#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r97 s LYS 2 N 0.00 4.08 -0.15 0.00 1.02 -1.26 0.18 119.74 123.61 2r97 s LYS 2 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2r97 s LYS 2 Cb 0.00 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2r97 s LYS 2 CO 0.00 -0.30 -0.18 0.08 -0.92 0.00 0.00 175.35 174.03 2r97 s VAL 3 N 2.16 1.81 -0.22 3.17 1.01 0.94 -0.44 120.40 128.82 2r97 s VAL 3 Ca 0.20 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2r97 s VAL 3 Cb -0.16 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2r97 s VAL 3 CO 0.09 0.50 0.09 -0.22 0.00 0.00 0.00 175.10 175.57 2r97 s LEU 4 N 1.23 3.76 -0.47 3.92 2.96 -0.16 -1.54 118.68 128.39 2r97 s LEU 4 Ca 0.01 -0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 2r97 s LEU 4 Cb -0.14 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.62 2r97 s LEU 4 CO -0.09 0.06 0.45 -0.69 -1.32 0.00 0.00 176.35 174.76 2r97 s VAL 5 N 1.04 5.13 -0.24 1.68 1.01 0.53 -0.03 120.40 129.52 2r97 s VAL 5 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2r97 s VAL 5 Cb -0.14 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2r97 s VAL 5 CO 0.03 -0.58 0.01 -0.22 0.00 0.00 0.00 175.10 174.35 2r97 s LEU 6 N 1.96 3.17 0.11 3.92 2.96 0.04 -0.74 118.68 130.10 2r97 s LEU 6 Ca 0.08 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2r97 s LEU 6 Cb -0.21 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2r97 s LEU 6 CO 0.09 -0.03 -0.02 -0.72 -1.32 0.00 0.00 176.35 174.35 2r97 s TYR 7 N 1.54 0.85 -0.02 5.38 -0.85 -0.62 0.05 117.35 123.69 2r97 s TYR 7 Ca 0.06 -1.04 0.06 0.00 -0.52 0.00 0.00 57.07 55.63 2r97 s TYR 7 Cb -0.15 -0.51 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 2r97 s TYR 7 CO -0.00 -0.29 -0.20 -0.47 -1.52 0.00 0.00 175.55 173.06 2r97 s TYR 8 N -3.79 1.84 -0.14 -3.49 5.04 0.92 -1.20 117.35 116.52 2r97 s TYR 8 Ca 0.15 -0.37 -0.08 0.00 -2.44 0.00 0.00 57.07 54.34 2r97 s TYR 8 Cb 0.07 -1.19 0.05 0.00 0.35 0.00 0.00 41.96 41.24 2r97 s TYR 8 CO -0.03 -0.05 0.34 0.45 -1.34 0.00 0.00 175.55 174.92 2r97 s SER 9 N -0.43 -0.40 -0.19 4.32 0.15 -1.26 -4.12 113.70 111.77 2r97 s SER 9 Ca 0.07 0.73 -0.15 0.00 0.70 0.00 0.00 55.95 57.29 2r97 s SER 9 Cb -0.08 0.62 -0.21 0.00 -1.71 0.00 0.00 66.02 64.64 2r97 s SER 9 CO -0.00 -0.17 0.19 0.80 1.20 0.00 0.00 173.24 175.25 2r97 n MET 10 N 4.11 0.64 -0.07 5.44 1.56 -1.26 -4.65 117.12 122.88 2r97 n MET 10 Ca -0.23 0.43 0.02 0.00 -0.27 0.00 0.00 57.70 57.65 2r97 n MET 10 Cb 0.55 -1.70 0.06 0.00 2.15 0.00 0.00 33.22 34.28 2r97 n MET 10 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2r97 n TYR 11 N -4.05 0.19 -0.03 1.12 4.01 -1.26 0.95 117.16 118.08 2r97 n TYR 11 Ca -0.35 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 2r97 n TYR 11 Cb 0.83 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2r97 n TYR 11 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r97 n GLY 12 N -0.01 0.35 0.06 2.72 0.00 -1.26 -4.82 105.19 102.22 2r97 n GLY 12 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2r97 n GLY 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2r97 h HIS 13 N 0.00 -0.01 -0.88 1.61 3.86 -1.95 -2.22 115.15 115.57 2r97 h HIS 13 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2r97 h HIS 13 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2r97 h HIS 13 CO 0.00 0.62 0.56 0.82 0.86 0.00 0.00 177.93 180.79 2r97 h ILE 14 N -0.64 1.23 -0.50 2.45 1.08 -1.92 -1.39 117.51 117.82 2r97 h ILE 14 Ca -0.00 -0.46 0.09 0.00 -0.39 0.00 0.00 64.86 64.10 2r97 h ILE 14 Cb 0.63 -0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.26 2r97 h ILE 14 CO 0.00 0.23 0.05 -0.08 -0.69 0.00 0.00 178.15 177.66 2r97 h GLU 15 N 1.20 0.16 -0.51 2.37 4.81 -1.83 1.08 114.58 121.87 2r97 h GLU 15 Ca 0.32 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2r97 h GLU 15 Cb -0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2r97 h GLU 15 CO -0.07 0.11 -0.13 1.15 -0.73 0.00 0.00 179.01 179.35 2r97 h THR 16 N 0.17 1.27 -0.62 0.32 2.02 -1.12 -0.86 112.91 114.09 2r97 h THR 16 Ca 0.25 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 2r97 h THR 16 Cb 0.37 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2r97 h THR 16 CO -0.38 0.44 0.31 0.24 0.37 0.00 0.00 175.52 176.50 2r97 h MET 17 N 0.85 0.89 -0.66 6.66 2.86 -0.29 -2.03 114.93 123.19 2r97 h MET 17 Ca 0.13 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2r97 h MET 17 Cb 0.68 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2r97 h MET 17 CO 0.05 0.70 0.35 0.00 1.06 0.00 0.00 176.91 179.06 2r97 h ALA 18 N 1.14 0.85 -0.73 6.32 0.00 0.18 -0.75 119.26 126.27 2r97 h ALA 18 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2r97 h ALA 18 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2r97 h ALA 18 CO -0.03 0.39 0.37 0.00 0.00 0.00 0.00 179.25 179.98 2r97 h ARG 19 N 0.91 1.05 0.08 0.00 2.47 -0.98 -0.67 114.38 117.24 2r97 h ARG 19 Ca 0.23 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 2r97 h ARG 19 Cb 0.07 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.17 2r97 h ARG 19 CO -0.03 0.81 -0.20 0.00 0.56 0.00 0.00 179.97 181.10 2r97 h ALA 20 N 1.18 -0.31 -0.35 0.04 0.00 -1.01 0.13 119.26 118.94 2r97 h ALA 20 Ca 0.25 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2r97 h ALA 20 Cb 0.09 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2r97 h ALA 20 CO -0.03 -0.72 -0.21 0.28 0.00 0.00 0.00 179.25 178.57 2r97 h VAL 21 N -0.36 0.42 -0.71 0.00 2.07 -0.78 -0.76 116.25 116.12 2r97 h VAL 21 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2r97 h VAL 21 Cb 0.40 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2r97 h VAL 21 CO -0.13 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.82 2r97 h ALA 22 N 1.05 0.92 -0.54 1.67 0.00 -0.94 -0.58 119.26 120.83 2r97 h ALA 22 Ca 0.18 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2r97 h ALA 22 Cb 0.43 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2r97 h ALA 22 CO -0.45 0.46 0.28 1.49 0.00 0.00 0.00 179.25 181.03 2r97 h GLU 23 N 0.99 0.52 -0.32 0.00 4.81 -0.36 -0.69 114.58 119.53 2r97 h GLU 23 Ca 0.25 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2r97 h GLU 23 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2r97 h GLU 23 CO -0.03 0.34 0.18 0.78 -0.73 0.00 0.00 179.01 179.55 2r97 h GLY 24 N 0.53 0.44 1.23 1.92 0.00 -0.76 -2.92 103.07 103.52 2r97 h GLY 24 Ca 0.24 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2r97 h GLY 24 CO -0.17 0.12 0.49 0.00 0.00 0.00 0.00 176.54 176.99 2r97 h ALA 25 N 1.14 1.50 0.00 3.60 0.00 -0.83 -2.62 119.26 122.06 2r97 h ALA 25 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2r97 h ALA 25 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2r97 h ALA 25 CO -0.06 0.45 -0.00 0.66 0.00 0.00 0.00 179.25 180.30 2r97 h SER 26 N 0.97 0.00 0.39 0.00 4.64 -0.93 -2.03 113.55 116.59 2r97 h SER 26 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2r97 h SER 26 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2r97 h SER 26 CO -0.07 0.00 -0.06 0.11 -0.87 0.00 0.00 176.83 175.94 2r97 h LYS 27 N 0.00 0.00 -5.92 4.77 1.57 -1.48 -3.41 116.57 112.10 2r97 h LYS 27 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2r97 h LYS 27 Cb 0.25 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.44 2r97 h LYS 27 CO 0.00 0.06 0.45 0.08 -0.57 0.00 0.00 179.45 179.47 2r97 s VAL 28 N -4.10 4.60 0.24 0.50 1.01 -0.77 -5.01 120.40 116.87 2r97 s VAL 28 Ca -0.03 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2r97 s VAL 28 Cb 0.12 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 2r97 s VAL 28 CO 0.53 -0.71 1.53 -0.62 0.00 0.00 0.00 175.10 175.83 2r97 s ASP 29 N 2.13 6.55 0.00 3.32 2.15 -1.26 -1.96 116.67 127.59 2r97 s ASP 29 Ca 0.33 2.74 0.00 0.00 0.43 0.00 0.00 52.55 56.05 2r97 s ASP 29 Cb -0.12 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2r97 s ASP 29 CO 0.23 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 2r97 n GLY 30 N 2.66 0.74 3.60 2.66 0.00 -1.26 -5.04 105.19 108.56 2r97 n GLY 30 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2r97 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r97 s ALA 31 N -2.47 3.54 -0.36 4.61 0.00 -0.83 -4.43 121.76 121.82 2r97 s ALA 31 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2r97 s ALA 31 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.67 2r97 s ALA 31 CO 0.00 -0.52 0.17 -2.00 0.00 0.00 0.00 175.76 173.40 2r97 s GLU 32 N 1.71 2.74 -0.08 0.00 2.12 0.49 -4.84 118.70 120.84 2r97 s GLU 32 Ca 0.08 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.29 2r97 s GLU 32 Cb -0.16 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 2r97 s GLU 32 CO 0.10 -0.69 -0.06 0.54 -0.54 0.00 0.00 175.26 174.61 2r97 s VAL 33 N 1.49 3.73 0.02 3.70 0.11 -1.26 -0.04 120.40 128.16 2r97 s VAL 33 Ca 0.01 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 2r97 s VAL 33 Cb -0.19 -2.54 -0.02 0.00 -1.53 0.00 0.00 36.38 32.10 2r97 s VAL 33 CO 0.05 0.58 -0.12 0.54 -3.33 0.00 0.00 175.10 172.83 2r97 s VAL 34 N -0.62 0.93 -0.22 2.04 0.11 -0.59 -4.98 120.40 117.07 2r97 s VAL 34 Ca 0.09 -0.81 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 2r97 s VAL 34 Cb -0.12 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2r97 s VAL 34 CO 0.02 0.03 0.01 -0.69 -3.33 0.00 0.00 175.10 171.15 2r97 s VAL 35 N -0.70 3.91 0.14 2.04 1.01 -1.26 -0.34 120.40 125.19 2r97 s VAL 35 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2r97 s VAL 35 Cb -0.07 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2r97 s VAL 35 CO 0.01 0.39 -0.08 -0.54 0.00 0.00 0.00 175.10 174.88 2r97 s LYS 36 N 1.38 1.00 0.11 2.72 1.02 0.08 -4.22 119.74 121.82 2r97 s LYS 36 Ca 0.05 -1.43 0.07 0.00 0.02 0.00 0.00 55.97 54.68 2r97 s LYS 36 Cb -0.15 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.65 2r97 s LYS 36 CO 0.01 0.03 -0.10 -0.98 -0.92 0.00 0.00 175.35 173.40 2r97 s ARG 37 N -3.79 2.14 0.45 1.68 1.70 -0.36 -1.59 118.95 119.18 2r97 s ARG 37 Ca 0.16 -1.02 -0.21 0.00 -0.47 0.00 0.00 55.73 54.18 2r97 s ARG 37 Cb 0.04 -2.31 -0.10 0.00 -0.57 0.00 0.00 34.95 32.01 2r97 s ARG 37 CO -0.01 0.51 1.00 0.14 -1.08 0.00 0.00 175.30 175.86 2r97 s VAL 38 N -1.23 4.06 0.27 4.99 -7.23 -0.34 -0.34 120.40 120.57 2r97 s VAL 38 Ca 0.22 1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 61.41 2r97 s VAL 38 Cb -0.11 -3.56 -0.13 0.00 0.56 0.00 0.00 36.38 33.13 2r97 s VAL 38 CO 0.14 -0.23 1.32 -2.65 -0.31 0.00 0.00 175.10 173.37 2r97 n PRO 39 N -0.67 1.93 -2.03 4.82 -0.02 -1.26 -4.88 135.00 132.88 2r97 n PRO 39 Ca 0.08 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 2r97 n PRO 39 Cb 0.53 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2r97 n PRO 39 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2r97 s GLU 40 N -0.89 4.29 -0.20 -0.52 2.56 -1.26 -4.88 118.70 117.80 2r97 s GLU 40 Ca 0.64 2.31 0.02 0.00 0.00 0.00 0.00 54.97 57.94 2r97 s GLU 40 Cb -0.65 -3.05 -0.21 0.00 2.00 0.00 0.00 34.13 32.23 2r97 s GLU 40 CO 0.54 -0.28 0.01 2.41 -0.56 0.00 0.00 175.26 177.38 2r97 n THR 41 N 0.80 1.56 -2.60 -1.70 -1.04 -1.26 -4.95 114.28 105.09 2r97 n THR 41 Ca 0.01 -0.64 -0.36 0.00 -2.04 0.00 0.00 64.05 61.01 2r97 n THR 41 Cb 0.41 -1.37 -0.05 0.00 -1.82 0.00 0.00 70.33 67.51 2r97 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r97 s MET 42 N -2.53 4.22 0.48 -2.82 0.00 -1.26 -5.01 119.30 112.38 2r97 s MET 42 Ca -0.27 1.45 -0.24 0.00 0.00 0.00 0.00 55.69 56.63 2r97 s MET 42 Cb 0.08 -2.54 -0.08 0.00 0.00 0.00 0.00 34.83 32.30 2r97 s MET 42 CO 0.68 -0.08 1.30 -2.30 0.00 0.00 0.00 175.02 174.62 2r97 n PRO 43 N -0.05 1.83 0.26 3.16 -0.02 -1.26 -4.74 135.00 134.18 2r97 n PRO 43 Ca 0.05 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 2r97 n PRO 43 Cb 0.50 -2.46 0.68 0.00 -0.02 0.00 0.00 33.50 32.21 2r97 n PRO 43 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2r97 h PRO 44 N 1.81 0.00 -0.41 0.52 0.11 -1.98 -0.92 132.00 131.13 2r97 h PRO 44 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2r97 h PRO 44 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2r97 h PRO 44 CO 0.59 0.13 0.16 1.96 -0.21 0.00 0.00 178.00 180.63 2r97 h GLN 45 N 0.00 0.61 0.00 1.05 7.50 -1.99 -1.30 115.11 120.98 2r97 h GLN 45 Ca -0.00 -0.11 -0.11 0.00 0.50 0.00 0.00 58.65 58.92 2r97 h GLN 45 Cb 0.33 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.75 2r97 h GLN 45 CO 0.02 0.57 -0.55 -0.07 -1.50 0.00 0.00 178.83 177.30 2r97 h LEU 46 N 0.51 0.00 -0.05 1.46 3.38 -1.60 -2.20 115.31 116.82 2r97 h LEU 46 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2r97 h LEU 46 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2r97 h LEU 46 CO -0.01 0.55 -0.53 0.15 0.09 0.00 0.00 178.44 178.69 2r97 h PHE 47 N 0.00 0.62 -0.10 1.13 3.57 -1.12 -2.13 116.94 118.91 2r97 h PHE 47 Ca -0.01 -0.30 -0.13 0.00 3.53 0.00 0.00 57.97 61.06 2r97 h PHE 47 Cb 0.98 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2r97 h PHE 47 CO 0.00 1.10 -0.52 0.93 -2.23 0.00 0.00 178.31 177.59 2r97 h GLU 48 N -0.04 0.28 -0.52 1.11 5.08 -1.30 0.12 114.58 119.31 2r97 h GLU 48 Ca -0.05 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2r97 h GLU 48 Cb 1.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2r97 h GLU 48 CO 0.11 0.73 0.16 -0.22 -1.00 0.00 0.00 179.01 178.78 2r97 h LYS 49 N 0.22 0.77 0.00 2.33 3.64 -1.39 -1.94 116.57 120.20 2r97 h LYS 49 Ca 0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2r97 h LYS 49 Cb 0.98 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2r97 h LYS 49 CO 0.08 0.67 0.00 0.00 -2.27 0.00 0.00 179.45 177.93 2r97 n ALA 50 N -2.46 2.10 -1.55 5.00 0.00 -0.80 -4.87 120.51 117.93 2r97 n ALA 50 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2r97 n ALA 50 Cb 0.19 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 2r97 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r97 n GLY 51 N 0.69 0.49 3.71 0.00 0.00 -0.73 -5.02 105.19 104.33 2r97 n GLY 51 Ca 0.09 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 2r97 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r97 s GLY 52 N -2.89 2.29 -0.22 -0.02 0.00 0.38 -4.89 107.32 101.97 2r97 s GLY 52 Ca 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 45.49 2r97 s GLY 52 CO 0.00 1.29 0.17 1.25 0.00 0.00 0.00 173.10 175.81 2r97 s LYS 53 N -3.99 4.13 0.19 2.90 2.20 0.27 -4.75 119.74 120.68 2r97 s LYS 53 Ca 0.74 -0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.87 2r97 s LYS 53 Cb -0.29 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 2r97 s LYS 53 CO 0.47 0.14 0.88 0.99 -0.36 0.00 0.00 175.35 177.47 2r97 s THR 54 N 0.82 4.25 0.09 3.43 2.01 -1.26 -4.85 115.64 120.13 2r97 s THR 54 Ca 0.09 1.94 0.04 0.00 0.31 0.00 0.00 61.69 64.06 2r97 s THR 54 Cb -0.13 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2r97 s THR 54 CO 0.03 0.48 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.24 2r97 s GLN 55 N -0.98 0.83 -0.10 4.92 -0.21 -1.26 -5.07 119.66 117.78 2r97 s GLN 55 Ca 0.40 -1.14 0.14 0.00 0.02 0.00 0.00 55.36 54.78 2r97 s GLN 55 Cb -0.24 -0.53 -0.24 0.00 1.00 0.00 0.00 33.01 33.00 2r97 s GLN 55 CO 0.29 0.08 0.43 2.41 -2.12 0.00 0.00 175.29 176.39 2r97 n THR 56 N 0.61 1.54 -1.84 -0.19 -1.04 -1.26 -4.96 114.28 107.13 2r97 n THR 56 Ca -0.16 -0.81 -0.37 0.00 -2.04 0.00 0.00 64.05 60.67 2r97 n THR 56 Cb 0.57 -0.87 0.05 0.00 -1.82 0.00 0.00 70.33 68.27 2r97 n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r97 s ALA 57 N -2.56 2.56 0.51 2.41 0.00 -1.26 -4.93 121.76 118.48 2r97 s ALA 57 Ca -0.08 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 2r97 s ALA 57 Cb 0.07 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2r97 s ALA 57 CO 0.82 -1.40 1.23 -1.25 0.00 0.00 0.00 175.76 175.17 2r97 s PRO 58 N -3.21 3.45 -0.18 0.00 0.04 -1.26 -4.65 135.00 129.19 2r97 s PRO 58 Ca 0.78 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 63.45 2r97 s PRO 58 Cb -0.36 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 2r97 s PRO 58 CO 0.40 -0.84 1.05 0.08 0.04 0.00 0.00 177.00 177.72 2r97 s VAL 59 N -1.48 4.68 0.52 -0.36 1.01 -1.26 -1.23 120.40 122.28 2r97 s VAL 59 Ca 0.68 1.99 -0.20 0.00 0.00 0.00 0.00 61.98 64.46 2r97 s VAL 59 Cb -0.32 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 2r97 s VAL 59 CO 0.38 -0.11 1.09 0.00 0.00 0.00 0.00 175.10 176.46 2r97 s ALA 60 N 2.79 2.76 0.11 5.51 0.00 0.54 -4.91 121.76 128.57 2r97 s ALA 60 Ca 0.46 0.72 0.04 0.00 0.00 0.00 0.00 51.96 53.18 2r97 s ALA 60 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2r97 s ALA 60 CO 0.11 -0.60 0.10 0.95 0.00 0.00 0.00 175.76 176.32 2r97 s THR 61 N -1.88 4.53 0.52 0.00 -4.23 -1.26 -4.63 115.64 108.68 2r97 s THR 61 Ca 0.70 -0.87 0.19 0.00 -1.18 0.00 0.00 61.69 60.54 2r97 s THR 61 Cb -0.21 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.73 2r97 s THR 61 CO 0.25 0.05 2.08 -0.65 -0.54 0.00 0.00 174.62 175.81 2r97 h PRO 62 N 3.00 0.04 -0.01 3.99 0.11 -1.90 -2.97 132.00 134.25 2r97 h PRO 62 Ca -0.47 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 2r97 h PRO 62 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2r97 h PRO 62 CO 0.65 0.03 -0.76 1.96 -0.21 0.00 0.00 178.00 179.67 2r97 h GLN 63 N 0.04 0.13 0.00 1.05 7.50 -1.96 -3.06 115.11 118.81 2r97 h GLN 63 Ca 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2r97 h GLN 63 Cb 0.40 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.95 2r97 h GLN 63 CO -0.01 0.82 0.00 1.05 -1.50 0.00 0.00 178.83 179.20 2r97 h GLU 64 N 0.08 0.00 0.00 1.46 4.11 -1.95 -2.77 114.58 115.52 2r97 h GLU 64 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2r97 h GLU 64 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2r97 h GLU 64 CO 0.11 0.00 -0.00 -0.07 0.07 0.00 0.00 179.01 179.12 2r97 h LEU 65 N 0.00 0.00 -1.97 3.06 3.38 -1.66 1.00 115.31 119.12 2r97 h LEU 65 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2r97 h LEU 65 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2r97 h LEU 65 CO 0.00 0.00 0.50 0.00 0.09 0.00 0.00 178.44 179.03 2r97 h ALA 66 N 2.00 2.38 -0.00 1.53 0.00 -1.70 -3.02 119.26 120.44 2r97 h ALA 66 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2r97 h ALA 66 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2r97 h ALA 66 CO 0.00 -0.79 -0.00 -0.25 0.00 0.00 0.00 179.25 178.21 2r97 n ASP 67 N -3.96 0.01 -4.59 0.00 8.00 0.34 -4.87 116.55 111.49 2r97 n ASP 67 Ca 0.11 0.06 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 2r97 n ASP 67 Cb 0.72 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 41.38 2r97 n ASP 67 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2r97 s TYR 68 N -2.71 2.74 -0.11 1.24 2.02 -1.15 -4.92 117.35 114.46 2r97 s TYR 68 Ca 0.24 -0.16 0.16 0.00 -0.37 0.00 0.00 57.07 56.93 2r97 s TYR 68 Cb 0.20 -1.40 -0.11 0.00 -0.40 0.00 0.00 41.96 40.25 2r97 s TYR 68 CO 0.48 0.46 0.95 -0.44 -1.57 0.00 0.00 175.55 175.43 2r97 h ASP 69 N 3.35 0.00 -4.00 2.29 3.32 -1.09 -3.46 116.42 116.83 2r97 h ASP 69 Ca -0.48 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.30 2r97 h ASP 69 Cb 1.18 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 2r97 h ASP 69 CO 0.54 0.62 -0.73 0.00 -1.72 0.00 0.00 179.24 177.94 2r97 s ALA 70 N -2.89 0.25 -0.10 3.45 0.00 -0.68 -2.34 121.76 119.44 2r97 s ALA 70 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2r97 s ALA 70 Cb 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2r97 s ALA 70 CO 0.80 0.03 -0.15 0.42 0.00 0.00 0.00 175.76 176.86 2r97 s ILE 71 N -0.30 1.46 -0.31 0.00 1.01 -0.11 -0.99 121.20 121.96 2r97 s ILE 71 Ca -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2r97 s ILE 71 Cb -0.03 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.14 2r97 s ILE 71 CO -0.00 0.43 0.08 -0.63 0.00 0.00 0.00 174.94 174.82 2r97 s ILE 72 N 0.92 3.79 -0.11 2.92 1.01 0.95 -2.33 121.20 128.35 2r97 s ILE 72 Ca -0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 2r97 s ILE 72 Cb -0.15 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2r97 s ILE 72 CO -0.00 -0.03 0.42 -0.36 0.00 0.00 0.00 174.94 174.97 2r97 s PHE 73 N 1.44 3.53 -0.10 3.97 0.08 -0.21 -0.78 117.98 125.91 2r97 s PHE 73 Ca 0.00 0.82 0.03 0.00 0.12 0.00 0.00 56.93 57.91 2r97 s PHE 73 Cb -0.18 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 2r97 s PHE 73 CO 0.02 0.25 -0.20 0.20 -0.10 0.00 0.00 175.22 175.39 2r97 s GLY 74 N 0.35 1.18 -0.10 4.36 0.00 0.11 -1.45 107.32 111.77 2r97 s GLY 74 Ca 0.23 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 44.02 2r97 s GLY 74 CO 0.09 -0.11 0.28 -1.08 0.00 0.00 0.00 173.10 172.28 2r97 s THR 75 N 0.57 0.00 0.65 0.90 -1.32 -1.04 -0.06 115.64 115.34 2r97 s THR 75 Ca -0.15 -0.04 -0.16 0.00 -1.21 0.00 0.00 61.69 60.14 2r97 s THR 75 Cb -0.17 -0.41 -0.00 0.00 -1.51 0.00 0.00 72.50 70.40 2r97 s THR 75 CO 0.05 -0.02 1.13 -2.16 -2.21 0.00 0.00 174.62 171.41 2r97 s PRO 76 N 0.05 2.79 0.08 7.08 0.04 -1.26 -3.52 135.00 140.26 2r97 s PRO 76 Ca -0.01 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2r97 s PRO 76 Cb -0.02 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2r97 s PRO 76 CO 0.01 -1.27 0.99 0.95 0.04 0.00 0.00 177.00 177.72 2r97 s THR 77 N -2.20 4.54 -0.44 1.26 -4.23 0.35 -3.72 115.64 111.19 2r97 s THR 77 Ca 0.69 2.00 0.03 0.00 -1.18 0.00 0.00 61.69 63.23 2r97 s THR 77 Cb -0.22 -4.28 0.13 0.00 1.34 0.00 0.00 72.50 69.47 2r97 s THR 77 CO 0.40 0.26 0.22 -0.13 -0.54 0.00 0.00 174.62 174.82 2r97 s ARG 78 N 0.33 1.48 -1.45 3.99 1.81 0.35 -4.80 118.95 120.66 2r97 s ARG 78 Ca 0.49 -2.11 -0.10 0.00 -1.72 0.00 0.00 55.73 52.29 2r97 s ARG 78 Cb -0.23 -2.70 0.05 0.00 -0.45 0.00 0.00 34.95 31.61 2r97 s ARG 78 CO 0.30 -1.11 0.96 1.19 -0.68 0.00 0.00 175.30 175.96 2r97 n PHE 79 N 3.58 -2.31 -1.10 -0.53 3.72 -1.26 -2.08 117.46 117.47 2r97 n PHE 79 Ca 0.06 0.91 -0.03 0.00 -0.05 0.00 0.00 57.45 58.34 2r97 n PHE 79 Cb 0.35 -4.28 -0.01 0.00 -0.94 0.00 0.00 39.48 34.59 2r97 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r97 n GLY 80 N -1.70 0.64 3.46 1.37 0.00 -1.26 -5.01 105.19 102.69 2r97 n GLY 80 Ca -0.05 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2r97 n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r97 s ASN 81 N -2.63 2.82 1.07 1.61 -0.87 -0.89 -2.40 114.94 113.66 2r97 s ASN 81 Ca 0.00 -1.26 -0.12 0.00 -1.57 0.00 0.00 52.86 49.91 2r97 s ASN 81 Cb 0.00 -0.18 0.23 0.00 -0.02 0.00 0.00 41.25 41.28 2r97 s ASN 81 CO 0.00 -0.42 1.07 0.00 -2.57 0.00 0.00 177.10 175.18 2r97 s MET 82 N -3.77 -0.21 0.65 -0.60 0.23 -1.26 -0.50 119.30 113.85 2r97 s MET 82 Ca 0.32 1.11 -0.16 0.00 -1.03 0.00 0.00 55.69 55.93 2r97 s MET 82 Cb 0.06 -1.62 -0.00 0.00 -1.53 0.00 0.00 34.83 31.74 2r97 s MET 82 CO 0.14 -3.33 1.15 -1.54 -2.03 0.00 0.00 175.02 169.41 2r97 s SER 83 N -2.57 4.96 0.55 -1.18 1.04 -1.24 -4.51 113.70 110.74 2r97 s SER 83 Ca 0.68 2.16 0.25 0.00 0.48 0.00 0.00 55.95 59.52 2r97 s SER 83 Cb -0.24 -2.57 1.45 0.00 0.10 0.00 0.00 66.02 64.76 2r97 s SER 83 CO 0.62 -1.74 2.05 1.23 0.98 0.00 0.00 173.24 176.38 2r97 h GLY 84 N 0.20 0.00 0.77 7.32 0.00 -1.96 0.40 103.07 109.79 2r97 h GLY 84 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 2r97 h GLY 84 CO 0.53 0.00 -0.07 1.46 0.00 0.00 0.00 176.54 178.46 2r97 h GLN 85 N 0.00 0.35 -0.50 4.80 7.50 -1.91 0.24 115.11 125.59 2r97 h GLN 85 Ca 0.16 -0.15 -0.09 0.00 0.50 0.00 0.00 58.65 59.07 2r97 h GLN 85 Cb 0.69 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.19 2r97 h GLN 85 CO -0.00 0.65 -0.07 1.98 -1.50 0.00 0.00 178.83 179.89 2r97 h MET 86 N 0.03 0.89 -0.35 1.46 4.05 -1.78 -2.07 114.93 117.16 2r97 h MET 86 Ca 0.04 -0.29 -0.13 0.00 -0.28 0.00 0.00 59.70 59.04 2r97 h MET 86 Cb 0.54 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2r97 h MET 86 CO 0.02 0.93 -0.29 -0.09 0.23 0.00 0.00 176.91 177.70 2r97 h ARG 87 N 0.81 0.82 -0.36 0.39 9.65 -0.80 0.08 114.38 124.98 2r97 h ARG 87 Ca 0.14 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.60 2r97 h ARG 87 Cb 0.57 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 2r97 h ARG 87 CO 0.03 1.05 0.20 1.15 2.80 0.00 0.00 179.97 185.21 2r97 h THR 88 N 0.61 1.14 0.08 0.20 2.02 -0.51 -0.28 112.91 116.17 2r97 h THR 88 Ca 0.06 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.90 2r97 h THR 88 Cb 0.87 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2r97 h THR 88 CO 0.08 0.14 -0.12 0.15 0.37 0.00 0.00 175.52 176.13 2r97 h PHE 89 N 0.46 -0.32 0.00 3.16 3.57 -1.24 -2.59 116.94 119.98 2r97 h PHE 89 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2r97 h PHE 89 Cb 0.05 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2r97 h PHE 89 CO -0.03 -0.19 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.65 2r97 h LEU 90 N -0.25 0.00 0.00 0.59 3.38 -0.87 -1.81 115.31 116.35 2r97 h LEU 90 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r97 h LEU 90 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2r97 h LEU 90 CO -0.07 0.14 0.00 0.47 0.09 0.00 0.00 178.44 179.08 2r97 n ASP 91 N -3.67 0.00 -1.19 -0.43 10.43 -0.13 -2.36 116.55 119.21 2r97 n ASP 91 Ca -0.02 0.32 0.09 0.00 2.57 0.00 0.00 54.79 57.75 2r97 n ASP 91 Cb 0.26 -0.39 0.28 0.00 1.84 0.00 0.00 41.12 43.12 2r97 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2r97 n GLN 92 N -1.39 3.11 -0.50 -1.24 6.02 -0.68 -4.40 117.38 118.30 2r97 n GLN 92 Ca 0.03 -2.58 0.09 0.00 -0.01 0.00 0.00 57.00 54.54 2r97 n GLN 92 Cb 0.09 -1.61 0.31 0.00 1.02 0.00 0.00 30.24 30.06 2r97 n GLN 92 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2r97 n THR 93 N 0.98 1.64 -0.20 5.09 -2.24 -0.99 -4.53 114.28 114.02 2r97 n THR 93 Ca 0.21 -1.21 0.10 0.00 -2.27 0.00 0.00 64.05 60.88 2r97 n THR 93 Cb 0.68 0.20 0.40 0.00 -2.10 0.00 0.00 70.33 69.51 2r97 n THR 93 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2r97 h GLY 94 N 3.59 0.95 0.76 3.38 0.00 -1.79 0.23 103.07 110.19 2r97 h GLY 94 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2r97 h GLY 94 CO 0.16 0.14 -0.29 -1.33 0.00 0.00 0.00 176.54 175.23 2r97 h GLY 95 N 0.64 0.45 0.60 4.60 0.00 -1.96 -1.23 103.07 106.18 2r97 h GLY 95 Ca 0.36 -0.55 0.09 0.00 0.00 0.00 0.00 47.33 47.23 2r97 h GLY 95 CO -0.13 0.50 0.60 1.41 0.00 0.00 0.00 176.54 178.91 2r97 h LEU 96 N -0.01 0.91 -0.11 3.11 3.38 -1.76 -2.21 115.31 118.62 2r97 h LEU 96 Ca -0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r97 h LEU 96 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2r97 h LEU 96 CO 0.06 0.54 0.06 -0.25 0.09 0.00 0.00 178.44 178.94 2r97 h TRP 97 N 1.02 0.15 -0.84 1.13 7.01 -0.43 -0.54 115.95 123.45 2r97 h TRP 97 Ca 0.44 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.49 2r97 h TRP 97 Cb 0.31 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.27 2r97 h TRP 97 CO -0.02 0.20 0.55 0.00 -2.79 0.00 0.00 178.44 176.38 2r97 h ALA 98 N 0.94 1.53 -0.00 2.65 0.00 -0.99 -2.49 119.26 120.90 2r97 h ALA 98 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r97 h ALA 98 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2r97 h ALA 98 CO -0.01 0.36 -0.34 -1.13 0.00 0.00 0.00 179.25 178.14 2r97 n SER 99 N -4.47 0.35 -0.46 0.00 3.41 -0.85 -4.94 113.62 106.66 2r97 n SER 99 Ca 0.12 -0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2r97 n SER 99 Cb 0.16 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 2r97 n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r97 n GLY 100 N 1.50 0.41 0.22 5.00 0.00 -0.61 -4.94 105.19 106.77 2r97 n GLY 100 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2r97 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r97 h ALA 101 N 0.13 1.34 -0.23 4.61 0.00 -1.40 -1.74 119.26 121.97 2r97 h ALA 101 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2r97 h ALA 101 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2r97 h ALA 101 CO 0.13 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.12 2r97 n LEU 102 N -4.17 2.78 -4.70 0.00 4.77 -1.26 -4.79 117.00 109.63 2r97 n LEU 102 Ca -0.01 -1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 54.43 2r97 n LEU 102 Cb 0.36 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2r97 n LEU 102 CO 0.40 0.56 1.40 0.00 -1.33 0.00 0.00 177.39 178.41 2r97 n TYR 103 N 1.08 2.66 -0.90 -1.77 9.36 -0.66 -2.28 117.16 124.65 2r97 n TYR 103 Ca 0.17 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.38 2r97 n TYR 103 Cb 0.52 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.54 2r97 n TYR 103 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2r97 n GLY 104 N 4.04 0.40 3.82 2.98 0.00 0.56 -4.95 105.19 112.04 2r97 n GLY 104 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2r97 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r97 s LYS 105 N -0.68 3.71 0.26 1.61 1.02 -0.97 -4.51 119.74 120.18 2r97 s LYS 105 Ca 0.00 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 2r97 s LYS 105 Cb 0.00 -2.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 2r97 s LYS 105 CO 0.00 -0.48 1.09 -0.51 -0.92 0.00 0.00 175.35 174.53 2r97 s LEU 106 N -4.03 4.55 0.06 3.17 1.43 -0.99 -0.43 118.68 122.43 2r97 s LEU 106 Ca 0.63 2.23 0.04 0.00 -1.03 0.00 0.00 54.13 56.00 2r97 s LEU 106 Cb -0.13 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2r97 s LEU 106 CO 0.29 -0.14 -0.12 0.00 0.23 0.00 0.00 176.35 176.62 2r97 s ALA 107 N -1.03 0.94 0.10 4.21 0.00 0.10 -0.93 121.76 125.15 2r97 s ALA 107 Ca 0.45 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 2r97 s ALA 107 Cb -0.31 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2r97 s ALA 107 CO 0.40 0.10 0.50 0.45 0.00 0.00 0.00 175.76 177.21 2r97 s SER 108 N -1.58 -0.41 0.01 0.00 0.15 -0.98 -0.76 113.70 110.13 2r97 s SER 108 Ca -0.04 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.58 2r97 s SER 108 Cb -0.10 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2r97 s SER 108 CO 0.01 -0.83 -0.05 -0.69 1.20 0.00 0.00 173.24 172.88 2r97 s VAL 109 N -3.25 0.34 0.12 4.45 1.01 -1.26 -1.04 120.40 120.76 2r97 s VAL 109 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2r97 s VAL 109 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2r97 s VAL 109 CO -0.08 -0.10 -0.08 0.72 0.00 0.00 0.00 175.10 175.56 2r97 s PHE 110 N -0.57 1.03 0.14 5.22 -0.71 -0.53 -3.91 117.98 118.65 2r97 s PHE 110 Ca -0.03 -0.86 -0.01 0.00 -1.04 0.00 0.00 56.93 54.98 2r97 s PHE 110 Cb -0.05 -0.56 0.01 0.00 -1.21 0.00 0.00 43.02 41.20 2r97 s PHE 110 CO -0.00 -0.07 0.20 0.45 -1.34 0.00 0.00 175.22 174.46 2r97 n SER 111 N -0.10 -0.57 -3.61 1.98 2.88 0.15 -2.49 113.62 111.86 2r97 n SER 111 Ca -0.11 -1.72 -0.16 0.00 -1.33 0.00 0.00 58.87 55.54 2r97 n SER 111 Cb 0.61 1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 65.04 2r97 n SER 111 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2r97 s SER 112 N -1.84 -0.54 0.21 -3.46 1.04 -1.23 -2.98 113.70 104.90 2r97 s SER 112 Ca 0.11 0.66 0.02 0.00 0.48 0.00 0.00 55.95 57.22 2r97 s SER 112 Cb -0.01 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2r97 s SER 112 CO 0.08 -0.49 0.03 0.42 0.98 0.00 0.00 173.24 174.26 2r97 s THR 113 N -0.92 0.68 -0.11 2.02 -4.23 0.24 -0.49 115.64 112.83 2r97 s THR 113 Ca -0.09 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.19 2r97 s THR 113 Cb -0.02 -2.30 -0.21 0.00 1.34 0.00 0.00 72.50 71.31 2r97 s THR 113 CO 0.07 -0.31 0.71 1.23 -0.54 0.00 0.00 174.62 175.78 2r97 h GLY 114 N 2.57 -0.02 0.00 3.99 0.00 -1.86 0.52 103.07 108.27 2r97 h GLY 114 Ca -0.37 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2r97 h GLY 114 CO 0.62 -0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.85 2r97 n THR 115 N -4.69 0.29 0.00 4.70 -2.24 -1.26 -0.88 114.28 110.21 2r97 n THR 115 Ca -0.08 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2r97 n THR 115 Cb 0.37 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 2r97 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r97 n GLY 116 N -0.15 2.37 3.74 3.38 0.00 -1.26 -5.06 105.19 108.21 2r97 n GLY 116 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2r97 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r97 s GLY 117 N -1.42 2.17 0.00 -0.02 0.00 -1.26 -3.24 107.32 103.55 2r97 s GLY 117 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.05 2r97 s GLY 117 CO 0.00 2.35 0.00 0.61 0.00 0.00 0.00 173.10 176.06 2r97 n GLY 118 N 2.52 1.15 0.27 0.20 0.00 -1.26 -4.77 105.19 103.31 2r97 n GLY 118 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2r97 n GLY 118 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2r97 h GLN 119 N 3.44 0.79 -0.60 1.61 -0.00 -1.93 -0.62 115.11 117.79 2r97 h GLN 119 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2r97 h GLN 119 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.48 27.27 2r97 h GLN 119 CO 0.00 0.52 0.39 0.93 -0.00 0.00 0.00 178.83 180.67 2r97 h GLU 120 N 0.81 0.78 -0.49 0.06 5.08 -1.92 -2.31 114.58 116.59 2r97 h GLU 120 Ca 0.29 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2r97 h GLU 120 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2r97 h GLU 120 CO -0.14 0.51 -0.17 1.96 -1.00 0.00 0.00 179.01 180.17 2r97 h GLN 121 N 0.80 0.98 -0.39 2.33 1.08 -1.71 -2.08 115.11 116.11 2r97 h GLN 121 Ca 0.22 -0.40 0.07 0.00 -1.45 0.00 0.00 58.65 57.10 2r97 h GLN 121 Cb -0.08 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.24 2r97 h GLN 121 CO -0.05 1.07 -0.03 1.15 -0.95 0.00 0.00 178.83 180.02 2r97 h THR 122 N 0.83 0.67 0.06 -0.54 2.02 -0.76 0.53 112.91 115.73 2r97 h THR 122 Ca 0.12 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2r97 h THR 122 Cb 0.75 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2r97 h THR 122 CO 0.06 0.01 -0.03 0.40 0.37 0.00 0.00 175.52 176.33 2r97 h ILE 123 N 0.07 1.13 -0.41 3.11 2.04 -1.34 -1.90 117.51 120.21 2r97 h ILE 123 Ca 0.19 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 2r97 h ILE 123 Cb 0.28 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2r97 h ILE 123 CO -0.35 0.16 -0.20 0.71 0.00 0.00 0.00 178.15 178.47 2r97 h THR 124 N -0.37 1.27 0.00 -0.27 1.35 -1.30 0.12 112.91 113.71 2r97 h THR 124 Ca -0.01 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 2r97 h THR 124 Cb 0.33 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2r97 h THR 124 CO 0.01 0.44 -0.08 0.77 -0.25 0.00 0.00 175.52 176.41 2r97 h SER 125 N 0.69 0.00 -0.03 5.36 4.64 -0.93 -2.45 113.55 120.83 2r97 h SER 125 Ca 0.10 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 2r97 h SER 125 Cb 0.71 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2r97 h SER 125 CO 0.05 0.08 -0.72 0.74 -0.87 0.00 0.00 176.83 176.11 2r97 h THR 126 N 0.00 1.36 -0.97 2.95 2.02 -0.56 -3.28 112.91 114.42 2r97 h THR 126 Ca -0.00 -2.07 0.23 0.00 0.77 0.00 0.00 66.41 65.33 2r97 h THR 126 Cb 0.52 2.42 -0.12 0.00 -1.74 0.00 0.00 68.15 69.23 2r97 h THR 126 CO 0.01 0.62 0.55 -0.50 0.37 0.00 0.00 175.52 176.57 2r97 h TRP 127 N 0.12 0.94 -0.46 3.16 6.55 -0.55 -2.08 115.95 123.64 2r97 h TRP 127 Ca -0.08 0.04 0.09 0.00 0.95 0.00 0.00 58.89 59.89 2r97 h TRP 127 Cb 1.40 -0.26 -0.09 0.00 -0.86 0.00 0.00 29.16 29.35 2r97 h TRP 127 CO 0.12 0.07 -0.13 1.15 -1.05 0.00 0.00 178.44 178.60 2r97 h THR 128 N 0.57 0.51 -0.71 1.49 2.02 -1.53 0.84 112.91 116.10 2r97 h THR 128 Ca 0.61 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.72 2r97 h THR 128 Cb 1.12 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2r97 h THR 128 CO -0.47 0.00 0.17 0.74 0.37 0.00 0.00 175.52 176.33 2r97 h THR 129 N -0.03 1.26 -0.92 3.16 2.02 -1.52 -1.25 112.91 115.64 2r97 h THR 129 Ca 0.22 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2r97 h THR 129 Cb 0.36 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2r97 h THR 129 CO -0.48 0.38 0.52 -0.07 0.37 0.00 0.00 175.52 176.24 2r97 h LEU 130 N 1.07 1.13 -1.09 2.58 3.38 -1.07 -2.13 115.31 119.19 2r97 h LEU 130 Ca 0.22 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2r97 h LEU 130 Cb 0.38 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2r97 h LEU 130 CO 0.00 0.89 -0.12 0.00 0.09 0.00 0.00 178.44 179.30 2r97 h ALA 131 N 1.30 1.24 -0.06 1.53 0.00 -0.36 -0.29 119.26 122.62 2r97 h ALA 131 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2r97 h ALA 131 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2r97 h ALA 131 CO -0.06 0.50 -0.01 0.45 0.00 0.00 0.00 179.25 180.13 2r97 h HIS 132 N 0.46 0.08 -0.06 0.00 3.86 -0.58 -0.07 115.15 118.84 2r97 h HIS 132 Ca 0.09 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2r97 h HIS 132 Cb 0.50 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2r97 h HIS 132 CO 0.02 0.09 0.00 0.72 0.86 0.00 0.00 177.93 179.62 2r97 n HIS 133 N -4.48 0.07 -1.88 2.45 -0.00 -0.73 -4.90 115.22 105.75 2r97 n HIS 133 Ca -0.02 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.72 57.52 2r97 n HIS 133 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.08 2r97 n HIS 133 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2r97 n GLY 134 N 1.07 0.55 3.80 -1.41 0.00 -0.04 -3.19 105.19 105.97 2r97 n GLY 134 Ca 0.18 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2r97 n GLY 134 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r97 s MET 135 N -4.03 4.11 -0.07 1.61 1.00 -0.20 -0.32 119.30 121.41 2r97 s MET 135 Ca 0.00 1.31 -0.26 0.00 0.00 0.00 0.00 55.69 56.73 2r97 s MET 135 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 34.83 32.51 2r97 s MET 135 CO 0.00 -0.16 0.83 0.08 0.00 0.00 0.00 175.02 175.77 2r97 s VAL 136 N -1.94 4.95 -0.21 -6.03 1.01 0.42 -4.51 120.40 114.09 2r97 s VAL 136 Ca 0.62 1.70 -0.10 0.00 0.00 0.00 0.00 61.98 64.20 2r97 s VAL 136 Cb -0.15 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2r97 s VAL 136 CO 0.19 0.17 0.13 -0.63 0.00 0.00 0.00 175.10 174.96 2r97 s ILE 137 N 1.17 5.29 -0.44 2.22 1.01 -1.26 0.03 121.20 129.22 2r97 s ILE 137 Ca 0.43 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 2r97 s ILE 137 Cb -0.19 -3.43 0.12 0.00 0.01 0.00 0.00 42.46 38.98 2r97 s ILE 137 CO 0.20 0.41 0.24 -0.69 0.00 0.00 0.00 174.94 175.10 2r97 s VAL 138 N 0.60 3.30 0.64 2.92 1.01 0.06 -4.96 120.40 123.98 2r97 s VAL 138 Ca 0.07 -2.23 -0.12 0.00 0.00 0.00 0.00 61.98 59.70 2r97 s VAL 138 Cb -0.12 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2r97 s VAL 138 CO 0.00 -0.72 1.04 -2.84 0.00 0.00 0.00 175.10 172.59 2r97 s PRO 139 N 0.92 3.29 -0.01 2.72 0.02 -1.26 -4.40 135.00 136.28 2r97 s PRO 139 Ca 0.10 0.93 0.21 0.00 0.02 0.00 0.00 61.00 62.26 2r97 s PRO 139 Cb -0.22 -2.04 -0.26 0.00 0.02 0.00 0.00 34.50 32.00 2r97 s PRO 139 CO -0.04 -0.82 0.76 0.44 -0.33 0.00 0.00 177.00 177.01 2r97 n ILE 140 N -2.71 0.00 -3.50 2.83 -5.35 -0.63 -5.00 119.36 105.00 2r97 n ILE 140 Ca 0.07 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2r97 n ILE 140 Cb 0.54 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2r97 n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r97 n GLY 141 N 1.43 2.55 2.77 3.28 0.00 0.52 -3.77 105.19 111.97 2r97 n GLY 141 Ca 0.02 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2r97 n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r97 s TYR 142 N 0.00 2.55 0.96 1.61 2.02 -1.26 -3.80 117.35 119.44 2r97 s TYR 142 Ca 0.00 -2.82 -0.12 0.00 -0.37 0.00 0.00 57.07 53.76 2r97 s TYR 142 Cb 0.00 -2.17 0.17 0.00 -0.40 0.00 0.00 41.96 39.56 2r97 s TYR 142 CO 0.00 -0.71 1.09 0.00 -1.57 0.00 0.00 175.55 174.36 2r97 s ALA 143 N -0.35 1.07 -0.21 3.71 0.00 -1.25 -4.87 121.76 119.87 2r97 s ALA 143 Ca 0.22 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 2r97 s ALA 143 Cb -0.15 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 2r97 s ALA 143 CO -0.08 -2.74 2.16 0.00 0.00 0.00 0.00 175.76 175.10 2r97 n ALA 144 N -4.15 1.51 0.00 0.00 0.00 -1.26 -4.86 120.51 111.75 2r97 n ALA 144 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2r97 n ALA 144 Cb 0.55 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2r97 n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r97 n GLN 145 N 8.29 0.00 0.00 0.00 0.00 -1.26 -0.33 117.38 124.08 2r97 n GLN 145 Ca 0.31 0.00 0.14 0.00 0.00 0.00 0.00 57.00 57.45 2r97 n GLN 145 Cb 0.38 0.00 0.67 0.00 0.00 0.00 0.00 30.24 31.28 2r97 n GLN 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2r97 n GLU 146 N -2.89 0.42 0.14 2.61 0.28 -1.26 -2.53 120.64 117.42 2r97 n GLU 146 Ca 0.00 -0.07 0.13 0.00 -0.16 0.00 0.00 57.16 57.06 2r97 n GLU 146 Cb 0.00 -1.50 0.35 0.00 1.43 0.00 0.00 31.44 31.72 2r97 n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2r97 h LEU 147 N 0.17 0.00 -9.45 -1.84 3.38 -1.05 -3.44 115.31 103.07 2r97 h LEU 147 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2r97 h LEU 147 Cb 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2r97 h LEU 147 CO 0.00 0.00 0.10 -0.36 0.09 0.00 0.00 178.44 178.27 2r97 s PHE 148 N -3.14 3.66 -2.00 1.13 0.40 -1.05 -4.85 117.98 112.12 2r97 s PHE 148 Ca 0.10 1.33 0.11 0.00 -0.60 0.00 0.00 56.93 57.87 2r97 s PHE 148 Cb 0.10 -2.79 0.66 0.00 0.51 0.00 0.00 43.02 41.51 2r97 s PHE 148 CO 0.61 0.20 1.39 -0.40 0.70 0.00 0.00 175.22 177.72 2r97 n ASP 149 N 3.25 0.00 -3.82 1.36 3.85 -1.26 -4.51 116.55 115.42 2r97 n ASP 149 Ca -0.02 -1.57 -0.24 0.00 -0.71 0.00 0.00 54.79 52.25 2r97 n ASP 149 Cb 0.51 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.11 2r97 n ASP 149 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2r97 s VAL 150 N -2.00 0.58 0.00 2.12 1.01 -1.26 -5.09 120.40 115.76 2r97 s VAL 150 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2r97 s VAL 150 Cb 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2r97 s VAL 150 CO 0.13 0.29 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 2r97 n SER 151 N 5.03 0.00 -2.91 3.32 3.41 -1.26 -3.91 113.62 117.30 2r97 n SER 151 Ca -0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 2r97 n SER 151 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 2r97 n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r97 n GLN 152 N 0.00 2.60 -2.64 4.33 3.00 -1.26 -4.88 117.38 118.54 2r97 n GLN 152 Ca 0.00 -1.56 -0.41 0.00 -0.01 0.00 0.00 57.00 55.02 2r97 n GLN 152 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 30.24 27.77 2r97 n GLN 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2r97 s VAL 153 N 2.31 4.19 0.08 5.09 1.01 -1.25 -5.03 120.40 126.78 2r97 s VAL 153 Ca 0.56 1.88 -0.02 0.00 0.00 0.00 0.00 61.98 64.40 2r97 s VAL 153 Cb 0.18 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2r97 s VAL 153 CO -0.03 0.32 0.26 -0.13 0.00 0.00 0.00 175.10 175.51 2r97 s ARG 154 N -0.27 3.50 0.74 2.72 3.00 -1.26 -5.01 118.95 122.37 2r97 s ARG 154 Ca 0.47 -0.31 -0.12 0.00 0.00 0.00 0.00 55.73 55.77 2r97 s ARG 154 Cb -0.26 -2.99 0.18 0.00 0.00 0.00 0.00 34.95 31.88 2r97 s ARG 154 CO 0.32 0.58 0.68 0.41 0.00 0.00 0.00 175.30 177.28 2r97 n GLY 155 N 0.32 -2.55 0.00 -3.53 0.00 -1.26 -4.78 105.19 93.38 2r97 n GLY 155 Ca -0.05 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2r97 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r97 n GLY 156 N -1.82 1.28 2.23 -0.02 0.00 -1.26 -5.04 105.19 100.56 2r97 n GLY 156 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2r97 n GLY 156 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2r97 n THR 157 N -0.33 -0.35 0.28 2.61 5.66 -1.26 -4.99 114.28 115.90 2r97 n THR 157 Ca 0.00 -4.18 0.17 0.00 -3.05 0.00 0.00 64.05 57.00 2r97 n THR 157 Cb 0.00 -0.74 0.68 0.00 -1.55 0.00 0.00 70.33 68.72 2r97 n THR 157 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2r97 h PRO 158 N 3.38 0.00 0.07 1.09 0.13 -1.94 -3.26 132.00 131.48 2r97 h PRO 158 Ca 0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.94 2r97 h PRO 158 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2r97 h PRO 158 CO 0.47 0.00 -1.32 1.88 -0.23 0.00 0.00 178.00 178.79 2r97 h TYR 159 N 0.00 0.29 0.00 1.56 0.99 -1.94 0.18 116.97 118.04 2r97 h TYR 159 Ca 0.00 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.52 2r97 h TYR 159 Cb 0.51 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.23 2r97 h TYR 159 CO 0.00 1.21 0.00 0.41 -0.00 0.00 0.00 178.16 179.78 2r97 n GLY 160 N 1.53 1.11 3.77 3.88 0.00 -1.23 -4.13 105.19 110.12 2r97 n GLY 160 Ca -0.10 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2r97 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r97 s ALA 161 N -2.00 3.54 0.15 4.61 0.00 -1.25 -4.84 121.76 121.96 2r97 s ALA 161 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2r97 s ALA 161 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2r97 s ALA 161 CO 0.00 -0.75 -0.01 -0.08 0.00 0.00 0.00 175.76 174.93 2r97 s THR 162 N -0.94 0.59 0.07 0.00 -1.32 -1.26 -0.68 115.64 112.10 2r97 s THR 162 Ca 0.51 -1.96 -0.07 0.00 -1.21 0.00 0.00 61.69 58.97 2r97 s THR 162 Cb -0.42 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.56 2r97 s THR 162 CO 0.54 -0.57 0.13 0.28 -2.21 0.00 0.00 174.62 172.78 2r97 s THR 163 N -3.71 0.15 -0.25 5.08 -1.32 -1.16 -4.87 115.64 109.57 2r97 s THR 163 Ca 0.21 -1.27 -0.07 0.00 -1.21 0.00 0.00 61.69 59.35 2r97 s THR 163 Cb 0.06 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 2r97 s THR 163 CO 0.02 -0.70 0.07 -0.63 -2.21 0.00 0.00 174.62 171.17 2r97 s ILE 164 N -3.51 4.29 -0.60 5.08 -1.09 -1.26 -0.59 121.20 123.53 2r97 s ILE 164 Ca 0.03 -0.20 0.24 0.00 -2.23 0.00 0.00 60.65 58.49 2r97 s ILE 164 Cb 0.04 -3.02 0.13 0.00 -1.58 0.00 0.00 42.46 38.03 2r97 s ILE 164 CO -0.09 0.32 1.43 0.00 -1.23 0.00 0.00 174.94 175.37 2r97 h ALA 165 N 8.24 0.71 -0.23 9.38 0.00 -0.04 -3.41 119.26 133.92 2r97 h ALA 165 Ca -0.38 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2r97 h ALA 165 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2r97 h ALA 165 CO 0.58 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 180.17 2r97 n GLY 166 N 1.29 -2.76 0.32 0.00 0.00 -0.05 -0.87 105.19 103.11 2r97 n GLY 166 Ca 0.04 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.86 2r97 n GLY 166 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2r97 h GLY 167 N -0.04 0.00 1.68 -0.02 0.00 -1.94 -0.10 103.07 102.65 2r97 h GLY 167 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2r97 h GLY 167 CO 0.00 0.00 -0.59 -1.80 0.00 0.00 0.00 176.54 174.15 2r97 h ASP 168 N 0.00 0.37 0.00 0.19 -0.00 -1.90 -3.48 116.42 111.60 2r97 h ASP 168 Ca 0.08 -0.21 0.00 0.00 -0.00 0.00 0.00 57.03 56.90 2r97 h ASP 168 Cb 0.39 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.61 2r97 h ASP 168 CO -0.00 0.88 0.00 0.61 -0.00 0.00 0.00 179.24 180.73 2r97 n GLY 169 N 0.26 1.92 0.19 -0.78 0.00 -0.05 -4.92 105.19 101.82 2r97 n GLY 169 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2r97 n GLY 169 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r97 h SER 170 N 0.00 0.00 -3.71 1.61 4.64 -1.71 -3.46 113.55 110.92 2r97 h SER 170 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2r97 h SER 170 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2r97 h SER 170 CO 0.00 0.00 0.50 -0.60 -0.87 0.00 0.00 176.83 175.86 2r97 s ARG 171 N -3.20 4.59 0.22 4.77 3.52 -0.05 -5.03 118.95 123.77 2r97 s ARG 171 Ca 0.08 1.82 0.08 0.00 -0.13 0.00 0.00 55.73 57.58 2r97 s ARG 171 Cb 0.07 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 2r97 s ARG 171 CO 0.65 0.11 0.01 -0.65 -0.81 0.00 0.00 175.30 174.61 2r97 s GLN 172 N -1.06 2.37 0.16 5.12 -1.52 -1.26 -4.47 119.66 118.99 2r97 s GLN 172 Ca 0.47 -1.26 -0.34 0.00 -1.95 0.00 0.00 55.36 52.28 2r97 s GLN 172 Cb -0.32 -2.26 -0.15 0.00 -0.22 0.00 0.00 33.01 30.06 2r97 s GLN 172 CO 0.40 0.41 1.40 -2.30 -0.25 0.00 0.00 175.29 174.95 2r97 n PRO 173 N -0.56 1.67 -2.02 2.91 -0.02 -1.26 -4.95 135.00 130.76 2r97 n PRO 173 Ca -0.08 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 2r97 n PRO 173 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2r97 n PRO 173 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2r97 s SER 174 N 0.50 6.10 0.43 2.55 1.04 -1.26 -4.88 113.70 118.18 2r97 s SER 174 Ca 0.77 1.59 0.15 0.00 0.48 0.00 0.00 55.95 58.95 2r97 s SER 174 Cb -0.78 -2.50 1.04 0.00 0.10 0.00 0.00 66.02 63.87 2r97 s SER 174 CO 0.45 -0.95 1.93 1.56 0.98 0.00 0.00 173.24 177.22 2r97 h GLN 175 N 0.18 0.41 0.26 4.02 1.08 -1.98 -0.16 115.11 118.92 2r97 h GLN 175 Ca -0.45 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 2r97 h GLN 175 Cb 1.20 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2r97 h GLN 175 CO 0.60 0.27 -0.16 1.49 -0.95 0.00 0.00 178.83 180.08 2r97 h GLU 176 N 0.42 -0.39 -0.60 1.46 4.81 -1.95 -0.42 114.58 117.92 2r97 h GLU 176 Ca 0.35 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.66 2r97 h GLU 176 Cb 0.76 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 2r97 h GLU 176 CO -0.11 -0.26 0.30 0.93 -0.73 0.00 0.00 179.01 179.15 2r97 h GLU 177 N -0.40 0.54 0.00 1.92 5.08 -1.75 -2.84 114.58 117.14 2r97 h GLU 177 Ca -0.03 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2r97 h GLU 177 Cb 0.33 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2r97 h GLU 177 CO 0.03 0.36 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.83 2r97 h LEU 178 N 0.56 0.00 -0.37 1.33 3.38 -0.97 -2.24 115.31 117.00 2r97 h LEU 178 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2r97 h LEU 178 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2r97 h LEU 178 CO -0.20 0.50 0.18 -1.28 0.09 0.00 0.00 178.44 177.73 2r97 h SER 179 N 0.00 0.49 -0.65 -0.43 0.87 -0.90 0.91 113.55 113.84 2r97 h SER 179 Ca -0.01 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2r97 h SER 179 Cb 1.00 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2r97 h SER 179 CO 0.07 0.48 0.26 0.40 -0.53 0.00 0.00 176.83 177.50 2r97 h ILE 180 N 0.47 1.24 -0.20 2.23 2.04 -1.30 0.31 117.51 122.29 2r97 h ILE 180 Ca 0.13 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.28 2r97 h ILE 180 Cb 0.12 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2r97 h ILE 180 CO -0.02 0.29 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 2r97 h ALA 181 N 1.11 0.15 -0.53 1.87 0.00 -1.20 0.41 119.26 121.07 2r97 h ALA 181 Ca 0.22 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2r97 h ALA 181 Cb 0.21 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2r97 h ALA 181 CO -0.02 -0.45 0.24 0.00 0.00 0.00 0.00 179.25 179.02 2r97 h ARG 182 N 0.04 0.44 0.00 0.00 3.08 -0.62 -1.72 114.38 115.60 2r97 h ARG 182 Ca 0.09 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2r97 h ARG 182 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2r97 h ARG 182 CO -0.17 0.29 -0.18 -0.92 -1.07 0.00 0.00 179.97 177.92 2r97 h TYR 183 N 0.45 -0.46 -0.50 3.04 3.20 -0.64 -1.10 116.97 120.96 2r97 h TYR 183 Ca 0.25 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.23 2r97 h TYR 183 Cb 0.22 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.60 2r97 h TYR 183 CO -0.13 -0.26 -0.05 0.37 -1.64 0.00 0.00 178.16 176.45 2r97 h GLN 184 N -0.29 0.06 -0.42 1.82 4.15 -0.49 0.28 115.11 120.22 2r97 h GLN 184 Ca 0.05 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.48 2r97 h GLN 184 Cb 0.36 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2r97 h GLN 184 CO -0.17 0.04 0.26 0.78 -1.93 0.00 0.00 178.83 177.82 2r97 h GLY 185 N 0.06 0.58 1.06 2.39 0.00 -1.07 -1.33 103.07 104.75 2r97 h GLY 185 Ca 0.25 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 2r97 h GLY 185 CO -0.46 0.19 0.11 -2.09 0.00 0.00 0.00 176.54 174.28 2r97 h GLU 186 N 0.53 1.07 0.32 4.80 4.81 -0.56 -0.93 114.58 124.63 2r97 h GLU 186 Ca 0.16 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2r97 h GLU 186 Cb -0.03 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2r97 h GLU 186 CO -0.05 0.98 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.14 2r97 h TYR 187 N 0.98 -0.40 0.00 0.92 3.20 -0.27 -1.55 116.97 119.86 2r97 h TYR 187 Ca 0.20 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 2r97 h TYR 187 Cb 0.43 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2r97 h TYR 187 CO 0.03 -0.18 -0.49 -0.39 -1.64 0.00 0.00 178.16 175.49 2r97 h VAL 188 N -0.54 1.25 -0.20 1.81 -1.51 -1.25 -2.16 116.25 113.65 2r97 h VAL 188 Ca -0.04 -1.74 -0.14 0.00 -1.23 0.00 0.00 66.70 63.55 2r97 h VAL 188 Cb 0.40 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2r97 h VAL 188 CO 0.07 0.48 -0.45 0.00 -1.23 0.00 0.00 177.57 176.44 2r97 h ALA 189 N 1.51 0.84 -0.40 5.19 0.00 -1.18 -0.62 119.26 124.60 2r97 h ALA 189 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2r97 h ALA 189 Cb 0.93 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2r97 h ALA 189 CO 0.06 0.65 0.23 0.78 0.00 0.00 0.00 179.25 180.97 2r97 h GLY 190 N 1.10 0.59 0.99 0.00 0.00 -1.07 -1.93 103.07 102.75 2r97 h GLY 190 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2r97 h GLY 190 CO 0.08 0.25 0.29 -2.00 0.00 0.00 0.00 176.54 175.17 2r97 h LEU 191 N 0.52 0.79 -1.11 3.11 5.85 -1.23 -1.37 115.31 121.87 2r97 h LEU 191 Ca 0.14 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2r97 h LEU 191 Cb 0.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2r97 h LEU 191 CO -0.02 0.70 0.13 0.00 -0.34 0.00 0.00 178.44 178.91 2r97 h ALA 192 N 1.12 1.28 -0.19 1.25 0.00 -0.88 -0.76 119.26 121.09 2r97 h ALA 192 Ca 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2r97 h ALA 192 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2r97 h ALA 192 CO -0.03 0.51 -0.18 0.28 0.00 0.00 0.00 179.25 179.83 2r97 h VAL 193 N 0.74 1.33 0.00 0.00 2.07 -1.24 0.21 116.25 119.37 2r97 h VAL 193 Ca 0.17 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2r97 h VAL 193 Cb 0.26 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2r97 h VAL 193 CO -0.00 0.40 -0.01 0.50 0.02 0.00 0.00 177.57 178.48 2r97 h LYS 194 N 0.11 0.00 0.02 1.57 3.64 -0.85 -2.91 116.57 118.16 2r97 h LYS 194 Ca 0.03 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.09 2r97 h LYS 194 Cb 0.72 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 2r97 h LYS 194 CO 0.04 0.01 -1.93 1.28 -2.27 0.00 0.00 179.45 176.59 2r97 n LEU 195 N -4.19 1.13 -0.00 5.20 4.32 -0.33 -4.85 117.00 118.28 2r97 n LEU 195 Ca -0.03 0.27 0.01 0.00 -0.02 0.00 0.00 56.01 56.25 2r97 n LEU 195 Cb 0.10 -0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 41.84 2r97 n LEU 195 CO 0.31 0.52 -0.02 0.59 -1.22 0.00 0.00 177.39 177.57 2r97 n ASN 196 N -3.08 0.24 -0.53 -1.43 3.02 0.05 -5.07 115.26 108.47 2r97 n ASN 196 Ca -0.24 -0.54 0.14 0.00 -0.03 0.00 0.00 54.58 53.91 2r97 n ASN 196 Cb 1.07 1.00 0.48 0.00 -0.61 0.00 0.00 39.78 41.73 2r97 n ASN 196 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25