.26 -4.92 120.40 118.72 3ll5 s VAL 180 Ca 0.51 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 3ll5 s VAL 180 Cb -0.24 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3ll5 s VAL 180 CO 0.30 0.44 1.85 -0.22 0.00 0.00 0.00 175.10 177.47 3ll5 s LEU 181 N 1.22 3.44 0.78 3.92 2.96 -1.26 -1.65 118.68 128.09 3ll5 s LEU 181 Ca 0.03 1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 54.80 3ll5 s LEU 181 Cb -0.14 -3.16 0.06 0.00 0.50 0.00 0.00 46.19 43.44 3ll5 s LEU 181 CO -0.01 -1.97 1.17 0.18 -1.32 0.00 0.00 176.35 174.39 3ll5 n LEU 182 N 11.32 4.42 0.00 -0.68 4.77 -0.28 -4.97 117.00 131.58 3ll5 n LEU 182 Ca 0.23 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 3ll5 n LEU 182 Cb 0.49 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3ll5 n LEU 182 CO 0.69 -1.69 -0.17 0.54 -1.33 0.00 0.00 177.39 175.43 3ll5 n ARG 183 N -2.86 0.91 -3.06 3.23 5.12 -1.26 -4.45 116.66 114.29 3ll5 n ARG 183 Ca 0.14 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.89 3ll5 n ARG 183 Cb 0.50 -0.67 -0.00 0.00 -1.16 0.00 0.00 32.46 31.12 3ll5 n ARG 183 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3ll5 n ASP 184 N -1.31 -0.19 -4.62 0.55 4.64 -1.26 -1.90 116.55 112.46 3ll5 n ASP 184 Ca 0.00 -3.14 -0.43 0.00 -1.38 0.00 0.00 54.79 49.84 3ll5 n ASP 184 Cb 0.17 0.09 -0.03 0.00 -1.04 0.00 0.00 41.12 40.32 3ll5 n ASP 184 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3ll5 s ILE 185 N -1.48 4.50 0.97 5.18 1.01 -0.04 -4.82 121.20 126.53 3ll5 s ILE 185 Ca 0.35 1.44 -0.11 0.00 0.00 0.00 0.00 60.65 62.33 3ll5 s ILE 185 Cb 0.31 -4.41 0.18 0.00 0.01 0.00 0.00 42.46 38.54 3ll5 s ILE 185 CO -0.09 -0.58 1.09 -0.62 0.00 0.00 0.00 174.94 174.75 3ll5 s ASP 186 N 1.86 2.60 -0.49 3.58 2.15 -1.26 -3.38 116.67 121.73 3ll5 s ASP 186 Ca 0.43 1.78 -0.21 0.00 0.43 0.00 0.00 52.55 54.98 3ll5 s ASP 186 Cb -0.11 -2.38 0.04 0.00 -0.30 0.00 0.00 42.92 40.16 3ll5 s ASP 186 CO 0.19 -3.23 0.71 0.42 -0.17 0.00 0.00 175.17 173.09 3ll5 s THR 187 N -2.69 4.73 0.00 1.71 -4.23 -1.23 -4.86 115.64 109.08 3ll5 s THR 187 Ca 0.66 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 3ll5 s THR 187 Cb -0.22 -4.32 0.00 0.00 1.34 0.00 0.00 72.50 69.30 3ll5 s THR 187 CO 0.59 -0.80 0.00 0.59 -0.54 0.00 0.00 174.62 174.46 3ll5 n ASN 188 N 6.53 0.00 0.00 3.99 3.02 -1.26 -5.16 115.26 122.38 3ll5 n ASN 188 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3ll5 n ASN 188 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3ll5 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ll5 n ILE 202 N 0.00 0.00 0.03 2.41 0.13 -1.26 -5.29 119.36 115.38 3ll5 n ILE 202 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 3ll5 n ILE 202 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 3ll5 n ILE 202 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3ll5 h GLY 203 N 0.00 -0.44 0.95 4.50 0.00 -2.05 -1.48 103.07 104.54 3ll5 h GLY 203 Ca 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 3ll5 h GLY 203 CO 0.00 -0.22 -0.13 0.50 0.00 0.00 0.00 176.54 176.69 3ll5 h LYS 204 N -0.41 0.70 0.22 4.80 1.79 -2.06 -3.09 116.57 118.51 3ll5 h LYS 204 Ca 0.08 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3ll5 h LYS 204 Cb 0.53 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 3ll5 h LYS 204 CO -0.31 0.88 -0.19 -0.22 -1.08 0.00 0.00 179.45 178.53 3ll5 h LYS 205 N 0.48 -0.41 -0.78 3.15 3.64 -1.91 -1.49 116.57 119.24 3ll5 h LYS 205 Ca 0.08 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.67 3ll5 h LYS 205 Cb 0.65 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.45 3ll5 h LYS 205 CO 0.04 -0.28 0.24 0.35 -2.27 0.00 0.00 179.45 177.54 3ll5 h PHE 206 N -0.43 0.39 -0.06 1.91 3.57 -1.29 0.65 116.94 121.67 3ll5 h PHE 206 Ca -0.01 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3ll5 h PHE 206 Cb 0.39 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3ll5 h PHE 206 CO -0.14 -0.06 -0.42 0.93 -2.23 0.00 0.00 178.31 176.39 3ll5 h GLU 207 N 0.32 0.13 -1.31 1.11 5.08 -1.32 -2.16 114.58 116.42 3ll5 h GLU 207 Ca 0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3ll5 h GLU 207 Cb 0.79 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3ll5 h GLU 207 CO -0.51 0.53 0.00 0.43 -1.00 0.00 0.00 179.01 178.46 3ll5 n SER 208 N -4.03 1.42 0.00 1.42 7.64 0.22 -2.04 113.62 118.25 3ll5 n SER 208 Ca -0.02 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3ll5 n SER 208 Cb 0.47 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3ll5 n SER 208 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ll5 n VAL 210 N 0.65 0.00 0.00 0.44 0.31 -0.81 -4.65 118.33 114.27 3ll5 n VAL 210 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ll5 n VAL 210 Cb 0.24 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 3ll5 n VAL 210 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3ll5 n LYS 211 N 0.00 0.00 0.00 5.55 5.02 -0.86 -4.18 118.16 123.69 3ll5 n LYS 211 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ll5 n LYS 211 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3ll5 n LYS 211 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ll5 n LYS 213 N 0.76 0.00 0.00 1.97 3.00 -1.26 -4.65 118.16 117.98 3ll5 n LYS 213 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 3ll5 n LYS 213 Cb 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 35.03 34.15 3ll5 n LYS 213 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3ll5 n SER 214 N 0.00 0.00 0.00 3.14 3.41 -1.26 -2.86 113.62 116.06 3ll5 n SER 214 Ca 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3ll5 n SER 214 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ll5 n SER 214 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ll5 n SER 215 N -0.52 0.15 -3.76 4.04 7.64 -1.26 -5.04 113.62 114.86 3ll5 n SER 215 Ca 0.01 -0.50 -0.26 0.00 1.01 0.00 0.00 58.87 59.13 3ll5 n SER 215 Cb 0.00 0.25 -0.17 0.00 -1.01 0.00 0.00 64.21 63.29 3ll5 n SER 215 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ll5 s VAL 216 N -0.25 0.56 -0.00 0.44 1.01 -1.13 -4.00 120.40 117.02 3ll5 s VAL 216 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 3ll5 s VAL 216 Cb 0.00 -0.93 -0.27 0.00 0.00 0.00 0.00 36.38 35.18 3ll5 s VAL 216 CO 0.00 -0.04 1.04 0.11 0.00 0.00 0.00 175.10 176.21 3ll5 h LYS 217 N 8.25 0.42 -0.98 2.72 1.57 -1.51 -2.93 116.57 124.11 3ll5 h LYS 217 Ca -0.18 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.06 3ll5 h LYS 217 Cb 1.12 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 3ll5 h LYS 217 CO 0.32 1.19 0.02 0.09 -0.57 0.00 0.00 179.45 180.50 3ll5 n ASN 218 N -4.12 1.90 -0.34 0.86 4.13 0.13 -5.02 115.26 112.80 3ll5 n ASN 218 Ca -0.12 -2.10 0.00 0.00 1.68 0.00 0.00 54.58 54.05 3ll5 n ASN 218 Cb 0.77 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 3ll5 n ASN 218 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ll5 n GLY 219 N 0.15 -0.02 3.15 7.41 0.00 -1.11 -4.85 105.19 109.91 3ll5 n GLY 219 Ca 0.03 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 3ll5 n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ll5 s VAL 220 N 0.00 1.40 0.10 1.61 1.01 -1.22 -2.41 120.40 120.89 3ll5 s VAL 220 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.34 3ll5 s VAL 220 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3ll5 s VAL 220 CO 0.00 0.40 -0.21 -0.31 0.00 0.00 0.00 175.10 174.98 3ll5 s TYR 221 N -0.18 1.82 -0.04 5.22 1.51 0.42 -0.77 117.35 125.32 3ll5 s TYR 221 Ca 0.02 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 3ll5 s TYR 221 Cb -0.09 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 3ll5 s TYR 221 CO 0.01 0.21 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.91 3ll5 s LEU 222 N -1.89 2.16 -0.02 -1.29 1.43 -0.57 -0.38 118.68 118.12 3ll5 s LEU 222 Ca 0.07 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3ll5 s LEU 222 Cb -0.10 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.75 3ll5 s LEU 222 CO 0.04 0.29 0.23 -0.63 0.23 0.00 0.00 176.35 176.51 3ll5 s ILE 223 N -0.43 0.06 -0.23 -0.59 1.01 -0.85 -2.15 121.20 118.01 3ll5 s ILE 223 Ca 0.05 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3ll5 s ILE 223 Cb -0.12 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 3ll5 s ILE 223 CO 0.01 -0.27 1.43 0.21 0.00 0.00 0.00 174.94 176.32 3ll5 s ASN 224 N -1.15 6.61 0.00 3.58 3.84 -1.17 -1.39 114.94 125.26 3ll5 s ASN 224 Ca -0.12 1.50 0.19 0.00 0.21 0.00 0.00 52.86 54.64 3ll5 s ASN 224 Cb -0.06 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.98 3ll5 s ASN 224 CO 0.03 -1.08 1.61 0.61 -2.79 0.00 0.00 177.10 175.48 3ll5 n GLY 225 N 4.32 -1.09 0.10 1.21 0.00 0.62 -1.45 105.19 108.90 3ll5 n GLY 225 Ca 0.16 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3ll5 n GLY 225 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ll5 n ASN 226 N -1.43 0.71 -3.20 1.61 3.02 -1.26 -3.86 115.26 110.84 3ll5 n ASN 226 Ca 0.06 0.59 -0.24 0.00 -0.03 0.00 0.00 54.58 54.96 3ll5 n ASN 226 Cb 0.20 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 3ll5 n ASN 226 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ll5 n HIS 227 N -2.18 1.30 0.20 3.10 8.25 -0.53 -4.98 115.22 120.39 3ll5 n HIS 227 Ca 0.05 -3.82 0.04 0.00 -0.26 0.00 0.00 57.72 53.73 3ll5 n HIS 227 Cb 0.38 -0.43 0.43 0.00 1.12 0.00 0.00 29.99 31.49 3ll5 n HIS 227 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ll5 h PRO 228 N 3.62 0.00 -0.56 -0.41 0.11 -1.67 -2.67 132.00 130.43 3ll5 h PRO 228 Ca 0.11 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.39 3ll5 h PRO 228 Cb 0.80 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3ll5 h PRO 228 CO 0.61 0.28 0.47 1.05 -0.21 0.00 0.00 178.00 180.20 3ll5 h GLU 229 N 0.00 0.00 0.00 1.05 9.09 -1.90 0.56 114.58 123.38 3ll5 h GLU 229 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ll5 h GLU 229 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3ll5 h GLU 229 CO 0.04 0.00 0.10 0.54 0.05 0.00 0.00 179.01 179.73 3ll5 n ARG 230 N -4.05 0.00 0.12 1.06 1.74 -1.01 -0.38 116.66 114.15 3ll5 n ARG 230 Ca 0.11 0.35 -0.02 0.00 -0.77 0.00 0.00 57.85 57.52 3ll5 n ARG 230 Cb 0.69 -1.60 0.12 0.00 -1.02 0.00 0.00 32.46 30.65 3ll5 n ARG 230 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3ll5 h ILE 231 N 0.00 1.43 -0.11 0.55 2.04 -0.09 -3.03 117.51 118.30 3ll5 h ILE 231 Ca 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3ll5 h ILE 231 Cb 0.20 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3ll5 h ILE 231 CO 0.00 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.42 3ll5 n GLY 232 N 0.53 0.91 0.13 5.37 0.00 0.49 -3.06 105.19 109.56 3ll5 n GLY 232 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.89 3ll5 n GLY 232 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ll5 n ASP 233 N 0.01 0.99 -4.65 1.61 8.00 -1.14 -4.95 116.55 116.42 3ll5 n ASP 233 Ca 0.05 -0.99 -0.48 0.00 0.71 0.00 0.00 54.79 54.08 3ll5 n ASP 233 Cb 0.29 0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 3ll5 n ASP 233 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ll5 n ILE 234 N -0.21 0.54 0.00 0.53 5.41 -1.17 -2.16 119.36 122.30 3ll5 n ILE 234 Ca 0.02 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3ll5 n ILE 234 Cb 0.11 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.07 3ll5 n ILE 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ll5 n GLY 235 N 4.76 3.04 3.11 7.39 0.00 -1.26 -5.05 105.19 117.19 3ll5 n GLY 235 Ca 0.25 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 3ll5 n GLY 235 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ll5 n LYS 236 N 0.00 -0.02 -0.13 1.61 5.02 -0.92 -4.87 118.16 118.85 3ll5 n LYS 236 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3ll5 n LYS 236 Cb 0.00 -1.16 0.29 0.00 -0.02 0.00 0.00 35.03 34.14 3ll5 n LYS 236 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ll5 n GLU 237 N 1.64 2.11 0.00 1.97 -0.58 -1.26 -3.64 120.64 120.88 3ll5 n GLU 237 Ca 0.01 -1.68 0.02 0.00 -0.42 0.00 0.00 57.16 55.10 3ll5 n GLU 237 Cb 0.54 -1.45 0.15 0.00 -0.57 0.00 0.00 31.44 30.11 3ll5 n GLU 237 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3ll5 n SER 238 N 0.90 0.00 -4.45 1.62 2.88 -1.26 -4.85 113.62 108.46 3ll5 n SER 238 Ca 0.17 -1.37 -0.43 0.00 -1.33 0.00 0.00 58.87 55.91 3ll5 n SER 238 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 3ll5 n SER 238 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3ll5 s PHE 239 N -2.00 2.73 -0.43 0.66 5.36 -1.24 -5.00 117.98 118.06 3ll5 s PHE 239 Ca 0.07 -0.57 -0.29 0.00 -0.96 0.00 0.00 56.93 55.18 3ll5 s PHE 239 Cb 0.03 -4.23 0.02 0.00 -0.34 0.00 0.00 43.02 38.50 3ll5 s PHE 239 CO 0.06 -1.57 1.28 0.42 -1.46 0.00 0.00 175.22 173.94 3ll5 s ILE 240 N 3.85 4.07 0.00 3.12 1.01 -1.26 -4.92 121.20 127.06 3ll5 s ILE 240 Ca 0.21 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.96 3ll5 s ILE 240 Cb -0.18 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.92 3ll5 s ILE 240 CO 0.10 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.82 3ll5 n GLY 241 N 4.88 -0.17 3.46 6.18 0.00 -1.25 -4.79 105.19 113.49 3ll5 n GLY 241 Ca 0.14 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3ll5 n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ll5 s THR 242 N -1.92 3.13 0.02 2.61 2.01 -0.91 -4.62 115.64 115.96 3ll5 s THR 242 Ca 0.00 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3ll5 s THR 242 Cb 0.00 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 3ll5 s THR 242 CO 0.00 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 3ll5 s VAL 243 N -0.40 1.86 -0.75 3.82 1.01 -0.80 -1.51 120.40 123.64 3ll5 s VAL 243 Ca 0.05 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3ll5 s VAL 243 Cb -0.12 -1.58 0.19 0.00 0.00 0.00 0.00 36.38 34.86 3ll5 s VAL 243 CO 0.02 0.36 0.58 -0.38 0.00 0.00 0.00 175.10 175.69 3ll5 n ILE 244 N 2.06 2.01 1.94 2.22 5.41 0.05 -0.86 119.36 132.20 3ll5 n ILE 244 Ca -0.16 -4.96 0.16 0.00 1.00 0.00 0.00 62.75 58.78 3ll5 n ILE 244 Cb 0.52 -2.22 0.92 0.00 -0.71 0.00 0.00 39.64 38.16 3ll5 n ILE 244 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44