#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1luw s HIS 2 N 0.00 3.41 0.06 5.64 3.76 -1.26 -5.08 115.29 121.82 1luw s HIS 2 Ca 0.00 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.38 1luw s HIS 2 Cb 0.00 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.99 1luw s HIS 2 CO 0.00 0.07 -0.19 -1.12 -0.85 0.00 0.00 174.74 172.65 1luw s SER 3 N -2.12 2.26 -0.22 1.40 0.01 -1.26 -4.93 113.70 108.84 1luw s SER 3 Ca 0.55 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 1luw s SER 3 Cb -0.11 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 1luw s SER 3 CO 0.17 0.10 1.27 -0.22 0.41 0.00 0.00 173.24 174.96 1luw s LEU 4 N -1.36 4.06 0.23 2.44 2.96 -1.26 -4.99 118.68 120.76 1luw s LEU 4 Ca 0.05 1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 55.15 1luw s LEU 4 Cb -0.09 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1luw s LEU 4 CO 0.02 -0.88 1.11 -2.16 -1.32 0.00 0.00 176.35 173.12 1luw s PRO 5 N 3.75 4.60 0.63 0.98 0.04 -1.26 -5.00 135.00 138.74 1luw s PRO 5 Ca 0.55 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1luw s PRO 5 Cb -0.19 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1luw s PRO 5 CO 0.17 0.11 1.27 -0.51 0.04 0.00 0.00 177.00 178.09 1luw s ASP 6 N -0.43 4.78 0.60 6.66 -0.00 -1.26 -4.96 116.67 122.05 1luw s ASP 6 Ca 0.48 2.55 -0.16 0.00 -0.00 0.00 0.00 52.55 55.42 1luw s ASP 6 Cb -0.31 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 39.96 1luw s ASP 6 CO 0.38 -1.88 1.07 -0.76 -0.00 0.00 0.00 175.17 173.97 1luw s LEU 7 N -4.28 3.50 0.00 1.23 1.02 -1.26 -4.91 118.68 113.99 1luw s LEU 7 Ca 0.81 1.86 0.18 0.00 0.02 0.00 0.00 54.13 57.00 1luw s LEU 7 Cb -0.35 -4.54 0.91 0.00 0.02 0.00 0.00 46.19 42.23 1luw s LEU 7 CO 0.38 -1.22 1.60 -2.65 0.02 0.00 0.00 176.35 174.48 1luw n PRO 8 N -2.02 1.22 -3.83 1.29 -0.02 -1.26 -4.88 135.00 125.49 1luw n PRO 8 Ca 0.09 -0.33 -0.07 0.00 -2.02 0.00 0.00 63.50 61.17 1luw n PRO 8 Cb 0.53 -1.30 0.03 0.00 -0.02 0.00 0.00 33.50 32.73 1luw n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1luw s TYR 9 N -1.93 0.13 0.29 6.00 1.13 -1.26 -5.08 117.35 116.63 1luw s TYR 9 Ca 0.27 -0.73 -0.29 0.00 -1.41 0.00 0.00 57.07 54.90 1luw s TYR 9 Cb 0.13 0.81 -0.10 0.00 -1.10 0.00 0.00 41.96 41.70 1luw s TYR 9 CO 0.21 -1.39 1.32 0.34 -2.51 0.00 0.00 175.55 173.52 1luw s ASP 10 N -3.20 6.79 0.48 -0.18 3.68 -1.26 -4.92 116.67 118.07 1luw s ASP 10 Ca 0.18 2.62 0.24 0.00 2.13 0.00 0.00 52.55 57.72 1luw s ASP 10 Cb -0.04 -2.64 1.29 0.00 -1.45 0.00 0.00 42.92 40.08 1luw s ASP 10 CO 0.10 -0.55 1.90 1.88 0.13 0.00 0.00 175.17 178.63 1luw h TYR 11 N 4.07 0.23 -0.70 -5.34 0.99 -1.97 0.31 116.97 114.57 1luw h TYR 11 Ca -0.48 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1luw h TYR 11 Cb 1.22 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.88 1luw h TYR 11 CO 0.58 0.07 0.00 0.41 -0.00 0.00 0.00 178.16 179.21 1luw n GLY 12 N -1.61 2.63 0.00 3.88 0.00 -1.26 -4.13 105.19 104.69 1luw n GLY 12 Ca 0.17 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1luw n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1luw n ALA 13 N 1.42 1.88 -0.09 4.61 0.00 0.10 -2.78 120.51 125.64 1luw n ALA 13 Ca 0.26 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1luw n ALA 13 Cb 0.77 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 19.16 1luw n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1luw n LEU 14 N -1.49 3.56 -4.73 0.00 4.32 -1.26 -4.36 117.00 113.03 1luw n LEU 14 Ca 0.05 -1.80 -0.39 0.00 -0.02 0.00 0.00 56.01 53.85 1luw n LEU 14 Cb 0.22 -0.35 0.04 0.00 -1.62 0.00 0.00 43.42 41.71 1luw n LEU 14 CO 0.18 0.85 0.94 -0.62 -1.22 0.00 0.00 177.39 177.51 1luw n GLU 15 N 1.38 1.66 0.00 3.23 -0.58 -1.12 -2.26 120.64 122.95 1luw n GLU 15 Ca 0.20 0.61 0.12 0.00 -0.42 0.00 0.00 57.16 57.67 1luw n GLU 15 Cb 0.57 -2.52 0.14 0.00 -0.57 0.00 0.00 31.44 29.06 1luw n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1luw n PRO 16 N -0.87 1.54 -0.03 3.49 -0.04 -1.26 -4.86 135.00 132.97 1luw n PRO 16 Ca 0.10 -1.20 -0.09 0.00 -0.04 0.00 0.00 63.50 62.27 1luw n PRO 16 Cb 0.44 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1luw n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1luw h HIS 17 N 2.93 -0.13 -3.26 0.54 3.86 -1.79 -3.38 115.15 113.92 1luw h HIS 17 Ca 0.00 0.02 -0.54 0.00 -1.16 0.00 0.00 60.37 58.69 1luw h HIS 17 Cb 0.77 0.08 -0.37 0.00 1.06 0.00 0.00 27.41 28.95 1luw h HIS 17 CO 0.00 -0.10 -0.80 0.42 0.86 0.00 0.00 177.93 178.32 1luw s ILE 18 N -6.20 1.05 0.78 2.45 1.01 -0.96 -4.80 121.20 114.53 1luw s ILE 18 Ca -0.14 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1luw s ILE 18 Cb 0.10 -1.15 0.06 0.00 0.01 0.00 0.00 42.46 41.47 1luw s ILE 18 CO 0.68 0.24 1.09 0.54 0.00 0.00 0.00 174.94 177.49 1luw s ASN 19 N 1.68 4.62 0.23 3.58 2.20 -1.26 -3.35 114.94 122.64 1luw s ASN 19 Ca 0.03 1.31 -0.07 0.00 -0.94 0.00 0.00 52.86 53.19 1luw s ASN 19 Cb -0.14 -2.06 0.20 0.00 -2.00 0.00 0.00 41.25 37.25 1luw s ASN 19 CO -0.08 -1.89 1.85 0.00 -2.94 0.00 0.00 177.10 174.05 1luw h ALA 20 N -1.03 1.14 -0.80 3.54 0.00 -1.89 -2.42 119.26 117.80 1luw h ALA 20 Ca -0.47 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1luw h ALA 20 Cb 1.26 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1luw h ALA 20 CO 0.59 0.64 0.52 0.37 0.00 0.00 0.00 179.25 181.38 1luw h GLN 21 N 1.24 1.03 -0.28 0.00 4.15 -1.93 -0.24 115.11 119.08 1luw h GLN 21 Ca 0.31 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 1luw h GLN 21 Cb 0.02 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1luw h GLN 21 CO -0.05 0.68 0.01 0.82 -1.93 0.00 0.00 178.83 178.36 1luw h ILE 22 N 1.06 1.25 -0.59 2.39 2.04 -1.89 -2.10 117.51 119.67 1luw h ILE 22 Ca 0.30 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1luw h ILE 22 Cb -0.09 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1luw h ILE 22 CO -0.07 0.29 0.33 0.24 0.00 0.00 0.00 178.15 178.94 1luw h MET 23 N 0.28 0.82 0.14 2.37 2.86 -1.06 0.21 114.93 120.55 1luw h MET 23 Ca 0.08 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1luw h MET 23 Cb 0.41 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1luw h MET 23 CO 0.01 0.61 -0.07 0.37 1.06 0.00 0.00 176.91 178.90 1luw h GLN 24 N 0.80 -0.19 0.28 1.72 4.15 -1.01 0.84 115.11 121.70 1luw h GLN 24 Ca 0.21 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1luw h GLN 24 Cb 0.03 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1luw h GLN 24 CO -0.04 -0.06 -0.14 -0.07 -1.93 0.00 0.00 178.83 176.60 1luw h LEU 25 N -0.27 -0.32 -0.45 -2.39 3.38 -1.27 0.26 115.31 114.26 1luw h LEU 25 Ca -0.02 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1luw h LEU 25 Cb 0.21 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1luw h LEU 25 CO 0.03 -0.23 -0.14 -0.74 0.09 0.00 0.00 178.44 177.46 1luw h HIS 26 N -0.38 -0.30 0.12 1.13 2.76 -0.46 0.26 115.15 118.27 1luw h HIS 26 Ca -0.04 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1luw h HIS 26 Cb 0.29 0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1luw h HIS 26 CO -0.06 -0.22 -0.06 1.25 -1.30 0.00 0.00 177.93 177.55 1luw h HIS 27 N -0.03 -0.14 0.00 5.26 -0.00 -0.75 -0.85 115.15 118.64 1luw h HIS 27 Ca 0.22 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 1luw h HIS 27 Cb 0.36 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1luw h HIS 27 CO -0.41 0.08 -0.38 0.66 -0.00 0.00 0.00 177.93 177.88 1luw h SER 28 N -1.01 0.00 0.00 3.26 4.64 -0.48 -3.00 113.55 116.96 1luw h SER 28 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1luw h SER 28 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1luw h SER 28 CO 0.03 0.38 -0.48 0.29 -0.87 0.00 0.00 176.83 176.18 1luw n LYS 29 N -3.77 0.25 0.23 4.77 4.76 0.86 -4.36 118.16 120.91 1luw n LYS 29 Ca -0.01 0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 1luw n LYS 29 Cb 0.46 -0.90 -0.05 0.00 -1.84 0.00 0.00 35.03 32.70 1luw n LYS 29 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1luw h GLN 30 N -0.48 -0.61 -0.69 1.97 1.08 -1.37 -1.98 115.11 113.04 1luw h GLN 30 Ca 0.00 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.33 1luw h GLN 30 Cb 0.48 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.98 1luw h GLN 30 CO 0.00 -0.40 0.34 1.25 -0.95 0.00 0.00 178.83 179.06 1luw h HIS 31 N -0.63 0.61 -0.84 2.96 2.76 -1.25 -1.81 115.15 116.94 1luw h HIS 31 Ca -0.06 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1luw h HIS 31 Cb 0.50 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 1luw h HIS 31 CO 0.03 0.22 0.55 0.00 -1.30 0.00 0.00 177.93 177.43 1luw h ALA 32 N 1.42 1.58 0.55 5.26 0.00 -1.50 -1.86 119.26 124.71 1luw h ALA 32 Ca 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1luw h ALA 32 Cb 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1luw h ALA 32 CO -0.27 0.30 -0.26 0.00 0.00 0.00 0.00 179.25 179.02 1luw h ALA 33 N 1.54 -0.73 -0.74 0.00 0.00 -0.53 -1.88 119.26 116.92 1luw h ALA 33 Ca 0.36 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1luw h ALA 33 Cb 0.21 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1luw h ALA 33 CO -0.13 -0.81 -0.25 1.88 0.00 0.00 0.00 179.25 179.94 1luw h TYR 34 N -0.94 -0.62 0.13 0.00 0.99 -1.16 0.35 116.97 115.72 1luw h TYR 34 Ca -0.07 0.07 0.02 0.00 2.00 0.00 0.00 58.73 60.74 1luw h TYR 34 Cb 0.63 0.39 -0.03 0.00 1.00 0.00 0.00 36.73 38.71 1luw h TYR 34 CO -0.00 -0.35 -0.25 0.28 -0.00 0.00 0.00 178.16 177.84 1luw h VAL 35 N -0.05 0.46 0.01 -2.88 2.07 -1.29 0.47 116.25 115.03 1luw h VAL 35 Ca 0.33 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.88 1luw h VAL 35 Cb 0.56 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1luw h VAL 35 CO -0.78 0.00 -0.21 0.78 0.02 0.00 0.00 177.57 177.38 1luw h ASN 36 N -0.45 -0.62 -0.54 0.57 -0.26 -0.20 -1.17 115.58 112.89 1luw h ASN 36 Ca 0.03 0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.81 1luw h ASN 36 Cb 0.47 0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.96 1luw h ASN 36 CO -0.13 -0.28 0.18 0.78 -1.06 0.00 0.00 177.43 176.92 1luw h ASN 37 N -0.34 0.82 -0.53 5.81 -0.26 -0.18 -2.01 115.58 118.89 1luw h ASN 37 Ca 0.06 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1luw h ASN 37 Cb 0.42 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1luw h ASN 37 CO -0.19 0.78 0.31 0.25 -1.06 0.00 0.00 177.43 177.52 1luw h LEU 38 N 0.86 0.64 -1.14 1.61 5.85 0.29 0.24 115.31 123.66 1luw h LEU 38 Ca 0.19 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1luw h LEU 38 Cb 0.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1luw h LEU 38 CO -0.01 0.51 0.27 0.78 -0.34 0.00 0.00 178.44 179.66 1luw h ASN 39 N 0.71 0.79 -0.04 1.25 2.35 -0.79 0.26 115.58 120.10 1luw h ASN 39 Ca 0.19 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1luw h ASN 39 Cb -0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1luw h ASN 39 CO -0.03 0.69 -0.51 0.58 -1.65 0.00 0.00 177.43 176.51 1luw h VAL 40 N 0.87 1.31 -0.20 2.81 2.07 -0.80 -2.23 116.25 120.07 1luw h VAL 40 Ca 0.21 -1.73 -0.12 0.00 0.82 0.00 0.00 66.70 65.88 1luw h VAL 40 Cb 0.13 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1luw h VAL 40 CO -0.02 0.54 -0.34 0.74 0.02 0.00 0.00 177.57 178.51 1luw h THR 41 N 0.48 1.33 -0.80 2.57 2.02 -0.39 -2.47 112.91 115.64 1luw h THR 41 Ca 0.02 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1luw h THR 41 Cb 1.05 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 1luw h THR 41 CO 0.10 0.48 0.47 -0.33 0.37 0.00 0.00 175.52 176.61 1luw h GLU 42 N 0.27 1.10 -0.22 6.66 5.08 -0.97 0.26 114.58 126.76 1luw h GLU 42 Ca 0.02 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1luw h GLU 42 Cb 0.93 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1luw h GLU 42 CO 0.08 0.79 0.10 1.49 -1.00 0.00 0.00 179.01 180.46 1luw h GLU 43 N 1.11 0.21 -0.17 2.33 4.22 -1.37 -0.99 114.58 119.92 1luw h GLU 43 Ca 0.29 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.62 1luw h GLU 43 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1luw h GLU 43 CO -0.05 0.14 -0.32 0.87 -2.18 0.00 0.00 179.01 177.46 1luw h LYS 44 N 0.21 0.35 -0.58 1.92 1.57 -0.94 -2.77 116.57 116.33 1luw h LYS 44 Ca 0.09 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1luw h LYS 44 Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1luw h LYS 44 CO -0.08 0.64 0.10 -0.92 -0.57 0.00 0.00 179.45 178.62 1luw h TYR 45 N 0.31 1.03 -0.41 -1.35 3.20 0.00 -1.61 116.97 118.14 1luw h TYR 45 Ca 0.04 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1luw h TYR 45 Cb 0.72 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1luw h TYR 45 CO 0.02 0.89 0.24 0.37 -1.64 0.00 0.00 178.16 178.04 1luw h GLN 46 N 0.87 0.54 -0.06 1.82 5.75 -0.95 0.33 115.11 123.42 1luw h GLN 46 Ca 0.18 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1luw h GLN 46 Cb 0.42 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 1luw h GLN 46 CO 0.01 0.38 -0.01 0.93 -2.65 0.00 0.00 178.83 177.50 1luw h GLU 47 N 0.56 0.10 -0.22 1.69 4.39 -1.14 -1.48 114.58 118.49 1luw h GLU 47 Ca 0.15 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1luw h GLU 47 Cb -0.02 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1luw h GLU 47 CO -0.03 0.41 0.11 0.00 -1.16 0.00 0.00 179.01 178.34 1luw h ALA 48 N 0.69 0.26 -0.19 3.43 0.00 -0.74 -2.67 119.26 120.04 1luw h ALA 48 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1luw h ALA 48 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1luw h ALA 48 CO 0.00 -0.30 0.03 1.25 0.00 0.00 0.00 179.25 180.23 1luw h LEU 49 N 0.23 -0.02 -1.25 0.00 5.85 -0.94 -0.02 115.31 119.16 1luw h LEU 49 Ca 0.09 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1luw h LEU 49 Cb 0.02 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1luw h LEU 49 CO -0.06 0.02 0.57 0.00 -0.34 0.00 0.00 178.44 178.63 1luw h ALA 50 N 1.15 1.74 -0.58 1.25 0.00 -1.02 -1.54 119.26 120.25 1luw h ALA 50 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1luw h ALA 50 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1luw h ALA 50 CO -0.13 0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.53 1luw n LYS 51 N -4.55 3.97 -2.72 0.00 2.85 -1.01 -4.95 118.16 111.75 1luw n LYS 51 Ca 0.16 -2.94 -0.21 0.00 -1.05 0.00 0.00 58.31 54.27 1luw n LYS 51 Cb 0.39 -1.97 0.01 0.00 -0.65 0.00 0.00 35.03 32.81 1luw n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1luw n GLY 52 N 0.81 -0.51 3.47 2.58 0.00 -0.58 -4.93 105.19 106.03 1luw n GLY 52 Ca 0.25 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1luw n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1luw s ASP 53 N -2.36 6.51 0.25 1.61 3.68 -0.10 -4.85 116.67 121.41 1luw s ASP 53 Ca 0.15 -1.73 0.00 0.00 2.13 0.00 0.00 52.55 53.10 1luw s ASP 53 Cb -0.07 -2.43 0.32 0.00 -1.45 0.00 0.00 42.92 39.30 1luw s ASP 53 CO 0.19 -1.21 1.68 0.58 0.13 0.00 0.00 175.17 176.53 1luw h VAL 54 N 6.01 1.27 -0.15 1.11 2.07 -1.91 -2.27 116.25 122.37 1luw h VAL 54 Ca 0.07 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1luw h VAL 54 Cb 1.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1luw h VAL 54 CO 1.17 0.43 0.10 0.74 0.02 0.00 0.00 177.57 180.02 1luw h THR 55 N 0.50 1.05 -0.21 2.57 2.02 -1.98 -1.09 112.91 115.76 1luw h THR 55 Ca 0.07 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1luw h THR 55 Cb 0.72 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1luw h THR 55 CO 0.06 0.05 0.09 0.00 0.37 0.00 0.00 175.52 176.08 1luw h ALA 56 N 1.04 0.24 -0.45 6.16 0.00 -1.93 -0.02 119.26 124.31 1luw h ALA 56 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1luw h ALA 56 Cb -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1luw h ALA 56 CO -0.01 -0.33 0.07 1.96 0.00 0.00 0.00 179.25 180.95 1luw h GLN 57 N 0.20 0.20 -0.60 0.00 4.20 -1.22 -1.04 115.11 116.84 1luw h GLN 57 Ca 0.09 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1luw h GLN 57 Cb 0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1luw h GLN 57 CO -0.07 0.13 -0.02 0.82 -0.67 0.00 0.00 178.83 179.02 1luw h ILE 58 N 0.20 1.27 -0.22 2.54 2.04 -0.74 -2.82 117.51 119.77 1luw h ILE 58 Ca 0.22 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1luw h ILE 58 Cb 0.29 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1luw h ILE 58 CO -0.30 0.42 -0.09 0.00 0.00 0.00 0.00 178.15 178.18 1luw h ALA 59 N 1.00 1.44 0.00 1.87 0.00 -0.53 -2.09 119.26 120.95 1luw h ALA 59 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1luw h ALA 59 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1luw h ALA 59 CO 0.03 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1luw n LEU 60 N -4.27 0.00 -0.08 0.00 4.77 -0.44 -4.07 117.00 112.91 1luw n LEU 60 Ca 0.00 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1luw n LEU 60 Cb 0.27 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1luw n LEU 60 CO 0.38 -0.02 0.96 1.56 -1.33 0.00 0.00 177.39 178.94 1luw h GLN 61 N 0.00 0.37 -0.94 3.23 4.20 -1.24 -2.06 115.11 118.67 1luw h GLN 61 Ca 0.00 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1luw h GLN 61 Cb 0.20 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 1luw h GLN 61 CO 0.00 0.30 0.59 -1.35 -0.67 0.00 0.00 178.83 177.70 1luw h PRO 62 N 0.35 1.02 -0.18 1.46 0.11 -1.79 -1.71 132.00 131.25 1luw h PRO 62 Ca 0.10 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.98 1luw h PRO 62 Cb 0.02 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 1luw h PRO 62 CO -0.02 0.67 -0.57 0.00 -0.21 0.00 0.00 178.00 177.87 1luw h ALA 63 N 1.45 0.67 -0.27 -0.75 0.00 -1.78 -2.25 119.26 116.33 1luw h ALA 63 Ca 0.42 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1luw h ALA 63 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1luw h ALA 63 CO -0.19 0.69 -0.57 1.25 0.00 0.00 0.00 179.25 180.43 1luw h LEU 64 N 0.42 0.94 -0.31 0.00 6.46 -1.02 -1.27 115.31 120.54 1luw h LEU 64 Ca 0.00 -0.51 -0.18 0.00 -0.12 0.00 0.00 57.88 57.07 1luw h LEU 64 Cb 1.12 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1luw h LEU 64 CO 0.11 1.31 -0.50 0.50 -0.62 0.00 0.00 178.44 179.23 1luw h LYS 65 N 0.64 0.89 0.79 1.25 3.64 -1.36 0.44 116.57 122.85 1luw h LYS 65 Ca 0.01 -0.54 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1luw h LYS 65 Cb 1.17 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1luw h LYS 65 CO 0.12 1.18 -0.38 0.35 -2.27 0.00 0.00 179.45 178.46 1luw h PHE 66 N 0.68 -0.98 -0.24 1.91 3.04 -1.38 0.38 116.94 120.35 1luw h PHE 66 Ca 0.03 -0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1luw h PHE 66 Cb 1.11 0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.94 1luw h PHE 66 CO 0.07 -0.61 -0.57 -0.91 -2.02 0.00 0.00 178.31 174.28 1luw h ASN 67 N -1.27 0.85 -0.39 0.41 4.21 -1.35 0.12 115.58 118.15 1luw h ASN 67 Ca -0.11 -0.46 -0.08 0.00 1.21 0.00 0.00 56.30 56.86 1luw h ASN 67 Cb 0.81 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1luw h ASN 67 CO 0.18 1.23 -0.07 1.23 -1.29 0.00 0.00 177.43 178.71 1luw h GLY 68 N 0.82 0.80 1.28 2.83 0.00 -0.98 -1.89 103.07 105.93 1luw h GLY 68 Ca 0.01 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1luw h GLY 68 CO 0.12 0.59 0.03 -1.33 0.00 0.00 0.00 176.54 175.95 1luw h GLY 69 N 0.55 0.95 0.99 4.60 0.00 -0.17 -1.70 103.07 108.29 1luw h GLY 69 Ca 0.10 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1luw h GLY 69 CO 0.03 0.59 0.46 -1.33 0.00 0.00 0.00 176.54 176.28 1luw h GLY 70 N 0.99 0.98 0.78 4.60 0.00 -0.52 -0.29 103.07 109.62 1luw h GLY 70 Ca 0.16 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1luw h GLY 70 CO 0.02 0.34 0.00 0.84 0.00 0.00 0.00 176.54 177.74 1luw h HIS 71 N 0.93 0.02 0.27 5.60 6.17 -1.01 -1.73 115.15 125.39 1luw h HIS 71 Ca 0.26 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.34 1luw h HIS 71 Cb -0.09 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1luw h HIS 71 CO -0.03 0.23 -0.29 0.82 0.71 0.00 0.00 177.93 179.37 1luw h ILE 72 N -0.21 0.38 -0.26 6.26 2.04 -1.08 -1.95 117.51 122.70 1luw h ILE 72 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1luw h ILE 72 Cb 0.22 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 1luw h ILE 72 CO 0.00 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.89 1luw h ASN 73 N -0.61 -0.18 0.38 1.72 2.35 -1.05 -2.69 115.58 115.51 1luw h ASN 73 Ca -0.01 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1luw h ASN 73 Cb 0.56 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1luw h ASN 73 CO -0.07 -0.06 -0.64 0.45 -1.65 0.00 0.00 177.43 175.46 1luw h HIS 74 N 0.03 0.32 -0.86 1.19 3.86 -1.29 -0.93 115.15 117.49 1luw h HIS 74 Ca 0.12 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1luw h HIS 74 Cb 0.18 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1luw h HIS 74 CO -0.23 0.82 0.53 0.77 0.86 0.00 0.00 177.93 180.67 1luw h SER 75 N 0.18 1.02 -0.14 2.45 0.02 -1.20 -1.10 113.55 114.77 1luw h SER 75 Ca -0.01 -0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 1luw h SER 75 Cb 1.17 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.46 1luw h SER 75 CO 0.10 0.77 -0.60 0.40 -1.14 0.00 0.00 176.83 176.36 1luw h ILE 76 N 1.17 1.32 -0.55 3.27 2.04 -1.33 -3.27 117.51 120.17 1luw h ILE 76 Ca 0.31 -1.86 0.10 0.00 1.00 0.00 0.00 64.86 64.41 1luw h ILE 76 Cb -0.07 2.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 1luw h ILE 76 CO -0.06 0.58 0.13 0.15 0.00 0.00 0.00 178.15 178.94 1luw h PHE 77 N 0.34 0.21 -0.40 1.37 3.57 -0.48 -1.24 116.94 120.30 1luw h PHE 77 Ca -0.03 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1luw h PHE 77 Cb 1.24 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1luw h PHE 77 CO 0.10 -0.00 0.15 -1.49 -2.23 0.00 0.00 178.31 174.84 1luw h TRP 78 N 0.27 0.28 0.00 0.41 -0.00 -1.28 -2.30 115.95 113.32 1luw h TRP 78 Ca 0.28 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.15 1luw h TRP 78 Cb 0.39 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 1luw h TRP 78 CO -0.23 0.12 -0.18 1.79 -0.00 0.00 0.00 178.44 179.95 1luw h THR 79 N 0.32 0.68 0.00 1.49 1.35 -1.39 -2.40 112.91 112.96 1luw h THR 79 Ca 0.18 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1luw h THR 79 Cb 0.15 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1luw h THR 79 CO -0.17 0.17 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 1luw n ASN 80 N -3.68 0.00 -4.60 5.36 3.02 -0.55 -4.71 115.26 110.10 1luw n ASN 80 Ca -0.01 0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 54.49 1luw n ASN 80 Cb 0.30 -0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 1luw n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1luw s LEU 81 N -2.78 3.07 -0.02 3.41 1.43 -0.91 0.98 118.68 123.86 1luw s LEU 81 Ca 0.17 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1luw s LEU 81 Cb 0.15 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.74 1luw s LEU 81 CO 0.38 0.08 0.73 -0.55 0.23 0.00 0.00 176.35 177.22 1luw s SER 82 N -3.01 -0.57 0.24 2.29 0.15 0.08 -4.62 113.70 108.24 1luw s SER 82 Ca 0.27 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1luw s SER 82 Cb -0.08 0.50 0.26 0.00 -1.71 0.00 0.00 66.02 64.99 1luw s SER 82 CO 0.17 -0.64 1.61 -0.65 1.20 0.00 0.00 173.24 174.92 1luw h PRO 83 N 2.65 0.50 -0.64 5.44 0.11 -1.86 -2.97 132.00 135.24 1luw h PRO 83 Ca -0.27 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1luw h PRO 83 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1luw h PRO 83 CO 0.37 0.82 0.00 0.09 -0.21 0.00 0.00 178.00 179.07 1luw n ASN 84 N -4.03 4.01 -3.44 -2.05 5.03 -1.26 -4.95 115.26 108.58 1luw n ASN 84 Ca -0.02 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 53.12 1luw n ASN 84 Cb 0.51 -0.51 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 1luw n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1luw n GLY 85 N 1.11 -1.74 0.40 7.41 0.00 -1.12 -4.99 105.19 106.26 1luw n GLY 85 Ca 0.22 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1luw n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1luw n GLY 86 N 2.82 -1.81 7.00 -0.02 0.00 -0.11 -4.68 105.19 108.39 1luw n GLY 86 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1luw n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1luw n GLY 87 N 0.00 1.36 3.20 -0.02 0.00 -1.26 -4.78 105.19 103.69 1luw n GLY 87 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1luw n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1luw s GLU 88 N 0.00 0.93 1.01 1.61 2.02 -1.26 -5.02 118.70 117.99 1luw s GLU 88 Ca 0.00 -1.33 -0.16 0.00 0.02 0.00 0.00 54.97 53.51 1luw s GLU 88 Cb 0.00 -0.48 0.20 0.00 0.10 0.00 0.00 34.13 33.96 1luw s GLU 88 CO 0.00 0.05 1.20 -1.25 0.02 0.00 0.00 175.26 175.28 1luw s PRO 89 N -3.47 0.28 0.00 0.39 0.04 -1.26 -5.02 135.00 125.95 1luw s PRO 89 Ca 0.12 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1luw s PRO 89 Cb 0.02 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1luw s PRO 89 CO -0.01 -2.71 0.00 1.63 0.04 0.00 0.00 177.00 175.95 1luw n LYS 90 N -4.05 0.98 0.00 4.56 5.02 -1.26 -4.67 118.16 118.74 1luw n LYS 90 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1luw n LYS 90 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1luw n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1luw n GLY 91 N 1.53 1.11 0.26 0.72 0.00 -1.26 -2.40 105.19 105.15 1luw n GLY 91 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1luw n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1luw h GLU 92 N 0.00 -0.30 -0.74 1.61 5.08 -1.99 -2.33 114.58 115.90 1luw h GLU 92 Ca 0.00 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1luw h GLU 92 Cb 0.00 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.18 1luw h GLU 92 CO 0.00 -0.20 -0.20 1.25 -1.00 0.00 0.00 179.01 178.86 1luw h LEU 93 N -0.32 -0.74 -1.03 1.33 5.85 -1.96 1.10 115.31 119.54 1luw h LEU 93 Ca 0.09 0.23 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1luw h LEU 93 Cb 0.44 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1luw h LEU 93 CO -0.27 -0.25 0.27 0.25 -0.34 0.00 0.00 178.44 178.10 1luw h LEU 94 N -0.01 0.88 -0.57 2.25 5.85 -1.20 0.30 115.31 122.82 1luw h LEU 94 Ca 0.35 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 1luw h LEU 94 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1luw h LEU 94 CO -0.77 0.78 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.65 1luw h GLU 95 N 0.94 0.73 -0.20 1.25 4.81 0.09 0.04 114.58 122.24 1luw h GLU 95 Ca 0.22 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1luw h GLU 95 Cb 0.17 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1luw h GLU 95 CO -0.02 0.98 0.04 0.00 -0.73 0.00 0.00 179.01 179.29 1luw h ALA 96 N 0.97 0.26 0.11 2.92 0.00 0.19 0.10 119.26 123.81 1luw h ALA 96 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1luw h ALA 96 Cb 0.92 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1luw h ALA 96 CO 0.08 -0.09 -0.08 0.82 0.00 0.00 0.00 179.25 179.99 1luw h ILE 97 N 0.13 0.83 -0.45 0.00 2.04 -0.28 0.53 117.51 120.31 1luw h ILE 97 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1luw h ILE 97 Cb 0.28 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1luw h ILE 97 CO 0.00 0.00 0.24 0.11 0.00 0.00 0.00 178.15 178.50 1luw h LYS 98 N -0.19 0.47 -0.54 2.37 1.57 -0.92 0.11 116.57 119.44 1luw h LYS 98 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1luw h LYS 98 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1luw h LYS 98 CO -0.00 0.31 0.30 -0.09 -0.57 0.00 0.00 179.45 179.40 1luw h ARG 99 N 0.49 0.75 0.04 3.15 2.43 -0.43 0.12 114.38 120.94 1luw h ARG 99 Ca 0.19 -0.09 -0.24 0.00 -0.81 0.00 0.00 59.98 59.03 1luw h ARG 99 Cb 0.06 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1luw h ARG 99 CO -0.11 0.58 -1.16 -0.44 -1.51 0.00 0.00 179.97 177.33 1luw h ASP 100 N 0.72 0.13 0.00 -3.80 3.32 0.43 -3.38 116.42 113.84 1luw h ASP 100 Ca 0.19 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1luw h ASP 100 Cb 0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1luw h ASP 100 CO -0.03 1.12 0.00 0.49 -1.72 0.00 0.00 179.24 179.10 1luw n PHE 101 N -3.38 0.00 0.00 4.55 3.01 0.35 -5.05 117.46 116.94 1luw n PHE 101 Ca -0.05 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1luw n PHE 101 Cb 0.98 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.44 1luw n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1luw n GLY 102 N -0.07 1.95 0.00 1.37 0.00 0.43 -4.45 105.19 104.43 1luw n GLY 102 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1luw n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1luw n SER 103 N 2.42 1.03 0.10 1.61 3.41 -1.26 -4.37 113.62 116.57 1luw n SER 103 Ca 0.00 -0.77 -0.19 0.00 -0.26 0.00 0.00 58.87 57.65 1luw n SER 103 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1luw n SER 103 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1luw h PHE 104 N 0.77 0.65 -0.03 7.33 3.57 -1.93 -2.67 116.94 124.62 1luw h PHE 104 Ca 0.00 -0.47 -0.13 0.00 3.53 0.00 0.00 57.97 60.89 1luw h PHE 104 Cb 0.00 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1luw h PHE 104 CO 0.00 1.43 -0.60 -0.44 -2.23 0.00 0.00 178.31 176.48 1luw h ASP 105 N 0.10 0.12 -0.39 0.41 3.32 -1.97 -0.24 116.42 117.77 1luw h ASP 105 Ca -0.22 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.64 1luw h ASP 105 Cb 2.06 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.55 1luw h ASP 105 CO 0.21 0.69 -0.18 0.11 -1.72 0.00 0.00 179.24 178.35 1luw h LYS 106 N 0.08 0.88 0.41 3.56 1.57 -1.85 0.20 116.57 121.42 1luw h LYS 106 Ca -0.01 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1luw h LYS 106 Cb 1.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1luw h LYS 106 CO 0.08 0.99 -0.19 0.35 -0.57 0.00 0.00 179.45 180.11 1luw h PHE 107 N 0.77 -0.51 -0.39 -1.35 3.04 -1.06 -0.73 116.94 116.72 1luw h PHE 107 Ca 0.11 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.12 1luw h PHE 107 Cb 0.72 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.33 1luw h PHE 107 CO 0.04 -0.28 -0.05 0.87 -2.02 0.00 0.00 178.31 176.87 1luw h LYS 108 N -0.61 0.05 -0.67 1.11 1.57 -0.83 -0.72 116.57 116.47 1luw h LYS 108 Ca -0.06 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1luw h LYS 108 Cb 0.45 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 1luw h LYS 108 CO 0.09 0.03 0.36 1.49 -0.57 0.00 0.00 179.45 180.85 1luw h GLU 109 N 0.05 0.62 0.09 3.15 4.81 -0.43 0.23 114.58 123.10 1luw h GLU 109 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1luw h GLU 109 Cb 0.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1luw h GLU 109 CO -0.36 0.41 -0.05 0.87 -0.73 0.00 0.00 179.01 179.15 1luw h LYS 110 N 0.64 -0.12 -0.31 1.92 6.56 -0.30 -2.19 116.57 122.77 1luw h LYS 110 Ca 0.31 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.89 1luw h LYS 110 Cb 0.25 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.92 1luw h LYS 110 CO -0.21 0.19 0.12 1.25 -2.06 0.00 0.00 179.45 178.75 1luw h LEU 111 N -0.44 0.38 -0.32 2.94 5.85 -0.89 -0.87 115.31 121.96 1luw h LEU 111 Ca -0.01 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1luw h LEU 111 Cb 0.37 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1luw h LEU 111 CO 0.02 0.35 0.01 0.74 -0.34 0.00 0.00 178.44 179.22 1luw h THR 112 N 0.43 1.25 -0.21 1.05 2.02 -0.47 -1.43 112.91 115.55 1luw h THR 112 Ca 0.11 -0.93 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 1luw h THR 112 Cb 0.09 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1luw h THR 112 CO -0.01 0.31 -0.29 0.00 0.37 0.00 0.00 175.52 175.89 1luw h ALA 113 N 0.85 1.11 -0.44 6.16 0.00 -0.94 0.98 119.26 126.98 1luw h ALA 113 Ca 0.09 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1luw h ALA 113 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1luw h ALA 113 CO 0.01 0.56 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1luw h ALA 114 N 1.33 0.82 -0.04 0.00 0.00 -0.94 0.60 119.26 121.02 1luw h ALA 114 Ca 0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1luw h ALA 114 Cb 0.70 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1luw h ALA 114 CO 0.05 0.65 -0.65 0.77 0.00 0.00 0.00 179.25 180.07 1luw h SER 115 N 0.76 0.64 0.39 0.00 0.02 -0.97 -3.14 113.55 111.24 1luw h SER 115 Ca 0.11 -0.71 -0.07 0.00 -0.84 0.00 0.00 61.79 60.27 1luw h SER 115 Cb 0.74 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1luw h SER 115 CO 0.06 1.26 -0.34 0.58 -1.14 0.00 0.00 176.83 177.25 1luw h VAL 116 N 0.08 1.17 0.00 2.27 2.07 -0.79 -2.78 116.25 118.27 1luw h VAL 116 Ca -0.07 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1luw h VAL 116 Cb 1.32 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1luw h VAL 116 CO 0.13 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.66 1luw n GLY 117 N -0.48 -1.04 3.65 2.17 0.00 0.20 -4.75 105.19 104.93 1luw n GLY 117 Ca -0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1luw n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1luw s VAL 118 N -2.98 3.63 -0.49 1.61 1.01 -1.05 -4.94 120.40 117.18 1luw s VAL 118 Ca 0.08 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 1luw s VAL 118 Cb 0.10 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1luw s VAL 118 CO 0.29 -0.14 0.75 -1.10 0.00 0.00 0.00 175.10 174.90 1luw s GLN 119 N 4.31 3.28 0.47 2.72 -0.21 -1.26 -4.84 119.66 124.12 1luw s GLN 119 Ca 0.73 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.69 1luw s GLN 119 Cb -0.30 -4.01 0.00 0.00 1.00 0.00 0.00 33.01 29.70 1luw s GLN 119 CO 0.29 -1.21 0.00 0.41 -2.12 0.00 0.00 175.29 172.66 1luw n GLY 120 N 5.08 0.23 3.83 3.09 0.00 -1.26 -4.95 105.19 111.22 1luw n GLY 120 Ca -0.01 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1luw n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1luw s SER 121 N -4.00 6.93 0.00 1.61 0.01 -1.26 -4.84 113.70 112.15 1luw s SER 121 Ca 0.00 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1luw s SER 121 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1luw s SER 121 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1luw n GLY 122 N 0.78 -1.17 3.09 3.44 0.00 -1.26 -0.43 105.19 109.65 1luw n GLY 122 Ca -0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1luw n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1luw s TRP 123 N -3.00 0.63 -0.11 1.61 0.52 -0.41 -1.24 118.94 116.94 1luw s TRP 123 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 56.10 55.31 1luw s TRP 123 Cb 0.00 -0.40 -0.03 0.00 -1.15 0.00 0.00 33.47 31.89 1luw s TRP 123 CO 0.00 -0.20 -0.07 0.20 0.02 0.00 0.00 176.95 176.89 1luw s GLY 124 N -2.41 1.66 -0.00 0.98 0.00 -0.09 -1.44 107.32 106.02 1luw s GLY 124 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1luw s GLY 124 CO -0.04 -0.33 -0.12 -0.98 0.00 0.00 0.00 173.10 171.62 1luw s TRP 125 N -0.10 1.08 -0.28 1.90 0.52 0.30 -0.29 118.94 122.08 1luw s TRP 125 Ca 0.01 -0.22 -0.08 0.00 0.02 0.00 0.00 56.10 55.83 1luw s TRP 125 Cb -0.13 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 1luw s TRP 125 CO 0.03 -0.01 0.10 -1.17 0.02 0.00 0.00 176.95 175.91 1luw s LEU 126 N -0.36 3.72 0.38 2.99 2.96 -0.50 -0.86 118.68 127.01 1luw s LEU 126 Ca 0.04 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1luw s LEU 126 Cb -0.05 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1luw s LEU 126 CO -0.00 -0.12 0.10 -0.83 -1.32 0.00 0.00 176.35 174.18 1luw s GLY 127 N 1.59 2.42 -0.15 7.98 0.00 0.23 -1.61 107.32 117.77 1luw s GLY 127 Ca 0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 1luw s GLY 127 CO 0.04 -1.82 -0.12 -0.12 0.00 0.00 0.00 173.10 171.08 1luw s PHE 128 N -3.26 2.84 -0.55 1.90 5.36 0.02 -0.29 117.98 123.99 1luw s PHE 128 Ca 0.28 -0.77 -0.19 0.00 -0.96 0.00 0.00 56.93 55.28 1luw s PHE 128 Cb 0.05 -1.90 0.08 0.00 -0.34 0.00 0.00 43.02 40.90 1luw s PHE 128 CO 0.14 -0.32 0.69 1.21 -1.46 0.00 0.00 175.22 175.49 1luw s ASN 129 N 0.63 6.21 0.41 6.13 3.84 -0.15 -1.46 114.94 130.55 1luw s ASN 129 Ca -0.07 -1.11 0.08 0.00 0.21 0.00 0.00 52.86 51.97 1luw s ASN 129 Cb -0.15 -2.31 0.85 0.00 -0.55 0.00 0.00 41.25 39.09 1luw s ASN 129 CO 0.03 -1.04 2.03 0.11 -2.79 0.00 0.00 177.10 175.44 1luw h LYS 130 N 9.13 0.46 0.00 0.43 1.57 -1.88 -0.20 116.57 126.08 1luw h LYS 130 Ca -0.28 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1luw h LYS 130 Cb 1.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1luw h LYS 130 CO 1.04 0.35 -0.22 0.93 -0.57 0.00 0.00 179.45 180.98 1luw h GLU 131 N 0.47 0.00 0.00 3.15 3.07 -1.95 -3.26 114.58 116.07 1luw h GLU 131 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1luw h GLU 131 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1luw h GLU 131 CO -0.02 0.22 -1.09 0.54 -1.40 0.00 0.00 179.01 177.27 1luw n ARG 132 N -3.16 0.06 -1.14 2.33 1.74 -1.00 -4.97 116.66 110.51 1luw n ARG 132 Ca 0.03 -0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.04 1luw n ARG 132 Cb 0.62 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1luw n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1luw n GLY 133 N 1.48 0.62 3.39 -0.13 0.00 -0.12 -4.97 105.19 105.46 1luw n GLY 133 Ca 0.03 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1luw n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1luw s HIS 134 N -1.75 1.69 0.85 1.61 4.02 -1.20 -5.00 115.29 115.52 1luw s HIS 134 Ca 0.00 -1.23 -0.13 0.00 1.02 0.00 0.00 55.06 54.73 1luw s HIS 134 Cb 0.00 -1.01 0.11 0.00 -1.02 0.00 0.00 32.58 30.66 1luw s HIS 134 CO 0.00 -0.33 1.18 -0.51 1.02 0.00 0.00 174.74 176.11 1luw s LEU 135 N -3.43 2.39 -0.22 0.89 1.43 -1.26 -0.98 118.68 117.50 1luw s LEU 135 Ca 0.34 0.77 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 1luw s LEU 135 Cb 0.06 -3.16 0.11 0.00 0.03 0.00 0.00 46.19 43.22 1luw s LEU 135 CO 0.16 -2.17 0.92 -1.58 0.23 0.00 0.00 176.35 173.91 1luw s GLN 136 N -5.54 0.66 -0.13 1.70 0.74 0.60 -4.70 119.66 112.99 1luw s GLN 136 Ca 0.64 0.51 -0.03 0.00 0.05 0.00 0.00 55.36 56.52 1luw s GLN 136 Cb -0.11 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 1luw s GLN 136 CO 0.50 -0.13 -0.02 0.42 -0.55 0.00 0.00 175.29 175.51 1luw s ILE 137 N -0.28 4.07 0.10 -2.34 1.01 -1.26 0.75 121.20 123.26 1luw s ILE 137 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1luw s ILE 137 Cb -0.03 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1luw s ILE 137 CO -0.01 0.53 0.12 0.00 0.00 0.00 0.00 174.94 175.58 1luw s ALA 138 N -0.06 0.29 0.02 9.38 0.00 -0.04 -4.99 121.76 126.36 1luw s ALA 138 Ca 0.02 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1luw s ALA 138 Cb -0.13 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1luw s ALA 138 CO 0.02 -0.50 -0.20 0.00 0.00 0.00 0.00 175.76 175.09 1luw s ALA 139 N -3.94 1.69 -0.03 0.00 0.00 -1.26 0.11 121.76 118.32 1luw s ALA 139 Ca 0.13 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1luw s ALA 139 Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1luw s ALA 139 CO -0.05 0.39 -0.18 0.00 0.00 0.00 0.00 175.76 175.92 1luw s PRO 141 N -0.16 3.49 1.68 0.00 0.04 -1.26 -1.29 135.00 137.50 1luw s PRO 141 Ca 0.01 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1luw s PRO 141 Cb -0.10 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1luw s PRO 141 CO 0.01 -0.68 0.00 0.09 0.04 0.00 0.00 177.00 176.46 1luw n ASN 142 N -1.61 0.00 -0.66 6.66 5.03 0.42 -1.13 115.26 123.97 1luw n ASN 142 Ca 0.09 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.60 1luw n ASN 142 Cb 0.53 0.00 0.17 0.00 -1.02 0.00 0.00 39.78 39.46 1luw n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1luw n GLN 143 N 11.60 2.88 -1.63 3.52 1.13 -1.26 -4.02 117.38 129.61 1luw n GLN 143 Ca 0.00 -2.21 -0.47 0.00 -1.94 0.00 0.00 57.00 52.38 1luw n GLN 143 Cb 0.00 -1.39 -0.05 0.00 0.11 0.00 0.00 30.24 28.91 1luw n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1luw n ASP 144 N 0.22 3.26 -4.77 1.08 10.43 -0.29 -3.82 116.55 122.66 1luw n ASP 144 Ca 0.13 0.75 -0.36 0.00 2.57 0.00 0.00 54.79 57.89 1luw n ASP 144 Cb 0.52 -1.39 0.01 0.00 1.84 0.00 0.00 41.12 42.10 1luw n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1luw s PRO 145 N 4.84 3.38 0.07 -0.24 0.04 -1.26 -4.68 135.00 137.15 1luw s PRO 145 Ca 0.97 1.71 -0.35 0.00 0.04 0.00 0.00 61.00 63.36 1luw s PRO 145 Cb -0.64 -2.10 -0.19 0.00 0.04 0.00 0.00 34.50 31.61 1luw s PRO 145 CO 0.48 -0.85 1.59 1.25 0.04 0.00 0.00 177.00 179.52 1luw h LEU 146 N 1.36 -1.04 -0.43 -3.56 5.85 -1.90 -2.82 115.31 112.78 1luw h LEU 146 Ca -0.50 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1luw h LEU 146 Cb 1.27 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 1luw h LEU 146 CO 0.57 -0.69 0.01 -0.61 -0.34 0.00 0.00 178.44 177.38 1luw h GLN 147 N -1.12 0.75 0.00 1.25 4.15 -1.84 -0.90 115.11 117.40 1luw h GLN 147 Ca -0.11 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.05 1luw h GLN 147 Cb 0.88 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1luw h GLN 147 CO 0.15 0.82 -0.15 0.78 -1.93 0.00 0.00 178.83 178.49 1luw h GLY 148 N 0.59 0.00 0.00 2.39 0.00 -1.86 0.01 103.07 104.20 1luw h GLY 148 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1luw h GLY 148 CO 0.02 0.00 -1.13 -1.30 0.00 0.00 0.00 176.54 174.13 1luw n THR 149 N -3.78 0.00 0.00 4.70 -2.24 -1.06 -4.75 114.28 107.15 1luw n THR 149 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1luw n THR 149 Cb 0.26 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1luw n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1luw n THR 150 N -1.65 0.00 0.00 4.28 -2.24 -0.35 -5.03 114.28 109.30 1luw n THR 150 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1luw n THR 150 Cb 0.24 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1luw n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1luw n GLY 151 N 1.54 3.09 3.74 3.38 0.00 -0.01 -5.00 105.19 111.93 1luw n GLY 151 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1luw n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1luw s LEU 152 N 0.00 3.57 -0.24 0.99 1.43 -1.26 -4.83 118.68 118.34 1luw s LEU 152 Ca 0.00 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.41 1luw s LEU 152 Cb 0.00 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 1luw s LEU 152 CO 0.00 -1.86 0.41 -0.63 0.23 0.00 0.00 176.35 174.50 1luw s ILE 153 N -1.60 5.16 0.18 -0.59 -1.09 -0.53 -2.85 121.20 119.88 1luw s ILE 153 Ca 0.79 0.68 -0.31 0.00 -2.23 0.00 0.00 60.65 59.57 1luw s ILE 153 Cb -0.33 -3.73 -0.10 0.00 -1.58 0.00 0.00 42.46 36.72 1luw s ILE 153 CO 0.38 0.18 1.50 -2.16 -1.23 0.00 0.00 174.94 173.61 1luw s PRO 154 N 1.82 4.25 -0.02 2.79 0.04 -1.26 -0.80 135.00 141.82 1luw s PRO 154 Ca 0.18 2.29 -0.03 0.00 0.04 0.00 0.00 61.00 63.47 1luw s PRO 154 Cb -0.15 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1luw s PRO 154 CO 0.09 -0.53 -0.08 1.28 0.04 0.00 0.00 177.00 177.81 1luw n LEU 155 N 3.55 0.77 -3.95 -3.56 4.77 -0.63 -4.92 117.00 113.03 1luw n LEU 155 Ca 0.12 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 56.02 1luw n LEU 155 Cb 0.40 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1luw n LEU 155 CO 0.61 -0.19 -0.42 -0.22 -1.33 0.00 0.00 177.39 175.83 1luw s LEU 156 N -6.67 1.65 0.03 2.23 0.20 -1.05 -4.55 118.68 110.52 1luw s LEU 156 Ca -0.07 -0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.66 1luw s LEU 156 Cb 0.02 -0.47 -0.02 0.00 -0.43 0.00 0.00 46.19 45.29 1luw s LEU 156 CO 0.10 0.02 -0.20 -0.83 -0.29 0.00 0.00 176.35 175.15 1luw s GLY 157 N 0.42 1.06 -0.29 7.98 0.00 -1.26 -1.41 107.32 113.82 1luw s GLY 157 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1luw s GLY 157 CO 0.00 -0.91 0.05 -0.42 0.00 0.00 0.00 173.10 171.82 1luw s ILE 158 N -0.74 1.38 -0.23 0.90 1.01 0.60 -4.88 121.20 119.24 1luw s ILE 158 Ca 0.07 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 58.86 1luw s ILE 158 Cb -0.08 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1luw s ILE 158 CO 0.01 -0.50 1.76 -0.62 0.00 0.00 0.00 174.94 175.59 1luw s ASP 159 N 1.39 6.15 -0.20 3.58 3.68 -1.26 -0.91 116.67 129.10 1luw s ASP 159 Ca 0.06 1.65 0.16 0.00 2.13 0.00 0.00 52.55 56.54 1luw s ASP 159 Cb -0.18 -2.53 0.62 0.00 -1.45 0.00 0.00 42.92 39.39 1luw s ASP 159 CO -0.15 -1.44 1.53 1.33 0.13 0.00 0.00 175.17 176.57 1luw n VAL 160 N 6.76 2.46 -2.11 1.11 0.24 -0.37 -4.83 118.33 121.60 1luw n VAL 160 Ca 0.21 -1.76 -0.36 0.00 -2.04 0.00 0.00 64.34 60.40 1luw n VAL 160 Cb 0.45 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.57 1luw n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1luw s TRP 161 N -2.83 2.50 0.52 6.34 0.52 -1.19 -4.50 118.94 120.30 1luw s TRP 161 Ca 0.46 1.52 0.17 0.00 0.02 0.00 0.00 56.10 58.28 1luw s TRP 161 Cb 0.37 -3.42 1.29 0.00 -1.15 0.00 0.00 33.47 30.56 1luw s TRP 161 CO 0.11 -1.98 2.14 0.93 0.02 0.00 0.00 176.95 178.17 1luw h GLU 162 N 1.06 0.00 0.00 4.98 5.08 -1.94 -1.11 114.58 122.66 1luw h GLU 162 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1luw h GLU 162 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1luw h GLU 162 CO 0.56 0.02 0.00 -2.39 -1.00 0.00 0.00 179.01 176.20 1luw n HIS 163 N -4.45 0.77 1.42 4.33 1.44 -1.26 -0.70 115.22 116.76 1luw n HIS 163 Ca -0.03 0.35 0.15 0.00 -2.01 0.00 0.00 57.72 56.17 1luw n HIS 163 Cb 0.11 -1.06 0.71 0.00 0.12 0.00 0.00 29.99 29.87 1luw n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1luw n ALA 164 N -1.77 2.59 -0.01 1.59 0.00 -0.42 -4.57 120.51 117.91 1luw n ALA 164 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1luw n ALA 164 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1luw n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1luw n TYR 165 N -1.19 0.00 -0.30 0.00 4.11 -0.83 -4.99 117.16 113.96 1luw n TYR 165 Ca 0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.15 1luw n TYR 165 Cb 0.25 0.00 0.27 0.00 -0.00 0.00 0.00 39.34 39.86 1luw n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1luw h TYR 166 N 0.00 0.64 -0.40 -3.48 3.20 -1.08 0.58 116.97 116.42 1luw h TYR 166 Ca 0.00 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1luw h TYR 166 Cb 0.00 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1luw h TYR 166 CO 0.00 0.01 0.27 -0.07 -1.64 0.00 0.00 178.16 176.73 1luw h LEU 167 N 0.44 0.31 0.00 2.82 3.38 -1.87 0.12 115.31 120.51 1luw h LEU 167 Ca 0.52 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.21 1luw h LEU 167 Cb 0.91 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1luw h LEU 167 CO -0.48 0.21 -1.87 1.67 0.09 0.00 0.00 178.44 178.06 1luw n GLN 168 N -4.48 0.54 0.00 1.13 7.27 -0.03 -4.64 117.38 117.17 1luw n GLN 168 Ca 0.05 0.23 0.13 0.00 0.07 0.00 0.00 57.00 57.47 1luw n GLN 168 Cb 0.20 -1.42 0.25 0.00 2.41 0.00 0.00 30.24 31.68 1luw n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1luw n TYR 169 N -4.28 0.00 -3.36 3.69 4.02 0.18 -5.04 117.16 112.36 1luw n TYR 169 Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 1luw n TYR 169 Cb 0.72 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.02 1luw n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1luw n LYS 170 N 0.34 0.00 0.22 -0.72 4.01 0.40 -2.42 118.16 120.00 1luw n LYS 170 Ca 0.14 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 58.02 1luw n LYS 170 Cb 0.46 0.00 0.51 0.00 -0.51 0.00 0.00 35.03 35.49 1luw n LYS 170 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1luw h ASN 171 N 6.73 0.00 -0.33 4.39 7.08 -1.93 -3.38 115.58 128.14 1luw h ASN 171 Ca 0.00 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.78 1luw h ASN 171 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1luw h ASN 171 CO 0.00 0.25 1.48 0.52 -2.08 0.00 0.00 177.43 177.60 1luw n VAL 172 N -3.76 1.93 -0.14 6.14 0.31 -1.02 -4.78 118.33 117.01 1luw n VAL 172 Ca -0.01 -1.92 0.05 0.00 -0.01 0.00 0.00 64.34 62.45 1luw n VAL 172 Cb 0.35 -2.22 0.36 0.00 -0.91 0.00 0.00 33.84 31.42 1luw n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1luw h ARG 173 N 9.10 0.72 -0.73 5.55 2.43 -1.84 -2.58 114.38 127.02 1luw h ARG 173 Ca 0.29 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 1luw h ARG 173 Cb 0.85 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 1luw h ARG 173 CO 1.46 0.47 0.48 -1.35 -1.51 0.00 0.00 179.97 179.53 1luw h PRO 174 N 0.74 0.54 -0.22 0.20 0.11 -1.98 0.44 132.00 131.83 1luw h PRO 174 Ca 0.27 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1luw h PRO 174 Cb 0.14 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1luw h PRO 174 CO -0.08 0.36 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.28 1luw h ASP 175 N 0.56 0.48 -0.06 -2.05 3.45 -1.85 -1.98 116.42 114.97 1luw h ASP 175 Ca 0.35 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 1luw h ASP 175 Cb 0.59 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1luw h ASP 175 CO -0.12 0.80 0.03 0.22 -1.57 0.00 0.00 179.24 178.60 1luw h TYR 176 N 0.40 0.09 -0.21 4.55 -0.00 -0.95 -1.92 116.97 118.92 1luw h TYR 176 Ca 0.04 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.73 58.65 1luw h TYR 176 Cb 0.80 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.49 1luw h TYR 176 CO 0.03 0.19 -0.36 -0.07 -0.00 0.00 0.00 178.16 177.94 1luw h LEU 177 N -0.05 0.47 -0.90 2.82 4.07 -1.28 -1.15 115.31 119.30 1luw h LEU 177 Ca 0.02 -0.19 -0.08 0.00 0.08 0.00 0.00 57.88 57.71 1luw h LEU 177 Cb 0.14 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1luw h LEU 177 CO -0.00 0.80 -0.07 0.50 -1.08 0.00 0.00 178.44 178.59 1luw h LYS 178 N 0.38 0.73 -0.43 1.13 3.64 -1.31 -2.96 116.57 117.76 1luw h LYS 178 Ca 0.04 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1luw h LYS 178 Cb 0.82 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1luw h LYS 178 CO 0.07 0.79 -0.21 0.00 -2.27 0.00 0.00 179.45 177.83 1luw h ALA 179 N 1.25 0.60 0.00 5.00 0.00 -1.02 -3.25 119.26 121.83 1luw h ALA 179 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1luw h ALA 179 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1luw h ALA 179 CO 0.03 0.57 0.00 0.97 0.00 0.00 0.00 179.25 180.82 1luw h ILE 180 N 0.72 0.00 0.00 0.00 2.10 -1.04 -2.65 117.51 116.65 1luw h ILE 180 Ca 0.09 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.78 1luw h ILE 180 Cb 0.78 1.06 -0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1luw h ILE 180 CO 0.06 0.00 -0.11 -0.50 -1.08 0.00 0.00 178.15 176.52 1luw h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.59 -2.29 115.95 118.32 1luw h TRP 181 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1luw h TRP 181 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1luw h TRP 181 CO 0.00 0.11 0.00 0.09 -3.56 0.00 0.00 178.44 175.08 1luw n ASN 182 N -3.90 0.05 -0.16 -3.49 3.02 -1.00 -3.40 115.26 106.38 1luw n ASN 182 Ca -0.02 0.51 0.05 0.00 -0.03 0.00 0.00 54.58 55.09 1luw n ASN 182 Cb 0.21 -0.52 0.08 0.00 -0.61 0.00 0.00 39.78 38.93 1luw n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1luw n VAL 183 N -1.55 1.17 -2.20 2.41 0.24 -0.86 -2.93 118.33 114.59 1luw n VAL 183 Ca 0.04 -1.37 -0.41 0.00 -2.04 0.00 0.00 64.34 60.56 1luw n VAL 183 Cb 0.21 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 1luw n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1luw s ILE 184 N -1.70 3.03 -1.04 1.34 -1.09 -1.21 -0.75 121.20 119.78 1luw s ILE 184 Ca 0.17 0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 59.42 1luw s ILE 184 Cb 0.15 -3.60 0.24 0.00 -1.58 0.00 0.00 42.46 37.67 1luw s ILE 184 CO 0.02 0.18 1.07 0.21 -1.23 0.00 0.00 174.94 175.19 1luw s ASN 185 N -0.14 7.10 0.59 3.58 3.84 0.28 -0.93 114.94 129.26 1luw s ASN 185 Ca 0.52 -3.19 0.30 0.00 0.21 0.00 0.00 52.86 50.70 1luw s ASN 185 Cb -0.37 -2.25 1.77 0.00 -0.55 0.00 0.00 41.25 39.85 1luw s ASN 185 CO 0.44 -0.47 2.19 -0.50 -2.79 0.00 0.00 177.10 175.97 1luw h TRP 186 N 7.15 0.00 -0.81 0.43 4.06 -1.86 -1.06 115.95 123.86 1luw h TRP 186 Ca 0.18 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 1luw h TRP 186 Cb 0.93 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.05 1luw h TRP 186 CO 0.90 0.00 0.34 1.49 -3.56 0.00 0.00 178.44 177.61 1luw h GLU 187 N 0.00 1.19 0.12 0.49 4.81 -1.96 0.18 114.58 119.42 1luw h GLU 187 Ca 0.04 -0.21 -0.28 0.00 -0.13 0.00 0.00 59.36 58.78 1luw h GLU 187 Cb 0.21 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.41 1luw h GLU 187 CO -0.00 0.95 -1.23 -0.97 -0.73 0.00 0.00 179.01 177.03 1luw h ASN 188 N 1.17 0.62 -0.53 1.04 -0.73 -1.50 -2.60 115.58 113.04 1luw h ASN 188 Ca 0.27 -0.61 -0.05 0.00 1.87 0.00 0.00 56.30 57.79 1luw h ASN 188 Cb 0.19 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 1luw h ASN 188 CO -0.03 1.45 0.15 0.58 -0.37 0.00 0.00 177.43 179.21 1luw h VAL 189 N 0.16 1.24 -0.12 2.57 2.07 -1.21 -1.41 116.25 119.55 1luw h VAL 189 Ca -0.16 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1luw h VAL 189 Cb 1.92 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1luw h VAL 189 CO 0.22 0.30 0.04 0.74 0.02 0.00 0.00 177.57 178.89 1luw h THR 190 N 0.73 0.97 -0.67 2.57 2.02 -0.69 0.04 112.91 117.88 1luw h THR 190 Ca 0.17 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.45 1luw h THR 190 Cb 0.31 0.87 -0.10 0.00 -1.74 0.00 0.00 68.15 67.48 1luw h THR 190 CO -0.00 0.02 0.13 -0.33 0.37 0.00 0.00 175.52 175.70 1luw h GLU 191 N 0.10 0.23 -0.33 6.66 5.08 -1.10 0.31 114.58 125.53 1luw h GLU 191 Ca 0.05 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1luw h GLU 191 Cb 0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1luw h GLU 191 CO -0.05 0.15 -0.09 0.00 -1.00 0.00 0.00 179.01 178.02 1luw h ARG 192 N 0.24 0.56 0.23 2.33 3.08 -0.49 -0.37 114.38 119.95 1luw h ARG 192 Ca 0.37 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1luw h ARG 192 Cb 0.60 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1luw h ARG 192 CO -0.48 0.65 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.03 1luw h TYR 193 N 0.52 -0.28 0.00 3.04 5.03 0.12 -2.88 116.97 122.51 1luw h TYR 193 Ca 0.10 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.40 1luw h TYR 193 Cb 0.47 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.84 1luw h TYR 193 CO 0.02 0.10 -0.00 0.52 -1.32 0.00 0.00 178.16 177.47 1luw h MET 194 N -0.79 0.00 -0.01 1.82 2.86 -0.50 0.52 114.93 118.82 1luw h MET 194 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1luw h MET 194 Cb 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1luw h MET 194 CO 0.05 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.02 1luw h ALA 195 N 2.00 0.01 -0.00 6.32 0.00 -0.92 -3.21 119.26 123.45 1luw h ALA 195 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1luw h ALA 195 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1luw h ALA 195 CO 0.00 -0.34 -0.47 0.00 0.00 0.00 0.00 179.25 178.44 1luw n LYS 197 N -1.10 0.74 0.00 0.00 4.81 0.13 -5.02 118.16 117.72 1luw n LYS 197 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1luw n LYS 197 Cb 0.35 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1luw n LYS 197 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74