#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 -3.31 114.93 115.81 2wqt h MET 1 Ca 0.00 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2wqt h MET 1 Cb 0.00 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2wqt h MET 1 CO 0.00 0.94 -0.01 0.25 1.06 0.00 0.00 176.91 179.15 2wqt n THR 2 N -4.48 0.00 -0.33 2.22 -2.24 -1.26 -4.36 114.28 103.83 2wqt n THR 2 Ca -0.10 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2wqt n THR 2 Cb 0.52 0.48 0.12 0.00 -2.10 0.00 0.00 70.33 69.36 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 2.26 1.24 -0.56 -0.78 3.64 -2.00 0.08 116.57 120.45 2wqt h LYS 3 Ca 0.00 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 2wqt h LYS 3 Cb 0.49 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2wqt h LYS 3 CO 0.00 0.86 0.07 1.25 -2.27 0.00 0.00 179.45 179.36 2wqt h HIS 4 N 1.26 1.01 -0.86 1.91 2.76 -1.81 -1.69 115.15 117.73 2wqt h HIS 4 Ca 0.33 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2wqt h HIS 4 Cb -0.06 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.58 2wqt h HIS 4 CO 0.00 0.89 0.47 1.15 -1.30 0.00 0.00 177.93 179.15 2wqt h THR 5 N 0.83 1.25 -0.35 6.26 2.02 -1.65 -2.07 112.91 119.21 2wqt h THR 5 Ca 0.17 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2wqt h THR 5 Cb 0.44 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2wqt h THR 5 CO 0.01 0.28 0.22 -0.07 0.37 0.00 0.00 175.52 176.34 2wqt h LEU 6 N 1.20 0.41 -0.91 2.58 4.07 -0.65 -0.72 115.31 121.29 2wqt h LEU 6 Ca 0.30 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.29 2wqt h LEU 6 Cb 0.03 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.61 2wqt h LEU 6 CO -0.05 0.32 0.58 -0.33 -1.08 0.00 0.00 178.44 177.88 2wqt h GLU 7 N 0.47 1.03 -0.04 1.13 4.39 -1.07 0.00 114.58 120.49 2wqt h GLU 7 Ca 0.13 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2wqt h GLU 7 Cb -0.03 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2wqt h GLU 7 CO -0.03 0.68 0.02 1.96 -1.16 0.00 0.00 179.01 180.48 2wqt h GLN 8 N 1.06 0.06 -0.59 2.33 4.20 -0.83 -1.58 115.11 119.76 2wqt h GLN 8 Ca 0.39 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 2wqt h GLN 8 Cb 0.14 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2wqt h GLN 8 CO -0.16 0.20 0.23 -0.07 -0.67 0.00 0.00 178.83 178.35 2wqt h LEU 9 N -0.09 0.81 -0.60 1.46 3.38 -0.88 -0.78 115.31 118.61 2wqt h LEU 9 Ca 0.01 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wqt h LEU 9 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2wqt h LEU 9 CO -0.00 0.77 0.30 0.00 0.09 0.00 0.00 178.44 179.59 2wqt h ALA 10 N 1.08 0.79 -0.70 1.53 0.00 -0.91 -0.94 119.26 120.12 2wqt h ALA 10 Ca 0.20 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2wqt h ALA 10 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2wqt h ALA 10 CO -0.02 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.39 2wqt h ALA 11 N 1.35 1.08 -0.67 0.00 0.00 -0.91 -1.42 119.26 118.68 2wqt h ALA 11 Ca 0.28 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 11 Cb 0.23 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2wqt h ALA 11 CO -0.21 0.63 0.44 -0.44 0.00 0.00 0.00 179.25 179.67 2wqt h ASP 12 N 1.03 0.75 -0.39 0.00 3.32 -0.27 -1.09 116.42 119.79 2wqt h ASP 12 Ca 0.23 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 2wqt h ASP 12 Cb 0.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2wqt h ASP 12 CO -0.01 0.54 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.98 2wqt h LEU 13 N 0.89 0.74 -0.31 1.55 4.07 -0.86 -0.43 115.31 120.96 2wqt h LEU 13 Ca 0.25 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 2wqt h LEU 13 Cb -0.08 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 2wqt h LEU 13 CO -0.07 0.81 -0.09 0.03 -1.08 0.00 0.00 178.44 178.04 2wqt h ARG 14 N 0.72 0.61 -0.66 1.13 3.08 -0.81 -2.63 114.38 115.83 2wqt h ARG 14 Ca 0.14 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2wqt h ARG 14 Cb 0.44 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2wqt h ARG 14 CO 0.02 0.81 0.10 -0.09 -1.07 0.00 0.00 179.97 179.74 2wqt h ARG 15 N 0.38 1.09 -0.44 0.04 2.43 -1.09 -1.43 114.38 115.37 2wqt h ARG 15 Ca 0.08 -0.30 0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2wqt h ARG 15 Cb 0.59 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 2wqt h ARG 15 CO 0.03 1.01 -0.05 0.00 -1.51 0.00 0.00 179.97 179.45 2wqt h ALA 16 N 1.04 0.35 -0.20 2.80 0.00 -0.99 -0.79 119.26 121.47 2wqt h ALA 16 Ca 0.20 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2wqt h ALA 16 Cb 0.45 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wqt h ALA 16 CO 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 179.25 178.88 2wqt h ALA 17 N 1.42 0.27 -0.75 0.00 0.00 -1.15 -0.86 119.26 118.19 2wqt h ALA 17 Ca 0.22 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2wqt h ALA 17 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2wqt h ALA 17 CO -0.41 -0.07 0.49 0.93 0.00 0.00 0.00 179.25 180.19 2wqt h GLU 18 N 0.14 0.70 0.00 0.00 5.08 -0.95 -2.98 114.58 116.57 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 0.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wqt h GLU 18 CO 0.00 0.47 -1.25 1.04 -1.00 0.00 0.00 179.01 178.27 2wqt n GLN 19 N -4.49 0.29 -2.66 2.33 6.02 -0.33 -4.96 117.38 113.57 2wqt n GLN 19 Ca 0.12 -0.05 -0.19 0.00 -0.01 0.00 0.00 57.00 56.87 2wqt n GLN 19 Cb 0.28 -1.55 0.01 0.00 1.02 0.00 0.00 30.24 30.01 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 1.38 -0.36 2.99 1.08 0.00 -0.37 -5.01 105.19 104.91 2wqt n GLY 20 Ca 0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.25 2.06 0.46 1.61 2.02 -0.96 -5.06 118.70 113.58 2wqt s GLU 21 Ca 0.15 -0.60 -0.22 0.00 0.02 0.00 0.00 54.97 54.31 2wqt s GLU 21 Cb -0.06 -2.13 -0.08 0.00 0.10 0.00 0.00 34.13 31.96 2wqt s GLU 21 CO 0.18 -0.31 1.10 0.00 0.02 0.00 0.00 175.26 176.25 2wqt s ALA 22 N 1.50 2.95 0.41 5.21 0.00 -1.26 -4.43 121.76 126.14 2wqt s ALA 22 Ca 0.03 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.85 2wqt s ALA 22 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2wqt s ALA 22 CO -0.09 -0.47 0.33 0.96 0.00 0.00 0.00 175.76 176.48 2wqt s ILE 23 N -1.69 2.61 0.56 0.00 -4.36 -0.18 -4.64 121.20 113.51 2wqt s ILE 23 Ca 0.64 -1.43 -0.19 0.00 -0.26 0.00 0.00 60.65 59.41 2wqt s ILE 23 Cb -0.24 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 40.42 2wqt s ILE 23 CO 0.29 -0.01 1.12 0.00 0.24 0.00 0.00 174.94 176.58 2wqt s ALA 24 N -2.50 2.67 0.43 2.27 0.00 -1.26 -0.35 121.76 123.02 2wqt s ALA 24 Ca 0.46 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 2wqt s ALA 24 Cb -0.02 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2wqt s ALA 24 CO 0.27 -0.84 1.07 -2.30 0.00 0.00 0.00 175.76 173.96 2wqt n PRO 25 N -1.50 1.46 0.02 0.00 -0.02 -1.26 -4.87 135.00 128.83 2wqt n PRO 25 Ca 0.11 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 2wqt n PRO 25 Cb 0.51 -2.12 0.30 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.39 0.48 -0.21 2.45 4.32 -1.26 -4.57 117.00 118.60 2wqt n LEU 26 Ca 0.09 0.18 0.01 0.00 -0.02 0.00 0.00 56.01 56.27 2wqt n LEU 26 Cb 0.39 -0.28 0.12 0.00 -1.62 0.00 0.00 43.42 42.04 2wqt n LEU 26 CO 0.57 0.04 0.96 0.08 -1.22 0.00 0.00 177.39 177.82 2wqt h ARG 27 N 0.00 0.34 0.00 3.23 0.11 -1.93 -1.17 114.38 114.97 2wqt h ARG 27 Ca 0.00 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.97 2wqt h ARG 27 Cb 0.58 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 2wqt h ARG 27 CO 0.00 0.23 -0.44 -0.44 0.10 0.00 0.00 179.97 179.42 2wqt h ASP 28 N 0.35 0.00 1.12 0.08 3.32 -1.92 0.28 116.42 119.66 2wqt h ASP 28 Ca 0.33 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 2wqt h ASP 28 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2wqt h ASP 28 CO -0.36 0.44 -0.63 -0.07 -1.72 0.00 0.00 179.24 176.89 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.53 -3.34 115.31 116.06 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 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2wqt h LEU 29 CO 0.06 0.63 -1.22 2.30 -1.08 0.00 0.00 178.44 179.14 2wqt n ILE 30 N -3.39 0.00 0.00 1.22 -5.35 -1.02 -5.10 119.36 105.72 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 0.73 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 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 1.64 1.59 0.45 3.28 0.00 0.98 -4.54 105.19 108.58 2wqt n GLY 31 Ca -0.01 -1.29 0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 0.51 -1.12 -0.61 2.10 -1.90 -0.71 117.51 115.77 2wqt h ILE 32 Ca 0.00 -0.08 -0.57 0.00 1.08 0.00 0.00 64.86 65.29 2wqt h ILE 32 Cb 0.00 0.24 -0.42 0.00 -1.09 0.00 0.00 36.82 35.55 2wqt h ILE 32 CO 0.00 0.04 -0.78 -0.90 -1.08 0.00 0.00 178.15 175.43 2wqt n ASP 33 N -4.46 4.78 -4.28 2.19 5.75 -1.26 -4.50 116.55 114.77 2wqt n ASP 33 Ca 0.24 -3.72 -0.44 0.00 -0.01 0.00 0.00 54.79 50.86 2wqt n ASP 33 Cb 0.97 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 5.51 -0.16 -1.12 2.85 -0.28 -4.84 115.26 116.62 2wqt n ASN 34 Ca 0.41 -3.08 -0.08 0.00 -0.11 0.00 0.00 54.58 51.72 2wqt n ASN 34 Cb 0.82 -1.44 0.01 0.00 1.24 0.00 0.00 39.78 40.41 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 6.53 0.60 -0.80 5.20 0.00 -1.89 -2.76 119.26 126.13 2wqt h ALA 35 Ca 0.26 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2wqt h ALA 35 Cb 0.81 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2wqt h ALA 35 CO 1.21 0.08 0.39 1.49 0.00 0.00 0.00 179.25 182.42 2wqt h GLU 36 N 0.63 0.56 -0.22 0.00 4.81 -2.00 -1.54 114.58 116.81 2wqt h GLU 36 Ca 0.17 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2wqt h GLU 36 Cb -0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2wqt h GLU 36 CO -0.03 0.37 -0.21 0.00 -0.73 0.00 0.00 179.01 178.41 2wqt h ALA 37 N 1.53 0.33 -0.47 2.92 0.00 -1.91 -1.74 119.26 119.91 2wqt h ALA 37 Ca 0.43 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2wqt h ALA 37 Cb 0.58 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2wqt h ALA 37 CO -0.35 0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.35 2wqt h ALA 38 N 0.67 0.58 -0.31 0.00 0.00 -1.15 -0.68 119.26 118.36 2wqt h ALA 38 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wqt h ALA 38 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2wqt h ALA 38 CO 0.05 -0.21 -0.05 1.88 0.00 0.00 0.00 179.25 180.93 2wqt h TYR 39 N 0.36 0.53 -0.66 0.00 -1.99 -1.26 -2.13 116.97 111.83 2wqt h TYR 39 Ca 0.22 -0.06 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 2wqt h TYR 39 Cb 0.21 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 2wqt h TYR 39 CO -0.15 0.55 0.08 0.00 -0.00 0.00 0.00 178.16 178.65 2wqt h ALA 40 N 1.48 0.90 -0.31 3.88 0.00 -0.36 -0.06 119.26 124.77 2wqt h ALA 40 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wqt h ALA 40 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wqt h ALA 40 CO 0.02 0.67 0.16 0.82 0.00 0.00 0.00 179.25 180.92 2wqt h ILE 41 N 1.03 1.14 -0.62 0.00 2.04 -0.85 0.62 117.51 120.87 2wqt h ILE 41 Ca 0.20 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2wqt h ILE 41 Cb 0.47 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2wqt h ILE 41 CO 0.02 0.14 0.34 -0.61 0.00 0.00 0.00 178.15 178.05 2wqt h GLN 42 N 0.38 0.63 -0.37 2.37 4.15 -1.19 -2.58 115.11 118.50 2wqt h GLN 42 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2wqt h GLN 42 Cb 0.08 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2wqt h GLN 42 CO -0.02 0.42 0.19 1.25 -1.93 0.00 0.00 178.83 178.75 2wqt h HIS 43 N 0.65 0.51 -0.51 3.99 2.76 -0.68 -0.59 115.15 121.28 2wqt h HIS 43 Ca 0.27 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.53 2wqt h HIS 43 Cb 0.14 -0.16 -0.09 0.00 1.55 0.00 0.00 27.41 28.84 2wqt h HIS 43 CO -0.08 0.41 -0.10 0.82 -1.30 0.00 0.00 177.93 177.68 2wqt h ILE 44 N 0.46 0.52 -0.06 6.26 1.08 -0.63 0.61 117.51 125.75 2wqt h ILE 44 Ca 0.13 -0.01 -0.15 0.00 -0.39 0.00 0.00 64.86 64.44 2wqt h ILE 44 Cb 0.07 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 2wqt h ILE 44 CO -0.02 0.00 -0.62 0.78 -0.69 0.00 0.00 178.15 177.60 2wqt h ASN 45 N 0.03 0.26 -0.26 1.72 2.35 -1.11 -0.26 115.58 118.30 2wqt h ASN 45 Ca 0.25 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2wqt h ASN 45 Cb 0.38 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2wqt h ASN 45 CO -0.50 0.81 -0.06 0.58 -1.65 0.00 0.00 177.43 176.61 2wqt h VAL 46 N 0.16 1.28 -0.82 2.81 2.07 -0.73 -2.41 116.25 118.61 2wqt h VAL 46 Ca -0.01 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 2wqt h VAL 46 Cb 1.13 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 2wqt h VAL 46 CO 0.10 0.34 0.50 -0.61 0.02 0.00 0.00 177.57 177.91 2wqt h GLN 47 N 0.26 1.11 -0.34 1.57 5.75 -0.64 -0.33 115.11 122.47 2wqt h GLN 47 Ca 0.07 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2wqt h GLN 47 Cb 0.53 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 2wqt h GLN 47 CO 0.03 0.78 0.19 1.25 -2.65 0.00 0.00 178.83 178.42 2wqt h HIS 48 N 1.12 0.47 -0.38 3.99 2.76 -1.03 -2.26 115.15 119.82 2wqt h HIS 48 Ca 0.29 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2wqt h HIS 48 Cb -0.05 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 2wqt h HIS 48 CO -0.01 0.37 -0.23 -0.44 -1.30 0.00 0.00 177.93 176.33 2wqt h ASP 49 N 0.44 0.78 -0.76 3.26 5.19 -0.94 -2.86 116.42 121.52 2wqt h ASP 49 Ca 0.12 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 2wqt h ASP 49 Cb 0.05 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 39.31 2wqt h ASP 49 CO -0.02 0.98 0.36 0.58 -3.12 0.00 0.00 179.24 178.02 2wqt h VAL 50 N 0.67 1.24 0.00 -1.35 2.07 -0.95 -1.45 116.25 116.47 2wqt h VAL 50 Ca 0.09 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2wqt h VAL 50 Cb 0.74 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2wqt h VAL 50 CO 0.06 0.30 -0.03 0.00 0.02 0.00 0.00 177.57 177.91 2wqt h ALA 51 N 1.29 1.20 -0.54 1.67 0.00 -1.18 0.73 119.26 122.44 2wqt h ALA 51 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wqt h ALA 51 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wqt h ALA 51 CO -0.03 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2wqt n GLN 52 N -3.41 2.99 -0.59 0.00 6.02 -0.61 -4.93 117.38 116.84 2wqt n GLN 52 Ca -0.02 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 2wqt n GLN 52 Cb 0.14 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 1.09 0.72 3.74 1.08 0.00 0.25 -5.04 105.19 107.04 2wqt n GLY 53 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.41 4.46 -0.28 1.61 3.52 -0.81 -4.99 118.95 122.04 2wqt s ARG 54 Ca 0.00 1.96 -0.10 0.00 -0.13 0.00 0.00 55.73 57.46 2wqt s ARG 54 Cb 0.00 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2wqt s ARG 54 CO 0.00 -0.12 0.15 0.50 -0.81 0.00 0.00 175.30 175.02 2wqt s ARG 55 N -0.43 3.74 0.09 5.12 3.52 -1.26 -4.27 118.95 125.47 2wqt s ARG 55 Ca 0.53 -0.45 -0.31 0.00 -0.13 0.00 0.00 55.73 55.37 2wqt s ARG 55 Cb -0.34 -3.56 -0.07 0.00 -1.56 0.00 0.00 34.95 29.42 2wqt s ARG 55 CO 0.39 -0.24 1.31 0.08 -0.81 0.00 0.00 175.30 176.03 2wqt s VAL 56 N 1.69 3.60 -0.14 7.11 1.01 -1.26 -1.18 120.40 131.23 2wqt s VAL 56 Ca 0.06 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.23 2wqt s VAL 56 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2wqt s VAL 56 CO 0.08 0.09 0.14 1.33 0.00 0.00 0.00 175.10 176.74 2wqt n VAL 57 N 3.92 0.00 -3.30 2.92 0.24 -0.03 -4.86 118.33 117.22 2wqt n VAL 57 Ca 0.10 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2wqt n VAL 57 Cb 0.44 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 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 1.32 -0.52 3.24 7.63 0.00 -1.21 -1.10 105.19 114.55 2wqt n GLY 58 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 1.07 -0.05 1.61 1.81 -0.83 -1.33 118.95 119.80 2wqt s ARG 59 Ca 0.00 -1.49 0.06 0.00 -1.72 0.00 0.00 55.73 52.58 2wqt s ARG 59 Cb 0.00 -0.44 -0.02 0.00 -0.45 0.00 0.00 34.95 34.04 2wqt s ARG 59 CO 0.00 -0.03 -0.21 0.21 -0.68 0.00 0.00 175.30 174.59 2wqt s LYS 60 N -3.83 2.43 -0.19 3.54 2.36 0.01 -1.60 119.74 122.47 2wqt s LYS 60 Ca 0.20 -0.83 -0.09 0.00 -2.55 0.00 0.00 55.97 52.70 2wqt s LYS 60 Cb 0.05 -2.22 -0.05 0.00 -1.05 0.00 0.00 37.83 34.56 2wqt s LYS 60 CO 0.02 0.51 0.11 0.08 1.55 0.00 0.00 175.35 177.62 2wqt s VAL 61 N -0.48 5.20 0.40 4.02 1.01 0.66 -1.40 120.40 129.80 2wqt s VAL 61 Ca 0.06 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2wqt s VAL 61 Cb -0.11 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 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 0.25 2.45 -1.18 4.51 0.00 -0.30 -3.35 107.32 109.70 2wqt s GLY 62 Ca 0.07 -1.75 -0.14 0.00 0.00 0.00 0.00 44.72 42.89 2wqt s GLY 62 CO -0.01 -1.98 0.75 1.04 0.00 0.00 0.00 173.10 172.91 2wqt n LEU 63 N -0.91 -3.09 -0.06 0.66 4.77 -1.26 -1.43 117.00 115.69 2wqt n LEU 63 Ca -0.06 -0.96 0.11 0.00 -0.03 0.00 0.00 56.01 55.06 2wqt n LEU 63 Cb 0.67 -2.49 -0.00 0.00 -2.33 0.00 0.00 43.42 39.26 2wqt n LEU 63 CO 0.43 0.42 0.13 0.35 -1.33 0.00 0.00 177.39 177.39 2wqt n THR 64 N -4.12 0.00 -3.13 -5.08 -2.24 -1.26 -4.19 114.28 94.26 2wqt n THR 64 Ca -0.14 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 2wqt n THR 64 Cb 0.62 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 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 -2.93 3.32 0.63 4.78 3.76 -1.26 -1.91 115.29 121.68 2wqt s HIS 65 Ca 0.10 0.85 0.39 0.00 -0.15 0.00 0.00 55.06 56.25 2wqt s HIS 65 Cb 0.17 -2.81 2.19 0.00 1.11 0.00 0.00 32.58 33.24 2wqt s HIS 65 CO 0.79 -0.25 2.33 -1.35 -0.85 0.00 0.00 174.74 175.40 2wqt h PRO 66 N 7.72 0.00 0.84 8.40 0.11 -1.89 -1.59 132.00 145.59 2wqt h PRO 66 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 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 -0.40 0.87 -0.21 0.00 0.00 178.00 179.03 2wqt h LYS 67 N 0.00 -1.08 -0.68 1.05 1.57 -1.98 -2.51 116.57 112.94 2wqt h LYS 67 Ca -0.00 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 2wqt h LYS 67 Cb 0.01 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2wqt h LYS 67 CO 0.00 -0.72 0.45 0.28 -0.57 0.00 0.00 179.45 178.89 2wqt h VAL 68 N -1.12 0.87 -0.16 0.50 2.07 -1.78 -1.57 116.25 115.06 2wqt h VAL 68 Ca -0.11 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2wqt h VAL 68 Cb 0.86 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2wqt h VAL 68 CO 0.19 0.08 0.08 1.56 0.02 0.00 0.00 177.57 179.50 2wqt h GLN 69 N 0.45 0.22 -0.01 1.57 4.20 -1.32 -2.97 115.11 117.27 2wqt h GLN 69 Ca 0.32 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2wqt h GLN 69 Cb 0.63 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2wqt h GLN 69 CO -0.10 0.26 0.00 1.96 -0.67 0.00 0.00 178.83 180.28 2wqt h GLN 70 N 0.13 0.01 0.00 1.46 1.08 -0.95 -0.59 115.11 116.25 2wqt h GLN 70 Ca 0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2wqt h GLN 70 Cb 0.11 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2wqt h GLN 70 CO -0.01 0.26 0.03 0.94 -0.95 0.00 0.00 178.83 179.10 2wqt n GLN 71 N -4.96 0.00 0.00 1.46 7.27 -0.64 -1.33 117.38 119.18 2wqt n GLN 71 Ca -0.08 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2wqt n GLN 71 Cb 0.15 -1.53 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 -1.08 0.69 0.00 1.69 4.32 -1.04 -5.04 117.00 116.53 2wqt n LEU 72 Ca 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 2wqt n LEU 72 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 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 -0.12 0.72 3.34 -0.72 0.00 -0.44 -4.22 105.19 103.74 2wqt n GLY 73 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 0.85 0.00 1.61 -7.23 -0.27 -5.01 120.40 108.34 2wqt s VAL 74 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 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 -0.16 0.93 -0.90 -0.31 0.00 0.00 175.10 174.66 2wqt n ASP 75 N -0.47 1.77 -4.67 4.85 5.68 -1.26 -3.64 116.55 118.80 2wqt n ASP 75 Ca -0.03 -1.87 -0.29 0.00 -0.50 0.00 0.00 54.79 52.10 2wqt n ASP 75 Cb 0.65 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.55 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 -0.87 2.48 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.47 2wqt s GLN 76 Ca 0.00 -0.91 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 2wqt s GLN 76 Cb 0.00 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 2wqt s GLN 76 CO 0.00 0.52 0.00 -0.35 -0.25 0.00 0.00 175.29 175.21 2wqt n PRO 77 N 0.43 2.36 -3.84 2.91 -0.04 -1.26 -4.95 135.00 130.61 2wqt n PRO 77 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2wqt n PRO 77 Cb 0.53 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 -0.05 0.05 3.54 3.68 -0.51 -4.97 116.67 117.41 2wqt s ASP 78 Ca 0.00 -0.03 0.03 0.00 2.13 0.00 0.00 52.55 54.68 2wqt s ASP 78 Cb 0.00 0.26 -0.03 0.00 -1.45 0.00 0.00 42.92 41.71 2wqt s ASP 78 CO 0.00 -0.31 -0.10 0.72 0.13 0.00 0.00 175.17 175.61 2wqt s PHE 79 N -1.05 0.82 0.23 -5.34 -0.71 -1.26 -1.15 117.98 109.53 2wqt s PHE 79 Ca -0.11 -0.48 0.02 0.00 -1.04 0.00 0.00 56.93 55.32 2wqt s PHE 79 Cb -0.06 -0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 41.22 2wqt s PHE 79 CO 0.02 -0.04 0.05 0.20 -1.34 0.00 0.00 175.22 174.10 2wqt s GLY 80 N -1.59 1.59 -0.13 1.99 0.00 -0.49 -4.37 107.32 104.32 2wqt s GLY 80 Ca -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 2wqt s GLY 80 CO 0.01 -1.60 0.01 -1.59 0.00 0.00 0.00 173.10 169.93 2wqt s THR 81 N -3.64 4.37 -0.13 0.90 2.01 -1.26 -0.81 115.64 117.07 2wqt s THR 81 Ca 0.32 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 2wqt s THR 81 Cb 0.07 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2wqt s THR 81 CO 0.10 0.54 0.05 -0.76 -0.69 0.00 0.00 174.62 173.86 2wqt s LEU 82 N -0.23 3.82 0.07 4.42 1.43 -0.44 -4.91 118.68 122.85 2wqt s LEU 82 Ca 0.06 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2wqt s LEU 82 Cb -0.12 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2wqt s LEU 82 CO 0.02 0.30 -0.08 -0.36 0.23 0.00 0.00 176.35 176.46 2wqt s PHE 83 N -0.36 2.81 0.30 0.29 0.08 -1.26 -0.85 117.98 118.99 2wqt s PHE 83 Ca 0.09 -0.11 0.06 0.00 0.12 0.00 0.00 56.93 57.09 2wqt s PHE 83 Cb -0.12 -1.50 0.78 0.00 -0.57 0.00 0.00 43.02 41.61 2wqt s PHE 83 CO 0.02 0.41 1.72 0.00 -0.10 0.00 0.00 175.22 177.27 2wqt h ALA 84 N 3.85 1.58 0.00 5.36 0.00 -1.48 0.16 119.26 128.73 2wqt h ALA 84 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wqt h ALA 84 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wqt h ALA 84 CO 0.54 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 2wqt n ASP 85 N -4.96 0.00 0.00 0.00 5.75 -1.26 -1.90 116.55 114.19 2wqt n ASP 85 Ca 0.24 0.41 0.14 0.00 -0.01 0.00 0.00 54.79 55.56 2wqt n ASP 85 Cb 0.67 -0.45 0.57 0.00 -1.03 0.00 0.00 41.12 40.88 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 -1.45 0.01 -3.22 0.11 2.81 0.56 -4.84 117.12 111.10 2wqt n MET 86 Ca 0.04 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.53 2wqt n MET 86 Cb 0.15 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.07 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 2.40 3.29 0.68 0.00 2.02 0.50 -4.99 117.35 121.25 2wqt s TYR 88 Ca 0.21 0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 57.01 2wqt s TYR 88 Cb -0.15 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2wqt s TYR 88 CO 0.12 0.55 1.08 0.20 -1.57 0.00 0.00 175.55 175.93 2wqt s GLY 89 N -1.62 1.64 0.22 0.71 0.00 -1.26 -2.01 107.32 105.00 2wqt s GLY 89 Ca 0.21 -0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.35 2wqt s GLY 89 CO 0.12 0.08 1.39 1.34 0.00 0.00 0.00 173.10 176.03 2wqt n ASP 90 N -2.95 2.57 -2.48 1.64 4.64 -0.51 -2.78 116.55 116.68 2wqt n ASP 90 Ca 0.07 1.14 -0.18 0.00 -1.38 0.00 0.00 54.79 54.43 2wqt n ASP 90 Cb 0.56 -1.39 0.03 0.00 -1.04 0.00 0.00 41.12 39.28 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 2.27 -5.25 -4.89 1.67 4.05 0.15 -4.96 115.26 108.30 2wqt n ASN 91 Ca 0.13 -0.24 -0.21 0.00 0.45 0.00 0.00 54.58 54.71 2wqt n ASN 91 Cb 0.30 -4.08 0.07 0.00 1.23 0.00 0.00 39.78 37.30 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 -5.49 2.15 -0.22 1.20 2.12 -1.12 -4.89 118.70 112.46 2wqt s GLU 92 Ca 0.25 -1.29 -0.07 0.00 0.36 0.00 0.00 54.97 54.22 2wqt s GLU 92 Cb -0.11 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 2wqt s GLU 92 CO 0.31 -1.00 0.06 0.42 -0.54 0.00 0.00 175.26 174.51 2wqt s ILE 93 N -2.82 4.45 -0.21 -3.70 1.01 -1.26 -2.32 121.20 116.35 2wqt s ILE 93 Ca 0.62 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 2wqt s ILE 93 Cb -0.07 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 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 1.12 5.23 0.13 2.92 1.01 0.13 -4.93 121.20 126.81 2wqt s ILE 94 Ca 0.04 0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.51 2wqt s ILE 94 Cb -0.14 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 2wqt s ILE 94 CO 0.03 0.42 1.76 -2.84 0.00 0.00 0.00 174.94 174.31 2wqt s PRO 95 N 0.59 4.15 0.45 2.79 0.02 -1.26 -1.09 135.00 140.64 2wqt s PRO 95 Ca 0.07 2.54 0.13 0.00 0.02 0.00 0.00 61.00 63.75 2wqt s PRO 95 Cb -0.12 -3.47 1.04 0.00 0.02 0.00 0.00 34.50 31.97 2wqt s PRO 95 CO 0.00 -0.79 2.03 0.35 -0.33 0.00 0.00 177.00 178.26 2wqt h PHE 96 N 8.11 0.37 0.00 6.54 3.57 -1.90 -1.67 116.94 131.96 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 0.37 -0.19 0.41 3.41 -1.26 -3.86 113.62 108.02 2wqt n SER 97 Ca 0.06 0.56 -0.06 0.00 -0.26 0.00 0.00 58.87 59.17 2wqt n SER 97 Cb 0.27 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.71 -5.20 4.33 9.65 -1.68 -3.42 114.38 118.77 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 0.49 -0.16 -0.27 0.00 -1.39 0.00 0.00 29.97 28.63 2wqt h ARG 98 CO 0.00 0.47 -0.75 0.08 2.80 0.00 0.00 179.97 182.57 2wqt s VAL 99 N -6.14 3.18 -0.13 0.20 1.01 -1.25 -5.05 120.40 112.21 2wqt s VAL 99 Ca -0.13 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2wqt s VAL 99 Cb 0.13 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2wqt s VAL 99 CO 0.75 0.49 1.05 -0.22 0.00 0.00 0.00 175.10 177.17 2wqt s LEU 100 N 0.75 4.21 -1.06 3.92 2.96 -1.26 -3.93 118.68 124.28 2wqt s LEU 100 Ca -0.04 1.54 -0.13 0.00 -0.22 0.00 0.00 54.13 55.28 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 0.02 -0.53 0.83 0.00 -1.32 0.00 0.00 176.35 175.34 2wqt n GLN 101 N 5.41 -1.61 -2.66 1.98 6.02 -1.26 -1.21 117.38 124.05 2wqt n GLN 101 Ca 0.10 0.71 -0.37 0.00 -0.01 0.00 0.00 57.00 57.43 2wqt n GLN 101 Cb 0.48 -4.82 -0.05 0.00 1.02 0.00 0.00 30.24 26.86 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 -5.08 4.45 0.02 -1.09 0.04 -1.25 -4.05 135.00 128.02 2wqt s PRO 102 Ca 0.41 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2wqt s PRO 102 Cb -0.11 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 2wqt s PRO 102 CO 0.81 0.13 -0.05 1.03 0.04 0.00 0.00 177.00 178.95 2wqt s ARG 103 N -2.12 0.40 0.08 4.56 3.00 -0.27 -1.47 118.95 123.13 2wqt s ARG 103 Ca 0.52 -0.46 0.06 0.00 0.00 0.00 0.00 55.73 55.85 2wqt s ARG 103 Cb -0.22 -0.25 -0.04 0.00 0.00 0.00 0.00 34.95 34.45 2wqt s ARG 103 CO 0.27 0.05 -0.07 0.96 0.00 0.00 0.00 175.30 176.52 2wqt s ILE 104 N -0.80 3.59 0.03 1.52 -5.25 -0.64 0.44 121.20 120.08 2wqt s ILE 104 Ca -0.06 -1.10 0.00 0.00 -0.99 0.00 0.00 60.65 58.50 2wqt s ILE 104 Cb -0.06 -2.67 -0.02 0.00 2.95 0.00 0.00 42.46 42.66 2wqt s ILE 104 CO -0.00 0.16 -0.04 -1.83 -1.79 0.00 0.00 174.94 171.45 2wqt s GLU 105 N -2.09 0.40 0.09 0.37 -1.05 -0.48 -1.71 118.70 114.24 2wqt s GLU 105 Ca 0.22 -0.76 -0.19 0.00 -0.15 0.00 0.00 54.97 54.09 2wqt s GLU 105 Cb -0.11 0.08 -0.07 0.00 -0.44 0.00 0.00 34.13 33.59 2wqt s GLU 105 CO 0.14 -0.05 0.58 0.00 0.95 0.00 0.00 175.26 176.88 2wqt s ALA 106 N -1.99 3.58 0.10 -0.84 0.00 -1.26 -0.53 121.76 120.82 2wqt s ALA 106 Ca -0.10 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 2wqt s ALA 106 Cb -0.06 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 2wqt s ALA 106 CO -0.03 0.40 0.12 -1.21 0.00 0.00 0.00 175.76 175.05 2wqt s GLU 107 N -1.27 0.85 -0.22 0.00 2.02 0.36 -0.86 118.70 119.58 2wqt s GLU 107 Ca 0.31 -1.16 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 2wqt s GLU 107 Cb -0.19 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 2wqt s GLU 107 CO 0.19 -0.25 0.13 0.42 0.02 0.00 0.00 175.26 175.78 2wqt s ILE 108 N -3.93 5.27 -0.09 -1.63 1.01 -1.26 -0.89 121.20 119.68 2wqt s ILE 108 Ca 0.11 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.87 2wqt s ILE 108 Cb 0.06 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2wqt s ILE 108 CO -0.06 0.39 0.08 0.00 0.00 0.00 0.00 174.94 175.34 2wqt s ALA 109 N 0.75 3.60 0.01 9.38 0.00 0.83 -1.86 121.76 134.46 2wqt s ALA 109 Ca 0.07 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2wqt s ALA 109 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2wqt s ALA 109 CO 0.02 0.61 -0.23 -0.51 0.00 0.00 0.00 175.76 175.65 2wqt s LEU 110 N -1.04 2.27 -0.04 0.00 1.43 -0.05 -0.87 118.68 120.37 2wqt s LEU 110 Ca 0.15 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2wqt s LEU 110 Cb -0.12 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 2wqt s LEU 110 CO 0.04 0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 2wqt s VAL 111 N -0.75 2.72 -0.09 -1.59 1.01 -0.29 -0.42 120.40 121.00 2wqt s VAL 111 Ca 0.12 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 2wqt s VAL 111 Cb -0.10 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2wqt s VAL 111 CO 0.01 0.59 0.13 -0.76 0.00 0.00 0.00 175.10 175.08 2wqt s LEU 112 N -0.69 4.31 0.32 3.92 1.43 -0.97 0.39 118.68 127.39 2wqt s LEU 112 Ca 0.11 0.41 0.16 0.00 -1.03 0.00 0.00 54.13 53.78 2wqt s LEU 112 Cb -0.10 -2.16 0.48 0.00 0.03 0.00 0.00 46.19 44.44 2wqt s LEU 112 CO 0.00 0.38 1.64 0.78 0.23 0.00 0.00 176.35 179.38 2wqt h ASN 113 N 4.75 0.00 -5.16 2.29 2.35 -0.96 -0.56 115.58 118.29 2wqt h ASN 113 Ca -0.53 0.00 -0.04 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 39.49 2wqt h ASN 113 CO 0.60 0.48 -0.08 0.00 -1.65 0.00 0.00 177.43 176.78 2wqt s ARG 114 N -3.47 1.38 0.60 0.81 3.03 -1.26 -4.66 118.95 115.39 2wqt s ARG 114 Ca 0.00 -1.03 -0.18 0.00 2.03 0.00 0.00 55.73 56.56 2wqt s ARG 114 Cb 0.11 0.48 -0.03 0.00 -1.03 0.00 0.00 34.95 34.48 2wqt s ARG 114 CO 0.72 -0.57 1.18 -0.51 -1.13 0.00 0.00 175.30 174.99 2wqt s ASP 115 N -2.93 5.19 -0.61 -2.89 1.01 -1.26 -3.51 116.67 111.67 2wqt s ASP 115 Ca 0.14 2.31 0.05 0.00 0.71 0.00 0.00 52.55 55.76 2wqt s ASP 115 Cb -0.00 -2.59 0.17 0.00 1.01 0.00 0.00 42.92 41.51 2wqt s ASP 115 CO 0.01 -1.59 0.43 -0.76 0.21 0.00 0.00 175.17 173.48 2wqt s LEU 116 N -4.18 3.76 0.32 1.23 1.43 -0.28 -4.91 118.68 116.05 2wqt s LEU 116 Ca 0.75 -3.56 0.17 0.00 -1.03 0.00 0.00 54.13 50.46 2wqt s LEU 116 Cb -0.28 -1.27 0.20 0.00 0.03 0.00 0.00 46.19 44.87 2wqt s LEU 116 CO 0.34 -0.12 1.51 1.55 0.23 0.00 0.00 176.35 179.86 2wqt h PRO 117 N 5.55 0.00 -6.29 1.29 0.13 -1.93 -3.37 132.00 127.37 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 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2wqt h PRO 117 CO 0.61 0.40 0.82 0.00 -0.23 0.00 0.00 178.00 179.60 2wqt s ALA 118 N -3.08 3.57 -1.51 -0.56 0.00 -1.26 -4.82 121.76 114.10 2wqt s ALA 118 Ca 0.04 0.70 0.24 0.00 0.00 0.00 0.00 51.96 52.94 2wqt s ALA 118 Cb 0.07 -3.59 1.26 0.00 0.00 0.00 0.00 23.12 20.87 2wqt s ALA 118 CO 0.72 -0.96 1.81 0.25 0.00 0.00 0.00 175.76 177.58 2wqt n THR 119 N 4.87 0.20 -1.79 0.00 -2.24 -1.26 -3.14 114.28 110.92 2wqt n THR 119 Ca 0.13 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 2wqt n THR 119 Cb 0.45 -0.65 0.17 0.00 -2.10 0.00 0.00 70.33 68.19 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 1.60 -4.71 3.42 3.85 -1.26 -4.76 116.55 113.44 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 0.18 -0.48 -0.01 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 -0.78 1.75 -3.94 2.12 3.06 -1.19 -4.99 119.36 115.40 2wqt n ILE 121 Ca 0.17 -0.44 -0.22 0.00 -2.50 0.00 0.00 62.75 59.76 2wqt n ILE 121 Cb 0.79 -1.65 -0.02 0.00 0.54 0.00 0.00 39.64 39.30 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 -0.84 5.27 0.25 9.51 -4.23 -1.26 -4.97 115.64 119.37 2wqt s THR 122 Ca 0.58 -0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 60.14 2wqt s THR 122 Cb -0.56 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 69.73 2wqt s THR 122 CO 0.59 -0.29 1.64 0.15 -0.54 0.00 0.00 174.62 176.17 2wqt h PHE 123 N 1.35 0.03 -0.29 3.99 3.57 -1.94 -1.07 116.94 122.58 2wqt h PHE 123 Ca -0.51 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.95 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 -0.23 -0.21 0.38 -2.23 0.00 0.00 178.31 176.49 2wqt h ASP 124 N 0.13 0.55 -0.19 0.41 2.03 -2.00 -2.77 116.42 114.58 2wqt h ASP 124 Ca 0.44 -0.18 -0.11 0.00 -0.73 0.00 0.00 57.03 56.45 2wqt h ASP 124 Cb 0.80 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 2wqt h ASP 124 CO -0.66 0.76 -0.27 -0.33 -1.03 0.00 0.00 179.24 177.71 2wqt h GLU 125 N 0.49 0.66 -0.76 4.15 5.08 -1.63 -2.76 114.58 119.81 2wqt h GLU 125 Ca 0.08 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2wqt h GLU 125 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2wqt h GLU 125 CO 0.05 0.86 0.33 1.25 -1.00 0.00 0.00 179.01 180.50 2wqt h LEU 126 N 0.57 1.02 -0.70 1.33 5.85 -1.15 -2.81 115.31 119.42 2wqt h LEU 126 Ca 0.07 -0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.79 2wqt h LEU 126 Cb 0.76 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 2wqt h LEU 126 CO 0.06 0.88 0.21 1.88 -0.34 0.00 0.00 178.44 181.13 2wqt h TYR 127 N 1.09 0.34 0.00 1.25 0.05 -1.21 0.12 116.97 118.62 2wqt h TYR 127 Ca 0.26 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.08 2wqt h TYR 127 Cb 0.16 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2wqt h TYR 127 CO 0.02 -0.01 0.00 -1.71 -1.05 0.00 0.00 178.16 175.41 2wqt n ASN 128 N -5.09 0.11 -0.33 3.88 2.85 -1.07 -2.67 115.26 112.94 2wqt n ASN 128 Ca 0.12 0.53 0.11 0.00 -0.11 0.00 0.00 54.58 55.23 2wqt n ASN 128 Cb 0.40 -0.55 0.05 0.00 1.24 0.00 0.00 39.78 40.91 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 -1.54 3.72 -2.67 5.20 0.00 0.40 -4.89 120.51 120.73 2wqt n ALA 129 Ca 0.03 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 2wqt n ALA 129 Cb 0.17 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.61 4.87 -0.20 0.00 1.01 -1.09 -0.32 121.20 122.85 2wqt s ILE 130 Ca 0.17 1.63 -0.20 0.00 0.00 0.00 0.00 60.65 62.24 2wqt s ILE 130 Cb 0.18 -4.14 -0.18 0.00 0.01 0.00 0.00 42.46 38.34 2wqt s ILE 130 CO 0.63 0.01 0.17 1.21 0.00 0.00 0.00 174.94 176.96 2wqt n GLU 131 N 5.34 0.56 -4.13 2.79 2.13 0.16 -4.73 120.64 122.76 2wqt n GLU 131 Ca 0.05 0.57 -0.15 0.00 0.66 0.00 0.00 57.16 58.29 2wqt n GLU 131 Cb 0.49 -1.74 -0.13 0.00 0.27 0.00 0.00 31.44 30.33 2wqt n GLU 131 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2wqt s TRP 132 N -2.36 0.66 -0.10 4.31 0.52 -1.11 -4.59 118.94 116.28 2wqt s TRP 132 Ca -0.28 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.54 2wqt s TRP 132 Cb 0.06 -0.40 -0.00 0.00 -1.15 0.00 0.00 33.47 31.97 2wqt s TRP 132 CO 0.56 -0.04 -0.23 0.54 0.02 0.00 0.00 176.95 177.79 2wqt s VAL 133 N -0.88 2.14 0.04 4.03 0.11 0.39 -1.14 120.40 125.08 2wqt s VAL 133 Ca -0.04 -0.99 -0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2wqt s VAL 133 Cb -0.07 -1.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2wqt s VAL 133 CO 0.00 0.56 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.82 2wqt s LEU 134 N 0.32 2.34 0.32 2.54 2.34 -0.05 -1.76 118.68 124.74 2wqt s LEU 134 Ca -0.18 -0.70 -0.27 0.00 0.06 0.00 0.00 54.13 53.03 2wqt s LEU 134 Cb -0.18 0.11 -0.09 0.00 -0.56 0.00 0.00 46.19 45.47 2wqt s LEU 134 CO 0.09 -0.41 1.03 -2.16 -1.06 0.00 0.00 176.35 173.83 2wqt s PRO 135 N -2.45 4.53 0.03 1.48 0.04 -1.26 -0.12 135.00 137.25 2wqt s PRO 135 Ca -0.06 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2wqt s PRO 135 Cb -0.03 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 2wqt s PRO 135 CO -0.04 0.18 -0.01 0.00 0.04 0.00 0.00 177.00 177.16 2wqt s ALA 136 N -1.40 0.24 -0.09 8.56 0.00 -0.07 -1.01 121.76 127.99 2wqt s ALA 136 Ca 0.49 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2wqt s ALA 136 Cb -0.25 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2wqt s ALA 136 CO 0.32 -0.26 -0.08 -0.51 0.00 0.00 0.00 175.76 175.23 2wqt s LEU 137 N -2.10 3.08 -0.20 0.00 1.43 -0.06 -0.48 118.68 120.34 2wqt s LEU 137 Ca -0.06 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2wqt s LEU 137 Cb -0.02 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2wqt s LEU 137 CO -0.05 0.30 -0.05 -0.70 0.23 0.00 0.00 176.35 176.08 2wqt s GLU 138 N -0.41 3.44 -0.66 1.70 2.12 0.31 -0.97 118.70 124.23 2wqt s GLU 138 Ca 0.06 -0.61 -0.20 0.00 0.36 0.00 0.00 54.97 54.59 2wqt s GLU 138 Cb -0.12 -2.97 0.10 0.00 0.26 0.00 0.00 34.13 31.40 2wqt s GLU 138 CO 0.02 -0.08 0.82 0.08 -0.54 0.00 0.00 175.26 175.56 2wqt s VAL 139 N 1.18 4.73 0.50 3.70 1.01 0.26 -1.38 120.40 130.40 2wqt s VAL 139 Ca 0.02 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2wqt s VAL 139 Cb -0.14 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.59 2wqt s VAL 139 CO -0.01 -1.25 0.93 0.68 0.00 0.00 0.00 175.10 175.45 2wqt s VAL 140 N 2.90 4.63 0.10 2.92 -7.23 0.17 -1.71 120.40 122.17 2wqt s VAL 140 Ca 0.17 1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 61.27 2wqt s VAL 140 Cb -0.19 -3.74 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 2wqt s VAL 140 CO 0.05 -0.70 0.15 -0.83 -0.31 0.00 0.00 175.10 173.46 2wqt s GLY 141 N -3.23 0.31 -0.08 2.32 0.00 -0.23 -1.11 107.32 105.30 2wqt s GLY 141 Ca 0.56 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 44.44 2wqt s GLY 141 CO 0.34 -0.96 -0.13 -0.45 0.00 0.00 0.00 173.10 171.90 2wqt s SER 142 N -2.91 1.96 0.00 1.64 0.15 -0.35 -4.24 113.70 109.96 2wqt s SER 142 Ca 0.09 -0.33 0.28 0.00 0.70 0.00 0.00 55.95 56.69 2wqt s SER 142 Cb 0.05 -0.89 1.27 0.00 -1.71 0.00 0.00 66.02 64.75 2wqt s SER 142 CO -0.08 0.02 1.86 0.54 1.20 0.00 0.00 173.24 176.78 2wqt n ARG 143 N 3.98 1.42 -4.18 5.44 3.00 -1.26 -4.51 116.66 120.55 2wqt n ARG 143 Ca -0.21 -0.62 -0.34 0.00 -0.01 0.00 0.00 57.85 56.67 2wqt n ARG 143 Cb 0.51 -1.46 -0.10 0.00 0.00 0.00 0.00 32.46 31.41 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 -1.97 4.49 -0.11 0.55 1.01 -1.26 -1.01 121.20 122.89 2wqt s ILE 144 Ca 0.39 -0.15 -0.32 0.00 0.00 0.00 0.00 60.65 60.57 2wqt s ILE 144 Cb 0.20 -2.98 -0.15 0.00 0.01 0.00 0.00 42.46 39.54 2wqt s ILE 144 CO 0.33 0.51 0.93 -1.14 0.00 0.00 0.00 174.94 175.56 2wqt n ARG 145 N 3.18 0.00 -3.13 2.79 0.63 0.53 -2.81 116.66 117.85 2wqt n ARG 145 Ca -0.17 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.56 2wqt n ARG 145 Cb 0.53 -1.14 -0.01 0.00 0.45 0.00 0.00 32.46 32.29 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 1.70 -3.45 -1.99 6.15 8.00 -1.26 -0.89 116.55 124.80 2wqt n ASP 146 Ca 0.18 -0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 2wqt n ASP 146 Cb 0.03 -2.90 -0.02 0.00 -0.02 0.00 0.00 41.12 38.21 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 -3.70 -1.15 -2.42 1.24 7.02 -1.12 -4.85 117.44 112.45 2wqt n TRP 147 Ca -0.04 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.06 2wqt n TRP 147 Cb 0.55 -2.29 -0.02 0.00 -2.42 0.00 0.00 31.31 27.13 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 -1.94 6.24 -0.07 -0.99 0.15 -0.07 -4.93 113.70 112.09 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 -1.78 -0.20 -0.51 1.20 0.00 0.00 173.24 171.95 2wqt s ILE 149 N 6.31 1.70 0.50 6.45 1.10 -1.26 -4.78 121.20 131.22 2wqt s ILE 149 Ca 0.57 -0.83 0.06 0.00 -0.51 0.00 0.00 60.65 59.94 2wqt s ILE 149 Cb 0.01 -1.48 0.01 0.00 0.15 0.00 0.00 42.46 41.16 2wqt s ILE 149 CO 0.04 0.48 0.36 -1.10 -2.11 0.00 0.00 174.94 172.61 2wqt s GLN 150 N 0.28 2.31 0.17 3.50 -1.52 -1.26 -4.98 119.66 118.16 2wqt s GLN 150 Ca -0.13 -1.89 -0.22 0.00 -1.95 0.00 0.00 55.36 51.17 2wqt s GLN 150 Cb -0.15 -2.13 0.07 0.00 -0.22 0.00 0.00 33.01 30.57 2wqt s GLN 150 CO 0.06 -0.45 1.61 0.35 -0.25 0.00 0.00 175.29 176.61 2wqt h PHE 151 N 0.92 -0.77 -0.45 0.91 3.57 -1.89 -1.06 116.94 118.17 2wqt h PHE 151 Ca -0.39 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.17 2wqt h PHE 151 Cb 1.29 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 40.40 2wqt h PHE 151 CO 0.83 -0.35 0.30 0.28 -2.23 0.00 0.00 178.31 177.13 2wqt h VAL 152 N -0.22 1.11 -0.13 1.41 2.07 -1.92 -2.06 116.25 116.50 2wqt h VAL 152 Ca 0.18 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2wqt h VAL 152 Cb 0.51 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wqt h VAL 152 CO -0.51 0.11 -0.03 0.44 0.02 0.00 0.00 177.57 177.59 2wqt h ASP 153 N 0.60 0.26 -0.00 0.57 3.32 -1.59 -2.76 116.42 116.81 2wqt h ASP 153 Ca 0.16 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2wqt h ASP 153 Cb -0.06 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wqt h ASP 153 CO -0.04 0.56 0.00 0.74 -1.72 0.00 0.00 179.24 178.79 2wqt h THR 154 N -0.06 1.11 -0.20 0.35 2.02 -1.13 -2.15 112.91 112.84 2wqt h THR 154 Ca 0.03 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2wqt h THR 154 Cb 0.45 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2wqt h THR 154 CO 0.01 0.08 -0.07 0.58 0.37 0.00 0.00 175.52 176.50 2wqt h VAL 155 N -0.13 0.75 -0.95 3.16 2.07 -1.44 0.34 116.25 120.05 2wqt h VAL 155 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2wqt h VAL 155 Cb 0.13 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2wqt h VAL 155 CO -0.00 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.19 2wqt h ALA 156 N 1.16 1.34 -0.15 1.67 0.00 -1.50 -1.99 119.26 119.79 2wqt h ALA 156 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2wqt h ALA 156 Cb 0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2wqt h ALA 156 CO -0.22 0.35 0.12 -3.47 0.00 0.00 0.00 179.25 176.02 2wqt n ASP 157 N -4.56 4.53 -3.76 0.00 4.64 -0.22 -3.75 116.55 113.42 2wqt n ASP 157 Ca 0.15 -2.44 -0.26 0.00 -1.38 0.00 0.00 54.79 50.86 2wqt n ASP 157 Cb 0.21 -0.86 0.04 0.00 -1.04 0.00 0.00 41.12 39.48 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 0.74 -3.93 -3.42 1.67 5.15 -0.75 -1.77 115.26 112.95 2wqt n ASN 158 Ca 0.09 -0.73 -0.25 0.00 -0.60 0.00 0.00 54.58 53.09 2wqt n ASN 158 Cb 0.59 -4.24 0.02 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 -4.60 -1.10 -4.02 5.20 0.00 0.10 -2.03 120.51 114.07 2wqt n ALA 159 Ca -0.08 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 2wqt n ALA 159 Cb 0.58 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.40 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 -2.52 -3.48 -4.77 0.00 7.64 -0.73 -4.88 113.62 104.87 2wqt n SER 160 Ca -0.03 -0.89 -0.37 0.00 1.01 0.00 0.00 58.87 58.59 2wqt n SER 160 Cb 0.56 -3.39 -0.02 0.00 -1.01 0.00 0.00 64.21 60.35 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 0.45 0.72 3.24 0.00 0.00 -0.92 -4.18 105.19 104.51 2wqt n GLY 162 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 0.21 0.14 0.05 1.61 -7.23 -0.69 -4.89 120.40 109.58 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 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 2wqt s VAL 163 CO 0.00 0.00 -0.01 -0.72 -0.31 0.00 0.00 175.10 174.06 2wqt s TYR 164 N -3.96 0.44 -0.02 2.82 1.13 -0.12 -0.57 117.35 117.08 2wqt s TYR 164 Ca 0.39 -0.91 0.04 0.00 -1.41 0.00 0.00 57.07 55.17 2wqt s TYR 164 Cb 0.06 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 2wqt s TYR 164 CO 0.14 -0.35 -0.12 0.54 -2.51 0.00 0.00 175.55 173.25 2wqt s VAL 165 N -3.40 0.98 -0.09 -3.49 0.11 -0.15 -0.37 120.40 113.99 2wqt s VAL 165 Ca 0.02 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2wqt s VAL 165 Cb 0.04 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2wqt s VAL 165 CO -0.08 0.28 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.23 2wqt s ILE 166 N -0.15 3.29 0.00 7.04 1.01 -0.85 -0.88 121.20 130.65 2wqt s ILE 166 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2wqt s ILE 166 Cb -0.06 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2wqt s ILE 166 CO -0.00 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2wqt n GLY 167 N 2.86 3.75 3.80 6.18 0.00 -0.18 -1.42 105.19 120.17 2wqt n GLY 167 Ca -0.18 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.07 0.70 -0.02 0.00 -1.09 -4.65 107.32 102.19 2wqt s GLY 168 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.47 2wqt s GLY 168 CO 0.00 0.49 1.07 -4.14 0.00 0.00 0.00 173.10 170.51 2wqt s PRO 169 N -3.01 2.84 0.11 2.90 0.02 -1.26 -1.62 135.00 134.99 2wqt s PRO 169 Ca 0.15 1.02 -0.30 0.00 0.02 0.00 0.00 61.00 61.88 2wqt s PRO 169 Cb -0.03 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 2wqt s PRO 169 CO 0.05 -1.18 1.11 0.00 -0.33 0.00 0.00 177.00 176.65 2wqt s ALA 170 N -2.96 3.34 0.10 -1.55 0.00 -1.26 -4.64 121.76 114.79 2wqt s ALA 170 Ca 0.59 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.43 2wqt s ALA 170 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2wqt s ALA 170 CO 0.54 -0.28 -0.25 -0.65 0.00 0.00 0.00 175.76 175.11 2wqt s GLN 171 N 0.31 1.42 0.29 0.00 -1.52 -0.72 -4.98 119.66 114.46 2wqt s GLN 171 Ca 0.53 -1.24 -0.17 0.00 -1.95 0.00 0.00 55.36 52.52 2wqt s GLN 171 Cb -0.28 -1.79 -0.09 0.00 -0.22 0.00 0.00 33.01 30.63 2wqt s GLN 171 CO 0.32 0.43 0.74 1.03 -0.25 0.00 0.00 175.29 177.56 2wqt s ARG 172 N -1.82 4.11 0.39 2.91 1.81 -1.26 -0.46 118.95 124.63 2wqt s ARG 172 Ca 0.12 0.77 0.14 0.00 -1.72 0.00 0.00 55.73 55.03 2wqt s ARG 172 Cb -0.10 -2.60 0.80 0.00 -0.45 0.00 0.00 34.95 32.60 2wqt s ARG 172 CO 0.05 0.24 1.86 -1.00 -0.68 0.00 0.00 175.30 175.77 2wqt h PRO 173 N 2.71 0.00 -6.25 3.54 0.13 -1.85 -3.41 132.00 126.87 2wqt h PRO 173 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 2wqt h PRO 173 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2wqt h PRO 173 CO 0.65 0.33 1.20 0.00 -0.23 0.00 0.00 178.00 179.95 2wqt n ALA 174 N -2.46 1.19 0.00 -0.56 0.00 -1.26 -1.53 120.51 115.89 2wqt n ALA 174 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2wqt n ALA 174 Cb 0.37 -2.60 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 4.74 2.36 3.73 0.00 0.00 -1.26 -5.02 105.19 109.74 2wqt n GLY 175 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 4.40 -0.59 0.99 1.43 -0.58 -4.98 118.68 119.34 2wqt s LEU 176 Ca 0.00 2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 55.34 2wqt s LEU 176 Cb 0.00 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2wqt s LEU 176 CO 0.00 -0.62 0.92 -0.62 0.23 0.00 0.00 176.35 176.26 2wqt s ASP 177 N 0.56 6.25 0.05 2.29 3.68 -1.26 -4.87 116.67 123.38 2wqt s ASP 177 Ca 0.60 -0.70 0.23 0.00 2.13 0.00 0.00 52.55 54.81 2wqt s ASP 177 Cb -0.38 -2.41 0.02 0.00 -1.45 0.00 0.00 42.92 38.69 2wqt s ASP 177 CO 0.37 -1.29 0.99 0.18 0.13 0.00 0.00 175.17 175.56 2wqt n LEU 178 N 7.44 0.60 -0.06 -1.34 4.77 -1.26 -4.23 117.00 122.91 2wqt n LEU 178 Ca -0.02 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 2wqt n LEU 178 Cb 0.46 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2wqt n LEU 178 CO 0.63 0.03 -0.13 0.50 -1.33 0.00 0.00 177.39 177.09 2wqt h LYS 179 N 0.00 0.06 -0.92 3.23 3.64 -1.92 -3.40 116.57 117.27 2wqt h LYS 179 Ca 0.00 -0.11 -0.60 0.00 -1.27 0.00 0.00 60.65 58.68 2wqt h LYS 179 Cb 0.76 0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 32.32 2wqt h LYS 179 CO 0.00 1.05 0.53 0.09 -2.27 0.00 0.00 179.45 178.85 2wqt n ASN 180 N -4.39 6.21 -4.48 4.20 4.13 -1.26 -2.49 115.26 117.18 2wqt n ASN 180 Ca -0.21 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 51.86 2wqt n ASN 180 Cb 0.65 -0.84 -0.04 0.00 -1.54 0.00 0.00 39.78 38.01 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 3.80 3.50 -0.09 0.00 0.00 -1.26 -2.56 121.76 125.15 2wqt s ALA 182 Ca 0.24 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.42 2wqt s ALA 182 Cb -0.16 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.50 2wqt s ALA 182 CO 0.14 -0.57 -0.18 1.41 0.00 0.00 0.00 175.76 176.56 2wqt s MET 183 N -1.25 2.43 -0.09 0.00 0.00 0.02 -0.24 119.30 120.18 2wqt s MET 183 Ca 0.51 -0.66 0.02 0.00 0.00 0.00 0.00 55.69 55.56 2wqt s MET 183 Cb -0.38 -1.93 0.01 0.00 0.00 0.00 0.00 34.83 32.53 2wqt s MET 183 CO 0.47 0.06 -0.15 0.15 0.00 0.00 0.00 175.02 175.56 2wqt s LYS 184 N 0.62 2.10 -0.07 4.11 1.02 -0.69 -1.65 119.74 125.18 2wqt s LYS 184 Ca -0.14 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.36 2wqt s LYS 184 Cb -0.16 -1.73 -0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2wqt s LYS 184 CO 0.04 0.01 -0.22 1.41 -0.92 0.00 0.00 175.35 175.67 2wqt s MET 185 N 0.76 2.53 0.03 1.68 1.75 0.46 -0.98 119.30 125.52 2wqt s MET 185 Ca -0.12 -0.81 0.06 0.00 -1.25 0.00 0.00 55.69 53.57 2wqt s MET 185 Cb -0.16 -2.05 -0.03 0.00 2.84 0.00 0.00 34.83 35.43 2wqt s MET 185 CO 0.02 0.26 -0.16 0.95 -0.65 0.00 0.00 175.02 175.45 2wqt s THR 186 N 0.10 2.96 -0.19 10.11 -4.23 -0.36 -0.50 115.64 123.53 2wqt s THR 186 Ca -0.10 -1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 2wqt s THR 186 Cb -0.15 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 2wqt s THR 186 CO 0.05 0.37 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.87 2wqt s ARG 187 N -1.37 3.52 -1.49 3.99 3.52 0.29 -1.63 118.95 125.78 2wqt s ARG 187 Ca 0.15 -0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 55.05 2wqt s ARG 187 Cb -0.11 -2.97 0.08 0.00 -1.56 0.00 0.00 34.95 30.40 2wqt s ARG 187 CO 0.05 0.01 0.80 0.09 -0.81 0.00 0.00 175.30 175.45 2wqt n ASN 188 N 4.20 -4.51 -0.68 -2.12 3.02 0.44 -1.06 115.26 114.55 2wqt n ASN 188 Ca -0.18 -0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 53.63 2wqt n ASN 188 Cb 0.52 -3.64 -0.04 0.00 -0.61 0.00 0.00 39.78 36.01 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 -2.64 -4.37 -4.23 6.41 3.02 -1.26 -5.01 115.26 107.19 2wqt n ASN 189 Ca 0.02 0.22 -0.34 0.00 -0.03 0.00 0.00 54.58 54.45 2wqt n ASN 189 Cb 0.53 -2.65 -0.15 0.00 -0.61 0.00 0.00 39.78 36.90 2wqt n ASN 189 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2wqt s GLU 190 N -2.57 3.20 0.20 3.52 2.56 -0.23 -5.00 118.70 120.38 2wqt s GLU 190 Ca 0.00 -0.72 -0.33 0.00 0.00 0.00 0.00 54.97 53.92 2wqt s GLU 190 Cb 0.00 -2.82 -0.13 0.00 2.00 0.00 0.00 34.13 33.18 2wqt s GLU 190 CO 0.00 -0.21 1.62 -1.91 -0.56 0.00 0.00 175.26 174.20 2wqt n GLU 191 N 4.72 2.43 0.00 4.30 2.13 -1.26 -0.55 120.64 132.41 2wqt n GLU 191 Ca -0.19 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2wqt n GLU 191 Cb 0.50 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.55 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 3.35 0.00 -3.63 6.31 0.24 0.35 -4.85 118.33 120.09 2wqt n VAL 192 Ca 0.15 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.28 2wqt n VAL 192 Cb 0.32 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.82 -0.51 0.23 -1.34 0.15 -0.97 -4.96 113.70 105.48 2wqt s SER 193 Ca 0.00 0.66 -0.16 0.00 0.70 0.00 0.00 55.95 57.15 2wqt s SER 193 Cb 0.00 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 2wqt s SER 193 CO 0.00 -0.45 0.52 -0.94 1.20 0.00 0.00 173.24 173.57 2wqt s SER 194 N -0.83 -0.18 0.00 5.45 1.04 -1.26 -0.40 113.70 117.52 2wqt s SER 194 Ca -0.09 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2wqt s SER 194 Cb -0.03 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2wqt s SER 194 CO 0.06 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2wqt n GLY 195 N -0.37 -0.59 3.54 7.32 0.00 -0.66 -4.32 105.19 110.11 2wqt n GLY 195 Ca -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.86 1.27 0.47 1.61 1.70 -0.99 -0.80 118.95 121.34 2wqt s ARG 196 Ca 0.00 -0.54 0.28 0.00 -0.47 0.00 0.00 55.73 55.00 2wqt s ARG 196 Cb 0.00 0.54 1.34 0.00 -0.57 0.00 0.00 34.95 36.26 2wqt s ARG 196 CO 0.00 -0.57 1.76 0.78 -1.08 0.00 0.00 175.30 176.20 2wqt h GLY 197 N 2.00 0.71 2.00 3.88 0.00 -1.45 -1.57 103.07 108.64 2wqt h GLY 197 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2wqt h GLY 197 CO 0.33 -0.11 0.00 1.48 0.00 0.00 0.00 176.54 178.24 2wqt h SER 198 N 0.19 0.00 1.16 0.19 4.64 -1.67 -2.56 113.55 115.49 2wqt h SER 198 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2wqt h SER 198 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2wqt h SER 198 CO -0.19 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.15 2wqt n GLU 199 N -2.37 0.23 -3.21 4.77 1.02 -0.59 -2.33 120.64 118.16 2wqt n GLU 199 Ca 0.02 0.30 -0.44 0.00 -0.02 0.00 0.00 57.16 57.02 2wqt n GLU 199 Cb 0.26 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2wqt n GLU 199 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wqt n LEU 201 N 2.61 -1.74 0.00 0.00 4.77 -0.80 -2.05 117.00 119.80 2wqt n LEU 201 Ca 0.26 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2wqt n LEU 201 Cb 0.38 -2.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 2wqt n LEU 201 CO 0.55 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2wqt n GLY 202 N -1.13 2.77 3.65 -0.72 0.00 -0.98 -4.76 105.19 104.01 2wqt n GLY 202 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.06 -0.28 0.47 1.61 5.65 -0.87 -4.29 115.29 116.53 2wqt s HIS 203 Ca 0.00 0.58 0.21 0.00 0.25 0.00 0.00 55.06 56.10 2wqt s HIS 203 Cb 0.00 0.25 1.22 0.00 -1.18 0.00 0.00 32.58 32.87 2wqt s HIS 203 CO 0.00 -0.14 1.90 -1.35 -0.65 0.00 0.00 174.74 174.51 2wqt h PRO 204 N 4.99 0.24 0.00 2.88 0.11 -1.67 0.11 132.00 138.67 2wqt h PRO 204 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wqt h PRO 204 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wqt h PRO 204 CO 0.20 0.16 0.00 -0.07 -0.21 0.00 0.00 178.00 178.08 2wqt h LEU 205 N 0.25 0.00 -0.56 2.35 3.38 -1.93 -2.37 115.31 116.44 2wqt h LEU 205 Ca 0.40 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.23 2wqt h LEU 205 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2wqt h LEU 205 CO -0.10 0.00 -0.28 0.78 0.09 0.00 0.00 178.44 178.94 2wqt h ASN 206 N 0.00 0.90 -0.44 -0.43 2.35 -1.06 0.58 115.58 117.48 2wqt h ASN 206 Ca 0.00 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 2wqt h ASN 206 Cb 0.52 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2wqt h ASN 206 CO 0.00 1.11 0.09 0.00 -1.65 0.00 0.00 177.43 176.99 2wqt h ALA 207 N 0.94 0.58 -0.80 -0.83 0.00 -1.47 -0.17 119.26 117.51 2wqt h ALA 207 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2wqt h ALA 207 Cb 0.83 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2wqt h ALA 207 CO 0.07 0.28 0.42 0.00 0.00 0.00 0.00 179.25 180.01 2wqt h ALA 208 N 0.96 1.03 0.03 0.00 0.00 -1.34 -1.14 119.26 118.79 2wqt h ALA 208 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wqt h ALA 208 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wqt h ALA 208 CO 0.00 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.08 2wqt h VAL 209 N 1.12 1.10 -0.62 0.00 2.07 -0.61 -0.32 116.25 118.99 2wqt h VAL 209 Ca 0.28 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.50 2wqt h VAL 209 Cb 0.07 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 2wqt h VAL 209 CO -0.04 0.10 0.19 -0.25 0.02 0.00 0.00 177.57 177.59 2wqt h TRP 210 N -0.22 0.33 -0.24 1.57 7.01 -0.89 -1.78 115.95 121.73 2wqt h TRP 210 Ca -0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 2wqt h TRP 210 Cb 0.20 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2wqt h TRP 210 CO -0.02 0.04 0.02 1.25 -2.79 0.00 0.00 178.44 176.94 2wqt h LEU 211 N 0.35 0.41 -0.84 0.65 5.85 -1.05 -2.09 115.31 118.58 2wqt h LEU 211 Ca 0.32 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2wqt h LEU 211 Cb 0.45 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2wqt h LEU 211 CO -0.36 0.60 0.50 0.00 -0.34 0.00 0.00 178.44 178.83 2wqt h ALA 212 N 0.83 1.18 0.13 1.25 0.00 -0.58 -0.99 119.26 121.09 2wqt h ALA 212 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 212 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wqt h ALA 212 CO 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.36 2wqt h ARG 213 N 0.86 -0.17 -0.15 0.00 3.08 -1.27 -2.05 114.38 114.68 2wqt h ARG 213 Ca 0.39 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.50 2wqt h ARG 213 Cb 0.30 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 2wqt h ARG 213 CO -0.22 0.13 -0.40 0.87 -1.07 0.00 0.00 179.97 179.28 2wqt h LYS 214 N -0.48 -0.44 -0.83 0.04 1.79 -1.04 -0.71 116.57 114.90 2wqt h LYS 214 Ca -0.02 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 2wqt h LYS 214 Cb 0.38 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 2wqt h LYS 214 CO 0.03 -0.29 0.50 0.52 -1.08 0.00 0.00 179.45 179.13 2wqt h MET 215 N -0.46 0.87 -0.68 3.15 2.86 -1.22 -0.09 114.93 119.37 2wqt h MET 215 Ca 0.09 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2wqt h MET 215 Cb 0.61 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2wqt h MET 215 CO -0.40 0.58 0.21 0.00 1.06 0.00 0.00 176.91 178.36 2wqt h ALA 216 N 1.41 0.89 0.00 6.32 0.00 -0.95 -0.89 119.26 126.04 2wqt h ALA 216 Ca 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wqt h ALA 216 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wqt h ALA 216 CO -0.19 0.57 -0.02 0.66 0.00 0.00 0.00 179.25 180.27 2wqt h SER 217 N 1.00 0.00 0.29 0.00 4.64 -0.19 -2.53 113.55 116.76 2wqt h SER 217 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2wqt h SER 217 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2wqt h SER 217 CO -0.01 0.02 -0.04 0.18 -0.87 0.00 0.00 176.83 176.12 2wqt n LEU 218 N -3.11 0.28 -0.19 5.97 4.32 -0.14 -4.90 117.00 119.23 2wqt n LEU 218 Ca 0.03 0.05 -0.02 0.00 -0.02 0.00 0.00 56.01 56.04 2wqt n LEU 218 Cb 0.46 -0.15 -0.01 0.00 -1.62 0.00 0.00 43.42 42.10 2wqt n LEU 218 CO 0.32 0.05 -0.02 0.61 -1.22 0.00 0.00 177.39 177.13 2wqt n GLY 219 N 1.19 0.58 2.53 -0.72 0.00 -0.95 -4.97 105.19 102.86 2wqt n GLY 219 Ca 0.17 -0.55 -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 -2.64 2.47 -1.70 1.61 1.02 -0.37 -5.03 120.64 115.99 2wqt n GLU 220 Ca -0.02 -4.51 -0.38 0.00 -0.02 0.00 0.00 57.16 52.22 2wqt n GLU 220 Cb 0.12 -2.12 0.05 0.00 -0.02 0.00 0.00 31.44 29.47 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 0.55 1.42 -1.82 3.49 -0.02 -1.21 -4.44 135.00 132.98 2wqt n PRO 221 Ca 0.29 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 2wqt n PRO 221 Cb 0.43 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 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 -2.96 4.35 0.15 2.45 1.43 -1.26 -4.86 118.68 117.98 2wqt s LEU 222 Ca 0.73 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.73 2wqt s LEU 222 Cb -0.43 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 2wqt s LEU 222 CO 0.48 -0.88 0.31 -0.13 0.23 0.00 0.00 176.35 176.37 2wqt s ARG 223 N -0.50 3.49 0.30 1.70 0.52 -1.26 -1.13 118.95 122.06 2wqt s ARG 223 Ca 0.62 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 55.12 2wqt s ARG 223 Cb -0.47 -2.93 -0.13 0.00 0.52 0.00 0.00 34.95 31.95 2wqt s ARG 223 CO 0.47 0.49 1.29 -2.37 0.02 0.00 0.00 175.30 175.21 2wqt n THR 224 N -0.33 1.64 0.00 0.02 5.66 -1.23 -1.89 114.28 118.15 2wqt n THR 224 Ca -0.05 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2wqt n THR 224 Cb 0.53 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 1.29 2.61 3.71 1.09 0.00 -0.22 -4.91 105.19 108.77 2wqt n GLY 225 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2wqt n GLY 225 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wqt n ASP 226 N 0.00 2.21 -4.71 1.61 10.43 -0.79 -4.62 116.55 120.67 2wqt n ASP 226 Ca 0.00 0.95 -0.35 0.00 2.57 0.00 0.00 54.79 57.96 2wqt n ASP 226 Cb 0.00 -1.52 -0.09 0.00 1.84 0.00 0.00 41.12 41.35 2wqt n ASP 226 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2wqt s ILE 227 N -1.32 4.60 -0.16 0.53 2.07 -0.25 -2.28 121.20 124.39 2wqt s ILE 227 Ca 0.72 -0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.83 2wqt s ILE 227 Cb -0.43 -2.97 0.02 0.00 0.13 0.00 0.00 42.46 39.21 2wqt s ILE 227 CO 0.49 0.59 -0.17 -0.63 -1.91 0.00 0.00 174.94 173.32 2wqt s ILE 228 N -0.74 1.77 -0.32 2.00 1.01 0.44 -1.97 121.20 123.39 2wqt s ILE 228 Ca 0.12 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 2wqt s ILE 228 Cb -0.12 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 2wqt s ILE 228 CO 0.02 0.49 0.64 -0.76 0.00 0.00 0.00 174.94 175.33 2wqt s LEU 229 N 1.33 4.18 0.00 2.97 1.43 -0.63 -0.87 118.68 127.09 2wqt s LEU 229 Ca 0.03 0.33 0.29 0.00 -1.03 0.00 0.00 54.13 53.76 2wqt s LEU 229 Cb -0.13 -2.81 1.37 0.00 0.03 0.00 0.00 46.19 44.64 2wqt s LEU 229 CO -0.10 -0.53 1.93 0.35 0.23 0.00 0.00 176.35 178.23 2wqt n THR 230 N 5.47 0.00 0.00 5.49 -2.24 -0.77 -0.24 114.28 121.99 2wqt n THR 230 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2wqt n THR 230 Cb 0.49 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.16 3.01 3.73 3.38 0.00 -1.21 -4.74 105.19 110.52 2wqt n GLY 231 Ca 0.19 -1.95 -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 -2.94 3.67 -0.27 4.61 0.00 -1.26 -4.34 121.76 121.23 2wqt s ALA 232 Ca 0.00 1.33 0.21 0.00 0.00 0.00 0.00 51.96 53.49 2wqt s ALA 232 Cb 0.00 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.64 2wqt s ALA 232 CO 0.00 -0.75 1.26 -0.07 0.00 0.00 0.00 175.76 176.20 2wqt h LEU 233 N 5.69 0.00 -8.13 0.00 3.38 -1.32 -3.40 115.31 111.53 2wqt h LEU 233 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2wqt h LEU 233 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2wqt h LEU 233 CO 0.82 0.17 0.11 -0.83 0.09 0.00 0.00 178.44 178.80 2wqt s GLY 234 N -4.39 0.47 0.46 0.83 0.00 -1.26 -2.36 107.32 101.06 2wqt s GLY 234 Ca 0.02 -0.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.71 2wqt s GLY 234 CO 0.75 -0.43 1.37 -4.14 0.00 0.00 0.00 173.10 170.65 2wqt s PRO 235 N -3.19 3.66 0.62 2.90 0.02 -1.26 -4.69 135.00 133.05 2wqt s PRO 235 Ca 0.18 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.33 2wqt s PRO 235 Cb -0.04 -2.59 -0.02 0.00 0.02 0.00 0.00 34.50 31.87 2wqt s PRO 235 CO 0.11 -0.79 1.07 0.00 -0.33 0.00 0.00 177.00 177.06 2wqt s MET 236 N -2.50 3.14 0.09 5.54 0.23 -1.26 -4.81 119.30 119.72 2wqt s MET 236 Ca 0.62 1.24 0.05 0.00 -1.03 0.00 0.00 55.69 56.57 2wqt s MET 236 Cb -0.41 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 30.86 2wqt s MET 236 CO 0.51 -0.96 -0.14 0.14 -2.03 0.00 0.00 175.02 172.55 2wqt s VAL 237 N -2.47 1.14 0.32 5.16 -7.23 -0.69 -4.95 120.40 111.68 2wqt s VAL 237 Ca 0.64 -1.44 -0.28 0.00 -1.81 0.00 0.00 61.98 59.09 2wqt s VAL 237 Cb -0.17 -1.21 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 2wqt s VAL 237 CO 0.40 -0.31 1.19 0.00 -0.31 0.00 0.00 175.10 176.07 2wqt s ALA 238 N -1.60 3.39 -0.19 1.32 0.00 -1.26 -1.62 121.76 121.80 2wqt s ALA 238 Ca 0.01 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2wqt s ALA 238 Cb -0.08 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 2wqt s ALA 238 CO 0.02 -0.42 0.18 0.08 0.00 0.00 0.00 175.76 175.62 2wqt s VAL 239 N -1.21 5.38 0.20 0.00 1.01 -0.54 -4.88 120.40 120.36 2wqt s VAL 239 Ca 0.49 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.86 2wqt s VAL 239 Cb -0.35 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2wqt s VAL 239 CO 0.45 0.43 -0.10 0.20 0.00 0.00 0.00 175.10 176.08 2wqt s ASN 240 N 0.36 4.18 0.14 3.32 0.02 -1.26 -4.71 114.94 116.99 2wqt s ASN 240 Ca 0.11 -0.64 -0.34 0.00 -1.02 0.00 0.00 52.86 50.97 2wqt s ASN 240 Cb -0.12 -0.67 -0.17 0.00 0.02 0.00 0.00 41.25 40.32 2wqt s ASN 240 CO -0.00 0.09 1.05 0.00 0.02 0.00 0.00 177.10 178.25 2wqt n ALA 241 N -0.12 -1.70 -0.03 0.60 0.00 -1.26 -1.81 120.51 116.19 2wqt n ALA 241 Ca -0.10 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wqt n ALA 241 Cb 0.56 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.92 2.66 3.77 0.00 0.00 0.12 -4.98 105.19 108.67 2wqt n GLY 242 Ca 0.17 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 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 243 N -3.79 6.35 -0.22 1.61 -0.00 -0.75 -4.63 116.67 115.25 2wqt s ASP 243 Ca 0.00 3.01 -0.04 0.00 -0.00 0.00 0.00 52.55 55.52 2wqt s ASP 243 Cb 0.00 -2.65 -0.01 0.00 -0.00 0.00 0.00 42.92 40.26 2wqt s ASP 243 CO 0.00 -0.90 -0.05 -0.60 -0.00 0.00 0.00 175.17 173.63 2wqt s ARG 244 N -1.40 3.38 -0.12 8.23 6.06 -1.26 -0.98 118.95 132.86 2wqt s ARG 244 Ca 0.57 -0.63 -0.02 0.00 -2.50 0.00 0.00 55.73 53.16 2wqt s ARG 244 Cb -0.47 -3.00 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 2wqt s ARG 244 CO 0.57 -0.19 -0.04 -0.06 -2.50 0.00 0.00 175.30 173.08 2wqt s PHE 245 N 1.46 3.03 -0.04 5.12 0.40 0.11 -0.42 117.98 127.64 2wqt s PHE 245 Ca 0.06 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 2wqt s PHE 245 Cb -0.14 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.56 2wqt s PHE 245 CO -0.03 0.17 0.02 -2.00 0.70 0.00 0.00 175.22 174.07 2wqt s GLU 246 N -0.21 0.26 -0.06 0.44 2.12 -0.65 -0.87 118.70 119.73 2wqt s GLU 246 Ca 0.04 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.55 2wqt s GLU 246 Cb -0.13 -0.58 -0.03 0.00 0.26 0.00 0.00 34.13 33.66 2wqt s GLU 246 CO 0.02 -0.22 -0.11 0.00 -0.54 0.00 0.00 175.26 174.41 2wqt s ALA 247 N 1.48 2.77 -0.13 6.30 0.00 -0.06 -1.23 121.76 130.90 2wqt s ALA 247 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2wqt s ALA 247 Cb -0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2wqt s ALA 247 CO -0.03 0.53 -0.16 -1.58 0.00 0.00 0.00 175.76 174.52 2wqt s HIS 248 N -0.66 2.74 -0.20 0.00 2.46 -0.16 -1.54 115.29 117.93 2wqt s HIS 248 Ca 0.10 -0.82 0.01 0.00 0.47 0.00 0.00 55.06 54.82 2wqt s HIS 248 Cb -0.11 -1.82 0.03 0.00 -0.13 0.00 0.00 32.58 30.55 2wqt s HIS 248 CO 0.01 -0.32 -0.16 0.42 -2.47 0.00 0.00 174.74 172.22 2wqt s ILE 249 N 0.45 1.99 0.11 0.89 1.01 0.53 -1.70 121.20 124.48 2wqt s ILE 249 Ca -0.12 -1.08 -0.31 0.00 0.00 0.00 0.00 60.65 59.14 2wqt s ILE 249 Cb -0.16 -1.91 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 2wqt s ILE 249 CO 0.05 0.36 1.73 -0.70 0.00 0.00 0.00 174.94 176.38 2wqt s GLU 250 N 1.28 4.17 0.00 2.79 2.12 0.67 -1.30 118.70 128.42 2wqt s GLU 250 Ca 0.01 2.46 0.00 0.00 0.36 0.00 0.00 54.97 57.80 2wqt s GLU 250 Cb -0.15 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2wqt s GLU 250 CO -0.10 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 2wqt n GLY 251 N 4.08 1.81 0.85 -1.50 0.00 -1.26 -4.49 105.19 104.68 2wqt n GLY 251 Ca 0.16 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 0.66 -0.90 -0.61 5.41 -0.69 -4.84 119.36 116.38 2wqt n ILE 252 Ca 0.00 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2wqt n ILE 252 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 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 2.85 -0.10 3.17 7.39 0.00 -0.42 -4.03 105.19 114.05 2wqt n GLY 253 Ca -0.07 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 0.10 0.02 1.61 1.04 -0.64 -0.35 113.70 111.48 2wqt s SER 254 Ca 0.00 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.94 2wqt s SER 254 Cb 0.00 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2wqt s SER 254 CO 0.00 -0.61 -0.08 -0.69 0.98 0.00 0.00 173.24 172.85 2wqt s VAL 255 N -3.06 0.57 0.04 5.02 1.01 -0.59 -2.69 120.40 120.70 2wqt s VAL 255 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2wqt s VAL 255 Cb 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2wqt s VAL 255 CO -0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 175.10 174.89 2wqt s ALA 256 N -0.66 0.65 -0.07 5.51 0.00 -1.26 -0.89 121.76 125.05 2wqt s ALA 256 Ca -0.02 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 2wqt s ALA 256 Cb -0.06 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.11 2wqt s ALA 256 CO 0.00 0.01 0.30 0.00 0.00 0.00 0.00 175.76 176.07 2wqt s ALA 257 N -1.30 -0.75 -0.02 0.00 0.00 -0.05 -0.67 121.76 118.97 2wqt s ALA 257 Ca -0.08 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.53 2wqt s ALA 257 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2wqt s ALA 257 CO 0.01 -0.20 -0.24 0.99 0.00 0.00 0.00 175.76 176.32 2wqt s THR 258 N -0.56 1.89 -0.08 0.00 2.01 -0.98 0.06 115.64 117.99 2wqt s THR 258 Ca -0.07 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 2wqt s THR 258 Cb -0.04 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2wqt s THR 258 CO 0.02 0.53 0.14 -0.36 -0.69 0.00 0.00 174.62 174.26 2wqt s PHE 259 N -0.51 3.54 0.00 4.92 0.08 -0.15 0.22 117.98 126.08 2wqt s PHE 259 Ca 0.08 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.57 2wqt s PHE 259 Cb -0.10 -1.89 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 1.67 -0.21 -0.48 1.36 3.41 -0.25 -2.50 113.62 116.62 2wqt n SER 260 Ca -0.17 -0.17 0.06 0.00 -0.26 0.00 0.00 58.87 58.33 2wqt n SER 260 Cb 0.54 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 2wqt n SER 260 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68