#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duw s LYS 2 N 0.00 2.28 -0.38 0.03 3.01 -1.26 -5.08 119.74 118.34 2duw s LYS 2 Ca 0.00 -1.17 -0.29 0.00 -1.01 0.00 0.00 55.97 53.50 2duw s LYS 2 Cb 0.00 -2.29 0.02 0.00 -1.01 0.00 0.00 37.83 34.55 2duw s LYS 2 CO 0.00 0.45 1.13 -2.00 0.51 0.00 0.00 175.35 175.44 2duw s GLU 3 N -2.90 3.91 0.36 1.68 2.12 -1.26 -4.98 118.70 117.62 2duw s GLU 3 Ca 0.27 0.89 -0.06 0.00 0.36 0.00 0.00 54.97 56.42 2duw s GLU 3 Cb -0.09 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.49 2duw s GLU 3 CO 0.17 -1.13 0.57 -0.80 -0.54 0.00 0.00 175.26 173.54 2duw s ASN 4 N 2.13 0.66 -0.02 -1.70 -0.87 -1.26 -5.07 114.94 108.81 2duw s ASN 4 Ca 0.48 -1.39 0.05 0.00 -1.57 0.00 0.00 52.86 50.43 2duw s ASN 4 Cb -0.11 0.72 -0.07 0.00 -0.02 0.00 0.00 41.25 41.77 2duw s ASN 4 CO 0.23 -1.41 0.09 0.47 -2.57 0.00 0.00 177.10 173.90 2duw n ASP 5 N -1.41 3.82 -0.00 -1.22 8.00 -1.26 -4.59 116.55 119.88 2duw n ASP 5 Ca -0.02 0.00 0.23 0.00 0.71 0.00 0.00 54.79 55.71 2duw n ASP 5 Cb 0.61 1.07 0.73 0.00 -0.02 0.00 0.00 41.12 43.51 2duw n ASP 5 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2duw h ILE 6 N 0.00 0.48 -0.85 0.53 3.07 -1.97 0.41 117.51 119.18 2duw h ILE 6 Ca -0.04 0.00 0.12 0.00 1.55 0.00 0.00 64.86 66.50 2duw h ILE 6 Cb 0.52 0.63 -0.06 0.00 -0.27 0.00 0.00 36.82 37.64 2duw h ILE 6 CO 0.00 0.00 0.55 0.00 -1.05 0.00 0.00 178.15 177.66 2duw h ALA 7 N 1.54 1.80 0.02 0.16 0.00 -1.98 0.29 119.26 121.09 2duw h ALA 7 Ca 0.27 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 2duw h ALA 7 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2duw h ALA 7 CO -0.00 -0.01 -0.96 0.78 0.00 0.00 0.00 179.25 179.06 2duw h GLY 8 N 0.72 0.31 1.97 0.00 0.00 -1.24 -1.15 103.07 103.68 2duw h GLY 8 Ca 0.41 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 2duw h GLY 8 CO -0.18 0.52 -0.80 -2.22 0.00 0.00 0.00 176.54 173.86 2duw h ILE 9 N 0.14 1.56 0.00 2.60 5.03 -1.25 -0.61 117.51 124.99 2duw h ILE 9 Ca -0.07 -2.70 -0.18 0.00 -0.12 0.00 0.00 64.86 61.79 2duw h ILE 9 Cb 1.61 2.46 -0.03 0.00 -3.03 0.00 0.00 36.82 37.83 2duw h ILE 9 CO 0.15 0.77 -1.12 0.17 -0.68 0.00 0.00 178.15 177.45 2duw h LEU 10 N 0.02 0.00 0.00 1.44 8.10 -0.52 -2.99 115.31 121.36 2duw h LEU 10 Ca -0.01 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 2duw h LEU 10 Cb 1.42 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.63 2duw h LEU 10 CO 0.11 0.70 -0.91 0.00 -4.11 0.00 0.00 178.44 174.22 2duw h THR 11 N 0.00 0.17 0.00 0.15 1.03 -1.21 -3.40 112.91 109.65 2duw h THR 11 Ca -0.11 -1.31 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 2duw h THR 11 Cb 1.63 1.76 0.00 0.00 -1.07 0.00 0.00 68.15 70.46 2duw h THR 11 CO 0.07 0.10 -0.06 -1.28 -0.01 0.00 0.00 175.52 174.34 2duw h SER 12 N 0.00 0.00 -4.28 0.00 0.87 -1.20 -3.49 113.55 105.45 2duw h SER 12 Ca -0.04 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.03 2duw h SER 12 Cb 1.16 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.85 2duw h SER 12 CO 0.01 0.18 -0.81 -0.89 -0.53 0.00 0.00 176.83 174.79 2duw s THR 13 N -1.24 1.25 -0.34 2.23 2.01 -1.13 -5.09 115.64 113.34 2duw s THR 13 Ca -0.02 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.07 2duw s THR 13 Cb 0.00 -1.09 0.08 0.00 0.01 0.00 0.00 72.50 71.50 2duw s THR 13 CO 0.03 0.16 0.06 0.00 -0.69 0.00 0.00 174.62 174.18 2duw s ARG 14 N -0.87 1.99 0.01 4.92 3.03 -1.26 -4.31 118.95 122.46 2duw s ARG 14 Ca 0.04 -1.63 0.00 0.00 2.03 0.00 0.00 55.73 56.17 2duw s ARG 14 Cb -0.07 -3.27 -0.01 0.00 -1.03 0.00 0.00 34.95 30.56 2duw s ARG 14 CO 0.01 -0.85 -0.02 0.99 -1.13 0.00 0.00 175.30 174.30 2duw s THR 15 N 1.09 0.09 -0.12 4.99 2.01 -1.26 -4.74 115.64 117.70 2duw s THR 15 Ca 0.03 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2duw s THR 15 Cb -0.20 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.19 2duw s THR 15 CO -0.05 -0.16 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.04 2duw s ILE 16 N -0.51 0.96 -0.18 1.82 1.09 -0.41 -1.77 121.20 122.20 2duw s ILE 16 Ca -0.05 -0.34 -0.02 0.00 -1.10 0.00 0.00 60.65 59.14 2duw s ILE 16 Cb -0.04 -1.05 -0.01 0.00 -1.06 0.00 0.00 42.46 40.31 2duw s ILE 16 CO -0.00 0.28 -0.08 0.00 -0.10 0.00 0.00 174.94 175.03 2duw s ALA 17 N 1.72 2.74 -0.07 9.38 0.00 -0.92 -0.13 121.76 134.48 2duw s ALA 17 Ca 0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 2duw s ALA 17 Cb -0.13 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 2duw s ALA 17 CO -0.08 -0.09 0.37 -1.17 0.00 0.00 0.00 175.76 174.79 2duw s LEU 18 N 0.91 4.37 -0.27 0.00 2.96 -0.23 -2.17 118.68 124.25 2duw s LEU 18 Ca -0.02 0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 54.60 2duw s LEU 18 Cb -0.15 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 2duw s LEU 18 CO 0.00 0.21 0.06 -0.69 -1.32 0.00 0.00 176.35 174.62 2duw s VAL 19 N -0.34 4.06 0.00 1.68 1.01 -1.24 -0.45 120.40 125.12 2duw s VAL 19 Ca 0.22 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2duw s VAL 19 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2duw s VAL 19 CO 0.10 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2duw n GLY 20 N 4.89 -0.02 3.69 4.51 0.00 0.29 -4.53 105.19 114.02 2duw n GLY 20 Ca -0.16 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 2duw n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2duw s ALA 21 N -1.78 3.27 0.00 4.61 0.00 -1.24 -4.91 121.76 121.71 2duw s ALA 21 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2duw s ALA 21 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2duw s ALA 21 CO 0.00 0.47 0.00 0.45 0.00 0.00 0.00 175.76 176.68 2duw n SER 22 N -0.22 0.00 -2.38 0.00 2.88 -1.26 -4.71 113.62 107.94 2duw n SER 22 Ca -0.09 -0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 56.19 2duw n SER 22 Cb 0.55 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.04 2duw n SER 22 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2duw n ASP 23 N -0.55 7.05 -4.13 -3.46 5.75 -1.26 -4.80 116.55 115.16 2duw n ASP 23 Ca 0.00 -3.47 -0.37 0.00 -0.01 0.00 0.00 54.79 50.94 2duw n ASP 23 Cb 0.00 -1.08 -0.07 0.00 -1.03 0.00 0.00 41.12 38.94 2duw n ASP 23 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2duw s LYS 24 N -2.84 3.17 0.00 0.11 -0.14 -1.26 -4.88 119.74 113.89 2duw s LYS 24 Ca 0.52 -3.05 0.15 0.00 -1.36 0.00 0.00 55.97 52.23 2duw s LYS 24 Cb 0.39 -3.96 0.73 0.00 -1.68 0.00 0.00 37.83 33.31 2duw s LYS 24 CO -0.15 -1.24 1.41 -0.35 -0.76 0.00 0.00 175.35 174.26 2duw n PRO 25 N 2.73 0.19 -0.92 -1.68 -0.04 -1.26 -2.52 135.00 131.49 2duw n PRO 25 Ca 0.18 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.73 2duw n PRO 25 Cb 0.38 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.60 2duw n PRO 25 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2duw n ASP 26 N -1.31 4.43 -4.23 3.54 8.00 -1.26 -4.73 116.55 120.99 2duw n ASP 26 Ca 0.07 -3.10 -0.14 0.00 0.71 0.00 0.00 54.79 52.33 2duw n ASP 26 Cb 0.12 -0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 2duw n ASP 26 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2duw s ARG 27 N -2.70 1.00 0.24 -1.24 1.81 -1.05 -5.03 118.95 111.99 2duw s ARG 27 Ca 0.49 -1.40 0.23 0.00 -1.72 0.00 0.00 55.73 53.32 2duw s ARG 27 Cb 0.39 -0.54 0.96 0.00 -0.45 0.00 0.00 34.95 35.31 2duw s ARG 27 CO 0.12 0.06 1.70 -0.35 -0.68 0.00 0.00 175.30 176.14 2duw n PRO 28 N -0.09 0.18 0.14 3.54 -0.04 -1.26 -2.41 135.00 135.07 2duw n PRO 28 Ca -0.11 0.42 0.02 0.00 -0.04 0.00 0.00 63.50 63.79 2duw n PRO 28 Cb 0.60 -1.85 0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2duw n PRO 28 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2duw h SER 29 N 0.00 0.00 0.05 3.54 4.64 -1.88 -3.12 113.55 116.78 2duw h SER 29 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2duw h SER 29 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2duw h SER 29 CO 0.00 0.53 -1.26 0.22 -0.87 0.00 0.00 176.83 175.46 2duw h TYR 30 N 0.00 0.20 -0.80 4.77 5.03 -1.67 -3.17 116.97 121.34 2duw h TYR 30 Ca -0.01 -0.15 0.17 0.00 2.58 0.00 0.00 58.73 61.33 2duw h TYR 30 Cb 1.27 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.49 2duw h TYR 30 CO 0.00 1.49 0.54 0.07 -1.32 0.00 0.00 178.16 178.94 2duw h ARG 31 N -0.64 0.36 0.06 1.82 0.11 -1.63 0.06 114.38 114.51 2duw h ARG 31 Ca -0.30 -0.02 -0.25 0.00 0.10 0.00 0.00 59.98 59.50 2duw h ARG 31 Cb 1.51 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 32.52 2duw h ARG 31 CO -0.06 0.24 -1.08 0.28 0.10 0.00 0.00 179.97 179.45 2duw h VAL 32 N 0.37 1.40 0.55 0.08 2.07 -1.68 -2.88 116.25 116.15 2duw h VAL 32 Ca 0.40 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.29 2duw h VAL 32 Cb 1.00 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2duw h VAL 32 CO -0.13 0.78 -0.34 -0.03 0.02 0.00 0.00 177.57 177.87 2duw h MET 33 N 0.20 -0.80 0.00 1.57 1.85 -0.97 -0.77 114.93 116.01 2duw h MET 33 Ca -0.11 0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 2duw h MET 33 Cb 1.74 0.18 -0.00 0.00 0.43 0.00 0.00 31.60 33.96 2duw h MET 33 CO 0.19 -0.54 -0.00 -0.22 -0.40 0.00 0.00 176.91 175.94 2duw h LYS 34 N -0.83 0.00 0.07 0.39 3.64 -1.57 -2.21 116.57 116.06 2duw h LYS 34 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2duw h LYS 34 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2duw h LYS 34 CO 0.07 0.00 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.30 2duw h TYR 35 N 0.00 -0.09 -0.43 1.91 3.20 -1.18 0.15 116.97 120.53 2duw h TYR 35 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2duw h TYR 35 Cb 0.01 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2duw h TYR 35 CO 0.00 0.38 0.04 -0.07 -1.64 0.00 0.00 178.16 176.87 2duw h LEU 36 N -0.59 0.62 -0.32 2.82 3.38 -0.67 -1.61 115.31 118.93 2duw h LEU 36 Ca -0.01 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 2duw h LEU 36 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2duw h LEU 36 CO 0.02 0.66 -0.68 -0.07 0.09 0.00 0.00 178.44 178.46 2duw h LEU 37 N 0.63 0.77 0.45 1.67 3.38 -1.42 0.24 115.31 121.03 2duw h LEU 37 Ca 0.14 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2duw h LEU 37 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2duw h LEU 37 CO 0.01 1.24 -0.22 0.44 0.09 0.00 0.00 178.44 180.00 2duw h ASP 38 N 0.48 -0.52 -0.03 -0.43 3.32 -0.64 -2.86 116.42 115.73 2duw h ASP 38 Ca -0.02 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.95 2duw h ASP 38 Cb 1.28 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 2duw h ASP 38 CO 0.13 -0.20 0.03 1.56 -1.72 0.00 0.00 179.24 179.05 2duw h GLN 39 N -0.85 0.00 0.00 3.56 1.08 -1.39 -3.46 115.11 114.05 2duw h GLN 39 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2duw h GLN 39 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2duw h GLN 39 CO 0.10 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.39 2duw n GLY 40 N -1.34 0.80 3.26 3.46 0.00 -0.94 -5.08 105.19 105.35 2duw n GLY 40 Ca -0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2duw n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2duw s TYR 41 N -1.68 1.34 -0.57 1.61 1.51 0.81 -5.00 117.35 115.37 2duw s TYR 41 Ca 0.00 -1.22 -0.22 0.00 -1.01 0.00 0.00 57.07 54.62 2duw s TYR 41 Cb 0.00 -0.75 0.06 0.00 -0.11 0.00 0.00 41.96 41.16 2duw s TYR 41 CO 0.00 -0.42 0.83 -1.58 -1.11 0.00 0.00 175.55 173.28 2duw s HIS 42 N -3.88 2.85 -0.20 2.71 2.46 -1.26 -4.57 115.29 113.41 2duw s HIS 42 Ca 0.35 -0.38 -0.10 0.00 0.47 0.00 0.00 55.06 55.40 2duw s HIS 42 Cb 0.07 -3.97 -0.05 0.00 -0.13 0.00 0.00 32.58 28.51 2duw s HIS 42 CO 0.11 -1.33 0.13 0.08 -2.47 0.00 0.00 174.74 171.26 2duw s VAL 43 N 3.49 5.37 -0.57 0.89 1.01 -1.25 -1.29 120.40 128.05 2duw s VAL 43 Ca 0.22 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2duw s VAL 43 Cb -0.17 -3.45 0.18 0.00 0.00 0.00 0.00 36.38 32.94 2duw s VAL 43 CO 0.14 0.44 0.44 -0.38 0.00 0.00 0.00 175.10 175.74 2duw n ILE 44 N 3.51 0.34 -2.26 2.22 5.41 0.82 -4.82 119.36 124.58 2duw n ILE 44 Ca -0.16 -4.22 -0.35 0.00 1.00 0.00 0.00 62.75 59.01 2duw n ILE 44 Cb 0.52 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 2duw n ILE 44 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2duw s PRO 45 N -0.83 3.42 -0.05 0.38 0.04 -1.26 -1.06 135.00 135.64 2duw s PRO 45 Ca 0.29 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 2duw s PRO 45 Cb 0.01 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2duw s PRO 45 CO -0.18 -0.80 0.09 0.08 0.04 0.00 0.00 177.00 176.24 2duw s VAL 46 N -1.73 -0.14 0.01 -0.36 1.01 0.40 -3.88 120.40 115.71 2duw s VAL 46 Ca 0.71 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 2duw s VAL 46 Cb -0.25 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2duw s VAL 46 CO 0.28 0.15 0.20 -0.44 0.00 0.00 0.00 175.10 175.30 2duw s SER 47 N 2.02 -0.03 0.10 3.32 0.01 0.12 -0.55 113.70 118.70 2duw s SER 47 Ca 0.02 -0.20 0.18 0.00 1.31 0.00 0.00 55.95 57.26 2duw s SER 47 Cb -0.12 0.26 0.76 0.00 0.21 0.00 0.00 66.02 67.13 2duw s SER 47 CO -0.04 -0.46 1.56 -0.81 0.41 0.00 0.00 173.24 173.89 2duw n PRO 48 N 1.10 0.08 -0.05 12.44 -0.04 -1.24 -2.68 135.00 144.61 2duw n PRO 48 Ca -0.21 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2duw n PRO 48 Cb 0.57 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 2duw n PRO 48 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2duw n LYS 49 N -1.80 1.29 -0.20 0.54 4.76 -1.26 -4.38 118.16 117.11 2duw n LYS 49 Ca 0.03 -0.05 0.05 0.00 -2.87 0.00 0.00 58.31 55.47 2duw n LYS 49 Cb 0.19 -1.35 0.15 0.00 -1.84 0.00 0.00 35.03 32.18 2duw n LYS 49 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2duw n VAL 50 N -2.33 0.56 -2.05 -0.18 0.24 -1.09 -4.78 118.33 108.71 2duw n VAL 50 Ca -0.15 -0.48 -0.27 0.00 -2.04 0.00 0.00 64.34 61.40 2duw n VAL 50 Cb 0.74 0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 33.19 2duw n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2duw s ALA 51 N -1.58 1.72 0.00 2.33 0.00 -1.10 -1.72 121.76 121.41 2duw s ALA 51 Ca 0.23 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2duw s ALA 51 Cb 0.13 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2duw s ALA 51 CO 0.14 -5.19 0.00 0.41 0.00 0.00 0.00 175.76 171.13 2duw n GLY 52 N 6.08 0.49 3.43 0.00 0.00 -1.26 -4.78 105.19 109.15 2duw n GLY 52 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2duw n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2duw s LYS 53 N 0.00 1.58 -0.36 1.61 -2.85 -0.70 -4.96 119.74 114.07 2duw s LYS 53 Ca 0.00 -1.70 -0.10 0.00 -1.00 0.00 0.00 55.97 53.17 2duw s LYS 53 Cb 0.00 -1.62 0.02 0.00 -2.06 0.00 0.00 37.83 34.17 2duw s LYS 53 CO 0.00 0.30 0.17 0.95 0.10 0.00 0.00 175.35 176.88 2duw s THR 54 N -2.52 4.40 -0.44 3.79 -4.23 -1.26 -0.07 115.64 115.31 2duw s THR 54 Ca 0.27 -0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 59.72 2duw s THR 54 Cb -0.04 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.39 2duw s THR 54 CO 0.13 -0.17 0.70 -0.22 -0.54 0.00 0.00 174.62 174.52 2duw s LEU 55 N 1.53 4.38 -2.15 4.79 1.98 0.89 -4.05 118.68 126.06 2duw s LEU 55 Ca 0.02 -0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.05 2duw s LEU 55 Cb -0.19 -2.83 0.00 0.00 0.66 0.00 0.00 46.19 43.83 2duw s LEU 55 CO 0.06 -0.82 0.00 0.18 -1.89 0.00 0.00 176.35 173.88 2duw n LEU 56 N 6.43 -1.52 0.00 -0.68 4.77 -1.26 -0.55 117.00 124.19 2duw n LEU 56 Ca -0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2duw n LEU 56 Cb 0.48 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 2duw n LEU 56 CO 0.55 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.21 2duw n GLY 57 N -0.42 0.25 3.65 -0.72 0.00 -1.26 -5.06 105.19 101.64 2duw n GLY 57 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2duw n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2duw s GLN 58 N -0.84 4.13 0.19 1.61 -1.52 0.29 -5.01 119.66 118.51 2duw s GLN 58 Ca 0.00 0.16 -0.32 0.00 -1.95 0.00 0.00 55.36 53.25 2duw s GLN 58 Cb 0.00 -3.57 -0.11 0.00 -0.22 0.00 0.00 33.01 29.11 2duw s GLN 58 CO 0.00 -0.10 1.72 -1.14 -0.25 0.00 0.00 175.29 175.52 2duw s GLN 59 N 1.52 4.14 0.72 2.91 2.00 -1.26 -0.08 119.66 129.60 2duw s GLN 59 Ca 0.18 2.57 -0.06 0.00 -2.00 0.00 0.00 55.36 56.05 2duw s GLN 59 Cb -0.15 -3.18 0.08 0.00 0.80 0.00 0.00 33.01 30.57 2duw s GLN 59 CO 0.08 -0.75 1.02 0.20 -0.50 0.00 0.00 175.29 175.34 2duw s GLY 60 N 1.44 1.73 -0.22 2.59 0.00 0.90 -4.46 107.32 109.29 2duw s GLY 60 Ca 0.75 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 44.17 2duw s GLY 60 CO 0.33 -0.67 0.58 -0.19 0.00 0.00 0.00 173.10 173.14 2duw s TYR 61 N -3.24 -0.71 0.59 1.90 2.02 -1.19 -4.09 117.35 112.63 2duw s TYR 61 Ca 0.62 1.63 0.30 0.00 -0.37 0.00 0.00 57.07 59.25 2duw s TYR 61 Cb -0.09 0.30 1.74 0.00 -0.40 0.00 0.00 41.96 43.52 2duw s TYR 61 CO 0.45 -0.35 2.16 0.00 -1.57 0.00 0.00 175.55 176.23 2duw h ALA 62 N 5.83 1.67 -1.74 3.71 0.00 -1.82 0.34 119.26 127.25 2duw h ALA 62 Ca -0.30 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.85 2duw h ALA 62 Cb 1.18 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 2duw h ALA 62 CO 0.16 -0.18 0.71 -0.08 0.00 0.00 0.00 179.25 179.86 2duw s THR 63 N -4.61 0.00 -0.23 0.00 -1.32 -1.26 -3.72 115.64 104.49 2duw s THR 63 Ca -0.05 -0.16 0.25 0.00 -1.21 0.00 0.00 61.69 60.52 2duw s THR 63 Cb 0.15 -1.44 0.26 0.00 -1.51 0.00 0.00 72.50 69.96 2duw s THR 63 CO 0.54 0.00 1.75 0.17 -2.21 0.00 0.00 174.62 174.87 2duw h LEU 64 N 2.00 0.00 -1.83 9.08 8.10 -1.95 -0.83 115.31 129.88 2duw h LEU 64 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.79 2duw h LEU 64 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 2duw h LEU 64 CO 0.26 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.59 2duw n ALA 65 N -1.82 2.62 -0.01 0.17 0.00 -1.26 -3.77 120.51 116.44 2duw n ALA 65 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 53.44 52.62 2duw n ALA 65 Cb 0.13 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 2duw n ALA 65 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2duw n ASP 66 N 0.72 3.02 -4.74 0.00 2.03 -0.32 -4.99 116.55 112.27 2duw n ASP 66 Ca 0.15 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.07 2duw n ASP 66 Cb 0.47 1.34 -0.05 0.00 -0.72 0.00 0.00 41.12 42.16 2duw n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2duw s VAL 67 N -2.57 4.88 0.10 5.18 0.11 -1.24 -4.98 120.40 121.88 2duw s VAL 67 Ca -0.03 1.51 -0.15 0.00 -2.93 0.00 0.00 61.98 60.38 2duw s VAL 67 Cb 0.05 -4.06 -0.09 0.00 -1.53 0.00 0.00 36.38 30.76 2duw s VAL 67 CO 0.36 0.33 1.42 1.55 -3.33 0.00 0.00 175.10 175.43 2duw h PRO 68 N 6.07 0.69 -7.12 1.54 0.13 -1.94 -3.45 132.00 127.93 2duw h PRO 68 Ca -0.43 -0.36 -0.49 0.00 -0.87 0.00 0.00 66.00 63.85 2duw h PRO 68 Cb 1.20 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.40 2duw h PRO 68 CO 0.72 0.98 0.39 -2.00 -0.23 0.00 0.00 178.00 177.86 2duw s GLU 69 N -4.37 3.47 -0.17 0.86 2.56 -1.26 -5.04 118.70 114.76 2duw s GLU 69 Ca -0.12 1.38 -0.08 0.00 0.00 0.00 0.00 54.97 56.15 2duw s GLU 69 Cb 0.09 -2.04 -0.04 0.00 2.00 0.00 0.00 34.13 34.13 2duw s GLU 69 CO 0.83 -0.71 0.10 0.15 -0.56 0.00 0.00 175.26 175.07 2duw s LYS 70 N -3.56 3.86 0.37 4.30 -0.14 -1.26 -5.08 119.74 118.22 2duw s LYS 70 Ca 0.68 -0.25 -0.26 0.00 -1.36 0.00 0.00 55.97 54.78 2duw s LYS 70 Cb -0.18 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.63 2duw s LYS 70 CO 0.28 0.43 1.08 0.54 -0.76 0.00 0.00 175.35 176.93 2duw s VAL 71 N -0.06 3.55 -0.15 3.17 0.11 -1.26 -4.97 120.40 120.80 2duw s VAL 71 Ca 0.08 1.30 0.08 0.00 -2.93 0.00 0.00 61.98 60.52 2duw s VAL 71 Cb -0.12 -3.72 -0.23 0.00 -1.53 0.00 0.00 36.38 30.78 2duw s VAL 71 CO 0.00 0.11 0.25 -0.67 -3.33 0.00 0.00 175.10 171.47 2duw n ASP 72 N 0.27 1.07 -3.62 3.54 2.03 -1.26 -4.18 116.55 114.39 2duw n ASP 72 Ca 0.03 0.14 -0.25 0.00 0.52 0.00 0.00 54.79 55.23 2duw n ASP 72 Cb 0.48 0.04 -0.17 0.00 -0.72 0.00 0.00 41.12 40.74 2duw n ASP 72 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2duw s MET 73 N -2.54 0.06 -0.19 -0.67 1.75 -0.73 -2.70 119.30 114.28 2duw s MET 73 Ca -0.16 -0.02 -0.21 0.00 -1.25 0.00 0.00 55.69 54.05 2duw s MET 73 Cb 0.07 -1.63 -0.02 0.00 2.84 0.00 0.00 34.83 36.09 2duw s MET 73 CO 0.77 -0.61 0.65 0.08 -0.65 0.00 0.00 175.02 175.26 2duw s VAL 74 N 2.13 5.01 -0.21 10.11 1.01 -0.91 -2.16 120.40 135.38 2duw s VAL 74 Ca 0.02 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 2duw s VAL 74 Cb -0.15 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2duw s VAL 74 CO -0.08 0.10 -0.03 -1.81 0.00 0.00 0.00 175.10 173.28 2duw s ASP 75 N 1.18 4.40 -0.28 3.32 1.11 -0.92 -0.05 116.67 125.43 2duw s ASP 75 Ca 0.30 -0.35 -0.07 0.00 0.18 0.00 0.00 52.55 52.61 2duw s ASP 75 Cb -0.16 -1.75 -0.00 0.00 1.07 0.00 0.00 42.92 42.07 2duw s ASP 75 CO 0.11 -0.00 0.08 -0.69 1.18 0.00 0.00 175.17 175.85 2duw s VAL 76 N 1.37 4.10 0.00 -1.27 1.01 -0.38 -3.72 120.40 121.51 2duw s VAL 76 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2duw s VAL 76 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2duw s VAL 76 CO -0.02 0.16 0.05 0.49 0.00 0.00 0.00 175.10 175.78 2duw n PHE 77 N 4.89 0.00 0.00 5.22 3.72 -1.26 -3.46 117.46 126.57 2duw n PHE 77 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2duw n PHE 77 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2duw n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2duw n ARG 78 N -0.91 0.00 -3.90 -1.08 1.74 -1.26 -4.63 116.66 106.62 2duw n ARG 78 Ca 0.00 0.51 -0.11 0.00 -0.77 0.00 0.00 57.85 57.48 2duw n ARG 78 Cb 0.00 -1.30 0.01 0.00 -1.02 0.00 0.00 32.46 30.15 2duw n ARG 78 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2duw s ASN 79 N -2.43 0.36 -0.06 0.55 -0.87 -1.26 -5.00 114.94 106.23 2duw s ASN 79 Ca 0.00 -1.30 -0.18 0.00 -1.57 0.00 0.00 52.86 49.81 2duw s ASN 79 Cb 0.00 0.80 -0.13 0.00 -0.02 0.00 0.00 41.25 41.91 2duw s ASN 79 CO 0.00 -1.59 0.71 0.77 -2.57 0.00 0.00 177.10 174.42 2duw h SER 80 N 2.02 -0.22 -0.39 -1.22 4.64 -1.96 -3.23 113.55 113.19 2duw h SER 80 Ca -0.32 -0.26 0.11 0.00 -0.47 0.00 0.00 61.79 60.85 2duw h SER 80 Cb 1.25 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2duw h SER 80 CO 0.41 0.33 0.32 -0.33 -0.87 0.00 0.00 176.83 176.69 2duw h GLU 81 N -0.95 0.00 0.00 4.77 5.08 -2.01 0.19 114.58 121.66 2duw h GLU 81 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2duw h GLU 81 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2duw h GLU 81 CO 0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.87 2duw h ALA 82 N 1.73 1.35 -0.88 3.43 0.00 -1.97 -2.86 119.26 120.06 2duw h ALA 82 Ca 0.19 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2duw h ALA 82 Cb 0.83 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 2duw h ALA 82 CO -0.00 0.23 0.48 0.00 0.00 0.00 0.00 179.25 179.96 2duw h ALA 83 N 1.81 1.32 0.26 0.00 0.00 -0.64 0.68 119.26 122.70 2duw h ALA 83 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2duw h ALA 83 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2duw h ALA 83 CO 0.02 -0.02 -0.13 2.35 0.00 0.00 0.00 179.25 181.48 2duw h TRP 84 N 0.70 -0.33 -1.00 0.00 2.91 -1.65 0.18 115.95 116.76 2duw h TRP 84 Ca 0.47 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.58 2duw h TRP 84 Cb 0.61 0.11 -0.08 0.00 -0.51 0.00 0.00 29.16 29.29 2duw h TRP 84 CO -0.07 -0.01 0.64 0.78 -1.03 0.00 0.00 178.44 178.75 2duw h GLY 85 N -0.67 1.59 1.53 2.65 0.00 -1.50 -1.74 103.07 104.93 2duw h GLY 85 Ca -0.04 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.63 2duw h GLY 85 CO 0.06 0.23 -0.90 -2.08 0.00 0.00 0.00 176.54 173.86 2duw h VAL 86 N 1.07 1.39 0.23 4.60 2.07 -0.84 -3.01 116.25 121.75 2duw h VAL 86 Ca 0.47 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2duw h VAL 86 Cb 0.36 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2duw h VAL 86 CO -0.23 0.71 -0.24 0.00 0.02 0.00 0.00 177.57 177.83 2duw h ALA 87 N 0.76 -0.48 -0.81 1.67 0.00 0.21 0.43 119.26 121.04 2duw h ALA 87 Ca -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2duw h ALA 87 Cb 1.52 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 2duw h ALA 87 CO 0.16 -0.80 0.52 -0.56 0.00 0.00 0.00 179.25 178.57 2duw h GLN 88 N -0.50 1.01 -0.34 0.00 3.07 -1.48 -0.48 115.11 116.40 2duw h GLN 88 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 2duw h GLN 88 Cb 0.47 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 2duw h GLN 88 CO -0.06 0.67 0.21 0.93 0.09 0.00 0.00 178.83 180.67 2duw h GLU 89 N 1.04 0.45 0.00 0.06 5.08 -1.33 0.19 114.58 120.09 2duw h GLU 89 Ca 0.31 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2duw h GLU 89 Cb -0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2duw h GLU 89 CO -0.09 0.32 -0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2duw h ALA 90 N 1.10 -0.01 -0.22 3.43 0.00 -0.52 -2.35 119.26 120.70 2duw h ALA 90 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2duw h ALA 90 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2duw h ALA 90 CO -0.02 -0.42 0.02 0.82 0.00 0.00 0.00 179.25 179.65 2duw h ILE 91 N -0.17 1.13 0.08 0.00 2.04 -0.97 0.33 117.51 119.95 2duw h ILE 91 Ca -0.00 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2duw h ILE 91 Cb 0.17 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2duw h ILE 91 CO 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 178.15 178.28 2duw h ALA 92 N 1.71 -0.10 -0.01 1.87 0.00 -0.36 -3.06 119.26 119.32 2duw h ALA 92 Ca 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2duw h ALA 92 Cb 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2duw h ALA 92 CO 0.00 -0.48 -0.72 -0.84 0.00 0.00 0.00 179.25 177.22 2duw h ILE 93 N -0.26 1.50 0.00 0.00 3.07 -1.19 -3.48 117.51 117.15 2duw h ILE 93 Ca -0.01 -2.41 0.00 0.00 1.55 0.00 0.00 64.86 63.99 2duw h ILE 93 Cb 0.22 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 2duw h ILE 93 CO 0.02 0.69 0.00 0.61 -1.05 0.00 0.00 178.15 178.42 2duw n GLY 94 N 0.52 0.58 3.58 0.16 0.00 0.59 -5.11 105.19 105.52 2duw n GLY 94 Ca -0.01 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2duw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2duw s ALA 95 N -0.80 0.57 0.00 4.61 0.00 0.85 -4.98 121.76 122.02 2duw s ALA 95 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2duw s ALA 95 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2duw s ALA 95 CO 0.00 -3.64 0.00 1.63 0.00 0.00 0.00 175.76 173.75 2duw n LYS 96 N -4.80 2.07 -3.78 0.00 5.02 -1.26 -4.95 118.16 110.45 2duw n LYS 96 Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2duw n LYS 96 Cb 0.60 -0.97 -0.07 0.00 -0.02 0.00 0.00 35.03 34.57 2duw n LYS 96 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2duw s THR 97 N -1.94 0.11 -0.02 -0.18 2.01 -1.10 -4.23 115.64 110.29 2duw s THR 97 Ca 0.00 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.12 2duw s THR 97 Cb 0.00 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.39 2duw s THR 97 CO 0.00 -0.49 0.01 -0.22 -0.69 0.00 0.00 174.62 173.23 2duw s LEU 98 N -2.52 1.35 0.01 4.42 2.96 0.11 -2.14 118.68 122.87 2duw s LEU 98 Ca 0.00 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2duw s LEU 98 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 2duw s LEU 98 CO -0.08 -0.08 -0.14 0.86 -1.32 0.00 0.00 176.35 175.59 2duw s TRP 99 N 0.77 1.20 0.21 5.38 -0.11 0.93 -1.33 118.94 125.99 2duw s TRP 99 Ca -0.07 -0.29 0.00 0.00 1.22 0.00 0.00 56.10 56.96 2duw s TRP 99 Cb -0.10 -0.74 0.00 0.00 -1.50 0.00 0.00 33.47 31.13 2duw s TRP 99 CO -0.02 0.01 0.01 1.28 -4.62 0.00 0.00 176.95 173.61 2duw n LEU 100 N 2.33 0.00 -4.90 5.86 4.77 -0.70 -1.25 117.00 123.11 2duw n LEU 100 Ca -0.16 -1.27 -0.29 0.00 -0.03 0.00 0.00 56.01 54.26 2duw n LEU 100 Cb 0.55 0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.86 2duw n LEU 100 CO 0.24 -0.19 0.78 -1.10 -1.33 0.00 0.00 177.39 175.78 2duw s GLN 101 N -2.75 2.05 -0.01 3.23 -1.52 -1.22 -4.43 119.66 115.01 2duw s GLN 101 Ca 0.01 0.11 -0.23 0.00 -1.95 0.00 0.00 55.36 53.30 2duw s GLN 101 Cb -0.00 -1.97 -0.05 0.00 -0.22 0.00 0.00 33.01 30.77 2duw s GLN 101 CO 0.00 -1.53 0.68 -0.51 -0.25 0.00 0.00 175.29 173.69 2duw s LEU 102 N -5.54 4.39 0.00 2.90 1.43 -1.26 -2.69 118.68 117.91 2duw s LEU 102 Ca 0.62 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2duw s LEU 102 Cb -0.11 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.04 2duw s LEU 102 CO 0.49 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.68 2duw n GLY 103 N 2.67 1.36 3.82 -3.19 0.00 -1.26 -4.92 105.19 103.67 2duw n GLY 103 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2duw n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duw s VAL 104 N -2.31 4.82 -0.24 1.61 0.11 -1.24 -4.95 120.40 118.19 2duw s VAL 104 Ca 0.00 1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 60.07 2duw s VAL 104 Cb 0.00 -3.82 0.08 0.00 -1.53 0.00 0.00 36.38 31.11 2duw s VAL 104 CO 0.00 0.47 0.08 -0.63 -3.33 0.00 0.00 175.10 171.68 2duw s ILE 105 N -1.21 0.44 -0.59 7.04 1.01 -1.26 -2.53 121.20 124.09 2duw s ILE 105 Ca 0.31 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 2duw s ILE 105 Cb -0.18 -1.15 0.15 0.00 0.01 0.00 0.00 42.46 41.30 2duw s ILE 105 CO 0.18 -0.44 0.38 0.20 0.00 0.00 0.00 174.94 175.26 2duw s ASN 106 N 1.87 4.92 0.35 3.58 -0.87 -1.26 -4.93 114.94 118.60 2duw s ASN 106 Ca 0.04 -2.92 0.02 0.00 -1.57 0.00 0.00 52.86 48.43 2duw s ASN 106 Cb -0.17 -1.78 0.62 0.00 -0.02 0.00 0.00 41.25 39.90 2duw s ASN 106 CO -0.18 -0.32 1.98 -0.08 -2.57 0.00 0.00 177.10 175.93 2duw h GLU 107 N 6.83 0.79 -0.66 -0.60 4.81 -1.99 -1.54 114.58 122.22 2duw h GLU 107 Ca -0.03 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2duw h GLU 107 Cb 0.93 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2duw h GLU 107 CO 0.70 0.56 0.18 1.96 -0.73 0.00 0.00 179.01 181.68 2duw h GLN 108 N 0.81 1.05 0.00 1.92 1.08 -2.00 -2.26 115.11 115.71 2duw h GLN 108 Ca 0.21 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 2duw h GLN 108 Cb -0.02 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 2duw h GLN 108 CO -0.04 0.93 -0.52 0.00 -0.95 0.00 0.00 178.83 178.25 2duw h ALA 109 N 1.07 1.11 -0.15 3.87 0.00 -1.80 -2.35 119.26 121.02 2duw h ALA 109 Ca 0.21 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2duw h ALA 109 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2duw h ALA 109 CO -0.00 0.65 -0.46 0.00 0.00 0.00 0.00 179.25 179.44 2duw h ALA 110 N 1.48 0.94 0.01 0.00 0.00 -0.92 -3.04 119.26 117.72 2duw h ALA 110 Ca -0.01 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2duw h ALA 110 Cb 0.94 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2duw h ALA 110 CO 0.07 0.65 -0.51 0.28 0.00 0.00 0.00 179.25 179.73 2duw h VAL 111 N 0.29 1.47 -0.89 0.00 2.07 -1.26 -1.78 116.25 116.15 2duw h VAL 111 Ca 0.02 -2.07 0.20 0.00 0.82 0.00 0.00 66.70 65.66 2duw h VAL 111 Cb 0.93 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 33.32 2duw h VAL 111 CO 0.08 0.59 0.59 0.25 0.02 0.00 0.00 177.57 179.10 2duw h LEU 112 N -0.24 0.43 0.01 2.57 5.85 -1.44 0.18 115.31 122.67 2duw h LEU 112 Ca -0.07 0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.43 2duw h LEU 112 Cb 1.24 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2duw h LEU 112 CO 0.10 0.18 -1.45 0.00 -0.34 0.00 0.00 178.44 176.93 2duw h ALA 113 N 1.61 0.58 -0.13 1.25 0.00 -1.57 -3.31 119.26 117.70 2duw h ALA 113 Ca 0.46 -1.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.02 2duw h ALA 113 Cb 1.12 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2duw h ALA 113 CO -0.18 1.43 -0.40 -0.09 0.00 0.00 0.00 179.25 180.01 2duw h ARG 114 N 0.01 0.30 -0.23 0.00 9.65 -0.03 0.34 114.38 124.41 2duw h ARG 114 Ca -0.19 -0.14 -0.12 0.00 -1.10 0.00 0.00 59.98 58.43 2duw h ARG 114 Cb 1.93 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.49 2duw h ARG 114 CO 0.10 0.66 -0.36 0.93 2.80 0.00 0.00 179.97 184.11 2duw h GLU 115 N 0.25 0.51 0.00 0.20 5.08 -0.86 -3.05 114.58 116.71 2duw h GLU 115 Ca 0.02 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 2duw h GLU 115 Cb 0.82 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2duw h GLU 115 CO 0.07 0.80 -1.13 0.00 -1.00 0.00 0.00 179.01 177.74 2duw h ALA 116 N 1.19 0.63 0.00 3.43 0.00 -1.59 -3.48 119.26 119.43 2duw h ALA 116 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2duw h ALA 116 Cb 0.82 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2duw h ALA 116 CO 0.07 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2duw n GLY 117 N 1.31 0.88 3.40 0.00 0.00 0.84 -5.09 105.19 106.52 2duw n GLY 117 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2duw n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2duw n LEU 118 N 0.00 -0.52 -4.24 0.99 7.99 0.80 -4.90 117.00 117.13 2duw n LEU 118 Ca 0.00 0.32 -0.43 0.00 -0.01 0.00 0.00 56.01 55.89 2duw n LEU 118 Cb 0.00 -1.18 -0.06 0.00 -0.11 0.00 0.00 43.42 42.07 2duw n LEU 118 CO 0.00 -3.75 0.17 -0.44 -1.51 0.00 0.00 177.39 171.85 2duw s SER 119 N -1.97 6.05 -0.07 -1.43 0.01 -1.26 -4.38 113.70 110.65 2duw s SER 119 Ca 0.56 -2.33 -0.17 0.00 1.31 0.00 0.00 55.95 55.32 2duw s SER 119 Cb -0.21 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2duw s SER 119 CO 0.68 -0.62 0.45 0.54 0.41 0.00 0.00 173.24 174.70 2duw s VAL 120 N 0.73 5.11 -0.20 3.43 0.11 -1.26 -0.72 120.40 127.59 2duw s VAL 120 Ca 0.11 0.91 -0.04 0.00 -2.93 0.00 0.00 61.98 60.03 2duw s VAL 120 Cb -0.20 -3.77 0.07 0.00 -1.53 0.00 0.00 36.38 30.94 2duw s VAL 120 CO -0.03 0.43 0.08 -0.69 -3.33 0.00 0.00 175.10 171.56 2duw s VAL 121 N -0.09 0.19 0.49 2.04 1.01 -0.44 -4.98 120.40 118.62 2duw s VAL 121 Ca 0.25 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2duw s VAL 121 Cb -0.16 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.42 2duw s VAL 121 CO 0.12 -0.34 0.45 1.15 0.00 0.00 0.00 175.10 176.48 2duw n MET 122 N 5.17 0.74 -3.15 2.72 0.00 -1.26 -1.73 117.12 119.61 2duw n MET 122 Ca -0.07 -2.97 -0.22 0.00 0.00 0.00 0.00 57.70 54.44 2duw n MET 122 Cb 0.47 0.19 0.01 0.00 0.00 0.00 0.00 33.22 33.88 2duw n MET 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2duw n ASP 123 N -1.99 -4.41 -3.76 3.17 2.03 -1.05 -4.92 116.55 105.60 2duw n ASP 123 Ca 0.02 -0.29 -0.13 0.00 0.52 0.00 0.00 54.79 54.92 2duw n ASP 123 Cb 0.55 -3.63 -0.11 0.00 -0.72 0.00 0.00 41.12 37.20 2duw n ASP 123 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2duw s ARG 124 N -5.80 0.32 -0.08 -0.67 0.52 -1.21 -4.56 118.95 107.47 2duw s ARG 124 Ca 0.32 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 56.01 2duw s ARG 124 Cb -0.16 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.42 2duw s ARG 124 CO 0.40 -0.07 -0.16 0.00 0.02 0.00 0.00 175.30 175.48 2duw h PRO 126 N 6.99 0.00 -0.48 0.00 0.13 -1.97 -1.56 132.00 135.11 2duw h PRO 126 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2duw h PRO 126 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2duw h PRO 126 CO 0.48 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.19 2duw h ALA 127 N 2.24 0.65 0.00 -0.56 0.00 -1.99 -2.31 119.26 117.29 2duw h ALA 127 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2duw h ALA 127 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2duw h ALA 127 CO 0.00 0.51 -1.76 -0.89 0.00 0.00 0.00 179.25 177.12 2duw n ILE 128 N -4.28 0.11 -0.04 0.00 5.41 -1.15 -4.34 119.36 115.07 2duw n ILE 128 Ca 0.00 -0.48 -0.13 0.00 1.00 0.00 0.00 62.75 63.15 2duw n ILE 128 Cb 0.35 -0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.20 2duw n ILE 128 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2duw h GLU 129 N 0.00 0.21 -0.08 0.38 4.81 -1.29 -2.53 114.58 116.08 2duw h GLU 129 Ca 0.00 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2duw h GLU 129 Cb 0.97 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2duw h GLU 129 CO 0.00 0.67 -0.41 1.25 -0.73 0.00 0.00 179.01 179.80 2duw h LEU 130 N -0.25 -1.26 0.00 1.64 5.85 -1.62 0.12 115.31 119.80 2duw h LEU 130 Ca 0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2duw h LEU 130 Cb 0.65 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2duw h LEU 130 CO 0.02 -0.43 0.00 -0.81 -0.34 0.00 0.00 178.44 176.88 2duw n PRO 131 N -5.44 0.27 0.11 5.25 -0.04 -1.24 -0.00 135.00 133.91 2duw n PRO 131 Ca -0.05 0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 2duw n PRO 131 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2duw n PRO 131 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2duw h ARG 132 N 0.00 0.34 0.00 0.54 0.11 -0.31 -2.59 114.38 112.47 2duw h ARG 132 Ca 0.00 -0.54 -0.11 0.00 0.10 0.00 0.00 59.98 59.43 2duw h ARG 132 Cb 0.11 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 2duw h ARG 132 CO 0.00 1.25 -1.41 -0.11 0.10 0.00 0.00 179.97 179.79 2duw n LEU 133 N -3.59 0.25 -0.00 0.08 7.94 -1.08 -4.68 117.00 115.91 2duw n LEU 133 Ca -0.10 -0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.84 2duw n LEU 133 Cb 1.01 0.11 -0.12 0.00 0.53 0.00 0.00 43.42 44.96 2duw n LEU 133 CO 0.55 0.19 -0.61 0.61 -1.11 0.00 0.00 177.39 177.02 2duw n GLY 134 N 2.67 -1.12 2.36 -3.96 0.00 1.00 -4.98 105.19 101.16 2duw n GLY 134 Ca -0.10 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 2duw n GLY 134 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2duw n LEU 135 N -2.57 -1.62 -4.27 0.99 7.94 -0.97 -4.92 117.00 111.58 2duw n LEU 135 Ca -0.11 0.10 -0.33 0.00 -1.11 0.00 0.00 56.01 54.56 2duw n LEU 135 Cb 0.75 -2.44 0.15 0.00 0.53 0.00 0.00 43.42 42.41 2duw n LEU 135 CO 0.44 -0.36 -0.64 0.00 -1.11 0.00 0.00 177.39 175.72 2duw n ALA 136 N -0.97 -4.12 0.00 1.96 0.00 -1.26 -4.91 120.51 111.21 2duw n ALA 136 Ca -0.19 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.06 2duw n ALA 136 Cb 0.62 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2duw n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13