#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 0.19 -0.01 3.23 2.86 -2.08 -3.34 114.93 115.78 2wqt h MET 1 Ca 0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2wqt h MET 1 Cb 0.00 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2wqt h MET 1 CO 0.00 1.06 -0.08 0.25 1.06 0.00 0.00 176.91 179.20 2wqt n THR 2 N -4.38 0.00 -0.36 2.22 -2.24 -1.26 -4.32 114.28 103.93 2wqt n THR 2 Ca -0.11 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2wqt n THR 2 Cb 0.62 0.38 0.12 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.80 1.23 -0.51 -0.78 3.64 -2.00 0.25 116.57 120.20 2wqt h LYS 3 Ca 0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2wqt h LYS 3 Cb 0.47 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2wqt h LYS 3 CO 0.00 0.81 0.17 1.25 -2.27 0.00 0.00 179.45 179.42 2wqt h HIS 4 N 1.27 0.81 -0.82 1.91 2.76 -1.83 -1.70 115.15 117.55 2wqt h HIS 4 Ca 0.37 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2wqt h HIS 4 Cb -0.06 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 2wqt h HIS 4 CO -0.00 0.69 0.47 1.15 -1.30 0.00 0.00 177.93 178.94 2wqt h THR 5 N 0.69 1.23 -0.31 6.26 2.02 -1.63 -2.10 112.91 119.07 2wqt h THR 5 Ca 0.17 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2wqt h THR 5 Cb 0.25 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2wqt h THR 5 CO -0.01 0.26 0.16 -0.07 0.37 0.00 0.00 175.52 176.23 2wqt h LEU 6 N 1.14 0.40 -0.84 2.58 4.07 -0.66 -0.93 115.31 121.06 2wqt h LEU 6 Ca 0.29 -0.11 0.07 0.00 0.08 0.00 0.00 57.88 58.22 2wqt h LEU 6 Cb -0.01 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.56 2wqt h LEU 6 CO -0.05 0.39 0.51 -0.33 -1.08 0.00 0.00 178.44 177.88 2wqt h GLU 7 N 0.37 0.88 -0.14 1.13 4.39 -1.04 -0.13 114.58 120.03 2wqt h GLU 7 Ca 0.11 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2wqt h GLU 7 Cb 0.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2wqt h GLU 7 CO -0.02 0.58 0.06 1.96 -1.16 0.00 0.00 179.01 180.43 2wqt h GLN 8 N 0.90 0.21 -0.58 2.33 4.20 -0.98 -1.65 115.11 119.54 2wqt h GLN 8 Ca 0.38 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 2wqt h GLN 8 Cb 0.24 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2wqt h GLN 8 CO -0.20 0.30 0.10 -0.07 -0.67 0.00 0.00 178.83 178.29 2wqt h LEU 9 N 0.08 0.92 -0.68 1.46 3.38 -0.91 -0.92 115.31 118.64 2wqt h LEU 9 Ca 0.05 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2wqt h LEU 9 Cb 0.17 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2wqt h LEU 9 CO -0.00 0.94 0.37 0.00 0.09 0.00 0.00 178.44 179.84 2wqt h ALA 10 N 1.01 0.91 -0.60 1.53 0.00 -0.94 -1.21 119.26 119.96 2wqt h ALA 10 Ca 0.18 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 10 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2wqt h ALA 10 CO 0.01 0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.35 2wqt h ALA 11 N 1.35 0.93 -0.60 0.00 0.00 -0.97 -1.54 119.26 118.44 2wqt h ALA 11 Ca 0.30 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2wqt h ALA 11 Cb 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2wqt h ALA 11 CO -0.19 0.65 0.35 -0.44 0.00 0.00 0.00 179.25 179.62 2wqt h ASP 12 N 0.94 0.55 -0.58 0.00 3.32 -0.47 -0.81 116.42 119.36 2wqt h ASP 12 Ca 0.18 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2wqt h ASP 12 Cb 0.49 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2wqt h ASP 12 CO 0.02 0.38 0.20 -0.07 -1.72 0.00 0.00 179.24 178.05 2wqt h LEU 13 N 0.68 0.87 -0.36 1.55 4.07 -1.00 -0.11 115.31 121.01 2wqt h LEU 13 Ca 0.25 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 2wqt h LEU 13 Cb 0.08 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 2wqt h LEU 13 CO -0.13 0.81 -0.12 0.03 -1.08 0.00 0.00 178.44 177.96 2wqt h ARG 14 N 0.91 0.71 -0.57 1.13 3.08 -0.79 -2.62 114.38 116.23 2wqt h ARG 14 Ca 0.20 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 2wqt h ARG 14 Cb 0.26 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2wqt h ARG 14 CO -0.01 0.88 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.63 2wqt h ARG 15 N 0.50 1.03 -0.50 0.04 2.43 -1.06 -1.45 114.38 115.37 2wqt h ARG 15 Ca 0.09 -0.35 0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2wqt h ARG 15 Cb 0.64 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 2wqt h ARG 15 CO 0.04 1.04 0.04 0.00 -1.51 0.00 0.00 179.97 179.58 2wqt h ALA 16 N 1.00 0.51 -0.23 2.80 0.00 -0.91 -0.88 119.26 121.55 2wqt h ALA 16 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2wqt h ALA 16 Cb 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wqt h ALA 16 CO 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 179.25 178.91 2wqt h ALA 17 N 1.43 0.31 -0.72 0.00 0.00 -1.23 -1.59 119.26 117.46 2wqt h ALA 17 Ca 0.25 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 17 Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2wqt h ALA 17 CO -0.39 0.05 0.47 0.93 0.00 0.00 0.00 179.25 180.32 2wqt h GLU 18 N 0.17 0.69 0.00 0.00 5.08 -0.95 -3.03 114.58 116.55 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 0.44 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2wqt h GLU 18 CO 0.01 0.46 -1.10 1.04 -1.00 0.00 0.00 179.01 178.42 2wqt n GLN 19 N -4.48 0.22 -2.76 2.33 6.02 -0.36 -4.96 117.38 113.37 2wqt n GLN 19 Ca 0.11 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 2wqt n GLN 19 Cb 0.26 -1.54 0.02 0.00 1.02 0.00 0.00 30.24 29.99 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 1.41 -0.49 2.98 1.08 0.00 -0.64 -5.01 105.19 104.52 2wqt n GLY 20 Ca 0.02 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.42 1.97 0.48 1.61 2.02 -0.96 -5.06 118.70 113.34 2wqt s GLU 21 Ca 0.18 -0.69 -0.22 0.00 0.02 0.00 0.00 54.97 54.27 2wqt s GLU 21 Cb -0.08 -2.23 -0.07 0.00 0.10 0.00 0.00 34.13 31.85 2wqt s GLU 21 CO 0.22 -0.37 1.12 0.00 0.02 0.00 0.00 175.26 176.25 2wqt s ALA 22 N 1.47 2.88 0.42 5.21 0.00 -1.26 -4.44 121.76 126.04 2wqt s ALA 22 Ca 0.01 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.86 2wqt s ALA 22 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2wqt s ALA 22 CO -0.09 -0.57 0.33 0.96 0.00 0.00 0.00 175.76 176.39 2wqt s ILE 23 N -1.70 2.54 0.57 0.00 -4.36 0.19 -4.63 121.20 113.80 2wqt s ILE 23 Ca 0.66 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 59.44 2wqt s ILE 23 Cb -0.24 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.45 2wqt s ILE 23 CO 0.29 0.00 1.10 0.00 0.24 0.00 0.00 174.94 176.57 2wqt s ALA 24 N -2.51 2.67 0.44 2.27 0.00 -1.26 -0.44 121.76 122.93 2wqt s ALA 24 Ca 0.46 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 2wqt s ALA 24 Cb -0.01 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 2wqt s ALA 24 CO 0.26 -0.83 1.12 -2.30 0.00 0.00 0.00 175.76 174.01 2wqt n PRO 25 N -1.60 1.54 0.02 0.00 -0.02 -1.26 -4.87 135.00 128.81 2wqt n PRO 25 Ca 0.11 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2wqt n PRO 25 Cb 0.52 -2.19 0.31 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.24 0.47 -0.19 2.45 4.32 -1.26 -4.59 117.00 118.44 2wqt n LEU 26 Ca 0.09 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 2wqt n LEU 26 Cb 0.40 -0.28 0.10 0.00 -1.62 0.00 0.00 43.42 42.02 2wqt n LEU 26 CO 0.57 0.04 0.92 0.08 -1.22 0.00 0.00 177.39 177.78 2wqt h ARG 27 N 0.00 0.26 0.00 3.23 0.11 -1.93 -1.31 114.38 114.75 2wqt h ARG 27 Ca 0.00 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 2wqt h ARG 27 Cb 0.58 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 2wqt h ARG 27 CO 0.00 0.17 -0.42 -0.44 0.10 0.00 0.00 179.97 179.38 2wqt h ASP 28 N 0.27 0.00 1.11 0.08 3.32 -1.91 0.34 116.42 119.63 2wqt h ASP 28 Ca 0.31 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.23 2wqt h ASP 28 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2wqt h ASP 28 CO -0.39 0.42 -0.62 -0.07 -1.72 0.00 0.00 179.24 176.86 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.56 -3.34 115.31 116.03 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 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2wqt h LEU 29 CO 0.05 0.62 -1.26 2.30 -1.08 0.00 0.00 178.44 179.07 2wqt n ILE 30 N -3.39 0.00 0.00 1.22 -5.35 -1.01 -5.10 119.36 105.73 2wqt n ILE 30 Ca 0.01 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2wqt n ILE 30 Cb 0.72 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 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 1.68 1.60 0.45 3.28 0.00 0.12 -4.55 105.19 107.76 2wqt n GLY 31 Ca -0.01 -1.31 0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 0.53 -1.08 -0.61 2.10 -1.90 -0.86 117.51 115.69 2wqt h ILE 32 Ca 0.00 -0.08 -0.55 0.00 1.08 0.00 0.00 64.86 65.31 2wqt h ILE 32 Cb 0.00 0.28 -0.42 0.00 -1.09 0.00 0.00 36.82 35.59 2wqt h ILE 32 CO 0.00 0.04 -0.81 -0.90 -1.08 0.00 0.00 178.15 175.40 2wqt n ASP 33 N -4.43 4.57 -4.25 2.19 5.75 -1.26 -4.51 116.55 114.60 2wqt n ASP 33 Ca 0.23 -3.63 -0.44 0.00 -0.01 0.00 0.00 54.79 50.94 2wqt n ASP 33 Cb 0.95 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.58 5.49 -0.20 -1.12 2.85 -0.33 -4.85 115.26 116.53 2wqt n ASN 34 Ca 0.39 -3.09 -0.07 0.00 -0.11 0.00 0.00 54.58 51.70 2wqt n ASN 34 Cb 0.82 -1.45 0.03 0.00 1.24 0.00 0.00 39.78 40.43 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 6.47 0.72 -0.79 5.20 0.00 -1.89 -2.80 119.26 126.17 2wqt h ALA 35 Ca 0.27 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2wqt h ALA 35 Cb 0.79 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2wqt h ALA 35 CO 1.25 0.19 0.40 1.49 0.00 0.00 0.00 179.25 182.58 2wqt h GLU 36 N 0.76 0.61 -0.28 0.00 4.81 -2.00 -1.49 114.58 116.99 2wqt h GLU 36 Ca 0.20 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2wqt h GLU 36 Cb -0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2wqt h GLU 36 CO -0.04 0.40 -0.13 0.00 -0.73 0.00 0.00 179.01 178.51 2wqt h ALA 37 N 1.50 0.40 -0.54 2.92 0.00 -1.91 -1.59 119.26 120.03 2wqt h ALA 37 Ca 0.41 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2wqt h ALA 37 Cb 0.51 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2wqt h ALA 37 CO -0.32 0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.46 2wqt h ALA 38 N 0.75 0.70 -0.24 0.00 0.00 -1.17 -0.36 119.26 118.93 2wqt h ALA 38 Ca 0.06 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2wqt h ALA 38 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wqt h ALA 38 CO 0.04 -0.12 -0.21 1.88 0.00 0.00 0.00 179.25 180.84 2wqt h TYR 39 N 0.48 0.48 -0.67 0.00 -1.99 -1.25 -2.24 116.97 111.78 2wqt h TYR 39 Ca 0.25 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 2wqt h TYR 39 Cb 0.21 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 2wqt h TYR 39 CO -0.12 0.63 0.23 0.00 -0.00 0.00 0.00 178.16 178.89 2wqt h ALA 40 N 1.38 0.88 -0.34 3.88 0.00 -0.42 -0.35 119.26 124.28 2wqt h ALA 40 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2wqt h ALA 40 Cb 0.60 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wqt h ALA 40 CO 0.04 0.53 0.18 0.82 0.00 0.00 0.00 179.25 180.83 2wqt h ILE 41 N 0.97 1.15 -0.76 0.00 2.04 -0.85 0.10 117.51 120.16 2wqt h ILE 41 Ca 0.22 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2wqt h ILE 41 Cb 0.27 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2wqt h ILE 41 CO -0.01 0.15 0.47 -0.61 0.00 0.00 0.00 178.15 178.15 2wqt h GLN 42 N 0.42 0.88 -0.41 2.37 4.15 -1.25 -2.50 115.11 118.78 2wqt h GLN 42 Ca 0.12 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 2wqt h GLN 42 Cb 0.08 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 2wqt h GLN 42 CO -0.02 0.58 0.14 1.25 -1.93 0.00 0.00 178.83 178.85 2wqt h HIS 43 N 0.90 0.64 -0.43 3.99 2.76 -0.63 -0.76 115.15 121.63 2wqt h HIS 43 Ca 0.31 -0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 2wqt h HIS 43 Cb 0.06 -0.19 -0.08 0.00 1.55 0.00 0.00 27.41 28.75 2wqt h HIS 43 CO -0.04 0.59 -0.14 0.82 -1.30 0.00 0.00 177.93 177.86 2wqt h ILE 44 N 0.51 0.51 -0.21 6.26 1.08 -0.49 -0.00 117.51 125.17 2wqt h ILE 44 Ca 0.13 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.48 2wqt h ILE 44 Cb 0.24 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2wqt h ILE 44 CO -0.01 0.00 -0.38 0.78 -0.69 0.00 0.00 178.15 177.86 2wqt h ASN 45 N -0.04 0.49 -0.30 1.72 2.35 -1.19 -0.58 115.58 118.01 2wqt h ASN 45 Ca 0.21 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2wqt h ASN 45 Cb 0.36 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2wqt h ASN 45 CO -0.46 0.82 -0.06 0.58 -1.65 0.00 0.00 177.43 176.66 2wqt h VAL 46 N 0.39 1.28 -0.85 2.81 2.07 -0.78 -2.28 116.25 118.88 2wqt h VAL 46 Ca 0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2wqt h VAL 46 Cb 0.84 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2wqt h VAL 46 CO 0.07 0.35 0.51 -0.61 0.02 0.00 0.00 177.57 177.90 2wqt h GLN 47 N 0.35 1.16 -0.24 1.57 5.75 -0.76 -0.12 115.11 122.81 2wqt h GLN 47 Ca 0.08 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2wqt h GLN 47 Cb 0.53 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2wqt h GLN 47 CO 0.03 0.82 0.12 1.25 -2.65 0.00 0.00 178.83 178.39 2wqt h HIS 48 N 1.17 0.35 -0.49 3.99 2.76 -1.04 -2.19 115.15 119.70 2wqt h HIS 48 Ca 0.31 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.36 2wqt h HIS 48 Cb -0.04 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2wqt h HIS 48 CO -0.00 0.34 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.45 2wqt h ASP 49 N 0.26 0.87 -0.82 3.26 3.32 -1.02 -2.80 116.42 119.50 2wqt h ASP 49 Ca 0.08 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2wqt h ASP 49 Cb 0.12 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2wqt h ASP 49 CO -0.01 0.98 0.46 0.58 -1.72 0.00 0.00 179.24 179.53 2wqt h VAL 50 N 0.80 1.24 0.00 -1.35 2.07 -0.87 -1.39 116.25 116.75 2wqt h VAL 50 Ca 0.14 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2wqt h VAL 50 Cb 0.59 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2wqt h VAL 50 CO 0.04 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 177.86 2wqt h ALA 51 N 1.36 1.11 -0.56 1.67 0.00 -1.13 0.11 119.26 121.82 2wqt h ALA 51 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wqt h ALA 51 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 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 -3.27 2.46 -0.53 0.00 6.02 -0.59 -4.94 117.38 116.54 2wqt n GLN 52 Ca -0.02 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.90 2wqt n GLN 52 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 1.32 0.74 3.75 1.08 0.00 0.38 -5.05 105.19 107.42 2wqt n GLY 53 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.47 4.38 -0.26 1.61 3.52 -0.82 -4.99 118.95 121.91 2wqt s ARG 54 Ca 0.00 2.10 -0.09 0.00 -0.13 0.00 0.00 55.73 57.61 2wqt s ARG 54 Cb 0.00 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2wqt s ARG 54 CO 0.00 -0.23 0.12 0.50 -0.81 0.00 0.00 175.30 174.89 2wqt s ARG 55 N -0.59 3.80 0.09 5.12 3.52 -1.26 -4.30 118.95 125.32 2wqt s ARG 55 Ca 0.54 -0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 55.44 2wqt s ARG 55 Cb -0.38 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.48 2wqt s ARG 55 CO 0.42 -0.16 1.27 0.08 -0.81 0.00 0.00 175.30 176.09 2wqt s VAL 56 N 1.62 3.74 -0.05 7.11 1.01 -1.26 -1.07 120.40 131.50 2wqt s VAL 56 Ca 0.07 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.32 2wqt s VAL 56 Cb -0.15 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2wqt s VAL 56 CO 0.07 0.11 0.05 1.33 0.00 0.00 0.00 175.10 176.66 2wqt n VAL 57 N 3.81 0.00 -3.27 2.92 0.24 -0.07 -4.86 118.33 117.10 2wqt n VAL 57 Ca 0.09 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2wqt n VAL 57 Cb 0.45 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.29 -0.52 3.25 7.63 0.00 -1.20 -0.88 105.19 114.76 2wqt n GLY 58 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.51 1.07 -0.05 1.61 1.81 -0.81 -1.18 118.95 119.89 2wqt s ARG 59 Ca 0.00 -1.47 0.05 0.00 -1.72 0.00 0.00 55.73 52.59 2wqt s ARG 59 Cb 0.00 -0.55 -0.02 0.00 -0.45 0.00 0.00 34.95 33.93 2wqt s ARG 59 CO 0.00 0.03 -0.18 0.21 -0.68 0.00 0.00 175.30 174.68 2wqt s LYS 60 N -3.78 2.44 -0.18 3.54 2.36 0.05 -1.68 119.74 122.49 2wqt s LYS 60 Ca 0.18 -0.77 -0.08 0.00 -2.55 0.00 0.00 55.97 52.75 2wqt s LYS 60 Cb 0.03 -2.28 -0.04 0.00 -1.05 0.00 0.00 37.83 34.49 2wqt s LYS 60 CO 0.01 0.57 0.08 0.08 1.55 0.00 0.00 175.35 177.64 2wqt s VAL 61 N -0.61 5.00 0.39 4.02 1.01 0.32 -1.39 120.40 129.14 2wqt s VAL 61 Ca 0.09 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2wqt s VAL 61 Cb -0.11 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2wqt s VAL 61 CO 0.01 0.47 0.06 -0.83 0.00 0.00 0.00 175.10 174.80 2wqt s GLY 62 N 0.25 2.44 -1.21 4.51 0.00 -0.50 -3.42 107.32 109.39 2wqt s GLY 62 Ca 0.05 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.00 2wqt s GLY 62 CO -0.00 -1.93 0.70 1.04 0.00 0.00 0.00 173.10 172.91 2wqt n LEU 63 N -0.89 -2.72 -0.04 0.66 4.77 -1.26 -1.48 117.00 116.04 2wqt n LEU 63 Ca -0.06 -1.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.02 2wqt n LEU 63 Cb 0.66 -2.37 0.03 0.00 -2.33 0.00 0.00 43.42 39.41 2wqt n LEU 63 CO 0.41 0.46 0.17 0.35 -1.33 0.00 0.00 177.39 177.45 2wqt n THR 64 N -4.24 0.00 -3.14 -5.08 -2.24 -1.26 -4.17 114.28 94.14 2wqt n THR 64 Ca -0.16 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 2wqt n THR 64 Cb 0.62 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.95 3.32 0.63 4.78 3.76 -1.26 -1.97 115.29 121.61 2wqt s HIS 65 Ca 0.10 0.83 0.38 0.00 -0.15 0.00 0.00 55.06 56.22 2wqt s HIS 65 Cb 0.17 -2.79 2.15 0.00 1.11 0.00 0.00 32.58 33.22 2wqt s HIS 65 CO 0.78 -0.24 2.32 -1.35 -0.85 0.00 0.00 174.74 175.40 2wqt h PRO 66 N 7.70 0.00 0.98 8.40 0.11 -1.88 -1.63 132.00 145.68 2wqt h PRO 66 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2wqt h PRO 66 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.26 2wqt h PRO 66 CO 0.76 0.00 -0.47 0.87 -0.21 0.00 0.00 178.00 178.95 2wqt h LYS 67 N 0.00 -1.26 -0.60 1.05 1.57 -1.98 -2.50 116.57 112.85 2wqt h LYS 67 Ca 0.00 0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2wqt h LYS 67 Cb 0.01 0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2wqt h LYS 67 CO -0.00 -0.84 0.40 0.28 -0.57 0.00 0.00 179.45 178.71 2wqt h VAL 68 N -1.34 0.97 -0.07 0.50 2.07 -1.76 -1.64 116.25 114.98 2wqt h VAL 68 Ca -0.13 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2wqt h VAL 68 Cb 1.00 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2wqt h VAL 68 CO 0.22 0.10 0.04 1.56 0.02 0.00 0.00 177.57 179.51 2wqt h GLN 69 N 0.53 0.10 0.03 1.57 4.20 -1.33 -2.93 115.11 117.28 2wqt h GLN 69 Ca 0.26 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2wqt h GLN 69 Cb 0.34 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2wqt h GLN 69 CO -0.08 0.12 -0.01 1.96 -0.67 0.00 0.00 178.83 180.15 2wqt h GLN 70 N 0.06 -0.04 0.00 1.46 1.08 -0.95 -0.68 115.11 116.04 2wqt h GLN 70 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2wqt h GLN 70 Cb 0.04 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2wqt h GLN 70 CO -0.00 0.20 0.02 0.94 -0.95 0.00 0.00 178.83 179.04 2wqt n GLN 71 N -5.00 0.00 0.00 1.46 7.27 -0.67 -1.18 117.38 119.27 2wqt n GLN 71 Ca -0.08 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2wqt n GLN 71 Cb 0.15 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.27 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 -1.07 0.68 0.00 1.69 4.32 -1.03 -5.04 117.00 116.56 2wqt n LEU 72 Ca 0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 56.01 55.31 2wqt n LEU 72 Cb 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2wqt n LEU 72 CO 0.00 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 2wqt n GLY 73 N -0.11 0.72 3.35 -0.72 0.00 -0.32 -4.22 105.19 103.89 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 0.95 0.00 1.61 -7.23 -0.31 -5.01 120.40 108.40 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 0.86 -0.90 -0.31 0.00 0.00 175.10 174.58 2wqt n ASP 75 N -0.49 1.62 -4.74 4.85 5.68 -1.26 -3.67 116.55 118.53 2wqt n ASP 75 Ca -0.03 -1.73 -0.29 0.00 -0.50 0.00 0.00 54.79 52.23 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 -0.73 2.74 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.86 2wqt s GLN 76 Ca 0.00 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 2wqt s GLN 76 Cb 0.00 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 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 0.33 2.22 -3.85 2.91 -0.04 -1.26 -4.95 135.00 130.37 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 -0.03 0.06 3.54 3.68 -0.55 -4.97 116.67 117.39 2wqt s ASP 78 Ca 0.00 -0.05 0.03 0.00 2.13 0.00 0.00 52.55 54.66 2wqt s ASP 78 Cb 0.00 0.25 -0.03 0.00 -1.45 0.00 0.00 42.92 41.69 2wqt s ASP 78 CO 0.00 -0.29 -0.10 0.72 0.13 0.00 0.00 175.17 175.63 2wqt s PHE 79 N -0.99 0.88 0.22 -5.34 -0.71 -1.26 -1.42 117.98 109.37 2wqt s PHE 79 Ca -0.11 -0.50 0.02 0.00 -1.04 0.00 0.00 56.93 55.30 2wqt s PHE 79 Cb -0.06 -0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 41.19 2wqt s PHE 79 CO 0.01 -0.03 0.04 0.20 -1.34 0.00 0.00 175.22 174.11 2wqt s GLY 80 N -1.71 1.49 -0.13 1.99 0.00 -0.49 -4.38 107.32 104.10 2wqt s GLY 80 Ca -0.06 -1.74 -0.04 0.00 0.00 0.00 0.00 44.72 42.88 2wqt s GLY 80 CO 0.01 -1.57 0.02 -1.59 0.00 0.00 0.00 173.10 169.97 2wqt s THR 81 N -3.68 4.46 -0.13 0.90 2.01 -1.26 -0.77 115.64 117.17 2wqt s THR 81 Ca 0.31 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2wqt s THR 81 Cb 0.07 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2wqt s THR 81 CO 0.09 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 173.81 2wqt s LEU 82 N -0.23 3.63 0.08 4.42 1.43 -0.33 -4.90 118.68 122.78 2wqt s LEU 82 Ca 0.06 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2wqt s LEU 82 Cb -0.12 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2wqt s LEU 82 CO 0.02 0.28 -0.07 -0.36 0.23 0.00 0.00 176.35 176.45 2wqt s PHE 83 N -0.31 2.82 0.30 0.29 0.08 -1.26 -0.89 117.98 119.00 2wqt s PHE 83 Ca 0.07 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.06 2wqt s PHE 83 Cb -0.12 -1.49 0.77 0.00 -0.57 0.00 0.00 43.02 41.60 2wqt s PHE 83 CO 0.02 0.42 1.70 0.00 -0.10 0.00 0.00 175.22 177.26 2wqt h ALA 84 N 3.80 1.50 0.00 5.36 0.00 -1.43 0.17 119.26 128.66 2wqt h ALA 84 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wqt h ALA 84 Cb 1.17 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wqt h ALA 84 CO 0.54 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 2wqt n ASP 85 N -5.04 0.00 0.01 0.00 5.75 -1.26 -2.13 116.55 113.88 2wqt n ASP 85 Ca 0.23 0.30 0.14 0.00 -0.01 0.00 0.00 54.79 55.45 2wqt n ASP 85 Cb 0.69 -0.40 0.54 0.00 -1.03 0.00 0.00 41.12 40.92 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 -1.40 0.02 -3.21 0.11 2.81 0.60 -4.84 117.12 111.21 2wqt n MET 86 Ca 0.05 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 2wqt n MET 86 Cb 0.14 -1.52 -0.07 0.00 -0.71 0.00 0.00 33.22 31.05 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 2.44 3.40 0.71 0.00 2.02 0.56 -4.99 117.35 121.49 2wqt s TYR 88 Ca 0.21 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.12 2wqt s TYR 88 Cb -0.15 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2wqt s TYR 88 CO 0.13 0.61 1.08 0.20 -1.57 0.00 0.00 175.55 176.00 2wqt s GLY 89 N -1.37 1.64 0.27 0.71 0.00 -1.26 -1.89 107.32 105.42 2wqt s GLY 89 Ca 0.19 -0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.39 2wqt s GLY 89 CO 0.09 0.14 1.42 1.34 0.00 0.00 0.00 173.10 176.09 2wqt n ASP 90 N -3.06 2.99 -2.41 1.64 4.64 -0.59 -2.80 116.55 116.95 2wqt n ASP 90 Ca 0.07 1.16 -0.18 0.00 -1.38 0.00 0.00 54.79 54.45 2wqt n ASP 90 Cb 0.56 -1.47 0.02 0.00 -1.04 0.00 0.00 41.12 39.19 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 1.86 -5.28 -4.87 1.67 4.05 0.68 -4.97 115.26 108.40 2wqt n ASN 91 Ca 0.09 -0.20 -0.21 0.00 0.45 0.00 0.00 54.58 54.72 2wqt n ASN 91 Cb 0.34 -4.16 0.07 0.00 1.23 0.00 0.00 39.78 37.25 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 -5.37 2.19 -0.22 1.20 2.12 -1.12 -4.89 118.70 112.60 2wqt s GLU 92 Ca 0.20 -1.14 -0.07 0.00 0.36 0.00 0.00 54.97 54.32 2wqt s GLU 92 Cb -0.09 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 2wqt s GLU 92 CO 0.25 -0.98 0.07 0.42 -0.54 0.00 0.00 175.26 174.48 2wqt s ILE 93 N -2.85 4.59 -0.21 -3.70 1.01 -1.26 -2.47 121.20 116.31 2wqt s ILE 93 Ca 0.61 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 2wqt s ILE 93 Cb -0.07 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2wqt s ILE 93 CO 0.40 0.39 0.10 -0.63 0.00 0.00 0.00 174.94 175.21 2wqt s ILE 94 N 1.02 5.03 0.15 2.92 1.01 0.29 -4.95 121.20 126.67 2wqt s ILE 94 Ca 0.04 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 2wqt s ILE 94 Cb -0.14 -3.30 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 2wqt s ILE 94 CO 0.03 0.42 1.81 -2.84 0.00 0.00 0.00 174.94 174.36 2wqt s PRO 95 N 0.65 4.13 0.45 2.79 0.02 -1.26 -1.62 135.00 140.15 2wqt s PRO 95 Ca 0.05 2.62 0.13 0.00 0.02 0.00 0.00 61.00 63.82 2wqt s PRO 95 Cb -0.13 -3.46 1.04 0.00 0.02 0.00 0.00 34.50 31.97 2wqt s PRO 95 CO 0.01 -0.83 2.03 0.35 -0.33 0.00 0.00 177.00 178.23 2wqt h PHE 96 N 8.16 0.37 0.00 6.54 3.57 -1.91 -2.02 116.94 131.65 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 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2wqt h PHE 96 CO 0.75 0.20 0.00 -1.13 -2.23 0.00 0.00 178.31 175.90 2wqt n SER 97 N -4.47 0.60 -0.18 0.41 3.41 -1.26 -3.88 113.62 108.24 2wqt n SER 97 Ca 0.06 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.23 2wqt n SER 97 Cb 0.26 -0.74 0.06 0.00 -0.26 0.00 0.00 64.21 63.53 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 0.55 -5.15 4.33 9.65 -1.74 -3.42 114.38 118.61 2wqt h ARG 98 Ca 0.00 -0.03 -0.66 0.00 -1.10 0.00 0.00 59.98 58.19 2wqt h ARG 98 Cb 0.53 -0.13 -0.28 0.00 -1.39 0.00 0.00 29.97 28.71 2wqt h ARG 98 CO 0.00 0.37 -0.75 0.08 2.80 0.00 0.00 179.97 182.47 2wqt s VAL 99 N -6.13 3.17 -0.11 0.20 1.01 -1.25 -5.05 120.40 112.25 2wqt s VAL 99 Ca -0.13 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2wqt s VAL 99 Cb 0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2wqt s VAL 99 CO 0.74 0.48 1.14 -0.22 0.00 0.00 0.00 175.10 177.24 2wqt s LEU 100 N 0.94 4.23 -1.01 3.92 2.96 -1.26 -3.90 118.68 124.57 2wqt s LEU 100 Ca -0.01 1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.46 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 -0.00 -0.59 0.80 0.00 -1.32 0.00 0.00 176.35 175.25 2wqt n GLN 101 N 5.50 -1.59 -2.74 1.98 6.02 -1.26 -1.30 117.38 124.00 2wqt n GLN 101 Ca 0.11 0.81 -0.38 0.00 -0.01 0.00 0.00 57.00 57.53 2wqt n GLN 101 Cb 0.47 -4.84 -0.06 0.00 1.02 0.00 0.00 30.24 26.83 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 -4.83 4.63 0.02 -1.09 0.04 -1.25 -4.00 135.00 128.51 2wqt s PRO 102 Ca 0.35 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2wqt s PRO 102 Cb -0.09 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 2wqt s PRO 102 CO 0.80 0.31 -0.06 1.03 0.04 0.00 0.00 177.00 179.12 2wqt s ARG 103 N -1.85 0.43 0.08 4.56 3.00 -0.38 -1.58 118.95 123.21 2wqt s ARG 103 Ca 0.48 -0.43 0.06 0.00 0.00 0.00 0.00 55.73 55.84 2wqt s ARG 103 Cb -0.21 -0.31 -0.04 0.00 0.00 0.00 0.00 34.95 34.39 2wqt s ARG 103 CO 0.27 0.07 -0.07 0.96 0.00 0.00 0.00 175.30 176.53 2wqt s ILE 104 N -0.68 3.60 0.04 1.52 -5.25 -0.67 0.32 121.20 120.07 2wqt s ILE 104 Ca -0.04 -1.09 0.00 0.00 -0.99 0.00 0.00 60.65 58.54 2wqt s ILE 104 Cb -0.05 -2.67 -0.03 0.00 2.95 0.00 0.00 42.46 42.66 2wqt s ILE 104 CO 0.00 0.17 -0.04 -1.83 -1.79 0.00 0.00 174.94 171.45 2wqt s GLU 105 N -2.07 0.48 0.07 0.37 -1.05 -0.41 -1.80 118.70 114.29 2wqt s GLU 105 Ca 0.22 -0.85 -0.17 0.00 -0.15 0.00 0.00 54.97 54.02 2wqt s GLU 105 Cb -0.11 0.01 -0.06 0.00 -0.44 0.00 0.00 34.13 33.52 2wqt s GLU 105 CO 0.14 -0.04 0.52 0.00 0.95 0.00 0.00 175.26 176.83 2wqt s ALA 106 N -2.19 3.62 0.08 -0.84 0.00 -1.26 -0.61 121.76 120.56 2wqt s ALA 106 Ca -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 2wqt s ALA 106 Cb -0.05 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2wqt s ALA 106 CO -0.03 0.43 0.09 -1.21 0.00 0.00 0.00 175.76 175.04 2wqt s GLU 107 N -1.27 0.78 -0.23 0.00 2.02 0.27 -1.08 118.70 119.19 2wqt s GLU 107 Ca 0.29 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 2wqt s GLU 107 Cb -0.18 0.28 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 2wqt s GLU 107 CO 0.18 -0.21 0.20 0.42 0.02 0.00 0.00 175.26 175.86 2wqt s ILE 108 N -3.92 5.34 -0.09 -1.63 1.01 -1.26 -0.82 121.20 119.83 2wqt s ILE 108 Ca 0.09 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 2wqt s ILE 108 Cb 0.06 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2wqt s ILE 108 CO -0.08 0.34 0.13 0.00 0.00 0.00 0.00 174.94 175.33 2wqt s ALA 109 N 1.01 3.81 0.03 9.38 0.00 0.50 -1.89 121.76 134.60 2wqt s ALA 109 Ca 0.10 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.45 2wqt s ALA 109 Cb -0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 2wqt s ALA 109 CO 0.04 0.64 -0.25 -0.51 0.00 0.00 0.00 175.76 175.68 2wqt s LEU 110 N -1.19 2.21 -0.03 0.00 1.43 -0.10 -1.06 118.68 119.94 2wqt s LEU 110 Ca 0.17 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 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 0.07 0.27 -0.22 -0.69 0.23 0.00 0.00 176.35 176.00 2wqt s VAL 111 N -0.78 2.34 -0.09 -1.59 1.01 -0.38 -0.60 120.40 120.31 2wqt s VAL 111 Ca 0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2wqt s VAL 111 Cb -0.10 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2wqt s VAL 111 CO 0.02 0.58 0.13 -0.76 0.00 0.00 0.00 175.10 175.07 2wqt s LEU 112 N -0.57 4.27 0.29 3.92 1.43 -1.02 0.51 118.68 127.51 2wqt s LEU 112 Ca 0.08 0.40 0.14 0.00 -1.03 0.00 0.00 54.13 53.72 2wqt s LEU 112 Cb -0.11 -2.15 0.38 0.00 0.03 0.00 0.00 46.19 44.35 2wqt s LEU 112 CO 0.00 0.37 1.60 0.78 0.23 0.00 0.00 176.35 179.34 2wqt h ASN 113 N 4.74 0.00 -5.17 2.29 2.35 -0.92 -1.07 115.58 117.80 2wqt h ASN 113 Ca -0.53 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.17 2wqt h ASN 113 Cb 1.22 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.48 2wqt h ASN 113 CO 0.60 0.56 -0.09 0.00 -1.65 0.00 0.00 177.43 176.84 2wqt s ARG 114 N -3.44 1.39 0.58 0.81 3.03 -1.26 -4.68 118.95 115.38 2wqt s ARG 114 Ca -0.00 -1.06 -0.19 0.00 2.03 0.00 0.00 55.73 56.51 2wqt s ARG 114 Cb 0.11 0.47 -0.04 0.00 -1.03 0.00 0.00 34.95 34.47 2wqt s ARG 114 CO 0.74 -0.57 1.20 -0.51 -1.13 0.00 0.00 175.30 175.03 2wqt s ASP 115 N -2.94 5.28 -0.64 -2.89 1.01 -1.26 -3.49 116.67 111.74 2wqt s ASP 115 Ca 0.15 2.38 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 0.02 -1.53 0.48 0.18 0.21 0.00 0.00 175.17 174.52 2wqt n LEU 116 N -1.50 2.26 0.17 1.23 4.77 -0.54 -4.91 117.00 118.49 2wqt n LEU 116 Ca 0.13 -5.04 0.06 0.00 -0.03 0.00 0.00 56.01 51.13 2wqt n LEU 116 Cb 0.49 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 2wqt n LEU 116 CO 0.45 1.80 0.60 1.55 -1.33 0.00 0.00 177.39 180.45 2wqt h PRO 117 N 5.35 0.00 -6.30 3.23 0.13 -1.93 -3.37 132.00 129.11 2wqt h PRO 117 Ca 0.18 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.76 2wqt h PRO 117 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 2wqt h PRO 117 CO 0.65 0.35 0.81 0.00 -0.23 0.00 0.00 178.00 179.58 2wqt s ALA 118 N -3.12 3.57 -1.50 -0.56 0.00 -1.26 -4.83 121.76 114.05 2wqt s ALA 118 Ca 0.04 0.69 0.25 0.00 0.00 0.00 0.00 51.96 52.95 2wqt s ALA 118 Cb 0.07 -3.58 1.32 0.00 0.00 0.00 0.00 23.12 20.93 2wqt s ALA 118 CO 0.71 -0.94 1.86 0.25 0.00 0.00 0.00 175.76 177.65 2wqt n THR 119 N 4.84 0.16 -1.81 0.00 -2.24 -1.26 -3.08 114.28 110.89 2wqt n THR 119 Ca 0.13 0.04 0.04 0.00 -2.27 0.00 0.00 64.05 61.99 2wqt n THR 119 Cb 0.45 -0.62 0.16 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.25 1.74 -4.67 3.42 3.85 -1.26 -4.78 116.55 113.60 2wqt n ASP 120 Ca 0.13 -3.51 -0.43 0.00 -0.71 0.00 0.00 54.79 50.27 2wqt n ASP 120 Cb 0.19 -0.47 -0.01 0.00 -1.35 0.00 0.00 41.12 39.47 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 -0.78 1.98 -4.02 2.12 3.06 -1.18 -4.99 119.36 115.56 2wqt n ILE 121 Ca 0.18 -0.50 -0.21 0.00 -2.50 0.00 0.00 62.75 59.72 2wqt n ILE 121 Cb 0.80 -1.43 -0.03 0.00 0.54 0.00 0.00 39.64 39.51 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 -1.07 4.99 0.24 9.51 -4.23 -1.26 -4.98 115.64 118.83 2wqt s THR 122 Ca 0.56 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 2wqt s THR 122 Cb -0.60 -3.71 0.26 0.00 1.34 0.00 0.00 72.50 69.79 2wqt s THR 122 CO 0.62 -0.33 1.64 0.15 -0.54 0.00 0.00 174.62 176.15 2wqt h PHE 123 N 1.29 -0.06 -0.15 3.99 3.57 -1.94 -0.44 116.94 123.20 2wqt h PHE 123 Ca -0.51 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 2wqt h PHE 123 Cb 1.23 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2wqt h PHE 123 CO 0.49 -0.23 -0.31 0.38 -2.23 0.00 0.00 178.31 176.41 2wqt h ASP 124 N 0.10 0.29 0.17 0.41 2.03 -2.00 -2.79 116.42 114.64 2wqt h ASP 124 Ca 0.39 -0.10 -0.13 0.00 -0.73 0.00 0.00 57.03 56.45 2wqt h ASP 124 Cb 0.66 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.08 2wqt h ASP 124 CO -0.64 0.59 -0.49 -0.33 -1.03 0.00 0.00 179.24 177.34 2wqt h GLU 125 N 0.25 0.37 -0.61 4.15 5.08 -1.51 -2.88 114.58 119.44 2wqt h GLU 125 Ca 0.03 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2wqt h GLU 125 Cb 0.68 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2wqt h GLU 125 CO 0.05 0.79 0.06 1.25 -1.00 0.00 0.00 179.01 180.16 2wqt h LEU 126 N 0.30 0.98 -0.68 1.33 5.85 -1.09 -2.92 115.31 119.08 2wqt h LEU 126 Ca 0.01 -0.24 0.14 0.00 0.84 0.00 0.00 57.88 58.63 2wqt h LEU 126 Cb 0.98 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.64 2wqt h LEU 126 CO 0.08 1.00 0.12 1.88 -0.34 0.00 0.00 178.44 181.19 2wqt h TYR 127 N 0.95 0.18 0.00 1.25 0.05 -1.27 0.98 116.97 119.10 2wqt h TYR 127 Ca 0.18 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2wqt h TYR 127 Cb 0.47 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2wqt h TYR 127 CO 0.03 -0.09 0.00 -1.71 -1.05 0.00 0.00 178.16 175.34 2wqt n ASN 128 N -5.18 0.36 -0.34 3.88 2.85 -1.11 -2.61 115.26 113.11 2wqt n ASN 128 Ca 0.12 0.60 0.11 0.00 -0.11 0.00 0.00 54.58 55.30 2wqt n ASN 128 Cb 0.40 -0.67 0.07 0.00 1.24 0.00 0.00 39.78 40.82 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 -1.65 3.65 -2.67 5.20 0.00 0.33 -4.89 120.51 120.47 2wqt n ALA 129 Ca 0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 2wqt n ALA 129 Cb 0.17 -0.88 -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 -2.59 4.88 -0.19 0.00 1.01 -1.07 -0.26 121.20 122.98 2wqt s ILE 130 Ca 0.18 1.60 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 2wqt s ILE 130 Cb 0.18 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.37 2wqt s ILE 130 CO 0.61 0.02 0.15 -0.08 0.00 0.00 0.00 174.94 175.64 2wqt h GLU 131 N 7.38 0.00 -4.86 2.79 4.81 -0.22 -3.44 114.58 121.04 2wqt h GLU 131 Ca -0.29 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.58 2wqt h GLU 131 Cb 1.13 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.26 2wqt h GLU 131 CO 0.84 0.76 -0.77 -1.58 -0.73 0.00 0.00 179.01 177.53 2wqt s TRP 132 N -2.31 0.88 -0.11 0.92 0.52 -1.06 -4.57 118.94 113.21 2wqt s TRP 132 Ca -0.25 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.56 2wqt s TRP 132 Cb 0.04 -0.53 -0.00 0.00 -1.15 0.00 0.00 33.47 31.83 2wqt s TRP 132 CO 0.50 -0.01 -0.21 0.54 0.02 0.00 0.00 176.95 177.79 2wqt s VAL 133 N -0.86 2.34 0.04 4.03 0.11 0.42 -1.25 120.40 125.23 2wqt s VAL 133 Ca -0.02 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2wqt s VAL 133 Cb -0.07 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.83 2wqt s VAL 133 CO 0.01 0.55 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.81 2wqt s LEU 134 N 0.36 2.38 0.31 2.54 2.34 -0.22 -1.77 118.68 124.62 2wqt s LEU 134 Ca -0.16 -0.77 -0.27 0.00 0.06 0.00 0.00 54.13 52.98 2wqt s LEU 134 Cb -0.17 0.11 -0.09 0.00 -0.56 0.00 0.00 46.19 45.47 2wqt s LEU 134 CO 0.08 -0.44 0.99 -2.16 -1.06 0.00 0.00 176.35 173.75 2wqt s PRO 135 N -2.79 4.57 0.05 1.48 0.04 -1.26 -0.37 135.00 136.72 2wqt s PRO 135 Ca -0.03 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2wqt s PRO 135 Cb -0.01 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2wqt s PRO 135 CO -0.05 0.24 -0.04 0.00 0.04 0.00 0.00 177.00 177.19 2wqt s ALA 136 N -1.46 0.53 -0.08 8.56 0.00 -0.00 -1.02 121.76 128.29 2wqt s ALA 136 Ca 0.49 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2wqt s ALA 136 Cb -0.23 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2wqt s ALA 136 CO 0.29 -0.27 -0.13 -0.51 0.00 0.00 0.00 175.76 175.14 2wqt s LEU 137 N -2.53 2.80 -0.21 0.00 1.43 -0.00 -0.57 118.68 119.60 2wqt s LEU 137 Ca 0.02 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2wqt s LEU 137 Cb 0.02 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2wqt s LEU 137 CO -0.06 0.28 -0.02 -0.70 0.23 0.00 0.00 176.35 176.08 2wqt s GLU 138 N -0.35 3.48 -0.70 1.70 2.12 0.22 -0.81 118.70 124.35 2wqt s GLU 138 Ca 0.04 -0.58 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 2wqt s GLU 138 Cb -0.12 -3.04 0.11 0.00 0.26 0.00 0.00 34.13 31.34 2wqt s GLU 138 CO 0.02 -0.11 0.86 0.08 -0.54 0.00 0.00 175.26 175.58 2wqt s VAL 139 N 1.28 4.76 0.52 3.70 1.01 -0.05 -1.29 120.40 130.33 2wqt s VAL 139 Ca 0.04 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 2wqt s VAL 139 Cb -0.14 -4.60 -0.08 0.00 0.00 0.00 0.00 36.38 31.56 2wqt s VAL 139 CO -0.01 -1.28 0.99 0.68 0.00 0.00 0.00 175.10 175.49 2wqt s VAL 140 N 2.77 4.52 0.09 2.92 -7.23 0.15 -1.78 120.40 121.84 2wqt s VAL 140 Ca 0.19 1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 61.52 2wqt s VAL 140 Cb -0.17 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 2wqt s VAL 140 CO 0.02 -0.69 0.10 -0.83 -0.31 0.00 0.00 175.10 173.39 2wqt s GLY 141 N -3.08 0.37 -0.08 2.32 0.00 -0.34 -1.25 107.32 105.26 2wqt s GLY 141 Ca 0.59 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.37 2wqt s GLY 141 CO 0.32 -1.06 -0.15 -0.45 0.00 0.00 0.00 173.10 171.76 2wqt s SER 142 N -2.91 2.09 0.00 1.64 0.15 -0.42 -4.24 113.70 110.01 2wqt s SER 142 Ca 0.09 -0.36 0.30 0.00 0.70 0.00 0.00 55.95 56.68 2wqt s SER 142 Cb 0.06 -0.96 1.39 0.00 -1.71 0.00 0.00 66.02 64.80 2wqt s SER 142 CO -0.08 0.05 1.93 0.54 1.20 0.00 0.00 173.24 176.88 2wqt n ARG 143 N 3.83 1.36 -4.25 5.44 3.00 -1.26 -4.51 116.66 120.27 2wqt n ARG 143 Ca -0.22 -0.56 -0.34 0.00 -0.01 0.00 0.00 57.85 56.72 2wqt n ARG 143 Cb 0.52 -1.49 -0.11 0.00 0.00 0.00 0.00 32.46 31.38 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 -2.02 4.28 -0.12 0.55 1.01 -1.26 -0.64 121.20 122.99 2wqt s ILE 144 Ca 0.41 -0.22 -0.33 0.00 0.00 0.00 0.00 60.65 60.51 2wqt s ILE 144 Cb 0.21 -2.89 -0.15 0.00 0.01 0.00 0.00 42.46 39.64 2wqt s ILE 144 CO 0.36 0.50 0.96 -1.14 0.00 0.00 0.00 174.94 175.61 2wqt n ARG 145 N 3.35 0.00 -3.02 2.79 0.63 0.42 -2.80 116.66 118.03 2wqt n ARG 145 Ca -0.17 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.57 2wqt n ARG 145 Cb 0.52 -1.16 -0.00 0.00 0.45 0.00 0.00 32.46 32.27 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 1.78 -3.80 -2.09 6.15 8.00 -1.26 -1.05 116.55 124.29 2wqt n ASP 146 Ca 0.18 -0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 2wqt n ASP 146 Cb 0.03 -3.17 -0.02 0.00 -0.02 0.00 0.00 41.12 37.94 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 -3.74 -1.22 -2.46 1.24 7.02 -1.12 -4.85 117.44 112.31 2wqt n TRP 147 Ca -0.06 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.03 2wqt n TRP 147 Cb 0.57 -2.32 -0.02 0.00 -2.42 0.00 0.00 31.31 27.11 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 -1.96 6.35 -0.06 -0.99 0.15 -0.21 -4.93 113.70 112.04 2wqt s SER 148 Ca 0.00 -1.91 0.04 0.00 0.70 0.00 0.00 55.95 54.78 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 -1.67 -0.19 -0.51 1.20 0.00 0.00 173.24 172.07 2wqt s ILE 149 N 5.88 1.65 0.46 6.45 1.10 -1.26 -4.78 121.20 130.69 2wqt s ILE 149 Ca 0.55 -0.81 0.06 0.00 -0.51 0.00 0.00 60.65 59.94 2wqt s ILE 149 Cb 0.01 -1.42 -0.01 0.00 0.15 0.00 0.00 42.46 41.19 2wqt s ILE 149 CO 0.03 0.47 0.30 -1.10 -2.11 0.00 0.00 174.94 172.53 2wqt s GLN 150 N 0.18 2.31 0.18 3.50 -1.52 -1.26 -4.99 119.66 118.07 2wqt s GLN 150 Ca -0.09 -1.86 -0.21 0.00 -1.95 0.00 0.00 55.36 51.25 2wqt s GLN 150 Cb -0.14 -2.10 0.11 0.00 -0.22 0.00 0.00 33.01 30.66 2wqt s GLN 150 CO 0.04 -0.32 1.59 0.35 -0.25 0.00 0.00 175.29 176.70 2wqt h PHE 151 N 1.09 -0.91 -0.38 0.91 3.57 -1.89 -0.50 116.94 118.83 2wqt h PHE 151 Ca -0.40 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 2wqt h PHE 151 Cb 1.28 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 2wqt h PHE 151 CO 0.77 -0.38 0.22 0.28 -2.23 0.00 0.00 178.31 176.97 2wqt h VAL 152 N -0.18 1.11 -0.12 1.41 2.07 -1.92 -2.18 116.25 116.43 2wqt h VAL 152 Ca 0.22 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2wqt h VAL 152 Cb 0.54 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2wqt h VAL 152 CO -0.65 0.12 -0.03 0.44 0.02 0.00 0.00 177.57 177.47 2wqt h ASP 153 N 0.52 0.24 0.12 0.57 3.32 -1.49 -2.86 116.42 116.85 2wqt h ASP 153 Ca 0.14 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2wqt h ASP 153 Cb -0.01 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2wqt h ASP 153 CO -0.03 0.55 -0.06 0.74 -1.72 0.00 0.00 179.24 178.73 2wqt h THR 154 N -0.07 0.95 -0.13 0.35 2.02 -1.16 -2.14 112.91 112.72 2wqt h THR 154 Ca 0.03 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2wqt h THR 154 Cb 0.44 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 2wqt h THR 154 CO 0.01 0.06 -0.15 0.58 0.37 0.00 0.00 175.52 176.39 2wqt h VAL 155 N -0.26 0.59 -1.00 3.16 2.07 -1.46 0.29 116.25 119.63 2wqt h VAL 155 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2wqt h VAL 155 Cb 0.21 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 2wqt h VAL 155 CO 0.03 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.25 2wqt h ALA 156 N 0.88 1.48 -0.14 1.67 0.00 -1.51 -1.63 119.26 120.01 2wqt h ALA 156 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2wqt h ALA 156 Cb 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wqt h ALA 156 CO -0.24 0.26 0.10 -3.47 0.00 0.00 0.00 179.25 175.90 2wqt n ASP 157 N -4.60 3.82 -3.72 0.00 4.64 0.04 -3.81 116.55 112.92 2wqt n ASP 157 Ca 0.18 -2.33 -0.24 0.00 -1.38 0.00 0.00 54.79 51.03 2wqt n ASP 157 Cb 0.32 -0.70 0.04 0.00 -1.04 0.00 0.00 41.12 39.74 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 0.52 -3.10 -3.69 1.67 5.15 -0.62 -2.04 115.26 113.15 2wqt n ASN 158 Ca 0.08 -0.74 -0.28 0.00 -0.60 0.00 0.00 54.58 53.04 2wqt n ASN 158 Cb 0.62 -4.29 0.02 0.00 -0.53 0.00 0.00 39.78 35.60 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 -4.48 -1.18 -4.11 5.20 0.00 0.79 -1.80 120.51 114.93 2wqt n ALA 159 Ca -0.15 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2wqt n ALA 159 Cb 0.61 -3.93 -0.02 0.00 0.00 0.00 0.00 19.45 16.12 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 -2.64 -2.79 -4.78 0.00 7.64 -0.87 -4.88 113.62 105.30 2wqt n SER 160 Ca 0.01 -0.97 -0.36 0.00 1.01 0.00 0.00 58.87 58.56 2wqt n SER 160 Cb 0.54 -3.01 -0.01 0.00 -1.01 0.00 0.00 64.21 60.71 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 0.21 0.74 3.25 0.00 0.00 -1.00 -4.12 105.19 104.27 2wqt n GLY 162 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.23 0.18 0.05 1.61 -7.23 -0.73 -4.89 120.40 109.62 2wqt s VAL 163 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2wqt s VAL 163 Cb 0.00 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2wqt s VAL 163 CO 0.00 0.00 -0.03 -0.72 -0.31 0.00 0.00 175.10 174.04 2wqt s TYR 164 N -3.93 0.52 -0.02 2.82 1.13 -0.01 -0.87 117.35 117.00 2wqt s TYR 164 Ca 0.38 -0.98 0.03 0.00 -1.41 0.00 0.00 57.07 55.09 2wqt s TYR 164 Cb 0.07 -0.38 -0.00 0.00 -1.10 0.00 0.00 41.96 40.54 2wqt s TYR 164 CO 0.14 -0.33 -0.12 0.54 -2.51 0.00 0.00 175.55 173.27 2wqt s VAL 165 N -3.56 0.97 -0.11 -3.49 0.11 0.01 -0.32 120.40 114.00 2wqt s VAL 165 Ca 0.04 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2wqt s VAL 165 Cb 0.05 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 2wqt s VAL 165 CO -0.08 0.28 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.26 2wqt s ILE 166 N -0.09 3.50 0.00 7.04 1.01 -0.79 -0.82 121.20 131.05 2wqt s ILE 166 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2wqt s ILE 166 Cb -0.07 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2wqt s ILE 166 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2wqt n GLY 167 N 3.06 3.44 3.83 6.18 0.00 -0.19 -1.54 105.19 119.97 2wqt n GLY 167 Ca -0.18 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 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 0.06 0.72 -0.02 0.00 -1.12 -4.68 107.32 102.29 2wqt s GLY 168 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 2wqt s GLY 168 CO 0.00 1.03 1.07 -4.14 0.00 0.00 0.00 173.10 171.06 2wqt s PRO 169 N -2.61 2.69 0.11 2.90 0.02 -1.25 -1.42 135.00 135.45 2wqt s PRO 169 Ca 0.17 0.96 -0.30 0.00 0.02 0.00 0.00 61.00 61.85 2wqt s PRO 169 Cb -0.03 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 2wqt s PRO 169 CO 0.06 -1.27 1.11 0.00 -0.33 0.00 0.00 177.00 176.57 2wqt s ALA 170 N -3.03 3.34 0.08 -1.55 0.00 -1.26 -4.64 121.76 114.71 2wqt s ALA 170 Ca 0.59 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.42 2wqt s ALA 170 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2wqt s ALA 170 CO 0.55 -0.28 -0.25 -0.65 0.00 0.00 0.00 175.76 175.13 2wqt s GLN 171 N 0.32 1.53 0.33 0.00 -1.52 -0.73 -4.98 119.66 114.62 2wqt s GLN 171 Ca 0.53 -1.19 -0.19 0.00 -1.95 0.00 0.00 55.36 52.56 2wqt s GLN 171 Cb -0.28 -1.83 -0.09 0.00 -0.22 0.00 0.00 33.01 30.58 2wqt s GLN 171 CO 0.32 0.45 0.82 1.03 -0.25 0.00 0.00 175.29 177.67 2wqt s ARG 172 N -1.61 4.22 0.39 2.91 1.81 -1.26 -0.44 118.95 124.97 2wqt s ARG 172 Ca 0.12 0.94 0.16 0.00 -1.72 0.00 0.00 55.73 55.23 2wqt s ARG 172 Cb -0.10 -2.53 0.82 0.00 -0.45 0.00 0.00 34.95 32.69 2wqt s ARG 172 CO 0.04 0.18 1.85 -1.00 -0.68 0.00 0.00 175.30 175.69 2wqt h PRO 173 N 2.59 0.00 -6.21 3.54 0.13 -1.85 -3.42 132.00 126.79 2wqt h PRO 173 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 2wqt h PRO 173 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wqt h PRO 173 CO 0.64 0.33 1.24 0.00 -0.23 0.00 0.00 178.00 179.99 2wqt n ALA 174 N -2.42 1.23 0.00 -0.56 0.00 -1.26 -1.58 120.51 115.92 2wqt n ALA 174 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2wqt n ALA 174 Cb 0.39 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 4.93 2.18 3.73 0.00 0.00 -1.26 -5.02 105.19 109.75 2wqt n GLY 175 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 4.43 -0.61 0.99 1.43 -0.61 -4.98 118.68 119.32 2wqt s LEU 176 Ca 0.00 2.28 -0.23 0.00 -1.03 0.00 0.00 54.13 55.15 2wqt s LEU 176 Cb 0.00 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.68 2wqt s LEU 176 CO 0.00 -0.45 0.93 -0.62 0.23 0.00 0.00 176.35 176.44 2wqt s ASP 177 N 0.35 6.23 0.05 2.29 3.68 -1.26 -4.87 116.67 123.14 2wqt s ASP 177 Ca 0.55 -0.77 0.23 0.00 2.13 0.00 0.00 52.55 54.69 2wqt s ASP 177 Cb -0.34 -2.41 0.07 0.00 -1.45 0.00 0.00 42.92 38.79 2wqt s ASP 177 CO 0.36 -1.33 1.05 0.18 0.13 0.00 0.00 175.17 175.57 2wqt n LEU 178 N 7.51 0.62 -0.06 -1.34 4.77 -1.26 -4.21 117.00 123.02 2wqt n LEU 178 Ca -0.02 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.75 2wqt n LEU 178 Cb 0.46 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 2wqt n LEU 178 CO 0.63 0.04 -0.26 0.50 -1.33 0.00 0.00 177.39 176.97 2wqt h LYS 179 N 0.00 0.07 -0.90 3.23 3.64 -1.92 -3.40 116.57 117.29 2wqt h LYS 179 Ca 0.00 -0.12 -0.56 0.00 -1.27 0.00 0.00 60.65 58.70 2wqt h LYS 179 Cb 0.72 0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 32.30 2wqt h LYS 179 CO 0.00 1.06 0.52 0.09 -2.27 0.00 0.00 179.45 178.85 2wqt n ASN 180 N -4.32 5.63 -4.49 4.20 4.13 -1.26 -2.27 115.26 116.88 2wqt n ASN 180 Ca -0.24 -3.73 -0.43 0.00 1.68 0.00 0.00 54.58 51.85 2wqt n ASN 180 Cb 0.70 -0.83 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 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 4.01 3.36 -0.06 0.00 0.00 -1.26 -2.52 121.76 125.28 2wqt s ALA 182 Ca 0.26 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.43 2wqt s ALA 182 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2wqt s ALA 182 CO 0.15 -0.63 -0.18 1.41 0.00 0.00 0.00 175.76 176.51 2wqt s MET 183 N -1.98 2.09 -0.03 0.00 0.00 0.07 -0.65 119.30 118.80 2wqt s MET 183 Ca 0.52 -0.63 0.05 0.00 0.00 0.00 0.00 55.69 55.64 2wqt s MET 183 Cb -0.37 -1.71 -0.01 0.00 0.00 0.00 0.00 34.83 32.74 2wqt s MET 183 CO 0.48 0.17 -0.20 0.15 0.00 0.00 0.00 175.02 175.62 2wqt s LYS 184 N 0.29 1.81 -0.06 4.11 -0.14 -0.88 -2.08 119.74 122.80 2wqt s LYS 184 Ca -0.11 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 53.84 2wqt s LYS 184 Cb -0.14 -1.64 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2wqt s LYS 184 CO 0.04 0.35 -0.16 1.41 -0.76 0.00 0.00 175.35 176.24 2wqt s MET 185 N -0.23 1.85 0.04 1.68 1.75 -0.13 -0.58 119.30 123.69 2wqt s MET 185 Ca 0.02 -0.54 0.05 0.00 -1.25 0.00 0.00 55.69 53.96 2wqt s MET 185 Cb -0.10 -1.54 -0.04 0.00 2.84 0.00 0.00 34.83 35.99 2wqt s MET 185 CO 0.01 0.14 -0.07 0.95 -0.65 0.00 0.00 175.02 175.40 2wqt s THR 186 N 0.34 3.57 -0.16 10.11 -4.23 0.04 -0.90 115.64 124.41 2wqt s THR 186 Ca -0.10 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 2wqt s THR 186 Cb -0.14 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 2wqt s THR 186 CO 0.04 0.28 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.70 2wqt s ARG 187 N -1.76 3.43 -1.68 3.99 3.52 -0.35 -1.95 118.95 124.16 2wqt s ARG 187 Ca 0.19 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 55.05 2wqt s ARG 187 Cb -0.11 -2.78 0.11 0.00 -1.56 0.00 0.00 34.95 30.60 2wqt s ARG 187 CO 0.11 0.11 0.34 0.09 -0.81 0.00 0.00 175.30 175.13 2wqt n ASN 188 N 3.86 -0.62 0.00 -2.12 3.02 0.01 -1.63 115.26 117.78 2wqt n ASN 188 Ca -0.18 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2wqt n ASN 188 Cb 0.52 -1.84 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 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 -2.71 -2.90 -4.11 6.41 3.02 -1.26 -5.04 115.26 108.66 2wqt n ASN 189 Ca -0.12 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 2wqt n ASN 189 Cb 0.58 -0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.01 1.22 0.22 3.52 -1.05 -0.65 -5.03 118.70 116.92 2wqt s GLU 190 Ca 0.00 -0.52 -0.32 0.00 -0.15 0.00 0.00 54.97 53.98 2wqt s GLU 190 Cb 0.00 -1.16 -0.12 0.00 -0.44 0.00 0.00 34.13 32.41 2wqt s GLU 190 CO 0.00 0.30 1.71 -1.91 0.95 0.00 0.00 175.26 176.31 2wqt n GLU 191 N 2.78 2.76 0.00 -4.83 2.13 -1.26 -1.21 120.64 121.01 2wqt n GLU 191 Ca -0.15 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2wqt n GLU 191 Cb 0.55 -2.83 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 3.77 0.00 -3.56 6.31 0.24 -0.08 -4.87 118.33 120.14 2wqt n VAL 192 Ca 0.15 -0.13 -0.17 0.00 -2.04 0.00 0.00 64.34 62.16 2wqt n VAL 192 Cb 0.35 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.80 -0.62 0.21 -1.34 0.15 -1.14 -4.94 113.70 105.21 2wqt s SER 193 Ca 0.00 0.74 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 2wqt s SER 193 Cb 0.00 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2wqt s SER 193 CO 0.00 -0.55 0.53 -0.94 1.20 0.00 0.00 173.24 173.49 2wqt s SER 194 N -1.01 -0.24 0.00 5.45 1.04 -1.26 -0.96 113.70 116.71 2wqt s SER 194 Ca -0.10 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2wqt s SER 194 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2wqt s SER 194 CO 0.08 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2wqt n GLY 195 N -0.35 -0.62 3.51 7.32 0.00 -0.88 -4.35 105.19 109.81 2wqt n GLY 195 Ca -0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.63 1.33 0.43 1.61 1.70 -1.01 -0.75 118.95 121.62 2wqt s ARG 196 Ca 0.00 -0.55 0.24 0.00 -0.47 0.00 0.00 55.73 54.95 2wqt s ARG 196 Cb 0.00 0.57 1.25 0.00 -0.57 0.00 0.00 34.95 36.20 2wqt s ARG 196 CO 0.00 -0.59 1.74 0.78 -1.08 0.00 0.00 175.30 176.15 2wqt h GLY 197 N 2.00 1.06 2.00 3.88 0.00 -1.45 -1.58 103.07 108.99 2wqt h GLY 197 Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2wqt h GLY 197 CO 0.35 -0.18 0.00 1.48 0.00 0.00 0.00 176.54 178.18 2wqt h SER 198 N 0.26 0.00 1.11 0.19 4.64 -1.63 -2.44 113.55 115.68 2wqt h SER 198 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2wqt h SER 198 Cb 1.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 2wqt h SER 198 CO -0.29 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.34 2wqt h GLU 199 N 0.00 0.00 -3.46 4.77 5.08 -1.57 -2.62 114.58 116.79 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 0.37 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.35 2wqt h GLU 199 CO 0.00 0.00 0.68 0.00 -1.00 0.00 0.00 179.01 178.69 2wqt n LEU 201 N 2.53 -1.85 0.00 0.00 4.77 -0.83 -2.19 117.00 119.43 2wqt n LEU 201 Ca 0.26 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2wqt n LEU 201 Cb 0.37 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.02 2wqt n LEU 201 CO 0.57 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2wqt n GLY 202 N -1.20 2.69 3.65 -0.72 0.00 -0.99 -4.76 105.19 103.85 2wqt n GLY 202 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.00 -0.34 0.44 1.61 5.65 -0.93 -4.23 115.29 116.50 2wqt s HIS 203 Ca 0.00 0.71 0.19 0.00 0.25 0.00 0.00 55.06 56.21 2wqt s HIS 203 Cb 0.00 0.28 1.14 0.00 -1.18 0.00 0.00 32.58 32.82 2wqt s HIS 203 CO 0.00 -0.17 1.90 -1.35 -0.65 0.00 0.00 174.74 174.47 2wqt h PRO 204 N 5.04 0.32 0.00 2.88 0.11 -1.68 0.66 132.00 139.33 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 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wqt h PRO 204 CO 0.19 0.21 0.00 -0.07 -0.21 0.00 0.00 178.00 178.12 2wqt h LEU 205 N 0.33 0.00 -0.44 2.35 3.38 -1.93 -2.49 115.31 116.51 2wqt h LEU 205 Ca 0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 2wqt h LEU 205 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2wqt h LEU 205 CO -0.12 0.00 -0.08 0.78 0.09 0.00 0.00 178.44 179.11 2wqt h ASN 206 N 0.00 0.83 -0.64 -0.43 2.35 -1.16 0.68 115.58 117.21 2wqt h ASN 206 Ca 0.00 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 2wqt h ASN 206 Cb 0.52 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2wqt h ASN 206 CO 0.00 0.99 0.38 0.00 -1.65 0.00 0.00 177.43 177.15 2wqt h ALA 207 N 0.87 0.82 -0.67 -0.83 0.00 -1.49 0.04 119.26 118.01 2wqt h ALA 207 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2wqt h ALA 207 Cb 0.61 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2wqt h ALA 207 CO 0.04 0.31 0.31 0.00 0.00 0.00 0.00 179.25 179.90 2wqt h ALA 208 N 1.19 0.86 0.05 0.00 0.00 -1.31 -1.09 119.26 118.97 2wqt h ALA 208 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 208 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wqt h ALA 208 CO -0.04 0.44 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 2wqt h VAL 209 N 0.93 1.06 -0.59 0.00 2.07 -0.59 -0.23 116.25 118.89 2wqt h VAL 209 Ca 0.23 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.49 2wqt h VAL 209 Cb 0.14 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 2wqt h VAL 209 CO -0.03 0.09 0.11 -0.25 0.02 0.00 0.00 177.57 177.52 2wqt h TRP 210 N -0.23 0.17 -0.19 1.57 7.01 -0.88 -1.74 115.95 121.66 2wqt h TRP 210 Ca -0.01 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2wqt h TRP 210 Cb 0.21 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2wqt h TRP 210 CO -0.02 -0.04 0.03 1.25 -2.79 0.00 0.00 178.44 176.87 2wqt h LEU 211 N 0.24 0.30 -0.86 0.65 5.85 -0.99 -2.17 115.31 118.33 2wqt h LEU 211 Ca 0.31 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2wqt h LEU 211 Cb 0.45 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2wqt h LEU 211 CO -0.40 0.48 0.51 0.00 -0.34 0.00 0.00 178.44 178.69 2wqt h ALA 212 N 0.82 1.22 0.09 1.25 0.00 -0.57 -0.84 119.26 121.23 2wqt h ALA 212 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wqt h ALA 212 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wqt h ALA 212 CO 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 2wqt h ARG 213 N 0.87 -0.12 -0.15 0.00 3.08 -1.24 -2.10 114.38 114.72 2wqt h ARG 213 Ca 0.40 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.51 2wqt h ARG 213 Cb 0.32 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 2wqt h ARG 213 CO -0.23 0.15 -0.33 0.87 -1.07 0.00 0.00 179.97 179.36 2wqt h LYS 214 N -0.39 -0.39 -0.92 0.04 1.79 -0.93 -0.36 116.57 115.41 2wqt h LYS 214 Ca -0.01 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2wqt h LYS 214 Cb 0.33 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 2wqt h LYS 214 CO 0.02 -0.26 0.61 0.52 -1.08 0.00 0.00 179.45 179.26 2wqt h MET 215 N -0.40 1.18 -0.57 3.15 2.86 -1.18 -0.23 114.93 119.74 2wqt h MET 215 Ca 0.10 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2wqt h MET 215 Cb 0.56 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2wqt h MET 215 CO -0.37 0.78 0.11 0.00 1.06 0.00 0.00 176.91 178.50 2wqt h ALA 216 N 1.44 0.75 0.00 6.32 0.00 -0.92 -0.45 119.26 126.40 2wqt h ALA 216 Ca 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wqt h ALA 216 Cb -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2wqt h ALA 216 CO -0.09 0.48 -0.10 0.66 0.00 0.00 0.00 179.25 180.20 2wqt h SER 217 N 0.82 0.00 0.29 0.00 4.64 -0.04 -2.49 113.55 116.78 2wqt h SER 217 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2wqt h SER 217 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wqt h SER 217 CO 0.01 0.10 -0.02 0.18 -0.87 0.00 0.00 176.83 176.23 2wqt n LEU 218 N -3.16 0.15 -0.23 5.97 4.32 -0.20 -4.90 117.00 118.95 2wqt n LEU 218 Ca 0.02 0.09 -0.03 0.00 -0.02 0.00 0.00 56.01 56.08 2wqt n LEU 218 Cb 0.48 -0.15 -0.01 0.00 -1.62 0.00 0.00 43.42 42.12 2wqt n LEU 218 CO 0.33 0.03 -0.03 0.61 -1.22 0.00 0.00 177.39 177.11 2wqt n GLY 219 N 1.17 0.62 2.55 -0.72 0.00 -0.94 -4.97 105.19 102.91 2wqt n GLY 219 Ca 0.18 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.60 2.49 -1.70 1.61 1.02 -0.20 -5.03 120.64 116.23 2wqt n GLU 220 Ca -0.03 -4.51 -0.39 0.00 -0.02 0.00 0.00 57.16 52.21 2wqt n GLU 220 Cb 0.14 -2.11 0.04 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.51 1.45 -1.75 3.49 -0.02 -1.18 -4.43 135.00 133.07 2wqt n PRO 221 Ca 0.29 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 2wqt n PRO 221 Cb 0.43 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2wqt n PRO 221 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wqt n LEU 222 N -0.88 4.40 -4.93 2.45 4.77 -1.26 -4.87 117.00 116.69 2wqt n LEU 222 Ca 0.11 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.97 2wqt n LEU 222 Cb 0.45 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.91 2wqt n LEU 222 CO 0.52 0.13 -0.09 -0.13 -1.33 0.00 0.00 177.39 176.49 2wqt s ARG 223 N -0.82 3.47 0.23 3.23 0.52 -1.26 -1.47 118.95 122.84 2wqt s ARG 223 Ca 0.62 -0.44 -0.31 0.00 -0.52 0.00 0.00 55.73 55.08 2wqt s ARG 223 Cb -0.50 -2.97 -0.14 0.00 0.52 0.00 0.00 34.95 31.86 2wqt s ARG 223 CO 0.52 0.54 1.26 -2.37 0.02 0.00 0.00 175.30 175.27 2wqt n THR 224 N -0.10 1.14 0.00 0.02 5.66 -1.23 -1.83 114.28 117.94 2wqt n THR 224 Ca -0.05 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2wqt n THR 224 Cb 0.52 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 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 1.89 1.89 3.74 1.09 0.00 -0.41 -4.92 105.19 108.48 2wqt n GLY 225 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.05 4.96 -0.10 1.61 -0.00 -0.76 -4.65 116.67 115.68 2wqt s ASP 226 Ca 0.00 2.69 -0.03 0.00 -0.00 0.00 0.00 52.55 55.20 2wqt s ASP 226 Cb 0.00 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 2wqt s ASP 226 CO 0.00 -1.77 0.03 -0.51 -0.00 0.00 0.00 175.17 172.92 2wqt s ILE 227 N -1.36 4.56 -0.15 0.77 2.07 -0.06 -2.43 121.20 124.61 2wqt s ILE 227 Ca 0.77 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 2wqt s ILE 227 Cb -0.39 -2.94 0.02 0.00 0.13 0.00 0.00 42.46 39.28 2wqt s ILE 227 CO 0.43 0.60 -0.16 -0.63 -1.91 0.00 0.00 174.94 173.27 2wqt s ILE 228 N -0.81 1.73 -0.33 2.00 1.01 0.23 -1.92 121.20 123.10 2wqt s ILE 228 Ca 0.13 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 2wqt s ILE 228 Cb -0.12 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 2wqt s ILE 228 CO 0.03 0.49 0.64 -0.76 0.00 0.00 0.00 174.94 175.33 2wqt s LEU 229 N 1.32 4.20 0.00 2.97 1.43 -0.68 -0.93 118.68 126.99 2wqt s LEU 229 Ca 0.03 0.29 0.30 0.00 -1.03 0.00 0.00 54.13 53.71 2wqt s LEU 229 Cb -0.13 -2.81 1.45 0.00 0.03 0.00 0.00 46.19 44.72 2wqt s LEU 229 CO -0.09 -0.54 1.97 0.35 0.23 0.00 0.00 176.35 178.26 2wqt n THR 230 N 5.50 0.00 0.00 5.49 -2.24 -0.79 -0.52 114.28 121.72 2wqt n THR 230 Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2wqt n THR 230 Cb 0.49 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 3.08 3.73 3.38 0.00 -1.22 -4.75 105.19 110.55 2wqt n GLY 231 Ca 0.19 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.87 3.71 -0.27 4.61 0.00 -1.26 -4.34 121.76 121.33 2wqt s ALA 232 Ca 0.00 1.36 0.21 0.00 0.00 0.00 0.00 51.96 53.53 2wqt s ALA 232 Cb 0.00 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.62 2wqt s ALA 232 CO 0.00 -0.78 1.25 -0.07 0.00 0.00 0.00 175.76 176.16 2wqt h LEU 233 N 5.88 0.00 -8.19 0.00 3.38 -1.42 -3.40 115.31 111.56 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 0.84 0.15 0.05 -0.83 0.09 0.00 0.00 178.44 178.75 2wqt s GLY 234 N -4.39 0.62 0.44 0.83 0.00 -1.26 -2.41 107.32 101.15 2wqt s GLY 234 Ca 0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.59 2wqt s GLY 234 CO 0.75 -0.53 1.41 -4.14 0.00 0.00 0.00 173.10 170.59 2wqt s PRO 235 N -3.19 3.72 0.65 2.90 0.02 -1.26 -4.69 135.00 133.14 2wqt s PRO 235 Ca 0.20 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.46 2wqt s PRO 235 Cb -0.03 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.81 2wqt s PRO 235 CO 0.12 -0.77 1.07 0.00 -0.33 0.00 0.00 177.00 177.09 2wqt s MET 236 N -2.42 3.03 0.09 5.54 0.23 -1.26 -4.81 119.30 119.70 2wqt s MET 236 Ca 0.60 1.19 0.05 0.00 -1.03 0.00 0.00 55.69 56.50 2wqt s MET 236 Cb -0.43 -1.99 -0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2wqt s MET 236 CO 0.55 -1.04 -0.12 0.14 -2.03 0.00 0.00 175.02 172.51 2wqt s VAL 237 N -2.59 1.07 0.31 5.16 -7.23 -0.75 -4.95 120.40 111.42 2wqt s VAL 237 Ca 0.63 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 2wqt s VAL 237 Cb -0.17 -1.25 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 2wqt s VAL 237 CO 0.43 -0.40 1.19 0.00 -0.31 0.00 0.00 175.10 176.02 2wqt s ALA 238 N -1.89 3.43 -0.14 1.32 0.00 -1.26 -1.67 121.76 121.55 2wqt s ALA 238 Ca 0.03 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 2wqt s ALA 238 Cb -0.06 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2wqt s ALA 238 CO 0.02 -0.39 0.29 0.08 0.00 0.00 0.00 175.76 175.76 2wqt s VAL 239 N -1.17 5.30 0.23 0.00 1.01 -0.62 -4.88 120.40 120.27 2wqt s VAL 239 Ca 0.47 0.55 0.10 0.00 0.00 0.00 0.00 61.98 63.10 2wqt s VAL 239 Cb -0.35 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2wqt s VAL 239 CO 0.46 0.43 -0.10 0.20 0.00 0.00 0.00 175.10 176.08 2wqt s ASN 240 N 0.20 4.12 0.15 3.32 0.02 -1.26 -4.73 114.94 116.77 2wqt s ASN 240 Ca 0.17 -0.72 -0.33 0.00 -1.02 0.00 0.00 52.86 50.95 2wqt s ASN 240 Cb -0.13 -0.62 -0.16 0.00 0.02 0.00 0.00 41.25 40.35 2wqt s ASN 240 CO 0.05 0.06 1.11 0.00 0.02 0.00 0.00 177.10 178.34 2wqt n ALA 241 N -0.37 -1.22 0.00 0.60 0.00 -1.26 -1.86 120.51 116.39 2wqt n ALA 241 Ca -0.08 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wqt n ALA 241 Cb 0.58 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.98 2.83 3.77 0.00 0.00 0.50 -4.97 105.19 109.28 2wqt n GLY 242 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2wqt n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wqt n ASP 243 N 0.00 3.62 -4.20 1.61 10.43 -0.78 -4.60 116.55 122.63 2wqt n ASP 243 Ca 0.00 1.21 -0.34 0.00 2.57 0.00 0.00 54.79 58.23 2wqt n ASP 243 Cb 0.00 -1.60 -0.15 0.00 1.84 0.00 0.00 41.12 41.21 2wqt n ASP 243 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wqt s ARG 244 N -2.12 3.07 -0.06 -1.24 3.52 -1.26 -0.75 118.95 120.10 2wqt s ARG 244 Ca 0.54 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 55.32 2wqt s ARG 244 Cb -0.48 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2wqt s ARG 244 CO 0.63 -0.26 0.03 -0.06 -0.81 0.00 0.00 175.30 174.83 2wqt s PHE 245 N 1.36 3.21 -0.06 5.12 0.40 0.96 -0.81 117.98 128.16 2wqt s PHE 245 Ca 0.04 0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.56 2wqt s PHE 245 Cb -0.14 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.65 2wqt s PHE 245 CO -0.08 0.51 0.12 -2.00 0.70 0.00 0.00 175.22 174.47 2wqt s GLU 246 N -1.12 0.06 0.01 0.44 2.12 -0.82 -0.62 118.70 118.77 2wqt s GLU 246 Ca 0.16 0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.91 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 0.00 175.26 174.37 2wqt s ALA 247 N 1.22 2.38 -0.14 6.30 0.00 0.22 -0.78 121.76 130.97 2wqt s ALA 247 Ca -0.08 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.73 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 -0.17 -1.01 0.00 0.00 0.00 175.76 175.07 2wqt s HIS 248 N -0.76 2.73 -0.24 0.00 3.76 0.25 -1.48 115.29 119.55 2wqt s HIS 248 Ca 0.12 -0.98 -0.00 0.00 -0.15 0.00 0.00 55.06 54.05 2wqt s HIS 248 Cb -0.10 -1.83 0.03 0.00 1.11 0.00 0.00 32.58 31.79 2wqt s HIS 248 CO 0.02 -0.41 -0.09 0.42 -0.85 0.00 0.00 174.74 173.82 2wqt s ILE 249 N 0.60 2.61 0.08 0.60 1.01 0.74 -2.06 121.20 124.78 2wqt s ILE 249 Ca -0.10 -1.12 -0.33 0.00 0.00 0.00 0.00 60.65 59.10 2wqt s ILE 249 Cb -0.16 -2.33 -0.12 0.00 0.01 0.00 0.00 42.46 39.86 2wqt s ILE 249 CO 0.03 0.21 1.76 1.21 0.00 0.00 0.00 174.94 178.15 2wqt n GLU 250 N 4.62 2.39 -0.54 2.79 2.13 0.17 -1.26 120.64 130.93 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 0.47 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.47 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 3.99 1.74 0.87 8.31 0.00 -1.26 -4.55 105.19 114.29 2wqt n GLY 251 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 0.64 -0.68 -0.61 5.41 -0.39 -4.85 119.36 116.87 2wqt n ILE 252 Ca 0.00 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2wqt n ILE 252 Cb 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 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 2.89 -0.05 3.18 7.39 0.00 -0.39 -3.93 105.19 114.27 2wqt n GLY 253 Ca -0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 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 0.01 0.02 1.61 1.04 -0.50 -0.18 113.70 111.70 2wqt s SER 254 Ca 0.00 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2wqt s SER 254 Cb 0.00 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2wqt s SER 254 CO 0.00 -0.54 -0.09 -0.69 0.98 0.00 0.00 173.24 172.90 2wqt s VAL 255 N -2.43 0.66 0.03 5.02 1.01 -0.55 -2.79 120.40 121.35 2wqt s VAL 255 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2wqt s VAL 255 Cb -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 2wqt s VAL 255 CO -0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 175.10 174.96 2wqt s ALA 256 N -0.65 0.62 -0.03 5.51 0.00 -1.26 -0.61 121.76 125.34 2wqt s ALA 256 Ca -0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 2wqt s ALA 256 Cb -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2wqt s ALA 256 CO 0.00 0.06 0.18 0.00 0.00 0.00 0.00 175.76 176.01 2wqt s ALA 257 N -0.88 -0.45 -0.02 0.00 0.00 0.20 -0.23 121.76 120.38 2wqt s ALA 257 Ca -0.04 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.21 2wqt s ALA 257 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2wqt s ALA 257 CO 0.00 -0.16 -0.21 0.99 0.00 0.00 0.00 175.76 176.38 2wqt s THR 258 N -0.71 1.64 -0.10 0.00 2.01 -1.03 -0.03 115.64 117.42 2wqt s THR 258 Ca -0.08 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 2wqt s THR 258 Cb -0.05 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2wqt s THR 258 CO 0.01 0.46 0.12 -0.36 -0.69 0.00 0.00 174.62 174.17 2wqt s PHE 259 N -0.40 3.52 0.00 4.92 0.08 0.07 -0.55 117.98 125.62 2wqt s PHE 259 Ca 0.06 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.56 2wqt s PHE 259 Cb -0.09 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2wqt s PHE 259 CO -0.00 0.69 0.00 -1.13 -0.10 0.00 0.00 175.22 174.67 2wqt n SER 260 N 1.88 -0.14 -0.32 1.36 3.41 -0.64 -2.25 113.62 116.92 2wqt n SER 260 Ca -0.19 -0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.38 2wqt n SER 260 Cb 0.54 0.00 0.03 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