#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 0.16 -0.01 3.23 2.86 -2.08 -3.37 114.93 115.72 2wqt h MET 1 Ca 0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2wqt h MET 1 Cb 0.00 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2wqt h MET 1 CO 0.00 1.13 -0.05 0.25 1.06 0.00 0.00 176.91 179.30 2wqt n THR 2 N -4.21 0.00 -0.29 2.22 -2.24 -1.26 -4.35 114.28 104.15 2wqt n THR 2 Ca -0.20 -0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 2wqt n THR 2 Cb 0.75 0.43 0.14 0.00 -2.10 0.00 0.00 70.33 69.55 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 2.01 1.16 -0.46 -0.78 3.64 -2.00 0.53 116.57 120.67 2wqt h LYS 3 Ca 0.00 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2wqt h LYS 3 Cb 0.48 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2wqt h LYS 3 CO 0.00 0.84 0.14 1.25 -2.27 0.00 0.00 179.45 179.41 2wqt h HIS 4 N 1.17 0.75 -0.92 1.91 2.76 -1.85 -1.69 115.15 117.28 2wqt h HIS 4 Ca 0.30 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2wqt h HIS 4 Cb 0.00 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 2wqt h HIS 4 CO 0.01 0.67 0.59 1.15 -1.30 0.00 0.00 177.93 179.05 2wqt h THR 5 N 0.62 1.24 -0.34 6.26 2.02 -1.64 -1.86 112.91 119.21 2wqt h THR 5 Ca 0.15 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2wqt h THR 5 Cb 0.28 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2wqt h THR 5 CO -0.00 0.24 0.21 -0.07 0.37 0.00 0.00 175.52 176.27 2wqt h LEU 6 N 1.26 0.41 -0.80 2.58 4.07 -0.62 -0.62 115.31 121.59 2wqt h LEU 6 Ca 0.34 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.31 2wqt h LEU 6 Cb -0.11 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.46 2wqt h LEU 6 CO -0.07 0.34 0.48 -0.33 -1.08 0.00 0.00 178.44 177.78 2wqt h GLU 7 N 0.45 0.83 -0.20 1.13 4.39 -0.99 0.29 114.58 120.47 2wqt h GLU 7 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2wqt h GLU 7 Cb 0.01 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2wqt h GLU 7 CO -0.02 0.55 0.10 1.96 -1.16 0.00 0.00 179.01 180.44 2wqt h GLN 8 N 0.85 0.29 -0.59 2.33 4.20 -0.85 -1.54 115.11 119.81 2wqt h GLN 8 Ca 0.36 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.94 2wqt h GLN 8 Cb 0.22 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2wqt h GLN 8 CO -0.19 0.31 0.02 -0.07 -0.67 0.00 0.00 178.83 178.22 2wqt h LEU 9 N 0.21 1.01 -0.60 1.46 3.38 -0.84 -1.00 115.31 118.94 2wqt h LEU 9 Ca 0.07 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2wqt h LEU 9 Cb 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2wqt h LEU 9 CO -0.01 1.06 0.31 0.00 0.09 0.00 0.00 178.44 179.90 2wqt h ALA 10 N 0.99 0.78 -0.74 1.53 0.00 -0.85 -1.23 119.26 119.73 2wqt h ALA 10 Ca 0.17 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2wqt h ALA 10 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2wqt h ALA 10 CO 0.03 -0.03 0.22 0.00 0.00 0.00 0.00 179.25 179.47 2wqt h ALA 11 N 1.32 0.99 -0.72 0.00 0.00 -0.95 -1.70 119.26 118.21 2wqt h ALA 11 Ca 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2wqt h ALA 11 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2wqt h ALA 11 CO -0.18 0.67 0.46 -0.44 0.00 0.00 0.00 179.25 179.75 2wqt h ASP 12 N 1.10 0.75 -0.25 0.00 3.32 -0.52 -0.68 116.42 120.15 2wqt h ASP 12 Ca 0.24 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2wqt h ASP 12 Cb 0.32 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2wqt h ASP 12 CO -0.01 0.53 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.91 2wqt h LEU 13 N 0.90 0.59 -0.27 1.55 4.07 -0.91 -0.75 115.31 120.49 2wqt h LEU 13 Ca 0.28 -0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.99 2wqt h LEU 13 Cb -0.00 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 2wqt h LEU 13 CO -0.10 0.70 -0.29 0.03 -1.08 0.00 0.00 178.44 177.69 2wqt h ARG 14 N 0.57 0.67 -0.58 1.13 3.08 -0.72 -2.64 114.38 115.90 2wqt h ARG 14 Ca 0.11 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 2wqt h ARG 14 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2wqt h ARG 14 CO 0.02 0.97 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.78 2wqt h ARG 15 N 0.39 1.02 -0.37 0.04 2.43 -1.01 -1.41 114.38 115.48 2wqt h ARG 15 Ca 0.04 -0.33 0.07 0.00 -0.81 0.00 0.00 59.98 58.95 2wqt h ARG 15 Cb 0.86 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 2wqt h ARG 15 CO 0.07 1.01 -0.04 0.00 -1.51 0.00 0.00 179.97 179.50 2wqt h ALA 16 N 1.03 0.29 -0.15 2.80 0.00 -1.06 -0.95 119.26 121.23 2wqt h ALA 16 Ca 0.16 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wqt h ALA 16 Cb 0.57 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wqt h ALA 16 CO 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 179.25 178.89 2wqt h ALA 17 N 1.34 0.20 -0.79 0.00 0.00 -1.20 -1.07 119.26 117.74 2wqt h ALA 17 Ca 0.18 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2wqt h ALA 17 Cb 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2wqt h ALA 17 CO -0.34 -0.17 0.52 0.93 0.00 0.00 0.00 179.25 180.19 2wqt h GLU 18 N 0.05 0.65 0.00 0.00 5.08 -0.95 -2.99 114.58 116.42 2wqt h GLU 18 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wqt h GLU 18 Cb 0.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2wqt h GLU 18 CO 0.00 0.43 -1.17 1.04 -1.00 0.00 0.00 179.01 178.32 2wqt n GLN 19 N -4.51 0.20 -2.76 2.33 6.02 -0.39 -4.97 117.38 113.31 2wqt n GLN 19 Ca 0.14 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 2wqt n GLN 19 Cb 0.37 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 30.12 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 -0.44 2.97 1.08 0.00 -0.44 -5.00 105.19 104.78 2wqt n GLY 20 Ca 0.02 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.39 1.94 0.47 1.61 2.02 -0.98 -5.06 118.70 113.30 2wqt s GLU 21 Ca 0.18 -0.63 -0.22 0.00 0.02 0.00 0.00 54.97 54.33 2wqt s GLU 21 Cb -0.08 -2.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.92 2wqt s GLU 21 CO 0.23 -0.35 1.09 0.00 0.02 0.00 0.00 175.26 176.24 2wqt s ALA 22 N 1.51 2.92 0.43 5.21 0.00 -1.26 -4.45 121.76 126.11 2wqt s ALA 22 Ca 0.02 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.80 2wqt s ALA 22 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2wqt s ALA 22 CO -0.09 -0.46 0.34 0.96 0.00 0.00 0.00 175.76 176.52 2wqt s ILE 23 N -1.76 2.45 0.54 0.00 -4.36 -0.00 -4.64 121.20 113.44 2wqt s ILE 23 Ca 0.65 -1.44 -0.19 0.00 -0.26 0.00 0.00 60.65 59.41 2wqt s ILE 23 Cb -0.22 -2.89 -0.06 0.00 1.25 0.00 0.00 42.46 40.54 2wqt s ILE 23 CO 0.27 0.00 1.09 0.00 0.24 0.00 0.00 174.94 176.54 2wqt s ALA 24 N -2.54 2.73 0.45 2.27 0.00 -1.26 -0.21 121.76 123.21 2wqt s ALA 24 Ca 0.45 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 2wqt s ALA 24 Cb -0.01 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2wqt s ALA 24 CO 0.26 -0.67 1.01 -2.30 0.00 0.00 0.00 175.76 174.06 2wqt n PRO 25 N -1.36 1.31 0.02 0.00 -0.02 -1.26 -4.87 135.00 128.81 2wqt n PRO 25 Ca 0.10 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 2wqt n PRO 25 Cb 0.52 -2.08 0.31 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.29 0.45 -0.25 2.45 4.32 -1.26 -4.60 117.00 118.41 2wqt n LEU 26 Ca 0.10 0.16 0.01 0.00 -0.02 0.00 0.00 56.01 56.26 2wqt n LEU 26 Cb 0.41 -0.29 0.13 0.00 -1.62 0.00 0.00 43.42 42.05 2wqt n LEU 26 CO 0.56 0.05 1.07 0.08 -1.22 0.00 0.00 177.39 177.93 2wqt h ARG 27 N 0.00 0.60 0.00 3.23 0.11 -1.93 -1.21 114.38 115.19 2wqt h ARG 27 Ca 0.00 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 2wqt h ARG 27 Cb 0.56 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2wqt h ARG 27 CO 0.00 0.40 -0.48 -0.44 0.10 0.00 0.00 179.97 179.55 2wqt h ASP 28 N 0.62 0.00 1.22 0.08 3.32 -1.92 0.30 116.42 120.05 2wqt h ASP 28 Ca 0.35 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.28 2wqt h ASP 28 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2wqt h ASP 28 CO -0.26 0.48 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.12 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.54 -3.34 115.31 116.05 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 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2wqt h LEU 29 CO 0.06 0.56 -1.12 2.30 -1.08 0.00 0.00 178.44 179.16 2wqt n ILE 30 N -3.34 0.00 -0.01 1.22 -5.35 -1.02 -5.10 119.36 105.75 2wqt n ILE 30 Ca 0.01 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2wqt n ILE 30 Cb 0.71 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2wqt n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wqt n GLY 31 N 1.65 1.31 0.47 3.28 0.00 0.10 -4.53 105.19 107.48 2wqt n GLY 31 Ca -0.01 -1.27 0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 0.45 -1.00 -0.61 2.10 -1.89 -0.66 117.51 115.89 2wqt h ILE 32 Ca 0.00 -0.06 -0.53 0.00 1.08 0.00 0.00 64.86 65.35 2wqt h ILE 32 Cb 0.00 0.26 -0.42 0.00 -1.09 0.00 0.00 36.82 35.57 2wqt h ILE 32 CO 0.00 0.03 -0.83 -0.90 -1.08 0.00 0.00 178.15 175.38 2wqt n ASP 33 N -4.40 4.48 -4.30 2.19 5.75 -1.26 -4.52 116.55 114.49 2wqt n ASP 33 Ca 0.26 -3.58 -0.44 0.00 -0.01 0.00 0.00 54.79 51.02 2wqt n ASP 33 Cb 1.09 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 5.41 -0.15 -1.12 2.85 -0.26 -4.84 115.26 116.55 2wqt n ASN 34 Ca 0.38 -3.06 -0.08 0.00 -0.11 0.00 0.00 54.58 51.72 2wqt n ASN 34 Cb 0.85 -1.47 0.01 0.00 1.24 0.00 0.00 39.78 40.40 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 6.63 0.58 -0.80 5.20 0.00 -1.90 -2.76 119.26 126.20 2wqt h ALA 35 Ca 0.28 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2wqt h ALA 35 Cb 0.81 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2wqt h ALA 35 CO 1.24 0.06 0.40 1.49 0.00 0.00 0.00 179.25 182.43 2wqt h GLU 36 N 0.60 0.59 -0.28 0.00 4.81 -2.00 -1.46 114.58 116.84 2wqt h GLU 36 Ca 0.16 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 2wqt h GLU 36 Cb -0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2wqt h GLU 36 CO -0.03 0.39 -0.31 0.00 -0.73 0.00 0.00 179.01 178.33 2wqt h ALA 37 N 1.52 0.42 -0.47 2.92 0.00 -1.91 -1.77 119.26 119.96 2wqt h ALA 37 Ca 0.43 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2wqt h ALA 37 Cb 0.57 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2wqt h ALA 37 CO -0.34 0.45 0.22 0.00 0.00 0.00 0.00 179.25 179.58 2wqt h ALA 38 N 0.70 0.60 -0.28 0.00 0.00 -1.13 -0.89 119.26 118.25 2wqt h ALA 38 Ca 0.04 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2wqt h ALA 38 Cb 0.88 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2wqt h ALA 38 CO 0.08 -0.14 -0.09 1.88 0.00 0.00 0.00 179.25 180.97 2wqt h TYR 39 N 0.44 0.48 -0.59 0.00 -1.99 -1.25 -2.14 116.97 111.92 2wqt h TYR 39 Ca 0.21 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 2wqt h TYR 39 Cb 0.15 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 2wqt h TYR 39 CO -0.12 0.54 0.01 0.00 -0.00 0.00 0.00 178.16 178.60 2wqt h ALA 40 N 1.48 0.90 -0.15 3.88 0.00 -0.65 -0.32 119.26 124.39 2wqt h ALA 40 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2wqt h ALA 40 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wqt h ALA 40 CO 0.02 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.81 2wqt h ILE 41 N 0.94 1.15 -0.62 0.00 2.04 -0.89 0.12 117.51 120.25 2wqt h ILE 41 Ca 0.17 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.67 2wqt h ILE 41 Cb 0.53 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 2wqt h ILE 41 CO 0.03 0.14 0.27 -0.61 0.00 0.00 0.00 178.15 177.98 2wqt h GLN 42 N 0.10 0.47 -0.37 2.37 4.15 -1.25 -2.42 115.11 118.16 2wqt h GLN 42 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2wqt h GLN 42 Cb 0.16 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2wqt h GLN 42 CO -0.00 0.31 0.19 1.25 -1.93 0.00 0.00 178.83 178.65 2wqt h HIS 43 N 0.49 0.52 -0.51 3.99 2.76 -0.81 -0.66 115.15 120.93 2wqt h HIS 43 Ca 0.30 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.55 2wqt h HIS 43 Cb 0.32 -0.16 -0.09 0.00 1.55 0.00 0.00 27.41 29.03 2wqt h HIS 43 CO -0.14 0.43 -0.04 0.82 -1.30 0.00 0.00 177.93 177.71 2wqt h ILE 44 N 0.47 0.56 -0.09 6.26 1.08 -0.62 0.62 117.51 125.80 2wqt h ILE 44 Ca 0.13 -0.03 -0.15 0.00 -0.39 0.00 0.00 64.86 64.42 2wqt h ILE 44 Cb 0.09 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2wqt h ILE 44 CO -0.02 0.01 -0.60 0.78 -0.69 0.00 0.00 178.15 177.64 2wqt h ASN 45 N 0.08 0.34 -0.25 1.72 2.35 -1.06 -0.45 115.58 118.31 2wqt h ASN 45 Ca 0.26 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2wqt h ASN 45 Cb 0.39 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2wqt h ASN 45 CO -0.46 0.86 -0.01 0.58 -1.65 0.00 0.00 177.43 176.74 2wqt h VAL 46 N 0.22 1.26 -0.94 2.81 2.07 -0.75 -2.37 116.25 118.56 2wqt h VAL 46 Ca -0.00 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2wqt h VAL 46 Cb 1.11 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2wqt h VAL 46 CO 0.10 0.30 0.58 -0.61 0.02 0.00 0.00 177.57 177.95 2wqt h GLN 47 N 0.22 1.27 -0.19 1.57 5.75 -0.65 -0.35 115.11 122.73 2wqt h GLN 47 Ca 0.07 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2wqt h GLN 47 Cb 0.44 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2wqt h GLN 47 CO 0.02 0.88 0.08 1.25 -2.65 0.00 0.00 178.83 178.40 2wqt h HIS 48 N 1.29 0.29 -0.51 3.99 2.76 -1.05 -2.30 115.15 119.62 2wqt h HIS 48 Ca 0.34 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.40 2wqt h HIS 48 Cb -0.08 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 2wqt h HIS 48 CO 0.00 0.33 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.48 2wqt h ASP 49 N 0.17 0.88 -0.83 3.26 3.32 -0.98 -2.84 116.42 119.39 2wqt h ASP 49 Ca 0.06 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2wqt h ASP 49 Cb 0.16 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2wqt h ASP 49 CO -0.01 0.96 0.42 0.58 -1.72 0.00 0.00 179.24 179.48 2wqt h VAL 50 N 0.82 1.25 0.00 -1.35 2.07 -0.99 -1.37 116.25 116.68 2wqt h VAL 50 Ca 0.15 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2wqt h VAL 50 Cb 0.55 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2wqt h VAL 50 CO 0.03 0.29 -0.02 0.00 0.02 0.00 0.00 177.57 177.89 2wqt h ALA 51 N 1.29 1.11 -0.53 1.67 0.00 -1.17 0.83 119.26 122.45 2wqt h ALA 51 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wqt h ALA 51 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wqt h ALA 51 CO -0.04 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.28 2wqt n GLN 52 N -3.27 2.47 -0.56 0.00 6.02 -0.59 -4.94 117.38 116.52 2wqt n GLN 52 Ca -0.02 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 2wqt n GLN 52 Cb 0.15 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.90 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 1.26 0.74 3.75 1.08 0.00 0.29 -5.04 105.19 107.25 2wqt n GLY 53 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2wqt n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wqt s ARG 54 N -0.44 4.36 -0.25 1.61 3.52 -0.79 -4.99 118.95 121.97 2wqt s ARG 54 Ca 0.00 2.14 -0.09 0.00 -0.13 0.00 0.00 55.73 57.65 2wqt s ARG 54 Cb 0.00 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 2wqt s ARG 54 CO 0.00 -0.26 0.12 0.50 -0.81 0.00 0.00 175.30 174.85 2wqt s ARG 55 N -0.56 3.83 0.08 5.12 3.52 -1.26 -4.29 118.95 125.39 2wqt s ARG 55 Ca 0.55 -0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.46 2wqt s ARG 55 Cb -0.38 -3.46 -0.06 0.00 -1.56 0.00 0.00 34.95 29.49 2wqt s ARG 55 CO 0.42 -0.12 1.22 0.08 -0.81 0.00 0.00 175.30 176.09 2wqt s VAL 56 N 1.51 3.91 -0.10 7.11 1.01 -1.26 -1.06 120.40 131.51 2wqt s VAL 56 Ca 0.06 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.46 2wqt s VAL 56 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2wqt s VAL 56 CO 0.06 0.12 0.11 1.33 0.00 0.00 0.00 175.10 176.72 2wqt n VAL 57 N 3.81 0.00 -3.72 2.92 0.24 -0.15 -4.86 118.33 116.58 2wqt n VAL 57 Ca 0.09 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2wqt n VAL 57 Cb 0.46 0.83 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 1.44 -0.51 3.24 7.63 0.00 -1.21 -1.10 105.19 114.68 2wqt n GLY 58 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.45 1.04 -0.06 1.61 1.81 -0.79 -1.11 118.95 120.01 2wqt s ARG 59 Ca 0.00 -1.45 0.04 0.00 -1.72 0.00 0.00 55.73 52.60 2wqt s ARG 59 Cb 0.00 -0.53 -0.02 0.00 -0.45 0.00 0.00 34.95 33.95 2wqt s ARG 59 CO 0.00 0.04 -0.19 0.21 -0.68 0.00 0.00 175.30 174.68 2wqt s LYS 60 N -3.78 2.59 -0.19 3.54 2.36 0.20 -1.60 119.74 122.86 2wqt s LYS 60 Ca 0.17 -0.79 -0.09 0.00 -2.55 0.00 0.00 55.97 52.71 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 0.00 0.48 0.11 0.08 1.55 0.00 0.00 175.35 177.58 2wqt s VAL 61 N -0.39 5.25 0.41 4.02 1.01 0.45 -1.25 120.40 129.90 2wqt s VAL 61 Ca 0.04 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2wqt s VAL 61 Cb -0.12 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2wqt s VAL 61 CO 0.02 0.46 0.04 -0.83 0.00 0.00 0.00 175.10 174.79 2wqt s GLY 62 N 0.25 2.52 -1.17 4.51 0.00 -0.16 -3.46 107.32 109.82 2wqt s GLY 62 Ca 0.07 -1.62 -0.18 0.00 0.00 0.00 0.00 44.72 42.99 2wqt s GLY 62 CO -0.01 -2.00 0.76 1.04 0.00 0.00 0.00 173.10 172.89 2wqt n LEU 63 N -0.95 -2.82 -0.06 0.66 4.77 -1.26 -1.33 117.00 116.02 2wqt n LEU 63 Ca -0.08 -1.01 0.10 0.00 -0.03 0.00 0.00 56.01 55.00 2wqt n LEU 63 Cb 0.67 -2.39 -0.06 0.00 -2.33 0.00 0.00 43.42 39.30 2wqt n LEU 63 CO 0.42 0.46 0.05 0.35 -1.33 0.00 0.00 177.39 177.35 2wqt n THR 64 N -4.20 0.00 -3.11 -5.08 -2.24 -1.26 -4.16 114.28 94.23 2wqt n THR 64 Ca -0.12 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 2wqt n THR 64 Cb 0.60 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.94 3.34 0.62 4.78 3.76 -1.26 -2.03 115.29 121.57 2wqt s HIS 65 Ca 0.10 0.90 0.35 0.00 -0.15 0.00 0.00 55.06 56.26 2wqt s HIS 65 Cb 0.16 -2.82 2.01 0.00 1.11 0.00 0.00 32.58 33.05 2wqt s HIS 65 CO 0.81 -0.23 2.27 -1.35 -0.85 0.00 0.00 174.74 175.39 2wqt h PRO 66 N 7.62 0.00 0.97 8.40 0.11 -1.88 -1.43 132.00 145.78 2wqt h PRO 66 Ca -0.30 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 0.78 0.00 -0.46 0.87 -0.21 0.00 0.00 178.00 178.97 2wqt h LYS 67 N 0.00 -1.25 -0.59 1.05 1.57 -1.98 -2.47 116.57 112.91 2wqt h LYS 67 Ca 0.01 0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 2wqt h LYS 67 Cb 0.07 0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2wqt h LYS 67 CO -0.00 -0.83 0.39 0.28 -0.57 0.00 0.00 179.45 178.72 2wqt h VAL 68 N -1.31 0.96 -0.12 0.50 2.07 -1.80 -1.75 116.25 114.81 2wqt h VAL 68 Ca -0.13 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wqt h VAL 68 Cb 0.99 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2wqt h VAL 68 CO 0.22 0.09 0.07 1.56 0.02 0.00 0.00 177.57 179.53 2wqt h GLN 69 N 0.50 0.17 -0.01 1.57 4.20 -1.28 -2.98 115.11 117.28 2wqt h GLN 69 Ca 0.26 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2wqt h GLN 69 Cb 0.37 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2wqt h GLN 69 CO -0.08 0.16 0.00 1.96 -0.67 0.00 0.00 178.83 180.21 2wqt h GLN 70 N 0.13 0.02 0.00 1.46 1.08 -0.96 -0.63 115.11 116.22 2wqt h GLN 70 Ca 0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2wqt h GLN 70 Cb 0.03 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2wqt h GLN 70 CO -0.01 0.25 0.02 0.94 -0.95 0.00 0.00 178.83 179.08 2wqt n GLN 71 N -4.96 0.00 0.00 1.46 7.27 -0.70 -1.19 117.38 119.26 2wqt n GLN 71 Ca -0.07 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2wqt n GLN 71 Cb 0.14 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.27 2wqt n GLN 71 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wqt n LEU 72 N -1.09 0.69 0.00 1.69 4.32 -1.05 -5.04 117.00 116.52 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 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2wqt n LEU 72 CO 0.00 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 2wqt n GLY 73 N -0.11 0.72 3.34 -0.72 0.00 -0.33 -4.24 105.19 103.85 2wqt n GLY 73 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2wqt n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wqt s VAL 74 N -2.00 0.83 0.00 1.61 -7.23 -0.29 -5.01 120.40 108.31 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 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2wqt s VAL 74 CO 0.00 -0.15 0.85 -0.90 -0.31 0.00 0.00 175.10 174.59 2wqt n ASP 75 N -0.47 1.59 -4.72 4.85 5.68 -1.26 -3.64 116.55 118.58 2wqt n ASP 75 Ca -0.03 -1.71 -0.30 0.00 -0.50 0.00 0.00 54.79 52.25 2wqt n ASP 75 Cb 0.65 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.56 2wqt n ASP 75 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2wqt s GLN 76 N -0.71 2.64 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.78 2wqt s GLN 76 Ca 0.00 -0.83 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 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 0.53 0.00 -0.35 -0.25 0.00 0.00 175.29 175.22 2wqt n PRO 77 N 0.40 2.09 -3.86 2.91 -0.04 -1.26 -4.95 135.00 130.29 2wqt n PRO 77 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2wqt n PRO 77 Cb 0.52 0.00 -0.11 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 0.05 3.54 3.68 -0.44 -4.96 116.67 117.52 2wqt s ASP 78 Ca 0.00 -0.10 0.03 0.00 2.13 0.00 0.00 52.55 54.61 2wqt s ASP 78 Cb 0.00 0.23 -0.02 0.00 -1.45 0.00 0.00 42.92 41.67 2wqt s ASP 78 CO 0.00 -0.29 -0.09 0.72 0.13 0.00 0.00 175.17 175.63 2wqt s PHE 79 N -1.05 0.82 0.24 -5.34 -0.71 -1.26 -0.99 117.98 109.70 2wqt s PHE 79 Ca -0.11 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.34 2wqt s PHE 79 Cb -0.06 -0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 41.22 2wqt s PHE 79 CO 0.01 -0.04 0.05 0.20 -1.34 0.00 0.00 175.22 174.11 2wqt s GLY 80 N -1.49 1.61 -0.13 1.99 0.00 -0.38 -4.37 107.32 104.55 2wqt s GLY 80 Ca -0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.81 2wqt s GLY 80 CO 0.01 -1.61 0.02 -1.59 0.00 0.00 0.00 173.10 169.93 2wqt s THR 81 N -3.64 4.42 -0.12 0.90 2.01 -1.26 -0.63 115.64 117.32 2wqt s THR 81 Ca 0.33 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2wqt s THR 81 Cb 0.07 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2wqt s THR 81 CO 0.11 0.54 0.03 -0.76 -0.69 0.00 0.00 174.62 173.85 2wqt s LEU 82 N -0.30 3.71 0.09 4.42 1.43 -0.27 -4.90 118.68 122.86 2wqt s LEU 82 Ca 0.07 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 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 0.31 -0.09 -0.36 0.23 0.00 0.00 176.35 176.46 2wqt s PHE 83 N -0.48 2.77 0.29 0.29 0.08 -1.26 -0.98 117.98 118.69 2wqt s PHE 83 Ca 0.09 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.04 2wqt s PHE 83 Cb -0.12 -1.47 0.73 0.00 -0.57 0.00 0.00 43.02 41.60 2wqt s PHE 83 CO 0.02 0.42 1.68 0.00 -0.10 0.00 0.00 175.22 177.24 2wqt h ALA 84 N 3.75 1.41 0.00 5.36 0.00 -1.43 0.18 119.26 128.53 2wqt h ALA 84 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wqt h ALA 84 Cb 1.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wqt h ALA 84 CO 0.53 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 2wqt n ASP 85 N -5.08 0.00 0.00 0.00 5.75 -1.26 -1.92 116.55 114.04 2wqt n ASP 85 Ca 0.22 0.33 0.14 0.00 -0.01 0.00 0.00 54.79 55.47 2wqt n ASP 85 Cb 0.67 -0.41 0.54 0.00 -1.03 0.00 0.00 41.12 40.89 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 -1.41 0.01 -3.21 0.11 2.81 0.62 -4.84 117.12 111.21 2wqt n MET 86 Ca 0.05 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 2wqt n MET 86 Cb 0.14 -1.51 -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 2.41 3.43 0.70 0.00 2.02 0.43 -4.99 117.35 121.35 2wqt s TYR 88 Ca 0.21 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.13 2wqt s TYR 88 Cb -0.15 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2wqt s TYR 88 CO 0.12 0.62 1.08 0.20 -1.57 0.00 0.00 175.55 175.99 2wqt s GLY 89 N -1.50 1.64 0.23 0.71 0.00 -1.26 -1.88 107.32 105.26 2wqt s GLY 89 Ca 0.21 -0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.42 2wqt s GLY 89 CO 0.11 0.15 1.34 1.34 0.00 0.00 0.00 173.10 176.04 2wqt n ASP 90 N -3.05 2.41 -2.43 1.64 4.64 -0.40 -2.82 116.55 116.54 2wqt n ASP 90 Ca 0.07 1.15 -0.18 0.00 -1.38 0.00 0.00 54.79 54.44 2wqt n ASP 90 Cb 0.56 -1.38 0.02 0.00 -1.04 0.00 0.00 41.12 39.28 2wqt n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 91 N 2.02 -5.33 -4.87 1.67 4.05 0.36 -4.96 115.26 108.20 2wqt n ASN 91 Ca 0.12 -0.19 -0.21 0.00 0.45 0.00 0.00 54.58 54.74 2wqt n ASN 91 Cb 0.30 -4.23 0.07 0.00 1.23 0.00 0.00 39.78 37.16 2wqt n ASN 91 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2wqt s GLU 92 N -5.37 2.15 -0.23 1.20 2.12 -1.13 -4.89 118.70 112.56 2wqt s GLU 92 Ca 0.20 -1.18 -0.08 0.00 0.36 0.00 0.00 54.97 54.27 2wqt s GLU 92 Cb -0.09 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 2wqt s GLU 92 CO 0.25 -1.01 0.08 0.42 -0.54 0.00 0.00 175.26 174.46 2wqt s ILE 93 N -2.85 4.59 -0.20 -3.70 1.01 -1.26 -2.40 121.20 116.38 2wqt s ILE 93 Ca 0.62 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 2wqt s ILE 93 Cb -0.07 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 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 1.26 5.38 0.13 2.92 1.01 0.88 -4.94 121.20 127.84 2wqt s ILE 94 Ca 0.05 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 2wqt s ILE 94 Cb -0.15 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 2wqt s ILE 94 CO 0.04 0.41 1.74 -2.84 0.00 0.00 0.00 174.94 174.28 2wqt s PRO 95 N 0.56 4.16 0.46 2.79 0.02 -1.26 -1.11 135.00 140.62 2wqt s PRO 95 Ca 0.09 2.50 0.13 0.00 0.02 0.00 0.00 61.00 63.75 2wqt s PRO 95 Cb -0.12 -3.46 1.07 0.00 0.02 0.00 0.00 34.50 32.01 2wqt s PRO 95 CO 0.01 -0.77 2.05 0.35 -0.33 0.00 0.00 177.00 178.30 2wqt h PHE 96 N 8.04 0.31 0.00 6.54 3.57 -1.90 -1.67 116.94 131.83 2wqt h PHE 96 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2wqt h PHE 96 Cb 1.21 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2wqt h PHE 96 CO 0.75 0.17 0.00 -1.13 -2.23 0.00 0.00 178.31 175.87 2wqt n SER 97 N -4.48 0.53 -0.18 0.41 3.41 -1.26 -3.90 113.62 108.15 2wqt n SER 97 Ca 0.04 0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 59.19 2wqt n SER 97 Cb 0.22 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.50 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 0.61 -5.18 4.33 9.65 -1.68 -3.42 114.38 118.69 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 0.51 -0.14 -0.26 0.00 -1.39 0.00 0.00 29.97 28.69 2wqt h ARG 98 CO 0.00 0.40 -0.72 0.08 2.80 0.00 0.00 179.97 182.53 2wqt s VAL 99 N -6.14 3.43 -0.15 0.20 1.01 -1.25 -5.05 120.40 112.44 2wqt s VAL 99 Ca -0.13 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2wqt s VAL 99 Cb 0.13 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2wqt s VAL 99 CO 0.74 0.47 1.07 -0.22 0.00 0.00 0.00 175.10 177.16 2wqt s LEU 100 N 0.82 4.19 -0.99 3.92 2.96 -1.26 -3.96 118.68 124.36 2wqt s LEU 100 Ca -0.02 1.52 -0.09 0.00 -0.22 0.00 0.00 54.13 55.31 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 -0.58 0.80 0.00 -1.32 0.00 0.00 176.35 175.26 2wqt n GLN 101 N 5.69 -1.61 -2.74 1.98 6.02 -1.26 -1.06 117.38 124.40 2wqt n GLN 101 Ca 0.11 0.86 -0.36 0.00 -0.01 0.00 0.00 57.00 57.59 2wqt n GLN 101 Cb 0.47 -4.92 -0.06 0.00 1.02 0.00 0.00 30.24 26.75 2wqt n GLN 101 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wqt s PRO 102 N -4.68 4.46 0.01 -1.09 0.04 -1.25 -4.03 135.00 128.46 2wqt s PRO 102 Ca 0.32 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.71 2wqt s PRO 102 Cb -0.08 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 2wqt s PRO 102 CO 0.80 0.16 -0.04 1.03 0.04 0.00 0.00 177.00 179.00 2wqt s ARG 103 N -2.28 0.28 0.06 4.56 3.00 -0.30 -1.78 118.95 122.49 2wqt s ARG 103 Ca 0.53 -0.32 0.04 0.00 0.00 0.00 0.00 55.73 55.99 2wqt s ARG 103 Cb -0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 34.95 34.58 2wqt s ARG 103 CO 0.23 0.03 -0.04 0.96 0.00 0.00 0.00 175.30 176.48 2wqt s ILE 104 N -0.59 3.78 0.05 1.52 -5.25 -0.77 0.49 121.20 120.42 2wqt s ILE 104 Ca -0.05 -0.94 0.01 0.00 -0.99 0.00 0.00 60.65 58.68 2wqt s ILE 104 Cb -0.04 -2.74 -0.03 0.00 2.95 0.00 0.00 42.46 42.60 2wqt s ILE 104 CO -0.00 0.23 -0.05 -1.83 -1.79 0.00 0.00 174.94 171.49 2wqt s GLU 105 N -1.94 0.52 0.03 0.37 -1.05 -0.34 -1.91 118.70 114.38 2wqt s GLU 105 Ca 0.22 -0.89 -0.16 0.00 -0.15 0.00 0.00 54.97 53.98 2wqt s GLU 105 Cb -0.11 -0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 33.47 2wqt s GLU 105 CO 0.13 -0.03 0.47 0.00 0.95 0.00 0.00 175.26 176.78 2wqt s ALA 106 N -2.28 3.66 0.10 -0.84 0.00 -1.26 -0.37 121.76 120.78 2wqt s ALA 106 Ca -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 2wqt s ALA 106 Cb -0.04 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 2wqt s ALA 106 CO -0.03 0.45 0.11 -1.21 0.00 0.00 0.00 175.76 175.08 2wqt s GLU 107 N -1.13 0.86 -0.22 0.00 2.02 0.28 -1.07 118.70 119.44 2wqt s GLU 107 Ca 0.26 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 53.95 2wqt s GLU 107 Cb -0.18 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 2wqt s GLU 107 CO 0.16 -0.25 0.16 0.42 0.02 0.00 0.00 175.26 175.76 2wqt s ILE 108 N -3.95 5.38 -0.10 -1.63 1.01 -1.26 -0.89 121.20 119.76 2wqt s ILE 108 Ca 0.13 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 2wqt s ILE 108 Cb 0.06 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2wqt s ILE 108 CO -0.05 0.39 0.09 0.00 0.00 0.00 0.00 174.94 175.37 2wqt s ALA 109 N 0.71 3.66 0.03 9.38 0.00 0.38 -1.76 121.76 134.16 2wqt s ALA 109 Ca 0.08 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.41 2wqt s ALA 109 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2wqt s ALA 109 CO 0.01 0.62 -0.21 -0.51 0.00 0.00 0.00 175.76 175.67 2wqt s LEU 110 N -1.03 2.45 -0.02 0.00 1.43 -0.04 -1.18 118.68 120.29 2wqt s LEU 110 Ca 0.15 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2wqt s LEU 110 Cb -0.12 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2wqt s LEU 110 CO 0.04 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 176.01 2wqt s VAL 111 N -0.85 2.65 -0.08 -1.59 1.01 -0.26 -0.45 120.40 120.84 2wqt s VAL 111 Ca 0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2wqt s VAL 111 Cb -0.10 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2wqt s VAL 111 CO 0.03 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 174.99 2wqt s LEU 112 N -0.86 4.04 0.37 3.92 1.43 -1.02 0.32 118.68 126.88 2wqt s LEU 112 Ca 0.12 0.29 0.20 0.00 -1.03 0.00 0.00 54.13 53.71 2wqt s LEU 112 Cb -0.10 -2.08 0.53 0.00 0.03 0.00 0.00 46.19 44.57 2wqt s LEU 112 CO 0.01 0.36 1.66 0.78 0.23 0.00 0.00 176.35 179.39 2wqt h ASN 113 N 4.75 0.00 -5.14 2.29 2.35 -0.83 -0.77 115.58 118.22 2wqt h ASN 113 Ca -0.52 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.19 2wqt h ASN 113 Cb 1.20 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.48 2wqt h ASN 113 CO 0.59 0.34 -0.05 0.00 -1.65 0.00 0.00 177.43 176.66 2wqt s ARG 114 N -3.37 1.41 0.56 0.81 3.03 -1.26 -4.70 118.95 115.43 2wqt s ARG 114 Ca 0.02 -1.01 -0.20 0.00 2.03 0.00 0.00 55.73 56.57 2wqt s ARG 114 Cb 0.09 0.49 -0.04 0.00 -1.03 0.00 0.00 34.95 34.46 2wqt s ARG 114 CO 0.69 -0.59 1.22 -0.51 -1.13 0.00 0.00 175.30 174.98 2wqt s ASP 115 N -2.92 5.37 -0.64 -2.89 1.01 -1.26 -3.48 116.67 111.86 2wqt s ASP 115 Ca 0.13 2.41 0.05 0.00 0.71 0.00 0.00 52.55 55.86 2wqt s ASP 115 Cb -0.01 -2.60 0.17 0.00 1.01 0.00 0.00 42.92 41.49 2wqt s ASP 115 CO 0.01 -1.47 0.46 -0.76 0.21 0.00 0.00 175.17 173.62 2wqt s LEU 116 N -3.83 4.15 0.30 1.23 1.43 -0.35 -4.91 118.68 116.69 2wqt s LEU 116 Ca 0.74 -3.69 0.16 0.00 -1.03 0.00 0.00 54.13 50.32 2wqt s LEU 116 Cb -0.31 -1.40 0.15 0.00 0.03 0.00 0.00 46.19 44.66 2wqt s LEU 116 CO 0.35 -0.10 1.48 1.55 0.23 0.00 0.00 176.35 179.86 2wqt h PRO 117 N 5.47 0.00 -6.29 1.29 0.13 -1.93 -3.37 132.00 127.30 2wqt h PRO 117 Ca 0.16 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.65 0.47 0.78 0.00 -0.23 0.00 0.00 178.00 179.67 2wqt s ALA 118 N -3.04 3.55 -1.48 -0.56 0.00 -1.26 -4.81 121.76 114.16 2wqt s ALA 118 Ca 0.04 0.65 0.27 0.00 0.00 0.00 0.00 51.96 52.92 2wqt s ALA 118 Cb 0.08 -3.56 1.40 0.00 0.00 0.00 0.00 23.12 21.04 2wqt s ALA 118 CO 0.73 -0.90 1.94 0.25 0.00 0.00 0.00 175.76 177.79 2wqt n THR 119 N 4.80 0.11 -1.74 0.00 -2.24 -1.26 -3.03 114.28 110.92 2wqt n THR 119 Ca 0.12 0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 2wqt n THR 119 Cb 0.45 -0.58 0.18 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.26 1.63 -4.67 3.42 3.85 -1.26 -4.78 116.55 113.48 2wqt n ASP 120 Ca 0.14 -3.62 -0.43 0.00 -0.71 0.00 0.00 54.79 50.17 2wqt n ASP 120 Cb 0.21 -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 -0.87 1.77 -3.97 2.12 3.06 -1.17 -4.99 119.36 115.32 2wqt n ILE 121 Ca 0.17 -0.44 -0.21 0.00 -2.50 0.00 0.00 62.75 59.77 2wqt n ILE 121 Cb 0.76 -1.45 -0.02 0.00 0.54 0.00 0.00 39.64 39.47 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 -0.86 5.25 0.25 9.51 -4.23 -1.26 -4.98 115.64 119.33 2wqt s THR 122 Ca 0.59 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 60.07 2wqt s THR 122 Cb -0.61 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 69.68 2wqt s THR 122 CO 0.59 -0.31 1.63 0.15 -0.54 0.00 0.00 174.62 176.14 2wqt h PHE 123 N 1.26 -0.02 -0.13 3.99 3.57 -1.93 -1.01 116.94 122.66 2wqt h PHE 123 Ca -0.52 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 60.94 2wqt h PHE 123 Cb 1.23 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2wqt h PHE 123 CO 0.46 -0.25 -0.37 0.38 -2.23 0.00 0.00 178.31 176.30 2wqt h ASP 124 N 0.11 0.29 0.19 0.41 2.03 -2.00 -2.78 116.42 114.67 2wqt h ASP 124 Ca 0.43 -0.12 -0.13 0.00 -0.73 0.00 0.00 57.03 56.49 2wqt h ASP 124 Cb 0.78 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 2wqt h ASP 124 CO -0.68 0.65 -0.47 -0.33 -1.03 0.00 0.00 179.24 177.38 2wqt h GLU 125 N 0.24 0.33 -0.55 4.15 5.08 -1.62 -2.89 114.58 119.33 2wqt h GLU 125 Ca 0.03 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2wqt h GLU 125 Cb 0.77 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2wqt h GLU 125 CO 0.06 0.74 -0.01 1.25 -1.00 0.00 0.00 179.01 180.04 2wqt h LEU 126 N 0.27 0.94 -0.70 1.33 5.85 -1.14 -2.92 115.31 118.94 2wqt h LEU 126 Ca 0.02 -0.26 0.15 0.00 0.84 0.00 0.00 57.88 58.63 2wqt h LEU 126 Cb 0.93 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 2wqt h LEU 126 CO 0.08 1.00 0.12 1.88 -0.34 0.00 0.00 178.44 181.18 2wqt h TYR 127 N 0.88 0.17 0.00 1.25 0.05 -1.28 0.13 116.97 118.18 2wqt h TYR 127 Ca 0.16 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2wqt h TYR 127 Cb 0.54 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.31 2wqt h TYR 127 CO 0.03 -0.12 0.00 -1.71 -1.05 0.00 0.00 178.16 175.32 2wqt n ASN 128 N -5.20 0.16 -0.35 3.88 2.85 -1.11 -2.63 115.26 112.86 2wqt n ASN 128 Ca 0.13 0.54 0.11 0.00 -0.11 0.00 0.00 54.58 55.25 2wqt n ASN 128 Cb 0.43 -0.57 -0.00 0.00 1.24 0.00 0.00 39.78 40.88 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 -1.56 3.83 -2.67 5.20 0.00 0.46 -4.89 120.51 120.87 2wqt n ALA 129 Ca 0.03 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 2wqt n ALA 129 Cb 0.18 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.62 4.84 -0.19 0.00 1.01 -1.08 -0.15 121.20 123.00 2wqt s ILE 130 Ca 0.16 1.75 -0.20 0.00 0.00 0.00 0.00 60.65 62.37 2wqt s ILE 130 Cb 0.18 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 38.29 2wqt s ILE 130 CO 0.65 -0.00 0.17 -0.08 0.00 0.00 0.00 174.94 175.68 2wqt h GLU 131 N 7.31 0.00 -4.53 2.79 4.81 -0.41 -3.44 114.58 121.10 2wqt h GLU 131 Ca -0.28 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.64 2wqt h GLU 131 Cb 1.13 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.26 2wqt h GLU 131 CO 0.86 0.83 -0.75 -1.58 -0.73 0.00 0.00 179.01 177.64 2wqt s TRP 132 N -2.33 0.64 -0.11 0.92 0.52 -1.12 -4.58 118.94 112.89 2wqt s TRP 132 Ca -0.26 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.55 2wqt s TRP 132 Cb 0.05 -0.39 -0.00 0.00 -1.15 0.00 0.00 33.47 31.97 2wqt s TRP 132 CO 0.53 -0.05 -0.21 0.54 0.02 0.00 0.00 176.95 177.78 2wqt s VAL 133 N -0.89 2.28 0.04 4.03 0.11 0.32 -1.10 120.40 125.19 2wqt s VAL 133 Ca -0.05 -0.94 -0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2wqt s VAL 133 Cb -0.07 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 2wqt s VAL 133 CO 0.00 0.55 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.81 2wqt s LEU 134 N 0.37 2.35 0.33 2.54 2.34 -0.33 -1.68 118.68 124.60 2wqt s LEU 134 Ca -0.16 -0.71 -0.27 0.00 0.06 0.00 0.00 54.13 53.04 2wqt s LEU 134 Cb -0.17 0.10 -0.09 0.00 -0.56 0.00 0.00 46.19 45.46 2wqt s LEU 134 CO 0.08 -0.41 1.01 -2.16 -1.06 0.00 0.00 176.35 173.81 2wqt s PRO 135 N -2.49 4.50 0.04 1.48 0.04 -1.26 -0.47 135.00 136.83 2wqt s PRO 135 Ca -0.05 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 2wqt s PRO 135 Cb -0.03 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 2wqt s PRO 135 CO -0.04 0.16 -0.03 0.00 0.04 0.00 0.00 177.00 177.13 2wqt s ALA 136 N -1.47 0.34 -0.07 8.56 0.00 -0.07 -1.02 121.76 128.03 2wqt s ALA 136 Ca 0.50 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2wqt s ALA 136 Cb -0.24 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2wqt s ALA 136 CO 0.30 -0.25 -0.10 -0.51 0.00 0.00 0.00 175.76 175.20 2wqt s LEU 137 N -2.17 2.95 -0.20 0.00 1.43 -0.16 -0.55 118.68 119.97 2wqt s LEU 137 Ca -0.05 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2wqt s LEU 137 Cb -0.01 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2wqt s LEU 137 CO -0.05 0.32 -0.06 -0.70 0.23 0.00 0.00 176.35 176.09 2wqt s GLU 138 N -0.57 3.38 -0.69 1.70 2.12 0.51 -0.74 118.70 124.41 2wqt s GLU 138 Ca 0.08 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 2wqt s GLU 138 Cb -0.12 -2.93 0.12 0.00 0.26 0.00 0.00 34.13 31.45 2wqt s GLU 138 CO 0.02 -0.11 0.83 0.08 -0.54 0.00 0.00 175.26 175.53 2wqt s VAL 139 N 1.24 4.81 0.49 3.70 1.01 0.04 -1.20 120.40 130.49 2wqt s VAL 139 Ca 0.03 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.70 2wqt s VAL 139 Cb -0.14 -4.57 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 2wqt s VAL 139 CO -0.02 -1.24 0.94 0.68 0.00 0.00 0.00 175.10 175.46 2wqt s VAL 140 N 2.64 4.58 0.08 2.92 -7.23 0.18 -1.75 120.40 121.82 2wqt s VAL 140 Ca 0.18 1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 61.41 2wqt s VAL 140 Cb -0.18 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 2wqt s VAL 140 CO 0.02 -0.64 0.12 -0.83 -0.31 0.00 0.00 175.10 173.46 2wqt s GLY 141 N -3.05 0.27 -0.08 2.32 0.00 -0.26 -1.15 107.32 105.37 2wqt s GLY 141 Ca 0.58 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 44.45 2wqt s GLY 141 CO 0.31 -1.00 -0.13 -0.45 0.00 0.00 0.00 173.10 171.83 2wqt s SER 142 N -2.89 2.08 0.00 1.64 0.15 -0.22 -4.25 113.70 110.20 2wqt s SER 142 Ca 0.07 -0.35 0.30 0.00 0.70 0.00 0.00 55.95 56.67 2wqt s SER 142 Cb 0.06 -0.93 1.49 0.00 -1.71 0.00 0.00 66.02 64.92 2wqt s SER 142 CO -0.10 0.02 1.99 0.54 1.20 0.00 0.00 173.24 176.89 2wqt n ARG 143 N 4.04 1.28 -4.25 5.44 3.00 -1.26 -4.51 116.66 120.40 2wqt n ARG 143 Ca -0.20 -0.45 -0.34 0.00 -0.01 0.00 0.00 57.85 56.85 2wqt n ARG 143 Cb 0.51 -1.49 -0.10 0.00 0.00 0.00 0.00 32.46 31.38 2wqt n ARG 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2wqt s ILE 144 N -2.02 4.36 -0.13 0.55 1.01 -1.26 -0.82 121.20 122.87 2wqt s ILE 144 Ca 0.42 -0.20 -0.35 0.00 0.00 0.00 0.00 60.65 60.53 2wqt s ILE 144 Cb 0.21 -2.91 -0.16 0.00 0.01 0.00 0.00 42.46 39.61 2wqt s ILE 144 CO 0.36 0.52 1.01 -1.14 0.00 0.00 0.00 174.94 175.69 2wqt n ARG 145 N 3.10 0.00 -3.06 2.79 0.63 0.71 -2.82 116.66 118.01 2wqt n ARG 145 Ca -0.17 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.57 2wqt n ARG 145 Cb 0.53 -1.22 -0.01 0.00 0.45 0.00 0.00 32.46 32.21 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 1.89 -3.50 -1.98 6.15 8.00 -1.26 -1.00 116.55 124.85 2wqt n ASP 146 Ca 0.19 -0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 2wqt n ASP 146 Cb 0.03 -2.94 -0.02 0.00 -0.02 0.00 0.00 41.12 38.17 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 -3.67 -1.05 -2.44 1.24 7.02 -1.13 -4.85 117.44 112.56 2wqt n TRP 147 Ca -0.05 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.05 2wqt n TRP 147 Cb 0.56 -2.48 -0.02 0.00 -2.42 0.00 0.00 31.31 26.94 2wqt n TRP 147 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wqt s SER 148 N -1.99 6.27 -0.07 -0.99 0.15 -0.17 -4.93 113.70 111.97 2wqt s SER 148 Ca 0.00 -1.81 0.04 0.00 0.70 0.00 0.00 55.95 54.88 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 -1.74 -0.19 -0.51 1.20 0.00 0.00 173.24 172.00 2wqt s ILE 149 N 6.13 1.66 0.48 6.45 1.10 -1.26 -4.79 121.20 130.97 2wqt s ILE 149 Ca 0.55 -0.81 0.06 0.00 -0.51 0.00 0.00 60.65 59.94 2wqt s ILE 149 Cb 0.01 -1.44 -0.00 0.00 0.15 0.00 0.00 42.46 41.17 2wqt s ILE 149 CO 0.02 0.47 0.31 -1.10 -2.11 0.00 0.00 174.94 172.53 2wqt s GLN 150 N 0.24 2.30 0.18 3.50 -1.52 -1.26 -4.98 119.66 118.12 2wqt s GLN 150 Ca -0.11 -1.89 -0.21 0.00 -1.95 0.00 0.00 55.36 51.20 2wqt s GLN 150 Cb -0.15 -2.09 0.10 0.00 -0.22 0.00 0.00 33.01 30.65 2wqt s GLN 150 CO 0.05 -0.37 1.60 0.35 -0.25 0.00 0.00 175.29 176.67 2wqt h PHE 151 N 1.03 -0.80 -0.34 0.91 3.57 -1.89 -0.59 116.94 118.83 2wqt h PHE 151 Ca -0.40 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2wqt h PHE 151 Cb 1.28 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 40.43 2wqt h PHE 151 CO 0.81 -0.36 0.14 -0.24 -2.23 0.00 0.00 178.31 176.44 2wqt h VAL 152 N -0.18 1.13 -0.05 1.41 3.04 -1.92 -2.13 116.25 117.53 2wqt h VAL 152 Ca 0.21 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2wqt h VAL 152 Cb 0.52 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2wqt h VAL 152 CO -0.59 0.15 -0.00 0.44 -1.01 0.00 0.00 177.57 176.57 2wqt h ASP 153 N 0.48 0.09 -0.00 3.17 3.32 -1.51 -2.81 116.42 119.16 2wqt h ASP 153 Ca 0.12 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2wqt h ASP 153 Cb 0.09 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2wqt h ASP 153 CO -0.01 0.39 0.00 0.74 -1.72 0.00 0.00 179.24 178.63 2wqt h THR 154 N -0.21 1.05 -0.06 0.35 2.02 -1.18 -1.92 112.91 112.97 2wqt h THR 154 Ca 0.01 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.07 2wqt h THR 154 Cb 0.34 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2wqt h THR 154 CO 0.00 0.04 -0.13 0.58 0.37 0.00 0.00 175.52 176.38 2wqt h VAL 155 N -0.06 0.66 -0.99 3.16 2.07 -1.46 0.31 116.25 119.94 2wqt h VAL 155 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2wqt h VAL 155 Cb 0.06 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 2wqt h VAL 155 CO -0.00 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.22 2wqt h ALA 156 N 0.82 1.53 -0.18 1.67 0.00 -1.48 -1.34 119.26 120.28 2wqt h ALA 156 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2wqt h ALA 156 Cb 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2wqt h ALA 156 CO -0.17 0.25 0.14 -3.47 0.00 0.00 0.00 179.25 175.99 2wqt n ASP 157 N -4.58 4.45 -3.76 0.00 4.64 -0.12 -3.78 116.55 113.40 2wqt n ASP 157 Ca 0.18 -2.47 -0.24 0.00 -1.38 0.00 0.00 54.79 50.87 2wqt n ASP 157 Cb 0.32 -0.83 0.03 0.00 -1.04 0.00 0.00 41.12 39.61 2wqt n ASP 157 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 158 N 0.63 -2.62 -3.47 1.67 5.15 -0.51 -1.84 115.26 114.27 2wqt n ASN 158 Ca 0.11 -0.79 -0.25 0.00 -0.60 0.00 0.00 54.58 53.05 2wqt n ASN 158 Cb 0.62 -4.07 0.01 0.00 -0.53 0.00 0.00 39.78 35.81 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 -4.44 -1.10 -4.02 5.20 0.00 0.90 -1.84 120.51 115.21 2wqt n ALA 159 Ca -0.17 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 2wqt n ALA 159 Cb 0.62 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.76 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 -2.45 -3.58 -4.77 0.00 7.64 -0.77 -4.89 113.62 104.81 2wqt n SER 160 Ca -0.01 -0.89 -0.37 0.00 1.01 0.00 0.00 58.87 58.61 2wqt n SER 160 Cb 0.55 -3.40 -0.02 0.00 -1.01 0.00 0.00 64.21 60.33 2wqt n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqt n GLY 162 N 0.45 0.77 3.27 0.00 0.00 -0.98 -4.17 105.19 104.53 2wqt n GLY 162 Ca 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 0.29 0.28 0.04 1.61 -7.23 -0.72 -4.89 120.40 109.78 2wqt s VAL 163 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2wqt s VAL 163 Cb 0.00 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2wqt s VAL 163 CO 0.00 0.00 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.05 2wqt s TYR 164 N -3.87 0.43 -0.02 2.82 1.13 0.01 -0.78 117.35 117.08 2wqt s TYR 164 Ca 0.38 -0.90 0.04 0.00 -1.41 0.00 0.00 57.07 55.19 2wqt s TYR 164 Cb 0.07 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 2wqt s TYR 164 CO 0.14 -0.33 -0.15 0.54 -2.51 0.00 0.00 175.55 173.24 2wqt s VAL 165 N -3.18 1.25 -0.10 -3.49 0.11 0.08 -0.43 120.40 114.65 2wqt s VAL 165 Ca 0.00 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2wqt s VAL 165 Cb 0.03 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2wqt s VAL 165 CO -0.07 0.36 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.33 2wqt s ILE 166 N -0.19 3.40 0.00 7.04 1.01 -0.79 -0.99 121.20 130.68 2wqt s ILE 166 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2wqt s ILE 166 Cb -0.08 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.98 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 2.85 3.77 3.78 6.18 0.00 -0.19 -1.28 105.19 120.30 2wqt n GLY 167 Ca -0.18 -1.70 -0.03 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 -0.13 0.67 -0.02 0.00 -1.07 -4.67 107.32 102.09 2wqt s GLY 168 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 44.72 44.60 2wqt s GLY 168 CO 0.00 0.58 1.06 -4.14 0.00 0.00 0.00 173.10 170.60 2wqt s PRO 169 N -2.94 3.00 0.08 2.90 0.02 -1.25 -1.38 135.00 135.42 2wqt s PRO 169 Ca 0.15 1.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 2wqt s PRO 169 Cb -0.02 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 2wqt s PRO 169 CO 0.03 -1.06 1.14 0.00 -0.33 0.00 0.00 177.00 176.78 2wqt s ALA 170 N -2.82 3.35 0.08 -1.55 0.00 -1.26 -4.65 121.76 114.91 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 0.49 -0.35 -0.25 -0.65 0.00 0.00 0.00 175.76 175.00 2wqt s GLN 171 N 0.69 1.68 0.35 0.00 -1.52 -0.68 -4.98 119.66 115.21 2wqt s GLN 171 Ca 0.55 -1.19 -0.18 0.00 -1.95 0.00 0.00 55.36 52.59 2wqt s GLN 171 Cb -0.28 -1.98 -0.10 0.00 -0.22 0.00 0.00 33.01 30.43 2wqt s GLN 171 CO 0.30 0.49 0.83 1.03 -0.25 0.00 0.00 175.29 177.69 2wqt s ARG 172 N -1.63 4.15 0.38 2.91 1.81 -1.26 -0.53 118.95 124.79 2wqt s ARG 172 Ca 0.13 0.90 0.15 0.00 -1.72 0.00 0.00 55.73 55.19 2wqt s ARG 172 Cb -0.10 -2.42 0.77 0.00 -0.45 0.00 0.00 34.95 32.75 2wqt s ARG 172 CO 0.04 0.12 1.83 -1.00 -0.68 0.00 0.00 175.30 175.62 2wqt h PRO 173 N 2.32 0.00 -6.35 3.54 0.13 -1.85 -3.41 132.00 126.38 2wqt h PRO 173 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 2wqt h PRO 173 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2wqt h PRO 173 CO 0.64 0.36 1.19 0.00 -0.23 0.00 0.00 178.00 179.95 2wqt n ALA 174 N -2.42 1.45 0.00 -0.56 0.00 -1.26 -1.57 120.51 116.14 2wqt n ALA 174 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wqt n ALA 174 Cb 0.41 -2.62 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 4.48 2.47 3.73 0.00 0.00 -1.26 -5.02 105.19 109.59 2wqt n GLY 175 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2wqt n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wqt s LEU 176 N 0.00 4.40 -0.61 0.99 1.43 -0.61 -4.98 118.68 119.30 2wqt s LEU 176 Ca 0.00 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.27 2wqt s LEU 176 Cb 0.00 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2wqt s LEU 176 CO 0.00 -0.57 0.95 -0.62 0.23 0.00 0.00 176.35 176.34 2wqt s ASP 177 N 0.53 6.24 0.05 2.29 3.68 -1.26 -4.87 116.67 123.33 2wqt s ASP 177 Ca 0.59 -0.71 0.23 0.00 2.13 0.00 0.00 52.55 54.79 2wqt s ASP 177 Cb -0.37 -2.42 0.11 0.00 -1.45 0.00 0.00 42.92 38.78 2wqt s ASP 177 CO 0.37 -1.34 1.08 0.18 0.13 0.00 0.00 175.17 175.59 2wqt n LEU 178 N 7.59 0.63 -0.07 -1.34 4.77 -1.26 -4.24 117.00 123.09 2wqt n LEU 178 Ca -0.02 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 2wqt n LEU 178 Cb 0.46 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2wqt n LEU 178 CO 0.64 0.04 -0.24 0.50 -1.33 0.00 0.00 177.39 177.00 2wqt h LYS 179 N 0.00 0.06 -0.92 3.23 3.64 -1.92 -3.40 116.57 117.26 2wqt h LYS 179 Ca 0.00 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 58.68 2wqt h LYS 179 Cb 0.71 0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 32.27 2wqt h LYS 179 CO 0.00 1.05 0.56 0.09 -2.27 0.00 0.00 179.45 178.88 2wqt n ASN 180 N -4.36 6.23 -4.48 4.20 4.13 -1.26 -2.19 115.26 117.54 2wqt n ASN 180 Ca -0.24 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 51.84 2wqt n ASN 180 Cb 0.68 -0.85 -0.04 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 3.74 3.40 -0.08 0.00 0.00 -1.26 -2.47 121.76 125.09 2wqt s ALA 182 Ca 0.24 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.36 2wqt s ALA 182 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wqt s ALA 182 CO 0.14 -0.52 -0.19 1.41 0.00 0.00 0.00 175.76 176.60 2wqt s MET 183 N -1.84 2.38 -0.04 0.00 0.00 0.29 -0.92 119.30 119.18 2wqt s MET 183 Ca 0.50 -0.69 0.05 0.00 0.00 0.00 0.00 55.69 55.55 2wqt s MET 183 Cb -0.36 -1.89 -0.01 0.00 0.00 0.00 0.00 34.83 32.57 2wqt s MET 183 CO 0.47 0.16 -0.20 0.15 0.00 0.00 0.00 175.02 175.60 2wqt s LYS 184 N 0.35 1.90 -0.05 4.11 -0.14 -0.90 -1.73 119.74 123.28 2wqt s LYS 184 Ca -0.14 -0.71 0.04 0.00 -1.36 0.00 0.00 55.97 53.80 2wqt s LYS 184 Cb -0.16 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 34.30 2wqt s LYS 184 CO 0.06 0.33 -0.17 1.41 -0.76 0.00 0.00 175.35 176.22 2wqt s MET 185 N -0.17 1.91 0.06 1.68 1.75 -0.20 -0.67 119.30 123.67 2wqt s MET 185 Ca -0.00 -0.59 0.05 0.00 -1.25 0.00 0.00 55.69 53.90 2wqt s MET 185 Cb -0.11 -1.60 -0.04 0.00 2.84 0.00 0.00 34.83 35.92 2wqt s MET 185 CO 0.02 0.19 -0.08 0.95 -0.65 0.00 0.00 175.02 175.44 2wqt s THR 186 N 0.22 3.54 -0.16 10.11 -4.23 0.36 -0.80 115.64 124.68 2wqt s THR 186 Ca -0.08 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2wqt s THR 186 Cb -0.13 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 2wqt s THR 186 CO 0.03 0.23 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.65 2wqt s ARG 187 N -1.89 3.41 -1.65 3.99 3.52 -0.27 -1.86 118.95 124.19 2wqt s ARG 187 Ca 0.20 -0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 55.05 2wqt s ARG 187 Cb -0.11 -2.78 0.10 0.00 -1.56 0.00 0.00 34.95 30.60 2wqt s ARG 187 CO 0.12 0.09 0.36 0.09 -0.81 0.00 0.00 175.30 175.15 2wqt n ASN 188 N 3.91 -0.71 -0.02 -2.12 3.02 0.22 -1.62 115.26 117.94 2wqt n ASN 188 Ca -0.18 -1.19 -0.00 0.00 -0.03 0.00 0.00 54.58 53.18 2wqt n ASN 188 Cb 0.52 -1.99 -0.00 0.00 -0.61 0.00 0.00 39.78 37.70 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 -3.23 -4.09 6.41 3.02 -1.26 -5.04 115.26 108.33 2wqt n ASN 189 Ca -0.13 0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.21 2wqt n ASN 189 Cb 0.59 -0.75 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.49 1.11 0.17 3.52 -1.05 -0.64 -5.03 118.70 116.30 2wqt s GLU 190 Ca 0.00 -0.47 -0.33 0.00 -0.15 0.00 0.00 54.97 54.03 2wqt s GLU 190 Cb 0.00 -1.06 -0.13 0.00 -0.44 0.00 0.00 34.13 32.50 2wqt s GLU 190 CO 0.00 0.27 1.69 -1.91 0.95 0.00 0.00 175.26 176.25 2wqt n GLU 191 N 2.83 2.54 0.00 -4.83 2.13 -1.26 -1.12 120.64 120.93 2wqt n GLU 191 Ca -0.15 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2wqt n GLU 191 Cb 0.55 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.52 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 3.88 0.00 -3.53 6.31 0.24 0.02 -4.87 118.33 120.38 2wqt n VAL 192 Ca 0.17 -0.20 -0.17 0.00 -2.04 0.00 0.00 64.34 62.10 2wqt n VAL 192 Cb 0.33 0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 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 -0.76 -0.64 0.23 -1.34 0.15 -1.15 -4.94 113.70 105.25 2wqt s SER 193 Ca 0.00 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.19 2wqt s SER 193 Cb 0.00 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2wqt s SER 193 CO 0.00 -0.56 0.58 -0.94 1.20 0.00 0.00 173.24 173.52 2wqt s SER 194 N -1.10 -0.25 0.00 5.45 1.04 -1.26 -1.03 113.70 116.55 2wqt s SER 194 Ca -0.10 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2wqt s SER 194 Cb -0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2wqt s SER 194 CO 0.09 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2wqt n GLY 195 N -0.39 -0.60 3.60 7.32 0.00 -0.70 -4.34 105.19 110.08 2wqt n GLY 195 Ca -0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.70 1.39 0.44 1.61 1.70 -1.01 -0.55 118.95 121.84 2wqt s ARG 196 Ca 0.00 -0.64 0.23 0.00 -0.47 0.00 0.00 55.73 54.85 2wqt s ARG 196 Cb 0.00 0.56 1.21 0.00 -0.57 0.00 0.00 34.95 36.15 2wqt s ARG 196 CO 0.00 -0.62 1.81 0.78 -1.08 0.00 0.00 175.30 176.19 2wqt h GLY 197 N 2.00 0.78 2.00 3.88 0.00 -1.43 -1.74 103.07 108.56 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 -0.06 0.00 1.48 0.00 0.00 0.00 176.54 178.27 2wqt h SER 198 N 0.29 0.00 1.08 0.19 4.64 -1.62 -2.50 113.55 115.63 2wqt h SER 198 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2wqt h SER 198 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2wqt h SER 198 CO -0.18 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.45 2wqt h GLU 199 N 0.00 0.00 -3.69 4.77 5.08 -1.60 -2.58 114.58 116.55 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 0.39 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.38 2wqt h GLU 199 CO 0.00 0.00 0.68 0.00 -1.00 0.00 0.00 179.01 178.69 2wqt n LEU 201 N 3.06 -1.76 0.00 0.00 4.77 -0.86 -1.94 117.00 120.27 2wqt n LEU 201 Ca 0.27 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wqt n LEU 201 Cb 0.39 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 2wqt n LEU 201 CO 0.53 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2wqt n GLY 202 N -1.17 2.74 3.65 -0.72 0.00 -0.97 -4.76 105.19 103.95 2wqt n GLY 202 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.15 -0.21 0.46 1.61 5.65 -0.82 -4.25 115.29 116.57 2wqt s HIS 203 Ca 0.00 0.45 0.20 0.00 0.25 0.00 0.00 55.06 55.96 2wqt s HIS 203 Cb 0.00 0.21 1.18 0.00 -1.18 0.00 0.00 32.58 32.79 2wqt s HIS 203 CO 0.00 -0.11 1.90 -1.35 -0.65 0.00 0.00 174.74 174.54 2wqt h PRO 204 N 4.95 0.28 0.00 2.88 0.11 -1.67 0.70 132.00 139.25 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 -0.49 2.35 3.38 -1.93 -2.37 115.31 116.55 2wqt h LEU 205 Ca 0.39 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 2wqt h LEU 205 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2wqt h LEU 205 CO -0.11 0.00 -0.06 0.78 0.09 0.00 0.00 178.44 179.15 2wqt h ASN 206 N 0.00 0.89 -0.55 -0.43 2.35 -1.15 0.93 115.58 117.62 2wqt h ASN 206 Ca 0.00 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 2wqt h ASN 206 Cb 0.53 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2wqt h ASN 206 CO 0.00 1.01 0.26 0.00 -1.65 0.00 0.00 177.43 177.05 2wqt h ALA 207 N 0.91 0.71 -0.70 -0.83 0.00 -1.47 0.18 119.26 118.06 2wqt h ALA 207 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wqt h ALA 207 Cb 0.59 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2wqt h ALA 207 CO 0.04 0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.94 2wqt h ALA 208 N 1.10 0.90 0.12 0.00 0.00 -1.28 -0.92 119.26 119.17 2wqt h ALA 208 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wqt h ALA 208 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wqt h ALA 208 CO -0.02 0.41 -0.06 0.28 0.00 0.00 0.00 179.25 179.86 2wqt h VAL 209 N 0.96 0.96 -0.55 0.00 2.07 -0.49 0.03 116.25 119.23 2wqt h VAL 209 Ca 0.25 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.59 2wqt h VAL 209 Cb 0.04 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 2wqt h VAL 209 CO -0.04 0.07 0.04 -0.25 0.02 0.00 0.00 177.57 177.41 2wqt h TRP 210 N -0.29 0.04 -0.14 1.57 7.01 -0.81 -1.65 115.95 121.68 2wqt h TRP 210 Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2wqt h TRP 210 Cb 0.23 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 2wqt h TRP 210 CO -0.03 -0.10 0.04 1.25 -2.79 0.00 0.00 178.44 176.82 2wqt h LEU 211 N 0.16 0.21 -0.87 0.65 5.85 -0.95 -2.04 115.31 118.32 2wqt h LEU 211 Ca 0.28 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.92 2wqt h LEU 211 Cb 0.43 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2wqt h LEU 211 CO -0.43 0.36 0.48 0.00 -0.34 0.00 0.00 178.44 178.52 2wqt h ALA 212 N 0.85 1.29 -0.02 1.25 0.00 -0.51 -0.61 119.26 121.51 2wqt h ALA 212 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 212 Cb 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wqt h ALA 212 CO -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 2wqt h ARG 213 N 0.74 0.05 -0.07 0.00 3.08 -1.18 -2.14 114.38 114.86 2wqt h ARG 213 Ca 0.45 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.52 2wqt h ARG 213 Cb 0.54 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 2wqt h ARG 213 CO -0.31 0.40 -0.27 0.87 -1.07 0.00 0.00 179.97 179.59 2wqt h LYS 214 N -0.31 -0.36 -0.93 0.04 1.79 -0.89 -0.89 116.57 115.02 2wqt h LYS 214 Ca 0.01 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 2wqt h LYS 214 Cb 0.38 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 2wqt h LYS 214 CO 0.00 -0.24 0.60 0.52 -1.08 0.00 0.00 179.45 179.26 2wqt h MET 215 N -0.37 1.14 -0.61 3.15 2.86 -1.15 -0.10 114.93 119.85 2wqt h MET 215 Ca 0.08 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2wqt h MET 215 Cb 0.49 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2wqt h MET 215 CO -0.28 0.76 0.18 0.00 1.06 0.00 0.00 176.91 178.63 2wqt h ALA 216 N 1.38 0.81 0.00 6.32 0.00 -1.01 -0.89 119.26 125.86 2wqt h ALA 216 Ca 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wqt h ALA 216 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2wqt h ALA 216 CO -0.11 0.48 -0.07 0.66 0.00 0.00 0.00 179.25 180.20 2wqt h SER 217 N 0.88 0.00 0.33 0.00 4.64 -0.35 -2.50 113.55 116.55 2wqt h SER 217 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2wqt h SER 217 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2wqt h SER 217 CO -0.00 0.07 -0.02 0.18 -0.87 0.00 0.00 176.83 176.19 2wqt n LEU 218 N -3.14 0.11 -0.27 5.97 4.32 -0.13 -4.90 117.00 118.96 2wqt n LEU 218 Ca 0.02 0.13 -0.03 0.00 -0.02 0.00 0.00 56.01 56.10 2wqt n LEU 218 Cb 0.47 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 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 1.18 0.64 2.55 -0.72 0.00 -0.94 -4.97 105.19 102.93 2wqt n GLY 219 Ca 0.18 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.48 2.58 -1.68 1.61 1.02 -0.36 -5.03 120.64 116.30 2wqt n GLU 220 Ca -0.03 -4.60 -0.38 0.00 -0.02 0.00 0.00 57.16 52.12 2wqt n GLU 220 Cb 0.17 -2.17 0.05 0.00 -0.02 0.00 0.00 31.44 29.47 2wqt n GLU 220 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wqt n PRO 221 N 0.54 1.25 -1.79 3.49 -0.02 -1.19 -4.41 135.00 132.87 2wqt n PRO 221 Ca 0.30 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 2wqt n PRO 221 Cb 0.42 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.87 4.35 0.18 2.45 1.43 -1.26 -4.87 118.68 118.09 2wqt s LEU 222 Ca 0.75 2.91 -0.01 0.00 -1.03 0.00 0.00 54.13 56.75 2wqt s LEU 222 Cb -0.42 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 2wqt s LEU 222 CO 0.47 -0.91 0.37 -0.13 0.23 0.00 0.00 176.35 176.38 2wqt s ARG 223 N -0.20 3.52 0.28 1.70 0.52 -1.26 -1.21 118.95 122.30 2wqt s ARG 223 Ca 0.65 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 55.23 2wqt s ARG 223 Cb -0.48 -2.86 -0.13 0.00 0.52 0.00 0.00 34.95 32.00 2wqt s ARG 223 CO 0.45 0.43 1.25 -2.37 0.02 0.00 0.00 175.30 175.08 2wqt n THR 224 N -0.50 1.58 0.00 0.02 5.66 -1.23 -2.00 114.28 117.81 2wqt n THR 224 Ca -0.05 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2wqt n THR 224 Cb 0.53 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 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 1.42 2.16 3.74 1.09 0.00 -0.30 -4.92 105.19 108.38 2wqt n GLY 225 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2wqt n GLY 225 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 226 N -2.22 4.95 -0.10 1.61 -0.00 -0.85 -4.66 116.67 115.40 2wqt s ASP 226 Ca 0.00 2.73 -0.03 0.00 -0.00 0.00 0.00 52.55 55.25 2wqt s ASP 226 Cb 0.00 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.25 2wqt s ASP 226 CO 0.00 -1.78 0.03 -0.51 -0.00 0.00 0.00 175.17 172.91 2wqt s ILE 227 N -1.33 4.56 -0.15 0.77 2.07 -0.26 -2.44 121.20 124.43 2wqt s ILE 227 Ca 0.76 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.86 2wqt s ILE 227 Cb -0.40 -2.95 0.02 0.00 0.13 0.00 0.00 42.46 39.26 2wqt s ILE 227 CO 0.45 0.59 -0.16 -0.63 -1.91 0.00 0.00 174.94 173.28 2wqt s ILE 228 N -0.73 1.70 -0.32 2.00 1.01 0.41 -1.88 121.20 123.39 2wqt s ILE 228 Ca 0.12 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 2wqt s ILE 228 Cb -0.12 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 2wqt s ILE 228 CO 0.02 0.48 0.63 -0.76 0.00 0.00 0.00 174.94 175.32 2wqt s LEU 229 N 1.32 4.19 0.00 2.97 1.43 -0.63 -0.86 118.68 127.10 2wqt s LEU 229 Ca 0.02 0.32 0.29 0.00 -1.03 0.00 0.00 54.13 53.74 2wqt s LEU 229 Cb -0.13 -2.80 1.35 0.00 0.03 0.00 0.00 46.19 44.64 2wqt s LEU 229 CO -0.09 -0.52 1.92 0.35 0.23 0.00 0.00 176.35 178.23 2wqt n THR 230 N 5.47 0.00 0.00 5.49 -2.24 -0.72 -0.42 114.28 121.86 2wqt n THR 230 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2wqt n THR 230 Cb 0.49 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 3.05 3.74 3.38 0.00 -1.22 -4.75 105.19 110.51 2wqt n GLY 231 Ca 0.20 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2wqt n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wqt s ALA 232 N -2.94 3.68 -0.25 4.61 0.00 -1.26 -4.32 121.76 121.29 2wqt s ALA 232 Ca 0.00 1.39 0.21 0.00 0.00 0.00 0.00 51.96 53.56 2wqt s ALA 232 Cb 0.00 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2wqt s ALA 232 CO 0.00 -0.80 1.14 -0.07 0.00 0.00 0.00 175.76 176.03 2wqt h LEU 233 N 5.38 0.00 -8.13 0.00 3.38 -1.42 -3.39 115.31 111.12 2wqt h LEU 233 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 2wqt h LEU 233 Cb 1.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2wqt h LEU 233 CO 0.81 0.12 0.09 -0.83 0.09 0.00 0.00 178.44 178.72 2wqt s GLY 234 N -4.41 0.40 0.48 0.83 0.00 -1.26 -2.39 107.32 100.96 2wqt s GLY 234 Ca 0.01 -0.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 2wqt s GLY 234 CO 0.77 -0.41 1.37 -4.14 0.00 0.00 0.00 173.10 170.69 2wqt s PRO 235 N -3.43 3.56 0.66 2.90 0.02 -1.26 -4.68 135.00 132.76 2wqt s PRO 235 Ca 0.18 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.34 2wqt s PRO 235 Cb -0.04 -2.53 -0.01 0.00 0.02 0.00 0.00 34.50 31.95 2wqt s PRO 235 CO 0.10 -0.87 1.07 0.00 -0.33 0.00 0.00 177.00 176.97 2wqt s MET 236 N -2.58 3.00 0.08 5.54 0.23 -1.26 -4.81 119.30 119.50 2wqt s MET 236 Ca 0.64 1.13 0.04 0.00 -1.03 0.00 0.00 55.69 56.47 2wqt s MET 236 Cb -0.41 -1.99 -0.03 0.00 -1.53 0.00 0.00 34.83 30.87 2wqt s MET 236 CO 0.51 -1.06 -0.11 0.14 -2.03 0.00 0.00 175.02 172.47 2wqt s VAL 237 N -2.70 0.98 0.30 5.16 -7.23 -0.81 -4.96 120.40 111.14 2wqt s VAL 237 Ca 0.62 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2wqt s VAL 237 Cb -0.16 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 2wqt s VAL 237 CO 0.46 -0.42 1.15 0.00 -0.31 0.00 0.00 175.10 175.99 2wqt s ALA 238 N -1.90 3.42 -0.15 1.32 0.00 -1.26 -1.85 121.76 121.33 2wqt s ALA 238 Ca 0.01 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 2wqt s ALA 238 Cb -0.06 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2wqt s ALA 238 CO 0.01 -0.29 0.25 0.08 0.00 0.00 0.00 175.76 175.81 2wqt s VAL 239 N -1.17 5.33 0.22 0.00 1.01 -0.74 -4.89 120.40 120.16 2wqt s VAL 239 Ca 0.46 0.46 0.10 0.00 0.00 0.00 0.00 61.98 63.01 2wqt s VAL 239 Cb -0.34 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2wqt s VAL 239 CO 0.44 0.44 -0.13 0.20 0.00 0.00 0.00 175.10 176.05 2wqt s ASN 240 N 0.16 3.99 0.16 3.32 0.02 -1.26 -4.73 114.94 116.59 2wqt s ASN 240 Ca 0.15 -0.75 -0.33 0.00 -1.02 0.00 0.00 52.86 50.91 2wqt s ASN 240 Cb -0.13 -0.55 -0.16 0.00 0.02 0.00 0.00 41.25 40.43 2wqt s ASN 240 CO 0.03 0.07 1.08 0.00 0.02 0.00 0.00 177.10 178.31 2wqt n ALA 241 N -0.24 -1.30 0.00 0.60 0.00 -1.26 -1.82 120.51 116.49 2wqt n ALA 241 Ca -0.09 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wqt n ALA 241 Cb 0.57 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2wqt n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqt n GLY 242 N 1.92 2.91 3.77 0.00 0.00 0.40 -4.98 105.19 109.21 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 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 243 N -3.94 6.32 -0.22 1.61 -0.00 -0.75 -4.64 116.67 115.05 2wqt s ASP 243 Ca 0.00 3.05 -0.03 0.00 -0.00 0.00 0.00 52.55 55.57 2wqt s ASP 243 Cb 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 2wqt s ASP 243 CO 0.00 -0.91 -0.07 -0.60 -0.00 0.00 0.00 175.17 173.58 2wqt s ARG 244 N -1.64 3.19 -0.07 8.23 3.52 -1.26 -1.06 118.95 129.87 2wqt s ARG 244 Ca 0.56 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 2wqt s ARG 244 Cb -0.47 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2wqt s ARG 244 CO 0.59 -0.24 0.01 -0.06 -0.81 0.00 0.00 175.30 174.79 2wqt s PHE 245 N 1.41 3.17 -0.05 5.12 0.40 0.50 -0.61 117.98 127.93 2wqt s PHE 245 Ca 0.05 0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.54 2wqt s PHE 245 Cb -0.14 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.65 2wqt s PHE 245 CO -0.05 0.48 0.11 -2.00 0.70 0.00 0.00 175.22 174.46 2wqt s GLU 246 N -1.04 0.05 0.01 0.44 2.12 -0.78 -1.01 118.70 118.49 2wqt s GLU 246 Ca 0.15 0.30 0.08 0.00 0.36 0.00 0.00 54.97 55.86 2wqt s GLU 246 Cb -0.11 -0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.06 2wqt s GLU 246 CO 0.04 -0.16 -0.25 0.00 -0.54 0.00 0.00 175.26 174.36 2wqt s ALA 247 N 1.09 2.27 -0.13 6.30 0.00 -0.00 -0.48 121.76 130.80 2wqt s ALA 247 Ca -0.09 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2wqt s ALA 247 Cb -0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 2wqt s ALA 247 CO -0.05 0.54 -0.19 -1.01 0.00 0.00 0.00 175.76 175.05 2wqt s HIS 248 N -0.73 2.70 -0.24 0.00 3.76 0.16 -1.55 115.29 119.39 2wqt s HIS 248 Ca 0.11 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 2wqt s HIS 248 Cb -0.10 -1.81 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2wqt s HIS 248 CO 0.01 -0.45 -0.10 0.42 -0.85 0.00 0.00 174.74 173.76 2wqt s ILE 249 N 0.61 2.51 0.16 0.60 1.01 0.59 -2.13 121.20 124.56 2wqt s ILE 249 Ca -0.10 -1.19 -0.33 0.00 0.00 0.00 0.00 60.65 59.03 2wqt s ILE 249 Cb -0.16 -2.30 -0.13 0.00 0.01 0.00 0.00 42.46 39.89 2wqt s ILE 249 CO 0.03 0.19 1.69 1.21 0.00 0.00 0.00 174.94 178.06 2wqt n GLU 250 N 4.59 2.48 -0.49 2.79 2.13 -0.09 -1.13 120.64 130.93 2wqt n GLU 250 Ca -0.17 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.55 2wqt n GLU 250 Cb 0.46 -2.72 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 3.79 1.95 0.87 8.31 0.00 -1.26 -4.54 105.19 114.31 2wqt n GLY 251 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.70 -0.61 -0.61 5.41 -0.52 -4.85 119.36 116.87 2wqt n ILE 252 Ca 0.00 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2wqt n ILE 252 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 2wqt n ILE 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wqt n GLY 253 N 2.89 -0.07 3.16 7.39 0.00 -0.28 -3.93 105.19 114.35 2wqt n GLY 253 Ca -0.06 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 0.12 0.02 1.61 1.04 -0.48 -0.30 113.70 111.71 2wqt s SER 254 Ca 0.00 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2wqt s SER 254 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2wqt s SER 254 CO 0.00 -0.56 -0.08 -0.69 0.98 0.00 0.00 173.24 172.89 2wqt s VAL 255 N -2.81 0.59 0.03 5.02 1.01 -0.60 -2.60 120.40 121.04 2wqt s VAL 255 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2wqt s VAL 255 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2wqt s VAL 255 CO -0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 175.10 174.86 2wqt s ALA 256 N -0.80 0.48 -0.05 5.51 0.00 -1.26 -0.82 121.76 124.83 2wqt s ALA 256 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 2wqt s ALA 256 Cb -0.07 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2wqt s ALA 256 CO 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 175.76 176.00 2wqt s ALA 257 N -1.12 -0.61 -0.02 0.00 0.00 -0.18 -0.48 121.76 119.34 2wqt s ALA 257 Ca -0.08 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.37 2wqt s ALA 257 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2wqt s ALA 257 CO 0.00 -0.18 -0.23 0.99 0.00 0.00 0.00 175.76 176.34 2wqt s THR 258 N -0.62 1.83 -0.10 0.00 2.01 -1.01 -0.37 115.64 117.37 2wqt s THR 258 Ca -0.07 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 2wqt s THR 258 Cb -0.04 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2wqt s THR 258 CO 0.02 0.52 0.11 -0.36 -0.69 0.00 0.00 174.62 174.22 2wqt s PHE 259 N -0.52 3.50 0.00 4.92 0.08 -0.22 -0.08 117.98 125.66 2wqt s PHE 259 Ca 0.08 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.58 2wqt s PHE 259 Cb -0.09 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2wqt s PHE 259 CO -0.01 0.68 0.00 -1.13 -0.10 0.00 0.00 175.22 174.66 2wqt n SER 260 N 1.94 -0.11 -0.32 1.36 3.41 -0.27 -2.34 113.62 117.29 2wqt n SER 260 Ca -0.19 -0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.40 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