#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lor s LEU 15 N 0.00 1.80 -0.14 0.55 2.96 -1.26 -0.95 118.68 121.64 1lor s LEU 15 Ca 0.00 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1lor s LEU 15 Cb 0.00 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1lor s LEU 15 CO 0.00 0.00 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 1lor s ILE 16 N 1.15 3.05 -0.15 6.68 1.01 0.21 -4.32 121.20 128.83 1lor s ILE 16 Ca -0.02 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.73 1lor s ILE 16 Cb -0.14 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1lor s ILE 16 CO -0.06 0.52 0.78 -0.22 0.00 0.00 0.00 174.94 175.96 1lor s LEU 17 N 0.48 4.20 -0.64 2.97 2.96 -1.07 -1.05 118.68 126.53 1lor s LEU 17 Ca -0.09 1.12 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 1lor s LEU 17 Cb -0.16 -3.15 0.09 0.00 0.50 0.00 0.00 46.19 43.47 1lor s LEU 17 CO 0.04 -0.32 0.83 0.00 -1.32 0.00 0.00 176.35 175.58 1lor s ALA 18 N 1.85 3.30 -1.01 5.97 0.00 -0.23 -0.26 121.76 131.38 1lor s ALA 18 Ca 0.37 -2.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 1lor s ALA 18 Cb -0.17 -3.68 0.14 0.00 0.00 0.00 0.00 23.12 19.41 1lor s ALA 18 CO 0.13 -2.55 1.24 1.41 0.00 0.00 0.00 175.76 175.99 1lor s MET 19 N 3.20 3.74 -0.14 0.00 1.75 -0.53 -4.38 119.30 122.93 1lor s MET 19 Ca 0.17 -1.95 0.16 0.00 -1.25 0.00 0.00 55.69 52.82 1lor s MET 19 Cb -0.20 -4.99 0.65 0.00 2.84 0.00 0.00 34.83 33.13 1lor s MET 19 CO 0.07 -1.80 1.57 -0.25 -0.65 0.00 0.00 175.02 173.95 1lor n ASP 20 N 6.46 4.56 -4.76 1.11 8.00 -1.26 -4.40 116.55 126.26 1lor n ASP 20 Ca 0.28 -2.62 -0.34 0.00 0.71 0.00 0.00 54.79 52.82 1lor n ASP 20 Cb 0.47 -0.55 0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1lor n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lor s LEU 21 N -2.15 3.54 0.00 0.64 1.43 -1.26 -4.65 118.68 116.22 1lor s LEU 21 Ca 0.47 2.15 0.20 0.00 -1.03 0.00 0.00 54.13 55.92 1lor s LEU 21 Cb 0.33 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.84 1lor s LEU 21 CO 0.18 -1.56 0.92 0.23 0.23 0.00 0.00 176.35 176.35 1lor n MET 22 N -1.97 0.77 -4.93 1.70 2.81 -1.26 -4.05 117.12 110.19 1lor n MET 22 Ca 0.12 -0.37 -0.33 0.00 -1.81 0.00 0.00 57.70 55.31 1lor n MET 22 Cb 0.51 -1.44 -0.14 0.00 -0.71 0.00 0.00 33.22 31.45 1lor n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1lor s ASN 23 N -2.68 3.88 0.22 7.83 2.20 -1.26 -4.57 114.94 120.56 1lor s ASN 23 Ca 0.11 -0.26 -0.08 0.00 -0.94 0.00 0.00 52.86 51.69 1lor s ASN 23 Cb 0.16 -0.93 0.34 0.00 -2.00 0.00 0.00 41.25 38.82 1lor s ASN 23 CO 0.71 0.31 1.72 -0.09 -2.94 0.00 0.00 177.10 176.80 1lor h ARG 24 N 5.63 0.32 -0.46 3.55 2.43 -1.95 -0.62 114.38 123.29 1lor h ARG 24 Ca -0.42 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1lor h ARG 24 Cb 1.16 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1lor h ARG 24 CO 0.51 0.21 0.25 -0.44 -1.51 0.00 0.00 179.97 178.99 1lor h ASP 25 N 0.33 0.57 -0.35 -3.80 3.32 -1.99 0.97 116.42 115.47 1lor h ASP 25 Ca 0.34 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1lor h ASP 25 Cb 0.50 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1lor h ASP 25 CO -0.39 0.49 -0.14 0.44 -1.72 0.00 0.00 179.24 177.92 1lor h ASP 26 N 0.60 0.73 -0.78 6.45 3.32 -1.91 -1.29 116.42 123.54 1lor h ASP 26 Ca 0.16 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1lor h ASP 26 Cb 0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1lor h ASP 26 CO -0.03 0.96 0.51 0.00 -1.72 0.00 0.00 179.24 178.97 1lor h ALA 27 N 0.79 0.99 -0.46 3.45 0.00 -0.82 -1.05 119.26 122.17 1lor h ALA 27 Ca 0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1lor h ALA 27 Cb 0.67 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1lor h ALA 27 CO 0.05 0.42 -0.15 -0.07 0.00 0.00 0.00 179.25 179.49 1lor h LEU 28 N 1.06 0.93 0.53 0.00 3.38 -0.73 -2.14 115.31 118.34 1lor h LEU 28 Ca 0.29 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1lor h LEU 28 Cb -0.11 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.39 1lor h LEU 28 CO -0.06 1.09 -0.25 -0.09 0.09 0.00 0.00 178.44 179.22 1lor h ARG 29 N 0.75 -0.69 -0.55 1.13 2.43 -0.80 -1.38 114.38 115.27 1lor h ARG 29 Ca 0.11 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1lor h ARG 29 Cb 0.71 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1lor h ARG 29 CO 0.05 -0.45 0.28 0.28 -1.51 0.00 0.00 179.97 178.62 1lor h VAL 30 N -0.73 1.20 -0.73 0.20 2.07 -1.26 -1.49 116.25 115.52 1lor h VAL 30 Ca -0.07 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1lor h VAL 30 Cb 0.55 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1lor h VAL 30 CO 0.12 0.22 0.36 0.74 0.02 0.00 0.00 177.57 179.03 1lor h THR 31 N 0.74 1.23 -0.48 2.57 2.02 -1.36 -2.17 112.91 115.46 1lor h THR 31 Ca 0.19 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1lor h THR 31 Cb 0.10 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1lor h THR 31 CO -0.03 0.27 0.05 1.23 0.37 0.00 0.00 175.52 177.42 1lor h GLY 32 N 1.01 0.81 2.00 2.16 0.00 -0.97 -1.75 103.07 106.33 1lor h GLY 32 Ca 0.25 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1lor h GLY 32 CO -0.03 0.47 -0.33 0.83 0.00 0.00 0.00 176.54 177.47 1lor h GLU 33 N 0.72 0.00 -0.36 4.80 5.08 -0.68 -3.14 114.58 121.00 1lor h GLU 33 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1lor h GLU 33 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1lor h GLU 33 CO 0.01 0.33 0.00 1.33 -1.00 0.00 0.00 179.01 179.68 1lor n VAL 34 N -4.13 0.79 -0.32 3.13 0.24 -0.87 -4.54 118.33 112.62 1lor n VAL 34 Ca -0.02 -0.90 0.11 0.00 -2.04 0.00 0.00 64.34 61.50 1lor n VAL 34 Cb 0.37 0.67 0.29 0.00 -1.47 0.00 0.00 33.84 33.70 1lor n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1lor h ARG 35 N 2.63 0.61 0.00 7.34 9.65 -1.27 -0.38 114.38 132.96 1lor h ARG 35 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1lor h ARG 35 Cb 0.75 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1lor h ARG 35 CO 0.00 0.41 0.00 1.05 2.80 0.00 0.00 179.97 184.23 1lor h GLU 36 N 0.63 0.00 -0.01 0.20 4.11 -1.84 -2.53 114.58 115.14 1lor h GLU 36 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 1lor h GLU 36 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1lor h GLU 36 CO -0.41 0.00 -0.56 0.66 0.07 0.00 0.00 179.01 178.77 1lor n TYR 37 N -2.63 0.00 -4.42 2.06 4.02 -0.16 -4.99 117.16 111.05 1lor n TYR 37 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 1lor n TYR 37 Cb 0.14 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 1lor n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1lor s ILE 38 N -2.56 0.33 0.00 -0.72 -4.36 -0.95 -4.70 121.20 108.24 1lor s ILE 38 Ca 0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1lor s ILE 38 Cb 0.18 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.49 1lor s ILE 38 CO 0.62 0.00 0.00 -0.90 0.24 0.00 0.00 174.94 174.90 1lor n ASP 39 N -1.39 0.00 -3.89 4.36 5.75 -1.26 -4.89 116.55 115.23 1lor n ASP 39 Ca -0.01 -0.33 -0.16 0.00 -0.01 0.00 0.00 54.79 54.28 1lor n ASP 39 Cb 0.64 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.58 1lor n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1lor s THR 40 N 0.00 0.30 -0.08 2.12 2.01 -1.26 -1.84 115.64 116.88 1lor s THR 40 Ca 0.00 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1lor s THR 40 Cb 0.00 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 1lor s THR 40 CO 0.00 0.13 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.14 1lor s VAL 41 N 0.43 2.19 -0.28 3.82 1.01 -0.36 -2.59 120.40 124.62 1lor s VAL 41 Ca -0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1lor s VAL 41 Cb -0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1lor s VAL 41 CO -0.01 0.56 0.28 -0.75 0.00 0.00 0.00 175.10 175.18 1lor s LYS 42 N 0.08 3.94 -0.15 2.72 2.20 0.64 -1.27 119.74 127.90 1lor s LYS 42 Ca -0.10 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1lor s LYS 42 Cb -0.16 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1lor s LYS 42 CO 0.06 -0.25 -0.11 0.42 -0.36 0.00 0.00 175.35 175.11 1lor s ILE 43 N 1.90 3.10 0.00 5.43 1.01 -0.01 -1.45 121.20 131.18 1lor s ILE 43 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1lor s ILE 43 Cb -0.16 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1lor s ILE 43 CO 0.11 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1lor n GLY 44 N 3.88 5.40 0.19 6.18 0.00 -1.26 -0.65 105.19 118.93 1lor n GLY 44 Ca -0.18 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 43.74 1lor n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1lor h TYR 45 N 0.49 0.02 -0.96 1.61 0.99 -1.97 -1.71 116.97 115.45 1lor h TYR 45 Ca 0.00 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.83 1lor h TYR 45 Cb 0.00 -0.01 -0.08 0.00 1.00 0.00 0.00 36.73 37.65 1lor h TYR 45 CO 0.00 0.37 0.59 -1.35 -0.00 0.00 0.00 178.16 177.77 1lor h PRO 46 N 0.02 0.95 0.13 4.88 0.11 -1.93 0.93 132.00 137.09 1lor h PRO 46 Ca -0.00 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 65.79 1lor h PRO 46 Cb 0.63 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1lor h PRO 46 CO 0.05 0.63 -1.33 1.25 -0.21 0.00 0.00 178.00 178.38 1lor h LEU 47 N 0.98 0.42 -0.74 2.35 5.85 -1.67 -3.30 115.31 119.20 1lor h LEU 47 Ca 0.46 -0.88 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1lor h LEU 47 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1lor h LEU 47 CO -0.24 1.59 0.27 0.58 -0.34 0.00 0.00 178.44 180.30 1lor h VAL 48 N -0.28 1.26 0.00 1.05 2.07 -1.16 0.06 116.25 119.24 1lor h VAL 48 Ca -0.28 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1lor h VAL 48 Cb 1.77 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1lor h VAL 48 CO 0.09 0.34 0.00 0.18 0.02 0.00 0.00 177.57 178.19 1lor n LEU 49 N -4.30 0.54 -0.08 2.57 4.77 0.31 -0.16 117.00 120.66 1lor n LEU 49 Ca 0.06 0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1lor n LEU 49 Cb 0.20 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1lor n LEU 49 CO 0.41 -0.34 -1.07 -1.20 -1.33 0.00 0.00 177.39 173.85 1lor n SER 50 N -2.06 1.33 -0.08 -1.43 7.64 -0.93 -4.68 113.62 113.42 1lor n SER 50 Ca 0.04 0.05 0.02 0.00 1.01 0.00 0.00 58.87 59.98 1lor n SER 50 Cb 0.29 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1lor n SER 50 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lor n GLU 51 N -3.14 2.55 0.00 1.43 -0.58 -0.04 -5.02 120.64 115.84 1lor n GLU 51 Ca -0.36 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.00 1lor n GLU 51 Cb 1.06 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 1lor n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lor n GLY 52 N 0.62 0.86 0.30 0.62 0.00 0.78 -4.61 105.19 103.76 1lor n GLY 52 Ca 0.01 -1.75 0.17 0.00 0.00 0.00 0.00 46.02 44.46 1lor n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1lor h MET 53 N 0.00 0.00 0.00 1.61 2.86 -1.94 -2.53 114.93 114.92 1lor h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1lor h MET 53 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1lor h MET 53 CO 0.00 0.04 0.00 -0.44 1.06 0.00 0.00 176.91 177.57 1lor h ASP 54 N 0.00 0.00 0.26 1.22 3.32 -1.92 -2.32 116.42 116.98 1lor h ASP 54 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1lor h ASP 54 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1lor h ASP 54 CO 0.01 0.00 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.16 1lor h ILE 55 N 0.00 0.50 -0.03 0.35 6.09 -1.70 -2.17 117.51 120.55 1lor h ILE 55 Ca 0.00 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 63.13 1lor h ILE 55 Cb 0.19 1.23 -0.00 0.00 0.47 0.00 0.00 36.82 38.71 1lor h ILE 55 CO 0.00 0.07 -0.01 0.40 -3.07 0.00 0.00 178.15 175.55 1lor h ILE 56 N 0.00 1.29 -0.22 2.19 2.04 -1.65 -1.47 117.51 119.68 1lor h ILE 56 Ca -0.00 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 1lor h ILE 56 Cb 0.23 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1lor h ILE 56 CO 0.01 0.23 -0.28 0.00 0.00 0.00 0.00 178.15 178.12 1lor h ALA 57 N 0.66 1.11 -0.27 1.87 0.00 -1.56 -1.34 119.26 119.73 1lor h ALA 57 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1lor h ALA 57 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1lor h ALA 57 CO 0.00 0.56 0.12 1.49 0.00 0.00 0.00 179.25 181.42 1lor h GLU 58 N 0.38 0.40 -0.41 0.00 4.81 -1.29 -1.39 114.58 117.08 1lor h GLU 58 Ca 0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1lor h GLU 58 Cb 0.69 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1lor h GLU 58 CO 0.05 0.42 0.17 0.74 -0.73 0.00 0.00 179.01 179.66 1lor h PHE 59 N 0.29 0.63 -0.62 0.92 -1.00 -1.07 0.35 116.94 116.44 1lor h PHE 59 Ca 0.09 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.88 1lor h PHE 59 Cb 0.16 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.48 1lor h PHE 59 CO -0.01 0.55 0.34 -0.09 -1.61 0.00 0.00 178.31 177.49 1lor h ARG 60 N 0.52 0.63 -0.02 1.51 2.43 -1.08 -0.65 114.38 117.72 1lor h ARG 60 Ca 0.14 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1lor h ARG 60 Cb 0.18 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1lor h ARG 60 CO -0.01 0.41 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.56 1lor h LYS 61 N 0.65 0.09 -0.53 0.20 3.64 -1.08 0.67 116.57 120.21 1lor h LYS 61 Ca 0.27 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1lor h LYS 61 Cb 0.15 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1lor h LYS 61 CO -0.17 0.73 0.29 -0.09 -2.27 0.00 0.00 179.45 177.94 1lor h ARG 62 N -0.52 0.74 0.00 1.90 9.65 -0.82 -3.29 114.38 122.05 1lor h ARG 62 Ca -0.01 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1lor h ARG 62 Cb 0.74 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1lor h ARG 62 CO 0.02 0.58 -1.04 1.19 2.80 0.00 0.00 179.97 183.51 1lor n PHE 63 N -4.63 0.00 -1.62 2.20 3.01 -0.26 -4.99 117.46 111.18 1lor n PHE 63 Ca 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.34 1lor n PHE 63 Cb 0.09 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 1lor n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lor n GLY 64 N 1.43 1.16 3.93 1.37 0.00 0.23 -4.99 105.19 108.32 1lor n GLY 64 Ca 0.01 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1lor n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lor s ARG 66 N -3.57 4.18 -0.14 0.00 6.06 -0.77 -4.54 118.95 120.17 1lor s ARG 66 Ca 0.40 1.47 0.02 0.00 -2.50 0.00 0.00 55.73 55.11 1lor s ARG 66 Cb -0.11 -2.51 0.01 0.00 0.06 0.00 0.00 34.95 32.40 1lor s ARG 66 CO 0.30 -0.12 -0.21 0.42 -2.50 0.00 0.00 175.30 173.20 1lor s ILE 67 N -1.70 2.18 -0.25 4.11 -1.09 -1.26 -1.23 121.20 121.96 1lor s ILE 67 Ca 0.58 -0.94 -0.09 0.00 -2.23 0.00 0.00 60.65 57.97 1lor s ILE 67 Cb -0.21 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1lor s ILE 67 CO 0.26 0.54 0.12 -0.63 -1.23 0.00 0.00 174.94 174.00 1lor s ILE 68 N 0.83 4.88 -0.46 2.92 1.01 -0.39 -1.00 121.20 128.98 1lor s ILE 68 Ca -0.06 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 1lor s ILE 68 Cb -0.15 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.06 1lor s ILE 68 CO -0.02 0.33 0.84 0.00 0.00 0.00 0.00 174.94 176.09 1lor s ALA 69 N 1.39 3.26 -1.11 9.38 0.00 0.24 -0.83 121.76 134.09 1lor s ALA 69 Ca 0.06 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 1lor s ALA 69 Cb -0.15 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.60 1lor s ALA 69 CO 0.06 -2.01 1.29 0.34 0.00 0.00 0.00 175.76 175.44 1lor s ASP 70 N 2.25 6.97 0.00 0.00 2.15 0.18 -1.51 116.67 126.70 1lor s ASP 70 Ca 0.32 -2.79 0.17 0.00 0.43 0.00 0.00 52.55 50.68 1lor s ASP 70 Cb -0.12 -2.37 0.24 0.00 -0.30 0.00 0.00 42.92 40.37 1lor s ASP 70 CO 0.23 -0.77 1.16 0.49 -0.17 0.00 0.00 175.17 176.11 1lor n PHE 71 N 5.51 0.22 -4.26 -5.34 0.99 -1.25 -4.01 117.46 109.32 1lor n PHE 71 Ca 0.31 -0.15 -0.33 0.00 -0.00 0.00 0.00 57.45 57.28 1lor n PHE 71 Cb 0.44 -0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.84 1lor n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1lor n LYS 72 N 1.03 -1.00 -1.67 -1.08 4.76 -0.88 -4.70 118.16 114.62 1lor n LYS 72 Ca 0.13 0.11 -0.48 0.00 -2.87 0.00 0.00 58.31 55.20 1lor n LYS 72 Cb 0.47 -3.49 -0.05 0.00 -1.84 0.00 0.00 35.03 30.12 1lor n LYS 72 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1lor n VAL 73 N -4.65 0.31 -2.70 -0.18 0.31 -0.96 -4.43 118.33 106.04 1lor n VAL 73 Ca -0.30 -0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 63.91 1lor n VAL 73 Cb 0.68 -1.69 0.07 0.00 -0.91 0.00 0.00 33.84 31.99 1lor n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lor n ALA 74 N 5.12 2.49 -4.02 3.52 0.00 -1.26 -0.91 120.51 125.45 1lor n ALA 74 Ca 0.20 -2.23 -0.07 0.00 0.00 0.00 0.00 53.44 51.35 1lor n ALA 74 Cb 0.29 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1lor n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1lor n ASP 75 N -0.46 2.07 -4.75 0.00 -0.08 -1.26 -4.97 116.55 107.10 1lor n ASP 75 Ca 0.02 -1.46 -0.30 0.00 -1.51 0.00 0.00 54.79 51.54 1lor n ASP 75 Cb 0.83 0.06 0.12 0.00 2.34 0.00 0.00 41.12 44.47 1lor n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1lor s ILE 76 N -1.19 2.89 0.19 5.18 -4.36 -1.26 -4.73 121.20 117.92 1lor s ILE 76 Ca 0.02 0.29 -0.14 0.00 -0.26 0.00 0.00 60.65 60.55 1lor s ILE 76 Cb -0.00 -2.86 0.14 0.00 1.25 0.00 0.00 42.46 41.00 1lor s ILE 76 CO 0.01 -0.38 1.67 -0.65 0.24 0.00 0.00 174.94 175.83 1lor h PRO 77 N -1.34 0.07 -0.98 0.37 0.11 -1.88 -0.90 132.00 127.45 1lor h PRO 77 Ca -0.48 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1lor h PRO 77 Cb 1.27 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1lor h PRO 77 CO 0.56 0.05 0.65 0.93 -0.21 0.00 0.00 178.00 179.97 1lor h GLU 78 N 0.07 1.28 -0.03 1.05 3.07 -1.95 -0.85 114.58 117.22 1lor h GLU 78 Ca 0.25 -0.08 -0.22 0.00 -0.50 0.00 0.00 59.36 58.81 1lor h GLU 78 Cb 0.39 -0.29 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1lor h GLU 78 CO -0.46 0.85 -0.89 1.15 -1.40 0.00 0.00 179.01 178.25 1lor h THR 79 N 1.32 1.37 -0.98 1.13 2.02 -1.85 -3.01 112.91 112.91 1lor h THR 79 Ca 0.36 -2.30 0.01 0.00 0.77 0.00 0.00 66.41 65.25 1lor h THR 79 Cb -0.13 2.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1lor h THR 79 CO -0.08 0.70 0.65 0.78 0.37 0.00 0.00 175.52 177.93 1lor h ASN 80 N 0.30 1.12 -0.47 4.18 4.21 -0.72 -0.66 115.58 123.54 1lor h ASN 80 Ca -0.07 -0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.42 1lor h ASN 80 Cb 1.52 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 38.41 1lor h ASN 80 CO 0.16 0.81 0.30 -0.08 -1.29 0.00 0.00 177.43 177.33 1lor h GLU 81 N 1.32 0.59 -0.66 0.81 4.22 -1.10 -0.70 114.58 119.06 1lor h GLU 81 Ca 0.36 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.73 1lor h GLU 81 Cb -0.15 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 28.94 1lor h GLU 81 CO -0.08 0.39 0.28 0.87 -2.18 0.00 0.00 179.01 178.29 1lor h LYS 82 N 0.60 0.99 -0.35 1.92 1.57 -1.24 -0.83 116.57 119.23 1lor h LYS 82 Ca 0.18 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1lor h LYS 82 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1lor h LYS 82 CO -0.06 0.82 0.10 0.82 -0.57 0.00 0.00 179.45 180.56 1lor h ILE 83 N 0.94 1.21 -0.64 1.86 2.04 -0.80 -1.97 117.51 120.15 1lor h ILE 83 Ca 0.22 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1lor h ILE 83 Cb 0.19 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1lor h ILE 83 CO -0.02 0.24 0.24 0.00 0.00 0.00 0.00 178.15 178.61 1lor h ARG 85 N 0.91 0.79 -0.39 0.00 2.43 -1.00 -0.34 114.38 116.79 1lor h ARG 85 Ca 0.21 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1lor h ARG 85 Cb 0.24 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1lor h ARG 85 CO -0.01 0.65 -0.07 0.00 -1.51 0.00 0.00 179.97 179.02 1lor h ALA 86 N 1.10 1.15 -0.28 2.80 0.00 -1.15 -0.98 119.26 121.91 1lor h ALA 86 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1lor h ALA 86 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1lor h ALA 86 CO -0.02 0.54 -0.27 1.15 0.00 0.00 0.00 179.25 180.65 1lor h THR 87 N 0.61 1.30 -0.04 0.00 2.02 -0.76 -2.00 112.91 114.04 1lor h THR 87 Ca 0.11 -1.44 -0.16 0.00 0.77 0.00 0.00 66.41 65.70 1lor h THR 87 Cb 0.49 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1lor h THR 87 CO 0.03 0.46 -0.70 -0.26 0.37 0.00 0.00 175.52 175.42 1lor h PHE 88 N 0.41 0.27 -0.22 3.16 0.04 -1.00 -2.74 116.94 116.86 1lor h PHE 88 Ca 0.04 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1lor h PHE 88 Cb 0.84 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1lor h PHE 88 CO 0.07 0.83 0.03 -0.22 -0.60 0.00 0.00 178.31 178.42 1lor h LYS 89 N 0.13 0.31 0.00 1.51 3.64 -1.08 -0.44 116.57 120.64 1lor h LYS 89 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1lor h LYS 89 Cb 1.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1lor h LYS 89 CO 0.11 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 1lor n ALA 90 N -2.49 2.21 0.00 5.00 0.00 -0.76 -4.89 120.51 119.57 1lor n ALA 90 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1lor n ALA 90 Cb 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1lor n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lor n GLY 91 N 0.58 0.66 3.77 0.00 0.00 -0.17 -3.56 105.19 106.46 1lor n GLY 91 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1lor n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lor s ALA 92 N -2.00 3.28 0.01 4.61 0.00 -1.08 -4.88 121.76 121.71 1lor s ALA 92 Ca 0.00 1.28 0.11 0.00 0.00 0.00 0.00 51.96 53.35 1lor s ALA 92 Cb 0.00 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 1lor s ALA 92 CO 0.00 -0.88 1.17 -0.44 0.00 0.00 0.00 175.76 175.61 1lor h ASP 93 N 2.68 0.00 -5.14 0.00 3.32 -1.42 -3.43 116.42 112.43 1lor h ASP 93 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 1lor h ASP 93 Cb 1.25 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 1lor h ASP 93 CO 0.63 0.86 -0.11 0.00 -1.72 0.00 0.00 179.24 178.89 1lor s ALA 94 N -2.76 -0.63 0.00 3.45 0.00 -1.13 -2.38 121.76 118.31 1lor s ALA 94 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1lor s ALA 94 Cb 0.09 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 1lor s ALA 94 CO 0.80 -0.71 -0.06 -1.50 0.00 0.00 0.00 175.76 174.29 1lor s ILE 95 N -3.89 0.48 -0.13 0.00 2.07 -0.66 -0.59 121.20 118.48 1lor s ILE 95 Ca 0.10 -0.41 -0.16 0.00 -1.41 0.00 0.00 60.65 58.77 1lor s ILE 95 Cb 0.01 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 1lor s ILE 95 CO -0.04 0.04 0.39 -0.63 -1.91 0.00 0.00 174.94 172.79 1lor s ILE 96 N -0.37 5.23 -0.04 2.00 1.01 -0.57 -0.90 121.20 127.57 1lor s ILE 96 Ca 0.00 0.77 0.06 0.00 0.00 0.00 0.00 60.65 61.48 1lor s ILE 96 Cb -0.04 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1lor s ILE 96 CO -0.00 0.36 -0.21 -0.69 0.00 0.00 0.00 174.94 174.40 1lor s VAL 97 N 0.50 1.68 0.32 2.92 1.01 0.13 -2.07 120.40 124.89 1lor s VAL 97 Ca 0.22 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 1lor s VAL 97 Cb -0.14 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 1lor s VAL 97 CO 0.08 0.48 1.09 -1.00 0.00 0.00 0.00 175.10 175.74 1lor s HIS 98 N -0.23 3.47 -0.24 5.22 3.76 -0.09 -0.79 115.29 126.39 1lor s HIS 98 Ca 0.01 1.68 0.22 0.00 -0.15 0.00 0.00 55.06 56.82 1lor s HIS 98 Cb -0.11 -3.24 -0.14 0.00 1.11 0.00 0.00 32.58 30.20 1lor s HIS 98 CO 0.01 -0.60 0.79 0.41 -0.85 0.00 0.00 174.74 174.51 1lor n GLY 99 N 0.91 -1.20 0.27 -2.22 0.00 -1.16 -4.40 105.19 97.39 1lor n GLY 99 Ca 0.01 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1lor n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1lor h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.92 -1.20 116.94 110.28 1lor h PHE 100 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1lor h PHE 100 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.10 1lor h PHE 100 CO 0.00 0.04 0.00 -2.30 -2.00 0.00 0.00 178.31 174.05 1lor n PRO 101 N -4.14 0.28 0.00 6.09 -0.02 -1.26 -4.96 135.00 130.98 1lor n PRO 101 Ca -0.03 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1lor n PRO 101 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1lor n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lor n GLY 102 N -0.06 2.15 0.33 -1.23 0.00 -0.45 -4.65 105.19 101.27 1lor n GLY 102 Ca 0.08 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 1lor n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lor h ALA 103 N 0.00 1.23 -0.64 4.61 0.00 -1.93 -2.54 119.26 120.00 1lor h ALA 103 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1lor h ALA 103 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1lor h ALA 103 CO 0.00 0.57 0.12 0.38 0.00 0.00 0.00 179.25 180.33 1lor h ASP 104 N 0.99 0.98 -0.38 0.00 2.03 -1.99 0.13 116.42 118.18 1lor h ASP 104 Ca 0.24 -0.21 -0.08 0.00 -0.73 0.00 0.00 57.03 56.24 1lor h ASP 104 Cb 0.14 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1lor h ASP 104 CO -0.03 0.96 -0.04 0.28 -1.03 0.00 0.00 179.24 179.39 1lor h SER 105 N 0.97 0.76 -0.17 4.15 0.02 -1.76 -1.47 113.55 116.04 1lor h SER 105 Ca 0.20 -0.20 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1lor h SER 105 Cb 0.39 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1lor h SER 105 CO 0.01 0.85 -0.50 0.58 -1.14 0.00 0.00 176.83 176.63 1lor h VAL 106 N 0.73 1.32 -0.76 2.27 2.07 -1.05 -3.10 116.25 117.72 1lor h VAL 106 Ca 0.13 -1.75 0.04 0.00 0.82 0.00 0.00 66.70 65.94 1lor h VAL 106 Cb 0.50 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1lor h VAL 106 CO 0.03 0.54 0.50 -0.09 0.02 0.00 0.00 177.57 178.57 1lor h ARG 107 N 0.33 0.90 -0.94 1.57 9.65 -0.53 -0.78 114.38 124.57 1lor h ARG 107 Ca -0.01 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1lor h ARG 107 Cb 1.12 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.45 1lor h ARG 107 CO 0.11 0.59 0.62 0.00 2.80 0.00 0.00 179.97 184.10 1lor h ALA 108 N 1.56 1.35 -0.31 2.80 0.00 -1.20 0.47 119.26 123.92 1lor h ALA 108 Ca 0.30 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1lor h ALA 108 Cb 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1lor h ALA 108 CO -0.09 0.59 -0.32 0.00 0.00 0.00 0.00 179.25 179.44 1lor h LEU 110 N 0.53 0.80 -0.57 0.00 3.38 -0.68 -1.05 115.31 117.72 1lor h LEU 110 Ca 0.05 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1lor h LEU 110 Cb 0.90 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1lor h LEU 110 CO 0.08 0.66 0.03 0.78 0.09 0.00 0.00 178.44 180.08 1lor h ASN 111 N 0.89 0.96 -0.37 -0.43 2.35 -0.82 -0.47 115.58 117.70 1lor h ASN 111 Ca 0.22 -0.29 -0.14 0.00 -0.55 0.00 0.00 56.30 55.54 1lor h ASN 111 Cb 0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1lor h ASN 111 CO -0.03 1.01 -0.30 0.58 -1.65 0.00 0.00 177.43 177.04 1lor h VAL 112 N 0.87 1.27 -0.77 2.81 2.07 -1.23 -1.74 116.25 119.53 1lor h VAL 112 Ca 0.17 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1lor h VAL 112 Cb 0.50 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1lor h VAL 112 CO 0.02 0.49 0.41 0.00 0.02 0.00 0.00 177.57 178.52 1lor h ALA 113 N 0.90 1.27 -0.42 1.67 0.00 -0.92 -0.82 119.26 120.94 1lor h ALA 113 Ca 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1lor h ALA 113 Cb 0.87 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1lor h ALA 113 CO 0.08 0.58 0.01 1.49 0.00 0.00 0.00 179.25 181.42 1lor h GLU 114 N 1.08 0.74 -0.22 0.00 4.81 -0.84 0.55 114.58 120.69 1lor h GLU 114 Ca 0.27 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1lor h GLU 114 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1lor h GLU 114 CO -0.04 0.80 -0.01 1.49 -0.73 0.00 0.00 179.01 180.52 1lor h GLU 115 N 0.58 0.33 -0.25 1.92 4.81 -0.78 -3.06 114.58 118.13 1lor h GLU 115 Ca 0.12 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1lor h GLU 115 Cb 0.46 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1lor h GLU 115 CO 0.02 0.37 0.00 -1.33 -0.73 0.00 0.00 179.01 177.34 1lor n MET 116 N -4.34 2.10 -3.17 1.92 2.81 -0.36 -4.98 117.12 111.10 1lor n MET 116 Ca 0.00 -1.96 -0.16 0.00 -1.81 0.00 0.00 57.70 53.77 1lor n MET 116 Cb 0.21 -1.40 0.05 0.00 -0.71 0.00 0.00 33.22 31.36 1lor n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lor n GLY 117 N 1.13 -0.08 1.85 3.03 0.00 -0.06 -5.03 105.19 106.03 1lor n GLY 117 Ca 0.15 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1lor n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lor n ARG 118 N -3.49 1.15 -4.30 1.61 5.12 -0.02 -5.04 116.66 111.70 1lor n ARG 118 Ca -0.01 -1.89 -0.22 0.00 -1.93 0.00 0.00 57.85 53.81 1lor n ARG 118 Cb 0.55 0.68 -0.12 0.00 -1.16 0.00 0.00 32.46 32.41 1lor n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lor s GLU 119 N -2.91 1.17 -0.10 5.56 2.02 -1.00 -4.51 118.70 118.93 1lor s GLU 119 Ca 0.04 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 53.76 1lor s GLU 119 Cb 0.00 -1.27 -0.02 0.00 0.10 0.00 0.00 34.13 32.95 1lor s GLU 119 CO 0.03 0.27 -0.13 0.08 0.02 0.00 0.00 175.26 175.52 1lor s VAL 120 N -1.74 3.07 -0.17 2.63 1.01 -1.26 -1.66 120.40 122.27 1lor s VAL 120 Ca 0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1lor s VAL 120 Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1lor s VAL 120 CO 0.05 0.55 -0.01 -0.36 0.00 0.00 0.00 175.10 175.34 1lor s PHE 121 N -0.11 3.08 -0.26 5.22 0.40 -0.08 -4.19 117.98 122.03 1lor s PHE 121 Ca -0.01 -0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 55.93 1lor s PHE 121 Cb -0.14 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1lor s PHE 121 CO 0.04 -0.04 0.30 -1.17 0.70 0.00 0.00 175.22 175.05 1lor s LEU 122 N 0.50 4.05 -0.23 -0.37 2.96 -0.01 -0.69 118.68 124.90 1lor s LEU 122 Ca -0.01 0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.84 1lor s LEU 122 Cb -0.14 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 1lor s LEU 122 CO 0.02 -0.11 0.91 -0.22 -1.32 0.00 0.00 176.35 175.63 1lor s LEU 123 N 1.82 4.10 0.00 -0.68 2.96 0.03 -1.16 118.68 125.76 1lor s LEU 123 Ca 0.12 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1lor s LEU 123 Cb -0.16 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1lor s LEU 123 CO 0.10 -0.56 0.00 0.35 -1.32 0.00 0.00 176.35 174.92 1lor n THR 124 N 5.20 0.00 -3.54 3.68 -2.24 -0.83 -2.97 114.28 113.59 1lor n THR 124 Ca 0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 1lor n THR 124 Cb 0.47 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1lor n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1lor s GLU 125 N 0.52 3.82 0.47 -0.78 2.12 -1.26 -4.86 118.70 118.73 1lor s GLU 125 Ca 0.00 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.60 1lor s GLU 125 Cb 0.00 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.31 1lor s GLU 125 CO 0.00 0.61 0.70 -1.64 -0.54 0.00 0.00 175.26 174.39 1lor s MET 126 N -1.59 3.06 0.18 4.30 -1.94 -1.26 -3.59 119.30 118.45 1lor s MET 126 Ca 0.30 -0.41 0.23 0.00 -1.71 0.00 0.00 55.69 54.10 1lor s MET 126 Cb -0.15 -2.52 0.10 0.00 2.01 0.00 0.00 34.83 34.28 1lor s MET 126 CO 0.16 -0.33 1.13 0.66 -0.01 0.00 0.00 175.02 176.64 1lor h SER 127 N 0.32 0.00 -4.27 3.03 4.64 -1.93 -3.44 113.55 111.90 1lor h SER 127 Ca -0.46 -0.08 -0.49 0.00 -0.47 0.00 0.00 61.79 60.29 1lor h SER 127 Cb 1.25 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.41 1lor h SER 127 CO 0.58 0.04 0.36 -1.38 -0.87 0.00 0.00 176.83 175.56 1lor s HIS 128 N -3.30 3.39 0.24 4.77 -3.43 -1.26 -4.73 115.29 110.97 1lor s HIS 128 Ca 0.02 1.02 -0.04 0.00 -0.80 0.00 0.00 55.06 55.25 1lor s HIS 128 Cb 0.11 -2.91 0.42 0.00 -1.43 0.00 0.00 32.58 28.77 1lor s HIS 128 CO 0.77 -0.98 1.76 -1.35 -2.00 0.00 0.00 174.74 172.94 1lor h PRO 129 N -0.46 0.55 0.00 -0.38 0.11 -2.00 -1.56 132.00 128.27 1lor h PRO 129 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1lor h PRO 129 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1lor h PRO 129 CO 0.63 0.37 0.04 0.78 -0.21 0.00 0.00 178.00 179.60 1lor h GLY 130 N 0.57 0.00 2.00 -0.55 0.00 -1.97 -2.01 103.07 101.11 1lor h GLY 130 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1lor h GLY 130 CO -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.19 1lor h ALA 131 N 1.92 1.21 0.00 3.60 0.00 -1.58 -1.76 119.26 122.64 1lor h ALA 131 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1lor h ALA 131 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1lor h ALA 131 CO 0.00 0.03 -0.02 0.93 0.00 0.00 0.00 179.25 180.18 1lor h GLU 132 N 0.00 0.00 -0.04 0.00 5.08 -1.55 -0.23 114.58 117.84 1lor h GLU 132 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1lor h GLU 132 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1lor h GLU 132 CO 0.00 0.02 0.01 1.98 -1.00 0.00 0.00 179.01 180.02 1lor h MET 133 N 0.00 0.07 0.00 2.33 4.05 -1.53 -3.41 114.93 116.43 1lor h MET 133 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1lor h MET 133 Cb 0.55 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1lor h MET 133 CO 0.00 0.31 -0.35 1.19 0.23 0.00 0.00 176.91 178.29 1lor n PHE 134 N -4.92 0.00 -0.09 1.39 3.01 -1.25 -4.89 117.46 110.72 1lor n PHE 134 Ca -0.07 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.28 1lor n PHE 134 Cb 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1lor n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1lor h ILE 135 N 0.00 1.23 -0.71 4.37 2.04 -1.78 -3.15 117.51 119.51 1lor h ILE 135 Ca 0.00 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.18 1lor h ILE 135 Cb 0.35 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 1lor h ILE 135 CO 0.00 0.25 0.32 -0.61 0.00 0.00 0.00 178.15 178.12 1lor h GLN 136 N 0.27 0.51 0.00 2.37 4.15 -1.28 0.35 115.11 121.48 1lor h GLN 136 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1lor h GLN 136 Cb 0.33 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1lor h GLN 136 CO 0.01 0.34 0.00 0.78 -1.93 0.00 0.00 178.83 178.02 1lor h GLY 137 N 0.53 0.00 -0.03 2.39 0.00 -1.81 -2.55 103.07 101.60 1lor h GLY 137 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1lor h GLY 137 CO -0.32 0.00 -0.68 0.00 0.00 0.00 0.00 176.54 175.55 1lor n ALA 138 N -2.06 3.88 -0.24 3.60 0.00 -0.48 -4.73 120.51 120.50 1lor n ALA 138 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.01 1lor n ALA 138 Cb 0.18 -0.53 0.11 0.00 0.00 0.00 0.00 19.45 19.21 1lor n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lor h ALA 139 N 2.10 0.93 -0.73 0.00 0.00 -0.54 0.46 119.26 121.49 1lor h ALA 139 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1lor h ALA 139 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1lor h ALA 139 CO 0.00 0.02 0.37 -0.44 0.00 0.00 0.00 179.25 179.20 1lor h ASP 140 N 0.66 0.94 -0.25 0.00 5.19 -1.85 -0.43 116.42 120.68 1lor h ASP 140 Ca 0.32 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.50 1lor h ASP 140 Cb 0.25 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1lor h ASP 140 CO -0.21 0.79 -0.24 -0.08 -3.12 0.00 0.00 179.24 176.38 1lor h GLU 141 N 1.01 0.73 -0.64 3.56 4.81 -1.73 -0.77 114.58 121.55 1lor h GLU 141 Ca 0.25 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1lor h GLU 141 Cb 0.09 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1lor h GLU 141 CO -0.04 0.90 0.27 0.82 -0.73 0.00 0.00 179.01 180.23 1lor h ILE 142 N 0.64 1.23 -0.59 2.32 2.04 -0.49 -0.17 117.51 122.49 1lor h ILE 142 Ca 0.09 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1lor h ILE 142 Cb 0.74 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1lor h ILE 142 CO 0.06 0.28 0.19 0.00 0.00 0.00 0.00 178.15 178.67 1lor h ALA 143 N 1.11 0.77 -0.65 1.87 0.00 -0.79 -1.13 119.26 120.46 1lor h ALA 143 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1lor h ALA 143 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1lor h ALA 143 CO -0.02 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.89 1lor h ARG 144 N 0.84 0.97 -0.65 0.00 3.08 -0.85 -1.56 114.38 116.20 1lor h ARG 144 Ca 0.19 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1lor h ARG 144 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1lor h ARG 144 CO -0.01 0.82 0.42 1.98 -1.07 0.00 0.00 179.97 182.12 1lor h MET 145 N 0.94 0.86 -0.52 0.04 4.05 -0.64 -0.66 114.93 119.00 1lor h MET 145 Ca 0.21 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 1lor h MET 145 Cb 0.24 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1lor h MET 145 CO -0.01 0.58 0.30 0.78 0.23 0.00 0.00 176.91 178.79 1lor h GLY 146 N 0.88 0.74 1.00 1.39 0.00 -0.49 -0.20 103.07 106.40 1lor h GLY 146 Ca 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1lor h GLY 146 CO -0.05 0.17 0.35 -2.08 0.00 0.00 0.00 176.54 174.93 1lor h VAL 147 N 0.59 1.14 -0.06 4.60 2.07 -0.76 0.38 116.25 124.20 1lor h VAL 147 Ca 0.22 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1lor h VAL 147 Cb 0.06 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1lor h VAL 147 CO -0.12 0.13 -0.18 0.44 0.02 0.00 0.00 177.57 177.87 1lor h ASP 148 N 0.72 0.10 0.38 0.57 3.32 -0.59 -2.14 116.42 118.78 1lor h ASP 148 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1lor h ASP 148 Cb -0.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1lor h ASP 148 CO -0.04 0.28 -0.18 0.18 -1.72 0.00 0.00 179.24 177.76 1lor n LEU 149 N -4.28 0.59 0.00 1.55 4.77 -0.13 -4.93 117.00 114.56 1lor n LEU 149 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1lor n LEU 149 Cb 0.27 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1lor n LEU 149 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1lor n GLY 150 N 1.33 0.74 3.76 -0.72 0.00 -0.65 -5.04 105.19 104.61 1lor n GLY 150 Ca 0.13 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1lor n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lor s VAL 151 N -2.00 2.64 -0.05 1.61 1.01 0.03 -4.93 120.40 118.72 1lor s VAL 151 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1lor s VAL 151 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1lor s VAL 151 CO 0.00 0.11 0.43 0.29 0.00 0.00 0.00 175.10 175.94 1lor n LYS 152 N 1.66 0.34 -4.55 2.72 4.76 -1.26 -4.58 118.16 117.24 1lor n LYS 152 Ca 0.04 -0.44 -0.24 0.00 -2.87 0.00 0.00 58.31 54.80 1lor n LYS 152 Cb 0.41 -0.93 -0.17 0.00 -1.84 0.00 0.00 35.03 32.50 1lor n LYS 152 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1lor s ASN 153 N -0.20 1.70 0.09 4.39 0.01 -1.26 -0.66 114.94 119.01 1lor s ASN 153 Ca 0.00 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 1lor s ASN 153 Cb 0.00 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.83 1lor s ASN 153 CO 0.01 0.03 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.25 1lor s TYR 154 N 0.68 0.85 -0.07 2.20 1.51 0.63 -0.82 117.35 122.32 1lor s TYR 154 Ca -0.14 -0.91 0.04 0.00 -1.01 0.00 0.00 57.07 55.05 1lor s TYR 154 Cb -0.16 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1lor s TYR 154 CO 0.03 -0.17 -0.18 0.08 -1.11 0.00 0.00 175.55 174.21 1lor s VAL 155 N -3.53 1.57 0.05 0.71 1.01 -0.31 -1.02 120.40 118.89 1lor s VAL 155 Ca 0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1lor s VAL 155 Cb 0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1lor s VAL 155 CO -0.05 0.45 0.00 -0.83 0.00 0.00 0.00 175.10 174.67 1lor s GLY 156 N 0.32 0.41 -0.09 4.51 0.00 -0.85 -1.96 107.32 109.66 1lor s GLY 156 Ca -0.12 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.20 1lor s GLY 156 CO 0.05 -1.22 1.04 2.56 0.00 0.00 0.00 173.10 175.52 1lor s PRO 157 N -3.81 4.42 0.35 2.90 0.04 -1.24 -3.70 135.00 133.97 1lor s PRO 157 Ca 0.06 1.44 0.14 0.00 0.04 0.00 0.00 61.00 62.68 1lor s PRO 157 Cb 0.07 -3.53 0.64 0.00 0.04 0.00 0.00 34.50 31.71 1lor s PRO 157 CO -0.10 -0.31 1.75 1.03 0.04 0.00 0.00 177.00 179.41 1lor h SER 158 N 7.12 0.00 0.61 6.66 0.87 -1.44 -2.88 113.55 124.49 1lor h SER 158 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1lor h SER 158 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1lor h SER 158 CO 0.85 0.44 0.00 0.35 -0.53 0.00 0.00 176.83 177.94 1lor n THR 159 N -3.85 0.92 -3.46 2.23 -2.24 -1.26 -3.95 114.28 102.67 1lor n THR 159 Ca -0.01 0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.76 1lor n THR 159 Cb 0.49 -1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 1lor n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lor n ARG 160 N -1.97 0.51 0.26 -0.78 1.74 -1.09 -4.97 116.66 110.37 1lor n ARG 160 Ca 0.02 -3.41 0.14 0.00 -0.77 0.00 0.00 57.85 53.84 1lor n ARG 160 Cb 0.20 -1.75 0.83 0.00 -1.02 0.00 0.00 32.46 30.72 1lor n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1lor h PRO 161 N 5.47 0.00 -0.09 5.56 0.11 -1.73 0.14 132.00 141.46 1lor h PRO 161 Ca 0.24 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 1lor h PRO 161 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1lor h PRO 161 CO 0.44 0.00 -0.42 1.05 -0.21 0.00 0.00 178.00 178.85 1lor h GLU 162 N 0.00 0.20 0.05 1.05 9.09 -1.94 0.35 114.58 123.38 1lor h GLU 162 Ca 0.03 -0.10 -0.25 0.00 0.05 0.00 0.00 59.36 59.09 1lor h GLU 162 Cb 0.14 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1lor h GLU 162 CO -0.00 0.59 -1.06 0.00 0.05 0.00 0.00 179.01 178.59 1lor h ARG 163 N 0.17 0.46 -0.55 1.06 2.47 -1.38 -2.52 114.38 114.09 1lor h ARG 163 Ca 0.01 -0.56 -0.04 0.00 -1.26 0.00 0.00 59.98 58.14 1lor h ARG 163 Cb 0.82 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 29.29 1lor h ARG 163 CO 0.06 1.20 0.18 1.25 0.56 0.00 0.00 179.97 183.23 1lor h LEU 164 N 0.23 0.75 -0.18 3.04 5.85 -0.90 0.60 115.31 124.69 1lor h LEU 164 Ca -0.12 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1lor h LEU 164 Cb 1.72 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1lor h LEU 164 CO 0.19 0.71 0.04 -1.28 -0.34 0.00 0.00 178.44 177.76 1lor h SER 165 N 0.80 0.28 -0.84 1.25 0.87 -0.85 -0.26 113.55 114.81 1lor h SER 165 Ca 0.18 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1lor h SER 165 Cb 0.22 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1lor h SER 165 CO -0.01 0.44 0.41 -0.09 -0.53 0.00 0.00 176.83 177.05 1lor h ARG 166 N 0.11 1.21 -0.57 2.24 9.65 -1.06 -0.58 114.38 125.38 1lor h ARG 166 Ca 0.06 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.67 1lor h ARG 166 Cb 0.27 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1lor h ARG 166 CO 0.00 0.92 -0.03 -0.07 2.80 0.00 0.00 179.97 183.59 1lor h LEU 167 N 1.20 0.99 -0.97 3.80 3.38 -0.68 -1.97 115.31 121.06 1lor h LEU 167 Ca 0.29 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1lor h LEU 167 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1lor h LEU 167 CO -0.04 1.06 0.34 -0.09 0.09 0.00 0.00 178.44 179.80 1lor h ARG 168 N 0.91 1.08 -0.82 1.13 9.65 -0.61 -1.31 114.38 124.41 1lor h ARG 168 Ca 0.16 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1lor h ARG 168 Cb 0.58 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 1lor h ARG 168 CO 0.03 0.84 0.49 1.49 2.80 0.00 0.00 179.97 185.62 1lor h GLU 169 N 1.06 1.11 -0.18 0.20 4.81 -0.55 -1.24 114.58 119.80 1lor h GLU 169 Ca 0.26 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1lor h GLU 169 Cb 0.14 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1lor h GLU 169 CO -0.03 0.79 -0.17 0.82 -0.73 0.00 0.00 179.01 179.69 1lor h ILE 170 N 1.12 1.33 0.00 2.32 2.04 -0.87 -3.28 117.51 120.17 1lor h ILE 170 Ca 0.29 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1lor h ILE 170 Cb -0.03 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1lor h ILE 170 CO -0.05 0.40 -0.02 0.16 0.00 0.00 0.00 178.15 178.64 1lor h ILE 171 N 0.09 0.00 0.00 -0.67 3.07 -1.13 -3.48 117.51 115.39 1lor h ILE 171 Ca 0.03 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.90 1lor h ILE 171 Cb 0.71 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1lor h ILE 171 CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 1lor n GLY 172 N 1.28 -0.46 0.21 0.16 0.00 -0.48 -4.26 105.19 101.64 1lor n GLY 172 Ca 0.05 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.48 1lor n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1lor h GLN 173 N 0.00 0.00 0.00 1.61 1.08 -1.93 -3.19 115.11 112.68 1lor h GLN 173 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1lor h GLN 173 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1lor h GLN 173 CO 0.00 0.22 -0.05 -0.44 -0.95 0.00 0.00 178.83 177.61 1lor h ASP 174 N 0.00 0.00 -4.14 1.46 3.32 -1.97 -3.45 116.42 111.64 1lor h ASP 174 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1lor h ASP 174 Cb 0.93 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.53 1lor h ASP 174 CO 0.03 0.05 0.39 -0.44 -1.72 0.00 0.00 179.24 177.55 1lor s SER 175 N -6.20 5.91 -0.20 6.45 0.01 -1.21 -5.02 113.70 113.44 1lor s SER 175 Ca 0.06 1.93 -0.13 0.00 1.31 0.00 0.00 55.95 59.12 1lor s SER 175 Cb 0.06 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 1lor s SER 175 CO 0.67 -1.08 0.26 0.12 0.41 0.00 0.00 173.24 173.62 1lor s PHE 176 N -2.17 3.39 -0.10 2.43 5.36 0.16 -4.98 117.98 122.07 1lor s PHE 176 Ca 0.67 0.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.11 1lor s PHE 176 Cb -0.18 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1lor s PHE 176 CO 0.30 0.14 -0.12 -1.17 -1.46 0.00 0.00 175.22 172.91 1lor s LEU 177 N 0.82 1.54 0.17 6.12 2.96 -1.26 -0.27 118.68 128.75 1lor s LEU 177 Ca 0.14 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1lor s LEU 177 Cb -0.13 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1lor s LEU 177 CO 0.04 -0.03 -0.13 0.27 -1.32 0.00 0.00 176.35 175.19 1lor s ILE 178 N 1.18 3.04 -0.06 6.68 -4.36 -0.19 -0.29 121.20 127.21 1lor s ILE 178 Ca -0.04 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1lor s ILE 178 Cb -0.14 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.13 1lor s ILE 178 CO -0.03 -0.06 0.10 -0.55 0.24 0.00 0.00 174.94 174.64 1lor s SER 179 N -2.65 0.96 0.48 4.36 0.15 -0.56 -2.01 113.70 114.43 1lor s SER 179 Ca 0.23 0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.10 1lor s SER 179 Cb -0.09 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1lor s SER 179 CO 0.14 -0.24 0.67 -2.16 1.20 0.00 0.00 173.24 172.84 1lor s PRO 180 N 2.19 2.74 0.00 5.44 0.04 -1.24 -1.11 135.00 143.05 1lor s PRO 180 Ca 0.04 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.14 1lor s PRO 180 Cb -0.12 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1lor s PRO 180 CO -0.04 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1lor n GLY 181 N -2.09 1.12 3.72 0.56 0.00 -1.26 -1.20 105.19 106.05 1lor n GLY 181 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1lor n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lor s VAL 182 N -2.00 4.99 0.00 1.61 1.01 -1.26 -0.28 120.40 124.48 1lor s VAL 182 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1lor s VAL 182 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1lor s VAL 182 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1lor n GLY 183 N 3.00 1.37 0.30 4.51 0.00 -0.49 -4.49 105.19 109.39 1lor n GLY 183 Ca -0.01 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.55 1lor n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lor h ALA 184 N 0.00 1.24 -0.00 4.61 0.00 -1.90 -0.11 119.26 123.11 1lor h ALA 184 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lor h ALA 184 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1lor h ALA 184 CO 0.00 -0.07 -0.05 1.04 0.00 0.00 0.00 179.25 180.17 1lor n GLN 185 N -4.86 0.65 0.00 0.00 6.02 -1.26 -4.92 117.38 113.02 1lor n GLN 185 Ca 0.16 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1lor n GLN 185 Cb 0.41 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1lor n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lor n GLY 186 N 1.24 1.14 3.77 1.08 0.00 -0.05 -4.94 105.19 107.43 1lor n GLY 186 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1lor n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lor s GLY 187 N -2.12 2.46 -0.16 -0.02 0.00 0.61 -4.74 107.32 103.34 1lor s GLY 187 Ca 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 44.72 45.38 1lor s GLY 187 CO 0.00 1.08 0.04 -0.35 0.00 0.00 0.00 173.10 173.87 1lor s ASP 188 N -2.07 5.48 0.10 1.64 2.15 -1.26 -1.39 116.67 121.31 1lor s ASP 188 Ca 0.71 0.07 -0.32 0.00 0.43 0.00 0.00 52.55 53.44 1lor s ASP 188 Cb -0.23 -1.88 -0.13 0.00 -0.30 0.00 0.00 42.92 40.38 1lor s ASP 188 CO 0.33 0.21 1.60 -0.65 -0.17 0.00 0.00 175.17 176.49 1lor h PRO 189 N 6.42 -0.72 -0.23 4.34 0.11 -1.97 -1.83 132.00 138.11 1lor h PRO 189 Ca -0.38 0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1lor h PRO 189 Cb 1.18 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1lor h PRO 189 CO 0.67 -0.48 0.00 0.78 -0.21 0.00 0.00 178.00 178.76 1lor h GLY 190 N -0.75 0.22 1.08 -0.55 0.00 -1.96 -1.41 103.07 99.71 1lor h GLY 190 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1lor h GLY 190 CO -0.11 -0.04 0.31 0.83 0.00 0.00 0.00 176.54 177.53 1lor h GLU 191 N 0.07 1.16 -0.56 4.80 4.39 -1.99 -2.79 114.58 119.67 1lor h GLU 191 Ca 0.11 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1lor h GLU 191 Cb 0.14 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1lor h GLU 191 CO -0.18 0.94 0.06 1.15 -1.16 0.00 0.00 179.01 179.82 1lor h THR 192 N 1.13 1.25 0.00 1.13 2.02 -1.03 -2.25 112.91 115.16 1lor h THR 192 Ca 0.26 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1lor h THR 192 Cb 0.21 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1lor h THR 192 CO -0.02 0.36 0.00 0.18 0.37 0.00 0.00 175.52 176.41 1lor n LEU 193 N -4.22 0.00 0.19 2.58 4.77 -0.56 -0.64 117.00 119.12 1lor n LEU 193 Ca 0.03 0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.11 1lor n LEU 193 Cb 0.29 -0.04 0.33 0.00 -2.33 0.00 0.00 43.42 41.67 1lor n LEU 193 CO 0.42 -0.01 0.68 0.03 -1.33 0.00 0.00 177.39 177.18 1lor h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.29 -3.38 114.38 116.02 1lor h ARG 194 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1lor h ARG 194 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1lor h ARG 194 CO 0.00 0.36 -1.03 1.19 -1.07 0.00 0.00 179.97 179.42 1lor n PHE 195 N -3.48 0.00 -3.22 3.04 3.01 -0.67 -5.06 117.46 111.08 1lor n PHE 195 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1lor n PHE 195 Cb 0.52 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.93 1lor n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lor s ALA 196 N -2.01 3.53 0.11 4.37 0.00 0.18 -4.93 121.76 123.02 1lor s ALA 196 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.62 1lor s ALA 196 Cb 0.00 -2.44 -0.22 0.00 0.00 0.00 0.00 23.12 20.46 1lor s ALA 196 CO 0.02 0.22 1.25 -0.44 0.00 0.00 0.00 175.76 176.81 1lor h ASP 197 N 1.73 0.03 -5.02 0.00 3.32 -0.97 -3.40 116.42 112.11 1lor h ASP 197 Ca -0.47 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 1lor h ASP 197 Cb 1.19 -0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 1lor h ASP 197 CO 0.66 1.03 -0.32 0.00 -1.72 0.00 0.00 179.24 178.89 1lor s ALA 198 N -2.70 -0.61 0.03 3.45 0.00 -1.13 -4.72 121.76 116.08 1lor s ALA 198 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1lor s ALA 198 Cb 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1lor s ALA 198 CO 0.82 -0.32 -0.03 0.96 0.00 0.00 0.00 175.76 177.20 1lor s ILE 199 N -1.96 3.93 -0.19 0.00 -4.36 -0.12 -1.49 121.20 117.00 1lor s ILE 199 Ca -0.09 -0.79 -0.08 0.00 -0.26 0.00 0.00 60.65 59.42 1lor s ILE 199 Cb -0.03 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 1lor s ILE 199 CO 0.00 0.30 0.08 -0.63 0.24 0.00 0.00 174.94 174.94 1lor s ILE 200 N -1.12 4.99 -0.06 8.37 1.01 -0.27 -0.62 121.20 133.50 1lor s ILE 200 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1lor s ILE 200 Cb -0.11 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.12 1lor s ILE 200 CO 0.12 0.45 -0.04 -0.69 0.00 0.00 0.00 174.94 174.78 1lor s VAL 201 N 0.38 0.59 0.00 2.92 1.01 -0.22 -4.07 120.40 121.02 1lor s VAL 201 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1lor s VAL 201 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1lor s VAL 201 CO -0.00 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1lor n GLY 202 N 4.39 0.25 0.36 4.51 0.00 -1.26 -1.06 105.19 112.37 1lor n GLY 202 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1lor n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lor h ARG 203 N 0.00 0.72 -0.20 1.61 3.08 -1.92 0.06 114.38 117.73 1lor h ARG 203 Ca 0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.07 1lor h ARG 203 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1lor h ARG 203 CO 0.00 0.48 0.21 0.77 -1.07 0.00 0.00 179.97 180.36 1lor h SER 204 N 0.74 0.00 0.00 7.04 0.02 -1.90 -1.12 113.55 118.33 1lor h SER 204 Ca 0.56 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.27 1lor h SER 204 Cb 0.90 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1lor h SER 204 CO -0.34 0.00 -1.75 -0.38 -1.14 0.00 0.00 176.83 173.22 1lor n ILE 205 N -3.87 1.45 0.42 3.27 5.41 -0.21 -4.32 119.36 121.51 1lor n ILE 205 Ca 0.02 -0.12 0.13 0.00 1.00 0.00 0.00 62.75 63.78 1lor n ILE 205 Cb 0.34 -2.06 0.49 0.00 -0.71 0.00 0.00 39.64 37.71 1lor n ILE 205 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 1lor h TYR 206 N -0.93 0.00 -0.02 1.39 -0.00 -1.00 -2.39 116.97 114.02 1lor h TYR 206 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.38 1lor h TYR 206 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 1lor h TYR 206 CO -0.23 0.00 -0.19 1.28 -0.00 0.00 0.00 178.16 179.03 1lor n LEU 207 N -2.40 2.46 -4.76 0.10 4.77 -0.43 -4.99 117.00 111.75 1lor n LEU 207 Ca 0.03 -0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 54.76 1lor n LEU 207 Cb 0.29 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1lor n LEU 207 CO 0.23 0.43 0.79 0.00 -1.33 0.00 0.00 177.39 177.52 1lor s ALA 208 N -2.05 2.50 0.39 -1.18 0.00 -0.90 -4.92 121.76 115.61 1lor s ALA 208 Ca 0.22 0.83 0.11 0.00 0.00 0.00 0.00 51.96 53.11 1lor s ALA 208 Cb 0.18 -3.40 0.81 0.00 0.00 0.00 0.00 23.12 20.71 1lor s ALA 208 CO 0.38 -1.20 1.92 -0.44 0.00 0.00 0.00 175.76 176.42 1lor h ASP 209 N 0.57 0.17 -2.99 0.00 3.45 -1.94 -3.34 116.42 112.35 1lor h ASP 209 Ca -0.49 -0.04 -0.60 0.00 0.43 0.00 0.00 57.03 56.34 1lor h ASP 209 Cb 1.28 -0.04 -0.39 0.00 -0.56 0.00 0.00 39.33 39.61 1lor h ASP 209 CO 0.54 0.35 -0.80 0.21 -1.57 0.00 0.00 179.24 177.97 1lor s ASN 210 N -6.91 3.18 0.26 6.45 3.84 -1.26 -5.01 114.94 115.49 1lor s ASN 210 Ca -0.05 -2.53 -0.01 0.00 0.21 0.00 0.00 52.86 50.48 1lor s ASN 210 Cb 0.15 -0.73 0.53 0.00 -0.55 0.00 0.00 41.25 40.65 1lor s ASN 210 CO 0.73 -0.27 1.76 -0.65 -2.79 0.00 0.00 177.10 175.87 1lor h PRO 211 N 6.69 0.58 -0.81 0.43 0.11 -1.73 -0.47 132.00 136.81 1lor h PRO 211 Ca 0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1lor h PRO 211 Cb 0.94 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 1lor h PRO 211 CO 0.39 0.38 0.41 0.00 -0.21 0.00 0.00 178.00 178.97 1lor h ALA 212 N 1.56 1.04 -0.54 -0.75 0.00 -1.89 0.34 119.26 119.02 1lor h ALA 212 Ca 0.46 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1lor h ALA 212 Cb 0.66 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1lor h ALA 212 CO -0.37 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 1lor h ALA 213 N 1.21 0.84 -0.33 0.00 0.00 -1.64 0.07 119.26 119.42 1lor h ALA 213 Ca 0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1lor h ALA 213 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lor h ALA 213 CO -0.04 0.66 0.10 0.00 0.00 0.00 0.00 179.25 179.97 1lor h ALA 214 N 1.01 0.43 -0.50 0.00 0.00 -0.63 -0.97 119.26 118.61 1lor h ALA 214 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1lor h ALA 214 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1lor h ALA 214 CO 0.04 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.54 1lor h ALA 215 N 0.94 0.65 -0.68 0.00 0.00 -0.73 -1.95 119.26 117.49 1lor h ALA 215 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1lor h ALA 215 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1lor h ALA 215 CO -0.00 0.29 0.29 0.00 0.00 0.00 0.00 179.25 179.83 1lor h ALA 216 N 1.03 1.23 -0.49 0.00 0.00 -0.89 -0.76 119.26 119.39 1lor h ALA 216 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1lor h ALA 216 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1lor h ALA 216 CO -0.01 0.57 0.02 0.78 0.00 0.00 0.00 179.25 180.61 1lor h GLY 217 N 1.05 0.86 0.88 0.00 0.00 -0.84 -0.76 103.07 104.25 1lor h GLY 217 Ca 0.23 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1lor h GLY 217 CO -0.02 0.52 -0.20 -2.22 0.00 0.00 0.00 176.54 174.62 1lor h ILE 218 N 0.75 1.31 -0.06 2.60 2.04 -0.75 -1.49 117.51 121.91 1lor h ILE 218 Ca 0.15 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1lor h ILE 218 Cb 0.43 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1lor h ILE 218 CO 0.02 0.42 -0.05 0.40 0.00 0.00 0.00 178.15 178.94 1lor h ILE 219 N 0.26 1.08 0.23 -0.67 2.04 -0.87 -2.67 117.51 116.91 1lor h ILE 219 Ca 0.04 -0.33 -0.33 0.00 1.00 0.00 0.00 64.86 65.24 1lor h ILE 219 Cb 0.74 1.09 0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1lor h ILE 219 CO 0.05 0.10 -1.42 -0.08 0.00 0.00 0.00 178.15 176.80 1lor h GLU 220 N 0.09 0.56 0.00 2.37 4.81 -1.02 -3.25 114.58 118.14 1lor h GLU 220 Ca 0.02 -0.91 0.00 0.00 -0.13 0.00 0.00 59.36 58.34 1lor h GLU 220 Cb 0.15 0.33 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1lor h GLU 220 CO 0.01 1.43 0.00 -1.13 -0.73 0.00 0.00 179.01 178.59 1lor n SER 221 N -3.75 0.12 -0.06 1.04 3.41 -0.57 -5.10 113.62 108.71 1lor n SER 221 Ca -0.16 0.55 0.01 0.00 -0.26 0.00 0.00 58.87 59.01 1lor n SER 221 Cb 1.08 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1lor n SER 221 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18