#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqt n MET 1 N 0.00 0.63 0.00 3.23 2.81 -1.26 -4.36 117.12 118.17 2wqt n MET 1 Ca 0.00 0.44 0.14 0.00 -1.81 0.00 0.00 57.70 56.47 2wqt n MET 1 Cb 0.00 -1.70 0.50 0.00 -0.71 0.00 0.00 33.22 31.31 2wqt n MET 1 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2wqt n THR 2 N -4.09 0.00 -0.35 2.03 -2.24 -1.26 -4.35 114.28 104.01 2wqt n THR 2 Ca -0.35 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.21 2wqt n THR 2 Cb 0.82 0.44 0.12 0.00 -2.10 0.00 0.00 70.33 69.61 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 2.00 1.19 -0.55 -0.78 3.64 -2.00 0.24 116.57 120.31 2wqt h LYS 3 Ca 0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2wqt h LYS 3 Cb 0.49 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2wqt h LYS 3 CO 0.00 0.79 0.21 1.25 -2.27 0.00 0.00 179.45 179.43 2wqt h HIS 4 N 1.23 0.85 -0.90 1.91 2.76 -1.87 -1.48 115.15 117.65 2wqt h HIS 4 Ca 0.37 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2wqt h HIS 4 Cb -0.05 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 2wqt h HIS 4 CO -0.01 0.70 0.55 1.15 -1.30 0.00 0.00 177.93 179.03 2wqt h THR 5 N 0.76 1.25 -0.41 6.26 2.02 -1.62 -1.95 112.91 119.22 2wqt h THR 5 Ca 0.18 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2wqt h THR 5 Cb 0.22 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2wqt h THR 5 CO -0.01 0.25 0.22 -0.07 0.37 0.00 0.00 175.52 176.28 2wqt h LEU 6 N 1.24 0.51 -0.91 2.58 4.07 -0.64 -0.84 115.31 121.31 2wqt h LEU 6 Ca 0.32 -0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.25 2wqt h LEU 6 Cb -0.07 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.48 2wqt h LEU 6 CO -0.06 0.45 0.58 -0.33 -1.08 0.00 0.00 178.44 178.00 2wqt h GLU 7 N 0.53 1.03 -0.23 1.13 4.39 -0.98 0.03 114.58 120.48 2wqt h GLU 7 Ca 0.14 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2wqt h GLU 7 Cb 0.06 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2wqt h GLU 7 CO -0.02 0.68 0.08 1.96 -1.16 0.00 0.00 179.01 180.55 2wqt h GLN 8 N 1.06 0.35 -0.45 2.33 4.20 -0.84 -1.61 115.11 120.15 2wqt h GLN 8 Ca 0.39 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.91 2wqt h GLN 8 Cb 0.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2wqt h GLN 8 CO -0.17 0.41 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.14 2wqt h LEU 9 N 0.21 0.92 -0.60 1.46 3.38 -0.93 -1.32 115.31 118.44 2wqt h LEU 9 Ca 0.08 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2wqt h LEU 9 Cb 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2wqt h LEU 9 CO -0.00 1.10 0.35 0.00 0.09 0.00 0.00 178.44 179.97 2wqt h ALA 10 N 0.97 0.79 -0.75 1.53 0.00 -0.90 -1.68 119.26 119.22 2wqt h ALA 10 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2wqt h ALA 10 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2wqt h ALA 10 CO 0.06 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.62 2wqt h ALA 11 N 1.29 1.03 -0.68 0.00 0.00 -1.01 -1.74 119.26 118.16 2wqt h ALA 11 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wqt h ALA 11 Cb 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2wqt h ALA 11 CO -0.14 0.66 0.43 -0.44 0.00 0.00 0.00 179.25 179.76 2wqt h ASP 12 N 1.11 0.71 -0.66 0.00 3.32 -0.70 -0.70 116.42 119.49 2wqt h ASP 12 Ca 0.25 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 2wqt h ASP 12 Cb 0.27 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2wqt h ASP 12 CO -0.01 0.49 0.17 -0.07 -1.72 0.00 0.00 179.24 178.10 2wqt h LEU 13 N 0.84 1.01 -0.25 1.55 4.07 -1.07 -0.11 115.31 121.36 2wqt h LEU 13 Ca 0.27 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 2wqt h LEU 13 Cb -0.00 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 2wqt h LEU 13 CO -0.10 0.97 0.02 0.03 -1.08 0.00 0.00 178.44 178.28 2wqt h ARG 14 N 1.02 0.42 -0.72 1.13 3.08 -0.84 -2.48 114.38 116.00 2wqt h ARG 14 Ca 0.22 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2wqt h ARG 14 Cb 0.35 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2wqt h ARG 14 CO -0.00 0.57 0.28 -0.09 -1.07 0.00 0.00 179.97 179.66 2wqt h ARG 15 N 0.21 1.07 -0.46 0.04 2.43 -1.04 -1.11 114.38 115.51 2wqt h ARG 15 Ca 0.07 -0.19 0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2wqt h ARG 15 Cb 0.37 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2wqt h ARG 15 CO 0.01 0.87 0.09 0.00 -1.51 0.00 0.00 179.97 179.43 2wqt h ALA 16 N 1.26 0.51 -0.15 2.80 0.00 -0.87 -1.01 119.26 121.80 2wqt h ALA 16 Ca 0.24 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2wqt h ALA 16 Cb 0.21 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wqt h ALA 16 CO -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 179.25 178.90 2wqt h ALA 17 N 1.36 0.20 -0.76 0.00 0.00 -1.08 -1.35 119.26 117.63 2wqt h ALA 17 Ca 0.23 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2wqt h ALA 17 Cb 0.30 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2wqt h ALA 17 CO -0.30 -0.08 0.50 0.93 0.00 0.00 0.00 179.25 180.29 2wqt h GLU 18 N -0.01 0.64 0.00 0.00 5.08 -0.92 -2.98 114.58 116.39 2wqt h GLU 18 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqt h GLU 18 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2wqt h GLU 18 CO 0.01 0.42 -1.18 1.04 -1.00 0.00 0.00 179.01 178.31 2wqt n GLN 19 N -4.50 0.23 -2.65 2.33 6.02 -0.41 -4.97 117.38 113.43 2wqt n GLN 19 Ca 0.13 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.88 2wqt n GLN 19 Cb 0.34 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 30.08 2wqt n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wqt n GLY 20 N 1.41 -0.39 2.97 1.08 0.00 -0.55 -5.01 105.19 104.71 2wqt n GLY 20 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.26 1.94 0.47 1.61 2.02 -0.98 -5.06 118.70 113.43 2wqt s GLU 21 Ca 0.14 -0.69 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 2wqt s GLU 21 Cb -0.06 -2.23 -0.07 0.00 0.10 0.00 0.00 34.13 31.86 2wqt s GLU 21 CO 0.17 -0.38 1.13 0.00 0.02 0.00 0.00 175.26 176.20 2wqt s ALA 22 N 1.48 2.93 0.41 5.21 0.00 -1.26 -4.46 121.76 126.07 2wqt s ALA 22 Ca 0.01 0.84 0.08 0.00 0.00 0.00 0.00 51.96 52.89 2wqt s ALA 22 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2wqt s ALA 22 CO -0.09 -0.57 0.36 0.96 0.00 0.00 0.00 175.76 176.42 2wqt s ILE 23 N -1.65 2.67 0.58 0.00 -4.36 -0.05 -4.62 121.20 113.77 2wqt s ILE 23 Ca 0.65 -1.38 -0.18 0.00 -0.26 0.00 0.00 60.65 59.48 2wqt s ILE 23 Cb -0.25 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 2wqt s ILE 23 CO 0.31 -0.01 1.13 0.00 0.24 0.00 0.00 174.94 176.60 2wqt s ALA 24 N -2.48 2.63 0.42 2.27 0.00 -1.26 -0.55 121.76 122.79 2wqt s ALA 24 Ca 0.47 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 2wqt s ALA 24 Cb -0.03 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2wqt s ALA 24 CO 0.27 -0.92 1.10 -2.30 0.00 0.00 0.00 175.76 173.91 2wqt n PRO 25 N -1.62 1.53 0.02 0.00 -0.02 -1.26 -4.87 135.00 128.79 2wqt n PRO 25 Ca 0.11 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2wqt n PRO 25 Cb 0.51 -2.15 0.35 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.40 0.44 -0.21 2.45 4.32 -1.26 -4.58 117.00 118.56 2wqt n LEU 26 Ca 0.09 0.25 0.01 0.00 -0.02 0.00 0.00 56.01 56.33 2wqt n LEU 26 Cb 0.39 -0.31 0.12 0.00 -1.62 0.00 0.00 43.42 42.00 2wqt n LEU 26 CO 0.57 0.02 0.98 0.08 -1.22 0.00 0.00 177.39 177.82 2wqt h ARG 27 N 0.00 0.37 -0.00 3.23 0.11 -1.93 -1.25 114.38 114.91 2wqt h ARG 27 Ca 0.00 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 2wqt h ARG 27 Cb 0.58 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 2wqt h ARG 27 CO 0.00 0.25 -0.50 -0.44 0.10 0.00 0.00 179.97 179.38 2wqt h ASP 28 N 0.38 0.00 0.99 0.08 3.32 -1.91 0.25 116.42 119.53 2wqt h ASP 28 Ca 0.33 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 2wqt h ASP 28 Cb 0.44 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2wqt h ASP 28 CO -0.34 0.50 -0.59 -0.07 -1.72 0.00 0.00 179.24 177.02 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.54 -3.33 115.31 116.05 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 0.59 -1.09 2.30 -1.08 0.00 0.00 178.44 179.22 2wqt n ILE 30 N -3.48 0.00 0.00 1.22 -5.35 -1.03 -5.10 119.36 105.63 2wqt n ILE 30 Ca 0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2wqt n ILE 30 Cb 0.67 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 2wqt n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wqt n GLY 31 N 1.63 1.55 0.43 3.28 0.00 0.89 -4.54 105.19 108.42 2wqt n GLY 31 Ca -0.00 -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 0.46 -1.13 -0.61 2.10 -1.89 -1.00 117.51 115.43 2wqt h ILE 32 Ca 0.00 -0.10 -0.57 0.00 1.08 0.00 0.00 64.86 65.27 2wqt h ILE 32 Cb 0.00 0.13 -0.42 0.00 -1.09 0.00 0.00 36.82 35.44 2wqt h ILE 32 CO 0.00 0.05 -0.77 -0.90 -1.08 0.00 0.00 178.15 175.45 2wqt n ASP 33 N -4.57 4.82 -4.29 2.19 5.75 -1.26 -4.49 116.55 114.70 2wqt n ASP 33 Ca 0.27 -3.74 -0.44 0.00 -0.01 0.00 0.00 54.79 50.87 2wqt n ASP 33 Cb 1.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 -0.60 5.52 -0.14 -1.12 2.85 -0.38 -4.85 115.26 116.54 2wqt n ASN 34 Ca 0.42 -3.08 -0.08 0.00 -0.11 0.00 0.00 54.58 51.73 2wqt n ASN 34 Cb 0.82 -1.43 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 0.55 -0.82 5.20 0.00 -1.89 -2.79 119.26 126.05 2wqt h ALA 35 Ca 0.25 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.26 2wqt h ALA 35 Cb 0.81 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2wqt h ALA 35 CO 1.19 0.03 0.39 1.49 0.00 0.00 0.00 179.25 182.35 2wqt h GLU 36 N 0.58 0.54 -0.29 0.00 4.81 -2.00 -1.42 114.58 116.79 2wqt h GLU 36 Ca 0.16 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2wqt h GLU 36 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2wqt h GLU 36 CO -0.03 0.35 -0.22 0.00 -0.73 0.00 0.00 179.01 178.39 2wqt h ALA 37 N 1.56 0.42 -0.58 2.92 0.00 -1.91 -1.73 119.26 119.93 2wqt h ALA 37 Ca 0.45 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 37 Cb 0.66 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2wqt h ALA 37 CO -0.38 0.38 0.35 0.00 0.00 0.00 0.00 179.25 179.59 2wqt h ALA 38 N 0.73 0.75 -0.25 0.00 0.00 -1.14 -0.41 119.26 118.94 2wqt h ALA 38 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2wqt h ALA 38 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wqt h ALA 38 CO 0.06 0.07 -0.18 1.88 0.00 0.00 0.00 179.25 181.08 2wqt h TYR 39 N 0.68 0.49 -0.70 0.00 -1.99 -1.25 -2.26 116.97 111.94 2wqt h TYR 39 Ca 0.24 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.81 2wqt h TYR 39 Cb 0.04 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 2wqt h TYR 39 CO -0.06 0.61 0.17 0.00 -0.00 0.00 0.00 178.16 178.87 2wqt h ALA 40 N 1.41 0.92 -0.23 3.88 0.00 -0.46 -0.35 119.26 124.43 2wqt h ALA 40 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wqt h ALA 40 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wqt h ALA 40 CO 0.04 0.65 0.12 0.82 0.00 0.00 0.00 179.25 180.88 2wqt h ILE 41 N 1.06 1.13 -0.61 0.00 2.04 -0.84 0.25 117.51 120.54 2wqt h ILE 41 Ca 0.22 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2wqt h ILE 41 Cb 0.38 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2wqt h ILE 41 CO 0.00 0.13 0.28 -0.61 0.00 0.00 0.00 178.15 177.96 2wqt h GLN 42 N 0.25 0.50 -0.33 2.37 4.15 -1.26 -2.50 115.11 118.30 2wqt h GLN 42 Ca 0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2wqt h GLN 42 Cb 0.10 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2wqt h GLN 42 CO -0.01 0.33 0.17 1.25 -1.93 0.00 0.00 178.83 178.64 2wqt h HIS 43 N 0.52 0.47 -0.47 3.99 2.76 -0.71 -0.57 115.15 121.13 2wqt h HIS 43 Ca 0.29 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.53 2wqt h HIS 43 Cb 0.27 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 28.99 2wqt h HIS 43 CO -0.12 0.40 -0.14 0.82 -1.30 0.00 0.00 177.93 177.59 2wqt h ILE 44 N 0.40 0.48 -0.14 6.26 1.08 -0.67 0.27 117.51 125.20 2wqt h ILE 44 Ca 0.11 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.45 2wqt h ILE 44 Cb 0.10 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2wqt h ILE 44 CO -0.02 0.00 -0.49 0.78 -0.69 0.00 0.00 178.15 177.74 2wqt h ASN 45 N -0.03 0.39 -0.27 1.72 2.35 -1.13 -0.08 115.58 118.52 2wqt h ASN 45 Ca 0.23 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2wqt h ASN 45 Cb 0.38 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2wqt h ASN 45 CO -0.50 0.81 -0.00 0.58 -1.65 0.00 0.00 177.43 176.67 2wqt h VAL 46 N 0.28 1.26 -0.81 2.81 2.07 -0.73 -2.35 116.25 118.78 2wqt h VAL 46 Ca 0.01 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2wqt h VAL 46 Cb 0.96 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2wqt h VAL 46 CO 0.08 0.29 0.47 -0.61 0.02 0.00 0.00 177.57 177.83 2wqt h GLN 47 N 0.26 1.11 -0.30 1.57 5.75 -0.71 -0.23 115.11 122.56 2wqt h GLN 47 Ca 0.08 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2wqt h GLN 47 Cb 0.42 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2wqt h GLN 47 CO 0.01 0.79 0.17 1.25 -2.65 0.00 0.00 178.83 178.41 2wqt h HIS 48 N 1.11 0.40 -0.36 3.99 2.76 -0.99 -2.19 115.15 119.88 2wqt h HIS 48 Ca 0.29 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.34 2wqt h HIS 48 Cb -0.02 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2wqt h HIS 48 CO -0.00 0.32 -0.22 -0.44 -1.30 0.00 0.00 177.93 176.28 2wqt h ASP 49 N 0.37 0.71 -0.78 3.26 3.32 -1.01 -2.86 116.42 119.44 2wqt h ASP 49 Ca 0.11 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2wqt h ASP 49 Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2wqt h ASP 49 CO -0.02 0.92 0.35 0.58 -1.72 0.00 0.00 179.24 179.35 2wqt h VAL 50 N 0.62 1.25 0.00 -1.35 2.07 -0.89 -1.40 116.25 116.54 2wqt h VAL 50 Ca 0.09 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wqt h VAL 50 Cb 0.71 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2wqt h VAL 50 CO 0.05 0.31 -0.02 0.00 0.02 0.00 0.00 177.57 177.94 2wqt h ALA 51 N 1.25 1.14 -0.57 1.67 0.00 -1.17 0.11 119.26 121.69 2wqt h ALA 51 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wqt h ALA 51 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wqt h ALA 51 CO -0.03 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2wqt n GLN 52 N -3.31 2.34 -0.45 0.00 6.02 -0.60 -4.94 117.38 116.44 2wqt n GLN 52 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 2wqt n GLN 52 Cb 0.13 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 1.42 0.76 3.74 1.08 0.00 0.38 -5.05 105.19 107.52 2wqt n GLY 53 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2wqt n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wqt s ARG 54 N -0.55 4.33 -0.30 1.61 3.52 -0.80 -4.99 118.95 121.77 2wqt s ARG 54 Ca 0.00 2.16 -0.11 0.00 -0.13 0.00 0.00 55.73 57.64 2wqt s ARG 54 Cb 0.00 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 2wqt s ARG 54 CO 0.00 -0.36 0.19 0.50 -0.81 0.00 0.00 175.30 174.83 2wqt s ARG 55 N 0.07 3.74 0.11 5.12 3.52 -1.26 -4.27 118.95 125.99 2wqt s ARG 55 Ca 0.60 -0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 55.42 2wqt s ARG 55 Cb -0.39 -3.67 -0.08 0.00 -1.56 0.00 0.00 34.95 29.26 2wqt s ARG 55 CO 0.38 -0.28 1.36 0.08 -0.81 0.00 0.00 175.30 176.03 2wqt s VAL 56 N 1.72 3.38 -0.09 7.11 1.01 -1.26 -1.10 120.40 131.17 2wqt s VAL 56 Ca 0.06 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.07 2wqt s VAL 56 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2wqt s VAL 56 CO 0.10 0.08 0.10 1.33 0.00 0.00 0.00 175.10 176.71 2wqt n VAL 57 N 3.85 0.00 -3.14 2.92 0.24 0.03 -4.85 118.33 117.37 2wqt n VAL 57 Ca 0.11 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2wqt n VAL 57 Cb 0.43 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 1.41 -0.53 3.27 7.63 0.00 -1.21 -1.05 105.19 114.72 2wqt n GLY 58 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.32 1.12 -0.05 1.61 1.81 -0.82 -1.30 118.95 120.00 2wqt s ARG 59 Ca 0.00 -1.49 0.05 0.00 -1.72 0.00 0.00 55.73 52.56 2wqt s ARG 59 Cb 0.00 -0.65 -0.02 0.00 -0.45 0.00 0.00 34.95 33.83 2wqt s ARG 59 CO 0.00 0.05 -0.17 0.21 -0.68 0.00 0.00 175.30 174.71 2wqt s LYS 60 N -3.76 2.47 -0.19 3.54 2.36 -0.09 -1.50 119.74 122.57 2wqt s LYS 60 Ca 0.19 -0.76 -0.09 0.00 -2.55 0.00 0.00 55.97 52.76 2wqt s LYS 60 Cb 0.03 -2.30 -0.05 0.00 -1.05 0.00 0.00 37.83 34.46 2wqt s LYS 60 CO 0.02 0.57 0.10 0.08 1.55 0.00 0.00 175.35 177.67 2wqt s VAL 61 N -0.60 5.14 0.40 4.02 1.01 0.56 -1.33 120.40 129.60 2wqt s VAL 61 Ca 0.09 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2wqt s VAL 61 Cb -0.11 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 2wqt s VAL 61 CO 0.01 0.45 0.04 -0.83 0.00 0.00 0.00 175.10 174.76 2wqt s GLY 62 N 0.37 2.49 -1.18 4.51 0.00 -0.58 -3.43 107.32 109.50 2wqt s GLY 62 Ca 0.06 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 42.90 2wqt s GLY 62 CO -0.01 -2.00 0.75 1.04 0.00 0.00 0.00 173.10 172.88 2wqt n LEU 63 N -0.93 -3.10 -0.18 0.66 4.77 -1.26 -1.41 117.00 115.54 2wqt n LEU 63 Ca -0.07 -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 -0.02 0.00 -2.33 0.00 0.00 43.42 39.24 2wqt n LEU 63 CO 0.43 0.42 0.15 0.35 -1.33 0.00 0.00 177.39 177.42 2wqt n THR 64 N -4.12 0.00 -3.16 -5.08 -2.24 -1.26 -4.15 114.28 94.27 2wqt n THR 64 Ca -0.14 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 2wqt n THR 64 Cb 0.62 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 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 -2.79 3.33 0.61 4.78 3.76 -1.26 -1.77 115.29 121.95 2wqt s HIS 65 Ca 0.13 0.81 0.37 0.00 -0.15 0.00 0.00 55.06 56.22 2wqt s HIS 65 Cb 0.17 -2.77 2.10 0.00 1.11 0.00 0.00 32.58 33.19 2wqt s HIS 65 CO 0.73 -0.23 2.30 -1.35 -0.85 0.00 0.00 174.74 175.35 2wqt h PRO 66 N 7.70 0.00 0.88 8.40 0.11 -1.89 -1.54 132.00 145.67 2wqt h PRO 66 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2wqt h PRO 66 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.26 2wqt h PRO 66 CO 0.76 0.01 -0.43 0.87 -0.21 0.00 0.00 178.00 178.99 2wqt h LYS 67 N 0.00 -1.15 -0.59 1.05 1.57 -1.98 -2.48 116.57 112.99 2wqt h LYS 67 Ca -0.00 0.08 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 2wqt h LYS 67 Cb 0.03 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2wqt h LYS 67 CO 0.00 -0.76 0.40 0.28 -0.57 0.00 0.00 179.45 178.79 2wqt h VAL 68 N -1.19 0.90 -0.20 0.50 2.07 -1.76 -1.69 116.25 114.89 2wqt h VAL 68 Ca -0.12 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2wqt h VAL 68 Cb 0.91 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2wqt h VAL 68 CO 0.20 0.08 0.10 1.56 0.02 0.00 0.00 177.57 179.52 2wqt h GLN 69 N 0.41 0.28 0.05 1.57 4.20 -1.30 -2.96 115.11 117.36 2wqt h GLN 69 Ca 0.27 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2wqt h GLN 69 Cb 0.53 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2wqt h GLN 69 CO -0.07 0.31 -0.03 1.96 -0.67 0.00 0.00 178.83 180.33 2wqt h GLN 70 N 0.19 -0.07 0.00 1.46 1.08 -0.92 -0.59 115.11 116.26 2wqt h GLN 70 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2wqt h GLN 70 Cb 0.12 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2wqt h GLN 70 CO -0.01 0.22 0.03 0.94 -0.95 0.00 0.00 178.83 179.06 2wqt n GLN 71 N -4.99 0.00 0.00 1.46 7.27 -0.69 -1.07 117.38 119.36 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 0.17 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.29 2wqt n GLN 71 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wqt n LEU 72 N -1.07 0.73 0.00 1.69 4.32 -1.05 -5.04 117.00 116.58 2wqt n LEU 72 Ca 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 56.01 55.26 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 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 2wqt n GLY 73 N -0.13 0.65 3.32 -0.72 0.00 -0.23 -4.23 105.19 103.85 2wqt n GLY 73 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 0.77 0.00 1.61 -7.23 -0.28 -5.02 120.40 108.26 2wqt s VAL 74 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 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 -0.16 0.87 -0.90 -0.31 0.00 0.00 175.10 174.60 2wqt n ASP 75 N -0.44 1.65 -4.71 4.85 5.68 -1.26 -3.66 116.55 118.65 2wqt n ASP 75 Ca -0.03 -1.75 -0.30 0.00 -0.50 0.00 0.00 54.79 52.22 2wqt n ASP 75 Cb 0.65 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.56 2wqt n ASP 75 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2wqt s GLN 76 N -0.75 2.60 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.71 2wqt s GLN 76 Ca 0.00 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.56 2wqt s GLN 76 Cb 0.00 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2wqt s GLN 76 CO 0.00 0.53 0.00 -0.35 -0.25 0.00 0.00 175.29 175.22 2wqt n PRO 77 N 0.41 2.32 -3.86 2.91 -0.04 -1.26 -4.95 135.00 130.54 2wqt n PRO 77 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 2wqt n PRO 77 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 2wqt n PRO 77 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wqt s ASP 78 N -1.00 -0.01 0.04 3.54 3.68 -0.50 -4.97 116.67 117.45 2wqt s ASP 78 Ca 0.00 -0.11 0.03 0.00 2.13 0.00 0.00 52.55 54.59 2wqt s ASP 78 Cb 0.00 0.23 -0.02 0.00 -1.45 0.00 0.00 42.92 41.68 2wqt s ASP 78 CO 0.00 -0.33 -0.09 0.72 0.13 0.00 0.00 175.17 175.60 2wqt s PHE 79 N -1.18 0.76 0.20 -5.34 -0.71 -1.26 -1.52 117.98 108.92 2wqt s PHE 79 Ca -0.13 -0.47 0.03 0.00 -1.04 0.00 0.00 56.93 55.32 2wqt s PHE 79 Cb -0.07 -0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 2wqt s PHE 79 CO 0.02 -0.06 -0.01 0.20 -1.34 0.00 0.00 175.22 174.03 2wqt s GLY 80 N -1.53 1.36 -0.14 1.99 0.00 -0.44 -4.36 107.32 104.19 2wqt s GLY 80 Ca -0.08 -1.66 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 2wqt s GLY 80 CO 0.01 -1.59 0.03 -1.59 0.00 0.00 0.00 173.10 169.96 2wqt s THR 81 N -3.53 4.56 -0.13 0.90 2.01 -1.26 -0.92 115.64 117.27 2wqt s THR 81 Ca 0.26 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 2wqt s THR 81 Cb 0.06 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2wqt s THR 81 CO 0.06 0.53 0.05 -0.76 -0.69 0.00 0.00 174.62 173.81 2wqt s LEU 82 N -0.21 3.84 0.08 4.42 1.43 -0.42 -4.91 118.68 122.91 2wqt s LEU 82 Ca 0.07 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2wqt s LEU 82 Cb -0.12 -1.93 -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 -0.37 2.81 0.30 0.29 0.08 -1.26 -0.79 117.98 119.03 2wqt s PHE 83 Ca 0.09 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.08 2wqt s PHE 83 Cb -0.12 -1.49 0.79 0.00 -0.57 0.00 0.00 43.02 41.63 2wqt s PHE 83 CO 0.02 0.42 1.68 0.00 -0.10 0.00 0.00 175.22 177.23 2wqt h ALA 84 N 3.80 1.49 0.00 5.36 0.00 -1.44 0.91 119.26 129.38 2wqt h ALA 84 Ca -0.48 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wqt h ALA 84 Cb 1.17 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2wqt h ALA 84 CO 0.54 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 2wqt n ASP 85 N -5.09 0.00 0.00 0.00 5.75 -1.26 -2.01 116.55 113.94 2wqt n ASP 85 Ca 0.24 0.38 0.14 0.00 -0.01 0.00 0.00 54.79 55.54 2wqt n ASP 85 Cb 0.72 -0.44 0.58 0.00 -1.03 0.00 0.00 41.12 40.95 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 -1.44 0.01 -3.20 0.11 2.81 0.31 -4.84 117.12 110.88 2wqt n MET 86 Ca 0.05 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 2wqt n MET 86 Cb 0.16 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.09 2wqt n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wqt s TYR 88 N 2.44 3.36 0.66 0.00 2.02 0.62 -4.99 117.35 121.47 2wqt s TYR 88 Ca 0.21 0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 2wqt s TYR 88 Cb -0.15 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 2wqt s TYR 88 CO 0.12 0.59 1.05 0.20 -1.57 0.00 0.00 175.55 175.93 2wqt s GLY 89 N -1.63 1.65 0.25 0.71 0.00 -1.26 -1.94 107.32 105.11 2wqt s GLY 89 Ca 0.22 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 2wqt s GLY 89 CO 0.13 0.20 1.22 1.34 0.00 0.00 0.00 173.10 175.99 2wqt n ASP 90 N -2.90 2.01 -2.78 1.64 4.64 -0.45 -2.72 116.55 116.00 2wqt n ASP 90 Ca 0.06 1.16 -0.21 0.00 -1.38 0.00 0.00 54.79 54.42 2wqt n ASP 90 Cb 0.54 -1.35 0.03 0.00 -1.04 0.00 0.00 41.12 39.31 2wqt n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 91 N 1.67 -5.91 -4.90 1.67 4.05 0.21 -4.97 115.26 107.08 2wqt n ASN 91 Ca 0.11 -0.23 -0.21 0.00 0.45 0.00 0.00 54.58 54.70 2wqt n ASN 91 Cb 0.30 -4.77 0.06 0.00 1.23 0.00 0.00 39.78 36.61 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 -5.53 2.27 -0.24 1.20 2.12 -1.10 -4.89 118.70 112.52 2wqt s GLU 92 Ca 0.24 -1.12 -0.09 0.00 0.36 0.00 0.00 54.97 54.36 2wqt s GLU 92 Cb -0.11 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2wqt s GLU 92 CO 0.30 -0.91 0.12 0.42 -0.54 0.00 0.00 175.26 174.65 2wqt s ILE 93 N -2.80 4.92 -0.22 -3.70 1.01 -1.26 -2.45 121.20 116.70 2wqt s ILE 93 Ca 0.61 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.18 2wqt s ILE 93 Cb -0.08 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 2wqt s ILE 93 CO 0.40 0.35 0.14 -0.63 0.00 0.00 0.00 174.94 175.20 2wqt s ILE 94 N 1.19 5.39 0.12 2.92 1.01 0.62 -4.94 121.20 127.51 2wqt s ILE 94 Ca 0.06 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.59 2wqt s ILE 94 Cb -0.14 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 2wqt s ILE 94 CO 0.05 0.40 1.78 -2.84 0.00 0.00 0.00 174.94 174.33 2wqt s PRO 95 N 0.64 4.15 0.42 2.79 0.02 -1.26 -1.20 135.00 140.56 2wqt s PRO 95 Ca 0.08 2.54 0.13 0.00 0.02 0.00 0.00 61.00 63.76 2wqt s PRO 95 Cb -0.12 -3.55 0.99 0.00 0.02 0.00 0.00 34.50 31.84 2wqt s PRO 95 CO 0.01 -0.81 1.98 0.35 -0.33 0.00 0.00 177.00 178.19 2wqt h PHE 96 N 8.38 0.48 0.00 6.54 3.57 -1.90 -1.61 116.94 132.40 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 0.78 0.23 0.00 0.66 -2.23 0.00 0.00 178.31 177.75 2wqt h SER 97 N 0.46 0.00 -0.54 0.41 4.64 -1.92 -3.32 113.55 113.29 2wqt h SER 97 Ca 0.28 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.66 2wqt h SER 97 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 2wqt h SER 97 CO -0.08 0.00 0.23 -0.09 -0.87 0.00 0.00 176.83 176.02 2wqt h ARG 98 N 0.00 0.42 -5.16 4.77 9.65 -1.67 -3.42 114.38 118.97 2wqt h ARG 98 Ca 0.00 -0.03 -0.65 0.00 -1.10 0.00 0.00 59.98 58.20 2wqt h ARG 98 Cb 0.56 -0.09 -0.26 0.00 -1.39 0.00 0.00 29.97 28.79 2wqt h ARG 98 CO 0.00 0.28 -0.73 0.08 2.80 0.00 0.00 179.97 182.40 2wqt s VAL 99 N -6.12 3.36 -0.15 0.20 1.01 -1.25 -5.05 120.40 112.39 2wqt s VAL 99 Ca -0.13 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 2wqt s VAL 99 Cb 0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2wqt s VAL 99 CO 0.74 0.47 1.10 -0.22 0.00 0.00 0.00 175.10 177.18 2wqt s LEU 100 N 0.88 4.19 -1.00 3.92 2.96 -1.26 -3.93 118.68 124.43 2wqt s LEU 100 Ca -0.02 1.56 -0.10 0.00 -0.22 0.00 0.00 54.13 55.35 2wqt s LEU 100 Cb -0.15 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 2wqt s LEU 100 CO 0.01 -0.60 0.81 0.00 -1.32 0.00 0.00 176.35 175.25 2wqt n GLN 101 N 5.76 -1.64 -2.79 1.98 6.02 -1.26 -1.11 117.38 124.33 2wqt n GLN 101 Ca 0.11 0.84 -0.36 0.00 -0.01 0.00 0.00 57.00 57.57 2wqt n GLN 101 Cb 0.47 -4.96 -0.06 0.00 1.02 0.00 0.00 30.24 26.70 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 -4.72 4.54 0.02 -1.09 0.04 -1.25 -4.04 135.00 128.49 2wqt s PRO 102 Ca 0.34 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2wqt s PRO 102 Cb -0.08 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 2wqt s PRO 102 CO 0.80 0.25 -0.06 1.03 0.04 0.00 0.00 177.00 179.06 2wqt s ARG 103 N -2.18 0.42 0.10 4.56 3.00 -0.32 -1.71 118.95 122.82 2wqt s ARG 103 Ca 0.51 -0.47 0.06 0.00 0.00 0.00 0.00 55.73 55.84 2wqt s ARG 103 Cb -0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 34.95 34.47 2wqt s ARG 103 CO 0.22 0.06 -0.04 0.96 0.00 0.00 0.00 175.30 176.51 2wqt s ILE 104 N -0.80 3.76 0.02 1.52 -5.25 -0.58 0.24 121.20 120.12 2wqt s ILE 104 Ca -0.05 -1.12 -0.01 0.00 -0.99 0.00 0.00 60.65 58.47 2wqt s ILE 104 Cb -0.06 -2.79 -0.02 0.00 2.95 0.00 0.00 42.46 42.54 2wqt s ILE 104 CO 0.00 0.10 0.00 -1.83 -1.79 0.00 0.00 174.94 171.42 2wqt s GLU 105 N -2.31 0.40 0.08 0.37 -1.05 -0.37 -1.63 118.70 114.19 2wqt s GLU 105 Ca 0.24 -0.70 -0.16 0.00 -0.15 0.00 0.00 54.97 54.21 2wqt s GLU 105 Cb -0.11 0.15 -0.06 0.00 -0.44 0.00 0.00 34.13 33.66 2wqt s GLU 105 CO 0.17 -0.08 0.51 0.00 0.95 0.00 0.00 175.26 176.81 2wqt s ALA 106 N -1.95 3.62 0.11 -0.84 0.00 -1.26 -0.55 121.76 120.89 2wqt s ALA 106 Ca -0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 2wqt s ALA 106 Cb -0.06 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 2wqt s ALA 106 CO -0.02 0.45 0.18 -1.21 0.00 0.00 0.00 175.76 175.15 2wqt s GLU 107 N -1.43 0.91 -0.21 0.00 2.02 0.04 -1.09 118.70 118.94 2wqt s GLU 107 Ca 0.31 -1.10 -0.10 0.00 0.02 0.00 0.00 54.97 54.10 2wqt s GLU 107 Cb -0.17 0.33 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2wqt s GLU 107 CO 0.18 -0.29 0.14 0.42 0.02 0.00 0.00 175.26 175.72 2wqt s ILE 108 N -3.92 5.37 -0.09 -1.63 1.01 -1.26 -0.94 121.20 119.74 2wqt s ILE 108 Ca 0.11 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.90 2wqt s ILE 108 Cb 0.05 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 2wqt s ILE 108 CO -0.06 0.41 0.06 0.00 0.00 0.00 0.00 174.94 175.34 2wqt s ALA 109 N 0.60 3.52 0.03 9.38 0.00 0.23 -1.70 121.76 133.82 2wqt s ALA 109 Ca 0.08 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2wqt s ALA 109 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2wqt s ALA 109 CO 0.00 0.61 -0.24 -0.51 0.00 0.00 0.00 175.76 175.63 2wqt s LEU 110 N -1.01 2.29 -0.04 0.00 1.43 -0.06 -1.19 118.68 120.10 2wqt s LEU 110 Ca 0.15 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2wqt s LEU 110 Cb -0.12 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2wqt s LEU 110 CO 0.04 0.28 -0.20 -0.69 0.23 0.00 0.00 176.35 176.00 2wqt s VAL 111 N -0.79 2.56 -0.09 -1.59 1.01 -0.49 -0.34 120.40 120.67 2wqt s VAL 111 Ca 0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2wqt s VAL 111 Cb -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2wqt s VAL 111 CO 0.02 0.58 0.10 -0.76 0.00 0.00 0.00 175.10 175.05 2wqt s LEU 112 N -0.64 4.14 0.32 3.92 1.43 -1.00 0.63 118.68 127.48 2wqt s LEU 112 Ca 0.10 0.35 0.15 0.00 -1.03 0.00 0.00 54.13 53.69 2wqt s LEU 112 Cb -0.11 -2.06 0.50 0.00 0.03 0.00 0.00 46.19 44.55 2wqt s LEU 112 CO -0.00 0.38 1.66 0.78 0.23 0.00 0.00 176.35 179.40 2wqt h ASN 113 N 4.87 0.00 -5.17 2.29 2.35 -0.72 -0.43 115.58 118.77 2wqt h ASN 113 Ca -0.53 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.17 2wqt h ASN 113 Cb 1.21 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.48 2wqt h ASN 113 CO 0.58 0.50 -0.11 0.00 -1.65 0.00 0.00 177.43 176.76 2wqt s ARG 114 N -3.58 1.35 0.57 0.81 3.03 -1.26 -4.67 118.95 115.21 2wqt s ARG 114 Ca -0.00 -1.04 -0.20 0.00 2.03 0.00 0.00 55.73 56.52 2wqt s ARG 114 Cb 0.12 0.47 -0.04 0.00 -1.03 0.00 0.00 34.95 34.46 2wqt s ARG 114 CO 0.73 -0.55 1.22 -0.51 -1.13 0.00 0.00 175.30 175.06 2wqt s ASP 115 N -2.93 5.28 -0.63 -2.89 1.01 -1.26 -3.43 116.67 111.82 2wqt s ASP 115 Ca 0.14 2.43 0.05 0.00 0.71 0.00 0.00 52.55 55.88 2wqt s ASP 115 Cb 0.00 -2.60 0.17 0.00 1.01 0.00 0.00 42.92 41.50 2wqt s ASP 115 CO 0.01 -1.53 0.47 0.18 0.21 0.00 0.00 175.17 174.51 2wqt n LEU 116 N -1.42 2.22 0.15 1.23 4.77 -0.35 -4.91 117.00 118.69 2wqt n LEU 116 Ca 0.13 -5.02 0.03 0.00 -0.03 0.00 0.00 56.01 51.11 2wqt n LEU 116 Cb 0.49 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 2wqt n LEU 116 CO 0.46 1.80 0.51 1.55 -1.33 0.00 0.00 177.39 180.38 2wqt h PRO 117 N 5.38 0.00 -6.31 3.23 0.13 -1.93 -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 64.76 2wqt h PRO 117 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 2wqt h PRO 117 CO 0.64 0.50 0.78 0.00 -0.23 0.00 0.00 178.00 179.69 2wqt s ALA 118 N -3.15 3.55 -1.52 -0.56 0.00 -1.26 -4.82 121.76 114.00 2wqt s ALA 118 Ca 0.02 0.70 0.29 0.00 0.00 0.00 0.00 51.96 52.98 2wqt s ALA 118 Cb 0.09 -3.56 1.52 0.00 0.00 0.00 0.00 23.12 21.16 2wqt s ALA 118 CO 0.73 -0.88 2.03 0.25 0.00 0.00 0.00 175.76 177.88 2wqt n THR 119 N 4.75 0.04 -1.75 0.00 -2.24 -1.26 -3.11 114.28 110.71 2wqt n THR 119 Ca 0.12 0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.94 2wqt n THR 119 Cb 0.45 -0.53 0.17 0.00 -2.10 0.00 0.00 70.33 68.31 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 2.02 -4.70 3.42 3.85 -1.26 -4.78 116.55 113.85 2wqt n ASP 120 Ca 0.15 -3.68 -0.43 0.00 -0.71 0.00 0.00 54.79 50.12 2wqt n ASP 120 Cb 0.21 -0.48 -0.01 0.00 -1.35 0.00 0.00 41.12 39.49 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 -0.91 1.88 -3.99 2.12 3.06 -1.18 -4.99 119.36 115.35 2wqt n ILE 121 Ca 0.21 -0.47 -0.23 0.00 -2.50 0.00 0.00 62.75 59.75 2wqt n ILE 121 Cb 0.77 -1.61 -0.03 0.00 0.54 0.00 0.00 39.64 39.31 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 -0.97 5.09 0.26 9.51 -4.23 -1.26 -4.98 115.64 119.06 2wqt s THR 122 Ca 0.57 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 2wqt s THR 122 Cb -0.57 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 69.90 2wqt s THR 122 CO 0.61 -0.24 1.61 0.15 -0.54 0.00 0.00 174.62 176.21 2wqt h PHE 123 N 1.63 -0.10 -0.12 3.99 3.57 -1.94 -0.36 116.94 123.62 2wqt h PHE 123 Ca -0.50 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 2wqt h PHE 123 Cb 1.22 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2wqt h PHE 123 CO 0.50 -0.31 -0.39 0.38 -2.23 0.00 0.00 178.31 176.26 2wqt h ASP 124 N 0.07 0.27 0.02 0.41 2.03 -2.00 -2.84 116.42 114.38 2wqt h ASP 124 Ca 0.47 -0.11 -0.14 0.00 -0.73 0.00 0.00 57.03 56.52 2wqt h ASP 124 Cb 0.85 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.27 2wqt h ASP 124 CO -0.76 0.64 -0.45 -0.33 -1.03 0.00 0.00 179.24 177.31 2wqt h GLU 125 N 0.22 0.51 -0.60 4.15 5.08 -1.50 -2.89 114.58 119.56 2wqt h GLU 125 Ca 0.02 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2wqt h GLU 125 Cb 0.79 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2wqt h GLU 125 CO 0.06 0.86 0.12 1.25 -1.00 0.00 0.00 179.01 180.30 2wqt h LEU 126 N 0.42 0.89 -0.67 1.33 5.85 -1.15 -2.82 115.31 119.15 2wqt h LEU 126 Ca 0.03 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2wqt h LEU 126 Cb 0.95 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 2wqt h LEU 126 CO 0.08 0.88 0.16 1.88 -0.34 0.00 0.00 178.44 181.11 2wqt h TYR 127 N 0.90 0.26 0.00 1.25 0.05 -1.29 0.15 116.97 118.29 2wqt h TYR 127 Ca 0.19 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2wqt h TYR 127 Cb 0.36 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2wqt h TYR 127 CO 0.02 -0.04 0.00 -1.71 -1.05 0.00 0.00 178.16 175.38 2wqt n ASN 128 N -5.13 0.04 -0.21 3.88 2.85 -1.07 -2.68 115.26 112.95 2wqt n ASN 128 Ca 0.11 0.51 0.11 0.00 -0.11 0.00 0.00 54.58 55.20 2wqt n ASN 128 Cb 0.38 -0.52 0.01 0.00 1.24 0.00 0.00 39.78 40.89 2wqt n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wqt n ALA 129 N -1.52 4.04 -2.66 5.20 0.00 0.52 -4.89 120.51 121.20 2wqt n ALA 129 Ca 0.03 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 2wqt n ALA 129 Cb 0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.76 4.84 -0.19 0.00 1.01 -1.09 -0.01 121.20 123.00 2wqt s ILE 130 Ca 0.14 1.68 -0.21 0.00 0.00 0.00 0.00 60.65 62.25 2wqt s ILE 130 Cb 0.17 -4.16 -0.21 0.00 0.01 0.00 0.00 42.46 38.28 2wqt s ILE 130 CO 0.71 -0.02 0.30 -0.08 0.00 0.00 0.00 174.94 175.84 2wqt h GLU 131 N 7.43 0.03 -4.28 2.79 4.81 -0.08 -3.44 114.58 121.84 2wqt h GLU 131 Ca -0.27 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 58.65 2wqt h GLU 131 Cb 1.11 0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.28 2wqt h GLU 131 CO 0.86 1.03 -0.73 -1.58 -0.73 0.00 0.00 179.01 177.86 2wqt s TRP 132 N -2.37 0.45 -0.09 0.92 0.52 -1.11 -4.59 118.94 112.68 2wqt s TRP 132 Ca -0.27 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.53 2wqt s TRP 132 Cb 0.05 -0.28 -0.00 0.00 -1.15 0.00 0.00 33.47 32.08 2wqt s TRP 132 CO 0.62 -0.08 -0.23 0.54 0.02 0.00 0.00 176.95 177.82 2wqt s VAL 133 N -0.96 1.99 0.04 4.03 0.11 0.09 -1.39 120.40 124.30 2wqt s VAL 133 Ca -0.08 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 57.97 2wqt s VAL 133 Cb -0.07 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 2wqt s VAL 133 CO -0.00 0.55 -0.01 -1.48 -3.33 0.00 0.00 175.10 170.83 2wqt s LEU 134 N 0.28 2.27 0.34 2.54 2.34 -0.33 -1.63 118.68 124.49 2wqt s LEU 134 Ca -0.16 -0.74 -0.26 0.00 0.06 0.00 0.00 54.13 53.03 2wqt s LEU 134 Cb -0.17 0.24 -0.10 0.00 -0.56 0.00 0.00 46.19 45.60 2wqt s LEU 134 CO 0.08 -0.48 0.97 -2.16 -1.06 0.00 0.00 176.35 173.70 2wqt s PRO 135 N -2.81 4.50 0.04 1.48 0.04 -1.26 -0.60 135.00 136.38 2wqt s PRO 135 Ca -0.03 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 2wqt s PRO 135 Cb -0.00 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 2wqt s PRO 135 CO -0.06 0.19 -0.02 0.00 0.04 0.00 0.00 177.00 177.15 2wqt s ALA 136 N -1.62 0.34 -0.07 8.56 0.00 -0.12 -0.86 121.76 127.99 2wqt s ALA 136 Ca 0.52 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2wqt s ALA 136 Cb -0.20 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2wqt s ALA 136 CO 0.25 -0.31 -0.12 -0.51 0.00 0.00 0.00 175.76 175.07 2wqt s LEU 137 N -2.43 2.82 -0.21 0.00 1.43 0.08 -0.78 118.68 119.60 2wqt s LEU 137 Ca -0.01 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2wqt s LEU 137 Cb 0.02 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2wqt s LEU 137 CO -0.07 0.31 -0.04 -0.70 0.23 0.00 0.00 176.35 176.08 2wqt s GLU 138 N -0.51 3.43 -0.68 1.70 2.12 0.28 -0.70 118.70 124.35 2wqt s GLU 138 Ca 0.07 -0.61 -0.19 0.00 0.36 0.00 0.00 54.97 54.61 2wqt s GLU 138 Cb -0.12 -2.98 0.12 0.00 0.26 0.00 0.00 34.13 31.41 2wqt s GLU 138 CO 0.02 -0.10 0.80 0.08 -0.54 0.00 0.00 175.26 175.51 2wqt s VAL 139 N 1.24 4.87 0.50 3.70 1.01 0.05 -1.23 120.40 130.53 2wqt s VAL 139 Ca 0.03 -1.22 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 2wqt s VAL 139 Cb -0.14 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.61 2wqt s VAL 139 CO -0.01 -1.20 0.96 0.68 0.00 0.00 0.00 175.10 175.53 2wqt s VAL 140 N 2.48 4.54 0.08 2.92 -7.23 0.14 -1.69 120.40 121.65 2wqt s VAL 140 Ca 0.16 1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 61.48 2wqt s VAL 140 Cb -0.19 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.01 2wqt s VAL 140 CO 0.02 -0.65 0.08 -0.83 -0.31 0.00 0.00 175.10 173.41 2wqt s GLY 141 N -3.02 0.41 -0.07 2.32 0.00 -0.29 -1.17 107.32 105.50 2wqt s GLY 141 Ca 0.58 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 44.31 2wqt s GLY 141 CO 0.30 -1.11 -0.12 -0.45 0.00 0.00 0.00 173.10 171.72 2wqt s SER 142 N -2.92 1.86 0.00 1.64 0.15 -0.27 -4.24 113.70 109.91 2wqt s SER 142 Ca 0.09 -0.31 0.29 0.00 0.70 0.00 0.00 55.95 56.72 2wqt s SER 142 Cb 0.06 -0.85 1.27 0.00 -1.71 0.00 0.00 66.02 64.80 2wqt s SER 142 CO -0.08 0.02 1.87 0.54 1.20 0.00 0.00 173.24 176.79 2wqt n ARG 143 N 3.93 1.48 -4.12 5.44 3.00 -1.26 -4.52 116.66 120.60 2wqt n ARG 143 Ca -0.22 -0.69 -0.34 0.00 -0.01 0.00 0.00 57.85 56.59 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 4.59 -0.13 0.55 1.01 -1.26 -0.87 121.20 123.09 2wqt s ILE 144 Ca 0.40 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 2wqt s ILE 144 Cb 0.21 -3.04 -0.14 0.00 0.01 0.00 0.00 42.46 39.51 2wqt s ILE 144 CO 0.34 0.49 0.89 -1.14 0.00 0.00 0.00 174.94 175.52 2wqt n ARG 145 N 3.28 0.00 -2.97 2.79 0.63 0.29 -2.82 116.66 117.86 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 -1.04 -0.01 0.00 0.45 0.00 0.00 32.46 32.39 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 1.72 -3.33 -1.94 6.15 8.00 -1.26 -0.98 116.55 124.89 2wqt n ASP 146 Ca 0.17 -0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 2wqt n ASP 146 Cb 0.02 -2.82 -0.03 0.00 -0.02 0.00 0.00 41.12 38.27 2wqt n ASP 146 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2wqt n TRP 147 N -3.55 -0.94 -2.47 1.24 7.02 -1.13 -4.85 117.44 112.75 2wqt n TRP 147 Ca -0.05 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.03 2wqt n TRP 147 Cb 0.56 -2.65 -0.02 0.00 -2.42 0.00 0.00 31.31 26.78 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 -2.04 6.39 -0.07 -0.99 0.15 -0.16 -4.93 113.70 112.05 2wqt s SER 148 Ca 0.00 -1.90 0.04 0.00 0.70 0.00 0.00 55.95 54.79 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 -1.63 -0.20 -0.51 1.20 0.00 0.00 173.24 172.11 2wqt s ILE 149 N 5.73 1.67 0.47 6.45 1.10 -1.26 -4.78 121.20 130.57 2wqt s ILE 149 Ca 0.54 -0.82 0.07 0.00 -0.51 0.00 0.00 60.65 59.93 2wqt s ILE 149 Cb 0.01 -1.44 -0.00 0.00 0.15 0.00 0.00 42.46 41.18 2wqt s ILE 149 CO 0.02 0.47 0.33 -1.10 -2.11 0.00 0.00 174.94 172.56 2wqt s GLN 150 N 0.22 2.33 0.17 3.50 -1.52 -1.26 -4.98 119.66 118.12 2wqt s GLN 150 Ca -0.10 -1.84 -0.23 0.00 -1.95 0.00 0.00 55.36 51.24 2wqt s GLN 150 Cb -0.15 -2.14 0.08 0.00 -0.22 0.00 0.00 33.01 30.58 2wqt s GLN 150 CO 0.05 -0.36 1.59 0.35 -0.25 0.00 0.00 175.29 176.67 2wqt h PHE 151 N 1.02 -0.98 -0.41 0.91 3.57 -1.89 -0.90 116.94 118.26 2wqt h PHE 151 Ca -0.40 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 2wqt h PHE 151 Cb 1.28 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 2wqt h PHE 151 CO 0.76 -0.39 0.25 0.28 -2.23 0.00 0.00 178.31 176.98 2wqt h VAL 152 N -0.22 1.11 -0.06 1.41 2.07 -1.93 -2.18 116.25 116.46 2wqt h VAL 152 Ca 0.20 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2wqt h VAL 152 Cb 0.55 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wqt h VAL 152 CO -0.62 0.12 0.00 0.44 0.02 0.00 0.00 177.57 177.54 2wqt h ASP 153 N 0.55 0.11 0.17 0.57 3.32 -1.56 -2.80 116.42 116.79 2wqt h ASP 153 Ca 0.15 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2wqt h ASP 153 Cb -0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2wqt h ASP 153 CO -0.03 0.37 -0.08 0.74 -1.72 0.00 0.00 179.24 178.52 2wqt h THR 154 N -0.16 0.86 -0.27 0.35 2.02 -1.21 -1.96 112.91 112.53 2wqt h THR 154 Ca 0.02 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.13 2wqt h THR 154 Cb 0.32 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 2wqt h THR 154 CO 0.00 0.03 -0.09 0.58 0.37 0.00 0.00 175.52 176.41 2wqt h VAL 155 N -0.29 0.67 -0.99 3.16 2.07 -1.46 0.23 116.25 119.64 2wqt h VAL 155 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2wqt h VAL 155 Cb 0.23 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2wqt h VAL 155 CO 0.04 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.28 2wqt h ALA 156 N 1.22 1.39 -0.12 1.67 0.00 -1.48 -1.63 119.26 120.32 2wqt h ALA 156 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wqt h ALA 156 Cb 0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2wqt h ALA 156 CO -0.30 0.48 0.09 -3.47 0.00 0.00 0.00 179.25 176.04 2wqt n ASP 157 N -4.48 4.21 -3.76 0.00 4.64 0.11 -3.74 116.55 113.52 2wqt n ASP 157 Ca 0.15 -2.36 -0.25 0.00 -1.38 0.00 0.00 54.79 50.95 2wqt n ASP 157 Cb 0.15 -0.79 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 0.70 -3.27 -3.55 1.67 5.15 -0.62 -1.89 115.26 113.47 2wqt n ASN 158 Ca 0.07 -0.76 -0.26 0.00 -0.60 0.00 0.00 54.58 53.03 2wqt n ASN 158 Cb 0.59 -4.16 0.01 0.00 -0.53 0.00 0.00 39.78 35.69 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 -4.52 -1.13 -4.03 5.20 0.00 0.59 -1.95 120.51 114.67 2wqt n ALA 159 Ca -0.13 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 2wqt n ALA 159 Cb 0.60 -3.58 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 2wqt n ALA 159 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wqt n SER 160 N -2.53 -3.31 -4.77 0.00 7.64 -0.79 -4.89 113.62 104.96 2wqt n SER 160 Ca -0.00 -0.91 -0.37 0.00 1.01 0.00 0.00 58.87 58.60 2wqt n SER 160 Cb 0.54 -3.33 -0.02 0.00 -1.01 0.00 0.00 64.21 60.40 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 0.39 0.66 3.28 0.00 0.00 -0.97 -4.15 105.19 104.40 2wqt n GLY 162 Ca 0.07 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 0.11 0.26 0.05 1.61 -7.23 -0.68 -4.88 120.40 109.64 2wqt s VAL 163 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2wqt s VAL 163 Cb 0.00 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 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 -3.81 0.43 -0.02 2.82 1.13 0.07 -0.77 117.35 117.21 2wqt s TYR 164 Ca 0.38 -0.91 0.04 0.00 -1.41 0.00 0.00 57.07 55.16 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 0.16 -0.36 -0.12 0.54 -2.51 0.00 0.00 175.55 173.26 2wqt s VAL 165 N -3.43 0.99 -0.09 -3.49 0.11 0.12 -0.28 120.40 114.33 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 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2wqt s VAL 165 CO -0.08 0.29 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.24 2wqt s ILE 166 N -0.13 3.39 0.00 7.04 1.01 -0.82 -0.74 121.20 130.95 2wqt s ILE 166 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2wqt s ILE 166 Cb -0.06 -2.40 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 2.77 3.88 3.79 6.18 0.00 -0.04 -1.34 105.19 120.44 2wqt n GLY 167 Ca -0.18 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.14 0.68 -0.02 0.00 -1.12 -4.67 107.32 102.05 2wqt s GLY 168 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 2wqt s GLY 168 CO 0.00 1.45 1.07 -4.14 0.00 0.00 0.00 173.10 171.48 2wqt s PRO 169 N -2.57 2.89 0.10 2.90 0.02 -1.26 -1.61 135.00 135.47 2wqt s PRO 169 Ca 0.18 1.13 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 2wqt s PRO 169 Cb -0.00 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2wqt s PRO 169 CO 0.02 -1.15 1.18 0.00 -0.33 0.00 0.00 177.00 176.71 2wqt s ALA 170 N -2.76 3.39 0.10 -1.55 0.00 -1.26 -4.64 121.76 115.04 2wqt s ALA 170 Ca 0.61 0.85 0.10 0.00 0.00 0.00 0.00 51.96 53.53 2wqt s ALA 170 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2wqt s ALA 170 CO 0.48 -0.38 -0.27 -0.65 0.00 0.00 0.00 175.76 174.95 2wqt s GLN 171 N 0.57 1.53 0.34 0.00 -1.52 -0.65 -4.98 119.66 114.96 2wqt s GLN 171 Ca 0.56 -1.27 -0.18 0.00 -1.95 0.00 0.00 55.36 52.52 2wqt s GLN 171 Cb -0.30 -1.93 -0.10 0.00 -0.22 0.00 0.00 33.01 30.47 2wqt s GLN 171 CO 0.31 0.47 0.81 1.03 -0.25 0.00 0.00 175.29 177.67 2wqt s ARG 172 N -1.79 4.15 0.38 2.91 1.81 -1.26 -0.73 118.95 124.42 2wqt s ARG 172 Ca 0.13 0.88 0.12 0.00 -1.72 0.00 0.00 55.73 55.14 2wqt s ARG 172 Cb -0.10 -2.45 0.74 0.00 -0.45 0.00 0.00 34.95 32.69 2wqt s ARG 172 CO 0.05 0.15 1.85 -1.00 -0.68 0.00 0.00 175.30 175.66 2wqt h PRO 173 N 2.40 0.05 -6.26 3.54 0.13 -1.84 -3.41 132.00 126.60 2wqt h PRO 173 Ca -0.48 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.04 2wqt h PRO 173 Cb 1.18 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wqt h PRO 173 CO 0.64 0.37 1.18 0.00 -0.23 0.00 0.00 178.00 179.96 2wqt n ALA 174 N -2.48 1.13 0.00 -0.56 0.00 -1.26 -1.45 120.51 115.90 2wqt n ALA 174 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2wqt n ALA 174 Cb 0.37 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 4.64 2.10 3.73 0.00 0.00 -1.26 -5.02 105.19 109.38 2wqt n GLY 175 Ca 0.23 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 4.41 -0.60 0.99 1.43 -0.53 -4.98 118.68 119.40 2wqt s LEU 176 Ca 0.00 2.29 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 2wqt s LEU 176 Cb 0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.67 2wqt s LEU 176 CO 0.00 -0.51 0.94 -0.62 0.23 0.00 0.00 176.35 176.39 2wqt s ASP 177 N 0.56 6.26 0.06 2.29 3.68 -1.26 -4.86 116.67 123.39 2wqt s ASP 177 Ca 0.58 -0.65 0.23 0.00 2.13 0.00 0.00 52.55 54.83 2wqt s ASP 177 Cb -0.35 -2.42 -0.00 0.00 -1.45 0.00 0.00 42.92 38.70 2wqt s ASP 177 CO 0.35 -1.31 0.97 0.18 0.13 0.00 0.00 175.17 175.48 2wqt n LEU 178 N 7.55 0.59 -0.08 -1.34 4.77 -1.26 -4.23 117.00 122.99 2wqt n LEU 178 Ca -0.01 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 2wqt n LEU 178 Cb 0.47 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2wqt n LEU 178 CO 0.63 0.01 0.02 0.50 -1.33 0.00 0.00 177.39 177.23 2wqt h LYS 179 N 0.00 0.01 -0.92 3.23 3.64 -1.92 -3.40 116.57 117.20 2wqt h LYS 179 Ca 0.00 -0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.77 2wqt h LYS 179 Cb 0.79 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.32 2wqt h LYS 179 CO 0.00 1.01 0.56 0.09 -2.27 0.00 0.00 179.45 178.83 2wqt n ASN 180 N -4.52 6.25 -4.47 4.20 4.13 -1.26 -2.36 115.26 117.23 2wqt n ASN 180 Ca -0.19 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 51.89 2wqt n ASN 180 Cb 0.57 -0.85 -0.04 0.00 -1.54 0.00 0.00 39.78 37.92 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 3.86 3.35 -0.07 0.00 0.00 -1.26 -2.67 121.76 124.97 2wqt s ALA 182 Ca 0.24 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.41 2wqt s ALA 182 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2wqt s ALA 182 CO 0.13 -0.63 -0.20 1.41 0.00 0.00 0.00 175.76 176.47 2wqt s MET 183 N -1.99 2.44 -0.04 0.00 0.00 0.09 -0.65 119.30 119.15 2wqt s MET 183 Ca 0.52 -0.74 0.05 0.00 0.00 0.00 0.00 55.69 55.52 2wqt s MET 183 Cb -0.37 -1.95 -0.00 0.00 0.00 0.00 0.00 34.83 32.51 2wqt s MET 183 CO 0.48 0.20 -0.18 0.15 0.00 0.00 0.00 175.02 175.67 2wqt s LYS 184 N 0.25 1.81 -0.06 4.11 -0.14 -0.79 -2.09 119.74 122.83 2wqt s LYS 184 Ca -0.12 -0.63 0.04 0.00 -1.36 0.00 0.00 55.97 53.90 2wqt s LYS 184 Cb -0.16 -1.58 -0.00 0.00 -1.68 0.00 0.00 37.83 34.41 2wqt s LYS 184 CO 0.06 0.27 -0.19 1.41 -0.76 0.00 0.00 175.35 176.13 2wqt s MET 185 N -0.01 2.19 0.04 1.68 1.75 -0.22 -0.41 119.30 124.33 2wqt s MET 185 Ca -0.03 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 53.76 2wqt s MET 185 Cb -0.11 -1.81 -0.04 0.00 2.84 0.00 0.00 34.83 35.71 2wqt s MET 185 CO 0.02 0.22 -0.08 0.95 -0.65 0.00 0.00 175.02 175.49 2wqt s THR 186 N 0.16 3.53 -0.15 10.11 -4.23 0.34 -0.72 115.64 124.68 2wqt s THR 186 Ca -0.09 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2wqt s THR 186 Cb -0.14 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 2wqt s THR 186 CO 0.04 0.28 -0.11 -0.60 -0.54 0.00 0.00 174.62 173.69 2wqt s ARG 187 N -1.73 3.37 -1.66 3.99 3.52 -0.38 -1.93 118.95 124.12 2wqt s ARG 187 Ca 0.19 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 2wqt s ARG 187 Cb -0.11 -2.72 0.10 0.00 -1.56 0.00 0.00 34.95 30.66 2wqt s ARG 187 CO 0.10 0.10 0.35 0.09 -0.81 0.00 0.00 175.30 175.13 2wqt n ASN 188 N 3.88 -0.67 0.00 -2.12 3.02 0.22 -1.74 115.26 117.84 2wqt n ASN 188 Ca -0.18 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 2wqt n ASN 188 Cb 0.52 -1.95 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 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 -2.74 -3.21 -4.12 6.41 3.02 -1.26 -5.04 115.26 108.31 2wqt n ASN 189 Ca -0.13 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.19 2wqt n ASN 189 Cb 0.59 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 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 -0.15 1.26 0.21 3.52 -1.05 -0.71 -5.03 118.70 116.74 2wqt s GLU 190 Ca 0.00 -0.54 -0.32 0.00 -0.15 0.00 0.00 54.97 53.96 2wqt s GLU 190 Cb 0.00 -1.20 -0.12 0.00 -0.44 0.00 0.00 34.13 32.37 2wqt s GLU 190 CO 0.00 0.31 1.73 -1.91 0.95 0.00 0.00 175.26 176.35 2wqt n GLU 191 N 2.76 2.79 0.00 -4.83 2.13 -1.26 -1.25 120.64 120.98 2wqt n GLU 191 Ca -0.15 1.01 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2wqt n GLU 191 Cb 0.55 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.40 2wqt n GLU 191 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2wqt n VAL 192 N 4.01 0.00 -3.52 6.31 0.24 0.11 -4.87 118.33 120.60 2wqt n VAL 192 Ca 0.16 -0.18 -0.18 0.00 -2.04 0.00 0.00 64.34 62.10 2wqt n VAL 192 Cb 0.35 0.73 -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 -0.81 -0.65 0.21 -1.34 0.15 -1.17 -4.94 113.70 105.16 2wqt s SER 193 Ca 0.00 0.71 -0.19 0.00 0.70 0.00 0.00 55.95 57.17 2wqt s SER 193 Cb 0.00 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2wqt s SER 193 CO 0.00 -0.61 0.58 -0.94 1.20 0.00 0.00 173.24 173.47 2wqt s SER 194 N -1.21 -0.30 0.00 5.45 1.04 -1.26 -1.05 113.70 116.37 2wqt s SER 194 Ca -0.11 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2wqt s SER 194 Cb -0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2wqt s SER 194 CO 0.10 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2wqt n GLY 195 N -0.38 -0.59 3.62 7.32 0.00 -0.89 -4.35 105.19 109.92 2wqt n GLY 195 Ca -0.09 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.57 1.51 0.44 1.61 1.70 -1.03 -0.73 118.95 121.89 2wqt s ARG 196 Ca 0.00 -0.72 0.22 0.00 -0.47 0.00 0.00 55.73 54.76 2wqt s ARG 196 Cb 0.00 0.59 1.21 0.00 -0.57 0.00 0.00 34.95 36.18 2wqt s ARG 196 CO 0.00 -0.68 1.83 0.78 -1.08 0.00 0.00 175.30 176.15 2wqt h GLY 197 N 2.01 0.75 2.00 3.88 0.00 -1.44 -1.77 103.07 108.50 2wqt h GLY 197 Ca -0.27 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2wqt h GLY 197 CO 0.31 -0.05 0.00 1.48 0.00 0.00 0.00 176.54 178.29 2wqt h SER 198 N 0.29 0.00 1.08 0.19 4.64 -1.65 -2.34 113.55 115.76 2wqt h SER 198 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2wqt h SER 198 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2wqt h SER 198 CO -0.17 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.17 2wqt n GLU 199 N -2.49 0.22 -3.28 4.77 1.02 -0.67 -2.25 120.64 117.97 2wqt n GLU 199 Ca 0.01 0.31 -0.44 0.00 -0.02 0.00 0.00 57.16 57.02 2wqt n GLU 199 Cb 0.22 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.81 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 2.35 -1.97 0.00 0.00 4.77 -0.73 -2.01 117.00 119.42 2wqt n LEU 201 Ca 0.24 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 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 0.52 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2wqt n GLY 202 N -1.32 2.71 3.65 -0.72 0.00 -0.95 -4.76 105.19 103.80 2wqt n GLY 202 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wqt n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wqt s HIS 203 N -0.82 -0.28 0.45 1.61 5.65 -0.85 -4.27 115.29 116.79 2wqt s HIS 203 Ca 0.00 0.56 0.21 0.00 0.25 0.00 0.00 55.06 56.08 2wqt s HIS 203 Cb 0.00 0.20 1.19 0.00 -1.18 0.00 0.00 32.58 32.79 2wqt s HIS 203 CO 0.00 -0.14 1.87 -1.35 -0.65 0.00 0.00 174.74 174.48 2wqt h PRO 204 N 5.31 0.28 0.00 2.88 0.11 -1.67 0.12 132.00 139.03 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 0.19 0.00 -0.07 -0.21 0.00 0.00 178.00 178.12 2wqt h LEU 205 N 0.29 0.00 -0.43 2.35 3.38 -1.93 -2.41 115.31 116.55 2wqt h LEU 205 Ca 0.45 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 2wqt h LEU 205 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2wqt h LEU 205 CO -0.13 0.00 -0.28 0.78 0.09 0.00 0.00 178.44 178.90 2wqt h ASN 206 N 0.00 1.00 -0.59 -0.43 2.35 -1.04 0.24 115.58 117.11 2wqt h ASN 206 Ca 0.00 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.31 2wqt h ASN 206 Cb 0.49 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2wqt h ASN 206 CO 0.00 1.21 0.30 0.00 -1.65 0.00 0.00 177.43 177.29 2wqt h ALA 207 N 0.82 0.75 -0.78 -0.83 0.00 -1.48 -0.09 119.26 117.66 2wqt h ALA 207 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2wqt h ALA 207 Cb 0.87 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2wqt h ALA 207 CO 0.08 0.30 0.29 0.00 0.00 0.00 0.00 179.25 179.92 2wqt h ALA 208 N 1.13 1.01 -0.01 0.00 0.00 -1.35 -1.13 119.26 118.91 2wqt h ALA 208 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wqt h ALA 208 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wqt h ALA 208 CO -0.03 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.16 2wqt h VAL 209 N 1.13 1.18 -0.61 0.00 2.07 -0.67 -0.21 116.25 119.14 2wqt h VAL 209 Ca 0.26 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2wqt h VAL 209 Cb 0.24 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 2wqt h VAL 209 CO -0.02 0.14 0.25 -0.25 0.02 0.00 0.00 177.57 177.71 2wqt h TRP 210 N -0.20 0.43 0.04 1.57 7.01 -0.89 -1.85 115.95 122.05 2wqt h TRP 210 Ca 0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2wqt h TRP 210 Cb 0.23 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2wqt h TRP 210 CO 0.00 0.13 -0.02 1.25 -2.79 0.00 0.00 178.44 177.01 2wqt h LEU 211 N 0.44 -0.04 -0.81 0.65 5.85 -1.05 -2.09 115.31 118.26 2wqt h LEU 211 Ca 0.30 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 59.00 2wqt h LEU 211 Cb 0.35 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 2wqt h LEU 211 CO -0.29 0.16 0.36 0.00 -0.34 0.00 0.00 178.44 178.33 2wqt h ALA 212 N 0.71 1.19 0.03 1.25 0.00 -0.63 -0.36 119.26 121.46 2wqt h ALA 212 Ca -0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 212 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wqt h ALA 212 CO 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.04 2wqt h ARG 213 N 0.49 -0.04 -0.10 0.00 3.08 -1.25 -2.02 114.38 114.53 2wqt h ARG 213 Ca 0.46 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.55 2wqt h ARG 213 Cb 0.72 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 2wqt h ARG 213 CO -0.42 0.27 -0.29 0.87 -1.07 0.00 0.00 179.97 179.33 2wqt h LYS 214 N -0.36 -0.37 -0.94 0.04 1.79 -0.77 -0.57 116.57 115.39 2wqt h LYS 214 Ca -0.00 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2wqt h LYS 214 Cb 0.33 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 2wqt h LYS 214 CO 0.01 -0.24 0.61 0.52 -1.08 0.00 0.00 179.45 179.26 2wqt h MET 215 N -0.38 1.14 -0.61 3.15 2.86 -1.09 -0.23 114.93 119.78 2wqt h MET 215 Ca 0.09 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2wqt h MET 215 Cb 0.51 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2wqt h MET 215 CO -0.31 0.76 0.13 0.00 1.06 0.00 0.00 176.91 178.54 2wqt h ALA 216 N 1.39 0.81 0.00 6.32 0.00 -0.97 -0.62 119.26 126.19 2wqt h ALA 216 Ca 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 216 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wqt h ALA 216 CO -0.12 0.54 -0.08 0.66 0.00 0.00 0.00 179.25 180.24 2wqt h SER 217 N 0.91 0.00 0.35 0.00 4.64 -0.29 -2.63 113.55 116.54 2wqt h SER 217 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2wqt h SER 217 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2wqt h SER 217 CO 0.01 0.08 -0.02 0.18 -0.87 0.00 0.00 176.83 176.21 2wqt n LEU 218 N -3.15 0.11 -0.26 5.97 4.32 -0.17 -4.91 117.00 118.91 2wqt n LEU 218 Ca 0.02 0.14 -0.03 0.00 -0.02 0.00 0.00 56.01 56.12 2wqt n LEU 218 Cb 0.47 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 42.08 2wqt n LEU 218 CO 0.32 0.02 -0.03 0.61 -1.22 0.00 0.00 177.39 177.09 2wqt n GLY 219 N 1.20 0.64 2.55 -0.72 0.00 -0.99 -4.97 105.19 102.90 2wqt n GLY 219 Ca 0.17 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.61 2.46 -1.68 1.61 1.02 -0.26 -5.03 120.64 116.16 2wqt n GLU 220 Ca -0.03 -4.49 -0.39 0.00 -0.02 0.00 0.00 57.16 52.22 2wqt n GLU 220 Cb 0.15 -2.10 0.04 0.00 -0.02 0.00 0.00 31.44 29.51 2wqt n GLU 220 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wqt n PRO 221 N 0.51 1.39 -1.79 3.49 -0.02 -1.18 -4.43 135.00 132.97 2wqt n PRO 221 Ca 0.29 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 2wqt n PRO 221 Cb 0.43 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.47 4.35 0.15 2.45 1.43 -1.26 -4.86 118.68 118.47 2wqt s LEU 222 Ca 0.71 2.94 -0.01 0.00 -1.03 0.00 0.00 54.13 56.75 2wqt s LEU 222 Cb -0.44 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 2wqt s LEU 222 CO 0.50 -0.90 0.33 -0.13 0.23 0.00 0.00 176.35 176.38 2wqt s ARG 223 N -0.55 3.50 0.26 1.70 0.52 -1.26 -1.21 118.95 121.90 2wqt s ARG 223 Ca 0.63 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 2wqt s ARG 223 Cb -0.47 -2.91 -0.14 0.00 0.52 0.00 0.00 34.95 31.95 2wqt s ARG 223 CO 0.48 0.48 1.30 -2.37 0.02 0.00 0.00 175.30 175.21 2wqt n THR 224 N -0.33 1.28 0.00 0.02 5.66 -1.22 -1.95 114.28 117.73 2wqt n THR 224 Ca -0.05 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2wqt n THR 224 Cb 0.53 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 1.75 2.23 3.73 1.09 0.00 -0.17 -4.91 105.19 108.91 2wqt n GLY 225 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 2.46 -4.76 1.61 10.43 -0.82 -4.63 116.55 120.83 2wqt n ASP 226 Ca 0.00 0.95 -0.36 0.00 2.57 0.00 0.00 54.79 57.95 2wqt n ASP 226 Cb 0.00 -1.56 -0.08 0.00 1.84 0.00 0.00 41.12 41.32 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 -1.31 4.82 -0.16 0.53 2.07 -0.21 -2.39 121.20 124.55 2wqt s ILE 227 Ca 0.73 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.93 2wqt s ILE 227 Cb -0.42 -3.07 0.02 0.00 0.13 0.00 0.00 42.46 39.13 2wqt s ILE 227 CO 0.48 0.60 -0.17 -0.63 -1.91 0.00 0.00 174.94 173.32 2wqt s ILE 228 N -0.87 1.77 -0.34 2.00 1.01 0.54 -1.95 121.20 123.37 2wqt s ILE 228 Ca 0.13 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 2wqt s ILE 228 Cb -0.12 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.73 2wqt s ILE 228 CO 0.03 0.49 0.68 -0.76 0.00 0.00 0.00 174.94 175.38 2wqt s LEU 229 N 1.39 4.18 0.00 2.97 1.43 -0.56 -0.88 118.68 127.20 2wqt s LEU 229 Ca 0.04 0.33 0.29 0.00 -1.03 0.00 0.00 54.13 53.77 2wqt s LEU 229 Cb -0.13 -2.88 1.36 0.00 0.03 0.00 0.00 46.19 44.57 2wqt s LEU 229 CO -0.11 -0.59 1.92 0.35 0.23 0.00 0.00 176.35 178.15 2wqt n THR 230 N 5.57 0.00 0.00 5.49 -2.24 -0.69 -0.32 114.28 122.09 2wqt n THR 230 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2wqt n THR 230 Cb 0.49 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.13 2.94 3.73 3.38 0.00 -1.22 -4.75 105.19 110.39 2wqt n GLY 231 Ca 0.20 -1.97 -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 -2.92 3.63 -0.29 4.61 0.00 -1.26 -4.32 121.76 121.21 2wqt s ALA 232 Ca 0.00 1.25 0.21 0.00 0.00 0.00 0.00 51.96 53.42 2wqt s ALA 232 Cb 0.00 -3.55 0.13 0.00 0.00 0.00 0.00 23.12 19.69 2wqt s ALA 232 CO 0.00 -0.68 1.30 -0.07 0.00 0.00 0.00 175.76 176.31 2wqt h LEU 233 N 5.84 0.00 -8.10 0.00 3.38 -1.42 -3.40 115.31 111.61 2wqt h LEU 233 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2wqt h LEU 233 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2wqt h LEU 233 CO 0.82 0.14 0.13 -0.83 0.09 0.00 0.00 178.44 178.79 2wqt s GLY 234 N -4.37 0.29 0.46 0.83 0.00 -1.26 -2.46 107.32 100.81 2wqt s GLY 234 Ca 0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 2wqt s GLY 234 CO 0.74 -0.34 1.37 -4.14 0.00 0.00 0.00 173.10 170.73 2wqt s PRO 235 N -3.49 3.65 0.63 2.90 0.02 -1.26 -4.68 135.00 132.76 2wqt s PRO 235 Ca 0.16 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.31 2wqt s PRO 235 Cb -0.04 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 2wqt s PRO 235 CO 0.10 -0.80 1.07 0.00 -0.33 0.00 0.00 177.00 177.04 2wqt s MET 236 N -2.51 3.08 0.09 5.54 0.23 -1.26 -4.81 119.30 119.66 2wqt s MET 236 Ca 0.62 1.21 0.05 0.00 -1.03 0.00 0.00 55.69 56.54 2wqt s MET 236 Cb -0.41 -2.00 -0.03 0.00 -1.53 0.00 0.00 34.83 30.86 2wqt s MET 236 CO 0.51 -1.01 -0.12 0.14 -2.03 0.00 0.00 175.02 172.51 2wqt s VAL 237 N -2.53 1.07 0.27 5.16 -7.23 -0.64 -4.95 120.40 111.54 2wqt s VAL 237 Ca 0.63 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2wqt s VAL 237 Cb -0.17 -1.23 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 2wqt s VAL 237 CO 0.42 -0.38 1.16 0.00 -0.31 0.00 0.00 175.10 175.98 2wqt s ALA 238 N -1.83 3.43 -0.15 1.32 0.00 -1.26 -1.53 121.76 121.74 2wqt s ALA 238 Ca 0.02 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2wqt s ALA 238 Cb -0.07 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2wqt s ALA 238 CO 0.02 -0.29 0.33 0.08 0.00 0.00 0.00 175.76 175.90 2wqt s VAL 239 N -0.92 5.28 0.23 0.00 1.01 -0.69 -4.89 120.40 120.42 2wqt s VAL 239 Ca 0.47 0.64 0.10 0.00 0.00 0.00 0.00 61.98 63.19 2wqt s VAL 239 Cb -0.33 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2wqt s VAL 239 CO 0.42 0.38 -0.08 0.20 0.00 0.00 0.00 175.10 176.01 2wqt s ASN 240 N 0.50 4.23 0.16 3.32 0.02 -1.26 -4.73 114.94 117.18 2wqt s ASN 240 Ca 0.19 -0.68 -0.33 0.00 -1.02 0.00 0.00 52.86 51.02 2wqt s ASN 240 Cb -0.13 -0.69 -0.16 0.00 0.02 0.00 0.00 41.25 40.29 2wqt s ASN 240 CO 0.05 0.06 1.11 0.00 0.02 0.00 0.00 177.10 178.34 2wqt n ALA 241 N -0.39 -1.17 -0.04 0.60 0.00 -1.26 -1.81 120.51 116.44 2wqt n ALA 241 Ca -0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wqt n ALA 241 Cb 0.57 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2wqt n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqt n GLY 242 N 1.96 2.82 3.76 0.00 0.00 0.42 -4.97 105.19 109.18 2wqt n GLY 242 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wqt n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wqt n ASP 243 N 0.00 3.82 -4.27 1.61 10.43 -0.75 -4.62 116.55 122.78 2wqt n ASP 243 Ca 0.00 1.20 -0.35 0.00 2.57 0.00 0.00 54.79 58.21 2wqt n ASP 243 Cb 0.00 -1.61 -0.14 0.00 1.84 0.00 0.00 41.12 41.21 2wqt n ASP 243 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wqt s ARG 244 N -1.51 3.17 -0.03 -1.24 3.52 -1.26 -0.93 118.95 120.66 2wqt s ARG 244 Ca 0.57 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 2wqt s ARG 244 Cb -0.48 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2wqt s ARG 244 CO 0.58 -0.28 0.04 -0.06 -0.81 0.00 0.00 175.30 174.77 2wqt s PHE 245 N 1.42 3.20 -0.09 5.12 0.40 0.53 -0.61 117.98 127.95 2wqt s PHE 245 Ca 0.04 0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.51 2wqt s PHE 245 Cb -0.15 -1.74 0.05 0.00 0.51 0.00 0.00 43.02 41.68 2wqt s PHE 245 CO -0.04 0.51 0.21 -2.00 0.70 0.00 0.00 175.22 174.61 2wqt s GLU 246 N -1.38 0.16 -0.01 0.44 2.12 -0.81 -1.02 118.70 118.19 2wqt s GLU 246 Ca 0.18 0.50 0.07 0.00 0.36 0.00 0.00 54.97 56.09 2wqt s GLU 246 Cb -0.12 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.11 2wqt s GLU 246 CO 0.09 -0.18 -0.23 0.00 -0.54 0.00 0.00 175.26 174.39 2wqt s ALA 247 N 1.38 2.31 -0.14 6.30 0.00 0.22 -0.51 121.76 131.33 2wqt s ALA 247 Ca -0.08 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2wqt s ALA 247 Cb -0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2wqt s ALA 247 CO -0.08 0.54 -0.16 -1.01 0.00 0.00 0.00 175.76 175.05 2wqt s HIS 248 N -0.70 2.75 -0.26 0.00 3.76 0.46 -1.62 115.29 119.68 2wqt s HIS 248 Ca 0.11 -0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 54.09 2wqt s HIS 248 Cb -0.10 -1.84 0.04 0.00 1.11 0.00 0.00 32.58 31.79 2wqt s HIS 248 CO 0.00 -0.38 -0.06 0.42 -0.85 0.00 0.00 174.74 173.87 2wqt s ILE 249 N 0.58 2.73 0.09 0.60 1.01 0.63 -1.89 121.20 124.95 2wqt s ILE 249 Ca -0.10 -1.22 -0.33 0.00 0.00 0.00 0.00 60.65 59.01 2wqt s ILE 249 Cb -0.16 -2.46 -0.12 0.00 0.01 0.00 0.00 42.46 39.73 2wqt s ILE 249 CO 0.03 0.10 1.75 1.21 0.00 0.00 0.00 174.94 178.03 2wqt n GLU 250 N 4.61 2.42 -0.61 2.79 2.13 0.18 -1.08 120.64 131.08 2wqt n GLU 250 Ca -0.15 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2wqt n GLU 250 Cb 0.45 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.45 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 3.95 1.70 0.90 8.31 0.00 -1.26 -4.51 105.19 114.28 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 0.62 -0.33 -0.61 5.41 -0.31 -4.84 119.36 117.30 2wqt n ILE 252 Ca 0.00 0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2wqt n ILE 252 Cb 0.00 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 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 2.95 -0.06 3.21 7.39 0.00 -0.24 -4.02 105.19 114.41 2wqt n GLY 253 Ca -0.05 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.06 0.03 1.61 1.04 -0.63 -0.27 113.70 111.41 2wqt s SER 254 Ca 0.00 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.27 2wqt s SER 254 Cb 0.00 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 2wqt s SER 254 CO 0.00 -0.52 -0.11 -0.69 0.98 0.00 0.00 173.24 172.90 2wqt s VAL 255 N -2.12 0.82 0.04 5.02 1.01 -0.64 -2.79 120.40 121.75 2wqt s VAL 255 Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2wqt s VAL 255 Cb -0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2wqt s VAL 255 CO -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 175.10 174.98 2wqt s ALA 256 N -0.75 0.67 -0.08 5.51 0.00 -1.26 -0.61 121.76 125.25 2wqt s ALA 256 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 2wqt s ALA 256 Cb -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2wqt s ALA 256 CO 0.01 0.04 0.31 0.00 0.00 0.00 0.00 175.76 176.12 2wqt s ALA 257 N -1.17 -0.78 -0.02 0.00 0.00 -0.19 -0.62 121.76 118.98 2wqt s ALA 257 Ca -0.07 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.61 2wqt s ALA 257 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2wqt s ALA 257 CO 0.01 -0.20 -0.22 0.99 0.00 0.00 0.00 175.76 176.33 2wqt s THR 258 N -0.47 1.78 -0.10 0.00 2.01 -1.03 -0.34 115.64 117.49 2wqt s THR 258 Ca -0.06 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 2wqt s THR 258 Cb -0.04 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2wqt s THR 258 CO 0.02 0.50 0.11 -0.36 -0.69 0.00 0.00 174.62 174.20 2wqt s PHE 259 N -0.47 3.49 0.00 4.92 0.08 -0.10 -0.28 117.98 125.61 2wqt s PHE 259 Ca 0.07 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.55 2wqt s PHE 259 Cb -0.09 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2wqt s PHE 259 CO -0.00 0.67 0.00 -1.13 -0.10 0.00 0.00 175.22 174.65 2wqt n SER 260 N 1.88 -0.17 -0.30 1.36 3.41 -0.34 -2.13 113.62 117.33 2wqt n SER 260 Ca -0.19 -0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.36 2wqt n SER 260 Cb 0.54 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2wqt n SER 260 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68