#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m99 s SER 2 N 0.00 6.75 0.58 7.83 0.01 -1.26 -4.56 113.70 123.05 1m99 s SER 2 Ca 0.00 2.51 -0.19 0.00 1.31 0.00 0.00 55.95 59.58 1m99 s SER 2 Cb 0.00 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1m99 s SER 2 CO 0.00 -0.65 0.81 -2.65 0.41 0.00 0.00 173.24 171.16 1m99 n PRO 3 N 2.98 0.78 -4.16 12.44 -0.02 -1.26 -4.58 135.00 141.18 1m99 n PRO 3 Ca 0.08 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1m99 n PRO 3 Cb 0.41 -1.99 -0.14 0.00 -0.02 0.00 0.00 33.50 31.76 1m99 n PRO 3 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1m99 s ILE 4 N -1.57 3.33 -0.22 4.25 1.01 0.28 -0.83 121.20 127.44 1m99 s ILE 4 Ca 0.73 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 1m99 s ILE 4 Cb -0.44 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1m99 s ILE 4 CO 0.50 0.46 -0.01 -0.22 0.00 0.00 0.00 174.94 175.66 1m99 s LEU 5 N 1.10 3.06 -0.05 2.97 2.96 0.07 -0.49 118.68 128.29 1m99 s LEU 5 Ca 0.01 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1m99 s LEU 5 Cb -0.15 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1m99 s LEU 5 CO -0.01 -0.01 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.00 1m99 s GLY 6 N 1.43 1.45 0.03 7.98 0.00 -0.23 -1.14 107.32 116.85 1m99 s GLY 6 Ca 0.05 -1.00 -0.28 0.00 0.00 0.00 0.00 44.72 43.49 1m99 s GLY 6 CO -0.01 -0.71 1.22 -0.47 0.00 0.00 0.00 173.10 173.13 1m99 s TYR 7 N -0.51 0.00 0.86 1.90 5.04 -0.84 -1.85 117.35 121.95 1m99 s TYR 7 Ca 0.07 -0.17 -0.11 0.00 -2.44 0.00 0.00 57.07 54.41 1m99 s TYR 7 Cb -0.12 0.58 0.11 0.00 0.35 0.00 0.00 41.96 42.89 1m99 s TYR 7 CO 0.01 -0.42 1.09 -1.58 -1.34 0.00 0.00 175.55 173.32 1m99 s TRP 8 N -2.27 2.42 -1.35 4.97 0.52 -1.26 -1.31 118.94 120.66 1m99 s TRP 8 Ca 0.22 1.32 -0.09 0.00 0.02 0.00 0.00 56.10 57.57 1m99 s TRP 8 Cb 0.01 -3.13 0.11 0.00 -1.15 0.00 0.00 33.47 29.31 1m99 s TRP 8 CO -0.01 -2.20 2.17 1.17 0.02 0.00 0.00 176.95 178.10 1m99 n LYS 9 N -3.76 3.84 -4.15 4.98 4.81 -0.41 -4.62 118.16 118.84 1m99 n LYS 9 Ca 0.07 -3.28 -0.12 0.00 -0.87 0.00 0.00 58.31 54.12 1m99 n LYS 9 Cb 0.55 -2.87 -0.09 0.00 0.02 0.00 0.00 35.03 32.64 1m99 n LYS 9 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1m99 s ILE 10 N 0.40 0.00 -0.06 3.15 -4.36 -1.26 -4.51 121.20 114.56 1m99 s ILE 10 Ca 0.48 -1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 58.92 1m99 s ILE 10 Cb 0.14 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 1m99 s ILE 10 CO -0.04 0.00 0.36 0.11 0.24 0.00 0.00 174.94 175.61 1m99 h LYS 11 N 2.52 -0.29 0.00 0.37 1.57 -1.42 -3.45 116.57 115.86 1m99 h LYS 11 Ca -0.33 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1m99 h LYS 11 Cb 1.25 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1m99 h LYS 11 CO 0.48 -0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.58 1m99 n GLY 12 N 0.98 1.52 0.26 3.86 0.00 -0.26 -1.87 105.19 109.69 1m99 n GLY 12 Ca -0.04 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 45.91 1m99 n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1m99 h LEU 13 N 0.00 0.00 0.00 0.99 3.38 -1.91 -3.32 115.31 114.45 1m99 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1m99 h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1m99 h LEU 13 CO 0.00 0.00 -1.26 0.55 0.09 0.00 0.00 178.44 177.82 1m99 n VAL 14 N -3.05 0.24 -0.22 1.22 3.14 -1.11 -4.54 118.33 114.01 1m99 n VAL 14 Ca 0.01 -0.38 0.01 0.00 -2.96 0.00 0.00 64.34 61.03 1m99 n VAL 14 Cb 0.35 0.04 0.10 0.00 -1.06 0.00 0.00 33.84 33.27 1m99 n VAL 14 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1m99 h GLN 15 N 0.00 0.06 -0.79 1.45 5.75 -1.47 0.12 115.11 120.23 1m99 h GLN 15 Ca 0.00 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1m99 h GLN 15 Cb 0.86 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 1m99 h GLN 15 CO 0.00 0.04 0.52 -1.35 -2.65 0.00 0.00 178.83 175.39 1m99 h PRO 16 N 0.06 0.82 -0.53 -2.39 0.11 -1.83 -0.65 132.00 127.59 1m99 h PRO 16 Ca 0.34 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 1m99 h PRO 16 Cb 0.56 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1m99 h PRO 16 CO -0.62 0.54 -0.05 1.15 -0.21 0.00 0.00 178.00 178.81 1m99 h THR 17 N 0.84 1.27 -0.66 -1.15 2.02 -1.11 -0.99 112.91 113.13 1m99 h THR 17 Ca 0.34 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1m99 h THR 17 Cb 0.25 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1m99 h THR 17 CO -0.12 0.42 0.31 0.03 0.37 0.00 0.00 175.52 176.53 1m99 h ARG 18 N 0.85 0.97 -0.71 6.66 3.08 -0.09 -1.76 114.38 123.38 1m99 h ARG 18 Ca 0.15 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1m99 h ARG 18 Cb 0.60 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1m99 h ARG 18 CO 0.04 0.78 0.21 -0.07 -1.07 0.00 0.00 179.97 179.86 1m99 h LEU 19 N 0.93 1.04 -0.73 3.04 3.38 -0.88 -1.72 115.31 120.36 1m99 h LEU 19 Ca 0.23 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1m99 h LEU 19 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1m99 h LEU 19 CO -0.03 0.97 0.22 0.25 0.09 0.00 0.00 178.44 179.95 1m99 h LEU 20 N 1.06 1.06 -0.47 1.67 5.85 -0.83 -0.69 115.31 122.97 1m99 h LEU 20 Ca 0.23 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1m99 h LEU 20 Cb 0.31 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1m99 h LEU 20 CO -0.01 0.99 0.17 -0.07 -0.34 0.00 0.00 178.44 179.19 1m99 h LEU 21 N 1.08 0.66 -0.24 2.25 3.38 -1.04 -0.83 115.31 120.56 1m99 h LEU 21 Ca 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1m99 h LEU 21 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1m99 h LEU 21 CO -0.01 0.66 0.09 -0.33 0.09 0.00 0.00 178.44 178.95 1m99 h GLU 22 N 0.61 0.37 -0.89 1.13 4.39 -1.14 0.96 114.58 120.01 1m99 h GLU 22 Ca 0.15 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.83 1m99 h GLU 22 Cb 0.22 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 1m99 h GLU 22 CO -0.01 0.42 0.57 -0.92 -1.16 0.00 0.00 179.01 177.91 1m99 h TYR 23 N 0.23 1.06 -0.00 4.33 3.20 -0.96 0.30 116.97 125.12 1m99 h TYR 23 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1m99 h TYR 23 Cb 0.20 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1m99 h TYR 23 CO -0.00 0.58 -0.05 1.28 -1.64 0.00 0.00 178.16 178.32 1m99 n LEU 24 N -4.56 0.09 -3.29 2.82 4.77 -0.33 -4.91 117.00 111.59 1m99 n LEU 24 Ca 0.12 0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 56.19 1m99 n LEU 24 Cb 0.13 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1m99 n LEU 24 CO 0.33 0.02 0.09 -0.62 -1.33 0.00 0.00 177.39 175.88 1m99 n GLU 25 N -1.35 -5.94 -2.97 3.23 1.02 0.15 -4.96 120.64 109.82 1m99 n GLU 25 Ca 0.11 0.84 -0.37 0.00 -0.02 0.00 0.00 57.16 57.72 1m99 n GLU 25 Cb 0.29 -5.77 -0.06 0.00 -0.02 0.00 0.00 31.44 25.88 1m99 n GLU 25 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1m99 s GLU 26 N -5.99 4.43 0.17 3.49 0.41 -0.14 -5.02 118.70 116.06 1m99 s GLU 26 Ca 0.43 1.09 -0.23 0.00 -0.41 0.00 0.00 54.97 55.84 1m99 s GLU 26 Cb -0.19 -2.94 -0.08 0.00 -1.78 0.00 0.00 34.13 29.14 1m99 s GLU 26 CO 0.53 0.40 0.74 0.21 -0.49 0.00 0.00 175.26 176.65 1m99 s LYS 27 N -1.82 4.45 -0.12 1.61 2.47 -1.26 -4.72 119.74 120.34 1m99 s LYS 27 Ca 0.44 1.04 -0.30 0.00 -1.56 0.00 0.00 55.97 55.59 1m99 s LYS 27 Cb -0.19 -3.16 0.12 0.00 -1.46 0.00 0.00 37.83 33.14 1m99 s LYS 27 CO 0.23 0.53 0.95 1.52 0.16 0.00 0.00 175.35 178.75 1m99 s TYR 28 N -1.24 -0.38 0.16 4.03 1.13 -1.26 -4.19 117.35 115.60 1m99 s TYR 28 Ca 0.37 0.57 0.07 0.00 -1.41 0.00 0.00 57.07 56.67 1m99 s TYR 28 Cb -0.21 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 1m99 s TYR 28 CO 0.24 -0.40 0.00 -1.21 -2.51 0.00 0.00 175.55 171.67 1m99 s GLU 29 N -1.57 2.43 -0.06 -3.49 0.41 -0.01 -4.98 118.70 111.43 1m99 s GLU 29 Ca -0.01 -1.06 0.05 0.00 -0.41 0.00 0.00 54.97 53.54 1m99 s GLU 29 Cb -0.01 -2.39 -0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1m99 s GLU 29 CO -0.00 0.47 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.79 1m99 s GLU 30 N -2.85 2.43 -0.60 1.61 2.02 -1.26 -0.75 118.70 119.29 1m99 s GLU 30 Ca 0.27 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.27 1m99 s GLU 30 Cb -0.10 -2.04 0.15 0.00 0.10 0.00 0.00 34.13 32.24 1m99 s GLU 30 CO 0.19 0.33 0.56 -1.01 0.02 0.00 0.00 175.26 175.34 1m99 s HIS 31 N -0.06 3.37 -0.26 1.61 3.76 -0.29 -4.95 115.29 118.46 1m99 s HIS 31 Ca -0.05 -1.46 -0.14 0.00 -0.15 0.00 0.00 55.06 53.26 1m99 s HIS 31 Cb -0.14 -3.80 -0.04 0.00 1.11 0.00 0.00 32.58 29.71 1m99 s HIS 31 CO 0.04 -1.01 0.31 -0.51 -0.85 0.00 0.00 174.74 172.71 1m99 s LEU 32 N 1.27 4.05 -0.27 0.89 1.43 -1.26 -1.98 118.68 122.81 1m99 s LEU 32 Ca 0.06 0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 1m99 s LEU 32 Cb -0.25 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1m99 s LEU 32 CO 0.00 -0.11 0.56 -0.31 0.23 0.00 0.00 176.35 176.72 1m99 s TYR 33 N 1.80 3.26 0.92 0.29 2.02 -0.43 -4.82 117.35 120.38 1m99 s TYR 33 Ca 0.13 0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 57.36 1m99 s TYR 33 Cb -0.15 -2.80 0.14 0.00 -0.40 0.00 0.00 41.96 38.74 1m99 s TYR 33 CO 0.09 -0.33 1.11 -1.21 -1.57 0.00 0.00 175.55 173.64 1m99 s GLU 34 N 2.41 1.10 0.57 -0.62 0.41 -1.26 -1.29 118.70 120.03 1m99 s GLU 34 Ca 0.23 0.53 0.27 0.00 -0.41 0.00 0.00 54.97 55.59 1m99 s GLU 34 Cb -0.15 -1.81 1.56 0.00 -1.78 0.00 0.00 34.13 31.94 1m99 s GLU 34 CO 0.10 -2.28 2.06 -0.09 -0.49 0.00 0.00 175.26 174.56 1m99 h ARG 35 N -1.56 0.00 -0.35 1.61 2.43 -1.97 -1.37 114.38 113.17 1m99 h ARG 35 Ca -0.51 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1m99 h ARG 35 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1m99 h ARG 35 CO 0.59 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.65 1m99 n ASP 36 N -3.95 4.36 -1.18 -3.80 3.85 -1.26 -4.49 116.55 110.08 1m99 n ASP 36 Ca 0.03 -3.01 0.01 0.00 -0.71 0.00 0.00 54.79 51.12 1m99 n ASP 36 Cb 0.40 -0.59 0.24 0.00 -1.35 0.00 0.00 41.12 39.83 1m99 n ASP 36 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1m99 n GLU 37 N -0.23 2.67 -0.35 0.11 1.02 -0.52 -4.66 120.64 118.67 1m99 n GLU 37 Ca 0.23 -2.99 0.08 0.00 -0.02 0.00 0.00 57.16 54.46 1m99 n GLU 37 Cb 0.98 -1.90 0.25 0.00 -0.02 0.00 0.00 31.44 30.75 1m99 n GLU 37 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1m99 h GLY 38 N 1.64 1.64 1.67 0.62 0.00 -1.79 -0.39 103.07 106.47 1m99 h GLY 38 Ca 0.13 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1m99 h GLY 38 CO 0.38 0.10 -0.48 -0.55 0.00 0.00 0.00 176.54 175.98 1m99 h ASP 39 N 0.91 0.39 -0.93 0.19 3.32 -1.97 -1.48 116.42 116.85 1m99 h ASP 39 Ca 0.51 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.40 1m99 h ASP 39 Cb 0.58 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1m99 h ASP 39 CO -0.30 0.81 0.61 0.50 -1.72 0.00 0.00 179.24 179.15 1m99 h LYS 40 N 0.28 1.18 -0.10 3.56 3.64 -1.42 -1.54 116.57 122.18 1m99 h LYS 40 Ca 0.01 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1m99 h LYS 40 Cb 0.96 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1m99 h LYS 40 CO 0.08 0.78 -0.08 2.35 -2.27 0.00 0.00 179.45 180.31 1m99 h TRP 41 N 1.22 0.27 -0.75 1.91 -0.00 -1.07 -3.12 115.95 114.41 1m99 h TRP 41 Ca 0.36 -0.08 0.12 0.00 -0.00 0.00 0.00 58.89 59.28 1m99 h TRP 41 Cb -0.07 -0.06 -0.08 0.00 -0.00 0.00 0.00 29.16 28.95 1m99 h TRP 41 CO -0.01 0.64 0.35 0.00 -0.00 0.00 0.00 178.44 179.42 1m99 h ARG 42 N -0.17 0.55 0.00 2.65 3.08 -0.89 0.63 114.38 120.22 1m99 h ARG 42 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1m99 h ARG 42 Cb 0.59 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1m99 h ARG 42 CO 0.02 0.36 0.00 0.09 -1.07 0.00 0.00 179.97 179.37 1m99 n ASN 43 N -4.90 0.00 -0.02 7.04 3.02 -0.61 -3.19 115.26 116.60 1m99 n ASN 43 Ca 0.13 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1m99 n ASN 43 Cb 0.34 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1m99 n ASN 43 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m99 n LYS 44 N -1.40 1.45 -0.40 3.52 4.81 -0.13 -4.74 118.16 121.28 1m99 n LYS 44 Ca 0.07 -0.04 -0.06 0.00 -0.87 0.00 0.00 58.31 57.42 1m99 n LYS 44 Cb 0.21 -1.17 -0.02 0.00 0.02 0.00 0.00 35.03 34.06 1m99 n LYS 44 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1m99 n LYS 45 N -1.98 -0.32 -0.25 1.64 4.81 0.20 -0.36 118.16 121.89 1m99 n LYS 45 Ca -0.06 1.50 0.05 0.00 -0.87 0.00 0.00 58.31 58.94 1m99 n LYS 45 Cb 0.43 -2.22 0.17 0.00 0.02 0.00 0.00 35.03 33.43 1m99 n LYS 45 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1m99 n PHE 46 N -5.35 0.63 -0.00 5.64 3.72 -1.26 -4.01 117.46 116.82 1m99 n PHE 46 Ca 0.06 -0.27 0.03 0.00 -0.05 0.00 0.00 57.45 57.22 1m99 n PHE 46 Cb 0.33 -0.08 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 1m99 n PHE 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1m99 n GLU 47 N 0.50 2.11 0.00 -1.08 -0.58 0.51 -4.64 120.64 117.46 1m99 n GLU 47 Ca 0.13 -1.54 0.12 0.00 -0.42 0.00 0.00 57.16 55.45 1m99 n GLU 47 Cb 0.42 -1.13 0.19 0.00 -0.57 0.00 0.00 31.44 30.34 1m99 n GLU 47 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1m99 n LEU 48 N 0.10 2.21 0.00 -4.62 4.77 -1.16 -4.94 117.00 113.36 1m99 n LEU 48 Ca 0.05 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1m99 n LEU 48 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1m99 n LEU 48 CO 0.04 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1m99 n GLY 49 N 1.33 0.68 3.73 -0.72 0.00 -1.26 -5.03 105.19 103.92 1m99 n GLY 49 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1m99 n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m99 s LEU 50 N 0.00 4.44 0.23 0.99 1.43 -1.26 -4.94 118.68 119.56 1m99 s LEU 50 Ca 0.00 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 1m99 s LEU 50 Cb 0.00 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.83 1m99 s LEU 50 CO 0.00 -0.29 1.52 -0.33 0.23 0.00 0.00 176.35 177.48 1m99 h GLU 51 N 5.84 0.15 -2.10 1.70 5.08 -1.96 -3.34 114.58 119.96 1m99 h GLU 51 Ca -0.43 -0.12 -0.57 0.00 -1.00 0.00 0.00 59.36 57.24 1m99 h GLU 51 Cb 1.21 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.08 1m99 h GLU 51 CO 0.75 0.78 -0.89 1.19 -1.00 0.00 0.00 179.01 179.84 1m99 n PHE 52 N -3.78 1.57 -1.60 4.33 3.72 -1.26 -5.10 117.46 115.35 1m99 n PHE 52 Ca -0.02 -3.85 -0.62 0.00 -0.05 0.00 0.00 57.45 52.91 1m99 n PHE 52 Cb 0.67 -0.45 -0.09 0.00 -0.94 0.00 0.00 39.48 38.68 1m99 n PHE 52 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1m99 n PRO 53 N 0.92 0.00 -3.83 -1.08 -0.02 -1.26 -4.78 135.00 124.95 1m99 n PRO 53 Ca 0.26 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 1m99 n PRO 53 Cb 0.49 -1.44 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1m99 n PRO 53 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1m99 s ASN 54 N 1.84 -0.02 -0.06 2.55 3.84 -1.26 -5.09 114.94 116.73 1m99 s ASN 54 Ca 0.96 -0.21 0.04 0.00 0.21 0.00 0.00 52.86 53.85 1m99 s ASN 54 Cb -1.36 0.18 0.00 0.00 -0.55 0.00 0.00 41.25 39.52 1m99 s ASN 54 CO 0.70 -0.35 -0.18 -0.76 -2.79 0.00 0.00 177.10 173.72 1m99 s LEU 55 N -3.43 1.90 0.73 3.21 1.43 -1.26 -4.09 118.68 117.16 1m99 s LEU 55 Ca 0.22 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1m99 s LEU 55 Cb 0.02 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.19 1m99 s LEU 55 CO -0.01 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.64 1m99 s PRO 56 N 0.27 2.69 0.09 1.29 0.04 -1.26 -4.89 135.00 133.24 1m99 s PRO 56 Ca -0.11 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.40 1m99 s PRO 56 Cb -0.15 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1m99 s PRO 56 CO 0.04 -1.15 -0.09 1.52 0.04 0.00 0.00 177.00 177.36 1m99 s TYR 57 N -3.37 1.01 -0.12 0.56 -0.85 -0.77 -3.42 117.35 110.39 1m99 s TYR 57 Ca 0.59 -0.69 -0.02 0.00 -0.52 0.00 0.00 57.07 56.43 1m99 s TYR 57 Cb -0.11 -0.56 0.04 0.00 0.38 0.00 0.00 41.96 41.71 1m99 s TYR 57 CO 0.52 -0.03 0.04 -0.47 -1.52 0.00 0.00 175.55 174.08 1m99 s TYR 58 N -2.57 0.59 -0.17 -3.49 5.04 0.15 -1.06 117.35 115.83 1m99 s TYR 58 Ca 0.06 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 1m99 s TYR 58 Cb -0.02 -0.79 0.02 0.00 0.35 0.00 0.00 41.96 41.51 1m99 s TYR 58 CO -0.01 -0.41 -0.19 0.42 -1.34 0.00 0.00 175.55 174.01 1m99 s ILE 59 N 2.00 2.15 0.12 3.14 1.01 0.36 -0.41 121.20 129.58 1m99 s ILE 59 Ca 0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1m99 s ILE 59 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1m99 s ILE 59 CO -0.06 0.54 0.09 1.51 0.00 0.00 0.00 174.94 177.01 1m99 s ASP 60 N 1.16 0.28 0.44 3.58 -4.77 -0.62 0.10 116.67 116.84 1m99 s ASP 60 Ca 0.02 -1.08 0.04 0.00 -3.30 0.00 0.00 52.55 48.22 1m99 s ASP 60 Cb -0.14 0.31 0.21 0.00 -1.09 0.00 0.00 42.92 42.20 1m99 s ASP 60 CO -0.09 -0.74 0.97 1.23 0.70 0.00 0.00 175.17 177.24 1m99 h GLY 61 N 2.85 0.00 0.00 2.12 0.00 -1.93 -1.78 103.07 104.33 1m99 h GLY 61 Ca -0.34 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1m99 h GLY 61 CO 0.58 0.00 -1.29 1.22 0.00 0.00 0.00 176.54 177.05 1m99 n ASP 62 N -2.07 3.77 -4.00 0.19 10.43 -1.26 -5.09 116.55 118.52 1m99 n ASP 62 Ca -0.00 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.26 1m99 n ASP 62 Cb 0.74 0.98 -0.08 0.00 1.84 0.00 0.00 41.12 44.60 1m99 n ASP 62 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1m99 s VAL 63 N -2.27 0.09 -0.23 2.53 -7.23 -0.67 -5.12 120.40 107.50 1m99 s VAL 63 Ca -0.02 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1m99 s VAL 63 Cb 0.03 -1.82 0.07 0.00 0.56 0.00 0.00 36.38 35.21 1m99 s VAL 63 CO 0.22 -0.40 0.02 -0.54 -0.31 0.00 0.00 175.10 174.08 1m99 s LYS 64 N -3.97 0.94 0.15 4.82 -0.14 -1.26 -1.59 119.74 118.68 1m99 s LYS 64 Ca 0.17 -0.70 0.08 0.00 -1.36 0.00 0.00 55.97 54.16 1m99 s LYS 64 Cb 0.05 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 1m99 s LYS 64 CO -0.01 -0.69 -0.17 -0.51 -0.76 0.00 0.00 175.35 173.20 1m99 s LEU 65 N 1.68 2.43 0.21 3.17 1.43 0.45 -4.78 118.68 123.26 1m99 s LEU 65 Ca -0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1m99 s LEU 65 Cb -0.18 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1m99 s LEU 65 CO -0.10 -0.06 0.09 0.42 0.23 0.00 0.00 176.35 176.93 1m99 s THR 66 N -2.04 0.27 0.00 5.49 -4.23 -1.26 0.34 115.64 114.21 1m99 s THR 66 Ca 0.14 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1m99 s THR 66 Cb -0.06 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1m99 s THR 66 CO 0.06 -0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.02 1m99 n GLN 67 N -0.31 0.00 -0.34 3.99 1.13 -1.22 -4.59 117.38 116.04 1m99 n GLN 67 Ca -0.01 0.31 0.26 0.00 -1.94 0.00 0.00 57.00 55.62 1m99 n GLN 67 Cb 0.65 -0.56 0.50 0.00 0.11 0.00 0.00 30.24 30.94 1m99 n GLN 67 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1m99 h SER 68 N 0.00 0.47 0.35 1.08 4.64 -1.90 -0.33 113.55 117.86 1m99 h SER 68 Ca 0.00 0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 61.35 1m99 h SER 68 Cb 0.00 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1m99 h SER 68 CO 0.00 -0.17 -0.68 0.24 -0.87 0.00 0.00 176.83 175.35 1m99 h MET 69 N 0.27 0.30 -0.05 4.77 2.86 -1.92 -1.69 114.93 119.47 1m99 h MET 69 Ca 0.75 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 58.03 1m99 h MET 69 Cb 1.80 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.49 1m99 h MET 69 CO -0.61 0.86 -0.59 0.00 1.06 0.00 0.00 176.91 177.64 1m99 h ALA 70 N 1.07 0.91 0.14 6.32 0.00 -1.35 -2.06 119.26 124.28 1m99 h ALA 70 Ca -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1m99 h ALA 70 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1m99 h ALA 70 CO 0.11 0.72 -0.07 0.82 0.00 0.00 0.00 179.25 180.83 1m99 h ILE 71 N 0.14 1.02 -0.39 0.00 2.04 -1.14 -0.29 117.51 118.89 1m99 h ILE 71 Ca -0.00 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 1m99 h ILE 71 Cb 1.07 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1m99 h ILE 71 CO 0.09 0.19 -0.04 -0.29 0.00 0.00 0.00 178.15 178.10 1m99 h ILE 72 N -0.59 1.23 -0.28 -0.67 2.10 -1.34 -1.94 117.51 116.02 1m99 h ILE 72 Ca -0.02 -0.97 -0.12 0.00 1.08 0.00 0.00 64.86 64.83 1m99 h ILE 72 Cb 0.45 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 1m99 h ILE 72 CO 0.03 0.33 -0.34 0.03 -1.08 0.00 0.00 178.15 177.12 1m99 h ARG 73 N 0.61 0.60 0.10 2.19 3.08 -1.36 -1.51 114.38 118.09 1m99 h ARG 73 Ca 0.12 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1m99 h ARG 73 Cb 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1m99 h ARG 73 CO 0.02 0.86 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.82 1m99 h TYR 74 N 0.51 -0.12 -0.59 3.04 3.20 -0.57 0.27 116.97 122.71 1m99 h TYR 74 Ca 0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1m99 h TYR 74 Cb 0.84 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1m99 h TYR 74 CO 0.04 -0.01 0.34 0.82 -1.64 0.00 0.00 178.16 177.70 1m99 h ILE 75 N -0.21 1.02 -0.61 1.81 2.04 -1.25 -0.22 117.51 120.10 1m99 h ILE 75 Ca -0.01 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1m99 h ILE 75 Cb 0.17 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1m99 h ILE 75 CO 0.02 0.12 0.15 0.00 0.00 0.00 0.00 178.15 178.45 1m99 h ALA 76 N 1.28 0.80 -0.53 1.87 0.00 -1.02 -2.88 119.26 118.78 1m99 h ALA 76 Ca 0.25 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1m99 h ALA 76 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1m99 h ALA 76 CO -0.13 0.50 0.18 0.22 0.00 0.00 0.00 179.25 180.03 1m99 h ASP 77 N 0.88 0.71 0.32 0.00 3.58 0.09 0.21 116.42 122.21 1m99 h ASP 77 Ca 0.19 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1m99 h ASP 77 Cb 0.34 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1m99 h ASP 77 CO 0.00 0.66 0.00 0.29 -2.88 0.00 0.00 179.24 177.32 1m99 n LYS 78 N -4.32 0.04 -0.08 0.28 4.76 -0.15 -1.59 118.16 117.11 1m99 n LYS 78 Ca 0.04 0.28 0.06 0.00 -2.87 0.00 0.00 58.31 55.82 1m99 n LYS 78 Cb 0.18 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 31.95 1m99 n LYS 78 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1m99 n HIS 79 N -1.44 0.00 -3.72 2.13 8.25 -0.45 -5.00 115.22 115.00 1m99 n HIS 79 Ca 0.03 -0.73 -0.25 0.00 -0.26 0.00 0.00 57.72 56.51 1m99 n HIS 79 Cb 0.11 -0.10 0.05 0.00 1.12 0.00 0.00 29.99 31.17 1m99 n HIS 79 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1m99 n ASN 80 N -0.98 -4.54 -0.69 0.41 3.02 -0.62 -4.92 115.26 106.95 1m99 n ASN 80 Ca 0.09 -0.68 0.07 0.00 -0.03 0.00 0.00 54.58 54.03 1m99 n ASN 80 Cb 0.52 -4.47 0.13 0.00 -0.61 0.00 0.00 39.78 35.35 1m99 n ASN 80 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1m99 n MET 81 N -4.68 1.93 0.18 3.52 2.81 -0.07 -4.58 117.12 116.23 1m99 n MET 81 Ca -0.06 -1.79 0.12 0.00 -1.81 0.00 0.00 57.70 54.17 1m99 n MET 81 Cb 0.58 -1.31 0.20 0.00 -0.71 0.00 0.00 33.22 31.97 1m99 n MET 81 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1m99 h LEU 82 N 2.67 0.00 0.00 4.03 3.38 -1.90 -3.44 115.31 120.05 1m99 h LEU 82 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1m99 h LEU 82 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1m99 h LEU 82 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1m99 n GLY 83 N 1.16 4.53 0.05 0.83 0.00 -1.26 -4.03 105.19 106.47 1m99 n GLY 83 Ca 0.04 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.10 1m99 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m99 n GLY 84 N -1.27 -1.59 3.56 -0.02 0.00 -1.26 -4.71 105.19 99.88 1m99 n GLY 84 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1m99 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m99 h PRO 86 N 2.16 -0.01 -0.31 0.00 0.11 -1.99 -0.36 132.00 131.61 1m99 h PRO 86 Ca -0.28 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.86 1m99 h PRO 86 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1m99 h PRO 86 CO 0.35 -0.00 0.15 -0.22 -0.21 0.00 0.00 178.00 178.07 1m99 h LYS 87 N -0.01 0.30 -0.33 1.05 3.64 -1.99 -0.50 116.57 118.74 1m99 h LYS 87 Ca 0.36 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1m99 h LYS 87 Cb 0.56 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1m99 h LYS 87 CO -0.79 0.20 0.08 1.49 -2.27 0.00 0.00 179.45 178.17 1m99 h GLU 88 N 0.31 0.52 -0.17 1.90 4.81 -1.70 -1.53 114.58 118.72 1m99 h GLU 88 Ca 0.13 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1m99 h GLU 88 Cb 0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1m99 h GLU 88 CO -0.10 0.58 0.02 0.00 -0.73 0.00 0.00 179.01 178.78 1m99 h ARG 89 N 0.37 0.25 -0.15 1.92 3.08 -0.88 -1.07 114.38 117.90 1m99 h ARG 89 Ca 0.10 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1m99 h ARG 89 Cb 0.29 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1m99 h ARG 89 CO 0.00 0.25 -0.66 0.00 -1.07 0.00 0.00 179.97 178.49 1m99 h ALA 90 N 1.78 0.56 -0.30 0.04 0.00 -0.77 -0.97 119.26 119.62 1m99 h ALA 90 Ca 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1m99 h ALA 90 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1m99 h ALA 90 CO -0.00 0.71 0.18 1.49 0.00 0.00 0.00 179.25 181.63 1m99 h GLU 91 N 0.41 0.41 -0.51 0.00 4.57 -0.39 0.20 114.58 119.27 1m99 h GLU 91 Ca -0.02 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1m99 h GLU 91 Cb 1.24 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1m99 h GLU 91 CO 0.12 0.32 -0.01 0.82 -1.18 0.00 0.00 179.01 179.08 1m99 h ILE 92 N 0.38 1.25 -0.19 2.32 2.04 -1.14 -0.73 117.51 121.44 1m99 h ILE 92 Ca 0.11 -1.07 -0.13 0.00 1.00 0.00 0.00 64.86 64.77 1m99 h ILE 92 Cb 0.02 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1m99 h ILE 92 CO -0.02 0.38 -0.42 0.28 0.00 0.00 0.00 178.15 178.37 1m99 h SER 93 N 0.81 0.47 -0.51 1.72 0.02 -0.79 -1.74 113.55 113.53 1m99 h SER 93 Ca 0.15 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1m99 h SER 93 Cb 0.50 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1m99 h SER 93 CO 0.02 0.84 0.05 -0.03 -1.14 0.00 0.00 176.83 176.57 1m99 h MET 94 N 0.37 0.86 -0.85 3.45 1.85 -0.18 -1.94 114.93 118.49 1m99 h MET 94 Ca 0.03 -0.25 -0.03 0.00 -0.61 0.00 0.00 59.70 58.84 1m99 h MET 94 Cb 0.89 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.79 1m99 h MET 94 CO 0.08 0.87 0.41 -0.07 -0.40 0.00 0.00 176.91 177.80 1m99 h LEU 95 N 0.74 1.12 0.52 3.39 3.38 -0.88 -1.49 115.31 122.08 1m99 h LEU 95 Ca 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1m99 h LEU 95 Cb 0.45 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1m99 h LEU 95 CO 0.02 0.94 -0.29 -0.33 0.09 0.00 0.00 178.44 178.87 1m99 h GLU 96 N 1.22 -0.73 -0.76 1.13 5.08 -1.00 -1.77 114.58 117.76 1m99 h GLU 96 Ca 0.29 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.83 1m99 h GLU 96 Cb 0.12 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 1m99 h GLU 96 CO -0.04 -0.49 0.34 0.78 -1.00 0.00 0.00 179.01 178.61 1m99 h GLY 97 N -0.76 1.17 1.48 -3.84 0.00 -1.14 0.14 103.07 100.12 1m99 h GLY 97 Ca -0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1m99 h GLY 97 CO 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 176.54 176.51 1m99 h ALA 98 N 1.52 1.17 -0.27 3.60 0.00 -1.13 -1.70 119.26 122.46 1m99 h ALA 98 Ca 0.41 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1m99 h ALA 98 Cb 0.57 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1m99 h ALA 98 CO -0.36 0.53 -0.28 0.28 0.00 0.00 0.00 179.25 179.42 1m99 h VAL 99 N 0.59 1.31 -0.44 0.00 2.07 -0.32 -3.11 116.25 116.36 1m99 h VAL 99 Ca 0.11 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1m99 h VAL 99 Cb 0.48 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1m99 h VAL 99 CO 0.03 0.46 0.29 -0.07 0.02 0.00 0.00 177.57 178.30 1m99 h LEU 100 N 0.38 0.50 -1.34 2.57 3.38 -0.66 -0.52 115.31 119.62 1m99 h LEU 100 Ca 0.04 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1m99 h LEU 100 Cb 0.85 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1m99 h LEU 100 CO 0.07 0.36 0.50 0.44 0.09 0.00 0.00 178.44 179.89 1m99 h ASP 101 N 0.58 0.70 0.01 -0.43 3.45 -1.24 0.52 116.42 120.00 1m99 h ASP 101 Ca 0.16 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1m99 h ASP 101 Cb -0.05 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1m99 h ASP 101 CO -0.04 0.45 -0.00 0.40 -1.57 0.00 0.00 179.24 178.48 1m99 h ILE 102 N 0.79 1.59 -0.34 0.35 2.04 -1.23 -1.92 117.51 118.79 1m99 h ILE 102 Ca 0.33 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1m99 h ILE 102 Cb 0.27 2.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 1m99 h ILE 102 CO -0.11 0.52 0.21 -0.09 0.00 0.00 0.00 178.15 178.68 1m99 h ARG 103 N -0.95 0.45 0.00 2.37 9.65 -0.86 -1.42 114.38 123.63 1m99 h ARG 103 Ca -0.00 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 1m99 h ARG 103 Cb 0.86 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1m99 h ARG 103 CO 0.00 0.33 -0.33 1.88 2.80 0.00 0.00 179.97 184.64 1m99 h TYR 104 N 0.45 0.00 -0.20 2.20 -1.99 -0.12 -2.47 116.97 114.84 1m99 h TYR 104 Ca 0.12 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1m99 h TYR 104 Cb -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1m99 h TYR 104 CO -0.04 0.33 0.03 0.78 -0.00 0.00 0.00 178.16 179.26 1m99 h GLY 105 N 1.68 0.31 0.17 3.88 0.00 -0.43 -0.70 103.07 107.97 1m99 h GLY 105 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1m99 h GLY 105 CO 0.04 0.14 -0.02 -2.08 0.00 0.00 0.00 176.54 174.62 1m99 h VAL 106 N 0.29 1.19 -0.81 4.60 2.07 -0.99 -3.33 116.25 119.26 1m99 h VAL 106 Ca 0.07 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 66.04 1m99 h VAL 106 Cb 0.15 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1m99 h VAL 106 CO -0.00 0.36 0.53 0.28 0.02 0.00 0.00 177.57 178.76 1m99 h SER 107 N -0.89 0.74 -0.43 0.57 0.02 -1.32 -0.82 113.55 111.41 1m99 h SER 107 Ca -0.01 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1m99 h SER 107 Cb 0.64 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1m99 h SER 107 CO 0.01 0.46 0.30 -0.09 -1.14 0.00 0.00 176.83 176.38 1m99 h ARG 108 N 0.83 0.14 -0.00 3.45 2.43 -1.24 -2.81 114.38 117.18 1m99 h ARG 108 Ca 0.36 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1m99 h ARG 108 Cb 0.31 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1m99 h ARG 108 CO -0.13 0.09 -0.23 0.44 -1.51 0.00 0.00 179.97 178.63 1m99 n ILE 109 N -4.45 0.00 0.65 1.20 -5.35 -0.87 -4.65 119.36 105.89 1m99 n ILE 109 Ca 0.07 -0.38 0.08 0.00 -0.27 0.00 0.00 62.75 62.25 1m99 n ILE 109 Cb 0.41 1.06 0.38 0.00 -1.74 0.00 0.00 39.64 39.75 1m99 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1m99 n ALA 110 N -0.62 1.82 -0.07 -1.28 0.00 -0.37 -2.89 120.51 117.10 1m99 n ALA 110 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1m99 n ALA 110 Cb 0.15 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.46 1m99 n ALA 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1m99 n TYR 111 N -1.45 0.39 -2.82 0.00 4.01 -1.26 -0.62 117.16 115.42 1m99 n TYR 111 Ca 0.05 -0.42 -0.29 0.00 -0.16 0.00 0.00 57.90 57.09 1m99 n TYR 111 Cb 0.19 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1m99 n TYR 111 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1m99 s SER 112 N -0.99 6.41 0.37 7.72 0.15 -1.14 -4.70 113.70 121.51 1m99 s SER 112 Ca 0.22 1.00 0.20 0.00 0.70 0.00 0.00 55.95 58.06 1m99 s SER 112 Cb 0.12 -2.27 0.29 0.00 -1.71 0.00 0.00 66.02 62.44 1m99 s SER 112 CO 0.16 -0.45 1.56 0.11 1.20 0.00 0.00 173.24 175.81 1m99 h LYS 113 N 0.87 0.00 -0.90 5.44 6.56 -1.95 -3.23 116.57 123.36 1m99 h LYS 113 Ca -0.47 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.53 1m99 h LYS 113 Cb 1.19 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 32.56 1m99 h LYS 113 CO 0.63 0.26 0.48 -0.25 -2.06 0.00 0.00 179.45 178.50 1m99 n ASP 114 N -3.18 6.09 -0.23 0.86 10.43 -1.26 -4.80 116.55 124.46 1m99 n ASP 114 Ca 0.03 -3.75 0.01 0.00 2.57 0.00 0.00 54.79 53.64 1m99 n ASP 114 Cb 0.61 -0.82 0.08 0.00 1.84 0.00 0.00 41.12 42.83 1m99 n ASP 114 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1m99 h PHE 115 N 1.76 -0.30 -0.77 1.24 3.57 -1.81 -1.87 116.94 118.77 1m99 h PHE 115 Ca 0.54 0.06 0.11 0.00 3.53 0.00 0.00 57.97 62.20 1m99 h PHE 115 Cb 1.37 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 40.27 1m99 h PHE 115 CO 1.34 -0.27 0.40 0.93 -2.23 0.00 0.00 178.31 178.47 1m99 h GLU 116 N 0.02 0.63 -0.41 1.11 4.39 -1.92 0.68 114.58 119.08 1m99 h GLU 116 Ca 0.33 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.88 1m99 h GLU 116 Cb 0.51 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1m99 h GLU 116 CO -0.67 0.42 -0.17 1.15 -1.16 0.00 0.00 179.01 178.58 1m99 h THR 117 N 0.65 1.28 -0.37 1.13 2.02 -1.76 -2.52 112.91 113.34 1m99 h THR 117 Ca 0.39 -1.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.14 1m99 h THR 117 Cb 0.43 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1m99 h THR 117 CO -0.29 0.44 -0.27 -0.07 0.37 0.00 0.00 175.52 175.70 1m99 h LEU 118 N 0.65 0.79 -0.90 2.58 3.38 -0.81 -3.04 115.31 117.96 1m99 h LEU 118 Ca 0.09 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1m99 h LEU 118 Cb 0.72 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1m99 h LEU 118 CO 0.05 1.02 0.57 0.50 0.09 0.00 0.00 178.44 180.67 1m99 h LYS 119 N 0.66 0.99 -0.15 1.13 3.64 0.51 0.39 116.57 123.74 1m99 h LYS 119 Ca 0.08 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1m99 h LYS 119 Cb 0.80 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1m99 h LYS 119 CO 0.07 0.65 0.09 0.28 -2.27 0.00 0.00 179.45 178.27 1m99 h VAL 120 N 1.02 1.06 -0.40 2.00 2.07 -1.34 0.43 116.25 121.10 1m99 h VAL 120 Ca 0.40 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1m99 h VAL 120 Cb 0.20 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1m99 h VAL 120 CO -0.18 0.06 0.27 -0.78 0.02 0.00 0.00 177.57 176.95 1m99 h ASP 121 N 0.18 0.46 -0.03 0.57 1.82 -1.38 -1.86 116.42 116.18 1m99 h ASP 121 Ca 0.05 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1m99 h ASP 121 Cb 0.02 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 1m99 h ASP 121 CO -0.01 0.34 0.01 0.15 -1.61 0.00 0.00 179.24 178.12 1m99 h PHE 122 N 0.54 0.05 0.00 0.28 3.04 -0.53 -2.33 116.94 118.00 1m99 h PHE 122 Ca 0.15 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1m99 h PHE 122 Cb -0.06 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.43 1m99 h PHE 122 CO -0.05 0.21 0.00 1.28 -2.02 0.00 0.00 178.31 177.73 1m99 n LEU 123 N -4.97 0.09 0.04 0.59 4.77 0.15 -1.36 117.00 116.31 1m99 n LEU 123 Ca -0.07 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 1m99 n LEU 123 Cb 0.11 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 1m99 n LEU 123 CO 0.34 -0.42 -0.09 -1.28 -1.33 0.00 0.00 177.39 174.61 1m99 h SER 124 N 0.00 0.05 0.30 -1.43 0.87 -0.77 -3.36 113.55 109.21 1m99 h SER 124 Ca 0.00 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1m99 h SER 124 Cb 0.15 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1m99 h SER 124 CO 0.00 1.06 -1.83 0.29 -0.53 0.00 0.00 176.83 175.82 1m99 n LYS 125 N -3.28 0.65 -0.26 2.24 5.02 -0.46 -4.52 118.16 117.55 1m99 n LYS 125 Ca -0.06 -0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.28 1m99 n LYS 125 Cb 0.98 -1.63 0.20 0.00 -0.02 0.00 0.00 35.03 34.56 1m99 n LYS 125 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1m99 h LEU 126 N 0.00 0.20 -0.90 -0.35 5.85 -1.37 -2.75 115.31 115.99 1m99 h LEU 126 Ca -0.17 0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.85 1m99 h LEU 126 Cb 1.45 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.50 1m99 h LEU 126 CO 0.02 0.05 0.47 -0.65 -0.34 0.00 0.00 178.44 177.99 1m99 h PRO 127 N 0.38 0.59 -0.12 5.25 0.11 -1.79 0.27 132.00 136.69 1m99 h PRO 127 Ca 0.43 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 1m99 h PRO 127 Cb 0.69 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1m99 h PRO 127 CO -0.45 0.39 -0.51 0.93 -0.21 0.00 0.00 178.00 178.15 1m99 h GLU 128 N 0.60 0.34 -0.13 1.05 3.07 -1.80 -0.16 114.58 117.55 1m99 h GLU 128 Ca 0.52 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 59.14 1m99 h GLU 128 Cb 0.82 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1m99 h GLU 128 CO -0.41 0.77 -0.09 0.52 -1.40 0.00 0.00 179.01 178.40 1m99 h MET 129 N 0.26 0.29 -0.73 2.33 2.86 -1.05 -3.11 114.93 115.79 1m99 h MET 129 Ca 0.01 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1m99 h MET 129 Cb 0.99 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1m99 h MET 129 CO 0.08 0.66 0.36 -0.07 1.06 0.00 0.00 176.91 179.00 1m99 h LEU 130 N -0.07 0.94 -1.71 1.22 3.38 -0.42 -2.68 115.31 115.98 1m99 h LEU 130 Ca 0.03 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1m99 h LEU 130 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1m99 h LEU 130 CO 0.02 0.80 0.29 0.50 0.09 0.00 0.00 178.44 180.14 1m99 h LYS 131 N 1.01 0.36 -0.55 1.13 3.64 -1.03 0.65 116.57 121.77 1m99 h LYS 131 Ca 0.25 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1m99 h LYS 131 Cb 0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1m99 h LYS 131 CO -0.03 0.24 0.24 0.52 -2.27 0.00 0.00 179.45 178.14 1m99 h MET 132 N 0.37 0.79 0.10 1.90 2.86 -1.41 0.04 114.93 119.58 1m99 h MET 132 Ca 0.19 -0.11 -0.27 0.00 -2.06 0.00 0.00 59.70 57.45 1m99 h MET 132 Cb 0.28 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.80 1m99 h MET 132 CO -0.04 0.63 -1.18 0.74 1.06 0.00 0.00 176.91 178.12 1m99 h PHE 133 N 0.78 0.60 -0.54 -0.22 -1.00 -1.15 -2.33 116.94 113.08 1m99 h PHE 133 Ca 0.19 -0.40 0.03 0.00 2.81 0.00 0.00 57.97 60.61 1m99 h PHE 133 Cb 0.12 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 1m99 h PHE 133 CO 0.01 1.28 0.31 1.49 -1.61 0.00 0.00 178.31 179.79 1m99 h GLU 134 N 0.13 0.59 -0.15 1.51 4.57 -0.34 -0.62 114.58 120.27 1m99 h GLU 134 Ca -0.13 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 1m99 h GLU 134 Cb 1.87 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.32 1m99 h GLU 134 CO 0.20 0.39 -0.41 -0.44 -1.18 0.00 0.00 179.01 177.57 1m99 h ASP 135 N 0.61 0.35 -0.09 1.04 3.32 -1.04 -2.57 116.42 118.05 1m99 h ASP 135 Ca 0.23 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1m99 h ASP 135 Cb 0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1m99 h ASP 135 CO -0.12 0.73 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.93 1m99 h ARG 136 N 0.28 0.41 -0.28 3.56 9.65 -0.75 -2.93 114.38 124.32 1m99 h ARG 136 Ca 0.03 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1m99 h ARG 136 Cb 0.84 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1m99 h ARG 136 CO 0.07 0.52 0.00 1.28 2.80 0.00 0.00 179.97 184.64 1m99 n LEU 137 N -4.24 2.40 0.20 3.80 4.77 -0.33 -4.35 117.00 119.26 1m99 n LEU 137 Ca 0.00 -1.04 0.05 0.00 -0.03 0.00 0.00 56.01 54.99 1m99 n LEU 137 Cb 0.29 -0.18 0.41 0.00 -2.33 0.00 0.00 43.42 41.61 1m99 n LEU 137 CO 0.39 0.52 0.75 0.00 -1.33 0.00 0.00 177.39 177.72 1m99 n HIS 139 N -3.86 1.16 -3.78 0.00 8.25 -1.26 -5.05 115.22 110.69 1m99 n HIS 139 Ca -0.01 -1.68 -0.13 0.00 -0.26 0.00 0.00 57.72 55.64 1m99 n HIS 139 Cb 0.41 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 1m99 n HIS 139 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1m99 s LYS 140 N -2.82 0.43 -0.02 -0.41 1.02 -1.20 -5.03 119.74 111.71 1m99 s LYS 140 Ca 0.38 0.21 -0.22 0.00 0.02 0.00 0.00 55.97 56.35 1m99 s LYS 140 Cb 0.37 0.20 -0.22 0.00 -0.52 0.00 0.00 37.83 37.66 1m99 s LYS 140 CO -0.05 -0.08 1.10 1.15 -0.92 0.00 0.00 175.35 176.55 1m99 h THR 141 N 4.45 1.48 -2.25 2.17 2.02 -1.85 -3.44 112.91 115.50 1m99 h THR 141 Ca -0.27 -1.89 -0.55 0.00 0.77 0.00 0.00 66.41 64.47 1m99 h THR 141 Cb 1.19 2.58 -0.13 0.00 -1.74 0.00 0.00 68.15 70.04 1m99 h THR 141 CO 0.34 0.53 -0.60 -0.31 0.37 0.00 0.00 175.52 175.85 1m99 s TYR 142 N -3.33 2.24 0.45 3.16 2.02 0.25 -4.95 117.35 117.19 1m99 s TYR 142 Ca -0.15 -0.82 0.20 0.00 -0.37 0.00 0.00 57.07 55.93 1m99 s TYR 142 Cb 0.02 -1.53 1.16 0.00 -0.40 0.00 0.00 41.96 41.21 1m99 s TYR 142 CO 0.77 0.23 1.90 -0.07 -1.57 0.00 0.00 175.55 176.81 1m99 h LEU 143 N 1.94 0.30 -3.07 -1.29 3.38 -1.90 -1.29 115.31 113.39 1m99 h LEU 143 Ca -0.42 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1m99 h LEU 143 Cb 1.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1m99 h LEU 143 CO 0.75 0.14 0.00 -3.20 0.09 0.00 0.00 178.44 176.22 1m99 n ASN 144 N -4.45 3.76 0.00 -0.43 5.15 -1.26 -4.99 115.26 113.04 1m99 n ASN 144 Ca 0.16 -2.43 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 1m99 n ASN 144 Cb 0.65 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 1m99 n ASN 144 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m99 n GLY 145 N 0.40 0.03 0.21 8.20 0.00 -0.49 -4.70 105.19 108.85 1m99 n GLY 145 Ca 0.19 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.58 1m99 n GLY 145 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m99 h ASP 146 N 0.00 0.00 -3.81 1.61 3.45 -1.97 0.74 116.42 116.45 1m99 h ASP 146 Ca 0.00 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.78 1m99 h ASP 146 Cb 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 38.57 1m99 h ASP 146 CO 0.00 0.17 -0.74 -1.00 -1.57 0.00 0.00 179.24 176.10 1m99 s HIS 147 N -3.33 2.79 0.33 4.55 3.76 -1.26 -4.82 115.29 117.31 1m99 s HIS 147 Ca 0.04 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.57 1m99 s HIS 147 Cb 0.07 -1.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.04 1m99 s HIS 147 CO 0.66 0.29 1.36 0.08 -0.85 0.00 0.00 174.74 176.27 1m99 s VAL 148 N -0.86 2.59 0.23 -0.90 1.01 -1.26 -4.52 120.40 116.70 1m99 s VAL 148 Ca 0.14 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1m99 s VAL 148 Cb -0.11 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1m99 s VAL 148 CO 0.03 0.13 -0.01 0.42 0.00 0.00 0.00 175.10 175.68 1m99 s THR 149 N -0.96 1.07 0.55 3.92 -4.23 -1.26 -5.05 115.64 109.68 1m99 s THR 149 Ca 0.51 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 59.23 1m99 s THR 149 Cb -0.41 -2.34 0.32 0.00 1.34 0.00 0.00 72.50 71.41 1m99 s THR 149 CO 0.53 -0.33 2.20 1.12 -0.54 0.00 0.00 174.62 177.59 1m99 h HIS 150 N 2.47 0.00 0.00 3.99 2.07 -1.96 -1.52 115.15 120.20 1m99 h HIS 150 Ca -0.38 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.12 1m99 h HIS 150 Cb 1.22 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.20 1m99 h HIS 150 CO 0.59 0.02 -0.08 -1.35 -3.07 0.00 0.00 177.93 174.04 1m99 h PRO 151 N 0.00 0.00 -0.91 5.12 0.11 -1.95 -1.98 132.00 132.39 1m99 h PRO 151 Ca -0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1m99 h PRO 151 Cb 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.12 1m99 h PRO 151 CO 0.00 0.08 0.60 -0.44 -0.21 0.00 0.00 178.00 178.03 1m99 h ASP 152 N 0.00 1.02 0.81 -2.05 3.32 -1.69 0.24 116.42 118.07 1m99 h ASP 152 Ca -0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 1m99 h ASP 152 Cb 0.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1m99 h ASP 152 CO 0.01 0.72 -0.70 -0.26 -1.72 0.00 0.00 179.24 177.29 1m99 h PHE 153 N 1.19 0.00 -0.05 4.55 0.04 -1.50 -0.87 116.94 120.30 1m99 h PHE 153 Ca 0.35 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 1m99 h PHE 153 Cb -0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1m99 h PHE 153 CO -0.01 0.70 -0.02 0.52 -0.60 0.00 0.00 178.31 178.90 1m99 h MET 154 N 0.00 0.09 -0.51 1.51 2.86 -0.97 -1.36 114.93 116.55 1m99 h MET 154 Ca -0.01 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1m99 h MET 154 Cb 1.29 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.91 1m99 h MET 154 CO 0.09 0.47 0.29 1.25 1.06 0.00 0.00 176.91 180.08 1m99 h LEU 155 N -0.29 0.46 -0.38 1.22 5.85 -0.45 -0.58 115.31 121.13 1m99 h LEU 155 Ca 0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1m99 h LEU 155 Cb 0.44 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1m99 h LEU 155 CO 0.01 0.32 -0.00 0.22 -0.34 0.00 0.00 178.44 178.64 1m99 h TYR 156 N 0.58 -0.03 -0.51 1.25 3.20 -1.07 0.94 116.97 121.33 1m99 h TYR 156 Ca 0.21 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1m99 h TYR 156 Cb 0.06 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1m99 h TYR 156 CO -0.08 -0.08 0.30 0.22 -1.64 0.00 0.00 178.16 176.89 1m99 h ASP 157 N 0.10 0.47 -0.84 -2.11 1.82 -0.56 0.39 116.42 115.69 1m99 h ASP 157 Ca 0.18 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1m99 h ASP 157 Cb 0.26 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 1m99 h ASP 157 CO -0.31 0.33 0.40 0.00 -1.61 0.00 0.00 179.24 178.05 1m99 h ALA 158 N 1.24 1.12 -0.32 -0.78 0.00 -0.17 -1.17 119.26 119.17 1m99 h ALA 158 Ca 0.21 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1m99 h ALA 158 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1m99 h ALA 158 CO -0.11 0.66 -0.43 -0.07 0.00 0.00 0.00 179.25 179.31 1m99 h LEU 159 N 1.20 0.88 -0.79 0.00 3.38 -0.43 -0.63 115.31 118.91 1m99 h LEU 159 Ca 0.29 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1m99 h LEU 159 Cb 0.12 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1m99 h LEU 159 CO -0.04 1.18 0.51 -0.78 0.09 0.00 0.00 178.44 179.40 1m99 h ASP 160 N 0.66 0.84 -0.11 -0.43 3.58 -0.55 -1.61 116.42 118.79 1m99 h ASP 160 Ca 0.05 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1m99 h ASP 160 Cb 1.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1m99 h ASP 160 CO 0.10 0.58 -0.22 0.58 -2.88 0.00 0.00 179.24 177.39 1m99 h VAL 161 N 0.99 1.38 0.00 2.25 2.07 -0.96 -3.15 116.25 118.84 1m99 h VAL 161 Ca 0.32 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1m99 h VAL 161 Cb 0.01 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1m99 h VAL 161 CO -0.11 0.44 -0.07 -0.37 0.02 0.00 0.00 177.57 177.48 1m99 h VAL 162 N -0.07 0.18 -0.03 2.57 -1.51 -1.03 -2.37 116.25 113.99 1m99 h VAL 162 Ca 0.00 -0.64 -0.12 0.00 -1.23 0.00 0.00 66.70 64.71 1m99 h VAL 162 Cb 0.81 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1m99 h VAL 162 CO 0.05 0.06 -0.56 -0.07 -1.23 0.00 0.00 177.57 175.82 1m99 h LEU 163 N 0.00 0.09 -0.55 4.19 3.38 -1.27 0.10 115.31 121.25 1m99 h LEU 163 Ca -0.00 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1m99 h LEU 163 Cb 0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1m99 h LEU 163 CO 0.01 0.63 -0.56 1.88 0.09 0.00 0.00 178.44 180.49 1m99 h TYR 164 N 0.06 0.61 -0.28 1.13 0.05 -1.39 -1.89 116.97 115.25 1m99 h TYR 164 Ca -0.00 -0.22 -0.19 0.00 0.05 0.00 0.00 58.73 58.37 1m99 h TYR 164 Cb 1.02 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1m99 h TYR 164 CO 0.01 0.93 -0.56 1.98 -1.05 0.00 0.00 178.16 179.47 1m99 h MET 165 N 0.37 0.86 -1.75 4.88 4.05 -1.25 -3.42 114.93 118.67 1m99 h MET 165 Ca 0.00 -0.55 -0.20 0.00 -0.28 0.00 0.00 59.70 58.67 1m99 h MET 165 Cb 1.10 0.07 -0.29 0.00 -0.80 0.00 0.00 31.60 31.68 1m99 h MET 165 CO 0.10 1.19 -0.55 0.34 0.23 0.00 0.00 176.91 178.22 1m99 s ASP 166 N -6.96 0.53 0.26 1.39 -1.08 0.32 -5.02 116.67 106.11 1m99 s ASP 166 Ca -0.10 -0.42 0.17 0.00 -0.52 0.00 0.00 52.55 51.67 1m99 s ASP 166 Cb 0.10 1.04 0.90 0.00 -1.46 0.00 0.00 42.92 43.50 1m99 s ASP 166 CO 0.89 -0.36 1.49 -2.65 0.52 0.00 0.00 175.17 175.06 1m99 n PRO 167 N 5.35 0.11 -0.06 4.34 -0.02 -0.72 -1.81 135.00 142.19 1m99 n PRO 167 Ca 0.00 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 1m99 n PRO 167 Cb 0.49 -1.90 0.09 0.00 -0.02 0.00 0.00 33.50 32.17 1m99 n PRO 167 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1m99 n MET 168 N -2.09 1.46 0.00 -0.52 2.81 -1.26 -4.59 117.12 112.94 1m99 n MET 168 Ca -0.01 -1.56 0.03 0.00 -1.81 0.00 0.00 57.70 54.35 1m99 n MET 168 Cb 0.07 -1.28 0.14 0.00 -0.71 0.00 0.00 33.22 31.43 1m99 n MET 168 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1m99 n LEU 170 N -1.52 2.17 -0.18 0.00 4.77 -1.26 -4.63 117.00 116.35 1m99 n LEU 170 Ca 0.01 -0.97 0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1m99 n LEU 170 Cb 0.07 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.84 1m99 n LEU 170 CO 0.06 0.39 1.25 0.44 -1.33 0.00 0.00 177.39 178.20 1m99 h ASP 171 N 2.81 0.09 -0.12 -1.43 5.19 -1.68 0.19 116.42 121.45 1m99 h ASP 171 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1m99 h ASP 171 Cb 0.62 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1m99 h ASP 171 CO 0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1m99 n ALA 172 N -2.67 2.48 -3.55 3.45 0.00 -1.26 -4.61 120.51 114.35 1m99 n ALA 172 Ca 0.18 -0.68 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 1m99 n ALA 172 Cb 0.88 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 19.30 1m99 n ALA 172 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m99 n PHE 173 N 0.99 2.87 -0.24 0.00 3.72 0.66 -4.94 117.46 120.52 1m99 n PHE 173 Ca 0.17 -4.10 0.09 0.00 -0.05 0.00 0.00 57.45 53.55 1m99 n PHE 173 Cb 0.51 -0.51 0.35 0.00 -0.94 0.00 0.00 39.48 38.89 1m99 n PHE 173 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1m99 h PRO 174 N 4.63 0.73 -0.37 -1.08 0.13 -1.82 -1.80 132.00 132.41 1m99 h PRO 174 Ca 0.18 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 1m99 h PRO 174 Cb 0.73 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1m99 h PRO 174 CO 0.74 0.48 -0.03 0.87 -0.23 0.00 0.00 178.00 179.83 1m99 h LYS 175 N 0.75 0.60 -0.10 0.86 1.79 -1.92 -0.98 116.57 117.58 1m99 h LYS 175 Ca 0.39 -0.15 -0.17 0.00 -2.18 0.00 0.00 60.65 58.53 1m99 h LYS 175 Cb 0.49 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1m99 h LYS 175 CO -0.16 0.65 -0.68 -0.07 -1.08 0.00 0.00 179.45 178.11 1m99 h LEU 176 N 0.57 0.48 -0.45 2.94 3.38 -1.70 -0.53 115.31 120.00 1m99 h LEU 176 Ca 0.12 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1m99 h LEU 176 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1m99 h LEU 176 CO 0.02 1.02 0.10 0.58 0.09 0.00 0.00 178.44 180.25 1m99 h VAL 177 N 0.29 1.24 -0.18 1.22 2.07 -0.91 -1.74 116.25 118.24 1m99 h VAL 177 Ca -0.02 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.52 1m99 h VAL 177 Cb 1.24 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1m99 h VAL 177 CO 0.12 0.30 -0.46 0.00 0.02 0.00 0.00 177.57 177.54 1m99 h PHE 179 N 0.37 0.65 -0.70 0.00 3.57 -0.85 0.46 116.94 120.43 1m99 h PHE 179 Ca 0.02 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1m99 h PHE 179 Cb 0.95 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1m99 h PHE 179 CO 0.03 0.48 0.28 -0.22 -2.23 0.00 0.00 178.31 176.66 1m99 h LYS 180 N 0.62 1.05 -0.50 1.11 3.64 -1.19 -1.32 116.57 119.98 1m99 h LYS 180 Ca 0.16 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1m99 h LYS 180 Cb 0.05 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1m99 h LYS 180 CO -0.03 0.87 -0.16 0.87 -2.27 0.00 0.00 179.45 178.73 1m99 h LYS 181 N 1.00 0.98 -0.71 1.90 1.57 -1.10 -2.54 116.57 117.68 1m99 h LYS 181 Ca 0.23 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1m99 h LYS 181 Cb 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1m99 h LYS 181 CO -0.02 1.06 0.45 -0.09 -0.57 0.00 0.00 179.45 180.28 1m99 h ARG 182 N 0.86 0.94 -0.39 3.15 2.43 0.46 0.23 114.38 122.06 1m99 h ARG 182 Ca 0.12 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1m99 h ARG 182 Cb 0.73 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1m99 h ARG 182 CO 0.06 0.64 -0.26 0.82 -1.51 0.00 0.00 179.97 179.71 1m99 h ILE 183 N 0.96 1.28 0.00 1.20 1.08 -1.11 -2.49 117.51 118.43 1m99 h ILE 183 Ca 0.26 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1m99 h ILE 183 Cb -0.08 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1m99 h ILE 183 CO -0.05 0.47 0.00 -0.33 -0.69 0.00 0.00 178.15 177.55 1m99 h GLU 184 N 0.68 0.00 -0.00 2.37 5.08 -0.91 -2.04 114.58 119.76 1m99 h GLU 184 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1m99 h GLU 184 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1m99 h GLU 184 CO 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 179.01 177.94 1m99 n ALA 185 N -1.99 2.72 -2.32 3.43 0.00 -0.01 -3.79 120.51 118.55 1m99 n ALA 185 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1m99 n ALA 185 Cb 0.25 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1m99 n ALA 185 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1m99 s ILE 186 N -2.83 4.10 0.20 0.00 1.01 -0.77 -4.90 121.20 118.01 1m99 s ILE 186 Ca 0.18 1.33 -0.18 0.00 0.00 0.00 0.00 60.65 61.98 1m99 s ILE 186 Cb 0.19 -3.86 0.17 0.00 0.01 0.00 0.00 42.46 38.97 1m99 s ILE 186 CO 0.55 -0.11 1.41 -2.65 0.00 0.00 0.00 174.94 174.13 1m99 n PRO 187 N 6.71 -0.25 -0.36 2.79 -0.02 -1.26 -0.58 135.00 142.04 1m99 n PRO 187 Ca 0.15 1.39 -0.02 0.00 -2.02 0.00 0.00 63.50 63.00 1m99 n PRO 187 Cb 0.44 -2.07 0.11 0.00 -0.02 0.00 0.00 33.50 31.97 1m99 n PRO 187 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1m99 h GLN 188 N 0.00 1.29 -0.03 -0.52 7.50 -1.91 -0.99 115.11 120.44 1m99 h GLN 188 Ca 0.28 -0.10 -0.01 0.00 0.50 0.00 0.00 58.65 59.33 1m99 h GLN 188 Cb 0.51 -0.28 -0.00 0.00 0.05 0.00 0.00 27.48 27.76 1m99 h GLN 188 CO -0.89 0.88 -0.01 0.82 -1.50 0.00 0.00 178.83 178.13 1m99 h ILE 189 N 1.32 1.29 -0.95 2.54 1.08 -1.13 -1.11 117.51 120.55 1m99 h ILE 189 Ca 0.35 -0.89 0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1m99 h ILE 189 Cb -0.10 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 1m99 h ILE 189 CO -0.07 0.24 0.61 -0.78 -0.69 0.00 0.00 178.15 177.46 1m99 h ASP 190 N -0.29 0.99 -0.18 1.72 1.82 -0.80 0.15 116.42 119.83 1m99 h ASP 190 Ca 0.01 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1m99 h ASP 190 Cb 0.39 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1m99 h ASP 190 CO 0.00 0.64 0.04 0.50 -1.61 0.00 0.00 179.24 178.82 1m99 h LYS 191 N 1.13 0.28 -0.58 0.28 3.64 -1.11 -2.62 116.57 117.60 1m99 h LYS 191 Ca 0.40 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1m99 h LYS 191 Cb 0.12 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1m99 h LYS 191 CO -0.16 0.42 0.28 -0.92 -2.27 0.00 0.00 179.45 176.81 1m99 h TYR 192 N 0.09 0.83 0.00 1.91 3.20 -0.54 -1.70 116.97 120.77 1m99 h TYR 192 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1m99 h TYR 192 Cb 0.26 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1m99 h TYR 192 CO 0.01 0.64 0.00 -0.07 -1.64 0.00 0.00 178.16 177.09 1m99 h LEU 193 N 0.79 0.00 -0.88 2.82 3.38 -0.68 -2.24 115.31 118.51 1m99 h LEU 193 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1m99 h LEU 193 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1m99 h LEU 193 CO -0.03 0.00 -0.36 0.29 0.09 0.00 0.00 178.44 178.43 1m99 n LYS 194 N -2.51 1.62 -2.27 1.13 5.02 -0.83 -4.91 118.16 115.41 1m99 n LYS 194 Ca 0.00 -0.81 -0.26 0.00 -2.02 0.00 0.00 58.31 55.22 1m99 n LYS 194 Cb 0.17 -1.30 0.11 0.00 -0.02 0.00 0.00 35.03 33.99 1m99 n LYS 194 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1m99 s SER 195 N -1.98 4.20 0.03 4.39 1.04 -0.70 -4.99 113.70 115.70 1m99 s SER 195 Ca 0.14 0.11 0.26 0.00 0.48 0.00 0.00 55.95 56.94 1m99 s SER 195 Cb 0.13 -0.51 1.09 0.00 0.10 0.00 0.00 66.02 66.84 1m99 s SER 195 CO 0.43 -1.98 1.84 -1.54 0.98 0.00 0.00 173.24 172.96 1m99 n SER 196 N -3.10 0.12 0.10 7.02 3.41 -1.26 -3.33 113.62 116.58 1m99 n SER 196 Ca 0.12 0.51 -0.03 0.00 -0.26 0.00 0.00 58.87 59.22 1m99 n SER 196 Cb 0.60 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1m99 n SER 196 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1m99 h LYS 197 N 0.00 0.00 -6.53 4.33 1.57 -1.94 -3.46 116.57 110.54 1m99 h LYS 197 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1m99 h LYS 197 Cb 0.49 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.84 1m99 h LYS 197 CO 0.00 0.79 1.09 -0.47 -0.57 0.00 0.00 179.45 180.30 1m99 s TYR 198 N -2.91 2.27 -0.47 -1.35 5.04 -1.21 -4.96 117.35 113.77 1m99 s TYR 198 Ca 0.02 0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.59 1m99 s TYR 198 Cb 0.10 -4.17 0.11 0.00 0.35 0.00 0.00 41.96 38.35 1m99 s TYR 198 CO 0.79 -4.76 0.35 0.42 -1.34 0.00 0.00 175.55 171.00 1m99 s ILE 199 N 2.48 4.34 -0.62 3.14 1.01 -1.26 -4.94 121.20 125.34 1m99 s ILE 199 Ca 0.80 -1.69 0.25 0.00 0.00 0.00 0.00 60.65 60.00 1m99 s ILE 199 Cb -0.47 -3.82 0.29 0.00 0.01 0.00 0.00 42.46 38.48 1m99 s ILE 199 CO 0.36 -0.75 1.69 0.00 0.00 0.00 0.00 174.94 176.24 1m99 h ALA 200 N 8.50 0.98 -1.95 9.38 0.00 -1.98 -3.42 119.26 130.77 1m99 h ALA 200 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1m99 h ALA 200 Cb 1.08 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.67 1m99 h ALA 200 CO 0.87 0.00 0.31 -0.46 0.00 0.00 0.00 179.25 179.97 1m99 s TRP 201 N -3.14 -0.55 0.83 0.00 -0.11 -1.26 -4.75 118.94 109.95 1m99 s TRP 201 Ca 0.09 0.89 -0.11 0.00 1.22 0.00 0.00 56.10 58.19 1m99 s TRP 201 Cb 0.10 0.44 0.12 0.00 -1.50 0.00 0.00 33.47 32.62 1m99 s TRP 201 CO 0.63 -0.54 1.17 -1.25 -4.62 0.00 0.00 176.95 172.33 1m99 s PRO 202 N -1.42 1.55 -0.09 5.86 0.04 -1.26 -4.80 135.00 134.88 1m99 s PRO 202 Ca -0.07 -0.27 -0.18 0.00 0.04 0.00 0.00 61.00 60.52 1m99 s PRO 202 Cb -0.00 -2.01 -0.28 0.00 0.04 0.00 0.00 34.50 32.25 1m99 s PRO 202 CO 0.05 -1.77 0.66 -0.07 0.04 0.00 0.00 177.00 175.91 1m99 h LEU 203 N -1.09 0.40 0.00 -3.56 3.38 -1.20 -1.48 115.31 111.76 1m99 h LEU 203 Ca -0.44 -0.88 -0.11 0.00 0.09 0.00 0.00 57.88 56.54 1m99 h LEU 203 Cb 1.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1m99 h LEU 203 CO 0.53 1.55 -0.06 0.00 0.09 0.00 0.00 178.44 180.55 1m99 n GLN 204 N -4.00 1.39 -1.68 1.13 1.13 -0.55 -1.10 117.38 113.70 1m99 n GLN 204 Ca -0.22 -0.65 -0.36 0.00 -1.94 0.00 0.00 57.00 53.84 1m99 n GLN 204 Cb 0.87 0.08 0.07 0.00 0.11 0.00 0.00 30.24 31.37 1m99 n GLN 204 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1m99 s GLY 205 N -1.96 2.61 0.54 1.08 0.00 -1.26 -4.70 107.32 103.62 1m99 s GLY 205 Ca 0.05 1.02 0.29 0.00 0.00 0.00 0.00 44.72 46.08 1m99 s GLY 205 CO 0.03 1.43 1.94 1.49 0.00 0.00 0.00 173.10 177.99 1m99 h TRP 206 N 0.27 0.00 -0.00 1.90 6.55 -1.89 -1.39 115.95 121.40 1m99 h TRP 206 Ca -0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.35 1m99 h TRP 206 Cb 1.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.61 1m99 h TRP 206 CO 0.45 0.00 -0.02 0.00 -1.05 0.00 0.00 178.44 177.82 1m99 n GLN 207 N -4.25 0.48 -1.97 0.49 0.00 -1.26 -0.61 117.38 110.25 1m99 n GLN 207 Ca 0.14 -0.04 -0.40 0.00 0.00 0.00 0.00 57.00 56.70 1m99 n GLN 207 Cb 0.78 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.52 1m99 n GLN 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1m99 s ALA 208 N -2.55 3.35 0.35 2.61 0.00 -0.52 -4.92 121.76 120.08 1m99 s ALA 208 Ca 0.29 1.34 0.12 0.00 0.00 0.00 0.00 51.96 53.71 1m99 s ALA 208 Cb 0.20 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.43 1m99 s ALA 208 CO 0.46 -0.90 1.78 1.15 0.00 0.00 0.00 175.76 178.25 1m99 h THR 209 N 2.62 1.31 -3.38 0.00 2.02 -1.14 -3.27 112.91 111.06 1m99 h THR 209 Ca -0.50 -1.47 -0.59 0.00 0.77 0.00 0.00 66.41 64.62 1m99 h THR 209 Cb 1.25 1.79 -0.33 0.00 -1.74 0.00 0.00 68.15 69.11 1m99 h THR 209 CO 0.63 0.42 -0.85 0.12 0.37 0.00 0.00 175.52 176.21 1m99 s PHE 210 N -4.07 1.98 -0.22 3.16 5.36 -0.73 -4.69 117.98 118.79 1m99 s PHE 210 Ca -0.03 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1m99 s PHE 210 Cb 0.14 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 1m99 s PHE 210 CO 0.74 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 174.56 1m99 n GLY 211 N 3.67 0.55 0.00 13.12 0.00 -1.26 -4.64 105.19 116.63 1m99 n GLY 211 Ca -0.21 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1m99 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m99 n GLY 212 N -2.32 3.01 0.00 -0.02 0.00 -1.23 -0.69 105.19 103.93 1m99 n GLY 212 Ca -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1m99 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m99 n GLY 213 N 5.00 -0.75 0.04 -0.02 0.00 0.22 -4.61 105.19 105.07 1m99 n GLY 213 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1m99 n GLY 213 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m99 n ASP 214 N -1.11 0.63 -3.86 1.61 9.92 -1.26 -4.36 116.55 118.12 1m99 n ASP 214 Ca 0.00 -0.42 -0.12 0.00 -0.53 0.00 0.00 54.79 53.73 1m99 n ASP 214 Cb 0.00 0.30 -0.11 0.00 -0.64 0.00 0.00 41.12 40.66 1m99 n ASP 214 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1m99 s HIS 215 N -2.92 -0.04 -0.78 1.24 3.76 -1.26 -4.83 115.29 110.45 1m99 s HIS 215 Ca 0.13 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1m99 s HIS 215 Cb 0.18 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1m99 s HIS 215 CO 0.69 -0.17 0.20 -2.30 -0.85 0.00 0.00 174.74 172.31