#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s78 n ILE 2 N 0.00 1.73 -4.76 0.53 5.41 -1.26 -5.00 119.36 116.01 1s78 n ILE 2 Ca 0.00 -0.43 -0.33 0.00 1.00 0.00 0.00 62.75 62.99 1s78 n ILE 2 Cb 0.00 -1.62 -0.13 0.00 -0.71 0.00 0.00 39.64 37.18 1s78 n ILE 2 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1s78 s GLN 3 N -1.51 2.85 -0.20 0.38 -1.52 -1.26 -4.83 119.66 113.56 1s78 s GLN 3 Ca 0.58 -0.64 -0.04 0.00 -1.95 0.00 0.00 55.36 53.31 1s78 s GLN 3 Cb -0.57 -2.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.68 1s78 s GLN 3 CO 0.59 0.52 -0.04 -1.64 -0.25 0.00 0.00 175.29 174.47 1s78 s MET 4 N -0.43 3.45 -0.52 2.91 -1.94 -1.26 -1.47 119.30 120.04 1s78 s MET 4 Ca 0.06 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 1s78 s MET 4 Cb -0.12 -2.99 0.13 0.00 2.01 0.00 0.00 34.83 33.86 1s78 s MET 4 CO 0.02 -0.08 0.27 0.95 -0.01 0.00 0.00 175.02 176.16 1s78 s THR 5 N 1.19 2.74 0.63 2.05 -4.23 0.24 -3.78 115.64 114.49 1s78 s THR 5 Ca 0.02 -3.17 -0.16 0.00 -1.18 0.00 0.00 61.69 57.21 1s78 s THR 5 Cb -0.14 -2.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 1s78 s THR 5 CO -0.01 -0.79 1.11 -1.10 -0.54 0.00 0.00 174.62 173.29 1s78 s GLN 6 N -0.13 2.95 -0.25 3.99 -0.21 -1.26 -2.32 119.66 122.41 1s78 s GLN 6 Ca 0.16 1.41 -0.21 0.00 0.02 0.00 0.00 55.36 56.74 1s78 s GLN 6 Cb -0.24 -1.97 0.07 0.00 1.00 0.00 0.00 33.01 31.87 1s78 s GLN 6 CO -0.01 -1.14 0.66 -1.54 -2.12 0.00 0.00 175.29 171.14 1s78 s SER 7 N -2.47 -0.75 0.83 5.90 1.04 -0.65 -4.55 113.70 113.04 1s78 s SER 7 Ca 0.67 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.35 1s78 s SER 7 Cb -0.21 1.35 0.10 0.00 0.10 0.00 0.00 66.02 67.36 1s78 s SER 7 CO 0.39 -0.23 1.19 -2.16 0.98 0.00 0.00 173.24 173.41 1s78 s PRO 8 N 0.71 1.76 0.20 4.02 0.04 -1.26 -2.33 135.00 138.15 1s78 s PRO 8 Ca -0.03 0.01 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 1s78 s PRO 8 Cb -0.05 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.68 1s78 s PRO 8 CO -0.05 -1.71 1.57 0.77 0.04 0.00 0.00 177.00 177.62 1s78 h SER 9 N -1.13 0.75 -4.56 6.66 0.02 -1.83 -3.41 113.55 110.05 1s78 h SER 9 Ca -0.46 -0.32 -0.21 0.00 -0.84 0.00 0.00 61.79 59.96 1s78 h SER 9 Cb 1.31 -0.21 -0.23 0.00 0.14 0.00 0.00 62.40 63.41 1s78 h SER 9 CO 0.61 1.04 -0.71 -0.55 -1.14 0.00 0.00 176.83 176.08 1s78 s SER 10 N -6.83 0.30 -0.11 3.07 0.15 -1.26 -1.22 113.70 107.80 1s78 s SER 10 Ca -0.09 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 1s78 s SER 10 Cb 0.12 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1s78 s SER 10 CO 0.84 -0.18 0.27 -1.48 1.20 0.00 0.00 173.24 173.89 1s78 s LEU 11 N -1.02 0.49 -0.15 3.45 0.05 -0.65 -4.92 118.68 115.92 1s78 s LEU 11 Ca -0.10 0.58 -0.07 0.00 0.05 0.00 0.00 54.13 54.59 1s78 s LEU 11 Cb -0.07 0.86 -0.04 0.00 -2.05 0.00 0.00 46.19 44.89 1s78 s LEU 11 CO -0.00 -0.15 0.09 -0.44 -0.55 0.00 0.00 176.35 175.29 1s78 s SER 12 N 0.99 5.88 -0.09 1.48 0.01 -1.26 -0.90 113.70 119.82 1s78 s SER 12 Ca -0.07 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 1s78 s SER 12 Cb -0.08 -1.93 0.07 0.00 0.21 0.00 0.00 66.02 64.29 1s78 s SER 12 CO -0.07 0.28 0.69 0.00 0.41 0.00 0.00 173.24 174.55 1s78 s ALA 13 N -0.26 -1.76 0.50 1.44 0.00 -0.83 -4.92 121.76 115.92 1s78 s ALA 13 Ca 0.09 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 1s78 s ALA 13 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1s78 s ALA 13 CO 0.01 -0.36 0.74 -1.54 0.00 0.00 0.00 175.76 174.61 1s78 s SER 14 N -0.88 5.73 0.35 0.00 1.04 -1.26 -3.60 113.70 115.07 1s78 s SER 14 Ca -0.09 0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 1s78 s SER 14 Cb -0.01 -1.53 -0.11 0.00 0.10 0.00 0.00 66.02 64.46 1s78 s SER 14 CO 0.08 -0.83 1.48 0.52 0.98 0.00 0.00 173.24 175.47 1s78 n VAL 15 N -2.24 1.72 -0.05 5.02 0.31 -1.26 -2.02 118.33 119.81 1s78 n VAL 15 Ca 0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1s78 n VAL 15 Cb 0.58 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1s78 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s78 n GLY 16 N 0.98 1.55 3.81 2.92 0.00 -0.66 -4.91 105.19 108.89 1s78 n GLY 16 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1s78 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s78 s ASP 17 N -3.08 6.30 -0.06 1.61 -0.00 -0.86 -4.34 116.67 116.25 1s78 s ASP 17 Ca 0.00 1.77 -0.25 0.00 -0.00 0.00 0.00 52.55 54.08 1s78 s ASP 17 Cb 0.00 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 1s78 s ASP 17 CO 0.00 -0.81 0.76 -0.60 -0.00 0.00 0.00 175.17 174.52 1s78 s ARG 18 N -3.71 4.45 -0.06 8.23 3.52 -1.25 -0.71 118.95 129.43 1s78 s ARG 18 Ca 0.63 0.98 0.05 0.00 -0.13 0.00 0.00 55.73 57.26 1s78 s ARG 18 Cb -0.14 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1s78 s ARG 18 CO 0.27 0.03 -0.21 0.08 -0.81 0.00 0.00 175.30 174.66 1s78 s VAL 19 N 0.89 2.40 -0.03 7.11 1.01 -0.12 -5.00 120.40 126.67 1s78 s VAL 19 Ca 0.40 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1s78 s VAL 19 Cb -0.18 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1s78 s VAL 19 CO 0.20 0.57 -0.15 -0.89 0.00 0.00 0.00 175.10 174.82 1s78 s THR 20 N -0.24 1.24 -0.10 3.92 2.01 -1.26 -1.31 115.64 119.91 1s78 s THR 20 Ca -0.01 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1s78 s THR 20 Cb -0.13 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.35 1s78 s THR 20 CO 0.03 0.36 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.64 1s78 s ILE 21 N -0.10 0.78 0.29 1.82 1.01 0.15 -4.84 121.20 120.32 1s78 s ILE 21 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1s78 s ILE 21 Cb -0.09 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1s78 s ILE 21 CO 0.01 0.33 0.53 0.42 0.00 0.00 0.00 174.94 176.22 1s78 s THR 22 N 1.80 5.07 -0.20 2.92 -4.23 -0.98 -0.75 115.64 119.27 1s78 s THR 22 Ca 0.05 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1s78 s THR 22 Cb -0.12 -3.77 0.10 0.00 1.34 0.00 0.00 72.50 70.05 1s78 s THR 22 CO -0.07 -0.36 0.30 0.00 -0.54 0.00 0.00 174.62 173.95 1s78 s LYS 24 N 2.44 3.85 -0.01 0.00 2.20 -0.98 -2.05 119.74 125.19 1s78 s LYS 24 Ca 0.07 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 1s78 s LYS 24 Cb -0.15 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1s78 s LYS 24 CO -0.13 0.36 0.29 0.00 -0.36 0.00 0.00 175.35 175.51 1s78 s ALA 25 N 0.12 3.81 -2.00 3.13 0.00 0.24 -0.59 121.76 126.46 1s78 s ALA 25 Ca 0.05 -0.49 0.19 0.00 0.00 0.00 0.00 51.96 51.72 1s78 s ALA 25 Cb -0.12 -2.14 1.16 0.00 0.00 0.00 0.00 23.12 22.02 1s78 s ALA 25 CO 0.00 0.60 1.57 -1.13 0.00 0.00 0.00 175.76 176.80 1s78 n SER 26 N 1.44 0.00 -3.49 0.00 3.41 -0.54 -4.81 113.62 109.63 1s78 n SER 26 Ca -0.13 -0.73 -0.11 0.00 -0.26 0.00 0.00 58.87 57.64 1s78 n SER 26 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1s78 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1s78 s GLN 27 N -2.00 0.96 0.22 4.33 0.74 -1.26 -4.94 119.66 117.71 1s78 s GLN 27 Ca 0.29 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.19 1s78 s GLN 27 Cb 0.13 0.44 -0.10 0.00 1.10 0.00 0.00 33.01 34.59 1s78 s GLN 27 CO 0.22 -0.39 1.46 0.34 -0.55 0.00 0.00 175.29 176.38 1s78 s ASP 28 N -2.19 6.66 -0.19 6.67 2.15 -1.26 -4.67 116.67 123.83 1s78 s ASP 28 Ca 0.01 2.61 0.20 0.00 0.43 0.00 0.00 52.55 55.80 1s78 s ASP 28 Cb -0.01 -2.61 0.47 0.00 -0.30 0.00 0.00 42.92 40.47 1s78 s ASP 28 CO -0.06 -0.72 1.15 1.33 -0.17 0.00 0.00 175.17 176.70 1s78 n VAL 29 N 2.87 1.25 0.00 1.11 0.24 -0.58 -5.00 118.33 118.22 1s78 n VAL 29 Ca 0.09 -2.67 0.00 0.00 -2.04 0.00 0.00 64.34 59.72 1s78 n VAL 29 Cb 0.40 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1s78 n VAL 29 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1s78 n SER 30 N -0.38 0.00 -1.03 -1.34 3.41 -1.26 -0.14 113.62 112.88 1s78 n SER 30 Ca 0.14 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.83 1s78 n SER 30 Cb 0.91 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 65.13 1s78 n SER 30 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1s78 n ILE 31 N 0.00 2.15 -0.67 -1.33 -5.35 -1.26 -0.56 119.36 112.34 1s78 n ILE 31 Ca 0.00 -1.66 -0.12 0.00 -0.27 0.00 0.00 62.75 60.71 1s78 n ILE 31 Cb 0.00 -0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 37.68 1s78 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s78 n GLY 32 N -0.12 2.49 3.25 3.28 0.00 0.81 -2.78 105.19 112.12 1s78 n GLY 32 Ca 0.21 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1s78 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s78 s VAL 33 N 2.12 1.89 0.16 1.61 1.01 -1.26 -0.18 120.40 125.75 1s78 s VAL 33 Ca 0.42 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.52 1s78 s VAL 33 Cb 0.18 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1s78 s VAL 33 CO -0.01 0.53 -0.24 0.00 0.00 0.00 0.00 175.10 175.38 1s78 s ALA 34 N -0.29 2.41 0.04 5.51 0.00 -0.02 -0.42 121.76 128.98 1s78 s ALA 34 Ca 0.02 -1.55 0.09 0.00 0.00 0.00 0.00 51.96 50.51 1s78 s ALA 34 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1s78 s ALA 34 CO 0.02 0.45 -0.26 -1.58 0.00 0.00 0.00 175.76 174.39 1s78 s TRP 35 N -1.46 2.35 0.04 0.00 0.52 -0.50 -0.70 118.94 119.19 1s78 s TRP 35 Ca 0.17 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.94 1s78 s TRP 35 Cb -0.09 -1.41 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 1s78 s TRP 35 CO 0.08 0.13 -0.14 0.71 0.02 0.00 0.00 176.95 177.75 1s78 s TYR 36 N -0.80 1.21 -0.11 -1.98 2.02 0.24 -0.78 117.35 117.14 1s78 s TYR 36 Ca 0.12 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1s78 s TYR 36 Cb -0.10 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1s78 s TYR 36 CO 0.02 0.04 0.01 -1.14 -1.57 0.00 0.00 175.55 172.91 1s78 s GLN 37 N -1.24 3.27 -0.07 -0.62 0.74 -0.07 -0.14 119.66 121.53 1s78 s GLN 37 Ca 0.01 -0.40 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 1s78 s GLN 37 Cb -0.08 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.16 1s78 s GLN 37 CO 0.01 0.57 0.02 -1.14 -0.55 0.00 0.00 175.29 174.20 1s78 s GLN 38 N -0.50 0.44 0.43 1.67 0.74 0.98 -0.34 119.66 123.09 1s78 s GLN 38 Ca 0.09 0.16 -0.04 0.00 0.05 0.00 0.00 55.36 55.62 1s78 s GLN 38 Cb -0.12 -0.90 -0.04 0.00 1.10 0.00 0.00 33.01 33.05 1s78 s GLN 38 CO 0.02 -0.32 0.71 0.15 -0.55 0.00 0.00 175.29 175.30 1s78 s LYS 39 N 2.02 3.53 0.20 1.67 1.02 -1.26 -1.10 119.74 125.82 1s78 s LYS 39 Ca 0.05 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 1s78 s LYS 39 Cb -0.12 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1s78 s LYS 39 CO -0.05 -0.08 1.42 -2.14 -0.92 0.00 0.00 175.35 173.57 1s78 s PRO 40 N -4.56 4.30 0.00 -1.68 0.02 -1.26 -2.46 135.00 129.36 1s78 s PRO 40 Ca 0.45 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1s78 s PRO 40 Cb -0.10 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1s78 s PRO 40 CO 0.42 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 1s78 n GLY 41 N 2.66 0.66 2.93 0.52 0.00 -1.26 -5.02 105.19 105.69 1s78 n GLY 41 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1s78 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s78 n LYS 42 N -2.66 0.99 -3.40 1.61 4.76 -1.03 -5.14 118.16 113.27 1s78 n LYS 42 Ca 0.00 -2.92 -0.27 0.00 -2.87 0.00 0.00 58.31 52.26 1s78 n LYS 42 Cb 0.00 0.70 -0.02 0.00 -1.84 0.00 0.00 35.03 33.86 1s78 n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s78 s ALA 43 N -2.68 3.68 0.71 7.82 0.00 -1.26 -4.86 121.76 125.18 1s78 s ALA 43 Ca 0.05 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1s78 s ALA 43 Cb -0.00 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1s78 s ALA 43 CO 0.03 0.18 1.15 -2.14 0.00 0.00 0.00 175.76 174.97 1s78 s PRO 44 N -3.79 2.37 -0.01 0.00 0.02 -1.26 -4.60 135.00 127.73 1s78 s PRO 44 Ca 0.42 1.52 0.06 0.00 0.02 0.00 0.00 61.00 63.02 1s78 s PRO 44 Cb -0.10 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1s78 s PRO 44 CO 0.32 -1.61 -0.20 0.15 -0.33 0.00 0.00 177.00 175.34 1s78 s LYS 45 N -4.14 1.57 -0.02 5.54 3.01 0.54 -4.96 119.74 121.27 1s78 s LYS 45 Ca 0.69 -0.71 -0.26 0.00 -1.01 0.00 0.00 55.97 54.68 1s78 s LYS 45 Cb -0.24 -1.52 -0.04 0.00 -1.01 0.00 0.00 37.83 35.02 1s78 s LYS 45 CO 0.45 0.42 0.79 -1.17 0.51 0.00 0.00 175.35 176.35 1s78 s LEU 46 N -0.51 4.37 -0.01 3.17 2.96 -1.26 -0.89 118.68 126.50 1s78 s LEU 46 Ca 0.07 1.39 -0.05 0.00 -0.22 0.00 0.00 54.13 55.32 1s78 s LEU 46 Cb -0.08 -3.26 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1s78 s LEU 46 CO -0.01 -0.12 -0.11 0.18 -1.32 0.00 0.00 176.35 174.97 1s78 n LEU 47 N 3.56 1.22 -4.24 -0.68 4.77 0.04 -4.74 117.00 116.92 1s78 n LEU 47 Ca 0.00 0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 1s78 n LEU 47 Cb 0.51 -0.42 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 1s78 n LEU 47 CO 0.48 -0.44 -0.53 -0.63 -1.33 0.00 0.00 177.39 174.94 1s78 s ILE 48 N -2.26 1.70 0.25 -0.08 -1.09 -1.11 -1.18 121.20 117.43 1s78 s ILE 48 Ca -0.10 -0.93 0.07 0.00 -2.23 0.00 0.00 60.65 57.45 1s78 s ILE 48 Cb 0.02 -1.41 -0.05 0.00 -1.58 0.00 0.00 42.46 39.43 1s78 s ILE 48 CO 0.14 0.47 -0.08 -0.72 -1.23 0.00 0.00 174.94 173.52 1s78 s TYR 49 N -0.52 1.82 -1.37 3.97 1.13 0.27 -1.41 117.35 121.24 1s78 s TYR 49 Ca 0.08 -0.69 -0.14 0.00 -1.41 0.00 0.00 57.07 54.91 1s78 s TYR 49 Cb -0.08 -0.98 0.13 0.00 -1.10 0.00 0.00 41.96 39.93 1s78 s TYR 49 CO -0.01 0.26 0.53 0.43 -2.51 0.00 0.00 175.55 174.26 1s78 n SER 50 N -0.49 -2.77 0.00 -0.18 7.64 -1.08 -1.22 113.62 115.51 1s78 n SER 50 Ca -0.06 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1s78 n SER 50 Cb 0.62 -2.33 0.00 0.00 -1.01 0.00 0.00 64.21 61.49 1s78 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s78 n ALA 51 N -3.74 0.00 0.00 -0.43 0.00 0.44 -4.27 120.51 112.51 1s78 n ALA 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1s78 n ALA 51 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1s78 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s78 n SER 52 N 0.34 1.48 -4.68 0.00 3.41 -1.13 -3.06 113.62 109.98 1s78 n SER 52 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1s78 n SER 52 Cb 0.00 0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 1s78 n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s78 s TYR 53 N -0.93 3.45 0.23 7.33 4.12 -0.36 -4.16 117.35 127.03 1s78 s TYR 53 Ca 0.00 1.26 -0.30 0.00 0.02 0.00 0.00 57.07 58.06 1s78 s TYR 53 Cb 0.00 -2.99 -0.09 0.00 -1.52 0.00 0.00 41.96 37.37 1s78 s TYR 53 CO 0.00 -0.19 1.16 0.50 0.02 0.00 0.00 175.55 177.04 1s78 s ARG 54 N 1.93 4.54 0.62 -0.62 3.52 -1.26 -0.56 118.95 127.12 1s78 s ARG 54 Ca 0.38 1.86 -0.13 0.00 -0.13 0.00 0.00 55.73 57.71 1s78 s ARG 54 Cb -0.17 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1s78 s ARG 54 CO 0.14 0.03 1.04 -0.47 -0.81 0.00 0.00 175.30 175.23 1s78 s TYR 55 N -0.55 3.20 -0.07 5.12 5.04 -0.32 -4.88 117.35 124.89 1s78 s TYR 55 Ca 0.49 1.44 -0.40 0.00 -2.44 0.00 0.00 57.07 56.16 1s78 s TYR 55 Cb -0.33 -2.89 -0.18 0.00 0.35 0.00 0.00 41.96 38.91 1s78 s TYR 55 CO 0.39 -0.99 1.30 2.41 -1.34 0.00 0.00 175.55 177.33 1s78 n THR 56 N -2.49 0.03 -0.42 4.34 -1.04 -1.26 -2.06 114.28 111.39 1s78 n THR 56 Ca 0.08 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1s78 n THR 56 Cb 0.53 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1s78 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s78 n GLY 57 N 2.46 1.23 3.75 3.41 0.00 -1.26 -4.98 105.19 109.81 1s78 n GLY 57 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1s78 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s78 s VAL 58 N -2.57 2.04 0.57 1.61 1.01 -0.88 -4.94 120.40 117.24 1s78 s VAL 58 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 1s78 s VAL 58 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1s78 s VAL 58 CO 0.00 0.00 1.12 -2.65 0.00 0.00 0.00 175.10 173.57 1s78 n PRO 59 N 2.36 1.20 0.28 2.72 -0.02 -1.26 -4.89 135.00 135.39 1s78 n PRO 59 Ca 0.09 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 62.20 1s78 n PRO 59 Cb 0.37 -2.31 0.82 0.00 -0.02 0.00 0.00 33.50 32.36 1s78 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s78 h SER 60 N 0.89 0.00 0.17 2.55 4.64 -2.00 -2.79 113.55 117.00 1s78 h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1s78 h SER 60 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1s78 h SER 60 CO 0.54 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.58 1s78 h ARG 61 N 0.00 0.00 -5.68 4.77 0.11 -1.93 -3.41 114.38 108.23 1s78 h ARG 61 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 1s78 h ARG 61 Cb 0.34 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.33 1s78 h ARG 61 CO 0.00 0.00 0.25 -0.06 0.10 0.00 0.00 179.97 180.26 1s78 s PHE 62 N -3.99 3.34 -0.09 4.08 0.08 -1.06 -1.68 117.98 118.66 1s78 s PHE 62 Ca -0.04 0.99 0.01 0.00 0.12 0.00 0.00 56.93 58.02 1s78 s PHE 62 Cb 0.12 -2.90 0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1s78 s PHE 62 CO 0.40 -0.28 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.58 1s78 s SER 63 N 1.31 2.06 -0.23 1.36 1.04 -0.58 -4.92 113.70 113.73 1s78 s SER 63 Ca 0.31 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.26 1s78 s SER 63 Cb -0.16 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 1s78 s SER 63 CO 0.09 -0.02 0.33 -0.83 0.98 0.00 0.00 173.24 173.79 1s78 s GLY 64 N 1.06 2.00 0.41 7.32 0.00 -1.26 -1.45 107.32 115.40 1s78 s GLY 64 Ca -0.07 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.01 1s78 s GLY 64 CO -0.01 0.76 0.11 -0.45 0.00 0.00 0.00 173.10 173.50 1s78 s SER 65 N 1.24 4.19 0.00 1.64 0.15 0.45 -3.97 113.70 117.40 1s78 s SER 65 Ca 0.15 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.58 1s78 s SER 65 Cb -0.15 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1s78 s SER 65 CO 0.08 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1s78 n GLY 66 N -1.13 3.03 3.40 9.45 0.00 -1.26 -2.13 105.19 116.55 1s78 n GLY 66 Ca -0.03 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.05 1s78 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s78 s SER 67 N 0.00 -0.07 0.00 1.61 0.15 -1.18 -4.81 113.70 109.40 1s78 s SER 67 Ca 0.00 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1s78 s SER 67 Cb 0.00 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1s78 s SER 67 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1s78 n GLY 68 N 3.86 1.27 0.00 9.45 0.00 0.27 -4.52 105.19 115.52 1s78 n GLY 68 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1s78 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s78 n THR 69 N 0.00 0.00 -3.72 2.61 -2.24 -1.26 -1.53 114.28 108.14 1s78 n THR 69 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1s78 n THR 69 Cb 0.00 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 1s78 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s78 s ASP 70 N -2.47 6.20 0.06 3.42 -0.00 -1.26 -0.59 116.67 122.03 1s78 s ASP 70 Ca 0.00 0.22 0.01 0.00 -0.00 0.00 0.00 52.55 52.78 1s78 s ASP 70 Cb 0.00 -2.09 -0.03 0.00 -0.00 0.00 0.00 42.92 40.79 1s78 s ASP 70 CO 0.00 0.17 -0.06 -0.36 -0.00 0.00 0.00 175.17 174.92 1s78 s PHE 71 N 0.44 0.65 -0.05 4.23 0.40 -0.87 -3.12 117.98 119.66 1s78 s PHE 71 Ca 0.08 -0.77 -0.03 0.00 -0.60 0.00 0.00 56.93 55.61 1s78 s PHE 71 Cb -0.11 -0.40 0.03 0.00 0.51 0.00 0.00 43.02 43.04 1s78 s PHE 71 CO -0.01 -0.19 0.12 0.99 0.70 0.00 0.00 175.22 176.83 1s78 s THR 72 N -2.72 -0.03 -0.12 0.64 2.01 -0.91 -1.38 115.64 113.13 1s78 s THR 72 Ca 0.00 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1s78 s THR 72 Cb -0.01 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1s78 s THR 72 CO -0.04 0.05 0.01 -0.22 -0.69 0.00 0.00 174.62 173.73 1s78 s LEU 73 N 0.76 3.58 -0.16 4.42 2.96 0.07 -0.41 118.68 129.90 1s78 s LEU 73 Ca -0.06 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1s78 s LEU 73 Cb -0.08 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 44.82 1s78 s LEU 73 CO -0.03 0.30 0.01 -0.89 -1.32 0.00 0.00 176.35 174.42 1s78 s THR 74 N -0.42 0.61 -0.55 3.68 2.01 -0.53 -0.67 115.64 119.78 1s78 s THR 74 Ca 0.08 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 1s78 s THR 74 Cb -0.12 -0.97 0.08 0.00 0.01 0.00 0.00 72.50 71.50 1s78 s THR 74 CO 0.02 -0.03 0.67 -0.63 -0.69 0.00 0.00 174.62 173.96 1s78 s ILE 75 N 1.84 4.84 0.37 1.82 1.01 -0.42 -1.53 121.20 129.13 1s78 s ILE 75 Ca 0.01 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1s78 s ILE 75 Cb -0.16 -4.41 0.30 0.00 0.01 0.00 0.00 42.46 38.20 1s78 s ILE 75 CO -0.07 -0.99 1.96 0.77 0.00 0.00 0.00 174.94 176.61 1s78 h SER 76 N 9.10 0.63 -1.64 3.58 4.64 -1.59 -0.30 113.55 127.98 1s78 h SER 76 Ca -0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1s78 h SER 76 Cb 1.09 -0.13 -0.27 0.00 -0.31 0.00 0.00 62.40 62.77 1s78 h SER 76 CO 1.04 0.41 -0.46 -0.55 -0.87 0.00 0.00 176.83 176.40 1s78 s SER 77 N -6.21 -0.08 0.33 4.97 0.15 -1.25 -3.77 113.70 107.83 1s78 s SER 77 Ca -0.10 0.12 -0.28 0.00 0.70 0.00 0.00 55.95 56.40 1s78 s SER 77 Cb 0.19 1.33 -0.13 0.00 -1.71 0.00 0.00 66.02 65.71 1s78 s SER 77 CO 0.77 -0.31 1.24 -0.11 1.20 0.00 0.00 173.24 176.03 1s78 n LEU 78 N 5.37 3.23 -4.59 3.45 7.94 0.11 -4.74 117.00 127.77 1s78 n LEU 78 Ca -0.01 1.20 -0.30 0.00 -1.11 0.00 0.00 56.01 55.79 1s78 n LEU 78 Cb 0.50 -1.45 -0.10 0.00 0.53 0.00 0.00 43.42 42.91 1s78 n LEU 78 CO 0.02 -0.65 -0.40 -1.58 -1.11 0.00 0.00 177.39 173.66 1s78 s GLN 79 N -1.81 2.26 0.31 1.96 2.00 -1.26 -1.65 119.66 121.46 1s78 s GLN 79 Ca 0.56 -0.94 0.07 0.00 -2.00 0.00 0.00 55.36 53.05 1s78 s GLN 79 Cb -0.59 -2.37 0.81 0.00 0.80 0.00 0.00 33.01 31.66 1s78 s GLN 79 CO 0.62 0.53 1.71 -1.35 -0.50 0.00 0.00 175.29 176.30 1s78 h PRO 80 N 3.78 0.47 0.00 1.67 0.11 -1.99 0.26 132.00 136.30 1s78 h PRO 80 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1s78 h PRO 80 Cb 1.17 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1s78 h PRO 80 CO 0.53 0.31 -0.05 1.05 -0.21 0.00 0.00 178.00 179.64 1s78 h GLU 81 N 0.49 0.00 0.00 1.05 4.11 -2.03 -3.24 114.58 114.96 1s78 h GLU 81 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 1s78 h GLU 81 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1s78 h GLU 81 CO -0.50 0.05 0.00 -0.25 0.07 0.00 0.00 179.01 178.37 1s78 n ASP 82 N -3.74 0.35 -4.56 3.06 8.00 0.92 -4.70 116.55 115.87 1s78 n ASP 82 Ca -0.03 0.58 -0.39 0.00 0.71 0.00 0.00 54.79 55.66 1s78 n ASP 82 Cb 0.14 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 1s78 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1s78 s PHE 83 N -3.15 1.50 0.04 1.24 0.40 -1.22 -4.82 117.98 111.97 1s78 s PHE 83 Ca 0.06 0.96 -0.10 0.00 -0.60 0.00 0.00 56.93 57.26 1s78 s PHE 83 Cb 0.10 -3.95 0.03 0.00 0.51 0.00 0.00 43.02 39.72 1s78 s PHE 83 CO 0.36 -2.59 0.46 0.00 0.70 0.00 0.00 175.22 174.14 1s78 n ALA 84 N 13.11 -1.24 -2.74 5.36 0.00 -1.11 -4.92 120.51 128.96 1s78 n ALA 84 Ca 0.26 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 1s78 n ALA 84 Cb 0.51 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 1s78 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s78 s THR 85 N -2.25 5.30 -0.14 0.00 2.01 -0.26 -0.44 115.64 119.86 1s78 s THR 85 Ca 0.10 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1s78 s THR 85 Cb -0.01 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1s78 s THR 85 CO 0.01 0.44 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.90 1s78 s TYR 86 N -1.23 2.31 -0.13 4.92 1.51 0.22 -0.01 117.35 124.94 1s78 s TYR 86 Ca 0.25 -1.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 1s78 s TYR 86 Cb -0.13 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1s78 s TYR 86 CO 0.14 -0.64 0.00 0.71 -1.11 0.00 0.00 175.55 174.65 1s78 s TYR 87 N 1.24 3.14 0.15 2.71 2.02 0.80 -1.65 117.35 125.76 1s78 s TYR 87 Ca 0.01 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1s78 s TYR 87 Cb -0.14 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1s78 s TYR 87 CO -0.08 0.25 0.22 0.00 -1.57 0.00 0.00 175.55 174.37 1s78 s GLN 89 N -3.14 0.26 -0.17 0.00 0.74 0.12 0.11 119.66 117.58 1s78 s GLN 89 Ca 0.33 0.39 -0.08 0.00 0.05 0.00 0.00 55.36 56.05 1s78 s GLN 89 Cb -0.11 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1s78 s GLN 89 CO 0.26 -0.07 0.10 1.14 -0.55 0.00 0.00 175.29 176.17 1s78 s GLN 90 N 0.45 3.92 -0.08 1.67 1.03 -0.63 -0.84 119.66 125.17 1s78 s GLN 90 Ca -0.03 -0.26 0.11 0.00 0.04 0.00 0.00 55.36 55.23 1s78 s GLN 90 Cb -0.04 -3.27 0.17 0.00 0.03 0.00 0.00 33.01 29.91 1s78 s GLN 90 CO -0.02 0.39 1.07 2.48 -2.54 0.00 0.00 175.29 176.67 1s78 n TYR 91 N 3.18 0.00 -0.03 9.60 0.18 0.75 -2.89 117.16 127.95 1s78 n TYR 91 Ca -0.17 -0.74 -0.15 0.00 1.88 0.00 0.00 57.90 58.72 1s78 n TYR 91 Cb 0.53 -0.11 -0.08 0.00 -0.38 0.00 0.00 39.34 39.30 1s78 n TYR 91 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1s78 h TYR 92 N 0.00 0.63 -3.69 -3.48 3.20 -1.86 -3.46 116.97 108.32 1s78 h TYR 92 Ca 0.00 -0.27 -0.46 0.00 3.14 0.00 0.00 58.73 61.15 1s78 h TYR 92 Cb 0.90 -0.10 -0.32 0.00 1.54 0.00 0.00 36.73 38.74 1s78 h TYR 92 CO 0.01 1.02 -0.80 0.42 -1.64 0.00 0.00 178.16 177.18 1s78 s ILE 93 N -3.75 0.89 0.32 1.81 -1.09 -1.26 -5.09 121.20 113.03 1s78 s ILE 93 Ca -0.13 -0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 1s78 s ILE 93 Cb 0.05 -0.80 -0.10 0.00 -1.58 0.00 0.00 42.46 40.03 1s78 s ILE 93 CO 0.81 0.28 1.36 -0.47 -1.23 0.00 0.00 174.94 175.69 1s78 s TYR 94 N 0.37 2.97 0.13 3.97 6.14 -1.26 -3.54 117.35 126.13 1s78 s TYR 94 Ca -0.07 1.30 -0.19 0.00 0.64 0.00 0.00 57.07 58.76 1s78 s TYR 94 Cb -0.11 -3.76 -0.07 0.00 0.42 0.00 0.00 41.96 38.44 1s78 s TYR 94 CO 0.01 -2.19 0.61 -1.25 0.64 0.00 0.00 175.55 173.38 1s78 s PRO 95 N -1.57 4.19 -0.02 4.97 0.05 -1.26 -4.97 135.00 136.40 1s78 s PRO 95 Ca 0.51 0.74 -0.30 0.00 0.05 0.00 0.00 61.00 62.01 1s78 s PRO 95 Cb -0.41 -3.10 -0.05 0.00 0.05 0.00 0.00 34.50 30.99 1s78 s PRO 95 CO 0.53 0.55 1.41 0.71 0.05 0.00 0.00 177.00 180.25 1s78 s TYR 96 N -1.28 2.77 0.10 0.56 1.51 -1.23 -4.74 117.35 115.04 1s78 s TYR 96 Ca 0.34 0.78 0.08 0.00 -1.01 0.00 0.00 57.07 57.26 1s78 s TYR 96 Cb -0.18 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 37.96 1s78 s TYR 96 CO 0.20 -2.51 -0.17 0.95 -1.11 0.00 0.00 175.55 172.91 1s78 s THR 97 N 2.64 2.92 -0.01 -0.71 -4.23 -1.14 -5.00 115.64 110.11 1s78 s THR 97 Ca 0.64 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1s78 s THR 97 Cb -0.31 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1s78 s THR 97 CO 0.26 0.16 0.01 -0.36 -0.54 0.00 0.00 174.62 174.15 1s78 s PHE 98 N -1.10 3.12 1.23 3.99 0.40 -1.26 -1.61 117.98 122.75 1s78 s PHE 98 Ca 0.18 0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.46 1s78 s PHE 98 Cb -0.11 -1.70 0.31 0.00 0.51 0.00 0.00 43.02 42.03 1s78 s PHE 98 CO 0.09 0.48 1.01 0.20 0.70 0.00 0.00 175.22 177.70 1s78 s GLY 99 N -1.49 1.51 0.00 4.36 0.00 0.31 -4.64 107.32 107.37 1s78 s GLY 99 Ca 0.19 -0.40 0.29 0.00 0.00 0.00 0.00 44.72 44.80 1s78 s GLY 99 CO 0.10 0.41 1.89 0.61 0.00 0.00 0.00 173.10 176.10 1s78 n GLN 100 N -5.08 1.30 0.00 2.90 0.00 -1.25 -4.75 117.38 110.50 1s78 n GLN 100 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 57.00 56.49 1s78 n GLN 100 Cb 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1s78 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s78 n GLY 101 N 1.15 -2.13 2.94 2.61 0.00 -1.26 -5.00 105.19 103.49 1s78 n GLY 101 Ca 0.19 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 1s78 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s78 s THR 102 N -3.54 1.19 -0.39 2.61 2.01 -0.66 -4.67 115.64 112.19 1s78 s THR 102 Ca 0.00 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 1s78 s THR 102 Cb 0.00 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1s78 s THR 102 CO 0.00 0.39 0.63 -0.75 -0.69 0.00 0.00 174.62 174.21 1s78 s LYS 103 N 1.61 3.51 -0.17 4.92 2.20 -0.36 -0.61 119.74 130.84 1s78 s LYS 103 Ca 0.04 -0.14 -0.22 0.00 -0.36 0.00 0.00 55.97 55.29 1s78 s LYS 103 Cb -0.13 -3.87 -0.02 0.00 -1.51 0.00 0.00 37.83 32.30 1s78 s LYS 103 CO -0.09 -0.85 0.69 0.08 -0.36 0.00 0.00 175.35 174.82 1s78 s VAL 104 N 2.74 4.99 0.01 4.02 1.01 0.42 -1.64 120.40 131.95 1s78 s VAL 104 Ca 0.23 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.60 1s78 s VAL 104 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1s78 s VAL 104 CO 0.17 0.11 -0.18 -0.70 0.00 0.00 0.00 175.10 174.50 1s78 s GLU 105 N 1.80 1.33 0.10 2.72 -6.30 -0.08 -2.74 118.70 115.54 1s78 s GLU 105 Ca 0.32 -0.72 -0.31 0.00 -2.50 0.00 0.00 54.97 51.76 1s78 s GLU 105 Cb -0.16 -1.34 -0.08 0.00 0.00 0.00 0.00 34.13 32.55 1s78 s GLU 105 CO 0.12 0.36 1.48 -1.50 0.02 0.00 0.00 175.26 175.74 1s78 s ILE 106 N -0.57 3.17 -0.09 -3.70 2.07 -1.26 -1.97 121.20 118.85 1s78 s ILE 106 Ca 0.06 0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 59.99 1s78 s ILE 106 Cb -0.07 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 38.98 1s78 s ILE 106 CO 0.00 0.04 0.18 -0.75 -1.91 0.00 0.00 174.94 172.50 1s78 s LYS 107 N 1.63 3.50 0.17 3.50 2.20 -1.24 -4.85 119.74 124.65 1s78 s LYS 107 Ca 0.67 -0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1s78 s LYS 107 Cb -0.38 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1s78 s LYS 107 CO 0.30 0.75 0.26 2.89 -0.36 0.00 0.00 175.35 179.19 1s78 n ARG 108 N 1.82 0.37 -2.76 4.03 1.85 -1.26 -4.78 116.66 115.93 1s78 n ARG 108 Ca -0.18 -1.26 -0.35 0.00 -1.00 0.00 0.00 57.85 55.05 1s78 n ARG 108 Cb 0.54 1.27 -0.06 0.00 -1.05 0.00 0.00 32.46 33.16 1s78 n ARG 108 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1s78 s THR 109 N -2.61 4.21 -0.18 8.89 2.01 -1.26 -4.97 115.64 121.73 1s78 s THR 109 Ca 0.12 1.63 -0.38 0.00 0.31 0.00 0.00 61.69 63.37 1s78 s THR 109 Cb -0.01 -3.80 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 1s78 s THR 109 CO 0.09 -0.06 1.72 1.33 -0.69 0.00 0.00 174.62 177.01 1s78 n VAL 110 N -0.00 0.31 -5.15 3.82 0.24 -1.26 -4.74 118.33 111.55 1s78 n VAL 110 Ca 0.04 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 61.97 1s78 n VAL 110 Cb 0.52 -1.32 -0.16 0.00 -1.47 0.00 0.00 33.84 31.41 1s78 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s78 s ALA 111 N 3.18 2.26 0.12 2.33 0.00 -0.09 -4.92 121.76 124.64 1s78 s ALA 111 Ca 0.95 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1s78 s ALA 111 Cb -0.97 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 1s78 s ALA 111 CO 0.60 0.33 1.14 0.00 0.00 0.00 0.00 175.76 177.83 1s78 s ALA 112 N 0.16 3.37 0.53 0.00 0.00 -1.26 -2.22 121.76 122.34 1s78 s ALA 112 Ca -0.12 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 1s78 s ALA 112 Cb -0.16 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1s78 s ALA 112 CO 0.07 -0.32 1.05 -1.25 0.00 0.00 0.00 175.76 175.30 1s78 s PRO 113 N 0.34 3.61 -0.95 0.00 0.04 -1.26 -4.57 135.00 132.21 1s78 s PRO 113 Ca 0.54 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 1s78 s PRO 113 Cb -0.29 -2.07 0.28 0.00 0.04 0.00 0.00 34.50 32.46 1s78 s PRO 113 CO 0.32 -0.59 1.18 0.43 0.04 0.00 0.00 177.00 178.39 1s78 n SER 114 N -1.34 5.41 -4.52 6.66 7.64 -0.47 -4.88 113.62 122.10 1s78 n SER 114 Ca 0.09 -3.36 -0.54 0.00 1.01 0.00 0.00 58.87 56.07 1s78 n SER 114 Cb 0.52 -1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 62.57 1s78 n SER 114 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1s78 n VAL 115 N 1.41 0.38 -4.04 0.44 0.24 -1.26 -4.14 118.33 111.37 1s78 n VAL 115 Ca 0.26 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.34 62.39 1s78 n VAL 115 Cb 0.36 -0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 32.30 1s78 n VAL 115 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1s78 s PHE 116 N -0.04 0.40 -0.01 6.34 0.08 -0.03 -4.98 117.98 119.75 1s78 s PHE 116 Ca 0.83 -0.83 0.02 0.00 0.12 0.00 0.00 56.93 57.07 1s78 s PHE 116 Cb -1.09 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1s78 s PHE 116 CO 0.54 -0.30 -0.06 -1.50 -0.10 0.00 0.00 175.22 173.80 1s78 s ILE 117 N -2.89 0.48 -0.18 0.64 1.10 -1.26 -0.25 121.20 118.83 1s78 s ILE 117 Ca -0.03 -0.22 0.01 0.00 -0.51 0.00 0.00 60.65 59.90 1s78 s ILE 117 Cb 0.01 -0.43 0.03 0.00 0.15 0.00 0.00 42.46 42.22 1s78 s ILE 117 CO -0.06 0.15 -0.12 -0.36 -2.11 0.00 0.00 174.94 172.45 1s78 s PHE 118 N 0.12 2.32 0.89 3.50 0.08 0.03 -5.01 117.98 119.90 1s78 s PHE 118 Ca -0.01 -1.45 -0.11 0.00 0.12 0.00 0.00 56.93 55.48 1s78 s PHE 118 Cb -0.05 -1.62 0.13 0.00 -0.57 0.00 0.00 43.02 40.90 1s78 s PHE 118 CO -0.00 -0.72 1.10 -1.25 -0.10 0.00 0.00 175.22 174.26 1s78 s PRO 119 N 1.43 1.30 0.75 0.24 0.04 -1.26 -2.56 135.00 134.94 1s78 s PRO 119 Ca 0.01 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1s78 s PRO 119 Cb -0.15 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.65 1s78 s PRO 119 CO -0.09 -2.32 1.10 -2.14 0.04 0.00 0.00 177.00 173.59 1s78 s PRO 120 N -4.78 2.35 0.51 0.56 0.02 -1.16 -4.87 135.00 127.64 1s78 s PRO 120 Ca 0.64 1.27 -0.07 0.00 0.02 0.00 0.00 61.00 62.86 1s78 s PRO 120 Cb -0.20 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1s78 s PRO 120 CO 0.58 -1.58 0.85 0.45 -0.33 0.00 0.00 177.00 176.96 1s78 s SER 121 N -3.08 6.26 0.26 2.53 0.15 -1.26 -5.01 113.70 113.56 1s78 s SER 121 Ca 0.63 1.06 0.01 0.00 0.70 0.00 0.00 55.95 58.36 1s78 s SER 121 Cb -0.19 -2.31 0.36 0.00 -1.71 0.00 0.00 66.02 62.17 1s78 s SER 121 CO 0.52 -0.65 1.69 0.44 1.20 0.00 0.00 173.24 176.44 1s78 h ASP 122 N 0.12 0.52 0.37 5.45 5.19 -1.98 -2.52 116.42 123.57 1s78 h ASP 122 Ca -0.46 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 55.74 1s78 h ASP 122 Cb 1.20 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 1s78 h ASP 122 CO 0.62 0.79 -0.20 -0.33 -3.12 0.00 0.00 179.24 176.99 1s78 h GLU 123 N 0.45 -0.52 -0.23 3.56 5.08 -2.01 -2.59 114.58 118.31 1s78 h GLU 123 Ca 0.06 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1s78 h GLU 123 Cb 0.72 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1s78 h GLU 123 CO 0.06 -0.35 0.17 0.37 -1.00 0.00 0.00 179.01 178.26 1s78 h GLN 124 N -0.54 0.00 0.00 2.33 4.15 -1.88 -2.76 115.11 116.41 1s78 h GLN 124 Ca -0.04 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1s78 h GLN 124 Cb 0.43 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1s78 h GLN 124 CO 0.06 0.00 -0.27 -0.07 -1.93 0.00 0.00 178.83 176.62 1s78 h LEU 125 N 0.00 0.00 -0.82 -2.39 3.38 -1.04 -3.00 115.31 111.44 1s78 h LEU 125 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1s78 h LEU 125 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1s78 h LEU 125 CO -0.00 0.27 -0.00 0.29 0.09 0.00 0.00 178.44 179.09 1s78 n LYS 126 N -3.44 1.56 -0.37 1.13 5.02 -1.04 -4.00 118.16 117.02 1s78 n LYS 126 Ca 0.00 -0.82 0.08 0.00 -2.02 0.00 0.00 58.31 55.55 1s78 n LYS 126 Cb 0.45 -1.48 0.24 0.00 -0.02 0.00 0.00 35.03 34.22 1s78 n LYS 126 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1s78 n SER 127 N -0.01 3.72 0.00 4.39 7.64 -1.13 -4.98 113.62 123.25 1s78 n SER 127 Ca 0.20 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1s78 n SER 127 Cb 0.32 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1s78 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s78 n GLY 128 N 0.43 2.99 3.04 0.23 0.00 -1.26 -5.03 105.19 105.59 1s78 n GLY 128 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 1s78 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s78 s THR 129 N -2.53 0.70 -0.04 2.61 -4.23 -1.26 0.93 115.64 111.83 1s78 s THR 129 Ca 0.00 -0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.02 1s78 s THR 129 Cb 0.00 -0.62 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 1s78 s THR 129 CO 0.00 0.08 -0.21 0.00 -0.54 0.00 0.00 174.62 173.94 1s78 s ALA 130 N -0.46 1.81 -0.08 3.99 0.00 0.19 -4.29 121.76 122.92 1s78 s ALA 130 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1s78 s ALA 130 Cb -0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1s78 s ALA 130 CO 0.00 0.38 -0.09 -1.12 0.00 0.00 0.00 175.76 174.93 1s78 s SER 131 N -0.23 4.43 -0.24 0.00 0.01 -1.26 -1.60 113.70 114.80 1s78 s SER 131 Ca 0.01 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1s78 s SER 131 Cb -0.11 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 64.99 1s78 s SER 131 CO 0.01 0.32 -0.09 -0.69 0.41 0.00 0.00 173.24 173.20 1s78 s VAL 132 N -0.58 2.54 -0.23 3.43 1.01 -0.50 -2.97 120.40 123.11 1s78 s VAL 132 Ca 0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 1s78 s VAL 132 Cb -0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1s78 s VAL 132 CO 0.02 0.16 0.08 -0.69 0.00 0.00 0.00 175.10 174.67 1s78 s VAL 133 N 1.25 4.58 -0.24 2.92 1.01 -1.06 -0.27 120.40 128.59 1s78 s VAL 133 Ca -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1s78 s VAL 133 Cb -0.17 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1s78 s VAL 133 CO -0.06 0.38 -0.00 0.00 0.00 0.00 0.00 175.10 175.41 1s78 s LEU 135 N 1.49 4.78 -0.79 0.00 2.96 0.65 -1.27 118.68 126.51 1s78 s LEU 135 Ca 0.05 -0.66 -0.16 0.00 -0.22 0.00 0.00 54.13 53.14 1s78 s LEU 135 Cb -0.15 -2.14 0.18 0.00 0.50 0.00 0.00 46.19 44.58 1s78 s LEU 135 CO -0.01 -0.34 0.80 -0.76 -1.32 0.00 0.00 176.35 174.72 1s78 s LEU 136 N 1.69 6.25 -0.21 -0.68 1.02 0.16 -0.85 118.68 126.07 1s78 s LEU 136 Ca 0.05 -2.35 -0.14 0.00 0.02 0.00 0.00 54.13 51.71 1s78 s LEU 136 Cb -0.18 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.73 1s78 s LEU 136 CO 0.10 -0.75 0.30 0.21 0.02 0.00 0.00 176.35 176.23 1s78 s ASN 137 N 2.73 6.33 -0.43 2.29 2.47 -1.26 0.50 114.94 127.57 1s78 s ASN 137 Ca 0.18 0.37 -0.17 0.00 0.42 0.00 0.00 52.86 53.67 1s78 s ASN 137 Cb -0.13 -2.18 0.02 0.00 -1.45 0.00 0.00 41.25 37.51 1s78 s ASN 137 CO -0.06 -0.00 0.60 0.59 -3.72 0.00 0.00 177.10 174.50 1s78 n ASN 138 N 4.27 -7.89 -3.96 -4.21 4.13 -0.58 -1.37 115.26 105.65 1s78 n ASN 138 Ca -0.11 0.53 -0.09 0.00 1.68 0.00 0.00 54.58 56.58 1s78 n ASN 138 Cb 0.51 -5.29 -0.08 0.00 -1.54 0.00 0.00 39.78 33.39 1s78 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1s78 s PHE 139 N -2.56 0.38 -0.14 3.10 -0.71 -0.84 -4.27 117.98 112.94 1s78 s PHE 139 Ca 0.25 -0.78 -0.18 0.00 -1.04 0.00 0.00 56.93 55.18 1s78 s PHE 139 Cb -0.07 -0.13 0.05 0.00 -1.21 0.00 0.00 43.02 41.66 1s78 s PHE 139 CO 0.77 -0.62 0.48 -0.47 -1.34 0.00 0.00 175.22 174.05 1s78 s TYR 140 N -3.94 -0.49 0.60 3.49 6.14 -0.94 -0.81 117.35 121.40 1s78 s TYR 140 Ca 0.13 1.12 -0.10 0.00 0.64 0.00 0.00 57.07 58.86 1s78 s TYR 140 Cb 0.05 0.19 0.14 0.00 0.42 0.00 0.00 41.96 42.76 1s78 s TYR 140 CO -0.04 -0.32 0.79 -0.35 0.64 0.00 0.00 175.55 176.27 1s78 n PRO 141 N 2.34 -0.92 -0.10 4.97 -0.04 -1.26 -0.92 135.00 139.07 1s78 n PRO 141 Ca -0.15 -1.22 0.03 0.00 -0.04 0.00 0.00 63.50 62.12 1s78 n PRO 141 Cb 0.57 -0.84 0.36 0.00 -0.04 0.00 0.00 33.50 33.54 1s78 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1s78 h ARG 142 N 0.00 0.71 -6.41 0.54 2.43 -2.00 -3.43 114.38 106.22 1s78 h ARG 142 Ca -0.26 -0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.30 1s78 h ARG 142 Cb 0.72 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1s78 h ARG 142 CO 0.18 0.47 1.04 -1.21 -1.51 0.00 0.00 179.97 178.95 1s78 s GLU 143 N -5.64 3.74 0.02 0.20 8.01 -1.26 -4.97 118.70 118.80 1s78 s GLU 143 Ca -0.09 1.19 -0.15 0.00 0.01 0.00 0.00 54.97 55.92 1s78 s GLU 143 Cb 0.18 -3.97 0.02 0.00 -4.31 0.00 0.00 34.13 26.05 1s78 s GLU 143 CO 0.75 -1.35 0.33 0.00 0.01 0.00 0.00 175.26 175.00 1s78 s ALA 144 N 5.00 -0.79 -0.21 5.21 0.00 -1.26 -4.59 121.76 125.11 1s78 s ALA 144 Ca 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 1s78 s ALA 144 Cb -0.17 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1s78 s ALA 144 CO 0.28 -0.35 -0.11 0.21 0.00 0.00 0.00 175.76 175.79 1s78 s LYS 145 N -1.96 3.02 -0.22 0.00 2.20 -0.64 -5.02 119.74 117.11 1s78 s LYS 145 Ca -0.09 -0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 54.64 1s78 s LYS 145 Cb -0.03 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 1s78 s LYS 145 CO 0.01 -0.28 -0.03 0.08 -0.36 0.00 0.00 175.35 174.77 1s78 s VAL 146 N 1.34 3.55 -0.06 4.02 1.01 -1.26 -1.14 120.40 127.85 1s78 s VAL 146 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1s78 s VAL 146 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1s78 s VAL 146 CO -0.08 0.42 -0.19 -1.58 0.00 0.00 0.00 175.10 173.67 1s78 s GLN 147 N 1.42 2.63 -0.29 2.72 2.00 0.24 -4.97 119.66 123.41 1s78 s GLN 147 Ca 0.05 -0.78 -0.11 0.00 -2.00 0.00 0.00 55.36 52.52 1s78 s GLN 147 Cb -0.14 -2.32 -0.04 0.00 0.80 0.00 0.00 33.01 31.30 1s78 s GLN 147 CO -0.02 0.47 0.19 -1.58 -0.50 0.00 0.00 175.29 173.85 1s78 s TRP 148 N -0.36 3.21 -0.60 1.67 0.52 -1.26 -0.04 118.94 122.08 1s78 s TRP 148 Ca 0.03 0.00 0.04 0.00 0.02 0.00 0.00 56.10 56.20 1s78 s TRP 148 Cb -0.12 -2.38 0.15 0.00 -1.15 0.00 0.00 33.47 29.97 1s78 s TRP 148 CO 0.02 -0.22 0.38 0.15 0.02 0.00 0.00 176.95 177.31 1s78 s LYS 149 N 1.74 2.11 0.01 4.98 1.02 -0.54 -0.22 119.74 128.84 1s78 s LYS 149 Ca 0.07 -2.92 -0.29 0.00 0.02 0.00 0.00 55.97 52.84 1s78 s LYS 149 Cb -0.16 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1s78 s LYS 149 CO 0.10 -1.22 0.94 0.08 -0.92 0.00 0.00 175.35 174.33 1s78 s VAL 150 N -0.83 4.83 0.00 3.17 1.01 -0.93 -2.45 120.40 125.20 1s78 s VAL 150 Ca 0.22 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.17 1s78 s VAL 150 Cb -0.13 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1s78 s VAL 150 CO -0.10 0.20 0.00 0.47 0.00 0.00 0.00 175.10 175.67 1s78 n ASP 151 N 3.68 0.00 0.00 3.32 8.00 0.13 -1.59 116.55 130.10 1s78 n ASP 151 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1s78 n ASP 151 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1s78 n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s78 n ASN 152 N 0.17 0.00 -4.85 -2.24 5.15 -1.26 -4.77 115.26 107.46 1s78 n ASN 152 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1s78 n ASN 152 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1s78 n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s78 s ALA 153 N 0.00 3.37 0.31 5.20 0.00 -0.62 -4.95 121.76 125.07 1s78 s ALA 153 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 1s78 s ALA 153 Cb 0.00 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.30 1s78 s ALA 153 CO 0.00 0.36 1.18 -0.51 0.00 0.00 0.00 175.76 176.79 1s78 s LEU 154 N -2.85 4.49 -0.85 0.00 1.02 -1.26 -2.20 118.68 117.03 1s78 s LEU 154 Ca 0.52 2.43 -0.10 0.00 0.02 0.00 0.00 54.13 57.00 1s78 s LEU 154 Cb -0.11 -3.66 0.22 0.00 0.02 0.00 0.00 46.19 42.66 1s78 s LEU 154 CO 0.18 -0.32 0.77 -1.10 0.02 0.00 0.00 176.35 175.90 1s78 s GLN 155 N -1.63 3.51 0.01 1.70 1.11 0.69 -4.93 119.66 120.12 1s78 s GLN 155 Ca 0.47 -2.67 -0.25 0.00 0.01 0.00 0.00 55.36 52.93 1s78 s GLN 155 Cb -0.35 -4.30 -0.05 0.00 -1.01 0.00 0.00 33.01 27.31 1s78 s GLN 155 CO 0.45 -1.26 0.75 0.45 0.01 0.00 0.00 175.29 175.70 1s78 s SER 156 N 1.59 7.15 0.00 5.90 0.15 -1.26 -4.53 113.70 122.70 1s78 s SER 156 Ca 0.21 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1s78 s SER 156 Cb -0.12 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1s78 s SER 156 CO -0.08 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1s78 n GLY 157 N 2.59 2.45 1.73 9.45 0.00 -1.26 -4.96 105.19 115.19 1s78 n GLY 157 Ca -0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1s78 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s78 n ASN 158 N 0.21 5.61 -3.89 1.61 0.23 -1.26 -4.84 115.26 112.93 1s78 n ASN 158 Ca 0.00 -2.86 -0.26 0.00 -0.53 0.00 0.00 54.58 50.94 1s78 n ASN 158 Cb 0.00 -0.98 -0.17 0.00 -2.08 0.00 0.00 39.78 36.55 1s78 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1s78 s SER 159 N 0.49 1.98 -0.01 0.53 1.04 -1.26 -2.42 113.70 114.05 1s78 s SER 159 Ca 0.24 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 1s78 s SER 159 Cb 0.19 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 1s78 s SER 159 CO 0.01 -0.11 0.08 -1.10 0.98 0.00 0.00 173.24 173.09 1s78 s GLN 160 N 1.61 3.07 0.26 4.02 -0.21 -0.62 -4.92 119.66 122.87 1s78 s GLN 160 Ca 0.02 -0.48 0.10 0.00 0.02 0.00 0.00 55.36 55.02 1s78 s GLN 160 Cb -0.13 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1s78 s GLN 160 CO -0.06 0.65 -0.03 -1.21 -2.12 0.00 0.00 175.29 172.52 1s78 s GLU 161 N -1.72 2.22 -0.17 2.91 2.02 -1.26 -0.86 118.70 121.85 1s78 s GLU 161 Ca 0.23 -1.42 -0.15 0.00 0.02 0.00 0.00 54.97 53.64 1s78 s GLU 161 Cb -0.12 -2.13 0.04 0.00 0.10 0.00 0.00 34.13 32.02 1s78 s GLU 161 CO 0.14 0.37 0.44 0.45 0.02 0.00 0.00 175.26 176.68 1s78 s SER 162 N -3.56 -0.47 0.06 -0.19 0.15 -0.89 -4.99 113.70 103.82 1s78 s SER 162 Ca 0.31 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.92 1s78 s SER 162 Cb -0.07 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1s78 s SER 162 CO 0.19 -0.16 -0.20 0.68 1.20 0.00 0.00 173.24 174.96 1s78 s VAL 163 N 0.34 1.58 0.56 4.45 -7.23 -1.26 -1.40 120.40 117.43 1s78 s VAL 163 Ca -0.01 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1s78 s VAL 163 Cb -0.04 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1s78 s VAL 163 CO -0.01 0.10 0.91 0.42 -0.31 0.00 0.00 175.10 176.21 1s78 s THR 164 N -0.91 4.67 0.51 5.32 -4.23 -1.01 -5.00 115.64 114.99 1s78 s THR 164 Ca 0.06 0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 60.85 1s78 s THR 164 Cb -0.09 -3.82 -0.07 0.00 1.34 0.00 0.00 72.50 69.86 1s78 s THR 164 CO 0.02 -0.94 1.13 -1.61 -0.54 0.00 0.00 174.62 172.69 1s78 s GLU 165 N -4.97 3.55 0.06 3.99 0.41 -1.26 -4.63 118.70 115.84 1s78 s GLU 165 Ca 0.52 1.64 -0.37 0.00 -0.41 0.00 0.00 54.97 56.35 1s78 s GLU 165 Cb -0.11 -2.16 -0.18 0.00 -1.78 0.00 0.00 34.13 29.90 1s78 s GLU 165 CO 0.49 -0.70 1.06 0.94 -0.49 0.00 0.00 175.26 176.56 1s78 n GLN 166 N -0.97 0.35 -1.71 1.61 -0.06 -1.26 -4.83 117.38 110.51 1s78 n GLN 166 Ca 0.10 0.13 -0.43 0.00 -2.00 0.00 0.00 57.00 54.80 1s78 n GLN 166 Cb 0.50 -1.59 -0.01 0.00 -4.06 0.00 0.00 30.24 25.08 1s78 n GLN 166 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1s78 n ASP 167 N 1.81 2.96 0.29 1.69 -0.08 -0.12 -4.87 116.55 118.23 1s78 n ASP 167 Ca 0.19 1.20 0.18 0.00 -1.51 0.00 0.00 54.79 54.85 1s78 n ASP 167 Cb 0.14 -1.50 0.86 0.00 2.34 0.00 0.00 41.12 42.96 1s78 n ASP 167 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1s78 h SER 168 N 2.93 0.00 0.00 1.67 4.64 -1.93 -2.93 113.55 117.94 1s78 h SER 168 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 1s78 h SER 168 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1s78 h SER 168 CO 0.65 0.03 -0.84 0.29 -0.87 0.00 0.00 176.83 176.09 1s78 n LYS 169 N -3.18 0.14 -0.25 4.77 4.76 -1.26 -4.81 118.16 118.33 1s78 n LYS 169 Ca -0.01 0.06 0.12 0.00 -2.87 0.00 0.00 58.31 55.61 1s78 n LYS 169 Cb 0.22 -0.74 0.25 0.00 -1.84 0.00 0.00 35.03 32.92 1s78 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1s78 n ASP 170 N -3.52 3.64 -3.07 4.39 5.75 -1.26 -4.97 116.55 117.51 1s78 n ASP 170 Ca -0.09 -2.00 -0.21 0.00 -0.01 0.00 0.00 54.79 52.48 1s78 n ASP 170 Cb 0.37 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 1s78 n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1s78 n SER 171 N 1.57 -4.53 -0.97 -1.12 7.64 -1.10 -4.93 113.62 110.18 1s78 n SER 171 Ca 0.21 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1s78 n SER 171 Cb 0.62 -3.73 0.00 0.00 -1.01 0.00 0.00 64.21 60.09 1s78 n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1s78 n THR 172 N -4.01 0.00 -4.43 0.44 -2.24 -1.26 -4.67 114.28 98.11 1s78 n THR 172 Ca -0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1s78 n THR 172 Cb 0.58 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 1s78 n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s78 s TYR 173 N 0.64 1.77 -0.19 4.78 1.51 0.01 -0.94 117.35 124.93 1s78 s TYR 173 Ca 0.00 -1.17 -0.08 0.00 -1.01 0.00 0.00 57.07 54.81 1s78 s TYR 173 Cb 0.00 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 40.82 1s78 s TYR 173 CO 0.00 -0.24 0.43 -1.12 -1.11 0.00 0.00 175.55 173.51 1s78 s SER 174 N -3.48 -0.41 0.13 2.29 0.01 -1.26 -1.52 113.70 109.46 1s78 s SER 174 Ca 0.32 0.97 0.06 0.00 1.31 0.00 0.00 55.95 58.61 1s78 s SER 174 Cb 0.06 1.09 -0.04 0.00 0.21 0.00 0.00 66.02 67.34 1s78 s SER 174 CO 0.15 -0.21 0.03 -0.22 0.41 0.00 0.00 173.24 173.40 1s78 s LEU 175 N 2.01 3.49 -0.08 2.44 0.20 0.18 -2.42 118.68 124.51 1s78 s LEU 175 Ca -0.06 -0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.51 1s78 s LEU 175 Cb -0.10 -2.17 0.04 0.00 -0.43 0.00 0.00 46.19 43.52 1s78 s LEU 175 CO -0.13 0.13 0.04 -0.94 -0.29 0.00 0.00 176.35 175.16 1s78 s SER 176 N -2.67 1.57 -0.26 3.68 1.04 -0.50 0.37 113.70 116.93 1s78 s SER 176 Ca 0.27 -0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.44 1s78 s SER 176 Cb -0.11 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 1s78 s SER 176 CO 0.19 -0.25 0.31 -0.55 0.98 0.00 0.00 173.24 173.92 1s78 s SER 177 N 2.08 6.20 -0.20 7.02 0.15 -0.40 -2.09 113.70 126.46 1s78 s SER 177 Ca 0.04 0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.85 1s78 s SER 177 Cb -0.13 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1s78 s SER 177 CO -0.05 -0.11 0.04 -0.89 1.20 0.00 0.00 173.24 173.42 1s78 s THR 178 N 1.80 4.36 -0.13 6.45 2.01 -0.04 -0.18 115.64 129.91 1s78 s THR 178 Ca 0.13 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 1s78 s THR 178 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1s78 s THR 178 CO 0.09 0.43 0.12 -0.22 -0.69 0.00 0.00 174.62 174.36 1s78 s LEU 179 N 0.77 4.25 -0.47 4.42 2.96 0.63 -1.60 118.68 129.65 1s78 s LEU 179 Ca 0.02 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1s78 s LEU 179 Cb -0.14 -2.04 0.13 0.00 0.50 0.00 0.00 46.19 44.64 1s78 s LEU 179 CO 0.02 0.36 0.23 -0.89 -1.32 0.00 0.00 176.35 174.75 1s78 s THR 180 N -0.72 2.06 -0.08 3.68 2.01 -1.02 -1.41 115.64 120.16 1s78 s THR 180 Ca 0.13 -2.90 -0.03 0.00 0.31 0.00 0.00 61.69 59.21 1s78 s THR 180 Cb -0.12 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1s78 s THR 180 CO 0.03 -0.82 0.04 -0.76 -0.69 0.00 0.00 174.62 172.42 1s78 s LEU 181 N 0.10 3.80 0.36 4.42 1.43 -0.63 -4.95 118.68 123.21 1s78 s LEU 181 Ca 0.16 0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 53.20 1s78 s LEU 181 Cb -0.25 -1.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1s78 s LEU 181 CO -0.01 0.37 1.38 -0.94 0.23 0.00 0.00 176.35 177.38 1s78 s SER 182 N -1.03 6.55 0.31 2.29 1.04 -1.26 0.53 113.70 122.13 1s78 s SER 182 Ca 0.15 2.84 0.04 0.00 0.48 0.00 0.00 55.95 59.46 1s78 s SER 182 Cb -0.12 -2.66 0.80 0.00 0.10 0.00 0.00 66.02 64.15 1s78 s SER 182 CO 0.04 -0.70 1.58 0.50 0.98 0.00 0.00 173.24 175.64 1s78 h LYS 183 N 3.17 0.04 -0.08 4.02 3.64 0.27 0.13 116.57 127.75 1s78 h LYS 183 Ca -0.50 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1s78 h LYS 183 Cb 1.23 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1s78 h LYS 183 CO 0.65 0.02 0.03 0.00 -2.27 0.00 0.00 179.45 177.88 1s78 h ALA 184 N 1.95 0.11 -0.97 5.00 0.00 -1.91 -2.63 119.26 120.81 1s78 h ALA 184 Ca 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1s78 h ALA 184 Cb 1.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1s78 h ALA 184 CO -0.86 -0.30 0.62 0.22 0.00 0.00 0.00 179.25 178.93 1s78 h ASP 185 N -0.04 1.13 -0.52 0.00 -0.00 -1.27 -2.88 116.42 112.84 1s78 h ASP 185 Ca 0.03 -0.04 0.05 0.00 -0.00 0.00 0.00 57.03 57.07 1s78 h ASP 185 Cb 0.19 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 39.18 1s78 h ASP 185 CO -0.00 0.83 0.24 0.22 -0.00 0.00 0.00 179.24 180.54 1s78 h TYR 186 N 1.32 0.44 -0.12 0.28 3.20 -0.71 -2.74 116.97 118.64 1s78 h TYR 186 Ca 0.35 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 1s78 h TYR 186 Cb -0.12 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 1s78 h TYR 186 CO 0.00 0.20 0.11 0.39 -1.64 0.00 0.00 178.16 177.22 1s78 n GLU 187 N -4.91 1.21 0.00 1.82 1.02 -1.00 -3.35 120.64 115.42 1s78 n GLU 187 Ca 0.05 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 1s78 n GLU 187 Cb 0.16 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1s78 n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1s78 n LYS 188 N 1.14 1.84 -4.50 3.49 0.00 -1.03 -5.05 118.16 114.06 1s78 n LYS 188 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.15 1s78 n LYS 188 Cb 0.53 -0.94 -0.11 0.00 0.00 0.00 0.00 35.03 34.51 1s78 n LYS 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1s78 s HIS 189 N -1.80 2.19 -0.06 5.64 3.76 -1.21 -5.10 115.29 118.70 1s78 s HIS 189 Ca 0.00 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.16 1s78 s HIS 189 Cb 0.00 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 1s78 s HIS 189 CO 0.00 0.34 -0.13 1.17 -0.85 0.00 0.00 174.74 175.27 1s78 n LYS 190 N -0.74 0.20 -3.21 1.40 4.81 -1.26 -4.78 118.16 114.59 1s78 n LYS 190 Ca -0.05 0.09 -0.46 0.00 -0.87 0.00 0.00 58.31 57.02 1s78 n LYS 190 Cb 0.65 -0.85 -0.03 0.00 0.02 0.00 0.00 35.03 34.82 1s78 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1s78 s VAL 191 N -2.25 5.24 -0.38 3.15 1.01 -1.26 -1.98 120.40 123.92 1s78 s VAL 191 Ca -0.13 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 59.75 1s78 s VAL 191 Cb 0.04 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1s78 s VAL 191 CO 0.17 -1.11 0.75 -0.31 0.00 0.00 0.00 175.10 174.59 1s78 s TYR 192 N 1.32 3.09 0.09 5.22 1.51 -0.62 0.20 117.35 128.18 1s78 s TYR 192 Ca 0.17 0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.70 1s78 s TYR 192 Cb -0.15 -3.40 -0.03 0.00 -0.11 0.00 0.00 41.96 38.27 1s78 s TYR 192 CO -0.04 -0.77 -0.18 0.00 -1.11 0.00 0.00 175.55 173.44 1s78 s ALA 193 N 3.05 1.57 -0.27 3.71 0.00 -1.02 -1.45 121.76 127.34 1s78 s ALA 193 Ca 0.29 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1s78 s ALA 193 Cb -0.13 -0.18 0.08 0.00 0.00 0.00 0.00 23.12 22.88 1s78 s ALA 193 CO 0.18 0.27 0.01 0.00 0.00 0.00 0.00 175.76 176.22 1s78 s GLU 195 N 1.37 4.31 -0.15 0.00 2.12 0.94 -1.85 118.70 125.45 1s78 s GLU 195 Ca 0.01 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.76 1s78 s GLU 195 Cb -0.18 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.78 1s78 s GLU 195 CO -0.11 0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.68 1s78 s VAL 196 N 0.75 1.54 -0.19 3.70 1.01 -0.51 0.82 120.40 127.52 1s78 s VAL 196 Ca 0.25 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1s78 s VAL 196 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1s78 s VAL 196 CO 0.10 0.42 0.03 0.42 0.00 0.00 0.00 175.10 176.06 1s78 s THR 197 N 1.50 4.31 0.25 3.92 -4.23 -0.29 -0.83 115.64 120.26 1s78 s THR 197 Ca 0.04 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1s78 s THR 197 Cb -0.13 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1s78 s THR 197 CO -0.10 0.44 0.08 -2.28 -0.54 0.00 0.00 174.62 172.22 1s78 s HIS 198 N 0.74 1.51 0.18 3.99 2.46 -1.26 -1.62 115.29 121.28 1s78 s HIS 198 Ca 0.01 -1.15 0.16 0.00 0.47 0.00 0.00 55.06 54.56 1s78 s HIS 198 Cb -0.14 -0.88 0.55 0.00 -0.13 0.00 0.00 32.58 31.98 1s78 s HIS 198 CO 0.02 -0.30 1.68 0.37 -2.47 0.00 0.00 174.74 174.04 1s78 h GLN 199 N 2.42 0.00 -0.00 2.88 4.15 -1.94 -3.29 115.11 119.32 1s78 h GLN 199 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1s78 h GLN 199 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1s78 h GLN 199 CO 0.61 0.45 0.00 0.41 -1.93 0.00 0.00 178.83 178.37 1s78 n GLY 200 N 0.30 -0.97 3.03 2.39 0.00 -1.26 -4.78 105.19 103.91 1s78 n GLY 200 Ca -0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1s78 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 201 N -1.60 1.82 0.19 0.99 1.43 -1.24 -4.48 118.68 115.79 1s78 s LEU 201 Ca 0.29 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1s78 s LEU 201 Cb 0.13 -0.63 0.21 0.00 0.03 0.00 0.00 46.19 45.93 1s78 s LEU 201 CO 0.22 0.08 1.72 0.77 0.23 0.00 0.00 176.35 179.37 1s78 h SER 202 N 6.35 0.02 -4.89 2.29 4.64 -1.88 -3.44 113.55 116.63 1s78 h SER 202 Ca -0.33 0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 60.90 1s78 h SER 202 Cb 1.17 0.12 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 1s78 h SER 202 CO 0.49 0.03 -0.69 -0.94 -0.87 0.00 0.00 176.83 174.85 1s78 s SER 203 N -5.32 0.85 0.25 4.97 1.04 -1.26 -5.11 113.70 109.12 1s78 s SER 203 Ca -0.13 -1.02 -0.31 0.00 0.48 0.00 0.00 55.95 54.97 1s78 s SER 203 Cb 0.16 0.15 -0.13 0.00 0.10 0.00 0.00 66.02 66.29 1s78 s SER 203 CO 0.73 -0.54 1.41 -2.65 0.98 0.00 0.00 173.24 173.17 1s78 n PRO 204 N 0.00 2.08 -4.05 4.02 -0.02 -1.26 -4.90 135.00 130.87 1s78 n PRO 204 Ca -0.12 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 1s78 n PRO 204 Cb 0.61 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 1s78 n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s78 s VAL 205 N -0.13 4.10 0.02 -1.45 1.01 -0.01 -4.91 120.40 119.03 1s78 s VAL 205 Ca 0.67 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1s78 s VAL 205 Cb -0.64 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1s78 s VAL 205 CO 0.50 0.42 0.13 -0.89 0.00 0.00 0.00 175.10 175.27 1s78 s THR 206 N 0.95 4.98 -0.05 3.92 2.01 -1.26 -1.42 115.64 124.77 1s78 s THR 206 Ca 0.02 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 1s78 s THR 206 Cb -0.14 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.06 1s78 s THR 206 CO 0.02 0.28 0.03 -0.54 -0.69 0.00 0.00 174.62 173.72 1s78 s LYS 207 N -2.01 0.23 0.06 4.92 1.02 -0.77 -4.99 119.74 118.20 1s78 s LYS 207 Ca 0.27 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.50 1s78 s LYS 207 Cb -0.12 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 1s78 s LYS 207 CO 0.19 -0.29 -0.05 -1.54 -0.92 0.00 0.00 175.35 172.73 1s78 s SER 208 N 1.93 0.75 0.08 2.83 1.04 -1.26 -1.92 113.70 117.14 1s78 s SER 208 Ca 0.03 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.68 1s78 s SER 208 Cb -0.12 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1s78 s SER 208 CO -0.04 -0.41 -0.11 0.72 0.98 0.00 0.00 173.24 174.39 1s78 s PHE 209 N -2.80 1.02 -0.11 5.02 -0.12 -0.53 -5.01 117.98 115.44 1s78 s PHE 209 Ca 0.01 -0.57 -0.09 0.00 -0.05 0.00 0.00 56.93 56.23 1s78 s PHE 209 Cb -0.00 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 1s78 s PHE 209 CO -0.04 -0.00 0.19 -0.80 -0.05 0.00 0.00 175.22 174.51 1s78 s ASN 210 N -2.08 6.43 0.16 1.98 0.02 -1.26 -1.58 114.94 118.61 1s78 s ASN 210 Ca 0.00 0.52 -0.09 0.00 -1.02 0.00 0.00 52.86 52.27 1s78 s ASN 210 Cb -0.06 -2.11 0.00 0.00 0.02 0.00 0.00 41.25 39.10 1s78 s ASN 210 CO 0.01 0.35 1.50 -0.09 0.02 0.00 0.00 177.10 178.89 1s78 h ARG 211 N 5.24 0.90 -0.10 -0.60 1.12 -1.70 -3.15 114.38 116.08 1s78 h ARG 211 Ca -0.52 -0.46 0.00 0.00 -1.11 0.00 0.00 59.98 57.89 1s78 h ARG 211 Cb 1.21 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 1s78 h ARG 211 CO 0.62 1.11 0.00 0.41 -3.11 0.00 0.00 179.97 179.00 1s78 n GLY 212 N 0.08 -0.30 0.00 2.80 0.00 -1.26 -2.54 105.19 103.97 1s78 n GLY 212 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s78 n GLY 212 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s78 n GLU 213 N -0.37 0.00 0.00 1.61 0.00 -1.22 -5.28 120.64 115.38 1s78 n GLU 213 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.03 1s78 n GLU 213 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 31.44 31.12 1s78 n GLU 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13