#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 0.14 -0.01 1.96 2.86 -2.08 -3.36 114.93 114.44 2wqt h MET 1 Ca 0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 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 1.12 -0.04 0.25 1.06 0.00 0.00 176.91 179.29 2wqt n THR 2 N -4.21 0.00 -0.31 2.22 -2.24 -1.26 -4.33 114.28 104.15 2wqt n THR 2 Ca -0.22 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 2wqt n THR 2 Cb 0.75 0.31 0.11 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.76 1.04 -0.47 -0.78 3.64 -2.00 0.27 116.57 120.03 2wqt h LYS 3 Ca 0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2wqt h LYS 3 Cb 0.42 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2wqt h LYS 3 CO 0.00 0.69 0.14 1.25 -2.27 0.00 0.00 179.45 179.26 2wqt h HIS 4 N 1.07 0.77 -0.97 1.91 2.76 -1.84 -1.68 115.15 117.17 2wqt h HIS 4 Ca 0.35 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2wqt h HIS 4 Cb 0.02 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.71 2wqt h HIS 4 CO -0.02 0.68 0.64 1.15 -1.30 0.00 0.00 177.93 179.08 2wqt h THR 5 N 0.63 1.25 -0.47 6.26 2.02 -1.65 -2.03 112.91 118.93 2wqt h THR 5 Ca 0.15 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2wqt h THR 5 Cb 0.28 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2wqt h THR 5 CO -0.00 0.24 0.25 -0.07 0.37 0.00 0.00 175.52 176.31 2wqt h LEU 6 N 1.31 0.59 -0.80 2.58 4.07 -0.62 -0.80 115.31 121.64 2wqt h LEU 6 Ca 0.35 -0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.25 2wqt h LEU 6 Cb -0.15 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.39 2wqt h LEU 6 CO -0.08 0.51 0.51 -0.33 -1.08 0.00 0.00 178.44 177.97 2wqt h GLU 7 N 0.61 0.96 -0.18 1.13 4.39 -1.02 -0.30 114.58 120.17 2wqt h GLU 7 Ca 0.16 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2wqt h GLU 7 Cb 0.06 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2wqt h GLU 7 CO -0.03 0.63 0.09 1.96 -1.16 0.00 0.00 179.01 180.51 2wqt h GLN 8 N 0.99 0.25 -0.57 2.33 4.20 -0.95 -1.30 115.11 120.06 2wqt h GLN 8 Ca 0.32 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.89 2wqt h GLN 8 Cb 0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2wqt h GLN 8 CO -0.11 0.26 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.17 2wqt h LEU 9 N 0.18 1.03 -0.58 1.46 3.38 -0.92 -1.28 115.31 118.57 2wqt h LEU 9 Ca 0.06 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2wqt h LEU 9 Cb 0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2wqt h LEU 9 CO -0.01 1.12 0.31 0.00 0.09 0.00 0.00 178.44 179.94 2wqt h ALA 10 N 0.98 0.76 -0.64 1.53 0.00 -0.95 -1.26 119.26 119.69 2wqt h ALA 10 Ca 0.15 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 10 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2wqt h ALA 10 CO 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.42 2wqt h ALA 11 N 1.31 1.07 -0.74 0.00 0.00 -0.92 -1.55 119.26 118.43 2wqt h ALA 11 Ca 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wqt h ALA 11 Cb 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2wqt h ALA 11 CO -0.17 0.62 0.49 -0.44 0.00 0.00 0.00 179.25 179.74 2wqt h ASP 12 N 0.95 0.85 -0.40 0.00 3.32 -0.58 -0.69 116.42 119.88 2wqt h ASP 12 Ca 0.20 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 2wqt h ASP 12 Cb 0.34 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2wqt h ASP 12 CO 0.00 0.62 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.02 2wqt h LEU 13 N 1.01 0.80 -0.28 1.55 4.07 -0.94 -0.84 115.31 120.68 2wqt h LEU 13 Ca 0.27 -0.22 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 2wqt h LEU 13 Cb -0.11 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.40 2wqt h LEU 13 CO -0.06 0.89 -0.03 0.03 -1.08 0.00 0.00 178.44 178.20 2wqt h ARG 14 N 0.75 0.51 -0.77 1.13 3.08 -0.77 -2.52 114.38 115.78 2wqt h ARG 14 Ca 0.14 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2wqt h ARG 14 Cb 0.53 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2wqt h ARG 14 CO 0.03 0.69 0.35 -0.09 -1.07 0.00 0.00 179.97 179.87 2wqt h ARG 15 N 0.28 1.12 -0.51 0.04 2.43 -1.06 -1.43 114.38 115.25 2wqt h ARG 15 Ca 0.07 -0.18 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2wqt h ARG 15 Cb 0.48 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 2wqt h ARG 15 CO 0.02 0.89 0.13 0.00 -1.51 0.00 0.00 179.97 179.50 2wqt h ALA 16 N 1.18 0.60 -0.20 2.80 0.00 -1.02 -0.55 119.26 122.06 2wqt h ALA 16 Ca 0.26 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2wqt h ALA 16 Cb 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wqt h ALA 16 CO -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 179.25 178.93 2wqt h ALA 17 N 1.38 0.28 -0.73 0.00 0.00 -1.12 -1.13 119.26 117.93 2wqt h ALA 17 Ca 0.25 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 17 Cb 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2wqt h ALA 17 CO -0.31 0.02 0.48 0.93 0.00 0.00 0.00 179.25 180.37 2wqt h GLU 18 N 0.12 0.69 0.00 0.00 5.08 -0.85 -2.99 114.58 116.62 2wqt h GLU 18 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wqt h GLU 18 Cb 0.43 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2wqt h GLU 18 CO 0.01 0.45 -1.14 1.04 -1.00 0.00 0.00 179.01 178.37 2wqt n GLN 19 N -4.49 0.20 -2.89 2.33 6.02 -0.25 -4.97 117.38 113.34 2wqt n GLN 19 Ca 0.11 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 2wqt n GLN 19 Cb 0.28 -1.53 0.03 0.00 1.02 0.00 0.00 30.24 30.03 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 1.42 -0.49 2.96 1.08 0.00 -0.47 -5.00 105.19 104.70 2wqt n GLY 20 Ca 0.02 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.55 1.88 0.45 1.61 2.02 -0.97 -5.06 118.70 113.08 2wqt s GLU 21 Ca 0.24 -0.62 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 2wqt s GLU 21 Cb -0.11 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 31.91 2wqt s GLU 21 CO 0.30 -0.36 1.11 0.00 0.02 0.00 0.00 175.26 176.33 2wqt s ALA 22 N 1.52 2.98 0.43 5.21 0.00 -1.26 -4.45 121.76 126.18 2wqt s ALA 22 Ca 0.02 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2wqt s ALA 22 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2wqt s ALA 22 CO -0.09 -0.48 0.36 0.96 0.00 0.00 0.00 175.76 176.51 2wqt s ILE 23 N -1.64 2.56 0.55 0.00 -4.36 -0.10 -4.62 121.20 113.58 2wqt s ILE 23 Ca 0.63 -1.39 -0.19 0.00 -0.26 0.00 0.00 60.65 59.44 2wqt s ILE 23 Cb -0.25 -2.94 -0.06 0.00 1.25 0.00 0.00 42.46 40.46 2wqt s ILE 23 CO 0.30 0.00 1.10 0.00 0.24 0.00 0.00 174.94 176.58 2wqt s ALA 24 N -2.51 2.71 0.40 2.27 0.00 -1.26 -0.55 121.76 122.83 2wqt s ALA 24 Ca 0.47 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 2wqt s ALA 24 Cb -0.02 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 2wqt s ALA 24 CO 0.27 -0.73 1.05 -2.30 0.00 0.00 0.00 175.76 174.06 2wqt n PRO 25 N -1.41 1.46 0.03 0.00 -0.02 -1.26 -4.88 135.00 128.91 2wqt n PRO 25 Ca 0.11 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2wqt n PRO 25 Cb 0.52 -2.07 0.34 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.59 0.46 -0.23 2.45 4.32 -1.26 -4.58 117.00 118.74 2wqt n LEU 26 Ca 0.09 0.24 0.02 0.00 -0.02 0.00 0.00 56.01 56.34 2wqt n LEU 26 Cb 0.38 -0.30 0.14 0.00 -1.62 0.00 0.00 43.42 42.02 2wqt n LEU 26 CO 0.58 0.02 1.02 0.08 -1.22 0.00 0.00 177.39 177.87 2wqt h ARG 27 N 0.00 0.47 0.00 3.23 0.11 -1.93 -1.14 114.38 115.13 2wqt h ARG 27 Ca 0.00 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 2wqt h ARG 27 Cb 0.59 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2wqt h ARG 27 CO 0.00 0.31 -0.46 -0.44 0.10 0.00 0.00 179.97 179.48 2wqt h ASP 28 N 0.49 0.00 1.02 0.08 3.32 -1.91 0.27 116.42 119.69 2wqt h ASP 28 Ca 0.35 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.26 2wqt h ASP 28 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2wqt h ASP 28 CO -0.32 0.46 -0.67 -0.07 -1.72 0.00 0.00 179.24 176.92 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 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2wqt h LEU 29 CO 0.06 0.67 -1.26 2.30 -1.08 0.00 0.00 178.44 179.13 2wqt n ILE 30 N -3.44 0.00 0.00 1.22 -5.35 -1.00 -5.10 119.36 105.69 2wqt n ILE 30 Ca 0.00 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2wqt n ILE 30 Cb 0.74 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 1.67 1.67 0.46 3.28 0.00 0.95 -4.55 105.19 108.67 2wqt n GLY 31 Ca -0.01 -1.28 0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 0.46 -1.20 -0.61 2.10 -1.90 -0.85 117.51 115.52 2wqt h ILE 32 Ca 0.00 -0.07 -0.55 0.00 1.08 0.00 0.00 64.86 65.32 2wqt h ILE 32 Cb 0.00 0.23 -0.42 0.00 -1.09 0.00 0.00 36.82 35.54 2wqt h ILE 32 CO 0.00 0.04 -0.80 -0.90 -1.08 0.00 0.00 178.15 175.41 2wqt n ASP 33 N -4.44 4.48 -4.28 2.19 5.75 -1.26 -4.52 116.55 114.46 2wqt n ASP 33 Ca 0.26 -3.61 -0.44 0.00 -0.01 0.00 0.00 54.79 50.98 2wqt n ASP 33 Cb 1.05 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 -0.53 5.52 -0.17 -1.12 2.85 -0.33 -4.85 115.26 116.62 2wqt n ASN 34 Ca 0.38 -3.08 -0.07 0.00 -0.11 0.00 0.00 54.58 51.69 2wqt n ASN 34 Cb 0.78 -1.44 0.02 0.00 1.24 0.00 0.00 39.78 40.38 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 6.52 0.65 -0.85 5.20 0.00 -1.90 -2.77 119.26 126.11 2wqt h ALA 35 Ca 0.25 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2wqt h ALA 35 Cb 0.81 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2wqt h ALA 35 CO 1.21 0.16 0.46 1.49 0.00 0.00 0.00 179.25 182.57 2wqt h GLU 36 N 0.68 0.68 -0.25 0.00 4.81 -2.00 -1.59 114.58 116.91 2wqt h GLU 36 Ca 0.18 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 2wqt h GLU 36 Cb 0.03 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2wqt h GLU 36 CO -0.03 0.45 -0.24 0.00 -0.73 0.00 0.00 179.01 178.47 2wqt h ALA 37 N 1.52 0.37 -0.54 2.92 0.00 -1.91 -1.76 119.26 119.86 2wqt h ALA 37 Ca 0.44 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 37 Cb 0.54 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2wqt h ALA 37 CO -0.31 0.34 0.28 0.00 0.00 0.00 0.00 179.25 179.55 2wqt h ALA 38 N 0.68 0.69 -0.20 0.00 0.00 -1.15 -0.48 119.26 118.82 2wqt h ALA 38 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2wqt h ALA 38 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2wqt h ALA 38 CO 0.06 -0.06 -0.20 1.88 0.00 0.00 0.00 179.25 180.93 2wqt h TYR 39 N 0.54 0.37 -0.63 0.00 -1.99 -1.28 -2.19 116.97 111.79 2wqt h TYR 39 Ca 0.23 -0.06 -0.08 0.00 2.00 0.00 0.00 58.73 60.82 2wqt h TYR 39 Cb 0.13 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 2wqt h TYR 39 CO -0.10 0.53 0.07 0.00 -0.00 0.00 0.00 178.16 178.66 2wqt h ALA 40 N 1.48 0.84 -0.22 3.88 0.00 -0.38 -0.40 119.26 124.47 2wqt h ALA 40 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2wqt h ALA 40 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2wqt h ALA 40 CO 0.04 0.64 0.11 0.82 0.00 0.00 0.00 179.25 180.85 2wqt h ILE 41 N 0.98 1.13 -0.58 0.00 2.04 -0.85 0.48 117.51 120.72 2wqt h ILE 41 Ca 0.19 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2wqt h ILE 41 Cb 0.48 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 2wqt h ILE 41 CO 0.02 0.13 0.25 -0.61 0.00 0.00 0.00 178.15 177.93 2wqt h GLN 42 N 0.23 0.45 -0.49 2.37 4.15 -1.27 -2.47 115.11 118.07 2wqt h GLN 42 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2wqt h GLN 42 Cb 0.10 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2wqt h GLN 42 CO -0.01 0.30 0.23 1.25 -1.93 0.00 0.00 178.83 178.67 2wqt h HIS 43 N 0.46 0.71 -0.44 3.99 2.76 -0.73 -0.41 115.15 121.49 2wqt h HIS 43 Ca 0.28 -0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2wqt h HIS 43 Cb 0.28 -0.22 -0.08 0.00 1.55 0.00 0.00 27.41 28.94 2wqt h HIS 43 CO -0.14 0.57 -0.08 0.82 -1.30 0.00 0.00 177.93 177.80 2wqt h ILE 44 N 0.65 0.59 -0.13 6.26 1.08 -0.57 -0.04 117.51 125.35 2wqt h ILE 44 Ca 0.17 -0.01 -0.15 0.00 -0.39 0.00 0.00 64.86 64.48 2wqt h ILE 44 Cb 0.13 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2wqt h ILE 44 CO -0.02 0.00 -0.55 0.78 -0.69 0.00 0.00 178.15 177.67 2wqt h ASN 45 N 0.03 0.41 -0.23 1.72 2.35 -1.00 -0.31 115.58 118.55 2wqt h ASN 45 Ca 0.21 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2wqt h ASN 45 Cb 0.32 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2wqt h ASN 45 CO -0.43 0.88 0.04 0.58 -1.65 0.00 0.00 177.43 176.85 2wqt h VAL 46 N 0.29 1.23 -0.96 2.81 2.07 -0.80 -2.39 116.25 118.49 2wqt h VAL 46 Ca 0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2wqt h VAL 46 Cb 1.06 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 2wqt h VAL 46 CO 0.09 0.24 0.60 -0.61 0.02 0.00 0.00 177.57 177.92 2wqt h GLN 47 N 0.18 1.28 -0.23 1.57 5.75 -0.74 -0.09 115.11 122.82 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 0.32 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2wqt h GLN 47 CO 0.00 0.87 0.11 1.25 -2.65 0.00 0.00 178.83 178.42 2wqt h HIS 48 N 1.31 0.33 -0.43 3.99 2.76 -1.02 -2.31 115.15 119.78 2wqt h HIS 48 Ca 0.35 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.39 2wqt h HIS 48 Cb -0.10 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2wqt h HIS 48 CO 0.00 0.32 -0.17 -0.44 -1.30 0.00 0.00 177.93 176.35 2wqt h ASP 49 N 0.25 0.83 -0.93 3.26 3.32 -0.93 -2.87 116.42 119.34 2wqt h ASP 49 Ca 0.08 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2wqt h ASP 49 Cb 0.11 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2wqt h ASP 49 CO -0.01 0.99 0.54 0.58 -1.72 0.00 0.00 179.24 179.62 2wqt h VAL 50 N 0.73 1.26 0.00 -1.35 2.07 -0.92 -1.54 116.25 116.50 2wqt h VAL 50 Ca 0.11 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2wqt h VAL 50 Cb 0.68 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wqt h VAL 50 CO 0.05 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.90 2wqt h ALA 51 N 1.30 1.22 -0.58 1.67 0.00 -1.19 0.11 119.26 121.79 2wqt h ALA 51 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2wqt h ALA 51 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wqt h ALA 51 CO -0.06 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.25 2wqt n GLN 52 N -3.42 2.64 -0.52 0.00 6.02 -0.65 -4.94 117.38 116.52 2wqt n GLN 52 Ca -0.03 -2.20 0.00 0.00 -0.01 0.00 0.00 57.00 54.76 2wqt n GLN 52 Cb 0.11 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.81 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 1.31 0.75 3.74 1.08 0.00 0.39 -5.04 105.19 107.41 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 -0.48 4.37 -0.30 1.61 3.52 -0.80 -4.99 118.95 121.88 2wqt s ARG 54 Ca 0.00 2.11 -0.10 0.00 -0.13 0.00 0.00 55.73 57.61 2wqt s ARG 54 Cb 0.00 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 2wqt s ARG 54 CO 0.00 -0.25 0.16 0.50 -0.81 0.00 0.00 175.30 174.90 2wqt s ARG 55 N -0.45 3.57 0.11 5.12 3.52 -1.26 -4.28 118.95 125.29 2wqt s ARG 55 Ca 0.55 -0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 55.28 2wqt s ARG 55 Cb -0.38 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.35 2wqt s ARG 55 CO 0.41 -0.32 1.42 0.08 -0.81 0.00 0.00 175.30 176.08 2wqt s VAL 56 N 1.67 3.24 -0.08 7.11 1.01 -1.26 -1.04 120.40 131.05 2wqt s VAL 56 Ca 0.06 0.87 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2wqt s VAL 56 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2wqt s VAL 56 CO 0.08 0.06 0.08 1.33 0.00 0.00 0.00 175.10 176.65 2wqt n VAL 57 N 4.03 0.00 -3.18 2.92 0.24 -0.09 -4.86 118.33 117.39 2wqt n VAL 57 Ca 0.12 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2wqt n VAL 57 Cb 0.42 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 2wqt n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wqt n GLY 58 N 1.37 -0.53 3.27 7.63 0.00 -1.22 -1.11 105.19 114.61 2wqt n GLY 58 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.28 1.15 -0.05 1.61 1.81 -0.82 -1.42 118.95 119.95 2wqt s ARG 59 Ca 0.00 -1.54 0.06 0.00 -1.72 0.00 0.00 55.73 52.53 2wqt s ARG 59 Cb 0.00 -0.51 -0.02 0.00 -0.45 0.00 0.00 34.95 33.97 2wqt s ARG 59 CO 0.00 -0.03 -0.21 0.21 -0.68 0.00 0.00 175.30 174.58 2wqt s LYS 60 N -3.83 2.44 -0.20 3.54 2.36 0.06 -1.60 119.74 122.53 2wqt s LYS 60 Ca 0.22 -0.83 -0.10 0.00 -2.55 0.00 0.00 55.97 52.71 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 0.04 0.51 0.12 0.08 1.55 0.00 0.00 175.35 177.65 2wqt s VAL 61 N -0.45 5.36 0.41 4.02 1.01 0.80 -1.13 120.40 130.41 2wqt s VAL 61 Ca 0.05 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2wqt s VAL 61 Cb -0.12 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2wqt s VAL 61 CO 0.01 0.45 0.04 -0.83 0.00 0.00 0.00 175.10 174.77 2wqt s GLY 62 N 0.31 2.51 -1.17 4.51 0.00 -0.29 -3.47 107.32 109.73 2wqt s GLY 62 Ca 0.08 -1.72 -0.14 0.00 0.00 0.00 0.00 44.72 42.94 2wqt s GLY 62 CO -0.02 -2.01 0.77 1.04 0.00 0.00 0.00 173.10 172.89 2wqt n LEU 63 N -0.94 -3.26 0.00 0.66 4.77 -1.26 -1.36 117.00 115.60 2wqt n LEU 63 Ca -0.07 -0.94 0.11 0.00 -0.03 0.00 0.00 56.01 55.07 2wqt n LEU 63 Cb 0.67 -2.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.19 2wqt n LEU 63 CO 0.43 0.40 0.06 0.35 -1.33 0.00 0.00 177.39 177.31 2wqt n THR 64 N -4.07 0.01 -3.12 -5.08 -2.24 -1.26 -4.15 114.28 94.37 2wqt n THR 64 Ca -0.13 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 2wqt n THR 64 Cb 0.61 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 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 -3.01 3.33 0.64 4.78 3.76 -1.26 -1.95 115.29 121.58 2wqt s HIS 65 Ca 0.08 0.86 0.40 0.00 -0.15 0.00 0.00 55.06 56.25 2wqt s HIS 65 Cb 0.16 -2.81 2.23 0.00 1.11 0.00 0.00 32.58 33.27 2wqt s HIS 65 CO 0.83 -0.25 2.33 -1.35 -0.85 0.00 0.00 174.74 175.45 2wqt h PRO 66 N 7.69 0.00 0.92 8.40 0.11 -1.89 -1.53 132.00 145.70 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 1.13 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 -0.44 0.87 -0.21 0.00 0.00 178.00 178.99 2wqt h LYS 67 N 0.00 -1.19 -0.57 1.05 1.57 -1.98 -2.60 116.57 112.85 2wqt h LYS 67 Ca 0.00 0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2wqt h LYS 67 Cb 0.02 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2wqt h LYS 67 CO -0.00 -0.79 0.38 0.28 -0.57 0.00 0.00 179.45 178.75 2wqt h VAL 68 N -1.30 0.94 -0.09 0.50 2.07 -1.75 -1.89 116.25 114.74 2wqt h VAL 68 Ca -0.13 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2wqt h VAL 68 Cb 0.95 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wqt h VAL 68 CO 0.21 0.08 0.05 1.56 0.02 0.00 0.00 177.57 179.49 2wqt h GLN 69 N 0.46 0.12 0.09 1.57 4.20 -1.33 -2.97 115.11 117.26 2wqt h GLN 69 Ca 0.26 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2wqt h GLN 69 Cb 0.41 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2wqt h GLN 69 CO -0.07 0.17 -0.04 1.96 -0.67 0.00 0.00 178.83 180.17 2wqt h GLN 70 N 0.04 -0.11 0.00 1.46 1.08 -1.04 -0.76 115.11 115.78 2wqt h GLN 70 Ca 0.03 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2wqt h GLN 70 Cb 0.08 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2wqt h GLN 70 CO -0.00 0.10 0.03 0.94 -0.95 0.00 0.00 178.83 178.95 2wqt n GLN 71 N -5.05 0.00 0.00 1.46 7.27 -0.75 -1.15 117.38 119.15 2wqt n GLN 71 Ca -0.08 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.12 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 -1.06 0.69 0.00 1.69 4.32 -1.03 -5.04 117.00 116.57 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 -0.11 0.69 3.33 -0.72 0.00 -0.30 -4.24 105.19 103.84 2wqt n GLY 73 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 0.84 0.00 1.61 -7.23 -0.34 -5.01 120.40 108.27 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 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2wqt s VAL 74 CO 0.00 -0.17 0.90 -0.90 -0.31 0.00 0.00 175.10 174.62 2wqt n ASP 75 N -0.46 1.69 -4.70 4.85 5.68 -1.26 -3.64 116.55 118.70 2wqt n ASP 75 Ca -0.03 -1.80 -0.30 0.00 -0.50 0.00 0.00 54.79 52.15 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 -0.80 2.63 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.68 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 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 2wqt s GLN 76 CO 0.00 0.55 0.00 -0.35 -0.25 0.00 0.00 175.29 175.24 2wqt n PRO 77 N 0.58 2.07 -3.85 2.91 -0.04 -1.26 -4.95 135.00 130.47 2wqt n PRO 77 Ca -0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 2wqt n PRO 77 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.05 3.54 3.68 -0.47 -4.97 116.67 117.47 2wqt s ASP 78 Ca 0.00 -0.05 0.04 0.00 2.13 0.00 0.00 52.55 54.67 2wqt s ASP 78 Cb 0.00 0.25 -0.02 0.00 -1.45 0.00 0.00 42.92 41.69 2wqt s ASP 78 CO 0.00 -0.28 -0.11 0.72 0.13 0.00 0.00 175.17 175.63 2wqt s PHE 79 N -0.96 0.93 0.25 -5.34 -0.71 -1.26 -1.13 117.98 109.75 2wqt s PHE 79 Ca -0.10 -0.43 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 2wqt s PHE 79 Cb -0.06 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.16 2wqt s PHE 79 CO 0.01 -0.01 0.02 0.20 -1.34 0.00 0.00 175.22 174.10 2wqt s GLY 80 N -1.46 1.66 -0.13 1.99 0.00 -0.29 -4.39 107.32 104.71 2wqt s GLY 80 Ca -0.05 -1.83 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 2wqt s GLY 80 CO 0.01 -1.68 0.03 -1.59 0.00 0.00 0.00 173.10 169.87 2wqt s THR 81 N -3.44 4.50 -0.12 0.90 2.01 -1.26 -0.76 115.64 117.48 2wqt s THR 81 Ca 0.31 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2wqt s THR 81 Cb 0.06 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2wqt s THR 81 CO 0.10 0.55 0.03 -0.76 -0.69 0.00 0.00 174.62 173.85 2wqt s LEU 82 N -0.34 3.69 0.11 4.42 1.43 -0.51 -4.90 118.68 122.59 2wqt s LEU 82 Ca 0.08 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2wqt s LEU 82 Cb -0.12 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2wqt s LEU 82 CO 0.02 0.32 -0.11 -0.36 0.23 0.00 0.00 176.35 176.45 2wqt s PHE 83 N -0.52 2.71 0.27 0.29 0.08 -1.26 -0.91 117.98 118.64 2wqt s PHE 83 Ca 0.09 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 56.98 2wqt s PHE 83 Cb -0.12 -1.41 0.61 0.00 -0.57 0.00 0.00 43.02 41.53 2wqt s PHE 83 CO 0.02 0.42 1.72 0.00 -0.10 0.00 0.00 175.22 177.29 2wqt h ALA 84 N 3.59 1.30 0.00 5.36 0.00 -1.42 0.13 119.26 128.22 2wqt h ALA 84 Ca -0.49 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wqt h ALA 84 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wqt h ALA 84 CO 0.51 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 2wqt n ASP 85 N -4.99 0.00 0.00 0.00 5.75 -1.26 -1.96 116.55 114.09 2wqt n ASP 85 Ca 0.19 0.35 0.14 0.00 -0.01 0.00 0.00 54.79 55.46 2wqt n ASP 85 Cb 0.54 -0.42 0.56 0.00 -1.03 0.00 0.00 41.12 40.77 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 -1.42 0.00 -3.21 0.11 2.81 0.44 -4.85 117.12 111.01 2wqt n MET 86 Ca 0.04 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 2wqt n MET 86 Cb 0.13 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.06 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 2.43 3.42 0.68 0.00 2.02 0.54 -4.99 117.35 121.44 2wqt s TYR 88 Ca 0.21 0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 57.13 2wqt s TYR 88 Cb -0.15 -1.83 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2wqt s TYR 88 CO 0.12 0.62 1.06 0.20 -1.57 0.00 0.00 175.55 175.97 2wqt s GLY 89 N -1.42 1.65 0.22 0.71 0.00 -1.26 -1.87 107.32 105.36 2wqt s GLY 89 Ca 0.20 -0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.52 2wqt s GLY 89 CO 0.10 0.23 1.33 1.34 0.00 0.00 0.00 173.10 176.10 2wqt n ASP 90 N -2.98 2.36 -2.56 1.64 4.64 -0.48 -2.67 116.55 116.49 2wqt n ASP 90 Ca 0.07 1.14 -0.19 0.00 -1.38 0.00 0.00 54.79 54.43 2wqt n ASP 90 Cb 0.55 -1.37 0.03 0.00 -1.04 0.00 0.00 41.12 39.29 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 2.08 -5.42 -4.89 1.67 4.05 0.81 -4.96 115.26 108.59 2wqt n ASN 91 Ca 0.12 -0.24 -0.21 0.00 0.45 0.00 0.00 54.58 54.70 2wqt n ASN 91 Cb 0.30 -4.25 0.06 0.00 1.23 0.00 0.00 39.78 37.12 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 -5.51 2.24 -0.23 1.20 2.12 -1.09 -4.89 118.70 112.54 2wqt s GLU 92 Ca 0.26 -1.17 -0.09 0.00 0.36 0.00 0.00 54.97 54.33 2wqt s GLU 92 Cb -0.11 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 2wqt s GLU 92 CO 0.32 -0.93 0.10 0.42 -0.54 0.00 0.00 175.26 174.63 2wqt s ILE 93 N -2.80 4.81 -0.21 -3.70 1.01 -1.26 -2.29 121.20 116.76 2wqt s ILE 93 Ca 0.61 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.14 2wqt s ILE 93 Cb -0.07 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2wqt s ILE 93 CO 0.40 0.36 0.17 -0.63 0.00 0.00 0.00 174.94 175.24 2wqt s ILE 94 N 1.16 5.37 0.14 2.92 1.01 0.81 -4.94 121.20 127.68 2wqt s ILE 94 Ca 0.05 0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 2wqt s ILE 94 Cb -0.14 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 2wqt s ILE 94 CO 0.04 0.40 1.81 -2.84 0.00 0.00 0.00 174.94 174.35 2wqt s PRO 95 N 0.61 4.13 0.42 2.79 0.02 -1.26 -1.21 135.00 140.50 2wqt s PRO 95 Ca 0.09 2.60 0.10 0.00 0.02 0.00 0.00 61.00 63.82 2wqt s PRO 95 Cb -0.12 -3.47 0.95 0.00 0.02 0.00 0.00 34.50 31.87 2wqt s PRO 95 CO 0.01 -0.82 2.02 0.35 -0.33 0.00 0.00 177.00 178.23 2wqt h PHE 96 N 8.18 0.47 0.00 6.54 3.57 -1.90 -1.81 116.94 131.99 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 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2wqt h PHE 96 CO 0.76 0.26 0.00 -1.13 -2.23 0.00 0.00 178.31 175.97 2wqt n SER 97 N -4.48 0.64 -0.17 0.41 3.41 -1.26 -3.87 113.62 108.30 2wqt n SER 97 Ca 0.06 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.24 2wqt n SER 97 Cb 0.21 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.43 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 0.59 -5.16 4.33 9.65 -1.70 -3.42 114.38 118.67 2wqt h ARG 98 Ca 0.00 -0.04 -0.65 0.00 -1.10 0.00 0.00 59.98 58.19 2wqt h ARG 98 Cb 0.48 -0.13 -0.26 0.00 -1.39 0.00 0.00 29.97 28.67 2wqt h ARG 98 CO 0.00 0.39 -0.72 0.08 2.80 0.00 0.00 179.97 182.51 2wqt s VAL 99 N -6.14 3.39 -0.15 0.20 1.01 -1.25 -5.05 120.40 112.41 2wqt s VAL 99 Ca -0.13 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 2wqt s VAL 99 Cb 0.13 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2wqt s VAL 99 CO 0.74 0.47 1.12 -0.22 0.00 0.00 0.00 175.10 177.20 2wqt s LEU 100 N 0.91 4.19 -1.05 3.92 2.96 -1.26 -3.88 118.68 124.47 2wqt s LEU 100 Ca -0.01 1.58 -0.11 0.00 -0.22 0.00 0.00 54.13 55.36 2wqt s LEU 100 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2wqt s LEU 100 CO 0.01 -0.62 0.85 0.00 -1.32 0.00 0.00 176.35 175.27 2wqt n GLN 101 N 5.83 -1.77 -2.67 1.98 6.02 -1.26 -1.25 117.38 124.27 2wqt n GLN 101 Ca 0.11 0.76 -0.36 0.00 -0.01 0.00 0.00 57.00 57.50 2wqt n GLN 101 Cb 0.46 -5.11 -0.05 0.00 1.02 0.00 0.00 30.24 26.56 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 -4.89 4.34 0.01 -1.09 0.04 -1.25 -4.07 135.00 128.09 2wqt s PRO 102 Ca 0.42 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.87 2wqt s PRO 102 Cb -0.10 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 2wqt s PRO 102 CO 0.79 0.04 -0.04 1.03 0.04 0.00 0.00 177.00 178.86 2wqt s ARG 103 N -2.40 0.28 0.07 4.56 3.00 -0.27 -1.82 118.95 122.37 2wqt s ARG 103 Ca 0.55 -0.31 0.05 0.00 0.00 0.00 0.00 55.73 56.02 2wqt s ARG 103 Cb -0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 34.95 34.57 2wqt s ARG 103 CO 0.24 0.03 -0.03 0.96 0.00 0.00 0.00 175.30 176.50 2wqt s ILE 104 N -0.58 3.83 0.04 1.52 -5.25 -0.73 0.44 121.20 120.47 2wqt s ILE 104 Ca -0.04 -0.98 0.01 0.00 -0.99 0.00 0.00 60.65 58.64 2wqt s ILE 104 Cb -0.04 -2.78 -0.03 0.00 2.95 0.00 0.00 42.46 42.55 2wqt s ILE 104 CO -0.00 0.18 -0.05 -1.83 -1.79 0.00 0.00 174.94 171.45 2wqt s GLU 105 N -2.08 0.50 0.01 0.37 -1.05 -0.39 -1.77 118.70 114.29 2wqt s GLU 105 Ca 0.23 -0.88 -0.17 0.00 -0.15 0.00 0.00 54.97 54.00 2wqt s GLU 105 Cb -0.11 -0.01 -0.06 0.00 -0.44 0.00 0.00 34.13 33.50 2wqt s GLU 105 CO 0.15 -0.03 0.47 0.00 0.95 0.00 0.00 175.26 176.80 2wqt s ALA 106 N -2.28 3.64 0.11 -0.84 0.00 -1.26 -0.56 121.76 120.56 2wqt s ALA 106 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 2wqt s ALA 106 Cb -0.04 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2wqt s ALA 106 CO -0.03 0.40 0.10 -1.21 0.00 0.00 0.00 175.76 175.02 2wqt s GLU 107 N -0.91 0.86 -0.22 0.00 2.02 0.12 -1.05 118.70 119.52 2wqt s GLU 107 Ca 0.26 -1.24 -0.09 0.00 0.02 0.00 0.00 54.97 53.92 2wqt s GLU 107 Cb -0.18 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 2wqt s GLU 107 CO 0.15 -0.25 0.11 0.42 0.02 0.00 0.00 175.26 175.71 2wqt s ILE 108 N -3.96 5.03 -0.09 -1.63 1.01 -1.26 -0.95 121.20 119.35 2wqt s ILE 108 Ca 0.14 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 2wqt s ILE 108 Cb 0.06 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2wqt s ILE 108 CO -0.04 0.40 0.10 0.00 0.00 0.00 0.00 174.94 175.39 2wqt s ALA 109 N 0.80 3.70 0.02 9.38 0.00 0.56 -1.92 121.76 134.31 2wqt s ALA 109 Ca 0.06 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2wqt s ALA 109 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2wqt s ALA 109 CO 0.02 0.63 -0.25 -0.51 0.00 0.00 0.00 175.76 175.64 2wqt s LEU 110 N -1.11 2.17 -0.04 0.00 1.43 -0.09 -1.07 118.68 119.95 2wqt s LEU 110 Ca 0.16 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 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 0.05 0.29 -0.19 -0.69 0.23 0.00 0.00 176.35 176.03 2wqt s VAL 111 N -0.73 2.60 -0.07 -1.59 1.01 -0.41 -0.33 120.40 120.88 2wqt s VAL 111 Ca 0.11 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2wqt s VAL 111 Cb -0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2wqt s VAL 111 CO 0.01 0.58 0.17 -0.76 0.00 0.00 0.00 175.10 175.11 2wqt s LEU 112 N -0.59 4.39 0.34 3.92 1.43 -0.98 0.47 118.68 127.65 2wqt s LEU 112 Ca 0.09 0.47 0.17 0.00 -1.03 0.00 0.00 54.13 53.83 2wqt s LEU 112 Cb -0.11 -2.29 0.47 0.00 0.03 0.00 0.00 46.19 44.30 2wqt s LEU 112 CO 0.00 0.35 1.63 0.78 0.23 0.00 0.00 176.35 179.35 2wqt h ASN 113 N 4.57 0.00 -5.14 2.29 4.21 -1.10 -1.07 115.58 119.35 2wqt h ASN 113 Ca -0.53 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 56.94 2wqt h ASN 113 Cb 1.22 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 38.31 2wqt h ASN 113 CO 0.62 0.44 -0.07 0.00 -1.29 0.00 0.00 177.43 177.13 2wqt s ARG 114 N -3.39 1.32 0.58 0.81 3.03 -1.26 -4.68 118.95 115.36 2wqt s ARG 114 Ca 0.01 -0.96 -0.19 0.00 2.03 0.00 0.00 55.73 56.62 2wqt s ARG 114 Cb 0.10 0.48 -0.04 0.00 -1.03 0.00 0.00 34.95 34.46 2wqt s ARG 114 CO 0.71 -0.54 1.23 -0.51 -1.13 0.00 0.00 175.30 175.06 2wqt s ASP 115 N -2.90 5.22 -0.64 -2.89 1.01 -1.26 -3.49 116.67 111.72 2wqt s ASP 115 Ca 0.12 2.45 0.05 0.00 0.71 0.00 0.00 52.55 55.88 2wqt s ASP 115 Cb 0.00 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.50 2wqt s ASP 115 CO -0.02 -1.57 0.48 0.18 0.21 0.00 0.00 175.17 174.45 2wqt n LEU 116 N -1.46 2.29 0.17 1.23 4.77 -0.43 -4.91 117.00 118.67 2wqt n LEU 116 Ca 0.13 -5.04 0.06 0.00 -0.03 0.00 0.00 56.01 51.12 2wqt n LEU 116 Cb 0.49 -0.46 0.15 0.00 -2.33 0.00 0.00 43.42 41.27 2wqt n LEU 116 CO 0.46 1.80 0.60 1.55 -1.33 0.00 0.00 177.39 180.47 2wqt h PRO 117 N 5.35 0.00 -6.29 3.23 0.13 -1.94 -3.37 132.00 129.12 2wqt h PRO 117 Ca 0.18 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.36 0.77 0.00 -0.23 0.00 0.00 178.00 179.55 2wqt s ALA 118 N -3.16 3.55 -1.41 -0.56 0.00 -1.26 -4.82 121.76 114.08 2wqt s ALA 118 Ca 0.04 0.63 0.25 0.00 0.00 0.00 0.00 51.96 52.88 2wqt s ALA 118 Cb 0.08 -3.55 1.27 0.00 0.00 0.00 0.00 23.12 20.91 2wqt s ALA 118 CO 0.71 -0.88 1.85 0.25 0.00 0.00 0.00 175.76 177.68 2wqt n THR 119 N 4.80 0.19 -1.75 0.00 -2.24 -1.26 -3.01 114.28 111.01 2wqt n THR 119 Ca 0.12 0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.98 2wqt n THR 119 Cb 0.45 -0.63 0.17 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 -1.29 1.86 -4.67 3.42 3.85 -1.26 -4.77 116.55 113.69 2wqt n ASP 120 Ca 0.12 -3.65 -0.43 0.00 -0.71 0.00 0.00 54.79 50.11 2wqt n ASP 120 Cb 0.20 -0.49 -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 -0.89 1.82 -3.98 2.12 3.06 -1.16 -4.99 119.36 115.34 2wqt n ILE 121 Ca 0.19 -0.46 -0.21 0.00 -2.50 0.00 0.00 62.75 59.78 2wqt n ILE 121 Cb 0.77 -1.42 -0.02 0.00 0.54 0.00 0.00 39.64 39.50 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 -0.91 5.05 0.25 9.51 -4.23 -1.26 -4.98 115.64 119.06 2wqt s THR 122 Ca 0.58 -1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2wqt s THR 122 Cb -0.61 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 69.74 2wqt s THR 122 CO 0.60 -0.33 1.64 0.15 -0.54 0.00 0.00 174.62 176.14 2wqt h PHE 123 N 1.22 0.03 -0.08 3.99 3.57 -1.94 -1.03 116.94 122.70 2wqt h PHE 123 Ca -0.51 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 60.93 2wqt h PHE 123 Cb 1.23 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2wqt h PHE 123 CO 0.47 -0.21 -0.43 0.38 -2.23 0.00 0.00 178.31 176.28 2wqt h ASP 124 N 0.13 0.20 0.22 0.41 2.03 -2.00 -2.74 116.42 114.68 2wqt h ASP 124 Ca 0.42 -0.09 -0.15 0.00 -0.73 0.00 0.00 57.03 56.49 2wqt h ASP 124 Cb 0.75 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.18 2wqt h ASP 124 CO -0.64 0.62 -0.56 -0.33 -1.03 0.00 0.00 179.24 177.30 2wqt h GLU 125 N 0.16 0.36 -0.59 4.15 5.08 -1.62 -2.91 114.58 119.21 2wqt h GLU 125 Ca 0.01 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 2wqt h GLU 125 Cb 0.83 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2wqt h GLU 125 CO 0.06 0.82 0.05 1.25 -1.00 0.00 0.00 179.01 180.20 2wqt h LEU 126 N 0.27 0.94 -0.69 1.33 5.85 -1.11 -2.86 115.31 119.05 2wqt h LEU 126 Ca 0.00 -0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.64 2wqt h LEU 126 Cb 1.07 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 2wqt h LEU 126 CO 0.09 0.97 0.14 1.88 -0.34 0.00 0.00 178.44 181.18 2wqt h TYR 127 N 0.91 0.20 0.00 1.25 0.05 -1.28 0.11 116.97 118.21 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 0.46 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.22 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 0.35 -0.37 3.88 2.85 -1.08 -2.68 115.26 113.03 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 0.42 -0.67 0.09 0.00 1.24 0.00 0.00 39.78 40.87 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 3.55 -2.67 5.20 0.00 0.35 -4.89 120.51 120.41 2wqt n ALA 129 Ca 0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 2wqt n ALA 129 Cb 0.17 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.55 4.89 -0.19 0.00 1.01 -1.09 -0.52 121.20 122.74 2wqt s ILE 130 Ca 0.19 1.61 -0.19 0.00 0.00 0.00 0.00 60.65 62.26 2wqt s ILE 130 Cb 0.18 -4.13 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 2wqt s ILE 130 CO 0.59 0.03 0.16 -0.08 0.00 0.00 0.00 174.94 175.64 2wqt h GLU 131 N 7.34 0.00 -4.68 2.79 4.81 -0.26 -3.44 114.58 121.14 2wqt h GLU 131 Ca -0.29 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.59 2wqt h GLU 131 Cb 1.13 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.26 2wqt h GLU 131 CO 0.83 0.79 -0.76 -1.58 -0.73 0.00 0.00 179.01 177.56 2wqt s TRP 132 N -2.32 0.75 -0.12 0.92 0.52 -1.09 -4.57 118.94 113.04 2wqt s TRP 132 Ca -0.25 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 55.59 2wqt s TRP 132 Cb 0.05 -0.46 -0.00 0.00 -1.15 0.00 0.00 33.47 31.91 2wqt s TRP 132 CO 0.51 -0.03 -0.21 0.54 0.02 0.00 0.00 176.95 177.79 2wqt s VAL 133 N -0.75 2.29 0.04 4.03 0.11 0.23 -1.29 120.40 125.06 2wqt s VAL 133 Ca -0.02 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2wqt s VAL 133 Cb -0.06 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 2wqt s VAL 133 CO 0.00 0.55 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.80 2wqt s LEU 134 N 0.46 2.33 0.32 2.54 2.34 -0.24 -1.83 118.68 124.62 2wqt s LEU 134 Ca -0.14 -0.69 -0.27 0.00 0.06 0.00 0.00 54.13 53.09 2wqt s LEU 134 Cb -0.17 0.08 -0.09 0.00 -0.56 0.00 0.00 46.19 45.44 2wqt s LEU 134 CO 0.06 -0.38 1.01 -2.16 -1.06 0.00 0.00 176.35 173.81 2wqt s PRO 135 N -2.35 4.52 0.05 1.48 0.04 -1.26 -0.32 135.00 137.16 2wqt s PRO 135 Ca -0.07 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 2wqt s PRO 135 Cb -0.04 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2wqt s PRO 135 CO -0.04 0.18 -0.04 0.00 0.04 0.00 0.00 177.00 177.15 2wqt s ALA 136 N -1.46 0.48 -0.08 8.56 0.00 -0.12 -0.85 121.76 128.28 2wqt s ALA 136 Ca 0.50 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2wqt s ALA 136 Cb -0.24 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2wqt s ALA 136 CO 0.30 -0.29 -0.12 -0.51 0.00 0.00 0.00 175.76 175.14 2wqt s LEU 137 N -2.53 2.84 -0.21 0.00 1.43 -0.04 -0.70 118.68 119.47 2wqt s LEU 137 Ca 0.01 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2wqt s LEU 137 Cb 0.03 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2wqt s LEU 137 CO -0.07 0.30 -0.04 -0.70 0.23 0.00 0.00 176.35 176.07 2wqt s GLU 138 N -0.45 3.43 -0.66 1.70 2.12 0.28 -0.74 118.70 124.38 2wqt s GLU 138 Ca 0.06 -0.61 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 2wqt s GLU 138 Cb -0.12 -2.98 0.11 0.00 0.26 0.00 0.00 34.13 31.40 2wqt s GLU 138 CO 0.02 -0.11 0.80 0.08 -0.54 0.00 0.00 175.26 175.51 2wqt s VAL 139 N 1.25 4.80 0.49 3.70 1.01 -0.02 -1.26 120.40 130.36 2wqt s VAL 139 Ca 0.03 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 2wqt s VAL 139 Cb -0.14 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 2wqt s VAL 139 CO -0.01 -1.22 0.96 0.68 0.00 0.00 0.00 175.10 175.51 2wqt s VAL 140 N 2.70 4.55 0.07 2.92 -7.23 0.17 -1.64 120.40 121.93 2wqt s VAL 140 Ca 0.16 1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 61.48 2wqt s VAL 140 Cb -0.20 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 2wqt s VAL 140 CO 0.04 -0.63 0.05 -0.83 -0.31 0.00 0.00 175.10 173.41 2wqt s GLY 141 N -2.99 0.38 -0.08 2.32 0.00 -0.31 -1.12 107.32 105.52 2wqt s GLY 141 Ca 0.58 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 44.30 2wqt s GLY 141 CO 0.29 -1.15 -0.16 -0.45 0.00 0.00 0.00 173.10 171.64 2wqt s SER 142 N -2.91 2.26 0.00 1.64 0.15 -0.38 -4.24 113.70 110.22 2wqt s SER 142 Ca 0.08 -0.39 0.29 0.00 0.70 0.00 0.00 55.95 56.62 2wqt s SER 142 Cb 0.07 -1.03 1.37 0.00 -1.71 0.00 0.00 66.02 64.72 2wqt s SER 142 CO -0.09 0.06 1.92 0.54 1.20 0.00 0.00 173.24 176.87 2wqt n ARG 143 N 3.83 1.39 -4.19 5.44 3.00 -1.26 -4.53 116.66 120.34 2wqt n ARG 143 Ca -0.21 -0.57 -0.34 0.00 -0.01 0.00 0.00 57.85 56.72 2wqt n ARG 143 Cb 0.52 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.40 2wqt n ARG 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2wqt s ILE 144 N -1.99 4.44 -0.14 0.55 1.01 -1.26 -0.92 121.20 122.89 2wqt s ILE 144 Ca 0.41 -0.17 -0.33 0.00 0.00 0.00 0.00 60.65 60.57 2wqt s ILE 144 Cb 0.21 -2.96 -0.15 0.00 0.01 0.00 0.00 42.46 39.57 2wqt s ILE 144 CO 0.34 0.50 0.97 -1.14 0.00 0.00 0.00 174.94 175.62 2wqt n ARG 145 N 3.22 0.00 -2.88 2.79 0.63 0.29 -2.83 116.66 117.88 2wqt n ARG 145 Ca -0.17 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.59 2wqt n ARG 145 Cb 0.53 -1.15 -0.00 0.00 0.45 0.00 0.00 32.46 32.28 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 1.86 -3.72 -2.05 6.15 8.00 -1.26 -1.01 116.55 124.52 2wqt n ASP 146 Ca 0.18 -0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 2wqt n ASP 146 Cb 0.02 -3.13 -0.02 0.00 -0.02 0.00 0.00 41.12 37.98 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 -3.62 -1.11 -2.48 1.24 7.02 -1.13 -4.85 117.44 112.51 2wqt n TRP 147 Ca -0.08 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.00 2wqt n TRP 147 Cb 0.57 -2.51 -0.02 0.00 -2.42 0.00 0.00 31.31 26.93 2wqt n TRP 147 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wqt s SER 148 N -2.00 6.44 -0.07 -0.99 0.15 -0.18 -4.93 113.70 112.12 2wqt s SER 148 Ca 0.00 -2.01 0.04 0.00 0.70 0.00 0.00 55.95 54.68 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 -1.58 -0.21 -0.51 1.20 0.00 0.00 173.24 172.14 2wqt s ILE 149 N 5.58 1.75 0.47 6.45 1.10 -1.26 -4.79 121.20 130.50 2wqt s ILE 149 Ca 0.55 -0.87 0.06 0.00 -0.51 0.00 0.00 60.65 59.88 2wqt s ILE 149 Cb 0.02 -1.51 -0.01 0.00 0.15 0.00 0.00 42.46 41.11 2wqt s ILE 149 CO 0.04 0.49 0.28 -1.10 -2.11 0.00 0.00 174.94 172.54 2wqt s GLN 150 N 0.17 2.29 0.18 3.50 -1.52 -1.26 -4.98 119.66 118.03 2wqt s GLN 150 Ca -0.10 -1.90 -0.21 0.00 -1.95 0.00 0.00 55.36 51.20 2wqt s GLN 150 Cb -0.15 -2.06 0.10 0.00 -0.22 0.00 0.00 33.01 30.69 2wqt s GLN 150 CO 0.05 -0.33 1.60 0.35 -0.25 0.00 0.00 175.29 176.70 2wqt h PHE 151 N 1.10 -0.85 -0.50 0.91 3.57 -1.89 -0.51 116.94 118.77 2wqt h PHE 151 Ca -0.40 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 2wqt h PHE 151 Cb 1.28 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 2wqt h PHE 151 CO 0.81 -0.37 0.31 0.28 -2.23 0.00 0.00 178.31 177.11 2wqt h VAL 152 N -0.19 1.14 -0.00 1.41 2.07 -1.93 -2.11 116.25 116.64 2wqt h VAL 152 Ca 0.21 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2wqt h VAL 152 Cb 0.53 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wqt h VAL 152 CO -0.61 0.14 0.00 0.44 0.02 0.00 0.00 177.57 177.56 2wqt h ASP 153 N 0.68 0.00 -0.00 0.57 3.32 -1.49 -2.78 116.42 116.72 2wqt h ASP 153 Ca 0.18 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2wqt h ASP 153 Cb -0.04 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2wqt h ASP 153 CO -0.04 0.26 0.00 0.74 -1.72 0.00 0.00 179.24 178.49 2wqt h THR 154 N -0.26 1.04 -0.15 0.35 2.02 -1.19 -2.10 112.91 112.63 2wqt h THR 154 Ca 0.00 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.09 2wqt h THR 154 Cb 0.26 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2wqt h THR 154 CO 0.00 0.03 -0.10 0.58 0.37 0.00 0.00 175.52 176.40 2wqt h VAL 155 N -0.05 0.69 -0.94 3.16 2.07 -1.44 0.32 116.25 120.07 2wqt h VAL 155 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2wqt h VAL 155 Cb 0.05 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 2wqt h VAL 155 CO -0.00 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.17 2wqt h ALA 156 N 1.01 1.34 -0.14 1.67 0.00 -1.48 -1.86 119.26 119.80 2wqt h ALA 156 Ca 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2wqt h ALA 156 Cb 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2wqt h ALA 156 CO -0.22 0.27 0.11 -3.47 0.00 0.00 0.00 179.25 175.94 2wqt n ASP 157 N -4.62 4.45 -3.79 0.00 4.64 -0.11 -3.77 116.55 113.36 2wqt n ASP 157 Ca 0.16 -2.42 -0.26 0.00 -1.38 0.00 0.00 54.79 50.88 2wqt n ASP 157 Cb 0.26 -0.84 0.04 0.00 -1.04 0.00 0.00 41.12 39.53 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 0.73 -3.50 -3.54 1.67 5.15 -0.70 -1.86 115.26 113.21 2wqt n ASN 158 Ca 0.09 -0.77 -0.26 0.00 -0.60 0.00 0.00 54.58 53.04 2wqt n ASN 158 Cb 0.59 -4.11 0.01 0.00 -0.53 0.00 0.00 39.78 35.75 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 -4.55 -1.14 -4.04 5.20 0.00 0.95 -1.94 120.51 114.99 2wqt n ALA 159 Ca -0.10 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 2wqt n ALA 159 Cb 0.59 -3.70 -0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 -2.56 -3.14 -4.78 0.00 7.64 -0.78 -4.88 113.62 105.12 2wqt n SER 160 Ca -0.01 -0.92 -0.36 0.00 1.01 0.00 0.00 58.87 58.59 2wqt n SER 160 Cb 0.55 -3.26 -0.01 0.00 -1.01 0.00 0.00 64.21 60.47 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 0.60 3.25 0.00 0.00 -0.99 -4.10 105.19 104.16 2wqt n GLY 162 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 0.06 0.16 0.06 1.61 -7.23 -0.65 -4.89 120.40 109.52 2wqt s VAL 163 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2wqt s VAL 163 Cb 0.00 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2wqt s VAL 163 CO 0.00 0.00 -0.04 -0.72 -0.31 0.00 0.00 175.10 174.03 2wqt s TYR 164 N -3.95 0.64 -0.02 2.82 1.13 -0.07 -0.84 117.35 117.05 2wqt s TYR 164 Ca 0.39 -0.96 0.04 0.00 -1.41 0.00 0.00 57.07 55.12 2wqt s TYR 164 Cb 0.07 -0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 40.50 2wqt s TYR 164 CO 0.14 -0.28 -0.13 0.54 -2.51 0.00 0.00 175.55 173.32 2wqt s VAL 165 N -3.57 1.03 -0.09 -3.49 0.11 0.08 -0.34 120.40 114.13 2wqt s VAL 165 Ca 0.07 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2wqt s VAL 165 Cb 0.05 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2wqt s VAL 165 CO -0.07 0.30 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.26 2wqt s ILE 166 N -0.14 3.37 0.00 7.04 1.01 -0.78 -0.86 121.20 130.83 2wqt s ILE 166 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2wqt s ILE 166 Cb -0.07 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.01 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 2.80 3.76 3.80 6.18 0.00 -0.03 -1.38 105.19 120.31 2wqt n GLY 167 Ca -0.18 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 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 0.71 -0.02 0.00 -1.08 -4.66 107.32 102.19 2wqt s GLY 168 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 2wqt s GLY 168 CO 0.00 0.72 1.07 -4.14 0.00 0.00 0.00 173.10 170.75 2wqt s PRO 169 N -2.87 2.77 0.09 2.90 0.02 -1.25 -1.16 135.00 135.49 2wqt s PRO 169 Ca 0.15 1.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.94 2wqt s PRO 169 Cb -0.02 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2wqt s PRO 169 CO 0.04 -1.24 1.13 0.00 -0.33 0.00 0.00 177.00 176.60 2wqt s ALA 170 N -2.90 3.35 0.09 -1.55 0.00 -1.26 -4.65 121.76 114.84 2wqt s ALA 170 Ca 0.60 0.79 0.10 0.00 0.00 0.00 0.00 51.96 53.45 2wqt s ALA 170 Cb -0.15 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2wqt s ALA 170 CO 0.53 -0.33 -0.27 -0.65 0.00 0.00 0.00 175.76 175.04 2wqt s GLN 171 N 0.56 1.60 0.30 0.00 -1.52 -0.76 -4.98 119.66 114.87 2wqt s GLN 171 Ca 0.55 -1.23 -0.19 0.00 -1.95 0.00 0.00 55.36 52.54 2wqt s GLN 171 Cb -0.28 -1.94 -0.09 0.00 -0.22 0.00 0.00 33.01 30.47 2wqt s GLN 171 CO 0.31 0.48 0.79 1.03 -0.25 0.00 0.00 175.29 177.65 2wqt s ARG 172 N -1.65 4.20 0.40 2.91 1.81 -1.26 -0.60 118.95 124.76 2wqt s ARG 172 Ca 0.13 0.89 0.14 0.00 -1.72 0.00 0.00 55.73 55.17 2wqt s ARG 172 Cb -0.10 -2.60 0.85 0.00 -0.45 0.00 0.00 34.95 32.65 2wqt s ARG 172 CO 0.04 0.23 1.89 -1.00 -0.68 0.00 0.00 175.30 175.78 2wqt h PRO 173 N 2.73 0.00 -6.25 3.54 0.13 -1.85 -3.41 132.00 126.88 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 32.33 2wqt h PRO 173 CO 0.65 0.29 1.19 0.00 -0.23 0.00 0.00 178.00 179.90 2wqt n ALA 174 N -2.48 1.13 0.00 -0.56 0.00 -1.26 -1.46 120.51 115.89 2wqt n ALA 174 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wqt n ALA 174 Cb 0.34 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 4.70 2.44 3.73 0.00 0.00 -1.26 -5.02 105.19 109.78 2wqt n GLY 175 Ca 0.24 0.00 -0.41 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 4.42 -0.59 0.99 1.43 -0.53 -4.98 118.68 119.41 2wqt s LEU 176 Ca 0.00 2.34 -0.23 0.00 -1.03 0.00 0.00 54.13 55.21 2wqt s LEU 176 Cb 0.00 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.67 2wqt s LEU 176 CO 0.00 -0.50 0.93 -0.62 0.23 0.00 0.00 176.35 176.39 2wqt s ASP 177 N 0.37 6.26 0.03 2.29 3.68 -1.26 -4.87 116.67 123.17 2wqt s ASP 177 Ca 0.56 -0.65 0.23 0.00 2.13 0.00 0.00 52.55 54.82 2wqt s ASP 177 Cb -0.35 -2.42 0.02 0.00 -1.45 0.00 0.00 42.92 38.72 2wqt s ASP 177 CO 0.37 -1.29 1.00 0.18 0.13 0.00 0.00 175.17 175.56 2wqt n LEU 178 N 7.48 0.63 -0.08 -1.34 4.77 -1.26 -4.25 117.00 122.94 2wqt n LEU 178 Ca -0.01 -0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 2wqt n LEU 178 Cb 0.47 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 2wqt n LEU 178 CO 0.63 0.08 -0.29 0.50 -1.33 0.00 0.00 177.39 176.98 2wqt h LYS 179 N 0.00 0.05 -0.91 3.23 3.64 -1.92 -3.40 116.57 117.25 2wqt h LYS 179 Ca 0.00 -0.08 -0.58 0.00 -1.27 0.00 0.00 60.65 58.72 2wqt h LYS 179 Cb 0.69 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.25 2wqt h LYS 179 CO 0.00 1.04 0.55 0.09 -2.27 0.00 0.00 179.45 178.86 2wqt n ASN 180 N -4.37 5.90 -4.50 4.20 4.13 -1.26 -2.36 115.26 116.99 2wqt n ASN 180 Ca -0.26 -3.74 -0.43 0.00 1.68 0.00 0.00 54.58 51.83 2wqt n ASN 180 Cb 0.68 -0.84 -0.05 0.00 -1.54 0.00 0.00 39.78 38.03 2wqt n ASN 180 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wqt s ALA 182 N 3.71 3.34 -0.07 0.00 0.00 -1.26 -2.54 121.76 124.94 2wqt s ALA 182 Ca 0.26 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2wqt s ALA 182 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2wqt s ALA 182 CO 0.17 -0.46 -0.18 1.41 0.00 0.00 0.00 175.76 176.70 2wqt s MET 183 N -1.89 2.13 -0.04 0.00 0.00 0.01 -0.93 119.30 118.59 2wqt s MET 183 Ca 0.51 -0.63 0.05 0.00 0.00 0.00 0.00 55.69 55.62 2wqt s MET 183 Cb -0.34 -1.73 -0.01 0.00 0.00 0.00 0.00 34.83 32.75 2wqt s MET 183 CO 0.44 0.16 -0.18 0.15 0.00 0.00 0.00 175.02 175.59 2wqt s LYS 184 N 0.32 1.78 -0.06 4.11 -0.14 -0.96 -2.06 119.74 122.74 2wqt s LYS 184 Ca -0.12 -0.65 0.04 0.00 -1.36 0.00 0.00 55.97 53.88 2wqt s LYS 184 Cb -0.15 -1.58 0.00 0.00 -1.68 0.00 0.00 37.83 34.42 2wqt s LYS 184 CO 0.05 0.30 -0.16 1.41 -0.76 0.00 0.00 175.35 176.19 2wqt s MET 185 N -0.11 1.86 0.05 1.68 1.75 -0.23 -0.70 119.30 123.60 2wqt s MET 185 Ca -0.01 -0.56 0.05 0.00 -1.25 0.00 0.00 55.69 53.91 2wqt s MET 185 Cb -0.11 -1.56 -0.04 0.00 2.84 0.00 0.00 34.83 35.97 2wqt s MET 185 CO 0.02 0.16 -0.06 0.95 -0.65 0.00 0.00 175.02 175.44 2wqt s THR 186 N 0.27 3.65 -0.15 10.11 -4.23 0.19 -0.94 115.64 124.55 2wqt s THR 186 Ca -0.09 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2wqt s THR 186 Cb -0.13 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2wqt s THR 186 CO 0.03 0.26 -0.12 -0.60 -0.54 0.00 0.00 174.62 173.65 2wqt s ARG 187 N -1.82 3.36 -1.68 3.99 3.52 -0.32 -1.94 118.95 124.07 2wqt s ARG 187 Ca 0.20 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 55.01 2wqt s ARG 187 Cb -0.11 -2.69 0.10 0.00 -1.56 0.00 0.00 34.95 30.69 2wqt s ARG 187 CO 0.11 0.11 0.35 0.09 -0.81 0.00 0.00 175.30 175.15 2wqt n ASN 188 N 3.83 -0.66 -0.00 -2.12 3.02 -0.05 -1.71 115.26 117.57 2wqt n ASN 188 Ca -0.18 -1.21 -0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2wqt n ASN 188 Cb 0.52 -1.87 -0.00 0.00 -0.61 0.00 0.00 39.78 37.82 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 -2.72 -3.04 -4.08 6.41 3.02 -1.26 -5.04 115.26 108.54 2wqt n ASN 189 Ca -0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.21 2wqt n ASN 189 Cb 0.58 -0.54 -0.15 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.25 1.10 0.20 3.52 -1.05 -0.69 -5.03 118.70 116.50 2wqt s GLU 190 Ca 0.00 -0.46 -0.32 0.00 -0.15 0.00 0.00 54.97 54.04 2wqt s GLU 190 Cb 0.00 -1.05 -0.12 0.00 -0.44 0.00 0.00 34.13 32.52 2wqt s GLU 190 CO 0.00 0.26 1.70 -1.91 0.95 0.00 0.00 175.26 176.26 2wqt n GLU 191 N 2.85 2.67 0.00 -4.83 2.13 -1.26 -1.17 120.64 121.02 2wqt n GLU 191 Ca -0.15 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2wqt n GLU 191 Cb 0.55 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.47 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 3.87 0.00 -3.53 6.31 0.24 -0.12 -4.87 118.33 120.23 2wqt n VAL 192 Ca 0.16 -0.18 -0.17 0.00 -2.04 0.00 0.00 64.34 62.10 2wqt n VAL 192 Cb 0.34 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.78 -0.66 0.21 -1.34 0.15 -1.15 -4.94 113.70 105.19 2wqt s SER 193 Ca 0.00 0.77 -0.17 0.00 0.70 0.00 0.00 55.95 57.25 2wqt s SER 193 Cb 0.00 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2wqt s SER 193 CO 0.00 -0.57 0.53 -0.94 1.20 0.00 0.00 173.24 173.46 2wqt s SER 194 N -1.05 -0.23 0.00 5.45 1.04 -1.26 -1.07 113.70 116.57 2wqt s SER 194 Ca -0.10 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2wqt s SER 194 Cb -0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2wqt s SER 194 CO 0.09 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2wqt n GLY 195 N -0.36 -0.63 3.52 7.32 0.00 -0.87 -4.36 105.19 109.81 2wqt n GLY 195 Ca -0.08 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.72 1.25 0.45 1.61 1.70 -0.99 -0.81 118.95 121.44 2wqt s ARG 196 Ca 0.00 -0.52 0.26 0.00 -0.47 0.00 0.00 55.73 54.99 2wqt s ARG 196 Cb 0.00 0.54 1.28 0.00 -0.57 0.00 0.00 34.95 36.20 2wqt s ARG 196 CO 0.00 -0.55 1.77 0.78 -1.08 0.00 0.00 175.30 176.22 2wqt h GLY 197 N 2.00 0.81 2.00 3.88 0.00 -1.45 -1.43 103.07 108.88 2wqt h GLY 197 Ca -0.29 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2wqt h GLY 197 CO 0.34 -0.11 0.00 1.48 0.00 0.00 0.00 176.54 178.24 2wqt h SER 198 N 0.23 0.00 1.19 0.19 4.64 -1.65 -2.56 113.55 115.60 2wqt h SER 198 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2wqt h SER 198 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2wqt h SER 198 CO -0.21 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.42 2wqt h GLU 199 N 0.00 0.00 -3.54 4.77 5.08 -1.54 -2.61 114.58 116.74 2wqt h GLU 199 Ca 0.00 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.57 2wqt h GLU 199 Cb 0.38 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.37 2wqt h GLU 199 CO 0.00 0.00 0.73 0.00 -1.00 0.00 0.00 179.01 178.74 2wqt n LEU 201 N 2.74 -2.05 0.00 0.00 4.77 -0.82 -2.06 117.00 119.58 2wqt n LEU 201 Ca 0.27 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2wqt n LEU 201 Cb 0.38 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 2wqt n LEU 201 CO 0.57 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2wqt n GLY 202 N -1.29 2.74 3.65 -0.72 0.00 -0.98 -4.76 105.19 103.82 2wqt n GLY 202 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 2wqt n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wqt s HIS 203 N -1.03 -0.22 0.45 1.61 5.65 -0.88 -4.27 115.29 116.60 2wqt s HIS 203 Ca 0.00 0.45 0.22 0.00 0.25 0.00 0.00 55.06 55.98 2wqt s HIS 203 Cb 0.00 0.19 1.20 0.00 -1.18 0.00 0.00 32.58 32.79 2wqt s HIS 203 CO 0.00 -0.11 1.87 -1.35 -0.65 0.00 0.00 174.74 174.50 2wqt h PRO 204 N 5.10 0.27 0.00 2.88 0.11 -1.67 0.10 132.00 138.80 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 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wqt h PRO 204 CO 0.21 0.18 0.00 -0.07 -0.21 0.00 0.00 178.00 178.11 2wqt h LEU 205 N 0.28 0.00 -0.51 2.35 3.38 -1.93 -2.55 115.31 116.33 2wqt h LEU 205 Ca 0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.32 2wqt h LEU 205 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2wqt h LEU 205 CO -0.13 0.00 -0.08 0.78 0.09 0.00 0.00 178.44 179.10 2wqt h ASN 206 N 0.00 0.96 -0.59 -0.43 2.35 -1.09 0.48 115.58 117.26 2wqt h ASN 206 Ca 0.00 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 2wqt h ASN 206 Cb 0.55 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2wqt h ASN 206 CO 0.00 1.08 0.26 0.00 -1.65 0.00 0.00 177.43 177.12 2wqt h ALA 207 N 0.92 0.77 -0.69 -0.83 0.00 -1.50 0.08 119.26 118.00 2wqt h ALA 207 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wqt h ALA 207 Cb 0.64 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2wqt h ALA 207 CO 0.04 0.35 0.31 0.00 0.00 0.00 0.00 179.25 179.96 2wqt h ALA 208 N 1.10 0.89 0.09 0.00 0.00 -1.30 -1.01 119.26 119.03 2wqt h ALA 208 Ca 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wqt h ALA 208 Cb 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wqt h ALA 208 CO -0.02 0.47 -0.04 0.28 0.00 0.00 0.00 179.25 179.94 2wqt h VAL 209 N 0.96 1.01 -0.63 0.00 2.07 -0.65 -0.15 116.25 118.88 2wqt h VAL 209 Ca 0.23 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2wqt h VAL 209 Cb 0.15 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2wqt h VAL 209 CO -0.03 0.09 0.18 -0.25 0.02 0.00 0.00 177.57 177.58 2wqt h TRP 210 N -0.28 0.30 -0.18 1.57 7.01 -0.84 -1.61 115.95 121.93 2wqt h TRP 210 Ca -0.01 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2wqt h TRP 210 Cb 0.24 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 2wqt h TRP 210 CO -0.02 0.02 0.01 1.25 -2.79 0.00 0.00 178.44 176.91 2wqt h LEU 211 N 0.33 0.30 -0.81 0.65 5.85 -0.99 -2.15 115.31 118.48 2wqt h LEU 211 Ca 0.33 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.88 2wqt h LEU 211 Cb 0.47 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2wqt h LEU 211 CO -0.38 0.52 0.43 0.00 -0.34 0.00 0.00 178.44 178.66 2wqt h ALA 212 N 0.79 1.17 0.16 1.25 0.00 -0.55 -0.61 119.26 121.48 2wqt h ALA 212 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 212 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wqt h ALA 212 CO 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 179.25 179.16 2wqt h ARG 213 N 0.67 -0.21 -0.24 0.00 3.08 -1.23 -2.08 114.38 114.36 2wqt h ARG 213 Ca 0.42 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.54 2wqt h ARG 213 Cb 0.49 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.52 2wqt h ARG 213 CO -0.30 0.08 -0.36 0.87 -1.07 0.00 0.00 179.97 179.19 2wqt h LYS 214 N -0.50 -0.35 -0.76 0.04 1.79 -1.00 -0.48 116.57 115.30 2wqt h LYS 214 Ca -0.02 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2wqt h LYS 214 Cb 0.39 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 2wqt h LYS 214 CO 0.04 -0.24 0.48 0.52 -1.08 0.00 0.00 179.45 179.17 2wqt h MET 215 N -0.37 0.89 -0.73 3.15 2.86 -1.13 -0.06 114.93 119.55 2wqt h MET 215 Ca 0.12 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2wqt h MET 215 Cb 0.57 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2wqt h MET 215 CO -0.44 0.59 0.32 0.00 1.06 0.00 0.00 176.91 178.44 2wqt h ALA 216 N 1.33 0.94 0.00 6.32 0.00 -0.93 -0.87 119.26 126.06 2wqt h ALA 216 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wqt h ALA 216 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wqt h ALA 216 CO -0.13 0.53 -0.04 0.66 0.00 0.00 0.00 179.25 180.27 2wqt h SER 217 N 1.03 0.00 0.16 0.00 4.64 -0.04 -2.40 113.55 116.94 2wqt h SER 217 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2wqt h SER 217 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2wqt h SER 217 CO -0.03 0.04 -0.03 0.18 -0.87 0.00 0.00 176.83 176.13 2wqt n LEU 218 N -3.12 0.36 -0.36 5.97 4.32 -0.14 -4.90 117.00 119.13 2wqt n LEU 218 Ca 0.02 -0.04 -0.05 0.00 -0.02 0.00 0.00 56.01 55.93 2wqt n LEU 218 Cb 0.46 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.16 2wqt n LEU 218 CO 0.32 0.06 -0.04 0.61 -1.22 0.00 0.00 177.39 177.12 2wqt n GLY 219 N 1.13 0.73 2.54 -0.72 0.00 -0.90 -4.96 105.19 103.01 2wqt n GLY 219 Ca 0.20 -0.57 -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 -2.56 2.42 -1.67 1.61 1.02 -0.36 -5.03 120.64 116.07 2wqt n GLU 220 Ca -0.05 -4.46 -0.39 0.00 -0.02 0.00 0.00 57.16 52.24 2wqt n GLU 220 Cb 0.19 -2.08 0.04 0.00 -0.02 0.00 0.00 31.44 29.57 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 0.53 1.36 -1.76 3.49 -0.02 -1.20 -4.41 135.00 132.99 2wqt n PRO 221 Ca 0.29 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 2wqt n PRO 221 Cb 0.44 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.36 4.34 0.15 2.45 1.43 -1.26 -4.86 118.68 118.57 2wqt s LEU 222 Ca 0.71 2.99 0.00 0.00 -1.03 0.00 0.00 54.13 56.81 2wqt s LEU 222 Cb -0.45 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 2wqt s LEU 222 CO 0.50 -0.93 0.31 -0.13 0.23 0.00 0.00 176.35 176.34 2wqt s ARG 223 N -0.78 3.48 0.24 1.70 0.52 -1.26 -1.32 118.95 121.53 2wqt s ARG 223 Ca 0.62 -0.45 -0.31 0.00 -0.52 0.00 0.00 55.73 55.07 2wqt s ARG 223 Cb -0.48 -2.93 -0.14 0.00 0.52 0.00 0.00 34.95 31.92 2wqt s ARG 223 CO 0.51 0.49 1.31 -2.37 0.02 0.00 0.00 175.30 175.26 2wqt n THR 224 N -0.40 1.15 0.00 0.02 5.66 -1.23 -2.01 114.28 117.48 2wqt n THR 224 Ca -0.06 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2wqt n THR 224 Cb 0.53 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 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 2.16 3.73 1.09 0.00 -0.41 -4.91 105.19 108.75 2wqt n GLY 225 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 2.47 -4.71 1.61 10.43 -0.85 -4.64 116.55 120.85 2wqt n ASP 226 Ca 0.00 0.94 -0.35 0.00 2.57 0.00 0.00 54.79 57.94 2wqt n ASP 226 Cb 0.00 -1.57 -0.09 0.00 1.84 0.00 0.00 41.12 41.31 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 4.55 -0.14 0.53 2.07 -0.26 -2.31 121.20 124.32 2wqt s ILE 227 Ca 0.75 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.84 2wqt s ILE 227 Cb -0.41 -2.94 0.02 0.00 0.13 0.00 0.00 42.46 39.27 2wqt s ILE 227 CO 0.47 0.60 -0.16 -0.63 -1.91 0.00 0.00 174.94 173.31 2wqt s ILE 228 N -0.84 1.65 -0.36 2.00 1.01 0.56 -1.95 121.20 123.27 2wqt s ILE 228 Ca 0.13 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 2wqt s ILE 228 Cb -0.12 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2wqt s ILE 228 CO 0.03 0.47 0.66 -0.76 0.00 0.00 0.00 174.94 175.34 2wqt s LEU 229 N 1.33 4.24 0.00 2.97 1.43 -0.63 -0.91 118.68 127.11 2wqt s LEU 229 Ca 0.02 0.17 0.30 0.00 -1.03 0.00 0.00 54.13 53.59 2wqt s LEU 229 Cb -0.13 -2.82 1.47 0.00 0.03 0.00 0.00 46.19 44.74 2wqt s LEU 229 CO -0.09 -0.62 1.98 0.35 0.23 0.00 0.00 176.35 178.21 2wqt n THR 230 N 5.62 0.00 0.00 5.49 -2.24 -0.81 -0.14 114.28 122.19 2wqt n THR 230 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2wqt n THR 230 Cb 0.48 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.11 3.06 3.74 3.38 0.00 -1.23 -4.75 105.19 110.51 2wqt n GLY 231 Ca 0.21 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2wqt n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wqt s ALA 232 N -3.00 3.66 -0.24 4.61 0.00 -1.26 -4.36 121.76 121.18 2wqt s ALA 232 Ca 0.00 1.33 0.20 0.00 0.00 0.00 0.00 51.96 53.50 2wqt s ALA 232 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.59 2wqt s ALA 232 CO 0.00 -0.75 1.15 -0.07 0.00 0.00 0.00 175.76 176.09 2wqt h LEU 233 N 5.52 0.00 -8.15 0.00 3.38 -1.41 -3.39 115.31 111.26 2wqt h LEU 233 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2wqt h LEU 233 Cb 1.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2wqt h LEU 233 CO 0.81 0.19 0.06 -0.83 0.09 0.00 0.00 178.44 178.76 2wqt s GLY 234 N -4.44 0.40 0.49 0.83 0.00 -1.26 -2.35 107.32 100.98 2wqt s GLY 234 Ca 0.01 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 2wqt s GLY 234 CO 0.77 -0.43 1.40 -4.14 0.00 0.00 0.00 173.10 170.70 2wqt s PRO 235 N -3.57 3.46 0.62 2.90 0.02 -1.26 -4.68 135.00 132.49 2wqt s PRO 235 Ca 0.18 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.41 2wqt s PRO 235 Cb -0.03 -2.49 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 2wqt s PRO 235 CO 0.10 -0.98 1.06 0.00 -0.33 0.00 0.00 177.00 176.85 2wqt s MET 236 N -2.64 3.21 0.09 5.54 0.23 -1.26 -4.82 119.30 119.65 2wqt s MET 236 Ca 0.65 1.15 0.05 0.00 -1.03 0.00 0.00 55.69 56.52 2wqt s MET 236 Cb -0.43 -2.02 -0.03 0.00 -1.53 0.00 0.00 34.83 30.82 2wqt s MET 236 CO 0.53 -0.90 -0.14 0.14 -2.03 0.00 0.00 175.02 172.63 2wqt s VAL 237 N -2.59 1.17 0.30 5.16 -7.23 -0.73 -4.96 120.40 111.52 2wqt s VAL 237 Ca 0.62 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2wqt s VAL 237 Cb -0.16 -1.25 -0.10 0.00 0.56 0.00 0.00 36.38 35.43 2wqt s VAL 237 CO 0.41 -0.32 1.21 0.00 -0.31 0.00 0.00 175.10 176.09 2wqt s ALA 238 N -1.67 3.46 -0.15 1.32 0.00 -1.26 -1.78 121.76 121.67 2wqt s ALA 238 Ca 0.02 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 2wqt s ALA 238 Cb -0.08 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2wqt s ALA 238 CO 0.02 -0.40 0.28 0.08 0.00 0.00 0.00 175.76 175.74 2wqt s VAL 239 N -1.08 5.31 0.21 0.00 1.01 -0.76 -4.89 120.40 120.21 2wqt s VAL 239 Ca 0.47 0.52 0.10 0.00 0.00 0.00 0.00 61.98 63.07 2wqt s VAL 239 Cb -0.36 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2wqt s VAL 239 CO 0.46 0.42 -0.13 0.20 0.00 0.00 0.00 175.10 176.06 2wqt s ASN 240 N 0.23 4.02 0.16 3.32 0.02 -1.26 -4.73 114.94 116.70 2wqt s ASN 240 Ca 0.16 -0.72 -0.33 0.00 -1.02 0.00 0.00 52.86 50.95 2wqt s ASN 240 Cb -0.13 -0.58 -0.16 0.00 0.02 0.00 0.00 41.25 40.40 2wqt s ASN 240 CO 0.04 0.08 1.13 0.00 0.02 0.00 0.00 177.10 178.38 2wqt n ALA 241 N -0.16 -1.12 -0.03 0.60 0.00 -1.26 -1.73 120.51 116.81 2wqt n ALA 241 Ca -0.10 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wqt n ALA 241 Cb 0.57 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 2.00 2.64 3.78 0.00 0.00 0.23 -4.98 105.19 108.86 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 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 243 N -3.77 6.35 -0.20 1.61 -0.00 -0.71 -4.61 116.67 115.34 2wqt s ASP 243 Ca 0.00 3.05 -0.02 0.00 -0.00 0.00 0.00 52.55 55.58 2wqt s ASP 243 Cb 0.00 -2.67 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 2wqt s ASP 243 CO 0.00 -0.87 -0.11 -0.60 -0.00 0.00 0.00 175.17 173.59 2wqt s ARG 244 N -2.06 3.22 -0.06 8.23 3.52 -1.26 -0.96 118.95 129.57 2wqt s ARG 244 Ca 0.53 -0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 55.42 2wqt s ARG 244 Cb -0.46 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2wqt s ARG 244 CO 0.63 -0.19 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.85 2wqt s PHE 245 N 1.37 3.07 -0.05 5.12 0.40 0.50 -0.87 117.98 127.53 2wqt s PHE 245 Ca 0.05 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2wqt s PHE 245 Cb -0.14 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.69 2wqt s PHE 245 CO -0.07 0.43 0.12 -2.00 0.70 0.00 0.00 175.22 174.39 2wqt s GLU 246 N -1.03 0.06 0.00 0.44 2.12 -0.82 -0.96 118.70 118.53 2wqt s GLU 246 Ca 0.14 0.32 0.08 0.00 0.36 0.00 0.00 54.97 55.88 2wqt s GLU 246 Cb -0.11 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.06 2wqt s GLU 246 CO 0.04 -0.16 -0.24 0.00 -0.54 0.00 0.00 175.26 174.36 2wqt s ALA 247 N 1.12 2.30 -0.14 6.30 0.00 0.14 -0.63 121.76 130.84 2wqt s ALA 247 Ca -0.09 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2wqt s ALA 247 Cb -0.12 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2wqt s ALA 247 CO -0.05 0.54 -0.17 -1.01 0.00 0.00 0.00 175.76 175.07 2wqt s HIS 248 N -0.72 2.74 -0.25 0.00 3.76 0.13 -1.48 115.29 119.46 2wqt s HIS 248 Ca 0.11 -1.02 -0.00 0.00 -0.15 0.00 0.00 55.06 53.99 2wqt s HIS 248 Cb -0.10 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.78 2wqt s HIS 248 CO 0.01 -0.45 -0.08 0.42 -0.85 0.00 0.00 174.74 173.79 2wqt s ILE 249 N 0.68 2.64 0.09 0.60 1.01 0.63 -2.25 121.20 124.59 2wqt s ILE 249 Ca -0.08 -1.21 -0.34 0.00 0.00 0.00 0.00 60.65 59.02 2wqt s ILE 249 Cb -0.16 -2.39 -0.13 0.00 0.01 0.00 0.00 42.46 39.79 2wqt s ILE 249 CO 0.02 0.14 1.69 1.21 0.00 0.00 0.00 174.94 178.00 2wqt n GLU 250 N 4.60 2.23 -0.64 2.79 2.13 -0.10 -1.00 120.64 130.64 2wqt n GLU 250 Ca -0.16 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2wqt n GLU 250 Cb 0.46 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.55 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 3.78 1.46 0.88 8.31 0.00 -1.26 -4.55 105.19 113.81 2wqt n GLY 251 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 0.87 -0.87 -0.61 5.41 -0.34 -4.85 119.36 116.96 2wqt n ILE 252 Ca 0.00 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2wqt n ILE 252 Cb 0.00 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 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 2.98 -0.18 3.18 7.39 0.00 -0.17 -3.97 105.19 114.41 2wqt n GLY 253 Ca -0.05 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 0.04 0.02 1.61 1.04 -0.31 -0.27 113.70 111.84 2wqt s SER 254 Ca 0.00 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.08 2wqt s SER 254 Cb 0.00 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 2wqt s SER 254 CO 0.00 -0.56 -0.10 -0.69 0.98 0.00 0.00 173.24 172.87 2wqt s VAL 255 N -2.61 0.74 0.03 5.02 1.01 -0.55 -2.64 120.40 121.39 2wqt s VAL 255 Ca -0.05 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2wqt s VAL 255 Cb -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2wqt s VAL 255 CO -0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 175.10 174.94 2wqt s ALA 256 N -0.74 0.52 -0.04 5.51 0.00 -1.26 -0.69 121.76 125.06 2wqt s ALA 256 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 2wqt s ALA 256 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2wqt s ALA 256 CO 0.00 0.01 0.22 0.00 0.00 0.00 0.00 175.76 176.00 2wqt s ALA 257 N -1.01 -0.54 -0.02 0.00 0.00 -0.13 -0.14 121.76 119.93 2wqt s ALA 257 Ca -0.07 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.29 2wqt s ALA 257 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2wqt s ALA 257 CO 0.00 -0.17 -0.21 0.99 0.00 0.00 0.00 175.76 176.36 2wqt s THR 258 N -0.67 1.69 -0.12 0.00 2.01 -0.97 -0.37 115.64 117.21 2wqt s THR 258 Ca -0.08 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 2wqt s THR 258 Cb -0.04 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2wqt s THR 258 CO 0.02 0.48 0.11 -0.36 -0.69 0.00 0.00 174.62 174.17 2wqt s PHE 259 N -0.46 3.49 0.00 4.92 0.08 -0.13 -0.14 117.98 125.74 2wqt s PHE 259 Ca 0.07 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.56 2wqt s PHE 259 Cb -0.09 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2wqt s PHE 259 CO -0.00 0.65 0.00 -1.13 -0.10 0.00 0.00 175.22 174.64 2wqt n SER 260 N 2.09 -0.07 -0.30 1.36 3.41 -0.35 -2.20 113.62 117.57 2wqt n SER 260 Ca -0.19 -0.04 0.04 0.00 -0.26 0.00 0.00 58.87 58.42 2wqt n SER 260 Cb 0.55 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