#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ll5 s ILE 3 N 0.00 0.07 -0.05 2.28 -4.36 -1.06 -4.72 121.20 113.36 3ll5 s ILE 3 Ca 0.00 -0.56 -0.05 0.00 -0.26 0.00 0.00 60.65 59.77 3ll5 s ILE 3 Cb 0.00 -0.32 0.01 0.00 1.25 0.00 0.00 42.46 43.41 3ll5 s ILE 3 CO 0.00 -0.31 0.14 -0.22 0.24 0.00 0.00 174.94 174.79 3ll5 s LEU 4 N -1.02 1.47 -0.11 0.37 0.20 -1.09 -1.29 118.68 117.21 3ll5 s LEU 4 Ca -0.11 0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.93 3ll5 s LEU 4 Cb -0.06 0.51 -0.02 0.00 -0.43 0.00 0.00 46.19 46.19 3ll5 s LEU 4 CO 0.01 -0.09 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.12 3ll5 s LYS 5 N -0.11 3.15 -0.38 1.98 2.20 0.17 -0.78 119.74 125.96 3ll5 s LYS 5 Ca -0.02 -0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 54.79 3ll5 s LYS 5 Cb -0.02 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 3ll5 s LYS 5 CO 0.00 0.38 0.40 0.42 -0.36 0.00 0.00 175.35 176.19 3ll5 s ILE 6 N -0.06 5.13 0.33 5.43 1.01 0.84 -0.83 121.20 133.04 3ll5 s ILE 6 Ca -0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 3ll5 s ILE 6 Cb -0.14 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 3ll5 s ILE 6 CO 0.03 -0.25 1.35 -0.83 0.00 0.00 0.00 174.94 175.24 3ll5 s GLY 7 N 1.77 2.90 0.53 6.18 0.00 -0.10 -0.74 107.32 117.85 3ll5 s GLY 7 Ca 0.12 1.31 0.35 0.00 0.00 0.00 0.00 44.72 46.51 3ll5 s GLY 7 CO 0.13 2.01 2.07 -1.33 0.00 0.00 0.00 173.10 175.98 3ll5 h GLY 8 N 3.55 0.00 2.00 0.20 0.00 -1.87 -2.43 103.07 104.52 3ll5 h GLY 8 Ca -0.49 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3ll5 h GLY 8 CO 0.67 0.00 -0.54 1.48 0.00 0.00 0.00 176.54 178.15 3ll5 h SER 9 N 0.00 0.00 0.58 0.19 4.64 -1.89 -2.24 113.55 114.83 3ll5 h SER 9 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3ll5 h SER 9 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3ll5 h SER 9 CO 0.00 0.54 -1.54 0.52 -0.87 0.00 0.00 176.83 175.48 3ll5 n VAL 10 N -3.56 1.05 0.66 0.95 0.31 -0.93 -4.39 118.33 112.43 3ll5 n VAL 10 Ca -0.00 -0.68 0.09 0.00 -0.01 0.00 0.00 64.34 63.74 3ll5 n VAL 10 Cb 0.62 -0.61 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 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 -2.80 0.07 -4.20 2.52 -5.35 -1.13 -4.80 119.36 103.68 3ll5 n ILE 11 Ca -0.11 -0.54 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 3ll5 n ILE 11 Cb 0.82 1.31 -0.10 0.00 -1.74 0.00 0.00 39.64 39.93 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 -1.44 0.52 -0.46 7.28 -4.23 -0.85 -0.59 115.64 115.88 3ll5 s THR 12 Ca 0.22 -1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 58.58 3ll5 s THR 12 Cb 0.15 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 72.03 3ll5 s THR 12 CO 0.22 -0.57 0.65 -0.62 -0.54 0.00 0.00 174.62 173.77 3ll5 s ASP 13 N -3.11 6.29 0.55 3.99 -1.08 0.94 -4.70 116.67 119.56 3ll5 s ASP 13 Ca 0.21 -0.49 0.31 0.00 -0.52 0.00 0.00 52.55 52.06 3ll5 s ASP 13 Cb 0.06 -2.32 1.57 0.00 -1.46 0.00 0.00 42.92 40.78 3ll5 s ASP 13 CO 0.01 -0.83 2.09 0.11 0.52 0.00 0.00 175.17 177.07 3ll5 h LYS 14 N 8.93 0.00 -0.00 4.34 1.57 -1.85 -2.23 116.57 127.33 3ll5 h LYS 14 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3ll5 h LYS 14 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3ll5 h LYS 14 CO 0.92 0.08 -0.17 -1.13 -0.57 0.00 0.00 179.45 178.58 3ll5 n SER 15 N -3.42 0.25 -3.93 0.86 3.41 -1.26 -4.41 113.62 105.12 3ll5 n SER 15 Ca -0.01 0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 3ll5 n SER 15 Cb 0.23 -0.18 -0.17 0.00 -0.26 0.00 0.00 64.21 63.84 3ll5 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ll5 s ALA 16 N -2.87 1.56 -0.02 7.33 0.00 -0.84 -5.10 121.76 121.82 3ll5 s ALA 16 Ca 0.17 -0.81 -0.40 0.00 0.00 0.00 0.00 51.96 50.92 3ll5 s ALA 16 Cb 0.19 -1.08 -0.19 0.00 0.00 0.00 0.00 23.12 22.04 3ll5 s ALA 16 CO 0.57 -0.63 1.18 0.98 0.00 0.00 0.00 175.76 177.86 3ll5 n TYR 17 N 4.85 0.95 -3.99 0.00 9.36 -1.26 -1.92 117.16 125.15 3ll5 n TYR 17 Ca -0.13 0.96 -0.30 0.00 3.32 0.00 0.00 57.90 61.75 3ll5 n TYR 17 Cb 0.48 -2.16 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 3ll5 n TYR 17 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ll5 n ARG 18 N 1.99 -4.22 -3.82 2.98 1.74 -0.84 -4.93 116.66 109.56 3ll5 n ARG 18 Ca 0.21 0.49 -0.36 0.00 -0.77 0.00 0.00 57.85 57.41 3ll5 n ARG 18 Cb 0.10 -5.11 -0.13 0.00 -1.02 0.00 0.00 32.46 26.30 3ll5 n ARG 18 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ll5 s THR 19 N -3.50 3.41 0.16 0.55 2.01 -0.81 -5.01 115.64 112.45 3ll5 s THR 19 Ca 0.45 -1.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 3ll5 s THR 19 Cb -0.23 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 3ll5 s THR 19 CO 0.87 -0.18 0.45 0.00 -0.69 0.00 0.00 174.62 175.08 3ll5 s ALA 20 N 1.32 3.68 -0.82 7.40 0.00 -1.26 -0.04 121.76 132.04 3ll5 s ALA 20 Ca -0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 3ll5 s ALA 20 Cb -0.20 -2.29 0.21 0.00 0.00 0.00 0.00 23.12 20.84 3ll5 s ALA 20 CO 0.01 0.58 0.74 1.03 0.00 0.00 0.00 175.76 178.11 3ll5 s ARG 21 N -2.48 3.41 0.25 0.00 0.52 0.24 -4.76 118.95 116.15 3ll5 s ARG 21 Ca 0.41 -2.65 -0.06 0.00 -0.52 0.00 0.00 55.73 52.91 3ll5 s ARG 21 Cb -0.12 -4.24 0.28 0.00 0.52 0.00 0.00 34.95 31.39 3ll5 s ARG 21 CO 0.21 -1.25 1.93 1.15 0.02 0.00 0.00 175.30 177.36 3ll5 h THR 22 N 4.68 1.25 -0.58 0.02 2.02 -1.96 -1.42 112.91 116.93 3ll5 h THR 22 Ca 0.09 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 3ll5 h THR 22 Cb 0.98 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3ll5 h THR 22 CO 0.78 0.25 -0.05 0.10 0.37 0.00 0.00 175.52 176.97 3ll5 h TYR 23 N 1.32 1.16 -0.49 3.16 -0.00 -1.97 -1.70 116.97 118.44 3ll5 h TYR 23 Ca 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 58.73 58.83 3ll5 h TYR 23 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 36.73 36.29 3ll5 h TYR 23 CO 0.00 1.04 0.20 0.00 -0.00 0.00 0.00 178.16 179.40 3ll5 h ALA 24 N 0.96 0.64 -0.37 0.10 0.00 -1.71 -1.61 119.26 117.26 3ll5 h ALA 24 Ca 0.16 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ll5 h ALA 24 Cb 0.61 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3ll5 h ALA 24 CO 0.04 0.25 0.05 0.82 0.00 0.00 0.00 179.25 180.41 3ll5 h ILE 25 N 0.66 0.79 -0.36 0.00 2.04 -0.78 -1.49 117.51 118.35 3ll5 h ILE 25 Ca 0.16 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 3ll5 h ILE 25 Cb 0.20 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3ll5 h ILE 25 CO -0.01 0.03 -0.14 0.03 0.00 0.00 0.00 178.15 178.06 3ll5 h ARG 26 N 0.17 0.74 -0.57 2.37 3.08 -1.15 -0.23 114.38 118.78 3ll5 h ARG 26 Ca 0.18 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3ll5 h ARG 26 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3ll5 h ARG 26 CO -0.25 0.91 0.13 1.03 -1.07 0.00 0.00 179.97 180.71 3ll5 h SER 27 N 0.53 0.87 -0.15 7.04 0.87 -1.16 -0.69 113.55 120.86 3ll5 h SER 27 Ca 0.09 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3ll5 h SER 27 Cb 0.67 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3ll5 h SER 27 CO 0.05 0.89 0.04 0.40 -0.53 0.00 0.00 176.83 177.68 3ll5 h ILE 28 N 0.82 1.19 -0.28 2.23 2.04 -1.19 -3.11 117.51 119.21 3ll5 h ILE 28 Ca 0.18 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 3ll5 h ILE 28 Cb 0.37 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3ll5 h ILE 28 CO 0.00 0.18 -0.26 0.58 0.00 0.00 0.00 178.15 178.66 3ll5 h VAL 29 N 0.06 1.27 -0.79 1.67 2.07 -0.79 -0.69 116.25 119.05 3ll5 h VAL 29 Ca 0.05 -1.31 0.16 0.00 0.82 0.00 0.00 66.70 66.42 3ll5 h VAL 29 Cb 0.24 1.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.24 3ll5 h VAL 29 CO -0.00 0.42 0.31 0.50 0.02 0.00 0.00 177.57 178.82 3ll5 h LYS 30 N 0.49 0.40 -0.08 1.57 3.64 -1.15 0.11 116.57 121.55 3ll5 h LYS 30 Ca 0.07 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 3ll5 h LYS 30 Cb 0.70 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3ll5 h LYS 30 CO 0.05 0.26 -0.44 0.28 -2.27 0.00 0.00 179.45 177.34 3ll5 h VAL 31 N 0.41 1.39 -0.97 2.00 2.07 -1.23 -3.19 116.25 116.73 3ll5 h VAL 31 Ca 0.45 -1.81 0.16 0.00 0.82 0.00 0.00 66.70 66.32 3ll5 h VAL 31 Cb 0.75 2.28 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 3ll5 h VAL 31 CO -0.45 0.53 0.61 -0.07 0.02 0.00 0.00 177.57 178.21 3ll5 h LEU 32 N -0.00 0.78 -2.09 2.57 3.38 -0.57 -1.08 115.31 118.30 3ll5 h LEU 32 Ca -0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ll5 h LEU 32 Cb 1.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ll5 h LEU 32 CO 0.09 0.36 -0.08 0.77 0.09 0.00 0.00 178.44 179.67 3ll5 h SER 33 N 0.81 0.00 0.99 -0.43 4.64 -0.78 -0.79 113.55 117.99 3ll5 h SER 33 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3ll5 h SER 33 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3ll5 h SER 33 CO -0.28 0.08 -0.17 0.61 -0.87 0.00 0.00 176.83 176.19 3ll5 n GLY 34 N -0.77 -1.49 3.50 -0.77 0.00 -0.41 -4.79 105.19 100.46 3ll5 n GLY 34 Ca -0.02 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3ll5 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ll5 s ILE 35 N -3.04 4.20 0.24 -0.61 1.01 -0.30 -4.91 121.20 117.79 3ll5 s ILE 35 Ca 0.12 0.04 0.19 0.00 0.00 0.00 0.00 60.65 61.00 3ll5 s ILE 35 Cb 0.17 -4.70 0.15 0.00 0.01 0.00 0.00 42.46 38.09 3ll5 s ILE 35 CO 0.60 -1.44 1.80 -0.33 0.00 0.00 0.00 174.94 175.57 3ll5 h GLU 36 N 9.59 0.00 -0.69 2.79 5.08 -1.86 -2.30 114.58 127.20 3ll5 h GLU 36 Ca -0.28 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.87 3ll5 h GLU 36 Cb 1.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 3ll5 h GLU 36 CO 1.18 0.34 0.24 -0.40 -1.00 0.00 0.00 179.01 179.36 3ll5 n ASP 37 N -3.65 4.55 -4.62 1.42 5.68 -1.26 -4.92 116.55 113.76 3ll5 n ASP 37 Ca -0.01 -3.27 -0.43 0.00 -0.50 0.00 0.00 54.79 50.58 3ll5 n ASP 37 Cb 0.45 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.68 3ll5 n ASP 37 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3ll5 s LEU 38 N -3.02 3.73 -0.03 -2.12 2.96 -0.87 -4.81 118.68 114.53 3ll5 s LEU 38 Ca 0.54 1.24 0.21 0.00 -0.22 0.00 0.00 54.13 55.89 3ll5 s LEU 38 Cb 0.43 -3.53 -0.31 0.00 0.50 0.00 0.00 46.19 43.28 3ll5 s LEU 38 CO 0.12 -1.35 0.51 1.33 -1.32 0.00 0.00 176.35 175.63 3ll5 n VAL 39 N 6.75 0.00 -3.66 1.68 0.24 -1.26 -4.95 118.33 117.14 3ll5 n VAL 39 Ca 0.18 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 3ll5 n VAL 39 Cb 0.47 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.62 1.72 0.07 0.00 1.01 -0.66 -2.69 120.40 120.48 3ll5 s VAL 41 Ca -0.02 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.14 3ll5 s VAL 41 Cb -0.05 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3ll5 s VAL 41 CO -0.03 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 3ll5 s VAL 42 N -0.27 2.53 0.08 2.92 1.01 0.04 -2.04 120.40 124.66 3ll5 s VAL 42 Ca 0.02 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 60.67 3ll5 s VAL 42 Cb -0.11 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3ll5 s VAL 42 CO 0.01 0.26 -0.17 -1.38 0.00 0.00 0.00 175.10 173.82 3ll5 s HIS 43 N -0.95 1.49 0.54 5.22 -3.43 -0.59 -0.11 115.29 117.45 3ll5 s HIS 43 Ca 0.14 -0.43 -0.09 0.00 -0.80 0.00 0.00 55.06 53.88 3ll5 s HIS 43 Cb -0.10 -0.83 0.12 0.00 -1.43 0.00 0.00 32.58 30.34 3ll5 s HIS 43 CO 0.05 0.12 0.71 0.41 -2.00 0.00 0.00 174.74 174.04 3ll5 n GLY 44 N 1.27 -1.41 0.06 -1.38 0.00 0.08 -2.16 105.19 101.64 3ll5 n GLY 44 Ca -0.20 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 0.20 -0.46 7.00 -0.02 0.00 -1.26 -4.35 105.19 106.29 3ll5 n GLY 45 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.44 2.85 0.00 -0.02 0.00 -1.26 -1.42 105.19 107.77 3ll5 n GLY 46 Ca -0.19 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3ll5 n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ll5 n SER 47 N 2.10 0.00 -0.67 1.61 3.41 -1.26 -1.53 113.62 117.27 3ll5 n SER 47 Ca 0.00 -1.16 0.13 0.00 -0.26 0.00 0.00 58.87 57.58 3ll5 n SER 47 Cb 0.00 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.24 3ll5 n SER 47 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ll5 n PHE 48 N -0.89 0.00 0.07 7.33 3.72 -0.51 -1.99 117.46 125.19 3ll5 n PHE 48 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3ll5 n PHE 48 Cb 0.08 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3ll5 n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ll5 n GLY 49 N 1.28 -0.13 0.23 1.37 0.00 -0.58 -4.70 105.19 102.66 3ll5 n GLY 49 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3ll5 n GLY 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ll5 h HIS 50 N 0.00 0.16 -0.04 1.61 3.86 -1.69 -2.21 115.15 116.85 3ll5 h HIS 50 Ca 0.00 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3ll5 h HIS 50 Cb 0.11 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3ll5 h HIS 50 CO 0.00 0.31 -0.18 0.82 0.86 0.00 0.00 177.93 179.74 3ll5 h ILE 51 N 0.15 1.47 0.00 2.45 2.04 -1.80 -3.13 117.51 118.68 3ll5 h ILE 51 Ca 0.03 -1.65 -0.12 0.00 1.00 0.00 0.00 64.86 64.12 3ll5 h ILE 51 Cb 0.37 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3ll5 h ILE 51 CO 0.02 0.46 -0.56 0.11 0.00 0.00 0.00 178.15 178.18 3ll5 h LYS 52 N -0.38 0.00 -0.52 2.37 1.79 -1.87 -1.81 116.57 116.16 3ll5 h LYS 52 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3ll5 h LYS 52 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3ll5 h LYS 52 CO 0.04 0.56 0.00 0.00 -1.08 0.00 0.00 179.45 178.97 3ll5 n ALA 53 N -2.33 1.33 0.00 3.86 0.00 -0.83 -1.22 120.51 121.32 3ll5 n ALA 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ll5 n ALA 53 Cb 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3ll5 n ALA 53 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ll5 n GLU 55 N 0.53 0.00 -0.18 0.00 2.13 -0.68 -0.55 120.64 121.89 3ll5 n GLU 55 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 3ll5 n GLU 55 Cb 0.05 0.00 0.20 0.00 0.27 0.00 0.00 31.44 31.96 3ll5 n GLU 55 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3ll5 n PHE 56 N 0.00 0.47 -2.33 4.31 3.72 -0.36 -4.98 117.46 118.29 3ll5 n PHE 56 Ca 0.00 -0.24 -0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3ll5 n PHE 56 Cb 0.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 1.47 0.77 3.23 1.37 0.00 -0.59 -2.85 105.19 108.58 3ll5 n GLY 57 Ca 0.19 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.37 2.02 0.73 0.99 1.43 0.29 -3.23 118.68 119.54 3ll5 s LEU 58 Ca 0.00 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 3ll5 s LEU 58 Cb -0.00 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 45.06 3ll5 s LEU 58 CO 0.00 0.23 1.13 -2.16 0.23 0.00 0.00 176.35 175.78 3ll5 s PRO 59 N -0.24 2.33 0.00 1.29 0.04 -1.26 -4.76 135.00 132.39 3ll5 s PRO 59 Ca 0.01 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3ll5 s PRO 59 Cb -0.11 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3ll5 s PRO 59 CO 0.02 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.84 3ll5 n GLY 60 N -0.45 -1.76 3.71 0.56 0.00 -0.41 -5.00 105.19 101.85 3ll5 n GLY 60 Ca 0.11 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.60 1.99 -0.01 1.61 0.02 -1.26 -0.97 135.00 134.77 3ll5 s PRO 61 Ca 0.00 1.86 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 3ll5 s PRO 61 Cb 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 3ll5 s PRO 61 CO 0.00 -1.98 1.12 0.21 -0.33 0.00 0.00 177.00 176.02 3ll5 s LYS 62 N -3.87 4.44 0.33 5.54 2.20 -0.02 -4.71 119.74 123.67 3ll5 s LYS 62 Ca 0.76 1.60 -0.16 0.00 -0.36 0.00 0.00 55.97 57.81 3ll5 s LYS 62 Cb -0.32 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 3ll5 s LYS 62 CO 0.46 -0.26 0.71 0.54 -0.36 0.00 0.00 175.35 176.45 3ll5 s ASN 63 N 1.17 -0.02 0.35 1.43 2.20 -1.26 -4.94 114.94 113.87 3ll5 s ASN 63 Ca 0.55 -0.97 0.07 0.00 -0.94 0.00 0.00 52.86 51.56 3ll5 s ASN 63 Cb -0.24 0.77 0.75 0.00 -2.00 0.00 0.00 41.25 40.52 3ll5 s ASN 63 CO 0.25 -1.50 1.90 -0.65 -2.94 0.00 0.00 177.10 174.17 3ll5 h PRO 64 N 2.03 0.75 -0.02 3.55 0.11 -1.99 0.07 132.00 136.50 3ll5 h PRO 64 Ca -0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3ll5 h PRO 64 Cb 1.25 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ll5 h PRO 64 CO 0.34 0.49 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.52 3ll5 h ARG 65 N 0.77 0.04 0.00 1.05 2.43 -1.96 -2.47 114.38 114.23 3ll5 h ARG 65 Ca 0.40 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3ll5 h ARG 65 Cb 0.49 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3ll5 h ARG 65 CO -0.16 0.50 -0.21 0.66 -1.51 0.00 0.00 179.97 179.25 3ll5 h SER 66 N -0.42 0.00 -0.26 -3.80 4.64 -1.31 -0.95 113.55 111.45 3ll5 h SER 66 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3ll5 h SER 66 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3ll5 h SER 66 CO 0.00 0.21 0.01 0.28 -0.87 0.00 0.00 176.83 176.47 3ll5 h SER 67 N 0.00 0.44 -0.43 4.97 0.02 -1.00 0.12 113.55 117.68 3ll5 h SER 67 Ca -0.00 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 3ll5 h SER 67 Cb 0.39 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3ll5 h SER 67 CO 0.03 0.62 -0.05 0.40 -1.14 0.00 0.00 176.83 176.69 3ll5 h ILE 68 N 0.24 1.25 -0.78 3.27 1.08 -1.26 -3.04 117.51 118.28 3ll5 h ILE 68 Ca 0.08 -1.11 -0.03 0.00 -0.39 0.00 0.00 64.86 63.40 3ll5 h ILE 68 Cb 0.39 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 3ll5 h ILE 68 CO 0.01 0.39 0.35 1.23 -0.69 0.00 0.00 178.15 179.44 3ll5 h GLY 69 N 0.98 1.21 0.31 5.37 0.00 -1.02 -2.56 103.07 107.36 3ll5 h GLY 69 Ca 0.14 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 46.92 3ll5 h GLY 69 CO 0.03 0.58 -0.11 -1.82 0.00 0.00 0.00 176.54 175.22 3ll5 h TYR 70 N 1.12 -0.26 -0.65 5.60 5.03 -0.64 0.66 116.97 127.83 3ll5 h TYR 70 Ca 0.27 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.65 3ll5 h TYR 70 Cb 0.15 0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.54 3ll5 h TYR 70 CO 0.02 -0.18 0.37 0.77 -1.32 0.00 0.00 178.16 177.82 3ll5 h SER 71 N -0.05 0.57 -0.20 -2.11 0.02 -1.48 -2.15 113.55 108.14 3ll5 h SER 71 Ca 0.15 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 3ll5 h SER 71 Cb 0.29 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 3ll5 h SER 71 CO -0.35 0.38 -0.33 0.40 -1.14 0.00 0.00 176.83 175.80 3ll5 h ILE 72 N 0.70 1.33 -0.41 3.27 2.04 -0.97 -1.35 117.51 122.12 3ll5 h ILE 72 Ca 0.28 -1.55 0.01 0.00 1.00 0.00 0.00 64.86 64.60 3ll5 h ILE 72 Cb 0.12 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3ll5 h ILE 72 CO -0.15 0.48 0.27 0.58 0.00 0.00 0.00 178.15 179.32 3ll5 h VAL 73 N 0.26 1.10 -0.31 1.67 2.07 -0.88 -0.49 116.25 119.66 3ll5 h VAL 73 Ca 0.02 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3ll5 h VAL 73 Cb 0.92 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3ll5 h VAL 73 CO 0.08 0.10 0.09 -0.74 0.02 0.00 0.00 177.57 177.11 3ll5 h HIS 74 N 0.55 0.51 -0.43 1.57 -0.00 -1.28 -2.79 115.15 113.27 3ll5 h HIS 74 Ca 0.15 -0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.53 3ll5 h HIS 74 Cb -0.05 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.16 3ll5 h HIS 74 CO -0.05 0.53 0.13 -0.09 -0.00 0.00 0.00 177.93 178.44 3ll5 h ARG 75 N 0.34 0.27 -0.94 5.26 1.12 -1.09 0.30 114.38 119.64 3ll5 h ARG 75 Ca 0.10 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 3ll5 h ARG 75 Cb 0.26 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 3ll5 h ARG 75 CO -0.00 0.18 0.00 -0.25 -3.11 0.00 0.00 179.97 176.79 3ll5 n ASP 76 N -5.04 0.00 0.00 -3.80 8.00 -0.21 -1.35 116.55 114.15 3ll5 n ASP 76 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3ll5 n ASP 76 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3ll5 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ll5 n GLU 78 N 0.73 0.00 -0.22 -1.24 1.02 0.09 -2.08 120.64 118.95 3ll5 n GLU 78 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3ll5 n GLU 78 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 3ll5 n GLU 78 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3ll5 h ASN 79 N 0.00 0.62 -0.30 1.62 -0.26 -1.49 -0.73 115.58 115.06 3ll5 h ASN 79 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 3ll5 h ASN 79 Cb 0.00 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 3ll5 h ASN 79 CO 0.00 0.43 0.02 0.25 -1.06 0.00 0.00 177.43 177.07 3ll5 h LEU 80 N 0.75 0.50 -1.02 1.61 5.85 -1.70 -3.00 115.31 118.31 3ll5 h LEU 80 Ca 0.25 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3ll5 h LEU 80 Cb 0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3ll5 h LEU 80 CO -0.11 0.67 0.66 -0.78 -0.34 0.00 0.00 178.44 178.55 3ll5 h ASP 81 N 0.31 1.14 0.00 1.25 3.58 -1.74 -2.53 116.42 118.43 3ll5 h ASP 81 Ca 0.09 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3ll5 h ASP 81 Cb 0.40 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3ll5 h ASP 81 CO 0.01 0.82 0.00 0.18 -2.88 0.00 0.00 179.24 177.37 3ll5 n LEU 82 N -4.39 0.00 0.00 2.28 4.77 -0.31 -0.54 117.00 118.80 3ll5 n LEU 82 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 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 1.46 0.00 -0.25 4.08 0.31 -0.96 -0.60 118.33 122.38 3ll5 n VAL 84 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3ll5 n VAL 84 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 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 1.04 -0.48 2.52 1.08 -1.10 -2.56 117.51 118.01 3ll5 h ILE 85 Ca 0.00 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 3ll5 h ILE 85 Cb 0.00 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.88 3ll5 h ILE 85 CO 0.00 0.15 0.29 0.44 -0.69 0.00 0.00 178.15 178.34 3ll5 h ASP 86 N 0.81 0.48 0.00 1.72 3.32 -1.10 -0.92 116.42 120.73 3ll5 h ASP 86 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3ll5 h ASP 86 Cb 0.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ll5 h ASP 86 CO -0.15 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 3ll5 n ALA 87 N -2.26 1.06 0.00 3.45 0.00 -0.96 -1.58 120.51 120.23 3ll5 n ALA 87 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ll5 n ALA 87 Cb 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.60 0.00 0.04 0.00 5.41 -0.35 -4.75 119.36 120.32 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 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.25 -3.28 0.38 4.07 -0.61 -5.00 120.64 116.45 3ll5 n GLU 90 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 3ll5 n GLU 90 Cb 0.00 -1.37 -0.07 0.00 -0.06 0.00 0.00 31.44 29.93 3ll5 n GLU 90 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3ll5 s GLY 92 N 1.55 0.27 -0.43 8.31 0.00 -1.26 -5.19 107.32 110.58 3ll5 s GLY 92 Ca 0.00 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.30 3ll5 s GLY 92 CO 0.00 2.62 0.55 0.54 0.00 0.00 0.00 173.10 176.81 3ll5 n ARG 94 N 3.52 0.54 -2.13 2.90 1.74 -1.26 -5.20 116.66 116.76 3ll5 n ARG 94 Ca 0.19 -2.84 -0.32 0.00 -0.77 0.00 0.00 57.85 54.12 3ll5 n ARG 94 Cb 0.47 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.28 3.77 -0.16 5.56 0.04 -1.26 -1.86 135.00 140.81 3ll5 s PRO 95 Ca 0.33 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 3ll5 s PRO 95 Cb 0.12 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.62 3ll5 s PRO 95 CO -0.15 -0.42 0.33 -1.50 0.04 0.00 0.00 177.00 175.30 3ll5 s ILE 96 N -2.91 -0.44 0.26 0.56 1.10 -0.95 -4.89 121.20 113.93 3ll5 s ILE 96 Ca 0.57 0.21 -0.30 0.00 -0.51 0.00 0.00 60.65 60.62 3ll5 s ILE 96 Cb -0.10 -0.54 -0.09 0.00 0.15 0.00 0.00 42.46 41.87 3ll5 s ILE 96 CO 0.43 0.09 1.09 -0.94 -2.11 0.00 0.00 174.94 173.49 3ll5 s SER 97 N 2.30 7.30 -0.45 4.50 1.04 -1.26 -1.13 113.70 126.01 3ll5 s SER 97 Ca -0.02 2.21 0.02 0.00 0.48 0.00 0.00 55.95 58.65 3ll5 s SER 97 Cb -0.12 -2.62 0.14 0.00 0.10 0.00 0.00 66.02 63.52 3ll5 s SER 97 CO -0.11 -0.13 0.26 -0.69 0.98 0.00 0.00 173.24 173.56 3ll5 s VAL 98 N -1.01 1.33 0.26 5.02 1.01 0.34 -4.86 120.40 122.48 3ll5 s VAL 98 Ca 0.45 -2.60 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 3ll5 s VAL 98 Cb -0.31 -1.93 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 3ll5 s VAL 98 CO 0.39 -0.93 1.12 -2.84 0.00 0.00 0.00 175.10 172.84 3ll5 s PRO 99 N 0.29 4.61 0.36 2.72 0.02 -1.26 -4.56 135.00 137.17 3ll5 s PRO 99 Ca 0.19 1.82 0.12 0.00 0.02 0.00 0.00 61.00 63.15 3ll5 s PRO 99 Cb -0.21 -3.20 0.92 0.00 0.02 0.00 0.00 34.50 32.03 3ll5 s PRO 99 CO -0.02 0.15 1.82 0.82 -0.33 0.00 0.00 177.00 179.43 3ll5 h ILE 100 N 3.24 0.69 0.00 2.83 1.08 -1.91 -1.74 117.51 121.70 3ll5 h ILE 100 Ca -0.46 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 3ll5 h ILE 100 Cb 1.21 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 3ll5 h ILE 100 CO 0.68 0.11 0.00 0.77 -0.69 0.00 0.00 178.15 179.02 3ll5 h SER 101 N 0.58 0.00 0.03 1.72 4.64 -1.91 -2.18 113.55 116.43 3ll5 h SER 101 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3ll5 h SER 101 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ll5 h SER 101 CO -0.27 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.42 3ll5 n ALA 102 N -1.98 3.09 -2.47 5.18 0.00 -0.66 -4.97 120.51 118.70 3ll5 n ALA 102 Ca -0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 3ll5 n ALA 102 Cb 0.20 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.31 3.95 0.50 0.00 1.43 -0.82 -5.04 118.68 116.39 3ll5 s LEU 103 Ca 0.24 0.74 -0.21 0.00 -1.03 0.00 0.00 54.13 53.87 3ll5 s LEU 103 Cb 0.19 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 3ll5 s LEU 103 CO 0.47 -0.30 1.16 -0.13 0.23 0.00 0.00 176.35 177.78 3ll5 s ARG 104 N -3.94 3.53 -0.03 1.70 0.52 -1.26 -4.86 118.95 114.60 3ll5 s ARG 104 Ca 0.44 1.73 0.02 0.00 -0.52 0.00 0.00 55.73 57.40 3ll5 s ARG 104 Cb -0.10 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.16 3ll5 s ARG 104 CO 0.34 -0.73 -0.06 -0.47 0.02 0.00 0.00 175.30 174.39 3ll5 s TYR 105 N -1.63 0.76 0.00 -0.53 5.04 -1.26 -1.48 117.35 118.25 3ll5 s TYR 105 Ca 0.68 -0.19 0.24 0.00 -2.44 0.00 0.00 57.07 55.36 3ll5 s TYR 105 Cb -0.27 -0.59 0.39 0.00 0.35 0.00 0.00 41.96 41.84 3ll5 s TYR 105 CO 0.32 -0.11 1.16 -0.40 -1.34 0.00 0.00 175.55 175.17 3ll5 n ASP 106 N 3.51 0.85 0.00 4.32 5.68 -1.26 -4.91 116.55 124.74 3ll5 n ASP 106 Ca -0.20 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 3ll5 n ASP 106 Cb 0.54 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3ll5 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ll5 n GLY 107 N 0.46 2.65 3.43 6.12 0.00 -1.26 -5.03 105.19 111.55 3ll5 n GLY 107 Ca 0.04 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.55 0.30 1.61 0.52 -1.26 -5.15 118.95 116.52 3ll5 s ARG 108 Ca 0.00 -1.66 -0.16 0.00 -0.52 0.00 0.00 55.73 53.39 3ll5 s ARG 108 Cb 0.00 -1.62 -0.09 0.00 0.52 0.00 0.00 34.95 33.77 3ll5 s ARG 108 CO 0.00 0.31 0.73 -0.06 0.02 0.00 0.00 175.30 176.30 3ll5 s PHE 109 N -2.43 3.43 -0.82 -0.53 0.08 -1.26 -4.33 117.98 112.12 3ll5 s PHE 109 Ca 0.26 1.25 -0.22 0.00 0.12 0.00 0.00 56.93 58.34 3ll5 s PHE 109 Cb -0.05 -2.55 0.08 0.00 -0.57 0.00 0.00 43.02 39.93 3ll5 s PHE 109 CO 0.12 0.14 1.14 0.34 -0.10 0.00 0.00 175.22 176.86 3ll5 s ASP 110 N -2.15 6.37 -0.03 1.36 -1.08 -0.55 -4.88 116.67 115.71 3ll5 s ASP 110 Ca 0.52 -1.33 0.05 0.00 -0.52 0.00 0.00 52.55 51.27 3ll5 s ASP 110 Cb -0.11 -2.46 0.21 0.00 -1.46 0.00 0.00 42.92 39.10 3ll5 s ASP 110 CO 0.18 -1.39 1.02 -1.22 0.52 0.00 0.00 175.17 174.28 3ll5 n TYR 111 N 7.77 0.44 -0.35 -5.34 4.01 -1.26 -4.39 117.16 118.04 3ll5 n TYR 111 Ca 0.12 -0.18 0.07 0.00 -0.16 0.00 0.00 57.90 57.76 3ll5 n TYR 111 Cb 0.48 -0.11 0.23 0.00 -0.31 0.00 0.00 39.34 39.64 3ll5 n TYR 111 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ll5 h THR 112 N 1.21 0.89 -0.73 -0.72 2.02 -2.00 -1.61 112.91 111.97 3ll5 h THR 112 Ca 0.00 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 3ll5 h THR 112 Cb 0.60 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 3ll5 h THR 112 CO 0.07 0.17 0.45 -0.65 0.37 0.00 0.00 175.52 175.93 3ll5 h PRO 113 N 0.93 0.99 -0.50 6.66 0.11 -2.01 -1.67 132.00 136.51 3ll5 h PRO 113 Ca 0.49 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.43 3ll5 h PRO 113 Cb 0.51 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3ll5 h PRO 113 CO -0.28 0.69 -0.03 1.25 -0.21 0.00 0.00 178.00 179.42 3ll5 h LEU 114 N 0.99 0.84 -0.79 2.35 6.46 -1.65 -1.83 115.31 121.68 3ll5 h LEU 114 Ca 0.26 -0.23 -0.10 0.00 -0.12 0.00 0.00 57.88 57.70 3ll5 h LEU 114 Cb -0.05 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.64 3ll5 h LEU 114 CO -0.05 0.92 -0.13 0.40 -0.62 0.00 0.00 178.44 178.96 3ll5 h ILE 115 N 0.79 1.26 -0.58 4.05 1.08 -1.08 -2.11 117.51 120.93 3ll5 h ILE 115 Ca 0.15 -1.19 -0.04 0.00 -0.39 0.00 0.00 64.86 63.38 3ll5 h ILE 115 Cb 0.52 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 3ll5 h ILE 115 CO 0.03 0.41 0.18 0.03 -0.69 0.00 0.00 178.15 178.11 3ll5 h ARG 116 N 0.70 0.87 -0.30 2.37 3.08 -0.80 -0.69 114.38 119.62 3ll5 h ARG 116 Ca 0.12 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3ll5 h ARG 116 Cb 0.61 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3ll5 h ARG 116 CO 0.04 0.75 -0.03 1.88 -1.07 0.00 0.00 179.97 181.54 3ll5 h TYR 117 N 0.85 0.61 0.15 3.04 0.05 -1.00 -0.42 116.97 120.24 3ll5 h TYR 117 Ca 0.19 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.87 3ll5 h TYR 117 Cb 0.25 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3ll5 h TYR 117 CO 0.02 0.71 -0.29 0.82 -1.05 0.00 0.00 178.16 178.37 3ll5 h ILE 118 N 0.33 0.38 -1.02 -2.88 2.04 -1.10 -0.75 117.51 114.51 3ll5 h ILE 118 Ca 0.08 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.20 3ll5 h ILE 118 Cb 0.49 0.38 -0.12 0.00 -0.74 0.00 0.00 36.82 36.84 3ll5 h ILE 118 CO 0.02 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.23 3ll5 h ASP 119 N -0.52 0.60 0.89 1.72 3.32 -1.01 0.75 116.42 122.18 3ll5 h ASP 119 Ca 0.02 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ll5 h ASP 119 Cb 0.53 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3ll5 h ASP 119 CO -0.15 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 3ll5 n ALA 120 N -2.36 2.35 -0.09 3.45 0.00 -0.18 -4.91 120.51 118.77 3ll5 n ALA 120 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3ll5 n ALA 120 Cb 0.80 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.41 0.92 3.93 0.00 0.00 0.26 -5.07 105.19 106.65 3ll5 n GLY 121 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 3.16 -0.46 1.61 0.40 -0.37 -4.90 117.98 115.41 3ll5 s PHE 122 Ca 0.00 0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.67 3ll5 s PHE 122 Cb 0.00 -2.69 0.10 0.00 0.51 0.00 0.00 43.02 40.94 3ll5 s PHE 122 CO 0.00 -0.79 0.34 0.08 0.70 0.00 0.00 175.22 175.56 3ll5 s VAL 123 N -2.89 4.55 0.41 -0.44 1.01 -0.78 -4.07 120.40 118.19 3ll5 s VAL 123 Ca 0.54 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 3ll5 s VAL 123 Cb -0.10 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3ll5 s VAL 123 CO 0.43 -0.65 1.17 -2.16 0.00 0.00 0.00 175.10 173.88 3ll5 s PRO 124 N 1.47 4.00 -0.10 2.72 0.04 -1.26 -2.25 135.00 139.62 3ll5 s PRO 124 Ca 0.04 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.94 3ll5 s PRO 124 Cb -0.25 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3ll5 s PRO 124 CO 0.02 -0.36 -0.21 0.08 0.04 0.00 0.00 177.00 176.57 3ll5 s VAL 125 N -1.44 1.86 0.34 -0.36 1.01 -0.29 -1.65 120.40 119.88 3ll5 s VAL 125 Ca 0.58 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3ll5 s VAL 125 Cb -0.30 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3ll5 s VAL 125 CO 0.38 0.52 0.16 -0.55 0.00 0.00 0.00 175.10 175.60 3ll5 s SER 126 N 0.51 1.97 0.12 3.32 0.15 -0.87 -0.51 113.70 118.39 3ll5 s SER 126 Ca -0.16 -1.60 -0.25 0.00 0.70 0.00 0.00 55.95 54.65 3ll5 s SER 126 Cb -0.17 0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.63 3ll5 s SER 126 CO 0.06 -0.90 0.71 -0.72 1.20 0.00 0.00 173.24 173.58 3ll5 s TYR 127 N -3.46 -0.45 0.27 3.44 1.13 -1.26 -1.54 117.35 115.48 3ll5 s TYR 127 Ca 0.33 0.24 -0.30 0.00 -1.41 0.00 0.00 57.07 55.93 3ll5 s TYR 127 Cb 0.04 0.56 -0.13 0.00 -1.10 0.00 0.00 41.96 41.34 3ll5 s TYR 127 CO 0.18 -0.78 1.43 0.41 -2.51 0.00 0.00 175.55 174.28 3ll5 n GLY 128 N -0.35 0.87 3.47 5.49 0.00 -0.92 -4.56 105.19 109.20 3ll5 n GLY 128 Ca -0.13 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 3ll5 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ll5 s ASP 129 N 0.24 -0.45 0.58 1.61 -1.08 -0.43 -4.78 116.67 112.35 3ll5 s ASP 129 Ca 0.65 -0.18 -0.14 0.00 -0.52 0.00 0.00 52.55 52.36 3ll5 s ASP 129 Cb -0.60 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 41.40 3ll5 s ASP 129 CO 0.51 -1.01 1.02 0.68 0.52 0.00 0.00 175.17 176.89 3ll5 s VAL 130 N -3.79 4.36 0.15 1.11 -7.23 -1.26 -0.71 120.40 113.03 3ll5 s VAL 130 Ca 0.03 1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 61.04 3ll5 s VAL 130 Cb -0.01 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.31 3ll5 s VAL 130 CO -0.09 -0.78 0.44 -0.72 -0.31 0.00 0.00 175.10 173.65 3ll5 s TYR 131 N -2.76 -0.14 -0.47 2.82 -0.85 -0.57 -3.97 117.35 111.40 3ll5 s TYR 131 Ca 0.59 -0.18 -0.27 0.00 -0.52 0.00 0.00 57.07 56.69 3ll5 s TYR 131 Cb -0.12 0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.55 3ll5 s TYR 131 CO 0.40 -0.79 1.02 0.42 -1.52 0.00 0.00 175.55 175.09 3ll5 s ILE 132 N -3.84 4.35 -0.01 -3.49 1.01 -1.26 -0.94 121.20 117.02 3ll5 s ILE 132 Ca 0.06 0.97 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 3ll5 s ILE 132 Cb 0.01 -4.51 -0.30 0.00 0.01 0.00 0.00 42.46 37.67 3ll5 s ILE 132 CO -0.08 -0.91 0.80 0.50 0.00 0.00 0.00 174.94 175.24 3ll5 h LYS 133 N 9.14 0.34 0.00 2.79 3.64 -1.74 -3.47 116.57 127.27 3ll5 h LYS 133 Ca -0.24 -0.58 0.02 0.00 -1.27 0.00 0.00 60.65 58.58 3ll5 h LYS 133 Cb 1.07 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ll5 h LYS 133 CO 1.07 1.23 0.26 -0.40 -2.27 0.00 0.00 179.45 179.35 3ll5 n ASP 134 N -3.54 -1.46 -0.36 4.20 5.75 -1.12 -4.89 116.55 115.13 3ll5 n ASP 134 Ca -0.20 -1.95 0.26 0.00 -0.01 0.00 0.00 54.79 52.89 3ll5 n ASP 134 Cb 1.06 2.42 0.52 0.00 -1.03 0.00 0.00 41.12 44.10 3ll5 n ASP 134 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3ll5 h GLU 135 N 0.00 0.31 0.00 0.11 4.57 -2.04 -2.47 114.58 115.06 3ll5 h GLU 135 Ca -0.22 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3ll5 h GLU 135 Cb 0.85 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3ll5 h GLU 135 CO 0.28 0.21 -0.01 0.72 -1.18 0.00 0.00 179.01 179.02 3ll5 n HIS 136 N -4.76 0.00 -3.71 0.92 8.25 -1.26 -4.95 115.22 109.71 3ll5 n HIS 136 Ca 0.30 -0.87 -0.14 0.00 -0.26 0.00 0.00 57.72 56.75 3ll5 n HIS 136 Cb 1.03 -0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.93 3ll5 n HIS 136 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3ll5 s SER 137 N -2.45 -0.30 -0.01 0.41 1.04 -0.93 -0.84 113.70 110.62 3ll5 s SER 137 Ca 0.25 0.27 0.06 0.00 0.48 0.00 0.00 55.95 57.01 3ll5 s SER 137 Cb 0.22 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 3ll5 s SER 137 CO 0.02 -0.45 -0.19 -0.31 0.98 0.00 0.00 173.24 173.29 3ll5 s TYR 138 N -1.18 2.54 0.41 5.02 2.02 -0.15 -2.07 117.35 123.94 3ll5 s TYR 138 Ca -0.12 -0.28 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 3ll5 s TYR 138 Cb -0.04 -1.53 -0.07 0.00 -0.40 0.00 0.00 41.96 39.92 3ll5 s TYR 138 CO 0.05 0.14 0.06 0.20 -1.57 0.00 0.00 175.55 174.43 3ll5 s GLY 139 N -0.93 2.47 -0.13 0.71 0.00 -0.11 -1.29 107.32 108.05 3ll5 s GLY 139 Ca 0.12 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.63 3ll5 s GLY 139 CO 0.02 -2.05 -0.12 -0.42 0.00 0.00 0.00 173.10 170.52 3ll5 s ILE 140 N -2.68 1.37 -0.37 0.90 1.01 -1.26 -1.52 121.20 118.64 3ll5 s ILE 140 Ca 0.36 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 3ll5 s ILE 140 Cb 0.08 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.25 3ll5 s ILE 140 CO 0.19 0.42 0.38 -0.47 0.00 0.00 0.00 174.94 175.47 3ll5 s TYR 141 N 1.45 3.20 0.85 3.97 5.04 0.12 -4.94 117.35 127.04 3ll5 s TYR 141 Ca 0.02 -0.19 -0.12 0.00 -2.44 0.00 0.00 57.07 54.35 3ll5 s TYR 141 Cb -0.13 -2.74 0.10 0.00 0.35 0.00 0.00 41.96 39.54 3ll5 s TYR 141 CO -0.08 -0.54 1.11 -1.54 -1.34 0.00 0.00 175.55 173.17 3ll5 s SER 142 N 1.76 4.01 0.31 4.32 1.04 -1.26 -1.32 113.70 122.55 3ll5 s SER 142 Ca 0.11 1.17 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 3ll5 s SER 142 Cb -0.17 -1.84 0.50 0.00 0.10 0.00 0.00 66.02 64.61 3ll5 s SER 142 CO 0.12 -2.26 1.96 1.23 0.98 0.00 0.00 173.24 175.28 3ll5 h GLY 143 N -1.29 1.15 1.01 7.32 0.00 -1.88 -2.07 103.07 107.31 3ll5 h GLY 143 Ca -0.49 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.44 3ll5 h GLY 143 CO 0.60 0.38 0.49 -0.55 0.00 0.00 0.00 176.54 177.46 3ll5 h ASP 144 N 1.06 0.86 -0.20 0.19 3.32 -1.95 -2.79 116.42 116.91 3ll5 h ASP 144 Ca 0.31 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3ll5 h ASP 144 Cb -0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3ll5 h ASP 144 CO -0.08 0.63 0.10 0.44 -1.72 0.00 0.00 179.24 178.61 3ll5 h ASP 145 N 1.01 0.26 0.00 6.45 3.32 -1.76 -0.89 116.42 124.81 3ll5 h ASP 145 Ca 0.27 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ll5 h ASP 145 Cb -0.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3ll5 h ASP 145 CO -0.06 0.30 0.00 -0.38 -1.72 0.00 0.00 179.24 177.39 3ll5 n ILE 146 N -4.87 0.00 0.00 0.35 5.41 -0.84 -1.26 119.36 118.16 3ll5 n ILE 146 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3ll5 n ILE 146 Cb 0.09 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 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 0.72 0.00 0.53 -1.39 0.00 -0.34 -4.58 120.51 115.44 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 1.10 0.00 0.00 8.00 -0.39 -2.11 116.55 123.15 3ll5 n ASP 149 Ca 0.00 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3ll5 n ASP 149 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.51 0.00 0.18 2.24 0.00 -1.26 -1.42 120.51 120.76 3ll5 n ALA 151 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3ll5 n ALA 151 Cb 0.20 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 0.19 0.00 4.81 -1.76 -0.11 114.58 117.71 3ll5 h GLU 152 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3ll5 h GLU 152 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 3ll5 h GLU 152 CO 0.00 0.40 -1.65 1.25 -0.73 0.00 0.00 179.01 178.28 3ll5 h LEU 153 N 0.00 0.62 0.00 1.64 5.85 -1.52 -3.37 115.31 118.53 3ll5 h LEU 153 Ca -0.00 -0.93 -0.02 0.00 0.84 0.00 0.00 57.88 57.76 3ll5 h LEU 153 Cb 0.73 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3ll5 h LEU 153 CO 0.05 1.75 -1.90 0.18 -0.34 0.00 0.00 178.44 178.18 3ll5 n LEU 154 N -3.67 0.11 -3.81 2.25 4.77 -1.23 -5.03 117.00 110.39 3ll5 n LEU 154 Ca -0.23 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.43 3ll5 n LEU 154 Cb 1.05 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 42.20 3ll5 n LEU 154 CO 0.51 0.01 -0.10 0.29 -1.33 0.00 0.00 177.39 176.77 3ll5 n LYS 155 N -2.34 -0.88 -1.38 3.23 4.76 -0.05 -4.94 118.16 116.54 3ll5 n LYS 155 Ca -0.05 0.37 -0.29 0.00 -2.87 0.00 0.00 58.31 55.47 3ll5 n LYS 155 Cb 0.61 -3.47 0.16 0.00 -1.84 0.00 0.00 35.03 30.48 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 -6.35 0.69 0.08 1.97 0.04 -1.25 -4.80 135.00 125.39 3ll5 s PRO 156 Ca 0.44 0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.86 3ll5 s PRO 156 Cb -0.19 -1.78 -0.23 0.00 0.04 0.00 0.00 34.50 32.33 3ll5 s PRO 156 CO 0.90 -2.51 1.14 -0.44 0.04 0.00 0.00 177.00 176.14 3ll5 h ASP 157 N -1.73 0.10 -4.36 6.66 3.32 -1.90 -2.96 116.42 115.56 3ll5 h ASP 157 Ca -0.52 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.21 3ll5 h ASP 157 Cb 1.33 -0.03 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 3ll5 h ASP 157 CO 0.58 1.10 -0.68 -0.69 -1.72 0.00 0.00 179.24 177.83 3ll5 s VAL 158 N -2.68 0.05 -0.03 -1.35 1.01 -1.26 -0.80 120.40 115.34 3ll5 s VAL 158 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3ll5 s VAL 158 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3ll5 s VAL 158 CO 0.83 -0.24 -0.08 0.00 0.00 0.00 0.00 175.10 175.61 3ll5 s ALA 159 N -0.71 0.79 -0.04 5.51 0.00 -1.00 -2.56 121.76 123.76 3ll5 s ALA 159 Ca -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.62 3ll5 s ALA 159 Cb -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3ll5 s ALA 159 CO -0.00 0.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.84 3ll5 s VAL 160 N 0.24 0.97 -0.11 0.00 1.01 -0.41 -0.66 120.40 121.45 3ll5 s VAL 160 Ca -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ll5 s VAL 160 Cb -0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3ll5 s VAL 160 CO 0.00 0.30 -0.14 -0.36 0.00 0.00 0.00 175.10 174.91 3ll5 s PHE 161 N 0.24 2.78 -0.15 5.22 0.40 0.49 -0.66 117.98 126.29 3ll5 s PHE 161 Ca -0.05 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.67 3ll5 s PHE 161 Cb -0.10 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 3ll5 s PHE 161 CO 0.01 -0.14 -0.00 -0.51 0.70 0.00 0.00 175.22 175.27 3ll5 s LEU 162 N 0.15 3.46 0.31 -0.37 1.43 -0.01 -1.32 118.68 122.33 3ll5 s LEU 162 Ca -0.07 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3ll5 s LEU 162 Cb -0.15 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3ll5 s LEU 162 CO 0.05 0.20 0.23 0.28 0.23 0.00 0.00 176.35 177.35 3ll5 s THR 163 N 0.16 0.07 -1.71 5.49 -1.32 -0.77 -0.92 115.64 116.64 3ll5 s THR 163 Ca 0.01 -2.00 0.12 0.00 -1.21 0.00 0.00 61.69 58.61 3ll5 s THR 163 Cb -0.13 -2.49 0.41 0.00 -1.51 0.00 0.00 72.50 68.78 3ll5 s THR 163 CO 0.02 0.00 1.31 -0.90 -2.21 0.00 0.00 174.62 172.84 3ll5 n ASP 164 N -1.27 2.65 -4.51 8.08 5.75 -1.26 -0.32 116.55 125.67 3ll5 n ASP 164 Ca 0.05 -2.11 -0.24 0.00 -0.01 0.00 0.00 54.79 52.48 3ll5 n ASP 164 Cb 0.63 -0.36 -0.11 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.54 1.54 0.44 2.12 -7.23 -1.26 -4.93 120.40 109.54 3ll5 s VAL 165 Ca 0.30 -2.02 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 3ll5 s VAL 165 Cb 0.17 -2.83 0.26 0.00 0.56 0.00 0.00 36.38 34.54 3ll5 s VAL 165 CO 0.18 -0.03 2.08 0.44 -0.31 0.00 0.00 175.10 177.46 3ll5 h ASP 166 N 2.01 0.34 0.00 4.85 5.19 -1.89 -3.08 116.42 123.83 3ll5 h ASP 166 Ca -0.42 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3ll5 h ASP 166 Cb 1.24 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.67 3ll5 h ASP 166 CO 0.73 0.25 0.00 0.61 -3.12 0.00 0.00 179.24 177.71 3ll5 n GLY 167 N -1.47 -0.60 3.70 2.75 0.00 -1.26 -3.83 105.19 104.47 3ll5 n GLY 167 Ca 0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.65 4.60 0.33 -0.61 -1.09 -1.26 -4.97 121.20 114.56 3ll5 s ILE 168 Ca 0.00 1.87 0.08 0.00 -2.23 0.00 0.00 60.65 60.37 3ll5 s ILE 168 Cb 0.00 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3ll5 s ILE 168 CO 0.00 0.09 0.21 -0.31 -1.23 0.00 0.00 174.94 173.70 3ll5 s TYR 169 N 1.42 2.81 0.43 3.97 2.02 -1.26 0.30 117.35 127.04 3ll5 s TYR 169 Ca 0.53 -0.33 0.23 0.00 -0.37 0.00 0.00 57.07 57.13 3ll5 s TYR 169 Cb -0.22 -1.69 1.30 0.00 -0.40 0.00 0.00 41.96 40.94 3ll5 s TYR 169 CO 0.25 0.28 2.04 0.66 -1.57 0.00 0.00 175.55 177.21 3ll5 h SER 170 N 1.41 0.00 -5.05 2.29 4.64 -1.23 -3.44 113.55 112.17 3ll5 h SER 170 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ll5 h SER 170 Cb 1.25 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 3ll5 h SER 170 CO 0.61 0.15 0.13 -0.54 -0.87 0.00 0.00 176.83 176.30 3ll5 s LYS 171 N -4.33 1.48 -0.32 4.77 1.02 -1.26 -4.97 119.74 116.13 3ll5 s LYS 171 Ca -0.03 -0.81 -0.36 0.00 0.02 0.00 0.00 55.97 54.78 3ll5 s LYS 171 Cb 0.14 0.56 -0.12 0.00 -0.52 0.00 0.00 37.83 37.89 3ll5 s LYS 171 CO 0.62 -0.65 2.09 -3.47 -0.92 0.00 0.00 175.35 173.02 3ll5 n ASP 172 N -0.39 2.25 0.27 2.83 -0.08 -1.26 -4.76 116.55 115.41 3ll5 n ASP 172 Ca -0.10 0.58 0.18 0.00 -1.51 0.00 0.00 54.79 53.94 3ll5 n ASP 172 Cb 0.62 -1.24 0.82 0.00 2.34 0.00 0.00 41.12 43.67 3ll5 n ASP 172 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ll5 h PRO 173 N 11.15 0.00 0.00 -0.67 0.13 -1.94 -1.67 132.00 139.00 3ll5 h PRO 173 Ca -0.32 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 3ll5 h PRO 173 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 3ll5 h PRO 173 CO 1.01 0.00 -0.52 0.87 -0.23 0.00 0.00 178.00 179.13 3ll5 h LYS 174 N 0.00 0.00 0.00 0.86 1.57 -2.02 -3.34 116.57 113.65 3ll5 h LYS 174 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ll5 h LYS 174 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ll5 h LYS 174 CO 0.00 0.52 -0.76 0.54 -0.57 0.00 0.00 179.45 179.18 3ll5 n ARG 175 N -3.33 2.06 -3.65 3.15 1.74 -0.97 -4.90 116.66 110.76 3ll5 n ARG 175 Ca 0.01 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3ll5 n ARG 175 Cb 0.69 -1.20 -0.15 0.00 -1.02 0.00 0.00 32.46 30.78 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 -2.47 3.54 0.00 0.55 0.01 -0.67 -4.97 114.94 110.93 3ll5 s ASN 176 Ca 0.05 -1.30 0.25 0.00 -0.71 0.00 0.00 52.86 51.15 3ll5 s ASN 176 Cb 0.11 -0.58 1.38 0.00 0.41 0.00 0.00 41.25 42.57 3ll5 s ASN 176 CO 0.60 -0.40 1.85 -2.65 -1.51 0.00 0.00 177.10 174.99 3ll5 n PRO 177 N 5.07 0.58 -0.00 -0.60 -0.02 -1.26 -1.68 135.00 137.08 3ll5 n PRO 177 Ca -0.05 0.03 0.15 0.00 -2.02 0.00 0.00 63.50 61.60 3ll5 n PRO 177 Cb 0.43 -1.50 0.66 0.00 -0.02 0.00 0.00 33.50 33.08 3ll5 n PRO 177 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ll5 n ASP 178 N -1.14 1.00 -4.79 2.55 5.75 -1.26 -4.93 116.55 113.73 3ll5 n ASP 178 Ca 0.15 -1.34 -0.36 0.00 -0.01 0.00 0.00 54.79 53.23 3ll5 n ASP 178 Cb 0.14 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 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 3.14 0.09 2.12 0.00 -0.68 -5.01 121.76 119.43 3ll5 s ALA 179 Ca 0.41 0.58 0.10 0.00 0.00 0.00 0.00 51.96 53.05 3ll5 s ALA 179 Cb 0.21 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3ll5 s ALA 179 CO 0.35 0.02 -0.27 0.14 0.00 0.00 0.00 175.76 176.00 3ll5 s VAL 180 N -1.71 2.21 0.05 0.00 -7.23 -1.26 -4.88 120.40 107.58 3ll5 s VAL 180 Ca 0.55 -1.60 -0.31 0.00 -1.81 0.00 0.00 61.98 58.82 3ll5 s VAL 180 Cb -0.19 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 3ll5 s VAL 180 CO 0.24 0.21 1.21 -0.22 -0.31 0.00 0.00 175.10 176.23 3ll5 s LEU 181 N -1.69 4.36 -0.52 1.32 2.96 -1.26 -0.67 118.68 123.17 3ll5 s LEU 181 Ca 0.13 2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 55.85 3ll5 s LEU 181 Cb -0.10 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.07 3ll5 s LEU 181 CO 0.04 -0.49 0.67 -0.76 -1.32 0.00 0.00 176.35 174.49 3ll5 s LEU 182 N 1.21 4.91 0.24 -0.68 1.43 0.15 -4.93 118.68 121.01 3ll5 s LEU 182 Ca 0.59 -0.90 0.25 0.00 -1.03 0.00 0.00 54.13 53.04 3ll5 s LEU 182 Cb -0.29 -2.47 0.88 0.00 0.03 0.00 0.00 46.19 44.34 3ll5 s LEU 182 CO 0.28 -0.95 1.75 0.54 0.23 0.00 0.00 176.35 178.20 3ll5 n ARG 183 N 6.34 0.25 -3.35 1.70 1.74 -1.26 -4.51 116.66 117.56 3ll5 n ARG 183 Ca -0.06 0.31 0.02 0.00 -0.77 0.00 0.00 57.85 57.35 3ll5 n ARG 183 Cb 0.45 -1.85 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3ll5 n ARG 183 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ll5 s ASP 184 N -4.48 -1.29 -0.36 0.55 3.68 -1.26 -2.15 116.67 111.36 3ll5 s ASP 184 Ca 0.08 1.16 -0.01 0.00 2.13 0.00 0.00 52.55 55.91 3ll5 s ASP 184 Cb 0.11 2.22 0.09 0.00 -1.45 0.00 0.00 42.92 43.89 3ll5 s ASP 184 CO 0.52 -0.24 0.11 -0.63 0.13 0.00 0.00 175.17 175.06 3ll5 s ILE 185 N 2.87 2.95 -0.27 4.11 1.01 0.44 -4.98 121.20 127.34 3ll5 s ILE 185 Ca 0.10 -1.95 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 3ll5 s ILE 185 Cb -0.14 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3ll5 s ILE 185 CO -0.20 -0.51 1.54 -0.62 0.00 0.00 0.00 174.94 175.14 3ll5 s ASP 186 N 1.46 6.39 -0.69 3.58 2.15 -1.26 -2.31 116.67 125.99 3ll5 s ASP 186 Ca 0.05 1.40 -0.27 0.00 0.43 0.00 0.00 52.55 54.16 3ll5 s ASP 186 Cb -0.21 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.89 3ll5 s ASP 186 CO -0.04 -1.28 1.47 -0.89 -0.17 0.00 0.00 175.17 174.25 3ll5 s THR 187 N 5.21 3.61 0.00 1.71 2.01 -1.26 -4.95 115.64 121.97 3ll5 s THR 187 Ca 0.68 0.36 0.00 0.00 0.31 0.00 0.00 61.69 63.03 3ll5 s THR 187 Cb -0.21 -4.59 0.00 0.00 0.01 0.00 0.00 72.50 67.71 3ll5 s THR 187 CO 0.29 -1.53 0.28 0.59 -0.69 0.00 0.00 174.62 173.56 3ll5 n ASN 188 N 10.46 0.00 0.00 3.53 3.02 -1.26 -4.96 115.26 126.04 3ll5 n ASN 188 Ca 0.09 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3ll5 n ASN 188 Cb 0.50 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3ll5 n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ll5 n GLY 201 N 0.00 0.00 0.16 7.41 0.00 -1.26 -5.32 105.19 106.18 3ll5 n GLY 201 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3ll5 n GLY 201 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ll5 h ILE 202 N 0.00 1.42 -0.43 -0.61 2.10 -2.05 -0.97 117.51 116.97 3ll5 h ILE 202 Ca 0.00 -2.24 0.06 0.00 1.08 0.00 0.00 64.86 63.75 3ll5 h ILE 202 Cb 0.00 2.19 -0.05 0.00 -1.09 0.00 0.00 36.82 37.87 3ll5 h ILE 202 CO 0.00 0.66 0.15 1.23 -1.08 0.00 0.00 178.15 179.11 3ll5 h GLY 203 N 1.51 0.56 2.00 8.18 0.00 -2.05 0.19 103.07 113.45 3ll5 h GLY 203 Ca -0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3ll5 h GLY 203 CO 0.12 0.02 -0.52 0.50 0.00 0.00 0.00 176.54 176.65 3ll5 h LYS 204 N 0.31 0.00 -0.25 4.80 1.57 -1.97 -2.20 116.57 118.83 3ll5 h LYS 204 Ca 0.20 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3ll5 h LYS 204 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ll5 h LYS 204 CO -0.21 0.52 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.86 3ll5 h LYS 205 N 0.00 0.51 -0.59 3.15 3.64 -0.41 -1.93 116.57 120.94 3ll5 h LYS 205 Ca -0.01 -0.22 0.06 0.00 -1.27 0.00 0.00 60.65 59.21 3ll5 h LYS 205 Cb 0.95 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.70 3ll5 h LYS 205 CO 0.07 0.78 0.29 0.35 -2.27 0.00 0.00 179.45 178.67 3ll5 h PHE 206 N 0.24 0.53 -0.16 1.91 3.57 -0.58 -2.09 116.94 120.35 3ll5 h PHE 206 Ca 0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3ll5 h PHE 206 Cb 0.62 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 3ll5 h PHE 206 CO 0.06 0.23 -0.16 0.93 -2.23 0.00 0.00 178.31 177.14 3ll5 h GLU 207 N 0.54 -0.18 -1.78 1.11 4.39 -1.12 -1.57 114.58 115.97 3ll5 h GLU 207 Ca 0.27 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.99 3ll5 h GLU 207 Cb 0.22 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3ll5 h GLU 207 CO -0.21 -0.12 0.00 0.43 -1.16 0.00 0.00 179.01 177.95 3ll5 n SER 208 N -5.31 0.19 0.00 1.42 7.64 -0.75 -1.67 113.62 115.14 3ll5 n SER 208 Ca -0.02 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.72 3ll5 n SER 208 Cb 0.23 -0.03 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 0.93 0.00 0.18 0.44 0.31 -0.59 -4.68 118.33 114.91 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 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.31 0.00 5.55 4.76 -0.67 -4.34 118.16 123.77 3ll5 n LYS 211 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3ll5 n LYS 211 Cb 0.00 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3ll5 n LYS 211 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3ll5 n LYS 213 N 1.13 0.00 0.08 1.97 3.00 -1.26 -4.51 118.16 118.57 3ll5 n LYS 213 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 3ll5 n LYS 213 Cb 0.15 -0.55 0.36 0.00 0.00 0.00 0.00 35.03 35.00 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 0.34 -0.00 3.14 3.41 -1.26 -2.75 113.62 116.50 3ll5 n SER 214 Ca 0.00 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.27 3ll5 n SER 214 Cb 0.00 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.22 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 -1.91 0.50 -4.13 4.04 7.64 -1.26 -4.92 113.62 113.58 3ll5 n SER 215 Ca 0.01 -0.67 -0.37 0.00 1.01 0.00 0.00 58.87 58.85 3ll5 n SER 215 Cb 0.10 1.02 -0.11 0.00 -1.01 0.00 0.00 64.21 64.21 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 -1.83 3.49 0.29 0.44 1.01 -1.11 -3.92 120.40 118.78 3ll5 s VAL 216 Ca 0.03 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 59.86 3ll5 s VAL 216 Cb 0.06 -3.36 0.29 0.00 0.00 0.00 0.00 36.38 33.37 3ll5 s VAL 216 CO 0.35 -0.74 1.72 0.11 0.00 0.00 0.00 175.10 176.54 3ll5 h LYS 217 N 7.91 0.50 -0.03 2.72 1.57 -1.60 -2.80 116.57 124.85 3ll5 h LYS 217 Ca -0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3ll5 h LYS 217 Cb 1.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3ll5 h LYS 217 CO 0.72 0.33 0.00 0.09 -0.57 0.00 0.00 179.45 180.02 3ll5 n ASN 218 N -4.95 2.47 0.00 0.86 5.03 0.02 -5.07 115.26 113.62 3ll5 n ASN 218 Ca 0.23 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.67 3ll5 n ASN 218 Cb 0.64 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 3ll5 n ASN 218 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ll5 n GLY 219 N -1.28 3.03 3.14 7.41 0.00 -1.06 -4.87 105.19 111.56 3ll5 n GLY 219 Ca 0.15 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.64 2.25 0.01 1.61 1.01 -0.87 -2.36 120.40 119.41 3ll5 s VAL 220 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3ll5 s VAL 220 Cb 0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3ll5 s VAL 220 CO 0.00 0.42 -0.06 -0.31 0.00 0.00 0.00 175.10 175.15 3ll5 s TYR 221 N 1.28 2.91 -0.17 5.22 1.51 0.17 -1.44 117.35 126.84 3ll5 s TYR 221 Ca 0.03 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 3ll5 s TYR 221 Cb -0.14 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3ll5 s TYR 221 CO -0.10 0.39 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.36 3ll5 s LEU 222 N -1.50 2.17 0.08 -1.29 2.96 -0.42 -0.38 118.68 120.29 3ll5 s LEU 222 Ca 0.18 -0.62 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3ll5 s LEU 222 Cb -0.11 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3ll5 s LEU 222 CO 0.09 0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 3ll5 s ILE 223 N 1.17 0.94 -0.26 6.68 1.01 -0.43 -1.47 121.20 128.84 3ll5 s ILE 223 Ca 0.02 -1.49 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 3ll5 s ILE 223 Cb -0.14 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3ll5 s ILE 223 CO -0.10 -0.45 1.24 0.21 0.00 0.00 0.00 174.94 175.84 3ll5 s ASN 224 N -2.16 6.82 0.28 3.58 3.84 -1.16 -1.84 114.94 124.29 3ll5 s ASN 224 Ca 0.02 1.32 0.21 0.00 0.21 0.00 0.00 52.86 54.62 3ll5 s ASN 224 Cb -0.06 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.15 3ll5 s ASN 224 CO 0.01 -0.93 1.64 0.61 -2.79 0.00 0.00 177.10 175.63 3ll5 n GLY 225 N 3.99 -0.96 0.10 1.21 0.00 0.57 -1.63 105.19 108.47 3ll5 n GLY 225 Ca 0.14 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.20 0.71 -2.94 1.61 4.13 -1.26 -3.70 115.26 111.61 3ll5 n ASN 226 Ca -0.00 0.60 -0.23 0.00 1.68 0.00 0.00 54.58 56.62 3ll5 n ASN 226 Cb 0.09 -0.78 -0.03 0.00 -1.54 0.00 0.00 39.78 37.52 3ll5 n ASN 226 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3ll5 n HIS 227 N -2.20 2.56 -0.08 3.10 8.25 -0.65 -4.95 115.22 121.25 3ll5 n HIS 227 Ca 0.05 -3.74 0.26 0.00 -0.26 0.00 0.00 57.72 54.02 3ll5 n HIS 227 Cb 0.36 -0.41 0.69 0.00 1.12 0.00 0.00 29.99 31.75 3ll5 n HIS 227 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ll5 h PRO 228 N 2.94 0.00 0.00 -0.41 0.13 -1.64 -0.56 132.00 132.46 3ll5 h PRO 228 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ll5 h PRO 228 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3ll5 h PRO 228 CO 0.70 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 3ll5 n GLU 229 N -3.75 0.10 0.29 0.86 0.00 -1.26 -1.28 120.64 115.60 3ll5 n GLU 229 Ca 0.15 0.45 0.19 0.00 0.00 0.00 0.00 57.16 57.95 3ll5 n GLU 229 Cb 0.96 -1.73 0.84 0.00 0.00 0.00 0.00 31.44 31.51 3ll5 n GLU 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ll5 h ARG 230 N 0.00 0.00 -0.87 3.44 3.08 -1.45 -2.05 114.38 116.53 3ll5 h ARG 230 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3ll5 h ARG 230 Cb 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3ll5 h ARG 230 CO 0.00 0.00 0.56 0.82 -1.07 0.00 0.00 179.97 180.28 3ll5 h ILE 231 N 0.00 1.13 0.00 2.04 2.04 -1.40 -0.97 117.51 120.35 3ll5 h ILE 231 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3ll5 h ILE 231 Cb 0.35 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3ll5 h ILE 231 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3ll5 n GLY 232 N -1.34 -0.87 0.69 5.37 0.00 -0.77 -2.55 105.19 105.72 3ll5 n GLY 232 Ca 0.11 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.51 2.11 -4.69 1.61 8.00 -0.37 -4.94 116.55 116.77 3ll5 n ASP 233 Ca 0.03 -1.74 -0.44 0.00 0.71 0.00 0.00 54.79 53.34 3ll5 n ASP 233 Cb 0.13 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.62 0.22 -0.53 0.53 5.41 -1.06 -1.36 119.36 123.20 3ll5 n ILE 234 Ca 0.17 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3ll5 n ILE 234 Cb 0.42 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 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 3.95 0.76 3.94 7.39 0.00 -1.26 -5.05 105.19 114.93 3ll5 n GLY 235 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3ll5 n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ll5 s LYS 236 N -0.47 3.42 0.53 1.61 1.02 -0.46 -4.97 119.74 120.42 3ll5 s LYS 236 Ca 0.00 -0.64 0.21 0.00 0.02 0.00 0.00 55.97 55.57 3ll5 s LYS 236 Cb 0.00 -2.94 1.37 0.00 -0.52 0.00 0.00 37.83 35.74 3ll5 s LYS 236 CO 0.00 0.50 2.09 0.93 -0.92 0.00 0.00 175.35 177.95 3ll5 h GLU 237 N 1.97 0.00 0.00 1.68 4.39 -1.97 -2.67 114.58 117.98 3ll5 h GLU 237 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3ll5 h GLU 237 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3ll5 h GLU 237 CO 0.67 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.39 3ll5 n SER 238 N -4.39 0.00 -4.70 1.42 3.41 -1.26 -4.87 113.62 103.24 3ll5 n SER 238 Ca 0.02 0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3ll5 n SER 238 Cb 0.31 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3ll5 n SER 238 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ll5 s PHE 239 N -2.64 2.87 -0.30 7.33 5.36 -1.01 -4.99 117.98 124.59 3ll5 s PHE 239 Ca 0.20 0.70 -0.07 0.00 -0.96 0.00 0.00 56.93 56.80 3ll5 s PHE 239 Cb 0.15 -3.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 3ll5 s PHE 239 CO 0.36 -2.92 0.08 0.42 -1.46 0.00 0.00 175.22 171.70 3ll5 s ILE 240 N 1.97 3.91 -5.00 3.12 1.01 -1.26 -5.02 121.20 119.92 3ll5 s ILE 240 Ca 0.67 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3ll5 s ILE 240 Cb -0.36 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3ll5 s ILE 240 CO 0.30 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3ll5 n GLY 241 N 4.85 -0.47 3.16 6.18 0.00 -1.26 -4.69 105.19 112.97 3ll5 n GLY 241 Ca -0.14 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.00 1.88 -0.16 2.61 2.01 -0.54 -4.36 115.64 114.08 3ll5 s THR 242 Ca 0.00 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3ll5 s THR 242 Cb 0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3ll5 s THR 242 CO 0.00 0.52 0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 3ll5 s VAL 243 N 0.60 4.80 -0.31 3.82 1.01 -0.91 -1.30 120.40 128.10 3ll5 s VAL 243 Ca -0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 3ll5 s VAL 243 Cb -0.17 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3ll5 s VAL 243 CO 0.04 0.51 0.10 -0.63 0.00 0.00 0.00 175.10 175.11 3ll5 s ILE 244 N -0.02 3.97 0.00 2.22 1.09 -0.52 -0.42 121.20 127.52 3ll5 s ILE 244 Ca 0.06 -0.82 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 3ll5 s ILE 244 Cb -0.12 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.16 3ll5 s ILE 244 CO 0.01 -0.02 0.01 -2.11 -0.10 0.00 0.00 174.94 172.73