#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 3.12 -0.12 3.17 -2.85 -1.26 -5.04 119.74 116.76 2duw s LYS 2 Ca 0.00 -0.74 -0.10 0.00 -1.00 0.00 0.00 55.97 54.13 2duw s LYS 2 Cb 0.00 -2.49 -0.08 0.00 -2.06 0.00 0.00 37.83 33.20 2duw s LYS 2 CO 0.00 0.28 0.17 0.93 0.10 0.00 0.00 175.35 176.83 2duw h GLU 3 N 6.45 0.00 -7.13 1.78 5.08 -1.84 -3.47 114.58 115.45 2duw h GLU 3 Ca -0.28 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.69 2duw h GLU 3 Cb 1.21 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.67 2duw h GLU 3 CO 0.52 0.30 -0.05 1.21 -1.00 0.00 0.00 179.01 179.99 2duw s ASN 4 N -5.82 -0.62 -0.95 1.42 3.84 -1.26 -4.22 114.94 107.33 2duw s ASN 4 Ca -0.09 0.78 -0.04 0.00 0.21 0.00 0.00 52.86 53.72 2duw s ASN 4 Cb -0.00 -1.09 -0.05 0.00 -0.55 0.00 0.00 41.25 39.56 2duw s ASN 4 CO 0.23 -5.09 0.85 0.47 -2.79 0.00 0.00 177.10 170.78 2duw n ASP 5 N -5.43 -7.00 -0.01 -4.21 8.00 -1.26 -4.79 116.55 101.85 2duw n ASP 5 Ca 0.13 -0.51 0.23 0.00 0.71 0.00 0.00 54.79 55.35 2duw n ASP 5 Cb 0.60 -5.20 0.72 0.00 -0.02 0.00 0.00 41.12 37.22 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 -0.60 0.46 -0.95 0.53 3.07 -1.95 0.76 117.51 118.83 2duw h ILE 6 Ca -0.42 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.05 2duw h ILE 6 Cb 1.21 0.61 -0.06 0.00 -0.27 0.00 0.00 36.82 38.31 2duw h ILE 6 CO 0.40 0.00 0.62 0.00 -1.05 0.00 0.00 178.15 178.12 2duw h ALA 7 N 1.52 1.44 0.02 0.16 0.00 -1.96 0.29 119.26 120.72 2duw h ALA 7 Ca 0.28 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 2duw h ALA 7 Cb 1.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2duw h ALA 7 CO -0.00 0.43 -0.95 0.78 0.00 0.00 0.00 179.25 179.50 2duw h GLY 8 N 1.13 0.28 1.95 0.00 0.00 -1.17 -1.20 103.07 104.06 2duw h GLY 8 Ca 0.40 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 2duw h GLY 8 CO -0.15 0.48 -0.78 -2.22 0.00 0.00 0.00 176.54 173.87 2duw h ILE 9 N 0.13 1.53 0.00 2.60 5.03 -1.28 -0.65 117.51 124.88 2duw h ILE 9 Ca -0.06 -2.60 -0.19 0.00 -0.12 0.00 0.00 64.86 61.89 2duw h ILE 9 Cb 1.61 2.41 -0.03 0.00 -3.03 0.00 0.00 36.82 37.77 2duw h ILE 9 CO 0.15 0.75 -1.16 0.17 -0.68 0.00 0.00 178.15 177.38 2duw h LEU 10 N 0.03 0.00 0.00 1.44 8.10 -0.49 -2.94 115.31 121.45 2duw h LEU 10 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 2duw h LEU 10 Cb 1.37 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.59 2duw h LEU 10 CO 0.11 0.75 -0.78 0.00 -4.11 0.00 0.00 178.44 174.40 2duw h THR 11 N 0.00 0.11 0.00 0.15 1.03 -1.21 -3.40 112.91 109.58 2duw h THR 11 Ca -0.12 -1.18 0.00 0.00 -0.01 0.00 0.00 66.41 65.10 2duw h THR 11 Cb 1.67 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.49 2duw h THR 11 CO 0.08 0.06 -0.09 -1.28 -0.01 0.00 0.00 175.52 174.28 2duw h SER 12 N 0.00 0.00 -4.05 0.00 0.87 -1.20 -3.48 113.55 105.68 2duw h SER 12 Ca -0.02 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.03 2duw h SER 12 Cb 1.09 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.75 2duw h SER 12 CO 0.01 0.21 -0.82 -0.89 -0.53 0.00 0.00 176.83 174.81 2duw s THR 13 N -1.30 1.19 -0.38 2.23 2.01 -1.11 -5.09 115.64 113.19 2duw s THR 13 Ca -0.03 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 2duw s THR 13 Cb 0.00 -1.02 0.09 0.00 0.01 0.00 0.00 72.50 71.59 2duw s THR 13 CO 0.04 0.35 0.16 0.00 -0.69 0.00 0.00 174.62 174.48 2duw s ARG 14 N -0.12 2.22 -0.03 4.92 3.03 -1.26 -4.33 118.95 123.39 2duw s ARG 14 Ca 0.01 -1.61 -0.01 0.00 2.03 0.00 0.00 55.73 56.16 2duw s ARG 14 Cb -0.08 -3.52 0.03 0.00 -1.03 0.00 0.00 34.95 30.35 2duw s ARG 14 CO 0.01 -0.93 0.03 0.99 -1.13 0.00 0.00 175.30 174.27 2duw s THR 15 N 1.22 -0.04 -0.03 4.99 2.01 -1.26 -4.41 115.64 118.11 2duw s THR 15 Ca 0.04 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.36 2duw s THR 15 Cb -0.22 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 2duw s THR 15 CO -0.02 0.12 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.19 2duw s ILE 16 N 1.40 2.49 -0.08 1.82 1.09 0.86 -1.24 121.20 127.53 2duw s ILE 16 Ca -0.05 -0.94 0.04 0.00 -1.10 0.00 0.00 60.65 58.60 2duw s ILE 16 Cb -0.13 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.35 2duw s ILE 16 CO -0.03 0.58 -0.21 0.00 -0.10 0.00 0.00 174.94 175.18 2duw s ALA 17 N -0.64 1.91 -0.15 9.38 0.00 -0.39 -0.68 121.76 131.20 2duw s ALA 17 Ca 0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 2duw s ALA 17 Cb -0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2duw s ALA 17 CO -0.00 0.28 0.09 -1.17 0.00 0.00 0.00 175.76 174.95 2duw s LEU 18 N 0.28 4.04 -0.12 0.00 2.96 -0.64 -1.39 118.68 123.81 2duw s LEU 18 Ca -0.14 0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2duw s LEU 18 Cb -0.16 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2duw s LEU 18 CO 0.06 0.29 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.63 2duw s VAL 19 N -0.34 3.68 -0.39 1.68 1.01 -1.25 -0.08 120.40 124.71 2duw s VAL 19 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2duw s VAL 19 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2duw s VAL 19 CO 0.01 0.54 0.34 0.61 0.00 0.00 0.00 175.10 176.60 2duw n GLY 20 N 3.01 0.32 3.59 4.51 0.00 -0.53 -4.59 105.19 111.50 2duw n GLY 20 Ca -0.18 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.11 2.89 0.07 4.61 0.00 -1.24 -4.97 121.76 120.00 2duw s ALA 21 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2duw s ALA 21 Cb -0.03 -4.02 -0.00 0.00 0.00 0.00 0.00 23.12 19.06 2duw s ALA 21 CO 0.23 -2.68 0.00 0.43 0.00 0.00 0.00 175.76 173.73 2duw n SER 22 N 9.58 2.15 -2.70 0.00 7.64 -1.26 -4.65 113.62 124.38 2duw n SER 22 Ca 0.17 -1.29 -0.37 0.00 1.01 0.00 0.00 58.87 58.39 2duw n SER 22 Cb 0.48 0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.78 2duw n SER 22 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2duw n ASP 23 N -1.07 7.51 -4.00 6.43 2.03 -1.26 -4.81 116.55 121.38 2duw n ASP 23 Ca -0.03 -3.77 -0.35 0.00 0.52 0.00 0.00 54.79 51.16 2duw n ASP 23 Cb 0.08 -1.05 -0.07 0.00 -0.72 0.00 0.00 41.12 39.37 2duw n ASP 23 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2duw n LYS 24 N -0.55 2.70 0.00 -0.67 -0.00 -1.26 -4.88 118.16 113.50 2duw n LYS 24 Ca 0.56 -4.51 0.07 0.00 -0.00 0.00 0.00 58.31 54.42 2duw n LYS 24 Cb 0.38 -2.39 0.39 0.00 -0.00 0.00 0.00 35.03 33.42 2duw n LYS 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2duw n PRO 25 N 2.02 0.49 -0.45 -1.58 -0.04 -1.26 -2.15 135.00 132.02 2duw n PRO 25 Ca 0.23 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 2duw n PRO 25 Cb 0.37 -1.43 0.34 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.93 4.24 -4.52 3.54 8.00 -1.26 -4.76 116.55 120.86 2duw n ASP 26 Ca 0.10 -2.13 -0.25 0.00 0.71 0.00 0.00 54.79 53.22 2duw n ASP 26 Cb 0.05 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 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 -1.24 1.80 0.05 -1.24 3.00 -0.91 -5.02 118.95 115.38 2duw s ARG 27 Ca 0.51 -1.80 0.16 0.00 0.00 0.00 0.00 55.73 54.59 2duw s ARG 27 Cb 0.28 -1.79 0.68 0.00 0.00 0.00 0.00 34.95 34.12 2duw s ARG 27 CO 0.31 0.26 1.50 -0.35 0.00 0.00 0.00 175.30 177.02 2duw n PRO 28 N -0.72 0.04 0.13 3.54 -0.04 -1.26 -2.43 135.00 134.25 2duw n PRO 28 Ca -0.05 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2duw n PRO 28 Cb 0.61 -1.57 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 2duw n PRO 28 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2duw h SER 29 N 0.00 0.00 0.06 3.54 0.02 -1.88 -3.12 113.55 112.17 2duw h SER 29 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2duw h SER 29 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2duw h SER 29 CO 0.00 0.63 -1.35 0.22 -1.14 0.00 0.00 176.83 175.19 2duw h TYR 30 N 0.00 0.25 -0.81 3.45 5.03 -1.68 -3.17 116.97 120.03 2duw h TYR 30 Ca -0.01 -0.18 0.17 0.00 2.58 0.00 0.00 58.73 61.30 2duw h TYR 30 Cb 1.34 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.56 2duw h TYR 30 CO 0.00 1.53 0.54 0.07 -1.32 0.00 0.00 178.16 178.98 2duw h ARG 31 N -0.56 0.36 0.08 1.82 0.11 -1.65 -0.23 114.38 114.31 2duw h ARG 31 Ca -0.32 -0.02 -0.27 0.00 0.10 0.00 0.00 59.98 59.47 2duw h ARG 31 Cb 1.57 -0.08 0.02 0.00 1.11 0.00 0.00 29.97 32.59 2duw h ARG 31 CO -0.05 0.24 -1.14 0.28 0.10 0.00 0.00 179.97 179.41 2duw h VAL 32 N 0.37 1.35 0.46 0.08 2.07 -1.68 -2.82 116.25 116.08 2duw h VAL 32 Ca 0.41 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 2duw h VAL 32 Cb 1.02 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 2duw h VAL 32 CO -0.13 0.76 -0.38 -0.03 0.02 0.00 0.00 177.57 177.81 2duw h MET 33 N 0.24 -0.79 0.00 1.57 4.05 -1.03 -0.11 114.93 118.87 2duw h MET 33 Ca -0.14 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2duw h MET 33 Cb 1.81 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 32.78 2duw h MET 33 CO 0.21 -0.52 -0.03 -0.22 0.23 0.00 0.00 176.91 176.58 2duw h LYS 34 N -0.82 0.00 -0.00 0.39 3.11 -1.57 -2.13 116.57 115.56 2duw h LYS 34 Ca -0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2duw h LYS 34 Cb 0.69 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.92 2duw h LYS 34 CO -0.00 0.03 -0.00 -0.92 -2.81 0.00 0.00 179.45 175.74 2duw h TYR 35 N 0.00 0.01 -0.62 1.91 3.20 -1.10 -1.05 116.97 119.32 2duw h TYR 35 Ca -0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2duw h TYR 35 Cb 0.10 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2duw h TYR 35 CO 0.00 0.48 0.06 -0.07 -1.64 0.00 0.00 178.16 176.99 2duw h LEU 36 N -0.46 1.02 -0.44 2.82 3.38 -0.62 -0.81 115.31 120.19 2duw h LEU 36 Ca 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2duw h LEU 36 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2duw h LEU 36 CO 0.00 1.04 0.07 -0.07 0.09 0.00 0.00 178.44 179.57 2duw h LEU 37 N 0.98 0.70 -0.24 1.67 3.38 -1.42 0.21 115.31 120.59 2duw h LEU 37 Ca 0.19 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2duw h LEU 37 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2duw h LEU 37 CO 0.02 0.79 0.01 -0.78 0.09 0.00 0.00 178.44 178.56 2duw h ASP 38 N 0.59 0.41 -0.17 -0.43 1.82 -1.04 -2.64 116.42 114.96 2duw h ASP 38 Ca 0.13 -0.30 0.05 0.00 -0.39 0.00 0.00 57.03 56.52 2duw h ASP 38 Cb 0.38 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2duw h ASP 38 CO 0.01 0.61 0.20 1.56 -1.61 0.00 0.00 179.24 180.01 2duw h GLN 39 N 0.20 0.00 0.00 0.28 1.08 -1.08 -3.45 115.11 112.14 2duw h GLN 39 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2duw h GLN 39 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2duw h GLN 39 CO 0.01 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.30 2duw n GLY 40 N -1.39 1.77 2.52 3.46 0.00 -1.00 -5.07 105.19 105.48 2duw n GLY 40 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2duw n GLY 40 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2duw n TYR 41 N -0.91 -2.62 -3.83 1.61 4.01 0.72 -5.02 117.16 111.12 2duw n TYR 41 Ca 0.00 -1.34 -0.36 0.00 -0.16 0.00 0.00 57.90 56.04 2duw n TYR 41 Cb 0.00 -0.37 -0.13 0.00 -0.31 0.00 0.00 39.34 38.53 2duw n TYR 41 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2duw s HIS 42 N -1.40 3.05 -0.18 -0.72 2.46 -1.26 -4.54 115.29 112.70 2duw s HIS 42 Ca 0.40 -0.83 -0.02 0.00 0.47 0.00 0.00 55.06 55.08 2duw s HIS 42 Cb -0.03 -2.18 -0.01 0.00 -0.13 0.00 0.00 32.58 30.23 2duw s HIS 42 CO 0.25 -0.51 -0.09 0.08 -2.47 0.00 0.00 174.74 172.00 2duw s VAL 43 N 1.52 3.13 -0.74 0.89 1.01 -1.24 -0.10 120.40 124.87 2duw s VAL 43 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2duw s VAL 43 Cb -0.15 -2.37 0.20 0.00 0.00 0.00 0.00 36.38 34.05 2duw s VAL 43 CO 0.00 0.48 0.62 -0.38 0.00 0.00 0.00 175.10 175.82 2duw n ILE 44 N 4.20 2.10 -2.17 2.22 5.41 0.14 -4.86 119.36 126.39 2duw n ILE 44 Ca -0.18 -5.01 -0.42 0.00 1.00 0.00 0.00 62.75 58.14 2duw n ILE 44 Cb 0.52 -2.20 -0.03 0.00 -0.71 0.00 0.00 39.64 37.21 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 -1.68 4.25 -0.14 0.38 0.04 -1.25 -1.62 135.00 134.97 2duw s PRO 45 Ca 0.28 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2duw s PRO 45 Cb -0.01 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.91 2duw s PRO 45 CO -0.13 -0.64 -0.17 0.08 0.04 0.00 0.00 177.00 176.18 2duw s VAL 46 N 2.72 1.72 0.01 -0.36 1.01 0.89 -3.91 120.40 122.49 2duw s VAL 46 Ca 0.66 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2duw s VAL 46 Cb -0.32 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2duw s VAL 46 CO 0.27 0.48 0.19 -0.44 0.00 0.00 0.00 175.10 175.60 2duw s SER 47 N 1.20 -0.01 0.00 3.32 0.01 0.11 -1.45 113.70 116.88 2duw s SER 47 Ca -0.00 -0.22 0.14 0.00 1.31 0.00 0.00 55.95 57.18 2duw s SER 47 Cb -0.14 0.26 0.62 0.00 0.21 0.00 0.00 66.02 66.97 2duw s SER 47 CO -0.07 -0.46 1.46 -0.81 0.41 0.00 0.00 173.24 173.76 2duw n PRO 48 N 1.10 0.01 -0.07 12.44 -0.04 -1.25 -2.28 135.00 144.91 2duw n PRO 48 Ca -0.21 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 2duw n PRO 48 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2duw n PRO 48 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2duw n LYS 49 N -1.49 1.39 0.00 0.54 2.85 -1.26 -4.41 118.16 115.78 2duw n LYS 49 Ca 0.04 0.02 0.13 0.00 -1.05 0.00 0.00 58.31 57.45 2duw n LYS 49 Cb 0.17 -1.35 0.63 0.00 -0.65 0.00 0.00 35.03 33.82 2duw n LYS 49 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2duw n VAL 50 N -2.65 0.12 -1.53 0.58 0.24 -1.13 -4.79 118.33 109.17 2duw n VAL 50 Ca -0.25 0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 61.69 2duw n VAL 50 Cb 0.92 -0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 32.66 2duw n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2duw n ALA 51 N -1.41 0.75 0.00 2.33 0.00 -0.97 -0.06 120.51 121.15 2duw n ALA 51 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2duw n ALA 51 Cb 0.28 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.80 2duw n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2duw n GLY 52 N 6.16 1.12 3.39 0.00 0.00 -1.24 -4.84 105.19 109.77 2duw n GLY 52 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 2duw n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duw s LYS 53 N -0.10 1.79 -0.25 1.61 1.02 0.92 -4.98 119.74 119.74 2duw s LYS 53 Ca 0.00 -2.06 0.03 0.00 0.02 0.00 0.00 55.97 53.96 2duw s LYS 53 Cb 0.00 -0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.22 2duw s LYS 53 CO 0.00 -0.54 -0.11 0.95 -0.92 0.00 0.00 175.35 174.73 2duw s THR 54 N -3.40 2.07 -0.37 2.17 -4.23 -1.26 -0.10 115.64 110.52 2duw s THR 54 Ca 0.33 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.18 2duw s THR 54 Cb 0.03 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 2duw s THR 54 CO 0.20 0.01 0.27 -0.76 -0.54 0.00 0.00 174.62 173.80 2duw s LEU 55 N 1.16 4.78 -2.01 4.79 2.01 0.27 -4.33 118.68 125.34 2duw s LEU 55 Ca -0.07 -0.62 0.00 0.00 0.01 0.00 0.00 54.13 53.44 2duw s LEU 55 Cb -0.19 -2.16 0.00 0.00 0.01 0.00 0.00 46.19 43.85 2duw s LEU 55 CO -0.06 -0.33 0.00 0.18 1.01 0.00 0.00 176.35 177.15 2duw n LEU 56 N 5.14 -1.51 0.00 1.79 4.77 -1.26 -0.33 117.00 125.60 2duw n LEU 56 Ca -0.12 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2duw n LEU 56 Cb 0.49 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 2duw n LEU 56 CO 0.39 -0.87 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 2duw n GLY 57 N -0.49 0.52 3.86 -0.72 0.00 -1.26 -5.06 105.19 102.04 2duw n GLY 57 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.85 3.76 0.08 1.61 -1.52 0.56 -5.05 119.66 118.24 2duw s GLN 58 Ca 0.00 0.19 -0.31 0.00 -1.95 0.00 0.00 55.36 53.29 2duw s GLN 58 Cb 0.00 -3.08 -0.07 0.00 -0.22 0.00 0.00 33.01 29.65 2duw s GLN 58 CO 0.00 0.62 1.35 -1.14 -0.25 0.00 0.00 175.29 175.87 2duw s GLN 59 N -1.62 4.33 0.43 2.91 2.00 -1.26 -0.57 119.66 125.88 2duw s GLN 59 Ca 0.29 1.99 -0.15 0.00 -2.00 0.00 0.00 55.36 55.49 2duw s GLN 59 Cb -0.14 -3.35 -0.08 0.00 0.80 0.00 0.00 33.01 30.24 2duw s GLN 59 CO 0.16 -0.44 0.87 0.20 -0.50 0.00 0.00 175.29 175.58 2duw s GLY 60 N 1.29 2.11 -0.08 2.59 0.00 0.85 -4.59 107.32 109.50 2duw s GLY 60 Ca 0.63 0.06 -0.06 0.00 0.00 0.00 0.00 44.72 45.36 2duw s GLY 60 CO 0.29 0.30 0.19 -0.19 0.00 0.00 0.00 173.10 173.69 2duw s TYR 61 N -2.37 -0.22 0.33 1.90 2.02 -1.25 -3.69 117.35 114.06 2duw s TYR 61 Ca 0.56 0.55 0.05 0.00 -0.37 0.00 0.00 57.07 57.87 2duw s TYR 61 Cb -0.10 0.04 0.57 0.00 -0.40 0.00 0.00 41.96 42.06 2duw s TYR 61 CO 0.26 -0.14 1.81 0.00 -1.57 0.00 0.00 175.55 175.92 2duw h ALA 62 N 6.36 1.28 -2.56 3.71 0.00 -1.88 0.30 119.26 126.48 2duw h ALA 62 Ca -0.31 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 2duw h ALA 62 Cb 1.18 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.68 2duw h ALA 62 CO 0.39 0.48 -0.29 0.95 0.00 0.00 0.00 179.25 180.79 2duw s THR 63 N -4.62 0.09 -0.35 0.00 -4.23 -1.26 -3.79 115.64 101.48 2duw s THR 63 Ca -0.06 -0.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.99 2duw s THR 63 Cb 0.15 -0.89 0.26 0.00 1.34 0.00 0.00 72.50 73.35 2duw s THR 63 CO 0.77 -0.39 1.74 0.17 -0.54 0.00 0.00 174.62 176.37 2duw h LEU 64 N 3.35 0.00 -0.99 4.79 8.10 -1.93 -1.76 115.31 126.87 2duw h LEU 64 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.67 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 0.46 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.79 2duw n ALA 65 N -1.81 2.49 -0.01 0.17 0.00 -1.26 -3.54 120.51 116.55 2duw n ALA 65 Ca 0.01 -0.48 0.06 0.00 0.00 0.00 0.00 53.44 53.04 2duw n ALA 65 Cb 0.20 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 0.24 1.82 -4.73 0.00 -0.08 -0.66 -4.99 116.55 108.15 2duw n ASP 66 Ca 0.12 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.99 2duw n ASP 66 Cb 0.26 1.60 -0.03 0.00 2.34 0.00 0.00 41.12 45.30 2duw n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2duw s VAL 67 N -2.94 2.81 0.10 5.18 1.01 -1.23 -4.94 120.40 120.39 2duw s VAL 67 Ca -0.05 0.64 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 2duw s VAL 67 Cb 0.09 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 2duw s VAL 67 CO 0.58 0.08 1.42 1.55 0.00 0.00 0.00 175.10 178.73 2duw h PRO 68 N 5.73 0.70 -6.60 2.72 0.13 -1.94 -3.44 132.00 129.29 2duw h PRO 68 Ca -0.44 -0.37 -0.51 0.00 -0.87 0.00 0.00 66.00 63.81 2duw h PRO 68 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2duw h PRO 68 CO 0.82 0.98 0.03 -2.00 -0.23 0.00 0.00 178.00 177.60 2duw s GLU 69 N -4.36 3.99 -0.14 0.86 2.56 -1.26 -5.06 118.70 115.29 2duw s GLU 69 Ca -0.12 0.59 -0.18 0.00 0.00 0.00 0.00 54.97 55.26 2duw s GLU 69 Cb 0.09 -2.58 -0.04 0.00 2.00 0.00 0.00 34.13 33.59 2duw s GLU 69 CO 0.83 0.25 0.48 0.15 -0.56 0.00 0.00 175.26 176.41 2duw s LYS 70 N -2.72 4.31 0.37 4.30 1.02 -1.26 -5.06 119.74 120.70 2duw s LYS 70 Ca 0.50 0.43 -0.25 0.00 0.02 0.00 0.00 55.97 56.67 2duw s LYS 70 Cb -0.12 -3.46 -0.09 0.00 -0.52 0.00 0.00 37.83 33.64 2duw s LYS 70 CO 0.19 0.10 1.08 0.54 -0.92 0.00 0.00 175.35 176.34 2duw s VAL 71 N 0.83 3.56 -0.10 3.17 0.11 -1.26 -4.96 120.40 121.74 2duw s VAL 71 Ca 0.25 1.29 0.16 0.00 -2.93 0.00 0.00 61.98 60.75 2duw s VAL 71 Cb -0.15 -3.72 -0.20 0.00 -1.53 0.00 0.00 36.38 30.78 2duw s VAL 71 CO 0.10 0.10 0.62 -0.67 -3.33 0.00 0.00 175.10 171.92 2duw n ASP 72 N 0.23 0.69 -3.68 3.54 2.03 -1.25 -4.37 116.55 113.74 2duw n ASP 72 Ca 0.04 0.32 -0.10 0.00 0.52 0.00 0.00 54.79 55.56 2duw n ASP 72 Cb 0.48 0.29 -0.11 0.00 -0.72 0.00 0.00 41.12 41.06 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 -2.75 0.33 -0.23 -0.67 1.75 -0.37 -2.06 119.30 115.30 2duw s MET 73 Ca -0.05 0.86 -0.08 0.00 -1.25 0.00 0.00 55.69 55.18 2duw s MET 73 Cb 0.08 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.82 2duw s MET 73 CO 0.82 -0.21 0.08 0.08 -0.65 0.00 0.00 175.02 175.14 2duw s VAL 74 N 1.96 4.55 -0.05 10.11 1.01 -0.93 -1.27 120.40 135.78 2duw s VAL 74 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 2duw s VAL 74 Cb -0.10 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2duw s VAL 74 CO -0.12 0.37 0.10 -0.62 0.00 0.00 0.00 175.10 174.83 2duw s ASP 75 N 1.21 5.90 -0.19 3.32 -1.08 -0.48 -0.31 116.67 125.04 2duw s ASP 75 Ca 0.05 0.27 0.01 0.00 -0.52 0.00 0.00 52.55 52.36 2duw s ASP 75 Cb -0.14 -1.78 0.03 0.00 -1.46 0.00 0.00 42.92 39.56 2duw s ASP 75 CO 0.04 0.33 -0.17 -0.69 0.52 0.00 0.00 175.17 175.20 2duw s VAL 76 N -1.11 1.97 -0.04 1.11 1.01 0.88 -3.90 120.40 120.33 2duw s VAL 76 Ca 0.19 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2duw s VAL 76 Cb -0.12 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 2duw s VAL 76 CO 0.10 0.41 0.10 0.49 0.00 0.00 0.00 175.10 176.19 2duw n PHE 77 N 4.62 0.00 0.00 5.22 3.72 -1.26 -2.85 117.46 126.91 2duw n PHE 77 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2duw n PHE 77 Cb 0.48 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.53 0.00 -3.22 -1.08 1.74 -1.26 -4.69 116.66 106.61 2duw n ARG 78 Ca -0.00 0.51 -0.02 0.00 -0.77 0.00 0.00 57.85 57.57 2duw n ARG 78 Cb 0.09 -1.29 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2duw n ARG 78 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2duw n ASN 79 N -1.73 -1.20 0.06 0.55 4.05 -1.26 -5.02 115.26 110.71 2duw n ASN 79 Ca 0.00 -1.59 -0.13 0.00 0.45 0.00 0.00 54.58 53.31 2duw n ASN 79 Cb 0.00 1.94 -0.09 0.00 1.23 0.00 0.00 39.78 42.87 2duw n ASN 79 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2duw h SER 80 N 1.43 -0.15 -0.82 1.20 0.02 -1.96 -2.75 113.55 110.51 2duw h SER 80 Ca -0.19 -0.32 0.20 0.00 -0.84 0.00 0.00 61.79 60.64 2duw h SER 80 Cb 0.86 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 2duw h SER 80 CO 0.26 0.26 0.56 -0.33 -1.14 0.00 0.00 176.83 176.45 2duw h GLU 81 N -0.60 0.21 -0.08 3.45 5.08 -2.01 0.25 114.58 120.88 2duw h GLU 81 Ca -0.02 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2duw h GLU 81 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2duw h GLU 81 CO 0.03 0.14 -0.60 0.00 -1.00 0.00 0.00 179.01 177.58 2duw h ALA 82 N 1.62 0.83 -0.96 3.43 0.00 -1.93 -3.14 119.26 119.11 2duw h ALA 82 Ca 0.41 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2duw h ALA 82 Cb 1.26 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2duw h ALA 82 CO -0.09 0.72 0.58 0.00 0.00 0.00 0.00 179.25 180.47 2duw h ALA 83 N 1.17 1.46 0.28 0.00 0.00 -0.20 -0.88 119.26 121.08 2duw h ALA 83 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2duw h ALA 83 Cb 1.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2duw h ALA 83 CO 0.09 0.14 -0.13 2.35 0.00 0.00 0.00 179.25 181.70 2duw h TRP 84 N 0.89 -0.35 -0.82 0.00 2.91 -1.53 0.15 115.95 117.21 2duw h TRP 84 Ca 0.49 -0.01 0.17 0.00 1.13 0.00 0.00 58.89 60.67 2duw h TRP 84 Cb 0.54 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.25 2duw h TRP 84 CO -0.02 -0.01 0.54 0.78 -1.03 0.00 0.00 178.44 178.70 2duw h GLY 85 N -0.72 0.80 1.53 2.65 0.00 -1.46 -0.73 103.07 105.14 2duw h GLY 85 Ca -0.04 -0.19 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 2duw h GLY 85 CO 0.06 0.04 -1.32 -2.08 0.00 0.00 0.00 176.54 173.24 2duw h VAL 86 N 0.43 1.39 0.65 4.60 2.07 -1.10 -3.22 116.25 121.08 2duw h VAL 86 Ca 0.41 -3.03 -0.03 0.00 0.82 0.00 0.00 66.70 64.88 2duw h VAL 86 Cb 0.96 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2duw h VAL 86 CO -0.14 0.86 -0.44 0.00 0.02 0.00 0.00 177.57 177.87 2duw h ALA 87 N 0.65 -1.09 -0.69 1.67 0.00 0.80 0.17 119.26 120.77 2duw h ALA 87 Ca -0.15 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2duw h ALA 87 Cb 1.95 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 20.24 2duw h ALA 87 CO 0.17 -1.13 0.35 -0.56 0.00 0.00 0.00 179.25 178.08 2duw h GLN 88 N -1.04 0.59 -0.95 0.00 3.07 -1.56 -0.52 115.11 114.70 2duw h GLN 88 Ca -0.08 -0.04 0.02 0.00 0.09 0.00 0.00 58.65 58.64 2duw h GLN 88 Cb 0.85 -0.13 -0.05 0.00 0.08 0.00 0.00 27.48 28.23 2duw h GLN 88 CO 0.06 0.39 0.63 0.93 0.09 0.00 0.00 178.83 180.92 2duw h GLU 89 N 0.61 1.22 -0.34 0.06 4.39 -1.51 -1.57 114.58 117.44 2duw h GLU 89 Ca 0.34 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 2duw h GLU 89 Cb 0.33 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2duw h GLU 89 CO -0.25 0.81 -0.03 0.00 -1.16 0.00 0.00 179.01 178.37 2duw h ALA 90 N 1.36 0.46 0.00 3.43 0.00 0.20 -2.04 119.26 122.66 2duw h ALA 90 Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2duw h ALA 90 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2duw h ALA 90 CO -0.09 0.25 -0.09 0.82 0.00 0.00 0.00 179.25 180.14 2duw h ILE 91 N 0.41 0.71 0.01 0.00 2.04 -0.75 0.34 117.51 120.28 2duw h ILE 91 Ca 0.09 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2duw h ILE 91 Cb 0.50 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2duw h ILE 91 CO 0.02 0.09 -0.15 0.00 0.00 0.00 0.00 178.15 178.12 2duw h ALA 92 N 1.91 0.01 -0.03 1.87 0.00 -1.00 -3.32 119.26 118.69 2duw h ALA 92 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2duw h ALA 92 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2duw h ALA 92 CO 0.01 0.02 -0.55 -0.84 0.00 0.00 0.00 179.25 177.90 2duw h ILE 93 N -0.71 1.38 0.00 0.00 3.07 -1.13 -3.47 117.51 116.65 2duw h ILE 93 Ca -0.02 -1.87 0.00 0.00 1.55 0.00 0.00 64.86 64.52 2duw h ILE 93 Cb 0.98 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2duw h ILE 93 CO 0.03 0.54 0.00 0.61 -1.05 0.00 0.00 178.15 178.28 2duw n GLY 94 N 0.08 0.71 2.38 0.16 0.00 0.81 -5.10 105.19 104.22 2duw n GLY 94 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2duw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2duw n ALA 95 N 0.00 -3.84 0.00 4.61 0.00 0.84 -4.99 120.51 117.12 2duw n ALA 95 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2duw n ALA 95 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2duw n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2duw n LYS 96 N -4.81 0.00 -4.19 0.00 5.02 -1.26 -4.98 118.16 107.95 2duw n LYS 96 Ca 0.10 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2duw n LYS 96 Cb 0.45 -0.64 -0.10 0.00 -0.02 0.00 0.00 35.03 34.72 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 -1.38 0.87 -0.11 -0.18 2.01 -0.87 -3.14 115.64 112.84 2duw s THR 97 Ca 0.00 -1.87 -0.04 0.00 0.31 0.00 0.00 61.69 60.10 2duw s THR 97 Cb 0.00 -1.61 0.05 0.00 0.01 0.00 0.00 72.50 70.96 2duw s THR 97 CO 0.00 -0.75 0.16 -0.22 -0.69 0.00 0.00 174.62 173.12 2duw s LEU 98 N -2.88 -0.02 -0.11 4.42 2.96 0.02 -2.20 118.68 120.87 2duw s LEU 98 Ca 0.11 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2duw s LEU 98 Cb 0.02 0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.90 2duw s LEU 98 CO -0.02 -0.27 -0.13 0.86 -1.32 0.00 0.00 176.35 175.47 2duw s TRP 99 N 2.27 2.78 0.26 5.38 -0.11 0.58 -0.49 118.94 129.61 2duw s TRP 99 Ca 0.04 -0.52 0.03 0.00 1.22 0.00 0.00 56.10 56.87 2duw s TRP 99 Cb -0.13 -1.79 0.03 0.00 -1.50 0.00 0.00 33.47 30.08 2duw s TRP 99 CO -0.07 -0.11 0.25 1.28 -4.62 0.00 0.00 176.95 173.68 2duw n LEU 100 N 3.20 0.00 -4.83 5.86 4.77 -0.82 -0.09 117.00 125.10 2duw n LEU 100 Ca -0.18 -1.26 -0.36 0.00 -0.03 0.00 0.00 56.01 54.18 2duw n LEU 100 Cb 0.53 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2duw n LEU 100 CO 0.29 -0.47 0.30 -1.58 -1.33 0.00 0.00 177.39 174.61 2duw s GLN 101 N -3.09 4.12 0.31 3.23 2.00 -1.13 -4.51 119.66 120.59 2duw s GLN 101 Ca 0.19 0.67 -0.28 0.00 -2.00 0.00 0.00 55.36 53.93 2duw s GLN 101 Cb -0.01 -2.99 -0.13 0.00 0.80 0.00 0.00 33.01 30.68 2duw s GLN 101 CO 0.12 0.49 1.22 1.28 -0.50 0.00 0.00 175.29 177.90 2duw n LEU 102 N 0.99 2.96 -0.57 3.68 4.77 -1.26 -1.06 117.00 126.51 2duw n LEU 102 Ca -0.05 1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 57.04 2duw n LEU 102 Cb 0.51 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 2duw n LEU 102 CO 0.42 -0.76 -0.07 0.61 -1.33 0.00 0.00 177.39 176.26 2duw n GLY 103 N 1.07 0.88 2.91 -0.72 0.00 -1.26 -4.92 105.19 103.16 2duw n GLY 103 Ca 0.07 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2duw n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2duw s VAL 104 N -2.04 1.46 -0.15 1.61 1.01 -0.23 -4.99 120.40 117.07 2duw s VAL 104 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 2duw s VAL 104 Cb 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2duw s VAL 104 CO 0.00 -0.23 -0.13 -0.63 0.00 0.00 0.00 175.10 174.10 2duw s ILE 105 N 1.40 2.87 -0.50 2.22 1.01 -1.26 -3.48 121.20 123.46 2duw s ILE 105 Ca -0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 2duw s ILE 105 Cb -0.19 -2.22 0.13 0.00 0.01 0.00 0.00 42.46 40.20 2duw s ILE 105 CO -0.09 0.51 0.31 0.20 0.00 0.00 0.00 174.94 175.87 2duw s ASN 106 N 0.70 5.33 0.37 3.58 -0.87 -1.26 -4.95 114.94 117.84 2duw s ASN 106 Ca -0.06 -2.31 0.12 0.00 -1.57 0.00 0.00 52.86 49.04 2duw s ASN 106 Cb -0.15 -1.87 0.92 0.00 -0.02 0.00 0.00 41.25 40.13 2duw s ASN 106 CO 0.02 -0.50 1.83 -0.08 -2.57 0.00 0.00 177.10 175.79 2duw h GLU 107 N 7.75 0.56 0.01 -0.60 4.81 -1.99 -0.01 114.58 125.10 2duw h GLU 107 Ca -0.10 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2duw h GLU 107 Cb 1.02 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2duw h GLU 107 CO 0.72 0.37 -0.00 1.96 -0.73 0.00 0.00 179.01 181.33 2duw h GLN 108 N 0.58 -0.01 -0.34 1.92 7.50 -2.00 -2.98 115.11 119.78 2duw h GLN 108 Ca 0.51 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.76 2duw h GLN 108 Cb 1.02 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.54 2duw h GLN 108 CO -0.25 0.69 0.29 0.00 -1.50 0.00 0.00 178.83 178.05 2duw h ALA 109 N 0.25 2.15 -0.09 3.87 0.00 -1.70 -0.46 119.26 123.28 2duw h ALA 109 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2duw h ALA 109 Cb 0.70 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2duw h ALA 109 CO 0.00 -0.46 -0.86 0.00 0.00 0.00 0.00 179.25 177.93 2duw h ALA 110 N 1.74 0.29 -0.27 0.00 0.00 -1.02 -3.18 119.26 116.82 2duw h ALA 110 Ca 0.16 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2duw h ALA 110 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2duw h ALA 110 CO -0.00 0.70 0.10 0.28 0.00 0.00 0.00 179.25 180.33 2duw h VAL 111 N 0.46 1.18 -0.05 0.00 2.07 -0.94 -0.32 116.25 118.64 2duw h VAL 111 Ca -0.08 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2duw h VAL 111 Cb 1.50 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 2duw h VAL 111 CO 0.17 0.19 -0.37 -0.07 0.02 0.00 0.00 177.57 177.51 2duw h LEU 112 N 0.28 -1.12 -1.40 2.57 3.38 -1.50 0.14 115.31 117.66 2duw h LEU 112 Ca 0.09 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2duw h LEU 112 Cb 0.19 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2duw h LEU 112 CO -0.01 -0.41 -0.12 0.00 0.09 0.00 0.00 178.44 178.00 2duw h ALA 113 N 0.18 1.50 -0.27 1.53 0.00 -1.52 -2.38 119.26 118.31 2duw h ALA 113 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2duw h ALA 113 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2duw h ALA 113 CO -0.32 0.35 -0.18 0.00 0.00 0.00 0.00 179.25 179.10 2duw h ARG 114 N 0.24 0.48 -0.24 0.00 2.47 0.24 0.36 114.38 117.93 2duw h ARG 114 Ca 0.05 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2duw h ARG 114 Cb 0.36 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2duw h ARG 114 CO 0.02 0.65 0.11 0.93 0.56 0.00 0.00 179.97 182.23 2duw h GLU 115 N 0.43 0.36 0.00 0.04 5.08 -0.23 -2.88 114.58 117.38 2duw h GLU 115 Ca 0.07 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2duw h GLU 115 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2duw h GLU 115 CO 0.04 0.38 -0.41 0.00 -1.00 0.00 0.00 179.01 178.02 2duw h ALA 116 N 0.96 0.74 0.00 3.43 0.00 -1.47 -3.47 119.26 119.44 2duw h ALA 116 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2duw h ALA 116 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2duw h ALA 116 CO -0.01 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2duw n GLY 117 N 1.19 0.56 3.39 0.00 0.00 0.84 -5.06 105.19 106.10 2duw n GLY 117 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2duw n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2duw n LEU 118 N 0.00 -0.61 -4.36 0.99 7.94 0.88 -4.10 117.00 117.73 2duw n LEU 118 Ca 0.00 0.29 -0.45 0.00 -1.11 0.00 0.00 56.01 54.73 2duw n LEU 118 Cb 0.00 -1.17 -0.04 0.00 0.53 0.00 0.00 43.42 42.74 2duw n LEU 118 CO 0.00 -3.68 0.45 -0.55 -1.11 0.00 0.00 177.39 172.50 2duw s SER 119 N -1.97 6.40 -0.15 1.96 0.15 -1.19 -4.50 113.70 114.41 2duw s SER 119 Ca 0.56 -1.92 -0.18 0.00 0.70 0.00 0.00 55.95 55.10 2duw s SER 119 Cb -0.20 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2duw s SER 119 CO 0.68 -0.92 0.50 0.54 1.20 0.00 0.00 173.24 175.24 2duw s VAL 120 N 1.82 5.15 -0.21 4.45 0.11 -1.26 -0.80 120.40 129.64 2duw s VAL 120 Ca 0.15 0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 60.15 2duw s VAL 120 Cb -0.19 -3.83 0.06 0.00 -1.53 0.00 0.00 36.38 30.89 2duw s VAL 120 CO -0.01 0.26 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.31 2duw s VAL 121 N 1.10 1.08 0.46 2.04 1.01 0.36 -4.98 120.40 121.47 2duw s VAL 121 Ca 0.25 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2duw s VAL 121 Cb -0.15 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2duw s VAL 121 CO 0.10 -0.13 0.45 0.00 0.00 0.00 0.00 175.10 175.52 2duw s MET 122 N 1.60 2.49 -1.50 2.72 0.23 -1.26 -1.94 119.30 121.64 2duw s MET 122 Ca -0.03 -1.60 -0.13 0.00 -1.03 0.00 0.00 55.69 52.89 2duw s MET 122 Cb -0.18 -2.39 0.09 0.00 -1.53 0.00 0.00 34.83 30.82 2duw s MET 122 CO -0.07 -0.35 0.81 -3.47 -2.03 0.00 0.00 175.02 169.92 2duw n ASP 123 N -1.69 -4.44 -3.72 -1.18 2.03 -1.23 -4.95 116.55 101.38 2duw n ASP 123 Ca 0.04 -0.69 -0.13 0.00 0.52 0.00 0.00 54.79 54.54 2duw n ASP 123 Cb 0.62 -3.58 -0.09 0.00 -0.72 0.00 0.00 41.12 37.34 2duw n ASP 123 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2duw s ARG 124 N -6.46 0.55 0.07 -0.67 6.06 -1.26 -4.63 118.95 112.60 2duw s ARG 124 Ca 0.59 0.59 0.05 0.00 -2.50 0.00 0.00 55.73 54.47 2duw s ARG 124 Cb -0.30 0.27 -0.03 0.00 0.06 0.00 0.00 34.95 34.94 2duw s ARG 124 CO 0.73 -0.07 -0.14 0.00 -2.50 0.00 0.00 175.30 173.31 2duw h PRO 126 N 4.29 0.01 -0.20 0.00 0.13 -1.97 -1.35 132.00 132.92 2duw h PRO 126 Ca -0.41 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2duw h PRO 126 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2duw h PRO 126 CO 0.40 0.50 0.13 0.00 -0.23 0.00 0.00 178.00 178.80 2duw h ALA 127 N 1.50 1.88 0.00 -0.56 0.00 -1.98 0.84 119.26 120.94 2duw h ALA 127 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2duw h ALA 127 Cb 0.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2duw h ALA 127 CO 0.06 0.10 -2.00 -0.89 0.00 0.00 0.00 179.25 176.52 2duw n ILE 128 N -4.51 0.46 0.12 0.00 2.08 -1.12 -4.26 119.36 112.14 2duw n ILE 128 Ca 0.00 -0.61 -0.00 0.00 0.56 0.00 0.00 62.75 62.70 2duw n ILE 128 Cb 0.09 -0.18 0.07 0.00 -0.75 0.00 0.00 39.64 38.87 2duw n ILE 128 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2duw h GLU 129 N 0.00 0.00 0.53 0.38 4.22 -0.73 -2.95 114.58 116.03 2duw h GLU 129 Ca -0.15 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.26 2duw h GLU 129 Cb 1.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.61 2duw h GLU 129 CO 0.01 0.65 -0.26 1.25 -2.18 0.00 0.00 179.01 178.49 2duw h LEU 130 N 0.00 -0.60 0.00 1.64 5.85 -1.03 -3.00 115.31 118.17 2duw h LEU 130 Ca -0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2duw h LEU 130 Cb 1.35 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2duw h LEU 130 CO 0.08 -0.25 0.00 -0.81 -0.34 0.00 0.00 178.44 177.13 2duw n PRO 131 N -5.29 0.16 -0.12 5.25 -0.04 -1.25 -3.29 135.00 130.42 2duw n PRO 131 Ca -0.11 0.17 0.26 0.00 -0.04 0.00 0.00 63.50 63.78 2duw n PRO 131 Cb 0.32 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.00 0.00 0.54 0.11 -1.36 0.23 114.38 113.90 2duw h ARG 132 Ca 0.00 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 2duw h ARG 132 Cb 0.16 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.21 2duw h ARG 132 CO 0.00 0.00 -1.51 -0.11 0.10 0.00 0.00 179.97 178.45 2duw n LEU 133 N -4.25 0.87 -0.04 0.08 7.94 -1.21 -4.99 117.00 115.40 2duw n LEU 133 Ca 0.16 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 2duw n LEU 133 Cb 0.86 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.92 2duw n LEU 133 CO 0.38 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.50 2duw n GLY 134 N 1.45 1.43 0.00 -3.96 0.00 0.82 -4.99 105.19 99.94 2duw n GLY 134 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2duw n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2duw n LEU 135 N -0.04 0.48 -4.64 0.99 4.32 -1.26 -5.05 117.00 111.80 2duw n LEU 135 Ca 0.00 -0.67 -0.50 0.00 -0.02 0.00 0.00 56.01 54.82 2duw n LEU 135 Cb 0.11 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.86 2duw n LEU 135 CO 0.00 0.12 1.09 0.00 -1.22 0.00 0.00 177.39 177.38 2duw n ALA 136 N -0.38 0.15 1.66 -1.18 0.00 -1.26 -5.03 120.51 114.46 2duw n ALA 136 Ca 0.00 0.46 0.15 0.00 0.00 0.00 0.00 53.44 54.05 2duw n ALA 136 Cb 0.02 -2.23 0.66 0.00 0.00 0.00 0.00 19.45 17.90 2duw n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13