#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqt h MET 1 N 0.00 0.18 -0.01 1.47 2.86 -2.08 -3.31 114.93 114.05 2wqt h MET 1 Ca 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2wqt h MET 1 Cb 0.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2wqt h MET 1 CO 0.00 0.90 -0.07 0.25 1.06 0.00 0.00 176.91 179.05 2wqt n THR 2 N -4.51 0.00 -0.36 2.22 -2.24 -1.26 -4.32 114.28 103.81 2wqt n THR 2 Ca -0.09 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2wqt n THR 2 Cb 0.49 0.44 0.12 0.00 -2.10 0.00 0.00 70.33 69.29 2wqt n THR 2 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wqt h LYS 3 N 1.98 1.19 -0.54 -0.78 3.64 -2.00 0.53 116.57 120.60 2wqt h LYS 3 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2wqt h LYS 3 Cb 0.49 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2wqt h LYS 3 CO 0.00 0.79 0.15 1.25 -2.27 0.00 0.00 179.45 179.37 2wqt h HIS 4 N 1.23 0.88 -0.94 1.91 2.76 -1.81 -1.70 115.15 117.49 2wqt h HIS 4 Ca 0.37 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2wqt h HIS 4 Cb -0.03 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.63 2wqt h HIS 4 CO -0.01 0.76 0.55 1.15 -1.30 0.00 0.00 177.93 179.09 2wqt h THR 5 N 0.75 1.26 -0.31 6.26 2.02 -1.62 -2.11 112.91 119.16 2wqt h THR 5 Ca 0.17 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2wqt h THR 5 Cb 0.30 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2wqt h THR 5 CO -0.00 0.28 0.16 -0.07 0.37 0.00 0.00 175.52 176.26 2wqt h LEU 6 N 1.30 0.39 -0.86 2.58 4.07 -0.58 -0.83 115.31 121.37 2wqt h LEU 6 Ca 0.34 -0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.28 2wqt h LEU 6 Cb -0.04 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.54 2wqt h LEU 6 CO -0.06 0.37 0.52 -0.33 -1.08 0.00 0.00 178.44 177.86 2wqt h GLU 7 N 0.37 0.89 -0.21 1.13 4.39 -1.07 0.33 114.58 120.42 2wqt h GLU 7 Ca 0.11 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2wqt h GLU 7 Cb 0.07 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2wqt h GLU 7 CO -0.02 0.59 0.08 1.96 -1.16 0.00 0.00 179.01 180.47 2wqt h GLN 8 N 0.92 0.32 -0.58 2.33 4.20 -0.85 -1.27 115.11 120.18 2wqt h GLN 8 Ca 0.39 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.94 2wqt h GLN 8 Cb 0.25 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2wqt h GLN 8 CO -0.20 0.38 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.23 2wqt h LEU 9 N 0.19 1.05 -0.66 1.46 3.38 -0.89 -1.15 115.31 118.69 2wqt h LEU 9 Ca 0.07 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2wqt h LEU 9 Cb 0.18 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2wqt h LEU 9 CO -0.01 1.12 0.38 0.00 0.09 0.00 0.00 178.44 180.03 2wqt h ALA 10 N 0.96 0.87 -0.60 1.53 0.00 -0.82 -1.23 119.26 119.98 2wqt h ALA 10 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 10 Cb 0.61 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wqt h ALA 10 CO 0.04 0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.48 2wqt h ALA 11 N 1.32 1.06 -0.65 0.00 0.00 -0.91 -1.70 119.26 118.37 2wqt h ALA 11 Ca 0.28 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wqt h ALA 11 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2wqt h ALA 11 CO -0.15 0.61 0.42 -0.44 0.00 0.00 0.00 179.25 179.69 2wqt h ASP 12 N 0.91 0.72 -0.43 0.00 3.32 -0.59 -0.88 116.42 119.46 2wqt h ASP 12 Ca 0.19 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2wqt h ASP 12 Cb 0.39 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2wqt h ASP 12 CO 0.01 0.51 0.06 -0.07 -1.72 0.00 0.00 179.24 178.03 2wqt h LEU 13 N 0.85 0.75 -0.33 1.55 4.07 -0.98 -0.28 115.31 120.94 2wqt h LEU 13 Ca 0.25 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 2wqt h LEU 13 Cb -0.05 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 2wqt h LEU 13 CO -0.07 0.78 -0.13 0.03 -1.08 0.00 0.00 178.44 177.97 2wqt h ARG 14 N 0.76 0.67 -0.54 1.13 3.08 -0.85 -2.65 114.38 115.98 2wqt h ARG 14 Ca 0.16 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 2wqt h ARG 14 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2wqt h ARG 14 CO 0.01 0.87 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.57 2wqt h ARG 15 N 0.45 1.04 -0.57 0.04 2.43 -1.04 -1.32 114.38 115.41 2wqt h ARG 15 Ca 0.08 -0.39 0.11 0.00 -0.81 0.00 0.00 59.98 58.97 2wqt h ARG 15 Cb 0.65 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 2wqt h ARG 15 CO 0.04 1.08 0.08 0.00 -1.51 0.00 0.00 179.97 179.66 2wqt h ALA 16 N 0.92 0.63 -0.24 2.80 0.00 -0.99 -0.90 119.26 121.48 2wqt h ALA 16 Ca 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2wqt h ALA 16 Cb 0.69 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2wqt h ALA 16 CO 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 179.25 178.92 2wqt h ALA 17 N 1.47 0.33 -0.57 0.00 0.00 -1.10 -1.60 119.26 117.79 2wqt h ALA 17 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2wqt h ALA 17 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2wqt h ALA 17 CO -0.41 0.12 0.38 0.93 0.00 0.00 0.00 179.25 180.26 2wqt h GLU 18 N 0.20 0.64 0.00 0.00 5.08 -0.88 -3.07 114.58 116.56 2wqt h GLU 18 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wqt h GLU 18 Cb 0.50 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2wqt h GLU 18 CO 0.02 0.43 -1.19 1.04 -1.00 0.00 0.00 179.01 178.31 2wqt n GLN 19 N -4.47 0.24 -2.69 2.33 6.02 -0.38 -4.96 117.38 113.48 2wqt n GLN 19 Ca 0.07 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.82 2wqt n GLN 19 Cb 0.13 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 29.87 2wqt n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wqt n GLY 20 N 1.40 -0.41 2.99 1.08 0.00 -0.64 -5.01 105.19 104.61 2wqt n GLY 20 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wqt n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wqt s GLU 21 N -5.30 2.06 0.50 1.61 2.02 -1.00 -5.06 118.70 113.53 2wqt s GLU 21 Ca 0.15 -0.73 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 2wqt s GLU 21 Cb -0.07 -2.29 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 2wqt s GLU 21 CO 0.19 -0.37 1.09 0.00 0.02 0.00 0.00 175.26 176.19 2wqt s ALA 22 N 1.44 2.83 0.44 5.21 0.00 -1.26 -4.44 121.76 125.98 2wqt s ALA 22 Ca 0.01 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.79 2wqt s ALA 22 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2wqt s ALA 22 CO -0.09 -0.54 0.31 0.96 0.00 0.00 0.00 175.76 176.40 2wqt s ILE 23 N -1.81 2.34 0.53 0.00 -4.36 0.10 -4.63 121.20 113.38 2wqt s ILE 23 Ca 0.68 -1.50 -0.19 0.00 -0.26 0.00 0.00 60.65 59.38 2wqt s ILE 23 Cb -0.22 -2.84 -0.06 0.00 1.25 0.00 0.00 42.46 40.59 2wqt s ILE 23 CO 0.25 0.00 1.08 0.00 0.24 0.00 0.00 174.94 176.52 2wqt s ALA 24 N -2.58 2.75 0.45 2.27 0.00 -1.26 -0.30 121.76 123.10 2wqt s ALA 24 Ca 0.43 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 2wqt s ALA 24 Cb -0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 2wqt s ALA 24 CO 0.25 -0.63 1.10 -2.30 0.00 0.00 0.00 175.76 174.18 2wqt n PRO 25 N -1.33 1.48 0.02 0.00 -0.02 -1.26 -4.88 135.00 129.02 2wqt n PRO 25 Ca 0.10 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 2wqt n PRO 25 Cb 0.52 -2.19 0.31 0.00 -0.02 0.00 0.00 33.50 32.12 2wqt n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wqt n LEU 26 N 0.18 0.48 -0.23 2.45 4.32 -1.26 -4.58 117.00 118.35 2wqt n LEU 26 Ca 0.09 0.19 0.02 0.00 -0.02 0.00 0.00 56.01 56.29 2wqt n LEU 26 Cb 0.41 -0.28 0.14 0.00 -1.62 0.00 0.00 43.42 42.06 2wqt n LEU 26 CO 0.56 0.04 1.01 0.08 -1.22 0.00 0.00 177.39 177.86 2wqt h ARG 27 N 0.00 0.44 0.00 3.23 0.11 -1.93 -0.95 114.38 115.29 2wqt h ARG 27 Ca 0.00 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2wqt h ARG 27 Cb 0.58 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2wqt h ARG 27 CO 0.00 0.29 -0.47 -0.44 0.10 0.00 0.00 179.97 179.46 2wqt h ASP 28 N 0.46 0.00 1.33 0.08 3.32 -1.92 0.27 116.42 119.97 2wqt h ASP 28 Ca 0.35 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 2wqt h ASP 28 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2wqt h ASP 28 CO -0.33 0.47 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.09 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.49 -3.34 115.31 116.10 2wqt h LEU 29 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wqt h LEU 29 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 2wqt h LEU 29 CO 0.06 0.49 -1.09 2.30 -1.08 0.00 0.00 178.44 179.12 2wqt n ILE 30 N -3.29 0.00 -0.02 1.22 -5.35 -1.00 -5.10 119.36 105.82 2wqt n ILE 30 Ca 0.01 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2wqt n ILE 30 Cb 0.69 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 2wqt n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wqt n GLY 31 N 1.65 1.17 0.45 3.28 0.00 0.96 -4.54 105.19 108.15 2wqt n GLY 31 Ca -0.00 -1.27 0.27 0.00 0.00 0.00 0.00 46.02 45.01 2wqt n GLY 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wqt h ILE 32 N 0.00 0.50 -1.14 -0.61 2.10 -1.90 -0.44 117.51 116.02 2wqt h ILE 32 Ca 0.00 -0.09 -0.56 0.00 1.08 0.00 0.00 64.86 65.29 2wqt h ILE 32 Cb 0.00 0.22 -0.42 0.00 -1.09 0.00 0.00 36.82 35.53 2wqt h ILE 32 CO 0.00 0.05 -0.78 -0.90 -1.08 0.00 0.00 178.15 175.43 2wqt n ASP 33 N -4.47 4.74 -4.25 2.19 5.75 -1.26 -4.51 116.55 114.73 2wqt n ASP 33 Ca 0.25 -3.70 -0.44 0.00 -0.01 0.00 0.00 54.79 50.89 2wqt n ASP 33 Cb 0.98 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2wqt n ASP 33 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2wqt n ASN 34 N -0.59 5.50 -0.21 -1.12 2.85 -0.18 -4.84 115.26 116.68 2wqt n ASN 34 Ca 0.41 -3.09 -0.06 0.00 -0.11 0.00 0.00 54.58 51.72 2wqt n ASN 34 Cb 0.81 -1.44 0.04 0.00 1.24 0.00 0.00 39.78 40.42 2wqt n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wqt h ALA 35 N 6.46 0.76 -0.78 5.20 0.00 -1.89 -2.75 119.26 126.26 2wqt h ALA 35 Ca 0.27 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2wqt h ALA 35 Cb 0.79 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2wqt h ALA 35 CO 1.25 0.21 0.40 1.49 0.00 0.00 0.00 179.25 182.60 2wqt h GLU 36 N 0.81 0.62 -0.27 0.00 4.81 -2.00 -1.60 114.58 116.96 2wqt h GLU 36 Ca 0.22 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2wqt h GLU 36 Cb -0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2wqt h GLU 36 CO -0.04 0.41 -0.19 0.00 -0.73 0.00 0.00 179.01 178.46 2wqt h ALA 37 N 1.48 0.38 -0.47 2.92 0.00 -1.90 -1.64 119.26 120.03 2wqt h ALA 37 Ca 0.40 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 37 Cb 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2wqt h ALA 37 CO -0.30 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.43 2wqt h ALA 38 N 0.71 0.57 -0.21 0.00 0.00 -1.16 -0.34 119.26 118.83 2wqt h ALA 38 Ca 0.05 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2wqt h ALA 38 Cb 0.73 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wqt h ALA 38 CO 0.05 -0.21 -0.15 1.88 0.00 0.00 0.00 179.25 180.82 2wqt h TYR 39 N 0.36 0.37 -0.54 0.00 -1.99 -1.27 -2.13 116.97 111.77 2wqt h TYR 39 Ca 0.22 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.80 2wqt h TYR 39 Cb 0.21 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 2wqt h TYR 39 CO -0.15 0.49 -0.06 0.00 -0.00 0.00 0.00 178.16 178.44 2wqt h ALA 40 N 1.52 0.87 -0.27 3.88 0.00 -0.33 -0.44 119.26 124.49 2wqt h ALA 40 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2wqt h ALA 40 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wqt h ALA 40 CO 0.03 0.65 0.10 0.82 0.00 0.00 0.00 179.25 180.85 2wqt h ILE 41 N 0.88 1.18 -0.52 0.00 2.04 -0.80 0.16 117.51 120.44 2wqt h ILE 41 Ca 0.15 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.52 2wqt h ILE 41 Cb 0.60 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 2wqt h ILE 41 CO 0.04 0.19 0.21 -0.61 0.00 0.00 0.00 178.15 177.97 2wqt h GLN 42 N 0.29 0.39 -0.42 2.37 4.15 -1.25 -2.54 115.11 118.09 2wqt h GLN 42 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2wqt h GLN 42 Cb 0.19 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2wqt h GLN 42 CO -0.01 0.26 0.24 1.25 -1.93 0.00 0.00 178.83 178.65 2wqt h HIS 43 N 0.40 0.57 -0.44 3.99 2.76 -0.84 -0.55 115.15 121.04 2wqt h HIS 43 Ca 0.25 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2wqt h HIS 43 Cb 0.24 -0.18 -0.09 0.00 1.55 0.00 0.00 27.41 28.93 2wqt h HIS 43 CO -0.15 0.42 -0.15 0.82 -1.30 0.00 0.00 177.93 177.57 2wqt h ILE 44 N 0.55 0.49 -0.22 6.26 1.08 -0.67 0.36 117.51 125.36 2wqt h ILE 44 Ca 0.15 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.49 2wqt h ILE 44 Cb 0.03 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 2wqt h ILE 44 CO -0.03 0.00 -0.42 0.78 -0.69 0.00 0.00 178.15 177.80 2wqt h ASN 45 N -0.05 0.57 -0.31 1.72 2.35 -1.10 -0.49 115.58 118.27 2wqt h ASN 45 Ca 0.21 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2wqt h ASN 45 Cb 0.38 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2wqt h ASN 45 CO -0.48 0.92 0.08 0.58 -1.65 0.00 0.00 177.43 176.88 2wqt h VAL 46 N 0.44 1.22 -0.88 2.81 2.07 -0.77 -2.25 116.25 118.90 2wqt h VAL 46 Ca 0.04 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2wqt h VAL 46 Cb 0.91 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2wqt h VAL 46 CO 0.08 0.24 0.52 -0.61 0.02 0.00 0.00 177.57 177.82 2wqt h GLN 47 N 0.34 1.20 -0.19 1.57 5.75 -0.69 0.02 115.11 123.11 2wqt h GLN 47 Ca 0.10 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2wqt h GLN 47 Cb 0.28 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2wqt h GLN 47 CO 0.00 0.85 0.09 1.25 -2.65 0.00 0.00 178.83 178.37 2wqt h HIS 48 N 1.21 0.28 -0.53 3.99 2.76 -1.04 -2.19 115.15 119.63 2wqt h HIS 48 Ca 0.31 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 2wqt h HIS 48 Cb -0.03 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 2wqt h HIS 48 CO 0.00 0.29 -0.00 -0.44 -1.30 0.00 0.00 177.93 176.48 2wqt h ASP 49 N 0.18 0.86 -0.89 3.26 3.32 -0.99 -2.83 116.42 119.34 2wqt h ASP 49 Ca 0.07 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2wqt h ASP 49 Cb 0.12 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2wqt h ASP 49 CO -0.01 0.93 0.47 0.58 -1.72 0.00 0.00 179.24 179.49 2wqt h VAL 50 N 0.83 1.26 0.00 -1.35 2.07 -0.89 -1.39 116.25 116.78 2wqt h VAL 50 Ca 0.16 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2wqt h VAL 50 Cb 0.49 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2wqt h VAL 50 CO 0.02 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 177.89 2wqt h ALA 51 N 1.26 1.15 -0.52 1.67 0.00 -1.15 0.16 119.26 121.83 2wqt h ALA 51 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2wqt h ALA 51 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wqt h ALA 51 CO -0.05 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.27 2wqt n GLN 52 N -3.32 2.54 -0.60 0.00 6.02 -0.59 -4.94 117.38 116.50 2wqt n GLN 52 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 2wqt n GLN 52 Cb 0.13 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2wqt n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wqt n GLY 53 N 1.19 0.72 3.74 1.08 0.00 0.56 -5.04 105.19 107.43 2wqt n GLY 53 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2wqt n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wqt s ARG 54 N -0.40 4.41 -0.29 1.61 3.52 -0.81 -4.99 118.95 121.99 2wqt s ARG 54 Ca 0.00 2.02 -0.10 0.00 -0.13 0.00 0.00 55.73 57.52 2wqt s ARG 54 Cb 0.00 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2wqt s ARG 54 CO 0.00 -0.21 0.16 0.50 -0.81 0.00 0.00 175.30 174.94 2wqt s ARG 55 N -0.20 3.68 0.09 5.12 3.52 -1.26 -4.27 118.95 125.63 2wqt s ARG 55 Ca 0.56 -0.49 -0.31 0.00 -0.13 0.00 0.00 55.73 55.35 2wqt s ARG 55 Cb -0.36 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 2wqt s ARG 55 CO 0.38 -0.27 1.35 0.08 -0.81 0.00 0.00 175.30 176.03 2wqt s VAL 56 N 1.69 3.49 -0.11 7.11 1.01 -1.26 -0.91 120.40 131.42 2wqt s VAL 56 Ca 0.06 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.13 2wqt s VAL 56 Cb -0.16 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2wqt s VAL 56 CO 0.08 0.07 0.12 1.33 0.00 0.00 0.00 175.10 176.70 2wqt n VAL 57 N 4.02 0.00 -3.22 2.92 0.24 -0.04 -4.86 118.33 117.40 2wqt n VAL 57 Ca 0.11 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2wqt n VAL 57 Cb 0.43 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 2wqt n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wqt n GLY 58 N 1.37 -0.52 3.27 7.63 0.00 -1.22 -0.98 105.19 114.74 2wqt n GLY 58 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2wqt n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wqt s ARG 59 N -1.43 1.13 -0.05 1.61 1.81 -0.82 -1.16 118.95 120.04 2wqt s ARG 59 Ca 0.00 -1.51 0.05 0.00 -1.72 0.00 0.00 55.73 52.55 2wqt s ARG 59 Cb 0.00 -0.57 -0.02 0.00 -0.45 0.00 0.00 34.95 33.91 2wqt s ARG 59 CO 0.00 0.01 -0.21 0.21 -0.68 0.00 0.00 175.30 174.63 2wqt s LYS 60 N -3.80 2.45 -0.18 3.54 2.36 0.01 -1.67 119.74 122.46 2wqt s LYS 60 Ca 0.20 -0.83 -0.08 0.00 -2.55 0.00 0.00 55.97 52.71 2wqt s LYS 60 Cb 0.04 -2.23 -0.04 0.00 -1.05 0.00 0.00 37.83 34.54 2wqt s LYS 60 CO 0.03 0.51 0.10 0.08 1.55 0.00 0.00 175.35 177.61 2wqt s VAL 61 N -0.46 5.10 0.41 4.02 1.01 0.38 -1.21 120.40 129.65 2wqt s VAL 61 Ca 0.05 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2wqt s VAL 61 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2wqt s VAL 61 CO 0.01 0.46 0.04 -0.83 0.00 0.00 0.00 175.10 174.78 2wqt s GLY 62 N 0.26 2.51 -1.17 4.51 0.00 -0.27 -3.50 107.32 109.66 2wqt s GLY 62 Ca 0.06 -1.69 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 2wqt s GLY 62 CO -0.01 -2.00 0.76 1.04 0.00 0.00 0.00 173.10 172.89 2wqt n LEU 63 N -0.94 -3.05 -0.10 0.66 4.77 -1.26 -1.42 117.00 115.66 2wqt n LEU 63 Ca -0.07 -0.97 0.11 0.00 -0.03 0.00 0.00 56.01 55.04 2wqt n LEU 63 Cb 0.67 -2.47 -0.01 0.00 -2.33 0.00 0.00 43.42 39.27 2wqt n LEU 63 CO 0.43 0.43 0.14 0.35 -1.33 0.00 0.00 177.39 177.41 2wqt n THR 64 N -4.13 0.00 -3.13 -5.08 -2.24 -1.26 -4.18 114.28 94.25 2wqt n THR 64 Ca -0.13 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2wqt n THR 64 Cb 0.61 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 2wqt n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wqt s HIS 65 N -2.88 3.32 0.63 4.78 3.76 -1.26 -1.96 115.29 121.68 2wqt s HIS 65 Ca 0.11 0.85 0.37 0.00 -0.15 0.00 0.00 55.06 56.24 2wqt s HIS 65 Cb 0.17 -2.80 2.11 0.00 1.11 0.00 0.00 32.58 33.17 2wqt s HIS 65 CO 0.77 -0.25 2.30 -1.35 -0.85 0.00 0.00 174.74 175.36 2wqt h PRO 66 N 7.71 0.00 0.89 8.40 0.11 -1.89 -1.53 132.00 145.69 2wqt h PRO 66 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2wqt h PRO 66 Cb 1.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wqt h PRO 66 CO 0.77 0.00 -0.43 0.87 -0.21 0.00 0.00 178.00 179.00 2wqt h LYS 67 N 0.00 -1.15 -0.65 1.05 1.57 -1.98 -2.47 116.57 112.94 2wqt h LYS 67 Ca 0.00 0.08 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2wqt h LYS 67 Cb 0.05 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2wqt h LYS 67 CO -0.00 -0.77 0.43 0.28 -0.57 0.00 0.00 179.45 178.83 2wqt h VAL 68 N -1.23 0.89 -0.13 0.50 2.07 -1.76 -1.69 116.25 114.90 2wqt h VAL 68 Ca -0.12 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2wqt h VAL 68 Cb 0.92 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2wqt h VAL 68 CO 0.20 0.08 0.06 1.56 0.02 0.00 0.00 177.57 179.50 2wqt h GLN 69 N 0.46 0.18 -0.04 1.57 4.20 -1.30 -2.96 115.11 117.23 2wqt h GLN 69 Ca 0.30 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2wqt h GLN 69 Cb 0.57 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2wqt h GLN 69 CO -0.09 0.23 0.01 1.96 -0.67 0.00 0.00 178.83 180.26 2wqt h GLN 70 N 0.09 0.06 0.00 1.46 1.08 -0.92 -0.79 115.11 116.09 2wqt h GLN 70 Ca 0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2wqt h GLN 70 Cb 0.10 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2wqt h GLN 70 CO -0.01 0.30 0.01 0.94 -0.95 0.00 0.00 178.83 179.13 2wqt n GLN 71 N -4.93 0.00 0.00 1.46 7.27 -0.69 -1.29 117.38 119.20 2wqt n GLN 71 Ca -0.07 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2wqt n GLN 71 Cb 0.15 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.29 2wqt n GLN 71 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wqt n LEU 72 N -1.06 0.65 0.00 1.69 4.32 -1.01 -5.04 117.00 116.55 2wqt n LEU 72 Ca 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 2wqt n LEU 72 Cb 0.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2wqt n LEU 72 CO 0.00 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 2wqt n GLY 73 N -0.10 0.72 3.35 -0.72 0.00 -0.41 -4.24 105.19 103.79 2wqt n GLY 73 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2wqt n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wqt s VAL 74 N -2.00 0.96 0.00 1.61 -7.23 -0.36 -5.01 120.40 108.37 2wqt s VAL 74 Ca 0.00 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2wqt s VAL 74 Cb 0.00 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.42 2wqt s VAL 74 CO 0.00 -0.17 0.84 -0.90 -0.31 0.00 0.00 175.10 174.56 2wqt n ASP 75 N -0.49 1.64 -4.74 4.85 5.68 -1.26 -3.67 116.55 118.55 2wqt n ASP 75 Ca -0.03 -1.70 -0.30 0.00 -0.50 0.00 0.00 54.79 52.26 2wqt n ASP 75 Cb 0.65 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.56 2wqt n ASP 75 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2wqt s GLN 76 N -0.70 2.73 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.89 2wqt s GLN 76 Ca 0.00 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 2wqt s GLN 76 Cb 0.00 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 2wqt s GLN 76 CO 0.00 0.54 0.00 -0.35 -0.25 0.00 0.00 175.29 175.23 2wqt n PRO 77 N 0.40 2.34 -3.83 2.91 -0.04 -1.26 -4.95 135.00 130.56 2wqt n PRO 77 Ca -0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 2wqt n PRO 77 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 2wqt n PRO 77 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wqt s ASP 78 N -1.00 -0.08 0.05 3.54 3.68 -0.51 -4.97 116.67 117.39 2wqt s ASP 78 Ca 0.00 0.04 0.04 0.00 2.13 0.00 0.00 52.55 54.76 2wqt s ASP 78 Cb 0.00 0.29 -0.03 0.00 -1.45 0.00 0.00 42.92 41.74 2wqt s ASP 78 CO 0.00 -0.27 -0.12 0.72 0.13 0.00 0.00 175.17 175.63 2wqt s PHE 79 N -0.85 1.01 0.24 -5.34 -0.71 -1.26 -1.11 117.98 109.95 2wqt s PHE 79 Ca -0.09 -0.44 0.04 0.00 -1.04 0.00 0.00 56.93 55.39 2wqt s PHE 79 Cb -0.05 -0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 41.13 2wqt s PHE 79 CO 0.01 0.00 -0.00 0.20 -1.34 0.00 0.00 175.22 174.10 2wqt s GLY 80 N -1.54 1.59 -0.13 1.99 0.00 -0.35 -4.37 107.32 104.50 2wqt s GLY 80 Ca -0.04 -1.78 -0.05 0.00 0.00 0.00 0.00 44.72 42.85 2wqt s GLY 80 CO 0.01 -1.67 0.04 -1.59 0.00 0.00 0.00 173.10 169.89 2wqt s THR 81 N -3.41 4.63 -0.12 0.90 2.01 -1.26 -0.81 115.64 117.59 2wqt s THR 81 Ca 0.29 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 2wqt s THR 81 Cb 0.06 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2wqt s THR 81 CO 0.09 0.54 0.05 -0.76 -0.69 0.00 0.00 174.62 173.85 2wqt s LEU 82 N -0.31 3.81 0.09 4.42 1.43 -0.31 -4.91 118.68 122.90 2wqt s LEU 82 Ca 0.08 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2wqt s LEU 82 Cb -0.12 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2wqt s LEU 82 CO 0.02 0.32 -0.11 -0.36 0.23 0.00 0.00 176.35 176.45 2wqt s PHE 83 N -0.53 2.73 0.30 0.29 0.08 -1.26 -0.86 117.98 118.73 2wqt s PHE 83 Ca 0.10 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 57.05 2wqt s PHE 83 Cb -0.12 -1.45 0.79 0.00 -0.57 0.00 0.00 43.02 41.68 2wqt s PHE 83 CO 0.02 0.40 1.69 0.00 -0.10 0.00 0.00 175.22 177.23 2wqt h ALA 84 N 3.79 1.52 0.00 5.36 0.00 -1.35 0.16 119.26 128.73 2wqt h ALA 84 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wqt h ALA 84 Cb 1.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2wqt h ALA 84 CO 0.52 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 2wqt n ASP 85 N -5.06 0.00 -0.01 0.00 5.75 -1.26 -1.96 116.55 114.01 2wqt n ASP 85 Ca 0.24 0.23 0.14 0.00 -0.01 0.00 0.00 54.79 55.39 2wqt n ASP 85 Cb 0.71 -0.37 0.57 0.00 -1.03 0.00 0.00 41.12 41.00 2wqt n ASP 85 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wqt n MET 86 N -1.37 0.09 -3.25 0.11 2.81 0.57 -4.84 117.12 111.23 2wqt n MET 86 Ca 0.06 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.53 2wqt n MET 86 Cb 0.15 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.08 2wqt n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wqt s TYR 88 N 2.34 3.40 0.69 0.00 2.02 0.59 -4.99 117.35 121.40 2wqt s TYR 88 Ca 0.19 0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 57.12 2wqt s TYR 88 Cb -0.15 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2wqt s TYR 88 CO 0.11 0.61 1.07 0.20 -1.57 0.00 0.00 175.55 175.97 2wqt s GLY 89 N -1.31 1.65 0.24 0.71 0.00 -1.26 -1.89 107.32 105.46 2wqt s GLY 89 Ca 0.18 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.44 2wqt s GLY 89 CO 0.08 0.18 1.35 1.34 0.00 0.00 0.00 173.10 176.05 2wqt n ASP 90 N -3.03 2.52 -2.56 1.64 4.64 -0.46 -2.78 116.55 116.52 2wqt n ASP 90 Ca 0.07 1.15 -0.19 0.00 -1.38 0.00 0.00 54.79 54.44 2wqt n ASP 90 Cb 0.55 -1.40 0.03 0.00 -1.04 0.00 0.00 41.12 39.26 2wqt n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 91 N 1.95 -5.39 -4.90 1.67 4.05 0.40 -4.97 115.26 108.08 2wqt n ASN 91 Ca 0.11 -0.25 -0.21 0.00 0.45 0.00 0.00 54.58 54.69 2wqt n ASN 91 Cb 0.31 -4.22 0.07 0.00 1.23 0.00 0.00 39.78 37.16 2wqt n ASN 91 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2wqt s GLU 92 N -5.52 2.18 -0.22 1.20 2.12 -1.12 -4.89 118.70 112.45 2wqt s GLU 92 Ca 0.26 -1.29 -0.08 0.00 0.36 0.00 0.00 54.97 54.22 2wqt s GLU 92 Cb -0.11 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 2wqt s GLU 92 CO 0.32 -0.97 0.07 0.42 -0.54 0.00 0.00 175.26 174.56 2wqt s ILE 93 N -2.81 4.58 -0.21 -3.70 1.01 -1.26 -2.44 121.20 116.36 2wqt s ILE 93 Ca 0.62 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 2wqt s ILE 93 Cb -0.07 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2wqt s ILE 93 CO 0.40 0.39 0.12 -0.63 0.00 0.00 0.00 174.94 175.22 2wqt s ILE 94 N 1.07 5.20 0.12 2.92 1.01 0.50 -4.95 121.20 127.08 2wqt s ILE 94 Ca 0.04 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 2wqt s ILE 94 Cb -0.14 -3.39 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 2wqt s ILE 94 CO 0.03 0.41 1.80 -2.84 0.00 0.00 0.00 174.94 174.34 2wqt s PRO 95 N 0.65 4.15 0.43 2.79 0.02 -1.26 -1.40 135.00 140.37 2wqt s PRO 95 Ca 0.07 2.55 0.13 0.00 0.02 0.00 0.00 61.00 63.77 2wqt s PRO 95 Cb -0.12 -3.58 1.00 0.00 0.02 0.00 0.00 34.50 31.82 2wqt s PRO 95 CO 0.01 -0.82 1.97 0.35 -0.33 0.00 0.00 177.00 178.18 2wqt h PHE 96 N 8.51 0.47 0.00 6.54 3.57 -1.90 -1.69 116.94 132.44 2wqt h PHE 96 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2wqt h PHE 96 Cb 1.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2wqt h PHE 96 CO 0.79 0.23 0.00 -1.13 -2.23 0.00 0.00 178.31 175.96 2wqt n SER 97 N -4.47 0.69 -0.22 0.41 3.41 -1.26 -3.84 113.62 108.34 2wqt n SER 97 Ca 0.10 0.61 -0.02 0.00 -0.26 0.00 0.00 58.87 59.30 2wqt n SER 97 Cb 0.36 -0.78 0.09 0.00 -0.26 0.00 0.00 64.21 63.62 2wqt n SER 97 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2wqt h ARG 98 N 0.00 0.64 -5.15 4.33 9.65 -1.68 -3.42 114.38 118.75 2wqt h ARG 98 Ca 0.00 -0.04 -0.66 0.00 -1.10 0.00 0.00 59.98 58.18 2wqt h ARG 98 Cb 0.54 -0.14 -0.29 0.00 -1.39 0.00 0.00 29.97 28.69 2wqt h ARG 98 CO 0.00 0.42 -0.77 0.08 2.80 0.00 0.00 179.97 182.51 2wqt s VAL 99 N -6.10 2.99 -0.13 0.20 1.01 -1.25 -5.05 120.40 112.06 2wqt s VAL 99 Ca -0.13 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2wqt s VAL 99 Cb 0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2wqt s VAL 99 CO 0.76 0.49 1.11 -0.22 0.00 0.00 0.00 175.10 177.24 2wqt s LEU 100 N 0.95 4.21 -1.01 3.92 2.96 -1.26 -3.87 118.68 124.58 2wqt s LEU 100 Ca -0.02 1.60 -0.10 0.00 -0.22 0.00 0.00 54.13 55.39 2wqt s LEU 100 Cb -0.15 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2wqt s LEU 100 CO -0.01 -0.60 0.81 0.00 -1.32 0.00 0.00 176.35 175.23 2wqt n GLN 101 N 5.68 -1.62 -2.72 1.98 6.02 -1.26 -1.09 117.38 124.37 2wqt n GLN 101 Ca 0.11 0.83 -0.37 0.00 -0.01 0.00 0.00 57.00 57.55 2wqt n GLN 101 Cb 0.47 -4.92 -0.06 0.00 1.02 0.00 0.00 30.24 26.75 2wqt n GLN 101 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wqt s PRO 102 N -4.76 4.56 0.02 -1.09 0.04 -1.25 -4.02 135.00 128.50 2wqt s PRO 102 Ca 0.35 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2wqt s PRO 102 Cb -0.09 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 2wqt s PRO 102 CO 0.80 0.25 -0.06 1.03 0.04 0.00 0.00 177.00 179.05 2wqt s ARG 103 N -1.97 0.48 0.10 4.56 3.00 -0.33 -1.99 118.95 122.79 2wqt s ARG 103 Ca 0.50 -0.44 0.05 0.00 0.00 0.00 0.00 55.73 55.84 2wqt s ARG 103 Cb -0.21 -0.37 -0.04 0.00 0.00 0.00 0.00 34.95 34.33 2wqt s ARG 103 CO 0.26 0.09 -0.02 0.96 0.00 0.00 0.00 175.30 176.59 2wqt s ILE 104 N -0.67 3.86 0.02 1.52 -5.25 -0.78 0.47 121.20 120.37 2wqt s ILE 104 Ca -0.03 -1.07 -0.03 0.00 -0.99 0.00 0.00 60.65 58.53 2wqt s ILE 104 Cb -0.06 -2.84 -0.01 0.00 2.95 0.00 0.00 42.46 42.51 2wqt s ILE 104 CO 0.00 0.11 0.04 -1.83 -1.79 0.00 0.00 174.94 171.47 2wqt s GLU 105 N -2.31 0.45 0.07 0.37 -1.05 -0.50 -1.81 118.70 113.92 2wqt s GLU 105 Ca 0.25 -0.65 -0.17 0.00 -0.15 0.00 0.00 54.97 54.25 2wqt s GLU 105 Cb -0.11 0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 33.68 2wqt s GLU 105 CO 0.17 -0.10 0.52 0.00 0.95 0.00 0.00 175.26 176.81 2wqt s ALA 106 N -1.94 3.62 0.11 -0.84 0.00 -1.26 -0.49 121.76 120.96 2wqt s ALA 106 Ca -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 2wqt s ALA 106 Cb -0.06 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2wqt s ALA 106 CO -0.02 0.43 0.13 -1.21 0.00 0.00 0.00 175.76 175.10 2wqt s GLU 107 N -1.25 0.88 -0.21 0.00 2.02 0.18 -1.02 118.70 119.29 2wqt s GLU 107 Ca 0.29 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 2wqt s GLU 107 Cb -0.18 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 2wqt s GLU 107 CO 0.17 -0.26 0.13 0.42 0.02 0.00 0.00 175.26 175.74 2wqt s ILE 108 N -3.94 5.27 -0.08 -1.63 1.01 -1.26 -0.84 121.20 119.74 2wqt s ILE 108 Ca 0.12 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 2wqt s ILE 108 Cb 0.06 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2wqt s ILE 108 CO -0.06 0.41 0.07 0.00 0.00 0.00 0.00 174.94 175.36 2wqt s ALA 109 N 0.64 3.56 0.04 9.38 0.00 0.30 -1.71 121.76 133.96 2wqt s ALA 109 Ca 0.07 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.35 2wqt s ALA 109 Cb -0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2wqt s ALA 109 CO 0.01 0.62 -0.25 -0.51 0.00 0.00 0.00 175.76 175.63 2wqt s LEU 110 N -1.14 2.24 -0.04 0.00 1.43 -0.05 -1.26 118.68 119.86 2wqt s LEU 110 Ca 0.16 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2wqt s LEU 110 Cb -0.12 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2wqt s LEU 110 CO 0.06 0.26 -0.22 -0.69 0.23 0.00 0.00 176.35 175.99 2wqt s VAL 111 N -0.81 2.41 -0.06 -1.59 1.01 -0.29 -0.53 120.40 120.53 2wqt s VAL 111 Ca 0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2wqt s VAL 111 Cb -0.10 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2wqt s VAL 111 CO 0.02 0.58 0.14 -0.76 0.00 0.00 0.00 175.10 175.09 2wqt s LEU 112 N -0.55 4.28 0.36 3.92 1.43 -1.03 0.83 118.68 127.92 2wqt s LEU 112 Ca 0.08 0.37 0.18 0.00 -1.03 0.00 0.00 54.13 53.73 2wqt s LEU 112 Cb -0.11 -2.29 0.55 0.00 0.03 0.00 0.00 46.19 44.37 2wqt s LEU 112 CO 0.00 0.34 1.67 0.78 0.23 0.00 0.00 176.35 179.37 2wqt h ASN 113 N 4.44 0.00 -5.13 2.29 2.35 -0.90 -1.29 115.58 117.35 2wqt h ASN 113 Ca -0.52 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.19 2wqt h ASN 113 Cb 1.21 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.47 2wqt h ASN 113 CO 0.62 0.39 -0.06 0.00 -1.65 0.00 0.00 177.43 176.73 2wqt s ARG 114 N -3.43 1.30 0.58 0.81 1.70 -1.26 -4.68 118.95 113.96 2wqt s ARG 114 Ca 0.01 -0.93 -0.19 0.00 -0.47 0.00 0.00 55.73 54.15 2wqt s ARG 114 Cb 0.10 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2wqt s ARG 114 CO 0.70 -0.53 1.22 -0.51 -1.08 0.00 0.00 175.30 175.09 2wqt s ASP 115 N -2.89 5.29 -0.65 -2.89 1.01 -1.26 -3.48 116.67 111.79 2wqt s ASP 115 Ca 0.11 2.43 0.05 0.00 0.71 0.00 0.00 52.55 55.84 2wqt s ASP 115 Cb 0.00 -2.60 0.18 0.00 1.01 0.00 0.00 42.92 41.51 2wqt s ASP 115 CO -0.03 -1.53 0.49 0.18 0.21 0.00 0.00 175.17 174.49 2wqt n LEU 116 N -1.42 2.49 0.15 1.23 4.77 -0.41 -4.91 117.00 118.89 2wqt n LEU 116 Ca 0.13 -5.09 0.03 0.00 -0.03 0.00 0.00 56.01 51.05 2wqt n LEU 116 Cb 0.49 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2wqt n LEU 116 CO 0.46 1.80 0.53 1.55 -1.33 0.00 0.00 177.39 180.39 2wqt h PRO 117 N 5.32 0.00 -6.29 3.23 0.13 -1.93 -3.38 132.00 129.08 2wqt h PRO 117 Ca 0.17 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.75 2wqt h PRO 117 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 2wqt h PRO 117 CO 0.67 0.47 0.79 0.00 -0.23 0.00 0.00 178.00 179.70 2wqt s ALA 118 N -3.12 3.56 -1.51 -0.56 0.00 -1.26 -4.82 121.76 114.03 2wqt s ALA 118 Ca 0.03 0.65 0.26 0.00 0.00 0.00 0.00 51.96 52.90 2wqt s ALA 118 Cb 0.08 -3.56 1.34 0.00 0.00 0.00 0.00 23.12 20.98 2wqt s ALA 118 CO 0.73 -0.91 1.88 0.25 0.00 0.00 0.00 175.76 177.71 2wqt n THR 119 N 4.83 0.15 -1.77 0.00 -2.24 -1.26 -2.93 114.28 111.06 2wqt n THR 119 Ca 0.12 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 2wqt n THR 119 Cb 0.45 -0.61 0.17 0.00 -2.10 0.00 0.00 70.33 68.24 2wqt n THR 119 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wqt n ASP 120 N -1.24 1.58 -4.66 3.42 3.85 -1.26 -4.78 116.55 113.45 2wqt n ASP 120 Ca 0.13 -3.54 -0.44 0.00 -0.71 0.00 0.00 54.79 50.24 2wqt n ASP 120 Cb 0.19 -0.48 -0.02 0.00 -1.35 0.00 0.00 41.12 39.46 2wqt n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wqt n ILE 121 N -0.81 1.54 -3.97 2.12 3.06 -1.15 -4.99 119.36 115.17 2wqt n ILE 121 Ca 0.16 -0.39 -0.22 0.00 -2.50 0.00 0.00 62.75 59.81 2wqt n ILE 121 Cb 0.78 -1.37 -0.02 0.00 0.54 0.00 0.00 39.64 39.57 2wqt n ILE 121 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wqt s THR 122 N -0.65 5.26 0.26 9.51 -4.23 -1.26 -4.98 115.64 119.55 2wqt s THR 122 Ca 0.62 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 2wqt s THR 122 Cb -0.64 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 69.66 2wqt s THR 122 CO 0.57 -0.27 1.64 0.15 -0.54 0.00 0.00 174.62 176.16 2wqt h PHE 123 N 1.41 0.03 -0.20 3.99 3.57 -1.94 -0.74 116.94 123.07 2wqt h PHE 123 Ca -0.51 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 2wqt h PHE 123 Cb 1.22 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2wqt h PHE 123 CO 0.47 -0.24 -0.34 0.38 -2.23 0.00 0.00 178.31 176.35 2wqt h ASP 124 N 0.12 0.43 0.01 0.41 2.03 -2.00 -2.69 116.42 114.73 2wqt h ASP 124 Ca 0.45 -0.16 -0.13 0.00 -0.73 0.00 0.00 57.03 56.46 2wqt h ASP 124 Cb 0.82 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 2wqt h ASP 124 CO -0.67 0.74 -0.40 -0.33 -1.03 0.00 0.00 179.24 177.55 2wqt h GLU 125 N 0.35 0.50 -0.64 4.15 5.08 -1.57 -2.80 114.58 119.64 2wqt h GLU 125 Ca 0.04 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2wqt h GLU 125 Cb 0.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2wqt h GLU 125 CO 0.06 0.81 0.15 1.25 -1.00 0.00 0.00 179.01 180.29 2wqt h LEU 126 N 0.41 0.96 -0.70 1.33 5.85 -1.08 -2.88 115.31 119.21 2wqt h LEU 126 Ca 0.04 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.71 2wqt h LEU 126 Cb 0.87 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 2wqt h LEU 126 CO 0.07 0.93 0.17 1.88 -0.34 0.00 0.00 178.44 181.15 2wqt h TYR 127 N 0.97 0.27 0.00 1.25 0.05 -1.21 0.51 116.97 118.81 2wqt h TYR 127 Ca 0.20 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.03 2wqt h TYR 127 Cb 0.35 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2wqt h TYR 127 CO 0.02 -0.06 0.00 -1.71 -1.05 0.00 0.00 178.16 175.36 2wqt n ASN 128 N -5.14 0.29 -0.35 3.88 2.85 -1.09 -2.75 115.26 112.95 2wqt n ASN 128 Ca 0.13 0.58 0.11 0.00 -0.11 0.00 0.00 54.58 55.29 2wqt n ASN 128 Cb 0.42 -0.64 0.09 0.00 1.24 0.00 0.00 39.78 40.89 2wqt n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wqt n ALA 129 N -1.62 3.59 -2.66 5.20 0.00 0.16 -4.89 120.51 120.28 2wqt n ALA 129 Ca 0.03 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 2wqt n ALA 129 Cb 0.18 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2wqt n ALA 129 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wqt s ILE 130 N -2.57 4.87 -0.19 0.00 1.01 -1.11 -0.24 121.20 122.97 2wqt s ILE 130 Ca 0.18 1.62 -0.19 0.00 0.00 0.00 0.00 60.65 62.27 2wqt s ILE 130 Cb 0.18 -4.14 -0.16 0.00 0.01 0.00 0.00 42.46 38.36 2wqt s ILE 130 CO 0.60 -0.00 0.14 -0.08 0.00 0.00 0.00 174.94 175.60 2wqt h GLU 131 N 7.41 0.00 -4.88 2.79 4.81 0.15 -3.44 114.58 121.42 2wqt h GLU 131 Ca -0.28 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.60 2wqt h GLU 131 Cb 1.12 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.27 2wqt h GLU 131 CO 0.85 0.77 -0.76 -1.58 -0.73 0.00 0.00 179.01 177.56 2wqt s TRP 132 N -2.32 0.90 -0.10 0.92 0.52 -1.07 -4.58 118.94 113.21 2wqt s TRP 132 Ca -0.25 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.52 2wqt s TRP 132 Cb 0.05 -0.53 -0.00 0.00 -1.15 0.00 0.00 33.47 31.84 2wqt s TRP 132 CO 0.51 -0.01 -0.24 0.54 0.02 0.00 0.00 176.95 177.76 2wqt s VAL 133 N -1.02 2.06 0.04 4.03 0.11 0.17 -1.14 120.40 124.66 2wqt s VAL 133 Ca -0.03 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 57.98 2wqt s VAL 133 Cb -0.08 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 2wqt s VAL 133 CO 0.01 0.56 -0.00 -1.48 -3.33 0.00 0.00 175.10 170.86 2wqt s LEU 134 N 0.31 2.23 0.34 2.54 2.34 -0.39 -1.72 118.68 124.34 2wqt s LEU 134 Ca -0.18 -0.69 -0.26 0.00 0.06 0.00 0.00 54.13 53.06 2wqt s LEU 134 Cb -0.18 0.25 -0.10 0.00 -0.56 0.00 0.00 46.19 45.61 2wqt s LEU 134 CO 0.09 -0.46 1.00 -2.16 -1.06 0.00 0.00 176.35 173.75 2wqt s PRO 135 N -2.63 4.47 0.04 1.48 0.04 -1.26 -0.54 135.00 136.59 2wqt s PRO 135 Ca -0.05 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2wqt s PRO 135 Cb -0.01 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 2wqt s PRO 135 CO -0.05 0.15 -0.01 0.00 0.04 0.00 0.00 177.00 177.12 2wqt s ALA 136 N -1.56 0.26 -0.08 8.56 0.00 -0.02 -0.96 121.76 127.97 2wqt s ALA 136 Ca 0.52 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.63 2wqt s ALA 136 Cb -0.22 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2wqt s ALA 136 CO 0.27 -0.27 -0.09 -0.51 0.00 0.00 0.00 175.76 175.16 2wqt s LEU 137 N -2.18 3.01 -0.21 0.00 1.43 0.06 -0.64 118.68 120.15 2wqt s LEU 137 Ca -0.05 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2wqt s LEU 137 Cb -0.01 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2wqt s LEU 137 CO -0.05 0.32 -0.06 -0.70 0.23 0.00 0.00 176.35 176.09 2wqt s GLU 138 N -0.58 3.39 -0.70 1.70 2.12 0.36 -0.82 118.70 124.16 2wqt s GLU 138 Ca 0.09 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 2wqt s GLU 138 Cb -0.12 -2.95 0.11 0.00 0.26 0.00 0.00 34.13 31.44 2wqt s GLU 138 CO 0.02 -0.13 0.86 0.08 -0.54 0.00 0.00 175.26 175.55 2wqt s VAL 139 N 1.28 4.77 0.51 3.70 1.01 0.16 -1.40 120.40 130.44 2wqt s VAL 139 Ca 0.03 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 2wqt s VAL 139 Cb -0.14 -4.59 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 2wqt s VAL 139 CO -0.02 -1.27 0.96 0.68 0.00 0.00 0.00 175.10 175.44 2wqt s VAL 140 N 2.74 4.60 0.11 2.92 -7.23 0.18 -1.71 120.40 122.01 2wqt s VAL 140 Ca 0.19 1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 61.37 2wqt s VAL 140 Cb -0.17 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2wqt s VAL 140 CO 0.02 -0.74 0.12 -0.83 -0.31 0.00 0.00 175.10 173.37 2wqt s GLY 141 N -3.27 0.55 -0.08 2.32 0.00 -0.35 -1.19 107.32 105.31 2wqt s GLY 141 Ca 0.57 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 44.23 2wqt s GLY 141 CO 0.35 -1.10 -0.13 -0.45 0.00 0.00 0.00 173.10 171.77 2wqt s SER 142 N -2.96 1.97 0.00 1.64 0.15 -0.25 -4.23 113.70 110.02 2wqt s SER 142 Ca 0.14 -0.33 0.29 0.00 0.70 0.00 0.00 55.95 56.76 2wqt s SER 142 Cb 0.06 -0.89 1.41 0.00 -1.71 0.00 0.00 66.02 64.88 2wqt s SER 142 CO -0.04 0.02 1.94 0.54 1.20 0.00 0.00 173.24 176.90 2wqt n ARG 143 N 3.96 1.37 -4.19 5.44 3.00 -1.26 -4.52 116.66 120.46 2wqt n ARG 143 Ca -0.21 -0.54 -0.34 0.00 -0.01 0.00 0.00 57.85 56.75 2wqt n ARG 143 Cb 0.52 -1.48 -0.11 0.00 0.00 0.00 0.00 32.46 31.39 2wqt n ARG 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2wqt s ILE 144 N -1.99 4.41 -0.15 0.55 1.01 -1.26 -0.72 121.20 123.05 2wqt s ILE 144 Ca 0.42 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2wqt s ILE 144 Cb 0.21 -2.95 -0.13 0.00 0.01 0.00 0.00 42.46 39.59 2wqt s ILE 144 CO 0.34 0.49 0.87 -1.14 0.00 0.00 0.00 174.94 175.50 2wqt n ARG 145 N 3.37 0.00 -2.91 2.79 0.63 0.59 -2.78 116.66 118.34 2wqt n ARG 145 Ca -0.17 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.59 2wqt n ARG 145 Cb 0.52 -1.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.43 2wqt n ARG 145 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wqt n ASP 146 N 1.73 -3.44 -1.91 6.15 8.00 -1.26 -1.10 116.55 124.72 2wqt n ASP 146 Ca 0.17 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2wqt n ASP 146 Cb 0.01 -2.90 -0.03 0.00 -0.02 0.00 0.00 41.12 38.18 2wqt n ASP 146 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2wqt n TRP 147 N -3.55 -0.89 -2.47 1.24 7.02 -1.12 -4.85 117.44 112.81 2wqt n TRP 147 Ca -0.06 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.02 2wqt n TRP 147 Cb 0.56 -2.68 -0.02 0.00 -2.42 0.00 0.00 31.31 26.76 2wqt n TRP 147 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wqt s SER 148 N -2.06 6.37 -0.07 -0.99 0.15 -0.26 -4.93 113.70 111.91 2wqt s SER 148 Ca 0.00 -1.87 0.04 0.00 0.70 0.00 0.00 55.95 54.83 2wqt s SER 148 Cb 0.00 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2wqt s SER 148 CO 0.00 -1.64 -0.20 -0.51 1.20 0.00 0.00 173.24 172.09 2wqt s ILE 149 N 5.77 1.71 0.45 6.45 1.10 -1.26 -4.79 121.20 130.63 2wqt s ILE 149 Ca 0.54 -0.84 0.07 0.00 -0.51 0.00 0.00 60.65 59.91 2wqt s ILE 149 Cb 0.01 -1.48 -0.01 0.00 0.15 0.00 0.00 42.46 41.13 2wqt s ILE 149 CO 0.02 0.48 0.31 -1.10 -2.11 0.00 0.00 174.94 172.54 2wqt s GLN 150 N 0.23 2.34 0.18 3.50 -1.52 -1.26 -4.98 119.66 118.15 2wqt s GLN 150 Ca -0.11 -1.80 -0.23 0.00 -1.95 0.00 0.00 55.36 51.27 2wqt s GLN 150 Cb -0.15 -2.15 0.08 0.00 -0.22 0.00 0.00 33.01 30.58 2wqt s GLN 150 CO 0.05 -0.29 1.58 0.35 -0.25 0.00 0.00 175.29 176.72 2wqt h PHE 151 N 1.09 -1.11 -0.33 0.91 3.57 -1.89 -0.01 116.94 119.17 2wqt h PHE 151 Ca -0.41 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2wqt h PHE 151 Cb 1.27 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 2wqt h PHE 151 CO 0.70 -0.40 0.21 0.28 -2.23 0.00 0.00 178.31 176.87 2wqt h VAL 152 N -0.19 1.09 -0.09 1.41 2.07 -1.93 -2.05 116.25 116.56 2wqt h VAL 152 Ca 0.21 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2wqt h VAL 152 Cb 0.56 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2wqt h VAL 152 CO -0.69 0.09 -0.02 0.44 0.02 0.00 0.00 177.57 177.40 2wqt h ASP 153 N 0.45 0.18 0.14 0.57 3.32 -1.40 -2.82 116.42 116.87 2wqt h ASP 153 Ca 0.12 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 2wqt h ASP 153 Cb -0.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2wqt h ASP 153 CO -0.02 0.51 -0.07 0.74 -1.72 0.00 0.00 179.24 178.68 2wqt h THR 154 N -0.15 0.91 -0.22 0.35 2.02 -1.07 -2.17 112.91 112.58 2wqt h THR 154 Ca 0.02 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.06 2wqt h THR 154 Cb 0.44 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 2wqt h THR 154 CO 0.01 0.05 -0.12 0.58 0.37 0.00 0.00 175.52 176.41 2wqt h VAL 155 N -0.28 0.64 -0.90 3.16 2.07 -1.45 0.26 116.25 119.74 2wqt h VAL 155 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2wqt h VAL 155 Cb 0.22 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2wqt h VAL 155 CO 0.03 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.17 2wqt h ALA 156 N 1.09 1.30 -0.11 1.67 0.00 -1.50 -1.78 119.26 119.94 2wqt h ALA 156 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 156 Cb 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2wqt h ALA 156 CO -0.28 0.21 0.08 -3.47 0.00 0.00 0.00 179.25 175.79 2wqt n ASP 157 N -4.66 4.13 -3.73 0.00 4.64 -0.07 -3.75 116.55 113.12 2wqt n ASP 157 Ca 0.15 -2.33 -0.24 0.00 -1.38 0.00 0.00 54.79 50.99 2wqt n ASP 157 Cb 0.27 -0.78 0.04 0.00 -1.04 0.00 0.00 41.12 39.61 2wqt n ASP 157 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 158 N 0.71 -2.99 -3.67 1.67 5.15 -0.67 -1.86 115.26 113.60 2wqt n ASN 158 Ca 0.06 -0.76 -0.28 0.00 -0.60 0.00 0.00 54.58 53.01 2wqt n ASN 158 Cb 0.58 -4.22 0.00 0.00 -0.53 0.00 0.00 39.78 35.62 2wqt n ASN 158 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wqt n ALA 159 N -4.47 -1.15 -3.97 5.20 0.00 0.71 -1.81 120.51 115.02 2wqt n ALA 159 Ca -0.16 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 2wqt n ALA 159 Cb 0.62 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.55 2wqt n ALA 159 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wqt n SER 160 N -2.53 -2.98 -4.78 0.00 7.64 -0.78 -4.87 113.62 105.32 2wqt n SER 160 Ca 0.02 -0.89 -0.36 0.00 1.01 0.00 0.00 58.87 58.64 2wqt n SER 160 Cb 0.53 -3.46 -0.03 0.00 -1.01 0.00 0.00 64.21 60.24 2wqt n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqt n GLY 162 N 0.28 0.64 3.22 0.00 0.00 -0.99 -4.13 105.19 104.21 2wqt n GLY 162 Ca 0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2wqt n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wqt s VAL 163 N 0.09 0.09 0.05 1.61 -7.23 -0.69 -4.88 120.40 109.43 2wqt s VAL 163 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2wqt s VAL 163 Cb 0.00 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 2wqt s VAL 163 CO 0.00 0.00 -0.04 -0.72 -0.31 0.00 0.00 175.10 174.03 2wqt s TYR 164 N -4.06 0.49 -0.02 2.82 1.13 -0.10 -0.66 117.35 116.94 2wqt s TYR 164 Ca 0.39 -0.87 0.04 0.00 -1.41 0.00 0.00 57.07 55.21 2wqt s TYR 164 Cb 0.07 -0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 2wqt s TYR 164 CO 0.13 -0.29 -0.14 0.54 -2.51 0.00 0.00 175.55 173.28 2wqt s VAL 165 N -3.07 1.16 -0.10 -3.49 0.11 -0.00 -0.30 120.40 114.70 2wqt s VAL 165 Ca 0.00 -0.59 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2wqt s VAL 165 Cb 0.02 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2wqt s VAL 165 CO -0.06 0.34 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.33 2wqt s ILE 166 N -0.09 3.59 0.00 7.04 1.01 -0.79 -0.76 121.20 131.19 2wqt s ILE 166 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2wqt s ILE 166 Cb -0.08 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2wqt s ILE 166 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2wqt n GLY 167 N 2.80 3.72 3.81 6.18 0.00 -0.13 -1.36 105.19 120.22 2wqt n GLY 167 Ca -0.18 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 2wqt n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wqt s GLY 168 N 0.00 -0.05 0.66 -0.02 0.00 -1.11 -4.69 107.32 102.11 2wqt s GLY 168 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 2wqt s GLY 168 CO 0.00 1.02 1.06 -4.14 0.00 0.00 0.00 173.10 171.04 2wqt s PRO 169 N -2.72 3.03 0.06 2.90 0.02 -1.26 -1.59 135.00 135.45 2wqt s PRO 169 Ca 0.17 1.05 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 2wqt s PRO 169 Cb -0.02 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 2wqt s PRO 169 CO 0.04 -1.03 1.11 0.00 -0.33 0.00 0.00 177.00 176.80 2wqt s ALA 170 N -2.84 3.32 0.09 -1.55 0.00 -1.26 -4.66 121.76 114.86 2wqt s ALA 170 Ca 0.60 0.75 0.10 0.00 0.00 0.00 0.00 51.96 53.40 2wqt s ALA 170 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2wqt s ALA 170 CO 0.49 -0.33 -0.23 -0.65 0.00 0.00 0.00 175.76 175.04 2wqt s GLN 171 N 0.78 1.68 0.34 0.00 -1.52 -0.70 -4.97 119.66 115.27 2wqt s GLN 171 Ca 0.55 -1.20 -0.17 0.00 -1.95 0.00 0.00 55.36 52.59 2wqt s GLN 171 Cb -0.27 -2.01 -0.09 0.00 -0.22 0.00 0.00 33.01 30.41 2wqt s GLN 171 CO 0.30 0.48 0.78 1.03 -0.25 0.00 0.00 175.29 177.64 2wqt s ARG 172 N -1.81 4.07 0.38 2.91 1.81 -1.26 -0.65 118.95 124.40 2wqt s ARG 172 Ca 0.15 0.78 0.17 0.00 -1.72 0.00 0.00 55.73 55.11 2wqt s ARG 172 Cb -0.10 -2.40 0.77 0.00 -0.45 0.00 0.00 34.95 32.78 2wqt s ARG 172 CO 0.06 0.13 1.80 -1.00 -0.68 0.00 0.00 175.30 175.61 2wqt h PRO 173 N 2.23 0.00 -6.35 3.54 0.13 -1.85 -3.41 132.00 126.29 2wqt h PRO 173 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 2wqt h PRO 173 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2wqt h PRO 173 CO 0.64 0.36 1.17 0.00 -0.23 0.00 0.00 178.00 179.94 2wqt n ALA 174 N -2.36 1.40 0.00 -0.56 0.00 -1.26 -1.73 120.51 116.00 2wqt n ALA 174 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wqt n ALA 174 Cb 0.45 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2wqt n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqt n GLY 175 N 4.44 2.51 3.73 0.00 0.00 -1.26 -5.02 105.19 109.60 2wqt n GLY 175 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2wqt n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wqt s LEU 176 N 0.00 4.41 -0.60 0.99 1.43 -0.70 -4.98 118.68 119.23 2wqt s LEU 176 Ca 0.00 2.37 -0.24 0.00 -1.03 0.00 0.00 54.13 55.23 2wqt s LEU 176 Cb 0.00 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.66 2wqt s LEU 176 CO 0.00 -0.53 0.97 -0.62 0.23 0.00 0.00 176.35 176.39 2wqt s ASP 177 N 0.46 6.28 0.05 2.29 3.68 -1.26 -4.87 116.67 123.29 2wqt s ASP 177 Ca 0.58 -0.56 0.23 0.00 2.13 0.00 0.00 52.55 54.93 2wqt s ASP 177 Cb -0.36 -2.44 0.02 0.00 -1.45 0.00 0.00 42.92 38.69 2wqt s ASP 177 CO 0.37 -1.33 0.99 0.18 0.13 0.00 0.00 175.17 175.51 2wqt n LEU 178 N 7.65 0.60 -0.07 -1.34 4.77 -1.26 -4.28 117.00 123.07 2wqt n LEU 178 Ca 0.00 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 2wqt n LEU 178 Cb 0.47 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 2wqt n LEU 178 CO 0.64 0.04 -0.24 0.50 -1.33 0.00 0.00 177.39 177.00 2wqt h LYS 179 N 0.00 0.06 -0.93 3.23 3.64 -1.92 -3.40 116.57 117.25 2wqt h LYS 179 Ca 0.00 -0.10 -0.61 0.00 -1.27 0.00 0.00 60.65 58.66 2wqt h LYS 179 Cb 0.75 0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 32.31 2wqt h LYS 179 CO 0.00 1.05 0.58 0.09 -2.27 0.00 0.00 179.45 178.90 2wqt n ASN 180 N -4.35 6.47 -4.48 4.20 4.13 -1.26 -2.17 115.26 117.80 2wqt n ASN 180 Ca -0.24 -3.76 -0.43 0.00 1.68 0.00 0.00 54.58 51.83 2wqt n ASN 180 Cb 0.68 -0.86 -0.04 0.00 -1.54 0.00 0.00 39.78 38.02 2wqt n ASN 180 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wqt s ALA 182 N 3.71 3.18 -0.06 0.00 0.00 -1.26 -2.51 121.76 124.82 2wqt s ALA 182 Ca 0.24 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.29 2wqt s ALA 182 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2wqt s ALA 182 CO 0.14 -0.64 -0.15 1.41 0.00 0.00 0.00 175.76 176.52 2wqt s MET 183 N -2.28 1.89 -0.04 0.00 0.00 0.03 -0.60 119.30 118.29 2wqt s MET 183 Ca 0.57 -0.53 0.06 0.00 0.00 0.00 0.00 55.69 55.79 2wqt s MET 183 Cb -0.33 -1.55 -0.01 0.00 0.00 0.00 0.00 34.83 32.93 2wqt s MET 183 CO 0.42 0.11 -0.22 0.15 0.00 0.00 0.00 175.02 175.47 2wqt s LYS 184 N 0.44 2.16 -0.05 4.11 -0.14 -0.85 -2.11 119.74 123.30 2wqt s LYS 184 Ca -0.12 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.73 2wqt s LYS 184 Cb -0.15 -1.90 -0.00 0.00 -1.68 0.00 0.00 37.83 34.10 2wqt s LYS 184 CO 0.04 0.37 -0.18 1.41 -0.76 0.00 0.00 175.35 176.23 2wqt s MET 185 N -0.20 2.02 0.05 1.68 1.75 -0.17 -0.50 119.30 123.93 2wqt s MET 185 Ca -0.00 -0.66 0.05 0.00 -1.25 0.00 0.00 55.69 53.83 2wqt s MET 185 Cb -0.12 -1.70 -0.04 0.00 2.84 0.00 0.00 34.83 35.81 2wqt s MET 185 CO 0.02 0.23 -0.09 0.95 -0.65 0.00 0.00 175.02 175.48 2wqt s THR 186 N 0.12 3.45 -0.15 10.11 -4.23 0.13 -0.83 115.64 124.23 2wqt s THR 186 Ca -0.07 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2wqt s THR 186 Cb -0.13 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 2wqt s THR 186 CO 0.03 0.27 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.69 2wqt s ARG 187 N -1.74 3.41 -1.65 3.99 3.52 -0.30 -1.95 118.95 124.22 2wqt s ARG 187 Ca 0.19 -0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 55.04 2wqt s ARG 187 Cb -0.11 -2.75 0.09 0.00 -1.56 0.00 0.00 34.95 30.61 2wqt s ARG 187 CO 0.10 0.11 0.31 0.09 -0.81 0.00 0.00 175.30 175.10 2wqt n ASN 188 N 3.84 -0.44 0.00 -2.12 3.02 -0.04 -1.68 115.26 117.84 2wqt n ASN 188 Ca -0.18 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2wqt n ASN 188 Cb 0.52 -1.88 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 2wqt n ASN 188 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wqt n ASN 189 N -2.75 -2.78 -4.10 6.41 3.02 -1.26 -5.04 115.26 108.75 2wqt n ASN 189 Ca -0.15 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.17 2wqt n ASN 189 Cb 0.60 -0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 39.13 2wqt n ASN 189 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2wqt s GLU 190 N -0.02 1.13 0.19 3.52 -1.05 -0.68 -5.02 118.70 116.77 2wqt s GLU 190 Ca 0.00 -0.49 -0.32 0.00 -0.15 0.00 0.00 54.97 54.01 2wqt s GLU 190 Cb 0.00 -1.09 -0.12 0.00 -0.44 0.00 0.00 34.13 32.48 2wqt s GLU 190 CO 0.00 0.30 1.73 -1.91 0.95 0.00 0.00 175.26 176.33 2wqt n GLU 191 N 2.75 2.74 0.00 -4.83 2.13 -1.26 -1.15 120.64 121.01 2wqt n GLU 191 Ca -0.14 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2wqt n GLU 191 Cb 0.55 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.42 2wqt n GLU 191 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2wqt n VAL 192 N 4.05 0.00 -3.54 6.31 0.24 -0.01 -4.87 118.33 120.51 2wqt n VAL 192 Ca 0.16 -0.16 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 2wqt n VAL 192 Cb 0.35 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 2wqt n VAL 192 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wqt s SER 193 N -0.81 -0.61 0.21 -1.34 0.15 -1.16 -4.94 113.70 105.20 2wqt s SER 193 Ca 0.00 0.62 -0.19 0.00 0.70 0.00 0.00 55.95 57.08 2wqt s SER 193 Cb 0.00 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2wqt s SER 193 CO 0.00 -0.62 0.57 -0.94 1.20 0.00 0.00 173.24 173.45 2wqt s SER 194 N -1.29 -0.29 0.00 5.45 1.04 -1.26 -1.00 113.70 116.35 2wqt s SER 194 Ca -0.11 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2wqt s SER 194 Cb -0.01 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2wqt s SER 194 CO 0.08 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2wqt n GLY 195 N -0.37 -0.65 3.55 7.32 0.00 -0.90 -4.36 105.19 109.78 2wqt n GLY 195 Ca -0.09 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2wqt n GLY 195 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wqt s ARG 196 N -0.49 1.22 0.45 1.61 1.70 -1.02 -0.79 118.95 121.61 2wqt s ARG 196 Ca 0.00 -0.52 0.23 0.00 -0.47 0.00 0.00 55.73 54.97 2wqt s ARG 196 Cb 0.00 0.51 1.23 0.00 -0.57 0.00 0.00 34.95 36.13 2wqt s ARG 196 CO 0.00 -0.54 1.81 0.78 -1.08 0.00 0.00 175.30 176.26 2wqt h GLY 197 N 2.00 0.78 2.00 3.88 0.00 -1.42 -1.68 103.07 108.63 2wqt h GLY 197 Ca -0.27 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2wqt h GLY 197 CO 0.32 -0.07 0.00 1.48 0.00 0.00 0.00 176.54 178.27 2wqt h SER 198 N 0.27 0.00 0.99 0.19 4.64 -1.62 -2.49 113.55 115.53 2wqt h SER 198 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2wqt h SER 198 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 2wqt h SER 198 CO -0.19 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.44 2wqt h GLU 199 N 0.00 0.00 -3.59 4.77 5.08 -1.59 -2.42 114.58 116.83 2wqt h GLU 199 Ca 0.00 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.56 2wqt h GLU 199 Cb 0.40 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.37 2wqt h GLU 199 CO 0.00 0.00 0.56 0.00 -1.00 0.00 0.00 179.01 178.57 2wqt n LEU 201 N 2.77 -1.73 0.00 0.00 4.77 -0.83 -2.06 117.00 119.92 2wqt n LEU 201 Ca 0.25 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2wqt n LEU 201 Cb 0.39 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 2wqt n LEU 201 CO 0.51 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2wqt n GLY 202 N -1.15 2.74 3.65 -0.72 0.00 -0.91 -4.77 105.19 104.02 2wqt n GLY 202 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2wqt n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wqt s HIS 203 N -0.89 -0.29 0.46 1.61 5.65 -0.87 -4.27 115.29 116.68 2wqt s HIS 203 Ca 0.00 0.61 0.21 0.00 0.25 0.00 0.00 55.06 56.13 2wqt s HIS 203 Cb 0.00 0.24 1.19 0.00 -1.18 0.00 0.00 32.58 32.83 2wqt s HIS 203 CO 0.00 -0.14 1.90 -1.35 -0.65 0.00 0.00 174.74 174.50 2wqt h PRO 204 N 5.13 0.27 0.00 2.88 0.11 -1.67 0.11 132.00 138.83 2wqt h PRO 204 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wqt h PRO 204 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wqt h PRO 204 CO 0.20 0.18 0.00 -0.07 -0.21 0.00 0.00 178.00 178.10 2wqt h LEU 205 N 0.28 0.00 -0.51 2.35 3.38 -1.93 -2.47 115.31 116.41 2wqt h LEU 205 Ca 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 2wqt h LEU 205 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2wqt h LEU 205 CO -0.10 0.00 -0.00 0.78 0.09 0.00 0.00 178.44 179.21 2wqt h ASN 206 N 0.00 0.89 -0.66 -0.43 2.35 -1.07 0.60 115.58 117.26 2wqt h ASN 206 Ca 0.00 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.42 2wqt h ASN 206 Cb 0.53 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2wqt h ASN 206 CO 0.00 0.98 0.32 0.00 -1.65 0.00 0.00 177.43 177.08 2wqt h ALA 207 N 0.94 0.85 -0.74 -0.83 0.00 -1.48 0.11 119.26 118.11 2wqt h ALA 207 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wqt h ALA 207 Cb 0.53 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2wqt h ALA 207 CO 0.03 0.41 0.36 0.00 0.00 0.00 0.00 179.25 180.05 2wqt h ALA 208 N 1.15 0.95 0.06 0.00 0.00 -1.29 -1.08 119.26 119.05 2wqt h ALA 208 Ca 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 208 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wqt h ALA 208 CO -0.03 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 179.98 2wqt h VAL 209 N 1.03 1.10 -0.59 0.00 2.07 -0.56 0.15 116.25 119.45 2wqt h VAL 209 Ca 0.25 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.37 2wqt h VAL 209 Cb 0.11 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 2wqt h VAL 209 CO -0.03 0.13 0.08 -0.25 0.02 0.00 0.00 177.57 177.52 2wqt h TRP 210 N -0.30 0.11 -0.13 1.57 7.01 -0.86 -1.62 115.95 121.73 2wqt h TRP 210 Ca -0.01 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2wqt h TRP 210 Cb 0.27 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2wqt h TRP 210 CO 0.00 -0.08 0.02 1.25 -2.79 0.00 0.00 178.44 176.84 2wqt h LEU 211 N 0.20 0.20 -0.87 0.65 5.85 -0.99 -2.06 115.31 118.30 2wqt h LEU 211 Ca 0.31 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.89 2wqt h LEU 211 Cb 0.48 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2wqt h LEU 211 CO -0.44 0.42 0.50 0.00 -0.34 0.00 0.00 178.44 178.57 2wqt h ALA 212 N 0.79 1.29 0.18 1.25 0.00 -0.53 -0.80 119.26 121.44 2wqt h ALA 212 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 212 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wqt h ALA 212 CO 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 179.25 179.22 2wqt h ARG 213 N 0.77 -0.23 -0.25 0.00 3.08 -1.19 -2.13 114.38 114.42 2wqt h ARG 213 Ca 0.45 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.57 2wqt h ARG 213 Cb 0.51 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 2wqt h ARG 213 CO -0.30 0.08 -0.34 0.87 -1.07 0.00 0.00 179.97 179.22 2wqt h LYS 214 N -0.55 -0.33 -0.92 0.04 1.79 -0.92 -0.11 116.57 115.58 2wqt h LYS 214 Ca -0.02 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2wqt h LYS 214 Cb 0.41 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.08 2wqt h LYS 214 CO 0.04 -0.22 0.59 0.52 -1.08 0.00 0.00 179.45 179.30 2wqt h MET 215 N -0.34 1.10 -0.64 3.15 2.86 -1.18 -0.14 114.93 119.74 2wqt h MET 215 Ca 0.13 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2wqt h MET 215 Cb 0.55 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2wqt h MET 215 CO -0.44 0.73 0.16 0.00 1.06 0.00 0.00 176.91 178.42 2wqt h ALA 216 N 1.39 0.84 0.00 6.32 0.00 -0.80 -0.98 119.26 126.02 2wqt h ALA 216 Ca 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wqt h ALA 216 Cb 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wqt h ALA 216 CO -0.13 0.54 -0.11 0.66 0.00 0.00 0.00 179.25 180.21 2wqt h SER 217 N 0.93 0.00 0.13 0.00 4.64 0.00 -2.58 113.55 116.68 2wqt h SER 217 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2wqt h SER 217 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2wqt h SER 217 CO 0.00 0.11 -0.01 0.18 -0.87 0.00 0.00 176.83 176.24 2wqt n LEU 218 N -3.16 0.11 -0.45 5.97 4.32 -0.16 -4.90 117.00 118.73 2wqt n LEU 218 Ca 0.02 0.03 -0.06 0.00 -0.02 0.00 0.00 56.01 55.98 2wqt n LEU 218 Cb 0.49 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.20 2wqt n LEU 218 CO 0.33 0.02 -0.06 0.61 -1.22 0.00 0.00 177.39 177.07 2wqt n GLY 219 N 1.08 0.81 2.55 -0.72 0.00 -0.97 -4.96 105.19 102.97 2wqt n GLY 219 Ca 0.21 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 2wqt n GLY 219 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wqt n GLU 220 N -2.37 2.50 -1.68 1.61 1.02 -0.39 -5.03 120.64 116.29 2wqt n GLU 220 Ca -0.06 -4.53 -0.38 0.00 -0.02 0.00 0.00 57.16 52.17 2wqt n GLU 220 Cb 0.25 -2.12 0.05 0.00 -0.02 0.00 0.00 31.44 29.60 2wqt n GLU 220 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wqt n PRO 221 N 0.52 1.19 -1.83 3.49 -0.02 -1.19 -4.43 135.00 132.74 2wqt n PRO 221 Ca 0.29 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 2wqt n PRO 221 Cb 0.43 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 2wqt n PRO 221 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wqt s LEU 222 N -3.08 4.36 0.18 2.45 1.43 -1.26 -4.87 118.68 117.88 2wqt s LEU 222 Ca 0.76 2.87 -0.01 0.00 -1.03 0.00 0.00 54.13 56.72 2wqt s LEU 222 Cb -0.41 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 2wqt s LEU 222 CO 0.46 -0.87 0.37 -0.13 0.23 0.00 0.00 176.35 176.41 2wqt s ARG 223 N -0.29 3.53 0.30 1.70 0.52 -1.26 -1.28 118.95 122.17 2wqt s ARG 223 Ca 0.63 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 2wqt s ARG 223 Cb -0.46 -2.86 -0.13 0.00 0.52 0.00 0.00 34.95 32.02 2wqt s ARG 223 CO 0.45 0.43 1.35 -2.37 0.02 0.00 0.00 175.30 175.19 2wqt n THR 224 N -0.46 1.54 0.00 0.02 5.66 -1.23 -1.94 114.28 117.87 2wqt n THR 224 Ca -0.04 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2wqt n THR 224 Cb 0.53 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 2wqt n THR 224 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wqt n GLY 225 N 1.39 2.35 3.75 1.09 0.00 -0.49 -4.91 105.19 108.37 2wqt n GLY 225 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2wqt n GLY 225 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 226 N -1.66 5.20 -0.10 1.61 -0.00 -0.82 -4.64 116.67 116.26 2wqt s ASP 226 Ca 0.00 2.74 -0.04 0.00 -0.00 0.00 0.00 52.55 55.25 2wqt s ASP 226 Cb 0.00 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 2wqt s ASP 226 CO 0.00 -1.61 0.05 -0.51 -0.00 0.00 0.00 175.17 173.09 2wqt s ILE 227 N -1.32 4.72 -0.15 0.77 2.07 -0.15 -2.45 121.20 124.68 2wqt s ILE 227 Ca 0.73 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 2wqt s ILE 227 Cb -0.40 -3.02 0.02 0.00 0.13 0.00 0.00 42.46 39.20 2wqt s ILE 227 CO 0.46 0.61 -0.15 -0.63 -1.91 0.00 0.00 174.94 173.32 2wqt s ILE 228 N -0.89 1.65 -0.32 2.00 1.01 0.31 -1.94 121.20 123.03 2wqt s ILE 228 Ca 0.13 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 2wqt s ILE 228 Cb -0.12 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2wqt s ILE 228 CO 0.03 0.47 0.61 -0.76 0.00 0.00 0.00 174.94 175.29 2wqt s LEU 229 N 1.38 4.18 0.00 2.97 1.43 -0.67 -0.88 118.68 127.09 2wqt s LEU 229 Ca 0.03 0.34 0.29 0.00 -1.03 0.00 0.00 54.13 53.77 2wqt s LEU 229 Cb -0.13 -2.78 1.28 0.00 0.03 0.00 0.00 46.19 44.59 2wqt s LEU 229 CO -0.10 -0.49 1.88 0.35 0.23 0.00 0.00 176.35 178.22 2wqt n THR 230 N 5.42 0.00 0.00 5.49 -2.24 -0.69 -0.47 114.28 121.79 2wqt n THR 230 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2wqt n THR 230 Cb 0.49 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 2wqt n THR 230 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wqt n GLY 231 N 1.14 2.95 3.73 3.38 0.00 -1.23 -4.76 105.19 110.41 2wqt n GLY 231 Ca 0.20 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2wqt n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wqt s ALA 232 N -3.00 3.74 -0.28 4.61 0.00 -1.26 -4.34 121.76 121.23 2wqt s ALA 232 Ca 0.00 1.39 0.21 0.00 0.00 0.00 0.00 51.96 53.56 2wqt s ALA 232 Cb 0.00 -3.61 0.12 0.00 0.00 0.00 0.00 23.12 19.63 2wqt s ALA 232 CO 0.00 -0.80 1.29 -0.07 0.00 0.00 0.00 175.76 176.18 2wqt h LEU 233 N 6.05 0.00 -8.19 0.00 3.38 -1.39 -3.39 115.31 111.76 2wqt h LEU 233 Ca -0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 2wqt h LEU 233 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2wqt h LEU 233 CO 0.86 0.16 0.07 -0.83 0.09 0.00 0.00 178.44 178.79 2wqt s GLY 234 N -4.38 0.63 0.40 0.83 0.00 -1.26 -2.44 107.32 101.10 2wqt s GLY 234 Ca 0.03 -0.91 -0.26 0.00 0.00 0.00 0.00 44.72 43.57 2wqt s GLY 234 CO 0.74 -0.52 1.36 -4.14 0.00 0.00 0.00 173.10 170.54 2wqt s PRO 235 N -3.10 3.96 0.63 2.90 0.02 -1.26 -4.69 135.00 133.46 2wqt s PRO 235 Ca 0.20 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.35 2wqt s PRO 235 Cb -0.03 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.67 2wqt s PRO 235 CO 0.13 -0.54 1.08 0.00 -0.33 0.00 0.00 177.00 177.34 2wqt s MET 236 N -2.22 3.06 0.11 5.54 0.23 -1.26 -4.82 119.30 119.94 2wqt s MET 236 Ca 0.56 1.27 0.05 0.00 -1.03 0.00 0.00 55.69 56.55 2wqt s MET 236 Cb -0.41 -1.99 -0.04 0.00 -1.53 0.00 0.00 34.83 30.87 2wqt s MET 236 CO 0.53 -1.03 -0.14 0.14 -2.03 0.00 0.00 175.02 172.49 2wqt s VAL 237 N -2.44 1.23 0.31 5.16 -7.23 -0.75 -4.96 120.40 111.73 2wqt s VAL 237 Ca 0.65 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.93 2wqt s VAL 237 Cb -0.18 -1.40 -0.10 0.00 0.56 0.00 0.00 36.38 35.27 2wqt s VAL 237 CO 0.40 -0.38 1.14 0.00 -0.31 0.00 0.00 175.10 175.96 2wqt s ALA 238 N -1.94 3.38 -0.18 1.32 0.00 -1.26 -1.87 121.76 121.21 2wqt s ALA 238 Ca 0.06 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 2wqt s ALA 238 Cb -0.06 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2wqt s ALA 238 CO 0.02 -0.30 0.23 0.08 0.00 0.00 0.00 175.76 175.79 2wqt s VAL 239 N -1.22 5.35 0.20 0.00 1.01 -0.84 -4.89 120.40 120.01 2wqt s VAL 239 Ca 0.48 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.95 2wqt s VAL 239 Cb -0.33 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2wqt s VAL 239 CO 0.42 0.41 -0.08 0.20 0.00 0.00 0.00 175.10 176.04 2wqt s ASN 240 N 0.44 4.26 0.17 3.32 0.02 -1.26 -4.74 114.94 117.16 2wqt s ASN 240 Ca 0.13 -0.62 -0.32 0.00 -1.02 0.00 0.00 52.86 51.03 2wqt s ASN 240 Cb -0.12 -0.72 -0.16 0.00 0.02 0.00 0.00 41.25 40.27 2wqt s ASN 240 CO 0.02 0.08 1.04 0.00 0.02 0.00 0.00 177.10 178.26 2wqt n ALA 241 N -0.18 -1.29 0.00 0.60 0.00 -1.26 -1.65 120.51 116.73 2wqt n ALA 241 Ca -0.10 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wqt n ALA 241 Cb 0.56 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2wqt n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqt n GLY 242 N 1.86 2.80 3.77 0.00 0.00 0.30 -4.98 105.19 108.94 2wqt n GLY 242 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wqt n GLY 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 243 N -3.84 6.41 -0.20 1.61 -0.00 -0.66 -4.63 116.67 115.37 2wqt s ASP 243 Ca 0.00 2.98 -0.01 0.00 -0.00 0.00 0.00 52.55 55.52 2wqt s ASP 243 Cb 0.00 -2.66 0.01 0.00 -0.00 0.00 0.00 42.92 40.27 2wqt s ASP 243 CO 0.00 -0.82 -0.12 -0.60 -0.00 0.00 0.00 175.17 173.63 2wqt s ARG 244 N -1.88 3.16 -0.06 8.23 3.52 -1.26 -1.00 118.95 129.67 2wqt s ARG 244 Ca 0.53 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 55.38 2wqt s ARG 244 Cb -0.46 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2wqt s ARG 244 CO 0.60 -0.22 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.81 2wqt s PHE 245 N 1.38 3.13 -0.05 5.12 0.40 0.64 -0.86 117.98 127.74 2wqt s PHE 245 Ca 0.05 0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2wqt s PHE 245 Cb -0.14 -1.75 0.04 0.00 0.51 0.00 0.00 43.02 41.68 2wqt s PHE 245 CO -0.08 0.46 0.11 -2.00 0.70 0.00 0.00 175.22 174.41 2wqt s GLU 246 N -1.10 0.05 0.02 0.44 2.12 -0.83 -0.88 118.70 118.53 2wqt s GLU 246 Ca 0.15 0.31 0.08 0.00 0.36 0.00 0.00 54.97 55.87 2wqt s GLU 246 Cb -0.11 -0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 2wqt s GLU 246 CO 0.05 -0.17 -0.22 0.00 -0.54 0.00 0.00 175.26 174.38 2wqt s ALA 247 N 1.14 2.40 -0.13 6.30 0.00 0.15 -0.70 121.76 130.92 2wqt s ALA 247 Ca -0.09 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2wqt s ALA 247 Cb -0.12 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 2wqt s ALA 247 CO -0.05 0.55 -0.20 -1.01 0.00 0.00 0.00 175.76 175.05 2wqt s HIS 248 N -0.79 2.68 -0.23 0.00 3.76 0.34 -1.60 115.29 119.44 2wqt s HIS 248 Ca 0.12 -1.05 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 2wqt s HIS 248 Cb -0.10 -1.80 0.04 0.00 1.11 0.00 0.00 32.58 31.83 2wqt s HIS 248 CO 0.02 -0.44 -0.12 0.42 -0.85 0.00 0.00 174.74 173.77 2wqt s ILE 249 N 0.56 2.39 0.17 0.60 1.01 0.54 -2.00 121.20 124.48 2wqt s ILE 249 Ca -0.12 -1.22 -0.33 0.00 0.00 0.00 0.00 60.65 58.98 2wqt s ILE 249 Cb -0.16 -2.23 -0.13 0.00 0.01 0.00 0.00 42.46 39.95 2wqt s ILE 249 CO 0.04 0.21 1.65 1.21 0.00 0.00 0.00 174.94 178.05 2wqt n GLU 250 N 4.57 2.41 -0.52 2.79 2.13 0.23 -1.19 120.64 131.06 2wqt n GLU 250 Ca -0.17 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.52 2wqt n GLU 250 Cb 0.46 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.50 2wqt n GLU 250 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wqt n GLY 251 N 3.68 1.62 0.83 8.31 0.00 -1.26 -4.54 105.19 113.83 2wqt n GLY 251 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2wqt n GLY 251 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wqt n ILE 252 N -2.00 0.77 -0.99 -0.61 5.41 -0.41 -4.84 119.36 116.68 2wqt n ILE 252 Ca 0.00 0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2wqt n ILE 252 Cb 0.00 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 2wqt n ILE 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wqt n GLY 253 N 2.82 -0.10 3.16 7.39 0.00 -0.34 -3.99 105.19 114.14 2wqt n GLY 253 Ca -0.08 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2wqt n GLY 253 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wqt s SER 254 N -4.00 0.07 0.03 1.61 1.04 -0.62 -0.33 113.70 111.49 2wqt s SER 254 Ca 0.00 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2wqt s SER 254 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2wqt s SER 254 CO 0.00 -0.53 -0.10 -0.69 0.98 0.00 0.00 173.24 172.90 2wqt s VAL 255 N -2.46 0.78 0.03 5.02 1.01 -0.63 -2.76 120.40 121.39 2wqt s VAL 255 Ca -0.06 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2wqt s VAL 255 Cb -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2wqt s VAL 255 CO -0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 175.10 174.88 2wqt s ALA 256 N -0.90 0.57 -0.07 5.51 0.00 -1.26 -0.68 121.76 124.93 2wqt s ALA 256 Ca -0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 2wqt s ALA 256 Cb -0.07 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2wqt s ALA 256 CO 0.01 0.02 0.26 0.00 0.00 0.00 0.00 175.76 176.05 2wqt s ALA 257 N -1.07 -0.65 -0.03 0.00 0.00 -0.06 -0.45 121.76 119.50 2wqt s ALA 257 Ca -0.07 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.50 2wqt s ALA 257 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2wqt s ALA 257 CO 0.00 -0.17 -0.24 0.99 0.00 0.00 0.00 175.76 176.34 2wqt s THR 258 N -0.39 1.92 -0.12 0.00 2.01 -1.02 -0.26 115.64 117.78 2wqt s THR 258 Ca -0.05 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 60.85 2wqt s THR 258 Cb -0.03 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2wqt s THR 258 CO 0.01 0.54 0.16 -0.36 -0.69 0.00 0.00 174.62 174.28 2wqt s PHE 259 N -0.43 3.60 0.00 4.92 0.08 -0.17 -0.37 117.98 125.62 2wqt s PHE 259 Ca 0.05 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.65 2wqt s PHE 259 Cb -0.11 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 2wqt s PHE 259 CO 0.00 0.72 0.00 -1.13 -0.10 0.00 0.00 175.22 174.71 2wqt n SER 260 N 2.02 -0.19 -0.35 1.36 3.41 -0.49 -2.29 113.62 117.08 2wqt n SER 260 Ca -0.19 -0.09 0.04 0.00 -0.26 0.00 0.00 58.87 58.36 2wqt n SER 260 Cb 0.55 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2wqt n SER 260 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68