#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 1.95 -0.09 0.03 -0.14 -1.26 -5.04 119.74 115.19 2duw s LYS 2 Ca 0.00 -1.37 0.19 0.00 -1.36 0.00 0.00 55.97 53.43 2duw s LYS 2 Cb 0.00 -2.07 -0.25 0.00 -1.68 0.00 0.00 37.83 33.83 2duw s LYS 2 CO 0.00 0.41 0.38 0.39 -0.76 0.00 0.00 175.35 175.77 2duw n GLU 3 N -0.05 0.66 -3.95 1.68 1.02 -1.26 -4.97 120.64 113.78 2duw n GLU 3 Ca -0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.82 2duw n GLU 3 Cb 0.56 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 2duw n GLU 3 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2duw s ASN 4 N -5.30 5.56 0.02 1.62 0.02 -1.26 -5.03 114.94 110.57 2duw s ASN 4 Ca -0.08 -0.30 0.19 0.00 -1.02 0.00 0.00 52.86 51.66 2duw s ASN 4 Cb 0.09 -1.29 -0.18 0.00 0.02 0.00 0.00 41.25 39.89 2duw s ASN 4 CO 0.85 -0.18 0.66 0.47 0.02 0.00 0.00 177.10 178.92 2duw n ASP 5 N -1.30 0.50 0.02 -1.22 9.92 -1.26 -4.13 116.55 119.07 2duw n ASP 5 Ca -0.05 0.21 0.22 0.00 -0.53 0.00 0.00 54.79 54.64 2duw n ASP 5 Cb 0.58 0.82 0.73 0.00 -0.64 0.00 0.00 41.12 42.61 2duw n ASP 5 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2duw h ILE 6 N 0.00 0.48 -0.94 0.53 3.07 -1.96 0.14 117.51 118.84 2duw h ILE 6 Ca -0.15 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.37 2duw h ILE 6 Cb 1.43 0.64 -0.07 0.00 -0.27 0.00 0.00 36.82 38.55 2duw h ILE 6 CO 0.02 0.00 0.60 0.00 -1.05 0.00 0.00 178.15 177.72 2duw h ALA 7 N 1.55 1.62 0.02 0.16 0.00 -1.99 0.30 119.26 120.92 2duw h ALA 7 Ca 0.26 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 2duw h ALA 7 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2duw h ALA 7 CO -0.00 0.17 -0.94 0.78 0.00 0.00 0.00 179.25 179.25 2duw h GLY 8 N 0.91 0.23 1.92 0.00 0.00 -1.25 -1.24 103.07 103.64 2duw h GLY 8 Ca 0.45 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 2duw h GLY 8 CO -0.21 0.39 -0.79 -2.22 0.00 0.00 0.00 176.54 173.70 2duw h ILE 9 N 0.10 1.53 0.00 2.60 5.03 -1.24 -0.67 117.51 124.86 2duw h ILE 9 Ca -0.06 -2.59 -0.20 0.00 -0.12 0.00 0.00 64.86 61.89 2duw h ILE 9 Cb 1.60 2.41 -0.03 0.00 -3.03 0.00 0.00 36.82 37.76 2duw h ILE 9 CO 0.14 0.75 -1.20 0.17 -0.68 0.00 0.00 178.15 177.34 2duw h LEU 10 N 0.04 0.00 0.00 1.44 8.10 -0.49 -2.95 115.31 121.46 2duw h LEU 10 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.93 2duw h LEU 10 Cb 1.39 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.60 2duw h LEU 10 CO 0.11 0.80 -0.75 0.00 -4.11 0.00 0.00 178.44 174.49 2duw h THR 11 N 0.00 0.19 0.00 0.15 1.03 -1.23 -3.40 112.91 109.66 2duw h THR 11 Ca -0.12 -1.32 0.00 0.00 -0.01 0.00 0.00 66.41 64.96 2duw h THR 11 Cb 1.72 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 2duw h THR 11 CO 0.08 0.11 -0.09 -1.28 -0.01 0.00 0.00 175.52 174.33 2duw h SER 12 N 0.00 0.00 -4.24 0.00 0.87 -1.21 -3.48 113.55 105.49 2duw h SER 12 Ca -0.03 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.03 2duw h SER 12 Cb 1.15 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.82 2duw h SER 12 CO 0.02 0.22 -0.82 -0.89 -0.53 0.00 0.00 176.83 174.83 2duw s THR 13 N -1.32 1.19 -0.40 2.23 2.01 -1.11 -5.09 115.64 113.15 2duw s THR 13 Ca -0.03 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 2duw s THR 13 Cb 0.00 -0.99 0.09 0.00 0.01 0.00 0.00 72.50 71.61 2duw s THR 13 CO 0.04 0.31 0.20 0.00 -0.69 0.00 0.00 174.62 174.48 2duw s ARG 14 N -0.41 2.36 0.01 4.92 1.70 -1.26 -4.30 118.95 121.97 2duw s ARG 14 Ca 0.06 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 2duw s ARG 14 Cb -0.06 -3.62 -0.01 0.00 -0.57 0.00 0.00 34.95 30.69 2duw s ARG 14 CO -0.00 -0.95 -0.02 0.99 -1.08 0.00 0.00 175.30 174.24 2duw s THR 15 N 1.29 0.09 -0.04 4.99 2.01 -1.26 -4.58 115.64 118.15 2duw s THR 15 Ca 0.04 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2duw s THR 15 Cb -0.23 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.15 2duw s THR 15 CO -0.01 -0.17 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.00 2duw s ILE 16 N -0.54 1.06 0.00 1.82 1.09 0.00 -2.59 121.20 122.04 2duw s ILE 16 Ca -0.05 -0.50 0.07 0.00 -1.10 0.00 0.00 60.65 59.07 2duw s ILE 16 Cb -0.04 -0.93 -0.02 0.00 -1.06 0.00 0.00 42.46 40.41 2duw s ILE 16 CO -0.00 0.32 -0.23 0.00 -0.10 0.00 0.00 174.94 174.93 2duw s ALA 17 N 0.20 1.92 -0.08 9.38 0.00 -0.49 -0.83 121.76 131.87 2duw s ALA 17 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2duw s ALA 17 Cb -0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2duw s ALA 17 CO 0.01 0.46 -0.17 -1.17 0.00 0.00 0.00 175.76 174.89 2duw s LEU 18 N -0.75 2.53 -0.35 0.00 2.96 -0.85 -1.19 118.68 121.03 2duw s LEU 18 Ca 0.09 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2duw s LEU 18 Cb -0.09 -1.52 0.07 0.00 0.50 0.00 0.00 46.19 45.15 2duw s LEU 18 CO 0.00 0.26 0.11 -0.69 -1.32 0.00 0.00 176.35 174.71 2duw s VAL 19 N -0.21 3.41 0.00 1.68 1.01 -1.24 -0.11 120.40 124.92 2duw s VAL 19 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2duw s VAL 19 Cb -0.13 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2duw s VAL 19 CO 0.03 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.40 2duw n GLY 20 N 4.69 0.81 3.79 4.51 0.00 0.07 -4.22 105.19 114.86 2duw n GLY 20 Ca -0.09 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.66 3.69 0.00 4.61 0.00 -1.25 -4.86 121.76 122.29 2duw s ALA 21 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2duw s ALA 21 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2duw s ALA 21 CO 0.00 0.32 0.00 0.45 0.00 0.00 0.00 175.76 176.53 2duw n SER 22 N 2.72 0.00 -2.25 0.00 2.88 -1.26 -4.62 113.62 111.10 2duw n SER 22 Ca -0.14 -0.95 -0.26 0.00 -1.33 0.00 0.00 58.87 56.18 2duw n SER 22 Cb 0.53 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.01 2duw n SER 22 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2duw n ASP 23 N -1.83 6.90 -4.13 -3.46 2.03 -1.26 -4.78 116.55 110.03 2duw n ASP 23 Ca 0.00 -3.36 -0.37 0.00 0.52 0.00 0.00 54.79 51.58 2duw n ASP 23 Cb 0.00 -1.08 -0.07 0.00 -0.72 0.00 0.00 41.12 39.25 2duw n ASP 23 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2duw s LYS 24 N -2.54 3.17 0.00 -0.67 -0.14 -1.26 -4.88 119.74 113.41 2duw s LYS 24 Ca 0.48 -3.06 0.15 0.00 -1.36 0.00 0.00 55.97 52.18 2duw s LYS 24 Cb 0.36 -3.95 0.73 0.00 -1.68 0.00 0.00 37.83 33.29 2duw s LYS 24 CO -0.10 -1.24 1.41 -0.35 -0.76 0.00 0.00 175.35 174.31 2duw n PRO 25 N 2.69 0.19 -0.96 -1.68 -0.04 -1.26 -2.50 135.00 131.43 2duw n PRO 25 Ca 0.18 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2duw n PRO 25 Cb 0.38 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.61 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 4.51 -4.29 3.54 8.00 -1.26 -4.71 116.55 121.03 2duw n ASP 26 Ca 0.07 -3.15 -0.17 0.00 0.71 0.00 0.00 54.79 52.25 2duw n ASP 26 Cb 0.12 -0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 40.38 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 -2.79 1.17 0.37 -1.24 1.81 -1.04 -5.03 118.95 112.20 2duw s ARG 27 Ca 0.51 -1.47 0.28 0.00 -1.72 0.00 0.00 55.73 53.32 2duw s ARG 27 Cb 0.41 -0.88 1.15 0.00 -0.45 0.00 0.00 34.95 35.18 2duw s ARG 27 CO 0.12 0.14 1.82 -1.00 -0.68 0.00 0.00 175.30 175.70 2duw h PRO 28 N 2.81 0.00 0.00 3.54 0.13 -1.88 -2.63 132.00 133.98 2duw h PRO 28 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 2duw h PRO 28 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2duw h PRO 28 CO 0.61 0.00 -0.48 0.77 -0.23 0.00 0.00 178.00 178.67 2duw h SER 29 N 0.00 0.00 0.05 1.44 0.02 -1.89 -3.10 113.55 110.06 2duw h SER 29 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2duw h SER 29 Cb 0.41 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2duw h SER 29 CO 0.00 0.48 -1.22 0.22 -1.14 0.00 0.00 176.83 175.17 2duw h TYR 30 N 0.00 0.19 -0.81 3.45 5.03 -1.68 -3.11 116.97 120.04 2duw h TYR 30 Ca -0.00 -0.14 0.16 0.00 2.58 0.00 0.00 58.73 61.33 2duw h TYR 30 Cb 1.23 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 39.44 2duw h TYR 30 CO 0.00 1.48 0.54 0.07 -1.32 0.00 0.00 178.16 178.92 2duw h ARG 31 N -0.67 0.42 0.08 1.82 0.11 -1.61 -0.75 114.38 113.78 2duw h ARG 31 Ca -0.30 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.47 2duw h ARG 31 Cb 1.48 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 32.49 2duw h ARG 31 CO -0.07 0.28 -1.17 0.28 0.10 0.00 0.00 179.97 179.39 2duw h VAL 32 N 0.44 1.30 0.29 0.08 2.07 -1.68 -2.80 116.25 115.95 2duw h VAL 32 Ca 0.40 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 2duw h VAL 32 Cb 0.93 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 2duw h VAL 32 CO -0.14 0.74 -0.34 -0.03 0.02 0.00 0.00 177.57 177.82 2duw h MET 33 N 0.30 -0.62 0.00 1.57 1.85 -1.08 0.26 114.93 117.21 2duw h MET 33 Ca -0.16 0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 58.97 2duw h MET 33 Cb 1.84 0.14 -0.00 0.00 0.43 0.00 0.00 31.60 34.01 2duw h MET 33 CO 0.22 -0.41 -0.00 -0.22 -0.40 0.00 0.00 176.91 176.10 2duw h LYS 34 N -0.64 0.00 -0.00 0.39 1.63 -1.57 -1.11 116.57 115.27 2duw h LYS 34 Ca -0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2duw h LYS 34 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2duw h LYS 34 CO -0.07 0.00 -0.05 -0.92 -3.45 0.00 0.00 179.45 174.97 2duw h TYR 35 N 0.00 0.06 0.00 1.91 3.20 -1.00 -2.11 116.97 119.03 2duw h TYR 35 Ca -0.00 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 2duw h TYR 35 Cb 0.12 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2duw h TYR 35 CO 0.00 0.78 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.76 2duw h LEU 36 N -0.68 0.00 -0.15 2.82 3.38 -0.13 -0.68 115.31 119.86 2duw h LEU 36 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2duw h LEU 36 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2duw h LEU 36 CO 0.01 0.47 -0.45 -0.07 0.09 0.00 0.00 178.44 178.49 2duw h LEU 37 N 0.00 0.66 -0.22 1.67 3.38 -1.27 -1.17 115.31 118.35 2duw h LEU 37 Ca -0.00 -0.59 -0.22 0.00 0.09 0.00 0.00 57.88 57.16 2duw h LEU 37 Cb 0.90 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2duw h LEU 37 CO 0.06 1.13 -0.79 -0.78 0.09 0.00 0.00 178.44 178.16 2duw h ASP 38 N 0.21 0.80 -0.17 -0.43 1.82 -1.32 -3.08 116.42 114.26 2duw h ASP 38 Ca -0.01 -0.53 0.05 0.00 -0.39 0.00 0.00 57.03 56.14 2duw h ASP 38 Cb 1.07 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.84 2duw h ASP 38 CO 0.10 1.32 0.19 1.56 -1.61 0.00 0.00 179.24 180.80 2duw h GLN 39 N 0.45 0.00 0.00 0.28 1.08 -1.17 -3.45 115.11 112.30 2duw h GLN 39 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2duw h GLN 39 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2duw h GLN 39 CO 0.15 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.44 2duw n GLY 40 N -1.39 0.84 3.60 3.46 0.00 -1.16 -5.04 105.19 105.50 2duw n GLY 40 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.50 1.90 -0.26 1.61 2.02 -0.45 -5.05 117.35 115.63 2duw s TYR 41 Ca 0.00 -1.07 -0.10 0.00 -0.37 0.00 0.00 57.07 55.53 2duw s TYR 41 Cb 0.00 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 2duw s TYR 41 CO 0.00 -0.00 0.16 -1.58 -1.57 0.00 0.00 175.55 172.55 2duw s HIS 42 N -3.06 3.23 -0.12 2.71 2.46 -1.26 -4.57 115.29 114.67 2duw s HIS 42 Ca 0.20 0.06 0.01 0.00 0.47 0.00 0.00 55.06 55.80 2duw s HIS 42 Cb 0.04 -2.31 -0.02 0.00 -0.13 0.00 0.00 32.58 30.16 2duw s HIS 42 CO 0.11 -0.11 -0.14 0.08 -2.47 0.00 0.00 174.74 172.21 2duw s VAL 43 N 1.47 3.01 -0.61 0.89 1.01 -1.24 -0.82 120.40 124.11 2duw s VAL 43 Ca 0.07 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2duw s VAL 43 Cb -0.15 -2.25 0.21 0.00 0.00 0.00 0.00 36.38 34.19 2duw s VAL 43 CO 0.07 0.54 0.57 -0.38 0.00 0.00 0.00 175.10 175.90 2duw n ILE 44 N 3.33 1.27 -2.24 2.22 5.41 -0.01 -4.82 119.36 124.52 2duw n ILE 44 Ca -0.18 -4.72 -0.41 0.00 1.00 0.00 0.00 62.75 58.44 2duw n ILE 44 Cb 0.53 -2.06 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 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 -1.61 4.42 -0.10 0.38 0.04 -1.26 -2.00 135.00 134.87 2duw s PRO 45 Ca 0.33 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2duw s PRO 45 Cb 0.06 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.46 2duw s PRO 45 CO -0.11 -0.17 -0.08 0.08 0.04 0.00 0.00 177.00 176.76 2duw s VAL 46 N -0.37 1.00 0.02 -0.36 1.01 0.84 -4.03 120.40 118.50 2duw s VAL 46 Ca 0.53 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 2duw s VAL 46 Cb -0.36 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2duw s VAL 46 CO 0.42 0.36 0.19 -0.44 0.00 0.00 0.00 175.10 175.63 2duw s SER 47 N 1.49 0.00 0.00 3.32 0.01 0.97 -0.75 113.70 118.74 2duw s SER 47 Ca 0.01 -0.25 0.14 0.00 1.31 0.00 0.00 55.95 57.15 2duw s SER 47 Cb -0.13 0.26 0.65 0.00 0.21 0.00 0.00 66.02 67.01 2duw s SER 47 CO -0.06 -0.48 1.44 -0.81 0.41 0.00 0.00 173.24 173.74 2duw n PRO 48 N 1.02 0.06 -0.08 12.44 -0.04 -1.25 -2.22 135.00 144.94 2duw n PRO 48 Ca -0.21 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 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 1.63 -0.04 0.00 0.00 175.50 177.09 2duw n LYS 49 N -1.44 1.21 0.00 0.54 5.02 -1.26 -4.41 118.16 117.82 2duw n LYS 49 Ca 0.04 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.51 2duw n LYS 49 Cb 0.15 -1.36 0.66 0.00 -0.02 0.00 0.00 35.03 34.46 2duw n LYS 49 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2duw n VAL 50 N -2.72 0.08 -1.53 -0.18 3.14 -1.13 -4.80 118.33 111.20 2duw n VAL 50 Ca -0.26 0.02 -0.41 0.00 -2.96 0.00 0.00 64.34 60.73 2duw n VAL 50 Cb 0.91 -0.55 -0.06 0.00 -1.06 0.00 0.00 33.84 33.08 2duw n VAL 50 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2duw n ALA 51 N -1.39 0.88 -0.01 1.55 0.00 -0.94 -0.05 120.51 120.55 2duw n ALA 51 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2duw n ALA 51 Cb 0.27 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 6.18 1.00 3.41 0.00 0.00 -1.24 -4.83 105.19 109.69 2duw n GLY 52 Ca 0.42 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.11 1.81 -0.14 1.61 1.02 0.93 -4.98 119.74 119.87 2duw s LYS 53 Ca 0.00 -2.07 -0.00 0.00 0.02 0.00 0.00 55.97 53.91 2duw s LYS 53 Cb 0.00 -0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.12 2duw s LYS 53 CO 0.00 -0.52 -0.08 0.95 -0.92 0.00 0.00 175.35 174.77 2duw s THR 54 N -3.37 1.21 -0.30 2.17 -4.23 -1.26 -0.12 115.64 109.75 2duw s THR 54 Ca 0.31 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 60.22 2duw s THR 54 Cb 0.03 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.61 2duw s THR 54 CO 0.19 0.29 0.08 -0.76 -0.54 0.00 0.00 174.62 173.88 2duw s LEU 55 N 1.61 3.88 -1.85 4.79 1.43 0.05 -4.50 118.68 124.08 2duw s LEU 55 Ca 0.03 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2duw s LEU 55 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2duw s LEU 55 CO -0.09 -0.20 0.00 0.18 0.23 0.00 0.00 176.35 176.48 2duw n LEU 56 N 4.87 -1.67 0.00 1.79 4.77 -1.26 -0.51 117.00 124.98 2duw n LEU 56 Ca -0.14 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2duw n LEU 56 Cb 0.48 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.77 2duw n LEU 56 CO 0.32 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2duw n GLY 57 N -0.73 0.75 3.67 -0.72 0.00 -1.26 -5.05 105.19 101.84 2duw n GLY 57 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.52 3.91 0.41 1.61 -1.52 0.33 -5.07 119.66 118.80 2duw s GLN 58 Ca 0.00 -0.32 -0.27 0.00 -1.95 0.00 0.00 55.36 52.83 2duw s GLN 58 Cb 0.00 -3.21 -0.09 0.00 -0.22 0.00 0.00 33.01 29.49 2duw s GLN 58 CO 0.00 0.34 1.41 -1.14 -0.25 0.00 0.00 175.29 175.65 2duw s GLN 59 N 0.19 3.94 0.18 2.91 2.00 -1.26 -0.77 119.66 126.84 2duw s GLN 59 Ca 0.05 2.40 0.01 0.00 -2.00 0.00 0.00 55.36 55.82 2duw s GLN 59 Cb -0.12 -2.82 -0.04 0.00 0.80 0.00 0.00 33.01 30.83 2duw s GLN 59 CO 0.00 -0.60 0.34 0.20 -0.50 0.00 0.00 175.29 174.73 2duw s GLY 60 N -0.43 1.76 -0.10 2.59 0.00 0.83 -4.51 107.32 107.46 2duw s GLY 60 Ca 0.56 -0.91 -0.08 0.00 0.00 0.00 0.00 44.72 44.29 2duw s GLY 60 CO 0.57 -0.89 0.26 -0.19 0.00 0.00 0.00 173.10 172.85 2duw s TYR 61 N -1.81 -0.31 0.37 1.90 2.02 -1.25 -3.68 117.35 114.59 2duw s TYR 61 Ca 0.37 0.74 0.11 0.00 -0.37 0.00 0.00 57.07 57.91 2duw s TYR 61 Cb -0.11 0.09 0.71 0.00 -0.40 0.00 0.00 41.96 42.25 2duw s TYR 61 CO 0.29 -0.17 1.84 0.00 -1.57 0.00 0.00 175.55 175.94 2duw h ALA 62 N 6.16 1.39 -2.23 3.71 0.00 -1.88 0.28 119.26 126.69 2duw h ALA 62 Ca -0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2duw h ALA 62 Cb 1.18 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 2duw h ALA 62 CO 0.35 0.44 0.09 -0.08 0.00 0.00 0.00 179.25 180.05 2duw s THR 63 N -4.37 0.01 0.26 0.00 -1.32 -1.26 -3.74 115.64 105.22 2duw s THR 63 Ca -0.04 -0.12 0.35 0.00 -1.21 0.00 0.00 61.69 60.67 2duw s THR 63 Cb 0.15 -0.94 0.36 0.00 -1.51 0.00 0.00 72.50 70.56 2duw s THR 63 CO 0.73 -0.07 2.08 0.17 -2.21 0.00 0.00 174.62 175.33 2duw h LEU 64 N 3.03 0.00 -1.56 9.08 -0.00 -1.93 -1.10 115.31 122.83 2duw h LEU 64 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2duw h LEU 64 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2duw h LEU 64 CO 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.84 2duw h ALA 65 N 2.02 1.00 0.01 0.17 0.00 -1.96 -2.72 119.26 117.77 2duw h ALA 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2duw h ALA 65 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2duw h ALA 65 CO 0.00 0.00 -2.06 -0.25 0.00 0.00 0.00 179.25 176.94 2duw n ASP 66 N -2.83 0.61 -4.45 0.00 9.92 -0.42 -4.90 116.55 114.49 2duw n ASP 66 Ca 0.00 0.20 -0.49 0.00 -0.53 0.00 0.00 54.79 53.96 2duw n ASP 66 Cb 0.23 0.34 -0.08 0.00 -0.64 0.00 0.00 41.12 40.97 2duw n ASP 66 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2duw n VAL 67 N -2.95 0.14 -0.06 2.53 0.31 -1.03 -4.83 118.33 112.44 2duw n VAL 67 Ca -0.26 -0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 2duw n VAL 67 Cb 1.10 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.36 2duw n VAL 67 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2duw h PRO 68 N 12.79 0.44 -6.26 5.55 0.13 -1.90 -3.43 132.00 139.31 2duw h PRO 68 Ca -0.24 -0.23 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 2duw h PRO 68 Cb 1.32 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2duw h PRO 68 CO 1.06 0.80 1.13 -2.00 -0.23 0.00 0.00 178.00 178.75 2duw s GLU 69 N -4.33 4.05 -0.20 0.86 2.12 -1.26 -4.93 118.70 115.01 2duw s GLU 69 Ca -0.14 2.12 -0.29 0.00 0.36 0.00 0.00 54.97 57.02 2duw s GLU 69 Cb 0.06 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 2duw s GLU 69 CO 0.77 -1.00 1.55 0.15 -0.54 0.00 0.00 175.26 176.19 2duw s LYS 70 N 4.31 3.90 0.35 4.30 1.02 -1.26 -4.99 119.74 127.38 2duw s LYS 70 Ca 0.76 1.68 -0.26 0.00 0.02 0.00 0.00 55.97 58.17 2duw s LYS 70 Cb -0.33 -3.98 -0.09 0.00 -0.52 0.00 0.00 37.83 32.91 2duw s LYS 70 CO 0.31 -1.16 1.02 0.54 -0.92 0.00 0.00 175.35 175.14 2duw s VAL 71 N 4.79 3.83 -0.12 3.17 0.11 -1.26 -4.97 120.40 125.95 2duw s VAL 71 Ca 0.68 1.51 0.19 0.00 -2.93 0.00 0.00 61.98 61.44 2duw s VAL 71 Cb -0.25 -3.83 -0.22 0.00 -1.53 0.00 0.00 36.38 30.55 2duw s VAL 71 CO 0.27 0.11 0.54 0.47 -3.33 0.00 0.00 175.10 173.17 2duw n ASP 72 N 0.35 0.36 -3.65 3.54 9.92 -1.26 -4.00 116.55 121.80 2duw n ASP 72 Ca 0.03 0.15 -0.17 0.00 -0.53 0.00 0.00 54.79 54.27 2duw n ASP 72 Cb 0.49 1.02 -0.15 0.00 -0.64 0.00 0.00 41.12 41.84 2duw n ASP 72 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2duw s MET 73 N -3.07 0.05 -0.32 -1.24 1.75 -1.07 -3.02 119.30 112.39 2duw s MET 73 Ca -0.06 0.51 -0.11 0.00 -1.25 0.00 0.00 55.69 54.78 2duw s MET 73 Cb 0.10 -0.41 -0.01 0.00 2.84 0.00 0.00 34.83 37.35 2duw s MET 73 CO 0.85 -0.35 0.18 0.08 -0.65 0.00 0.00 175.02 175.12 2duw s VAL 74 N 2.29 4.81 -0.12 10.11 1.01 -0.80 -1.39 120.40 136.31 2duw s VAL 74 Ca 0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2duw s VAL 74 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2duw s VAL 74 CO -0.06 0.05 0.09 -1.81 0.00 0.00 0.00 175.10 173.36 2duw s ASP 75 N 1.65 5.98 -0.21 3.32 1.11 -0.33 -0.27 116.67 127.90 2duw s ASP 75 Ca 0.05 0.32 -0.02 0.00 0.18 0.00 0.00 52.55 53.08 2duw s ASP 75 Cb -0.17 -1.90 0.01 0.00 1.07 0.00 0.00 42.92 41.93 2duw s ASP 75 CO 0.08 0.36 -0.09 -0.69 1.18 0.00 0.00 175.17 176.00 2duw s VAL 76 N -0.74 2.91 -0.02 -1.27 1.01 0.87 -3.73 120.40 119.43 2duw s VAL 76 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2duw s VAL 76 Cb -0.12 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 2duw s VAL 76 CO 0.03 0.41 0.06 0.49 0.00 0.00 0.00 175.10 176.09 2duw n PHE 77 N 4.72 0.00 0.05 5.22 3.72 -1.26 -3.23 117.46 126.68 2duw n PHE 77 Ca -0.19 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.15 2duw n PHE 77 Cb 0.50 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 2duw n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2duw h ARG 78 N 0.01 -0.27 -2.26 -1.08 3.08 -1.90 -3.39 114.38 108.57 2duw h ARG 78 Ca 0.00 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.26 2duw h ARG 78 Cb 0.01 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 2duw h ARG 78 CO 0.00 -0.18 0.55 -0.80 -1.07 0.00 0.00 179.97 178.47 2duw s ASN 79 N -3.20 -0.12 -0.00 7.04 -0.87 -1.26 -4.99 114.94 111.53 2duw s ASN 79 Ca -0.06 -0.42 -0.23 0.00 -1.57 0.00 0.00 52.86 50.58 2duw s ASN 79 Cb 0.02 0.45 -0.13 0.00 -0.02 0.00 0.00 41.25 41.57 2duw s ASN 79 CO 0.22 -0.84 0.98 -1.28 -2.57 0.00 0.00 177.10 173.61 2duw h SER 80 N 2.00 -0.63 -0.34 -1.22 0.87 -1.95 -3.09 113.55 109.19 2duw h SER 80 Ca -0.26 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.39 2duw h SER 80 Cb 1.22 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2duw h SER 80 CO 0.28 -0.23 0.28 -0.33 -0.53 0.00 0.00 176.83 176.30 2duw h GLU 81 N -1.15 0.00 0.00 2.24 4.39 -2.00 0.21 114.58 118.27 2duw h GLU 81 Ca -0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2duw h GLU 81 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2duw h GLU 81 CO 0.13 0.00 -0.12 0.00 -1.16 0.00 0.00 179.01 177.86 2duw h ALA 82 N 1.75 1.17 -0.91 3.43 0.00 -1.94 -2.93 119.26 119.82 2duw h ALA 82 Ca 0.16 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2duw h ALA 82 Cb 0.73 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2duw h ALA 82 CO -0.00 0.15 0.50 0.00 0.00 0.00 0.00 179.25 179.90 2duw h ALA 83 N 1.88 1.43 0.19 0.00 0.00 -0.51 0.11 119.26 122.37 2duw h ALA 83 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2duw h ALA 83 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2duw h ALA 83 CO 0.02 -0.08 -0.09 2.35 0.00 0.00 0.00 179.25 181.45 2duw h TRP 84 N 0.67 -0.23 -0.92 0.00 2.91 -1.68 0.24 115.95 116.94 2duw h TRP 84 Ca 0.51 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.62 2duw h TRP 84 Cb 0.76 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 29.42 2duw h TRP 84 CO -0.06 0.13 0.59 0.78 -1.03 0.00 0.00 178.44 178.85 2duw h GLY 85 N -0.64 1.35 1.72 2.65 0.00 -1.50 -1.75 103.07 104.90 2duw h GLY 85 Ca -0.03 -0.39 -0.24 0.00 0.00 0.00 0.00 47.33 46.67 2duw h GLY 85 CO 0.04 0.22 -1.10 -2.08 0.00 0.00 0.00 176.54 173.62 2duw h VAL 86 N 0.94 1.53 0.38 4.60 2.07 -0.78 -3.27 116.25 121.72 2duw h VAL 86 Ca 0.42 -3.00 -0.01 0.00 0.82 0.00 0.00 66.70 64.93 2duw h VAL 86 Cb 0.37 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2duw h VAL 86 CO -0.18 0.87 -0.29 0.00 0.02 0.00 0.00 177.57 177.99 2duw h ALA 87 N 0.74 -0.66 -0.85 1.67 0.00 0.33 0.20 119.26 120.69 2duw h ALA 87 Ca -0.09 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2duw h ALA 87 Cb 1.81 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.90 2duw h ALA 87 CO 0.17 -0.90 0.44 -0.56 0.00 0.00 0.00 179.25 178.41 2duw h GLN 88 N -0.66 0.61 -0.28 0.00 3.07 -1.52 -0.15 115.11 116.17 2duw h GLN 88 Ca -0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.60 2duw h GLN 88 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 2duw h GLN 88 CO -0.00 0.40 -0.09 0.93 0.09 0.00 0.00 178.83 180.15 2duw h GLU 89 N 0.62 0.56 -0.90 0.06 5.08 -1.52 -1.99 114.58 116.49 2duw h GLU 89 Ca 0.47 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2duw h GLU 89 Cb 0.66 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2duw h GLU 89 CO -0.36 0.78 0.59 0.00 -1.00 0.00 0.00 179.01 179.01 2duw h ALA 90 N 0.77 1.46 0.00 3.43 0.00 0.56 -0.75 119.26 124.73 2duw h ALA 90 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2duw h ALA 90 Cb 0.59 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2duw h ALA 90 CO 0.03 0.43 -0.28 0.82 0.00 0.00 0.00 179.25 180.26 2duw h ILE 91 N 1.09 0.57 0.08 0.00 2.04 -0.96 0.26 117.51 120.58 2duw h ILE 91 Ca 0.37 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2duw h ILE 91 Cb 0.09 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2duw h ILE 91 CO -0.12 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.26 2duw h ALA 92 N 1.72 -0.10 -0.03 1.87 0.00 -0.37 -3.24 119.26 119.12 2duw h ALA 92 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2duw h ALA 92 Cb 0.96 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2duw h ALA 92 CO 0.04 -0.32 -0.57 -0.84 0.00 0.00 0.00 179.25 177.56 2duw h ILE 93 N -0.58 1.40 0.00 0.00 -0.00 -1.48 -3.48 117.51 113.37 2duw h ILE 93 Ca -0.01 -1.93 0.00 0.00 -0.00 0.00 0.00 64.86 62.92 2duw h ILE 93 Cb 0.49 2.01 0.00 0.00 -0.00 0.00 0.00 36.82 39.32 2duw h ILE 93 CO 0.02 0.56 0.00 0.61 -0.00 0.00 0.00 178.15 179.33 2duw n GLY 94 N 0.13 0.69 3.26 0.16 0.00 -0.84 -5.12 105.19 103.46 2duw n GLY 94 Ca -0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.75 -0.01 4.61 0.00 0.86 -4.99 120.51 116.24 2duw n ALA 95 Ca 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 53.44 51.61 2duw n ALA 95 Cb 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 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 -5.57 3.59 -3.67 0.00 5.02 -1.26 -4.99 118.16 111.29 2duw n LYS 96 Ca 0.11 -0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 2duw n LYS 96 Cb 0.59 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.49 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 -2.05 0.07 -0.15 -0.18 2.01 -1.17 -4.10 115.64 110.07 2duw s THR 97 Ca -0.01 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 2duw s THR 97 Cb 0.01 -1.10 0.05 0.00 0.01 0.00 0.00 72.50 71.46 2duw s THR 97 CO 0.09 -0.32 0.00 -0.22 -0.69 0.00 0.00 174.62 173.48 2duw s LEU 98 N -2.52 1.14 -0.07 4.42 2.96 0.65 -1.90 118.68 123.35 2duw s LEU 98 Ca 0.00 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2duw s LEU 98 Cb 0.01 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 2duw s LEU 98 CO -0.09 -0.24 -0.17 0.86 -1.32 0.00 0.00 176.35 175.39 2duw s TRP 99 N 1.83 2.65 0.54 5.38 -0.11 0.63 -0.10 118.94 129.76 2duw s TRP 99 Ca 0.01 -0.40 0.04 0.00 1.22 0.00 0.00 56.10 56.97 2duw s TRP 99 Cb -0.15 -1.66 0.03 0.00 -1.50 0.00 0.00 33.47 30.18 2duw s TRP 99 CO -0.07 -0.00 0.32 -0.51 -4.62 0.00 0.00 176.95 172.07 2duw s LEU 100 N -0.36 2.57 0.03 5.86 1.43 -0.73 -0.09 118.68 127.40 2duw s LEU 100 Ca 0.03 -1.36 -0.24 0.00 -1.03 0.00 0.00 54.13 51.53 2duw s LEU 100 Cb -0.12 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 2duw s LEU 100 CO 0.02 -1.08 0.74 -1.10 0.23 0.00 0.00 176.35 175.17 2duw s GLN 101 N -4.20 4.47 0.04 1.70 -1.52 -1.20 -4.37 119.66 114.58 2duw s GLN 101 Ca 0.27 1.02 -0.36 0.00 -1.95 0.00 0.00 55.36 54.34 2duw s GLN 101 Cb -0.02 -3.36 -0.15 0.00 -0.22 0.00 0.00 33.01 29.26 2duw s GLN 101 CO 0.17 0.28 1.57 1.28 -0.25 0.00 0.00 175.29 178.34 2duw n LEU 102 N 2.84 2.56 0.00 2.90 4.77 -1.17 -2.44 117.00 126.46 2duw n LEU 102 Ca -0.03 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 2duw n LEU 102 Cb 0.50 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2duw n LEU 102 CO 0.47 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 2duw n GLY 103 N 3.37 1.13 3.40 -0.72 0.00 -1.26 -4.93 105.19 106.19 2duw n GLY 103 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 2.47 -0.28 1.61 0.11 -1.02 -5.01 120.40 116.29 2duw s VAL 104 Ca 0.00 -1.24 -0.03 0.00 -2.93 0.00 0.00 61.98 57.78 2duw s VAL 104 Cb 0.00 -1.99 0.11 0.00 -1.53 0.00 0.00 36.38 32.97 2duw s VAL 104 CO 0.00 0.39 0.19 -0.63 -3.33 0.00 0.00 175.10 171.71 2duw s ILE 105 N -0.84 -0.19 -0.48 7.04 1.01 -1.26 -3.03 121.20 123.45 2duw s ILE 105 Ca 0.13 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.22 2duw s ILE 105 Cb -0.10 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.57 2duw s ILE 105 CO 0.03 -0.58 0.28 0.21 0.00 0.00 0.00 174.94 174.88 2duw s ASN 106 N 2.20 3.70 0.44 3.58 3.84 -1.26 -4.96 114.94 122.48 2duw s ASN 106 Ca 0.08 -2.86 0.20 0.00 0.21 0.00 0.00 52.86 50.50 2duw s ASN 106 Cb -0.15 -1.14 1.15 0.00 -0.55 0.00 0.00 41.25 40.56 2duw s ASN 106 CO -0.32 -0.23 1.86 -0.08 -2.79 0.00 0.00 177.10 175.54 2duw h GLU 107 N 6.46 0.33 -0.69 0.43 4.81 -1.99 0.12 114.58 124.05 2duw h GLU 107 Ca 0.02 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2duw h GLU 107 Cb 0.90 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2duw h GLU 107 CO 0.53 0.22 0.14 0.37 -0.73 0.00 0.00 179.01 179.54 2duw h GLN 108 N 0.34 1.12 -0.03 1.92 4.15 -2.00 -2.22 115.11 118.39 2duw h GLN 108 Ca 0.46 -0.28 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 2duw h GLN 108 Cb 1.25 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2duw h GLN 108 CO -0.15 1.00 -0.48 0.00 -1.93 0.00 0.00 178.83 177.27 2duw h ALA 109 N 1.07 1.15 -0.09 3.38 0.00 -1.17 -1.86 119.26 121.73 2duw h ALA 109 Ca 0.21 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2duw h ALA 109 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2duw h ALA 109 CO 0.01 0.61 -0.54 0.00 0.00 0.00 0.00 179.25 179.33 2duw h ALA 110 N 1.46 0.91 0.09 0.00 0.00 -1.00 -3.06 119.26 117.66 2duw h ALA 110 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2duw h ALA 110 Cb 0.87 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2duw h ALA 110 CO 0.07 0.69 -0.88 0.28 0.00 0.00 0.00 179.25 179.41 2duw h VAL 111 N 0.21 1.41 -0.77 0.00 2.07 -1.22 -2.61 116.25 115.35 2duw h VAL 111 Ca 0.00 -2.36 0.14 0.00 0.82 0.00 0.00 66.70 65.30 2duw h VAL 111 Cb 1.02 2.86 -0.09 0.00 -1.52 0.00 0.00 31.29 33.55 2duw h VAL 111 CO 0.09 0.69 0.34 0.25 0.02 0.00 0.00 177.57 178.96 2duw h LEU 112 N -0.09 0.36 -0.38 2.57 5.85 -1.36 0.30 115.31 122.56 2duw h LEU 112 Ca -0.14 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 2duw h LEU 112 Cb 1.62 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2duw h LEU 112 CO 0.17 0.15 -0.76 0.00 -0.34 0.00 0.00 178.44 177.66 2duw h ALA 113 N 1.54 0.68 -0.25 1.25 0.00 -1.62 -3.23 119.26 117.63 2duw h ALA 113 Ca 0.42 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2duw h ALA 113 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2duw h ALA 113 CO -0.38 0.95 -0.50 -0.09 0.00 0.00 0.00 179.25 179.23 2duw h ARG 114 N 0.00 0.68 -0.82 0.00 1.12 -0.56 0.12 114.38 114.92 2duw h ARG 114 Ca -0.01 -0.40 0.14 0.00 -1.11 0.00 0.00 59.98 58.60 2duw h ARG 114 Cb 1.40 0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 31.34 2duw h ARG 114 CO 0.10 1.02 0.54 0.93 -3.11 0.00 0.00 179.97 179.44 2duw h GLU 115 N 0.54 0.54 0.00 0.20 4.39 -0.53 -0.95 114.58 118.77 2duw h GLU 115 Ca 0.02 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 2duw h GLU 115 Cb 1.05 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2duw h GLU 115 CO 0.10 0.36 -1.49 0.00 -1.16 0.00 0.00 179.01 176.82 2duw n ALA 116 N -2.48 2.12 0.00 3.43 0.00 -1.15 -4.97 120.51 117.45 2duw n ALA 116 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2duw n ALA 116 Cb 0.49 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2duw n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2duw n GLY 117 N 1.37 0.76 3.48 0.00 0.00 -0.34 -5.08 105.19 105.38 2duw n GLY 117 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 1.17 -4.45 0.99 7.94 0.28 -4.89 117.00 118.04 2duw n LEU 118 Ca 0.00 0.61 -0.43 0.00 -1.11 0.00 0.00 56.01 55.08 2duw n LEU 118 Cb 0.00 -1.24 -0.04 0.00 0.53 0.00 0.00 43.42 42.67 2duw n LEU 118 CO 0.00 -2.97 0.74 -0.44 -1.11 0.00 0.00 177.39 173.61 2duw s SER 119 N -1.48 6.18 -0.15 1.96 0.01 -1.26 -4.32 113.70 114.63 2duw s SER 119 Ca 0.67 -1.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 2duw s SER 119 Cb -0.35 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 2duw s SER 119 CO 0.57 -1.42 0.50 0.54 0.41 0.00 0.00 173.24 173.84 2duw s VAL 120 N 3.98 5.15 -0.21 3.43 0.11 -1.26 -0.26 120.40 131.35 2duw s VAL 120 Ca 0.22 0.97 -0.03 0.00 -2.93 0.00 0.00 61.98 60.21 2duw s VAL 120 Cb -0.17 -3.83 0.06 0.00 -1.53 0.00 0.00 36.38 30.91 2duw s VAL 120 CO 0.10 0.26 0.04 -0.69 -3.33 0.00 0.00 175.10 171.48 2duw s VAL 121 N 1.05 0.58 0.43 2.04 1.01 0.86 -4.97 120.40 121.40 2duw s VAL 121 Ca 0.25 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2duw s VAL 121 Cb -0.15 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2duw s VAL 121 CO 0.10 -0.25 0.41 1.15 0.00 0.00 0.00 175.10 176.51 2duw n MET 122 N 5.02 0.81 -4.40 2.72 0.00 -1.26 -1.76 117.12 118.25 2duw n MET 122 Ca -0.09 -2.59 -0.40 0.00 0.00 0.00 0.00 57.70 54.62 2duw n MET 122 Cb 0.47 0.14 -0.06 0.00 0.00 0.00 0.00 33.22 33.76 2duw n MET 122 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2duw n ASP 123 N -2.06 -2.23 -3.93 3.17 5.75 -1.17 -4.90 116.55 111.18 2duw n ASP 123 Ca 0.03 -1.13 -0.10 0.00 -0.01 0.00 0.00 54.79 53.57 2duw n ASP 123 Cb 0.48 -1.90 -0.11 0.00 -1.03 0.00 0.00 41.12 38.56 2duw n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2duw s ARG 124 N -7.10 0.38 -0.20 0.11 1.81 -1.26 -4.68 118.95 108.02 2duw s ARG 124 Ca 0.79 -0.52 -0.11 0.00 -1.72 0.00 0.00 55.73 54.17 2duw s ARG 124 Cb -0.45 0.15 0.07 0.00 -0.45 0.00 0.00 34.95 34.26 2duw s ARG 124 CO 0.97 -0.08 0.48 0.00 -0.68 0.00 0.00 175.30 175.99 2duw h PRO 126 N 7.15 0.00 -0.68 0.00 0.13 -1.94 -1.51 132.00 135.14 2duw h PRO 126 Ca -0.34 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2duw h PRO 126 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2duw h PRO 126 CO 0.25 0.14 0.37 0.00 -0.23 0.00 0.00 178.00 178.54 2duw h ALA 127 N 1.86 0.92 0.00 -0.56 0.00 -2.00 0.22 119.26 119.70 2duw h ALA 127 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2duw h ALA 127 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2duw h ALA 127 CO 0.02 0.04 -1.84 -0.89 0.00 0.00 0.00 179.25 176.58 2duw n ILE 128 N -4.79 0.21 0.51 0.00 5.41 -1.18 -4.14 119.36 115.38 2duw n ILE 128 Ca 0.09 -0.53 0.13 0.00 1.00 0.00 0.00 62.75 63.44 2duw n ILE 128 Cb 0.19 -0.10 0.35 0.00 -0.71 0.00 0.00 39.64 39.38 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 0.00 0.39 0.38 4.22 -1.01 -2.97 114.58 115.59 2duw h GLU 129 Ca -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 2duw h GLU 129 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2duw h GLU 129 CO 0.00 0.00 -0.19 1.25 -2.18 0.00 0.00 179.01 177.90 2duw h LEU 130 N 0.00 -0.44 -1.34 1.64 5.85 -0.73 -3.28 115.31 117.01 2duw h LEU 130 Ca 0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2duw h LEU 130 Cb 0.79 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2duw h LEU 130 CO 0.00 -0.00 -0.18 1.55 -0.34 0.00 0.00 178.44 179.46 2duw h PRO 131 N -1.03 0.00 -0.04 5.25 0.13 -1.77 -2.91 132.00 131.63 2duw h PRO 131 Ca -0.05 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2duw h PRO 131 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2duw h PRO 131 CO 0.09 0.18 0.12 0.07 -0.23 0.00 0.00 178.00 178.23 2duw h ARG 132 N 0.00 0.00 0.00 0.86 -0.00 -1.58 -0.81 114.38 112.85 2duw h ARG 132 Ca -0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.64 2duw h ARG 132 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.54 2duw h ARG 132 CO 0.02 0.00 -2.07 1.28 -0.00 0.00 0.00 179.97 179.20 2duw n LEU 133 N -3.25 0.58 -0.09 0.08 4.32 -1.10 -5.02 117.00 112.52 2duw n LEU 133 Ca -0.02 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2duw n LEU 133 Cb 0.20 0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2duw n LEU 133 CO 0.21 0.47 0.00 0.61 -1.22 0.00 0.00 177.39 177.46 2duw n GLY 134 N 1.68 1.00 0.01 -0.72 0.00 -0.31 -5.01 105.19 101.84 2duw n GLY 134 Ca -0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.09 0.00 -4.62 0.99 4.77 -1.25 -5.04 117.00 111.75 2duw n LEU 135 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 2duw n LEU 135 Cb 0.09 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2duw n LEU 135 CO 0.00 0.05 0.66 0.00 -1.33 0.00 0.00 177.39 176.77 2duw n ALA 136 N -1.92 0.23 0.98 -1.18 0.00 -1.26 -5.06 120.51 112.30 2duw n ALA 136 Ca -0.04 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.85 2duw n ALA 136 Cb 0.39 -2.09 0.46 0.00 0.00 0.00 0.00 19.45 18.22 2duw n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13