#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6nul s LYS 2 N 0.00 0.57 -0.11 0.03 1.02 -1.26 -0.93 119.74 119.06 6nul s LYS 2 Ca 0.00 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.35 6nul s LYS 2 Cb 0.00 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 36.90 6nul s LYS 2 CO 0.00 0.10 -0.11 0.42 -0.92 0.00 0.00 175.35 174.84 6nul s ILE 3 N -1.03 1.22 -0.14 2.17 1.01 -0.18 -3.62 121.20 120.64 6nul s ILE 3 Ca -0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 6nul s ILE 3 Cb -0.08 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 6nul s ILE 3 CO 0.01 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.52 6nul s VAL 4 N 1.33 3.08 0.12 2.92 1.01 0.05 0.55 120.40 129.48 6nul s VAL 4 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 6nul s VAL 4 Cb -0.14 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 6nul s VAL 4 CO -0.05 0.52 0.24 -0.72 0.00 0.00 0.00 175.10 175.08 6nul s TYR 5 N 0.43 0.25 -0.05 5.22 1.13 -0.62 -0.62 117.35 123.09 6nul s TYR 5 Ca -0.09 -0.64 0.04 0.00 -1.41 0.00 0.00 57.07 54.96 6nul s TYR 5 Cb -0.16 -0.05 -0.00 0.00 -1.10 0.00 0.00 41.96 40.65 6nul s TYR 5 CO 0.05 -0.62 -0.18 -0.46 -2.51 0.00 0.00 175.55 171.82 6nul s TRP 6 N -3.90 1.82 -0.07 -3.49 -0.00 -0.31 -0.19 118.94 112.79 6nul s TRP 6 Ca 0.10 -0.55 -0.03 0.00 -0.00 0.00 0.00 56.10 55.62 6nul s TRP 6 Cb 0.04 -1.23 0.04 0.00 -0.00 0.00 0.00 33.47 32.32 6nul s TRP 6 CO -0.06 -0.20 0.16 0.45 -0.00 0.00 0.00 176.95 177.30 6nul s SER 7 N 0.08 -0.06 0.04 5.86 0.15 -1.26 -3.86 113.70 114.65 6nul s SER 7 Ca -0.06 0.33 0.17 0.00 0.70 0.00 0.00 55.95 57.09 6nul s SER 7 Cb -0.12 0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 64.25 6nul s SER 7 CO 0.03 -0.16 0.75 0.61 1.20 0.00 0.00 173.24 175.67 6nul n GLY 8 N 4.30 -1.17 0.00 9.45 0.00 -1.26 -4.48 105.19 112.03 6nul n GLY 8 Ca -0.25 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.62 6nul n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 6nul n THR 9 N -2.85 0.00 0.00 2.61 -2.24 -1.26 -5.03 114.28 105.51 6nul n THR 9 Ca -0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 6nul n THR 9 Cb 0.85 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 6nul n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 6nul n GLY 10 N 0.19 0.57 0.07 3.38 0.00 -1.26 -5.00 105.19 103.14 6nul n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 6nul n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 6nul h ASN 11 N 0.00 0.07 0.44 1.61 -0.26 -1.94 -0.83 115.58 114.67 6nul h ASN 11 Ca 0.00 -0.39 -0.11 0.00 -0.56 0.00 0.00 56.30 55.24 6nul h ASN 11 Cb 0.00 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 6nul h ASN 11 CO 0.00 0.45 -0.48 0.74 -1.06 0.00 0.00 177.43 177.08 6nul h THR 12 N -0.31 1.35 -0.53 2.81 2.02 -1.89 -2.08 112.91 114.28 6nul h THR 12 Ca 0.01 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 6nul h THR 12 Cb 0.42 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 6nul h THR 12 CO 0.00 0.48 0.21 -0.08 0.37 0.00 0.00 175.52 176.50 6nul h GLU 13 N 0.04 0.79 -0.61 6.66 4.81 -1.82 0.39 114.58 124.84 6nul h GLU 13 Ca -0.00 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 6nul h GLU 13 Cb 0.87 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 6nul h GLU 13 CO 0.07 0.70 0.32 -0.22 -0.73 0.00 0.00 179.01 179.14 6nul h LYS 14 N 0.72 0.87 -0.46 1.92 1.63 -0.87 -1.19 116.57 119.18 6nul h LYS 14 Ca 0.18 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 6nul h LYS 14 Cb 0.20 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 6nul h LYS 14 CO -0.01 0.68 0.24 0.52 -3.45 0.00 0.00 179.45 177.42 6nul h MET 15 N 0.84 0.46 -0.88 1.90 2.86 -0.91 -1.32 114.93 117.88 6nul h MET 15 Ca 0.21 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 6nul h MET 15 Cb 0.08 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 6nul h MET 15 CO -0.03 0.31 0.57 0.00 1.06 0.00 0.00 176.91 178.81 6nul h ALA 16 N 1.24 1.18 -0.47 6.32 0.00 -0.40 0.17 119.26 127.32 6nul h ALA 16 Ca 0.20 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 6nul h ALA 16 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 6nul h ALA 16 CO -0.13 0.39 -0.19 0.93 0.00 0.00 0.00 179.25 180.24 6nul h GLU 17 N 1.08 0.93 -0.37 0.00 5.08 -0.65 -1.42 114.58 119.22 6nul h GLU 17 Ca 0.36 -0.38 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 6nul h GLU 17 Cb 0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 6nul h GLU 17 CO -0.14 1.04 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.43 6nul h LEU 18 N 0.81 1.01 -0.71 1.33 3.38 -0.75 -0.21 115.31 120.16 6nul h LEU 18 Ca 0.11 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 6nul h LEU 18 Cb 0.75 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 6nul h LEU 18 CO 0.06 1.28 0.40 0.40 0.09 0.00 0.00 178.44 180.66 6nul h ILE 19 N 0.76 1.22 -0.33 1.22 2.04 -0.88 -1.18 117.51 120.34 6nul h ILE 19 Ca 0.05 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 6nul h ILE 19 Cb 1.01 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 6nul h ILE 19 CO 0.10 0.24 0.20 0.00 0.00 0.00 0.00 178.15 178.69 6nul h ALA 20 N 1.20 0.42 -0.74 1.87 0.00 -1.06 -1.64 119.26 119.31 6nul h ALA 20 Ca 0.25 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.23 6nul h ALA 20 Cb 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 6nul h ALA 20 CO -0.04 -0.08 0.34 -0.22 0.00 0.00 0.00 179.25 179.25 6nul h LYS 21 N 0.43 0.52 -0.55 0.00 3.64 -0.48 0.21 116.57 120.35 6nul h LYS 21 Ca 0.12 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 6nul h LYS 21 Cb 0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 6nul h LYS 21 CO -0.02 0.34 0.19 0.78 -2.27 0.00 0.00 179.45 178.47 6nul h GLY 22 N 0.54 0.90 1.00 5.01 0.00 -0.51 0.11 103.07 110.10 6nul h GLY 22 Ca 0.39 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 6nul h GLY 22 CO -0.34 0.49 0.24 -2.22 0.00 0.00 0.00 176.54 174.71 6nul h ILE 23 N 0.75 1.23 -0.38 2.60 2.04 -0.59 -1.76 117.51 121.40 6nul h ILE 23 Ca 0.18 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 6nul h ILE 23 Cb 0.25 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 6nul h ILE 23 CO -0.01 0.28 0.05 0.40 0.00 0.00 0.00 178.15 178.87 6nul h ILE 24 N 0.84 1.24 -0.18 -0.67 2.04 -0.69 -2.19 117.51 117.91 6nul h ILE 24 Ca 0.20 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.19 6nul h ILE 24 Cb 0.21 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 6nul h ILE 24 CO -0.02 0.30 0.12 -0.33 0.00 0.00 0.00 178.15 178.22 6nul h GLU 25 N 0.48 0.15 0.00 2.37 5.08 -0.58 0.25 114.58 122.33 6nul h GLU 25 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 6nul h GLU 25 Cb 0.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 6nul h GLU 25 CO 0.01 0.10 0.00 0.43 -1.00 0.00 0.00 179.01 178.55 6nul n SER 26 N -4.51 0.00 0.00 1.42 7.64 -0.68 -4.88 113.62 112.62 6nul n SER 26 Ca 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.81 6nul n SER 26 Cb 0.14 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 6nul n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 6nul n GLY 27 N 0.58 0.91 3.63 0.23 0.00 0.88 -5.07 105.19 106.35 6nul n GLY 27 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 6nul n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6nul s LYS 28 N -0.99 2.25 0.23 1.61 1.02 -0.97 -5.01 119.74 117.88 6nul s LYS 28 Ca 0.00 -1.33 -0.14 0.00 0.02 0.00 0.00 55.97 54.53 6nul s LYS 28 Cb 0.00 -2.19 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 6nul s LYS 28 CO 0.00 0.40 0.62 0.34 -0.92 0.00 0.00 175.35 175.79 6nul s ASP 29 N -3.33 6.79 -0.22 2.83 2.15 -1.26 -3.51 116.67 120.11 6nul s ASP 29 Ca 0.29 1.13 -0.22 0.00 0.43 0.00 0.00 52.55 54.18 6nul s ASP 29 Cb -0.07 -2.31 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 6nul s ASP 29 CO 0.18 -0.04 0.63 0.54 -0.17 0.00 0.00 175.17 176.32 6nul s VAL 30 N -1.71 0.00 -0.07 1.11 0.11 -1.26 -0.27 120.40 118.31 6nul s VAL 30 Ca 0.45 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 6nul s VAL 30 Cb -0.13 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 6nul s VAL 30 CO 0.20 -0.01 -0.14 0.20 -3.33 0.00 0.00 175.10 172.02 6nul s ASN 31 N 0.19 3.99 -0.18 3.54 -0.87 -0.11 -4.91 114.94 116.60 6nul s ASN 31 Ca -0.01 -0.24 -0.10 0.00 -1.57 0.00 0.00 52.86 50.93 6nul s ASN 31 Cb -0.04 -1.06 -0.05 0.00 -0.02 0.00 0.00 41.25 40.08 6nul s ASN 31 CO 0.02 0.29 0.16 0.42 -2.57 0.00 0.00 177.10 175.42 6nul s THR 32 N -0.41 5.40 -0.10 1.60 -4.23 -1.26 -1.01 115.64 115.64 6nul s THR 32 Ca 0.05 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 6nul s THR 32 Cb -0.12 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 70.25 6nul s THR 32 CO 0.02 0.46 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.82 6nul s ILE 33 N 0.13 1.19 0.33 2.99 1.01 0.19 -4.94 121.20 122.11 6nul s ILE 33 Ca 0.11 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 6nul s ILE 33 Cb -0.12 -1.13 -0.10 0.00 0.01 0.00 0.00 42.46 41.13 6nul s ILE 33 CO 0.00 0.38 1.19 0.21 0.00 0.00 0.00 174.94 176.72 6nul s ASN 34 N 1.15 6.88 0.52 3.58 3.84 -1.26 -1.59 114.94 128.06 6nul s ASN 34 Ca -0.05 2.44 0.25 0.00 0.21 0.00 0.00 52.86 55.71 6nul s ASN 34 Cb -0.14 -2.63 1.36 0.00 -0.55 0.00 0.00 41.25 39.28 6nul s ASN 34 CO -0.02 -0.43 1.97 1.62 -2.79 0.00 0.00 177.10 177.44 6nul h VAL 35 N 2.85 0.72 0.00 -5.21 3.04 -0.93 0.20 116.25 116.91 6nul h VAL 35 Ca -0.48 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.19 6nul h VAL 35 Cb 1.22 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 6nul h VAL 35 CO 0.65 0.01 -0.01 0.77 -1.01 0.00 0.00 177.57 177.99 6nul h SER 36 N 0.06 0.00 -0.21 3.17 4.64 -1.90 -2.90 113.55 116.41 6nul h SER 36 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 6nul h SER 36 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 6nul h SER 36 CO -0.02 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.42 6nul n ASP 37 N -3.11 2.64 -4.77 4.97 8.00 0.05 -5.04 116.55 119.28 6nul n ASP 37 Ca -0.01 -1.78 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 6nul n ASP 37 Cb 0.22 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 6nul n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 6nul s VAL 38 N -1.10 2.30 -0.41 2.53 0.11 -1.10 -4.95 120.40 117.78 6nul s VAL 38 Ca 0.22 0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 59.47 6nul s VAL 38 Cb 0.13 -3.19 0.07 0.00 -1.53 0.00 0.00 36.38 31.86 6nul s VAL 38 CO 0.19 0.07 0.26 0.21 -3.33 0.00 0.00 175.10 172.50 6nul s ASN 39 N -0.17 5.71 0.14 3.54 3.84 -1.26 -4.99 114.94 121.76 6nul s ASN 39 Ca 0.53 -1.37 -0.18 0.00 0.21 0.00 0.00 52.86 52.05 6nul s ASN 39 Cb -0.44 -2.02 0.02 0.00 -0.55 0.00 0.00 41.25 38.26 6nul s ASN 39 CO 0.57 -0.51 1.73 0.40 -2.79 0.00 0.00 177.10 176.50 6nul h ILE 40 N 6.00 0.85 -0.82 -5.21 1.08 -1.99 -1.62 117.51 115.80 6nul h ILE 40 Ca -0.24 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 6nul h ILE 40 Cb 1.09 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 6nul h ILE 40 CO 0.75 0.03 0.53 0.44 -0.69 0.00 0.00 178.15 179.21 6nul h ASP 41 N 0.15 0.88 -0.02 1.72 3.32 -1.99 -1.35 116.42 119.12 6nul h ASP 41 Ca 0.13 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 6nul h ASP 41 Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 6nul h ASP 41 CO -0.18 0.61 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.25 6nul h GLU 42 N 1.04 0.52 -0.61 3.56 5.08 -1.96 -2.99 114.58 119.22 6nul h GLU 42 Ca 0.32 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 6nul h GLU 42 Cb -0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 6nul h GLU 42 CO -0.11 0.82 0.07 1.25 -1.00 0.00 0.00 179.01 180.04 6nul h LEU 43 N 0.44 1.00 -0.46 1.33 5.85 -0.59 -2.73 115.31 120.15 6nul h LEU 43 Ca 0.04 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.49 6nul h LEU 43 Cb 0.85 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.61 6nul h LEU 43 CO 0.07 1.03 0.00 0.18 -0.34 0.00 0.00 178.44 179.38 6nul n LEU 44 N -4.25 0.31 0.14 2.25 4.77 -0.58 -1.69 117.00 117.95 6nul n LEU 44 Ca 0.03 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 6nul n LEU 44 Cb 0.30 -0.58 0.28 0.00 -2.33 0.00 0.00 43.42 41.09 6nul n LEU 44 CO 0.43 -0.51 0.75 0.78 -1.33 0.00 0.00 177.39 177.51 6nul h ASN 45 N 0.00 0.00 -3.96 -1.43 2.35 -1.45 -3.46 115.58 107.62 6nul h ASN 45 Ca 0.00 -0.03 -0.51 0.00 -0.55 0.00 0.00 56.30 55.22 6nul h ASN 45 Cb 0.20 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.63 6nul h ASN 45 CO 0.00 0.01 0.50 -1.61 -1.65 0.00 0.00 177.43 174.68 6nul s GLU 46 N -3.16 3.96 0.28 0.81 0.41 -0.68 -4.95 118.70 115.37 6nul s GLU 46 Ca 0.08 1.81 0.12 0.00 -0.41 0.00 0.00 54.97 56.57 6nul s GLU 46 Cb 0.10 -2.58 0.36 0.00 -1.78 0.00 0.00 34.13 30.23 6nul s GLU 46 CO 0.65 -0.39 1.60 -0.44 -0.49 0.00 0.00 175.26 176.18 6nul h ASP 47 N 2.43 0.00 -3.38 -0.19 5.19 -1.89 -3.43 116.42 115.15 6nul h ASP 47 Ca -0.49 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.47 6nul h ASP 47 Cb 1.24 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 40.40 6nul h ASP 47 CO 0.62 0.60 -0.78 -0.63 -3.12 0.00 0.00 179.24 175.92 6nul s ILE 48 N -3.48 0.70 -0.30 0.35 1.01 -1.26 -3.79 121.20 114.44 6nul s ILE 48 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 6nul s ILE 48 Cb 0.12 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 6nul s ILE 48 CO 0.75 0.28 0.39 -0.76 0.00 0.00 0.00 174.94 175.60 6nul s LEU 49 N 1.15 4.18 -0.37 2.97 1.43 -0.59 -4.63 118.68 122.81 6nul s LEU 49 Ca -0.07 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 6nul s LEU 49 Cb -0.14 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.69 6nul s LEU 49 CO -0.01 -0.27 0.19 -0.63 0.23 0.00 0.00 176.35 175.86 6nul s ILE 50 N 2.10 4.26 -0.08 -0.59 1.01 -1.24 -0.71 121.20 125.96 6nul s ILE 50 Ca 0.15 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.79 6nul s ILE 50 Cb -0.16 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 6nul s ILE 50 CO 0.11 -0.27 -0.23 -0.76 0.00 0.00 0.00 174.94 173.79 6nul s LEU 51 N 1.48 2.16 0.01 2.97 1.43 -0.33 -0.77 118.68 125.63 6nul s LEU 51 Ca 0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 6nul s LEU 51 Cb -0.20 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 6nul s LEU 51 CO 0.05 0.20 -0.08 -0.83 0.23 0.00 0.00 176.35 175.92 6nul s GLY 52 N 0.11 0.41 -0.27 -3.19 0.00 0.21 -1.85 107.32 102.73 6nul s GLY 52 Ca -0.11 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 43.95 6nul s GLY 52 CO 0.06 -0.40 0.76 0.00 0.00 0.00 0.00 173.10 173.53 6nul s SER 54 N 0.68 3.83 -0.01 0.00 1.04 -1.25 -4.29 113.70 113.70 6nul s SER 54 Ca -0.02 1.28 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 6nul s SER 54 Cb -0.05 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.06 6nul s SER 54 CO -0.05 -2.39 1.35 0.00 0.98 0.00 0.00 173.24 173.13 6nul s ALA 55 N -3.10 3.56 0.40 5.32 0.00 -0.67 -4.40 121.76 122.87 6nul s ALA 55 Ca 0.63 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.44 6nul s ALA 55 Cb -0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 6nul s ALA 55 CO 0.55 -0.86 0.10 -1.64 0.00 0.00 0.00 175.76 173.91 6nul s MET 56 N 2.31 1.90 2.63 0.00 -1.94 -0.11 -4.89 119.30 119.21 6nul s MET 56 Ca 0.62 -2.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 6nul s MET 56 Cb -0.30 -0.77 0.00 0.00 2.01 0.00 0.00 34.83 35.77 6nul s MET 56 CO 0.25 -0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.27 6nul n GLY 57 N -0.91 2.90 3.07 -0.03 0.00 -1.26 -0.66 105.19 108.30 6nul n GLY 57 Ca -0.07 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 6nul n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 6nul s ASP 58 N -4.00 5.39 -1.28 1.61 2.15 -1.26 -4.74 116.67 114.54 6nul s ASP 58 Ca 0.00 -3.31 -0.02 0.00 0.43 0.00 0.00 52.55 49.65 6nul s ASP 58 Cb 0.00 -1.83 0.01 0.00 -0.30 0.00 0.00 42.92 40.79 6nul s ASP 58 CO 0.00 -0.26 0.91 -0.62 -0.17 0.00 0.00 175.17 175.03 6nul n GLU 59 N 2.85 -6.06 -4.37 4.34 -0.58 -0.79 -5.01 120.64 111.02 6nul n GLU 59 Ca 0.14 0.74 -0.19 0.00 -0.42 0.00 0.00 57.16 57.44 6nul n GLU 59 Cb 0.37 -5.59 -0.10 0.00 -0.57 0.00 0.00 31.44 25.55 6nul n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 6nul s VAL 60 N -3.47 0.76 0.58 2.62 -7.23 0.17 -3.97 120.40 109.86 6nul s VAL 60 Ca 0.11 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.11 6nul s VAL 60 Cb -0.05 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 6nul s VAL 60 CO 0.77 0.00 1.06 -0.76 -0.31 0.00 0.00 175.10 175.86 6nul s LEU 61 N -3.39 3.55 0.22 1.32 1.43 -1.26 -0.93 118.68 119.61 6nul s LEU 61 Ca 0.37 1.86 -0.32 0.00 -1.03 0.00 0.00 54.13 55.00 6nul s LEU 61 Cb 0.08 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.63 6nul s LEU 61 CO 0.15 -1.15 1.52 1.21 0.23 0.00 0.00 176.35 178.31 6nul n GLU 62 N -1.88 2.22 0.09 1.70 0.00 -1.26 -4.76 120.64 116.74 6nul n GLU 62 Ca 0.09 0.79 -0.19 0.00 0.00 0.00 0.00 57.16 57.86 6nul n GLU 62 Cb 0.53 -2.52 -0.15 0.00 0.00 0.00 0.00 31.44 29.30 6nul n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 6nul h GLU 63 N 5.09 0.32 -0.04 5.31 5.08 -1.96 0.94 114.58 129.31 6nul h GLU 63 Ca -0.45 -0.55 -0.16 0.00 -1.00 0.00 0.00 59.36 57.19 6nul h GLU 63 Cb 1.26 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 6nul h GLU 63 CO 0.82 1.22 -0.70 0.66 -1.00 0.00 0.00 179.01 180.01 6nul h SER 64 N 0.09 0.27 0.00 1.42 4.64 -2.01 -3.40 113.55 114.56 6nul h SER 64 Ca -0.23 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 6nul h SER 64 Cb 2.04 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 6nul h SER 64 CO 0.19 0.89 -0.53 -0.62 -0.87 0.00 0.00 176.83 175.89 6nul n GLU 65 N -3.80 0.00 -0.04 4.77 1.02 -1.26 -4.75 120.64 116.58 6nul n GLU 65 Ca -0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 6nul n GLU 65 Cb 0.69 -0.38 -0.06 0.00 -0.02 0.00 0.00 31.44 31.67 6nul n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 6nul h PHE 66 N 0.00 0.25 -0.16 -0.32 3.57 -1.83 -2.86 116.94 115.60 6nul h PHE 66 Ca 0.00 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.52 6nul h PHE 66 Cb 0.53 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 6nul h PHE 66 CO 0.00 0.37 -0.20 1.49 -2.23 0.00 0.00 178.31 177.75 6nul h GLU 67 N 0.05 -0.23 -0.74 1.11 4.57 -1.03 -1.29 114.58 117.02 6nul h GLU 67 Ca 0.05 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.28 6nul h GLU 67 Cb 0.25 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 6nul h GLU 67 CO -0.00 -0.15 0.49 -1.35 -1.18 0.00 0.00 179.01 176.81 6nul h PRO 68 N -0.24 0.86 -0.20 0.92 0.11 -1.76 -0.47 132.00 131.22 6nul h PRO 68 Ca 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 6nul h PRO 68 Cb 0.40 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 6nul h PRO 68 CO -0.30 0.57 0.10 0.35 -0.21 0.00 0.00 178.00 178.51 6nul h PHE 69 N 0.88 0.29 -0.48 0.65 3.57 -1.14 0.33 116.94 121.04 6nul h PHE 69 Ca 0.30 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 6nul h PHE 69 Cb 0.08 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 6nul h PHE 69 CO -0.00 0.30 0.30 0.82 -2.23 0.00 0.00 178.31 177.49 6nul h ILE 70 N 0.20 1.14 -0.64 1.41 1.08 -0.53 -2.10 117.51 118.07 6nul h ILE 70 Ca 0.07 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.26 6nul h ILE 70 Cb 0.12 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 6nul h ILE 70 CO -0.01 0.14 0.39 -0.33 -0.69 0.00 0.00 178.15 177.66 6nul h GLU 71 N 0.64 0.75 -0.51 2.37 4.39 -0.89 0.34 114.58 121.66 6nul h GLU 71 Ca 0.17 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 6nul h GLU 71 Cb -0.02 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 6nul h GLU 71 CO -0.03 0.49 0.20 1.49 -1.16 0.00 0.00 179.01 180.00 6nul h GLU 72 N 0.77 0.77 0.00 2.33 4.81 -0.55 -2.99 114.58 119.73 6nul h GLU 72 Ca 0.26 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 6nul h GLU 72 Cb 0.03 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.29 6nul h GLU 72 CO -0.11 0.69 -0.20 0.44 -0.73 0.00 0.00 179.01 179.10 6nul n ILE 73 N -4.53 0.32 -0.31 2.32 -5.35 -0.82 -4.39 119.36 106.59 6nul n ILE 73 Ca 0.02 -0.17 0.16 0.00 -0.27 0.00 0.00 62.75 62.49 6nul n ILE 73 Cb 0.16 -0.36 0.34 0.00 -1.74 0.00 0.00 39.64 38.04 6nul n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 6nul h SER 74 N 0.00 0.06 0.33 7.28 4.64 -0.78 0.29 113.55 125.38 6nul h SER 74 Ca 0.00 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 6nul h SER 74 Cb 0.65 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 6nul h SER 74 CO 0.00 -0.19 -0.14 0.35 -0.87 0.00 0.00 176.83 175.98 6nul n THR 75 N -5.23 0.00 -0.98 2.95 -2.24 -1.26 -3.93 114.28 103.59 6nul n THR 75 Ca 0.25 -0.08 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 6nul n THR 75 Cb 0.79 0.02 0.22 0.00 -2.10 0.00 0.00 70.33 69.25 6nul n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 6nul n LYS 76 N -0.87 2.50 -0.23 -0.78 5.02 0.09 -4.68 118.16 119.21 6nul n LYS 76 Ca 0.14 -2.74 0.05 0.00 -2.02 0.00 0.00 58.31 53.74 6nul n LYS 76 Cb 0.29 -1.73 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 6nul n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 6nul n ILE 77 N -0.72 1.02 -1.91 -0.18 -5.35 -1.20 -5.01 119.36 106.01 6nul n ILE 77 Ca 0.19 -1.21 -0.42 0.00 -0.27 0.00 0.00 62.75 61.05 6nul n ILE 77 Cb 0.81 0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 6nul n ILE 77 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 6nul s SER 78 N -1.90 6.53 0.00 7.28 0.15 -1.24 -1.76 113.70 122.76 6nul s SER 78 Ca 0.16 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.58 6nul s SER 78 Cb 0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 6nul s SER 78 CO 0.02 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.26 6nul n GLY 79 N 2.49 2.31 3.75 9.45 0.00 0.12 -4.93 105.19 118.39 6nul n GLY 79 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 6nul n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6nul s LYS 80 N -0.14 4.83 0.22 1.61 1.02 -0.72 -4.66 119.74 121.89 6nul s LYS 80 Ca 0.00 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.17 6nul s LYS 80 Cb 0.00 -3.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 6nul s LYS 80 CO 0.00 0.49 0.98 0.15 -0.92 0.00 0.00 175.35 176.05 6nul s LYS 81 N -1.28 4.78 0.02 1.68 1.02 -1.25 -0.67 119.74 124.03 6nul s LYS 81 Ca 0.42 1.55 -0.00 0.00 0.02 0.00 0.00 55.97 57.95 6nul s LYS 81 Cb -0.25 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 6nul s LYS 81 CO 0.31 0.38 -0.02 0.14 -0.92 0.00 0.00 175.35 175.25 6nul s VAL 82 N -0.88 0.10 -0.07 3.17 -7.23 0.05 -1.55 120.40 113.98 6nul s VAL 82 Ca 0.43 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 6nul s VAL 82 Cb -0.27 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.45 6nul s VAL 82 CO 0.33 -0.44 -0.14 0.00 -0.31 0.00 0.00 175.10 174.54 6nul s ALA 83 N -1.29 1.39 0.08 1.32 0.00 0.11 -1.14 121.76 122.23 6nul s ALA 83 Ca -0.14 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.40 6nul s ALA 83 Cb -0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 6nul s ALA 83 CO -0.01 0.13 -0.16 -0.51 0.00 0.00 0.00 175.76 175.20 6nul s LEU 84 N 0.64 2.73 0.21 0.00 1.43 -1.26 -1.19 118.68 121.24 6nul s LEU 84 Ca -0.15 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 6nul s LEU 84 Cb -0.16 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.50 6nul s LEU 84 CO 0.04 0.21 0.55 0.72 0.23 0.00 0.00 176.35 178.10 6nul s PHE 85 N -1.06 -0.09 0.00 0.29 -0.71 -0.77 -1.22 117.98 114.43 6nul s PHE 85 Ca 0.17 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 6nul s PHE 85 Cb -0.11 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 6nul s PHE 85 CO 0.08 -0.97 0.00 0.41 -1.34 0.00 0.00 175.22 173.41 6nul n GLY 86 N -0.36 1.65 3.92 1.99 0.00 -0.49 -1.67 105.19 110.23 6nul n GLY 86 Ca -0.08 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 6nul n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 6nul s SER 87 N 0.00 6.40 0.24 1.61 0.15 -1.26 -2.33 113.70 118.51 6nul s SER 87 Ca 0.00 0.39 -0.01 0.00 0.70 0.00 0.00 55.95 57.03 6nul s SER 87 Cb 0.00 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 6nul s SER 87 CO 0.00 0.04 0.23 -0.72 1.20 0.00 0.00 173.24 173.98 6nul s TYR 88 N -1.73 1.16 0.00 3.44 1.13 -0.42 -1.67 117.35 119.27 6nul s TYR 88 Ca 0.38 -1.34 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 6nul s TYR 88 Cb -0.12 -0.46 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 6nul s TYR 88 CO 0.28 -0.76 0.00 0.41 -2.51 0.00 0.00 175.55 172.96 6nul n GLY 89 N -0.37 0.29 0.05 5.49 0.00 -1.26 -0.28 105.19 109.10 6nul n GLY 89 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 6nul n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 6nul n TRP 90 N -0.60 0.39 -0.32 1.61 2.14 -1.26 -4.83 117.44 114.57 6nul n TRP 90 Ca 0.00 0.11 0.00 0.00 2.07 0.00 0.00 57.50 59.68 6nul n TRP 90 Cb 0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 31.31 29.96 6nul n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 6nul n GLY 91 N 1.34 0.01 0.42 -1.67 0.00 -1.26 -5.05 105.19 98.98 6nul n GLY 91 Ca 0.02 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.39 6nul n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 6nul n ASP 92 N 0.00 0.56 0.00 1.61 5.68 -1.26 -5.01 116.55 118.13 6nul n ASP 92 Ca 0.00 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 6nul n ASP 92 Cb 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 6nul n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 6nul n GLY 93 N -0.33 1.18 0.26 6.12 0.00 -1.26 -5.02 105.19 106.13 6nul n GLY 93 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 6nul n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 6nul h LYS 94 N 1.86 0.44 -0.43 1.61 1.63 -1.94 -0.14 116.57 119.61 6nul h LYS 94 Ca 0.00 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 6nul h LYS 94 Cb 0.00 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 6nul h LYS 94 CO 0.00 0.29 0.28 0.11 -3.45 0.00 0.00 179.45 176.69 6nul h TRP 95 N 0.46 0.52 0.10 1.91 0.09 -1.95 -1.26 115.95 115.82 6nul h TRP 95 Ca 0.35 0.01 -0.26 0.00 0.09 0.00 0.00 58.89 59.08 6nul h TRP 95 Cb 0.46 -0.18 0.00 0.00 0.08 0.00 0.00 29.16 29.52 6nul h TRP 95 CO -0.16 0.33 -1.16 1.98 0.09 0.00 0.00 178.44 179.52 6nul h MET 96 N 0.56 0.29 -0.72 0.12 4.05 -1.43 -0.46 114.93 117.35 6nul h MET 96 Ca 0.16 -0.45 -0.04 0.00 -0.28 0.00 0.00 59.70 59.10 6nul h MET 96 Cb -0.04 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 6nul h MET 96 CO -0.04 1.18 0.31 0.00 0.23 0.00 0.00 176.91 178.60 6nul h ARG 97 N 0.11 1.06 -0.40 0.39 3.08 -0.59 0.41 114.38 118.43 6nul h ARG 97 Ca -0.12 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.62 6nul h ARG 97 Cb 1.87 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 6nul h ARG 97 CO 0.19 0.86 -0.29 -0.44 -1.07 0.00 0.00 179.97 179.22 6nul h ASP 98 N 1.02 0.95 -0.57 7.04 3.32 -1.21 -1.61 116.42 125.36 6nul h ASP 98 Ca 0.24 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.87 6nul h ASP 98 Cb 0.17 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 6nul h ASP 98 CO -0.02 1.18 0.37 0.15 -1.72 0.00 0.00 179.24 179.20 6nul h PHE 99 N 0.72 0.70 -0.37 4.55 3.57 -0.73 0.61 116.94 126.00 6nul h PHE 99 Ca 0.08 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 6nul h PHE 99 Cb 0.87 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 6nul h PHE 99 CO 0.06 0.43 0.13 1.49 -2.23 0.00 0.00 178.31 178.19 6nul h GLU 100 N 0.75 0.56 -0.93 1.11 4.81 -0.78 -1.54 114.58 118.56 6nul h GLU 100 Ca 0.21 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 6nul h GLU 100 Cb -0.06 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 6nul h GLU 100 CO -0.06 0.56 0.55 1.49 -0.73 0.00 0.00 179.01 180.83 6nul h GLU 101 N 0.44 1.26 0.18 1.92 4.81 -1.00 -1.66 114.58 120.54 6nul h GLU 101 Ca 0.12 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 6nul h GLU 101 Cb 0.23 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 6nul h GLU 101 CO -0.01 0.89 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.95 6nul h ARG 102 N 1.28 -0.30 -0.60 1.92 2.43 -0.52 -0.41 114.38 118.19 6nul h ARG 102 Ca 0.33 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 6nul h ARG 102 Cb -0.04 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 6nul h ARG 102 CO -0.06 -0.20 0.20 0.52 -1.51 0.00 0.00 179.97 178.92 6nul h MET 103 N -0.31 0.90 -0.55 0.20 2.86 -1.15 -0.80 114.93 116.09 6nul h MET 103 Ca -0.01 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 6nul h MET 103 Cb 0.27 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 6nul h MET 103 CO 0.01 0.77 0.20 -0.91 1.06 0.00 0.00 176.91 178.03 6nul h ASN 104 N 0.88 0.73 0.67 1.22 2.35 -1.07 -1.36 115.58 119.00 6nul h ASN 104 Ca 0.20 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 6nul h ASN 104 Cb 0.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.42 6nul h ASN 104 CO -0.01 0.68 0.00 1.23 -1.65 0.00 0.00 177.43 177.68 6nul h GLY 105 N 0.93 0.00 -0.93 2.83 0.00 0.39 -0.85 103.07 105.44 6nul h GLY 105 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 6nul h GLY 105 CO -0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.81 6nul n TYR 106 N -3.09 0.14 -0.60 5.60 4.01 -0.59 -4.92 117.16 117.71 6nul n TYR 106 Ca -0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 6nul n TYR 106 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 6nul n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 6nul n GLY 107 N 1.20 0.68 3.85 2.72 0.00 -0.32 -3.68 105.19 109.64 6nul n GLY 107 Ca 0.17 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 6nul n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6nul s VAL 109 N -2.89 4.13 -0.54 0.00 1.01 0.16 -4.45 120.40 117.81 6nul s VAL 109 Ca 0.58 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 6nul s VAL 109 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.99 6nul s VAL 109 CO 0.44 -0.17 1.14 -0.69 0.00 0.00 0.00 175.10 175.82 6nul s VAL 110 N 1.47 4.13 0.28 2.92 1.01 -1.26 -0.77 120.40 128.18 6nul s VAL 110 Ca 0.00 0.93 0.06 0.00 0.00 0.00 0.00 61.98 62.98 6nul s VAL 110 Cb -0.19 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.54 6nul s VAL 110 CO 0.04 -1.20 1.66 -0.37 0.00 0.00 0.00 175.10 175.23 6nul h VAL 111 N 6.16 1.34 -4.06 2.92 -1.51 -1.51 -3.47 116.25 116.13 6nul h VAL 111 Ca -0.24 -1.68 -0.30 0.00 -1.23 0.00 0.00 66.70 63.24 6nul h VAL 111 Cb 1.06 1.80 -0.15 0.00 -2.13 0.00 0.00 31.29 31.88 6nul h VAL 111 CO 1.15 0.50 -0.62 -1.61 -1.23 0.00 0.00 177.57 175.76 6nul s GLU 112 N -4.00 1.31 0.18 5.19 0.41 -1.26 -5.10 118.70 115.43 6nul s GLU 112 Ca -0.04 -1.70 -0.31 0.00 -0.41 0.00 0.00 54.97 52.51 6nul s GLU 112 Cb 0.13 -0.07 -0.09 0.00 -1.78 0.00 0.00 34.13 32.31 6nul s GLU 112 CO 0.78 -0.32 1.47 0.99 -0.49 0.00 0.00 175.26 177.69 6nul s THR 113 N -3.89 2.84 0.36 3.63 2.01 -1.26 -4.79 115.64 114.54 6nul s THR 113 Ca 0.37 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.74 6nul s THR 113 Cb 0.07 -3.41 -0.12 0.00 0.01 0.00 0.00 72.50 69.06 6nul s THR 113 CO 0.12 0.07 1.29 -2.65 -0.69 0.00 0.00 174.62 172.76 6nul n PRO 114 N 3.37 2.09 -3.22 4.92 -0.02 -1.26 -4.88 135.00 136.00 6nul n PRO 114 Ca 0.11 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 6nul n PRO 114 Cb 0.40 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 6nul n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 6nul s LEU 115 N -1.20 4.08 -0.07 2.45 2.96 -0.36 -4.97 118.68 121.58 6nul s LEU 115 Ca 0.57 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 6nul s LEU 115 Cb -0.55 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.44 6nul s LEU 115 CO 0.61 -0.27 -0.15 0.27 -1.32 0.00 0.00 176.35 175.50 6nul s ILE 116 N 2.12 1.32 -0.02 6.68 -4.36 -1.26 -1.39 121.20 124.29 6nul s ILE 116 Ca 0.23 -0.59 0.04 0.00 -0.26 0.00 0.00 60.65 60.07 6nul s ILE 116 Cb -0.16 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 6nul s ILE 116 CO 0.09 0.39 -0.14 -0.69 0.24 0.00 0.00 174.94 174.83 6nul s VAL 117 N 0.56 1.17 -0.17 8.37 1.01 -0.99 -5.01 120.40 125.34 6nul s VAL 117 Ca -0.15 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 6nul s VAL 117 Cb -0.16 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 6nul s VAL 117 CO 0.05 0.34 0.89 -1.58 0.00 0.00 0.00 175.10 174.79 6nul s GLN 118 N -0.18 4.31 3.85 2.72 0.74 -1.26 -1.30 119.66 128.55 6nul s GLN 118 Ca 0.02 1.13 0.00 0.00 0.05 0.00 0.00 55.36 56.56 6nul s GLN 118 Cb -0.07 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.45 6nul s GLN 118 CO 0.00 -0.38 0.00 0.09 -0.55 0.00 0.00 175.29 174.45 6nul n ASN 119 N 5.39 0.00 -4.76 6.67 3.02 0.61 -4.53 115.26 121.66 6nul n ASN 119 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 6nul n ASN 119 Cb 0.48 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 6nul n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 6nul s GLU 120 N 0.00 4.52 0.06 3.52 2.12 -1.26 -4.73 118.70 122.93 6nul s GLU 120 Ca 0.00 1.94 -0.13 0.00 0.36 0.00 0.00 54.97 57.15 6nul s GLU 120 Cb 0.00 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 6nul s GLU 120 CO 0.00 0.01 1.22 -1.35 -0.54 0.00 0.00 175.26 174.61 6nul h PRO 121 N 4.11 -0.01 0.00 4.30 0.11 -1.84 -3.45 132.00 135.22 6nul h PRO 121 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 6nul h PRO 121 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 6nul h PRO 121 CO 0.69 -0.01 0.00 -3.47 -0.21 0.00 0.00 178.00 175.00 6nul n ASP 122 N -3.92 0.00 0.26 -2.05 2.03 -1.26 -0.93 116.55 110.69 6nul n ASP 122 Ca 0.01 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.42 6nul n ASP 122 Cb 0.11 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.20 6nul n ASP 122 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 6nul h GLU 123 N 0.00 0.00 -0.41 -0.67 4.39 -1.99 -1.61 114.58 114.28 6nul h GLU 123 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 6nul h GLU 123 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 6nul h GLU 123 CO 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 179.01 177.92 6nul n ALA 124 N -2.43 2.59 -0.10 3.43 0.00 -0.11 -4.33 120.51 119.57 6nul n ALA 124 Ca -0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 6nul n ALA 124 Cb 0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 6nul n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 6nul h GLU 125 N 1.47 0.38 -0.45 0.00 5.08 -1.45 -2.24 114.58 117.37 6nul h GLU 125 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 6nul h GLU 125 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 6nul h GLU 125 CO 0.04 0.25 0.13 0.37 -1.00 0.00 0.00 179.01 178.81 6nul h GLN 126 N 0.39 0.66 -0.88 2.33 5.75 -1.83 -1.09 115.11 120.43 6nul h GLN 126 Ca 0.14 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 6nul h GLN 126 Cb 0.02 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 6nul h GLN 126 CO -0.07 0.59 0.58 -0.44 -2.65 0.00 0.00 178.83 176.83 6nul h ASP 127 N 0.65 0.92 -0.21 -0.69 3.32 -1.70 0.13 116.42 118.83 6nul h ASP 127 Ca 0.15 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 6nul h ASP 127 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 6nul h ASP 127 CO -0.01 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 6nul h ILE 129 N 0.13 1.03 -0.39 0.00 2.04 -0.75 -2.54 117.51 117.03 6nul h ILE 129 Ca 0.06 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 6nul h ILE 129 Cb 0.39 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 6nul h ILE 129 CO 0.01 0.08 0.17 -0.33 0.00 0.00 0.00 178.15 178.08 6nul h GLU 130 N 0.43 0.55 -0.53 2.37 4.39 -0.70 -1.10 114.58 119.99 6nul h GLU 130 Ca 0.15 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 6nul h GLU 130 Cb 0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 6nul h GLU 130 CO -0.07 0.44 0.11 0.35 -1.16 0.00 0.00 179.01 178.68 6nul h PHE 131 N 0.55 0.91 -0.91 4.33 3.57 -1.00 -0.62 116.94 123.77 6nul h PHE 131 Ca 0.14 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.53 6nul h PHE 131 Cb 0.09 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 6nul h PHE 131 CO 0.00 0.80 0.58 0.78 -2.23 0.00 0.00 178.31 178.24 6nul h GLY 132 N 0.75 1.29 1.56 2.40 0.00 -0.92 -1.71 103.07 106.44 6nul h GLY 132 Ca 0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 6nul h GLY 132 CO 0.00 0.49 -0.05 0.50 0.00 0.00 0.00 176.54 177.48 6nul h LYS 133 N 1.24 0.54 -0.33 4.80 1.57 -0.55 -0.71 116.57 123.13 6nul h LYS 133 Ca 0.33 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 6nul h LYS 133 Cb -0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 6nul h LYS 133 CO -0.07 0.61 0.05 0.87 -0.57 0.00 0.00 179.45 180.34 6nul h LYS 134 N 0.51 0.55 -0.47 3.15 1.57 -0.46 -1.70 116.57 119.71 6nul h LYS 134 Ca 0.10 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 6nul h LYS 134 Cb 0.41 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 6nul h LYS 134 CO 0.02 0.64 0.25 0.82 -0.57 0.00 0.00 179.45 180.61 6nul h ILE 135 N 0.38 1.17 0.00 1.86 2.04 -0.99 -2.46 117.51 119.51 6nul h ILE 135 Ca 0.10 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 6nul h ILE 135 Cb 0.36 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 6nul h ILE 135 CO 0.01 0.18 -0.14 0.00 0.00 0.00 0.00 178.15 178.20 6nul h ALA 136 N 1.10 1.41 0.00 1.87 0.00 -0.97 -2.72 119.26 119.95 6nul h ALA 136 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 6nul h ALA 136 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 6nul h ALA 136 CO -0.03 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.39 6nul n ALA 137 N -2.35 1.94 0.99 0.00 0.00 -0.66 -5.07 120.51 115.37 6nul n ALA 137 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.54 6nul n ALA 137 Cb 0.23 -1.43 0.47 0.00 0.00 0.00 0.00 19.45 18.73 6nul n ALA 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61