#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf0 h TRP 3 N 0.00 0.00 0.00 1.61 4.06 -2.02 -3.24 115.95 116.36 1cf0 h TRP 3 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1cf0 h TRP 3 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1cf0 h TRP 3 CO 0.00 0.73 -0.02 -0.91 -3.56 0.00 0.00 178.44 174.68 1cf0 h ASN 4 N 0.00 0.00 0.73 -3.49 4.21 -1.97 -1.77 115.58 113.30 1cf0 h ASN 4 Ca -0.01 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1cf0 h ASN 4 Cb 1.52 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.71 1cf0 h ASN 4 CO 0.10 0.02 -0.37 0.00 -1.29 0.00 0.00 177.43 175.89 1cf0 h ALA 5 N 1.98 1.06 -0.02 -0.83 0.00 -1.99 -1.09 119.26 118.37 1cf0 h ALA 5 Ca -0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 1cf0 h ALA 5 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cf0 h ALA 5 CO 0.00 0.46 -0.87 1.88 0.00 0.00 0.00 179.25 180.72 1cf0 h TYR 6 N 0.00 0.49 -0.29 0.00 -1.99 -1.49 -1.42 116.97 112.26 1cf0 h TYR 6 Ca -0.00 -0.25 -0.04 0.00 2.00 0.00 0.00 58.73 60.43 1cf0 h TYR 6 Cb 0.83 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1cf0 h TYR 6 CO 0.00 1.05 0.01 0.82 -0.00 0.00 0.00 178.16 180.04 1cf0 h ILE 7 N 0.20 1.25 -0.49 -2.88 1.08 -1.30 -1.52 117.51 113.84 1cf0 h ILE 7 Ca -0.06 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 1cf0 h ILE 7 Cb 1.49 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.48 1cf0 h ILE 7 CO 0.14 0.29 0.23 0.44 -0.69 0.00 0.00 178.15 178.57 1cf0 h ASP 8 N 0.31 0.65 -0.40 1.72 3.32 -1.17 -1.32 116.42 119.53 1cf0 h ASP 8 Ca 0.08 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1cf0 h ASP 8 Cb 0.41 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1cf0 h ASP 8 CO 0.01 0.61 0.22 -1.13 -1.72 0.00 0.00 179.24 177.23 1cf0 h ASN 9 N 0.66 0.36 -0.17 6.45 -1.24 -1.16 -1.30 115.58 119.17 1cf0 h ASN 9 Ca 0.17 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.10 1cf0 h ASN 9 Cb 0.13 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1cf0 h ASN 9 CO -0.02 0.26 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.15 1cf0 h LEU 10 N 0.46 0.55 -0.15 0.34 3.38 -1.00 -3.09 115.31 115.81 1cf0 h LEU 10 Ca 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cf0 h LEU 10 Cb 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1cf0 h LEU 10 CO -0.09 0.73 -0.23 0.23 0.09 0.00 0.00 178.44 179.18 1cf0 n MET 11 N -4.17 0.35 -0.08 1.13 2.81 -0.52 -4.56 117.12 112.08 1cf0 n MET 11 Ca 0.01 -0.15 -0.08 0.00 -1.81 0.00 0.00 57.70 55.67 1cf0 n MET 11 Cb 0.35 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.36 1cf0 n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1cf0 h ALA 12 N 3.30 0.35 0.00 3.04 0.00 -1.15 -3.11 119.26 121.69 1cf0 h ALA 12 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cf0 h ALA 12 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1cf0 h ALA 12 CO 0.00 -0.25 0.00 -0.40 0.00 0.00 0.00 179.25 178.60 1cf0 n ASP 13 N -4.97 0.21 0.00 0.00 5.68 -1.26 -4.91 116.55 111.29 1cf0 n ASP 13 Ca -0.01 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1cf0 n ASP 13 Cb 0.08 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1cf0 n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cf0 n GLY 14 N 0.24 1.07 0.22 6.12 0.00 -1.18 -4.91 105.19 106.75 1cf0 n GLY 14 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1cf0 n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cf0 h THR 15 N 0.00 0.26 -3.15 2.61 1.35 -1.91 -3.46 112.91 108.60 1cf0 h THR 15 Ca 0.00 -1.14 -0.64 0.00 -0.55 0.00 0.00 66.41 64.08 1cf0 h THR 15 Cb 0.00 1.93 -0.08 0.00 -1.73 0.00 0.00 68.15 68.27 1cf0 h THR 15 CO 0.00 0.13 -0.59 0.00 -0.25 0.00 0.00 175.52 174.81 1cf0 n GLN 17 N 0.48 3.00 -3.74 0.00 10.64 -0.38 -4.77 117.38 122.60 1cf0 n GLN 17 Ca -0.08 -0.02 -0.13 0.00 -1.83 0.00 0.00 57.00 54.93 1cf0 n GLN 17 Cb 0.52 -0.94 -0.08 0.00 -0.86 0.00 0.00 30.24 28.87 1cf0 n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1cf0 s ASP 18 N -2.06 -0.19 -0.22 2.61 -1.08 -1.21 -4.99 116.67 109.52 1cf0 s ASP 18 Ca 0.00 0.01 -0.27 0.00 -0.52 0.00 0.00 52.55 51.78 1cf0 s ASP 18 Cb 0.04 0.34 0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1cf0 s ASP 18 CO 0.26 -0.52 0.78 0.00 0.52 0.00 0.00 175.17 176.21 1cf0 s ALA 19 N -1.80 -1.82 0.09 3.66 0.00 -1.26 -1.96 121.76 118.67 1cf0 s ALA 19 Ca -0.10 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 1cf0 s ALA 19 Cb -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1cf0 s ALA 19 CO 0.02 -0.33 0.38 0.00 0.00 0.00 0.00 175.76 175.83 1cf0 s ALA 20 N -0.07 -0.89 -0.19 0.00 0.00 -0.21 -2.84 121.76 117.56 1cf0 s ALA 20 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1cf0 s ALA 20 Cb -0.04 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.67 1cf0 s ALA 20 CO 0.02 -0.56 -0.04 0.42 0.00 0.00 0.00 175.76 175.60 1cf0 s ILE 21 N -3.28 1.17 -0.09 0.00 1.01 0.49 -1.18 121.20 119.32 1cf0 s ILE 21 Ca -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1cf0 s ILE 21 Cb 0.01 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1cf0 s ILE 21 CO -0.08 0.02 -0.16 -0.69 0.00 0.00 0.00 174.94 174.03 1cf0 s VAL 22 N 1.59 2.81 -0.29 2.92 1.01 -0.02 -0.37 120.40 128.05 1cf0 s VAL 22 Ca -0.01 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1cf0 s VAL 22 Cb -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1cf0 s VAL 22 CO -0.07 0.56 0.35 -0.83 0.00 0.00 0.00 175.10 175.10 1cf0 s GLY 23 N -0.10 1.89 -0.07 4.51 0.00 -0.43 0.62 107.32 113.74 1cf0 s GLY 23 Ca -0.03 -0.93 0.21 0.00 0.00 0.00 0.00 44.72 43.97 1cf0 s GLY 23 CO 0.04 0.94 0.39 1.58 0.00 0.00 0.00 173.10 176.05 1cf0 n TYR 24 N 5.31 0.03 -1.49 1.90 4.11 -1.24 -1.46 117.16 124.31 1cf0 n TYR 24 Ca -0.09 0.01 -0.32 0.00 -0.00 0.00 0.00 57.90 57.49 1cf0 n TYR 24 Cb 0.51 -0.64 0.08 0.00 -0.00 0.00 0.00 39.34 39.28 1cf0 n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1cf0 s LYS 25 N -3.24 2.41 2.75 -3.48 -0.14 -1.26 -4.29 119.74 112.48 1cf0 s LYS 25 Ca -0.08 1.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.92 1cf0 s LYS 25 Cb 0.12 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 1cf0 s LYS 25 CO 0.89 -1.55 0.00 -0.25 -0.76 0.00 0.00 175.35 173.67 1cf0 n ASP 26 N -2.90 0.00 -4.27 2.83 8.00 -1.26 -3.85 116.55 115.10 1cf0 n ASP 26 Ca 0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.20 1cf0 n ASP 26 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1cf0 n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1cf0 s SER 27 N -4.00 5.67 0.20 -2.24 0.15 -1.26 -5.07 113.70 107.15 1cf0 s SER 27 Ca 0.00 -1.56 -0.33 0.00 0.70 0.00 0.00 55.95 54.76 1cf0 s SER 27 Cb 0.00 -2.00 -0.13 0.00 -1.71 0.00 0.00 66.02 62.18 1cf0 s SER 27 CO 0.00 -0.57 1.58 -2.65 1.20 0.00 0.00 173.24 172.80 1cf0 n PRO 28 N 4.93 2.31 -3.53 5.44 -0.02 -1.25 -4.87 135.00 138.02 1cf0 n PRO 28 Ca -0.10 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 1cf0 n PRO 28 Cb 0.43 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1cf0 n PRO 28 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1cf0 s SER 29 N 0.79 -0.47 -0.26 2.55 1.04 -0.54 -4.72 113.70 112.11 1cf0 s SER 29 Ca 0.74 0.34 -0.29 0.00 0.48 0.00 0.00 55.95 57.23 1cf0 s SER 29 Cb -0.62 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 1cf0 s SER 29 CO 0.40 -0.55 1.43 -0.69 0.98 0.00 0.00 173.24 174.81 1cf0 s VAL 30 N -1.92 3.97 0.10 5.02 1.01 -1.26 -1.31 120.40 126.01 1cf0 s VAL 30 Ca -0.02 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1cf0 s VAL 30 Cb -0.01 -3.96 -0.23 0.00 0.00 0.00 0.00 36.38 32.18 1cf0 s VAL 30 CO -0.00 -0.38 1.23 -0.50 0.00 0.00 0.00 175.10 175.45 1cf0 h TRP 31 N 9.77 0.50 -1.84 5.22 6.55 -1.06 -3.47 115.95 131.61 1cf0 h TRP 31 Ca -0.29 -0.32 -0.00 0.00 0.95 0.00 0.00 58.89 59.22 1cf0 h TRP 31 Cb 1.12 -0.04 -0.22 0.00 -0.86 0.00 0.00 29.16 29.16 1cf0 h TRP 31 CO 0.89 1.20 0.28 0.00 -1.05 0.00 0.00 178.44 179.75 1cf0 s ALA 32 N -2.92 -1.84 0.36 1.49 0.00 -0.91 -4.82 121.76 113.12 1cf0 s ALA 32 Ca -0.04 1.75 -0.12 0.00 0.00 0.00 0.00 51.96 53.55 1cf0 s ALA 32 Cb 0.08 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.37 1cf0 s ALA 32 CO 0.87 -0.32 0.68 0.00 0.00 0.00 0.00 175.76 176.99 1cf0 s ALA 33 N -0.28 -0.29 -0.36 0.00 0.00 -1.26 -0.38 121.76 119.19 1cf0 s ALA 33 Ca -0.02 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 1cf0 s ALA 33 Cb -0.03 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1cf0 s ALA 33 CO 0.02 -0.93 0.61 0.08 0.00 0.00 0.00 175.76 175.54 1cf0 s VAL 34 N -2.67 4.91 0.35 0.00 1.01 -1.13 -4.99 120.40 117.89 1cf0 s VAL 34 Ca 0.20 0.47 -0.28 0.00 0.00 0.00 0.00 61.98 62.36 1cf0 s VAL 34 Cb -0.04 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1cf0 s VAL 34 CO 0.14 -0.32 1.43 -2.65 0.00 0.00 0.00 175.10 173.69 1cf0 n PRO 35 N 5.99 2.47 -1.00 2.72 -0.02 -1.26 -2.44 135.00 141.47 1cf0 n PRO 35 Ca -0.02 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1cf0 n PRO 35 Cb 0.49 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1cf0 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cf0 n GLY 36 N 0.76 0.60 0.00 -1.23 0.00 -1.26 -5.02 105.19 99.03 1cf0 n GLY 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1cf0 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cf0 n LYS 37 N -2.75 3.75 -0.06 1.61 4.76 -1.02 -5.12 118.16 119.33 1cf0 n LYS 37 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1cf0 n LYS 37 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 1cf0 n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1cf0 n THR 38 N 0.00 1.18 -0.21 -0.18 -1.04 -1.26 -4.50 114.28 108.27 1cf0 n THR 38 Ca 0.00 0.26 0.31 0.00 -2.04 0.00 0.00 64.05 62.57 1cf0 n THR 38 Cb 0.00 -2.23 0.73 0.00 -1.82 0.00 0.00 70.33 67.00 1cf0 n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1cf0 h PHE 39 N -0.83 0.00 0.00 -1.42 0.04 -1.90 0.29 116.94 113.12 1cf0 h PHE 39 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1cf0 h PHE 39 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1cf0 h PHE 39 CO -0.21 0.00 0.00 -0.24 -0.60 0.00 0.00 178.31 177.26 1cf0 h VAL 40 N 0.00 0.00 -0.72 -0.55 3.04 -1.81 -1.67 116.25 114.54 1cf0 h VAL 40 Ca 0.47 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 1cf0 h VAL 40 Cb 1.97 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 1cf0 h VAL 40 CO -0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1cf0 n ASN 41 N -3.06 3.92 -4.71 3.17 4.13 0.09 -4.95 115.26 113.85 1cf0 n ASN 41 Ca -0.03 -2.00 -0.43 0.00 1.68 0.00 0.00 54.58 53.80 1cf0 n ASN 41 Cb 0.08 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 37.83 1cf0 n ASN 41 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1cf0 n ILE 42 N 1.60 1.13 -3.96 2.41 5.41 -0.63 -4.43 119.36 120.89 1cf0 n ILE 42 Ca 0.24 -0.28 -0.26 0.00 1.00 0.00 0.00 62.75 63.45 1cf0 n ILE 42 Cb 0.61 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 1cf0 n ILE 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1cf0 s THR 43 N -0.18 5.24 0.58 1.39 -4.23 -1.26 -4.87 115.64 112.31 1cf0 s THR 43 Ca 0.64 -0.75 0.28 0.00 -1.18 0.00 0.00 61.69 60.68 1cf0 s THR 43 Cb -0.57 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 69.91 1cf0 s THR 43 CO 0.51 -0.12 2.16 -0.65 -0.54 0.00 0.00 174.62 175.98 1cf0 h PRO 44 N 2.06 0.00 -0.17 3.99 0.11 -1.94 -0.37 132.00 135.68 1cf0 h PRO 44 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1cf0 h PRO 44 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1cf0 h PRO 44 CO 0.67 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.47 1cf0 h ALA 45 N 1.87 0.23 -0.66 -0.75 0.00 -1.97 -0.87 119.26 117.12 1cf0 h ALA 45 Ca 0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1cf0 h ALA 45 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1cf0 h ALA 45 CO -0.00 -0.07 0.14 0.93 0.00 0.00 0.00 179.25 180.25 1cf0 h GLU 46 N 0.06 1.05 -0.58 0.00 5.08 -1.45 -1.34 114.58 117.39 1cf0 h GLU 46 Ca 0.05 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1cf0 h GLU 46 Cb 0.37 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1cf0 h GLU 46 CO 0.01 0.93 0.09 0.28 -1.00 0.00 0.00 179.01 179.32 1cf0 h VAL 47 N 0.99 1.25 -0.66 3.13 2.07 -1.23 -1.82 116.25 119.98 1cf0 h VAL 47 Ca 0.21 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1cf0 h VAL 47 Cb 0.37 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1cf0 h VAL 47 CO 0.00 0.35 0.33 1.23 0.02 0.00 0.00 177.57 179.50 1cf0 h GLY 48 N 1.01 1.00 0.84 2.17 0.00 -0.12 -2.41 103.07 105.57 1cf0 h GLY 48 Ca 0.18 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1cf0 h GLY 48 CO 0.01 0.45 -0.17 -2.08 0.00 0.00 0.00 176.54 174.74 1cf0 h VAL 49 N 0.93 1.32 -0.26 4.60 2.07 -0.71 -1.01 116.25 123.19 1cf0 h VAL 49 Ca 0.23 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1cf0 h VAL 49 Cb 0.08 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1cf0 h VAL 49 CO -0.03 0.40 0.17 -0.07 0.02 0.00 0.00 177.57 178.06 1cf0 h LEU 50 N 0.19 0.28 -1.53 2.57 3.38 -1.05 -3.07 115.31 116.09 1cf0 h LEU 50 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1cf0 h LEU 50 Cb 0.70 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1cf0 h LEU 50 CO 0.05 0.20 -0.03 1.33 0.09 0.00 0.00 178.44 180.08 1cf0 n VAL 51 N -4.50 0.00 -1.99 1.22 0.24 -0.93 -4.92 118.33 107.44 1cf0 n VAL 51 Ca 0.01 -0.48 -0.36 0.00 -2.04 0.00 0.00 64.34 61.47 1cf0 n VAL 51 Cb 0.09 1.31 0.03 0.00 -1.47 0.00 0.00 33.84 33.80 1cf0 n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cf0 s GLY 52 N -1.35 2.70 0.43 7.63 0.00 -0.39 -4.92 107.32 111.42 1cf0 s GLY 52 Ca 0.18 0.98 0.24 0.00 0.00 0.00 0.00 44.72 46.12 1cf0 s GLY 52 CO 0.21 1.37 1.73 0.50 0.00 0.00 0.00 173.10 176.91 1cf0 h LYS 53 N 0.83 0.00 -5.91 2.90 6.56 -1.90 -3.41 116.57 115.63 1cf0 h LYS 53 Ca -0.50 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.49 1cf0 h LYS 53 Cb 1.29 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.84 1cf0 h LYS 53 CO 0.55 0.18 0.64 0.34 -2.06 0.00 0.00 179.45 179.10 1cf0 s ASP 54 N -6.15 6.32 -0.32 0.86 2.15 -1.26 -4.89 116.67 113.38 1cf0 s ASP 54 Ca 0.03 -0.40 0.04 0.00 0.43 0.00 0.00 52.55 52.65 1cf0 s ASP 54 Cb 0.08 -2.45 0.52 0.00 -0.30 0.00 0.00 42.92 40.76 1cf0 s ASP 54 CO 0.65 -1.32 1.66 0.54 -0.17 0.00 0.00 175.17 176.52 1cf0 n ARG 55 N 7.73 2.19 0.25 4.34 5.12 -1.26 -4.65 116.66 130.37 1cf0 n ARG 55 Ca 0.02 -2.26 -0.16 0.00 -1.93 0.00 0.00 57.85 53.51 1cf0 n ARG 55 Cb 0.47 -1.91 -0.08 0.00 -1.16 0.00 0.00 32.46 29.79 1cf0 n ARG 55 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1cf0 h SER 56 N 1.04 -0.97 -0.45 0.55 0.02 -1.97 -3.27 113.55 108.50 1cf0 h SER 56 Ca 0.42 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.48 1cf0 h SER 56 Cb 2.30 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 65.14 1cf0 h SER 56 CO 0.77 -0.52 0.30 -1.28 -1.14 0.00 0.00 176.83 174.96 1cf0 h SER 57 N -0.78 0.41 -0.50 3.07 0.87 -1.91 -2.99 113.55 111.72 1cf0 h SER 57 Ca -0.03 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1cf0 h SER 57 Cb 0.68 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 1cf0 h SER 57 CO -0.04 0.29 0.11 -0.26 -0.53 0.00 0.00 176.83 176.39 1cf0 h PHE 58 N 0.48 0.17 -0.16 2.24 -1.00 -1.70 0.50 116.94 117.47 1cf0 h PHE 58 Ca 0.18 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1cf0 h PHE 58 Cb 0.13 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1cf0 h PHE 58 CO -0.00 -0.00 0.00 0.66 -1.61 0.00 0.00 178.31 177.36 1cf0 n TYR 59 N -5.11 0.21 -0.08 -0.55 4.01 -1.14 -1.50 117.16 113.01 1cf0 n TYR 59 Ca 0.06 -0.11 -0.08 0.00 -0.16 0.00 0.00 57.90 57.61 1cf0 n TYR 59 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1cf0 n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1cf0 n VAL 60 N 0.02 1.45 -2.68 -0.72 0.31 0.16 -4.92 118.33 111.95 1cf0 n VAL 60 Ca 0.11 0.16 -0.05 0.00 -0.01 0.00 0.00 64.34 64.55 1cf0 n VAL 60 Cb 0.20 -2.34 0.09 0.00 -0.91 0.00 0.00 33.84 30.88 1cf0 n VAL 60 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1cf0 n ASN 61 N -4.55 -1.58 0.00 4.52 0.23 -0.22 -5.09 115.26 108.57 1cf0 n ASN 61 Ca -0.12 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 1cf0 n ASN 61 Cb 0.38 0.89 0.00 0.00 -2.08 0.00 0.00 39.78 38.96 1cf0 n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cf0 n GLY 62 N -0.77 -0.22 3.57 4.83 0.00 -0.56 -4.91 105.19 107.14 1cf0 n GLY 62 Ca -0.10 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 1cf0 n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cf0 s LEU 63 N 0.00 0.37 0.14 0.99 0.05 -0.82 -4.03 118.68 115.38 1cf0 s LEU 63 Ca 0.00 -0.96 0.09 0.00 0.05 0.00 0.00 54.13 53.31 1cf0 s LEU 63 Cb 0.00 1.71 -0.04 0.00 -2.05 0.00 0.00 46.19 45.81 1cf0 s LEU 63 CO 0.00 -1.14 -0.17 0.42 -0.55 0.00 0.00 176.35 174.91 1cf0 s THR 64 N -3.99 2.85 -0.23 5.48 -4.23 -1.26 0.13 115.64 114.39 1cf0 s THR 64 Ca 0.23 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1cf0 s THR 64 Cb -0.00 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.57 1cf0 s THR 64 CO 0.09 0.04 0.00 -0.76 -0.54 0.00 0.00 174.62 173.45 1cf0 s LEU 65 N -2.33 2.06 -1.84 4.79 1.02 0.80 -4.74 118.68 118.45 1cf0 s LEU 65 Ca 0.19 -1.12 0.00 0.00 0.02 0.00 0.00 54.13 53.22 1cf0 s LEU 65 Cb -0.10 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.18 1cf0 s LEU 65 CO 0.11 -0.29 0.00 0.61 0.02 0.00 0.00 176.35 176.80 1cf0 n GLY 66 N 4.82 -0.07 0.48 -3.19 0.00 -1.26 -1.27 105.19 104.71 1cf0 n GLY 66 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1cf0 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf0 n GLY 67 N -0.92 3.09 3.65 -0.02 0.00 -1.26 -4.81 105.19 104.91 1cf0 n GLY 67 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1cf0 n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cf0 s GLN 68 N -0.88 4.13 0.13 1.61 2.00 -0.39 -4.97 119.66 121.29 1cf0 s GLN 68 Ca 0.00 1.15 -0.30 0.00 -2.00 0.00 0.00 55.36 54.21 1cf0 s GLN 68 Cb 0.00 -3.70 -0.07 0.00 0.80 0.00 0.00 33.01 30.04 1cf0 s GLN 68 CO 0.00 -0.79 1.18 -1.59 -0.50 0.00 0.00 175.29 173.59 1cf0 s LYS 69 N 3.45 4.48 0.13 1.67 -2.85 -1.26 -0.14 119.74 125.22 1cf0 s LYS 69 Ca 0.44 1.80 0.03 0.00 -1.00 0.00 0.00 55.97 57.24 1cf0 s LYS 69 Cb -0.13 -3.29 -0.04 0.00 -2.06 0.00 0.00 37.83 32.30 1cf0 s LYS 69 CO 0.12 -0.13 -0.07 0.00 0.10 0.00 0.00 175.35 175.37 1cf0 s SER 71 N -3.12 4.38 -0.34 0.00 0.01 -0.08 -1.94 113.70 112.61 1cf0 s SER 71 Ca 0.16 -0.16 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 1cf0 s SER 71 Cb 0.04 -1.33 0.01 0.00 0.21 0.00 0.00 66.02 64.96 1cf0 s SER 71 CO -0.01 0.27 0.96 -0.69 0.41 0.00 0.00 173.24 174.18 1cf0 s VAL 72 N -0.27 4.58 -0.15 3.43 1.01 -1.26 -1.42 120.40 126.32 1cf0 s VAL 72 Ca 0.03 1.39 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 1cf0 s VAL 72 Cb -0.13 -4.34 -0.24 0.00 0.00 0.00 0.00 36.38 31.67 1cf0 s VAL 72 CO 0.03 -0.48 0.55 0.40 0.00 0.00 0.00 175.10 175.60 1cf0 h ILE 73 N 5.76 1.37 -2.83 2.22 5.03 -0.00 -3.48 117.51 125.58 1cf0 h ILE 73 Ca -0.22 -2.31 -0.14 0.00 -0.12 0.00 0.00 64.86 62.07 1cf0 h ILE 73 Cb 1.07 2.88 -0.26 0.00 -3.03 0.00 0.00 36.82 37.49 1cf0 h ILE 73 CO 0.99 0.53 -0.32 -0.60 -0.68 0.00 0.00 178.15 178.06 1cf0 s ARG 74 N -2.32 0.38 -0.38 2.37 3.52 -0.72 -4.95 118.95 116.86 1cf0 s ARG 74 Ca -0.22 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 1cf0 s ARG 74 Cb 0.01 0.11 0.11 0.00 -1.56 0.00 0.00 34.95 33.62 1cf0 s ARG 74 CO 0.68 -0.09 0.12 0.34 -0.81 0.00 0.00 175.30 175.54 1cf0 s ASP 75 N 0.62 4.97 -0.07 -2.12 2.15 -1.26 0.61 116.67 121.57 1cf0 s ASP 75 Ca -0.04 -2.13 0.10 0.00 0.43 0.00 0.00 52.55 50.91 1cf0 s ASP 75 Cb -0.05 -1.72 0.15 0.00 -0.30 0.00 0.00 42.92 41.00 1cf0 s ASP 75 CO -0.04 -0.45 1.04 -1.20 -0.17 0.00 0.00 175.17 174.35 1cf0 n SER 76 N 4.36 1.53 -0.22 -0.34 7.64 0.10 -4.86 113.62 121.84 1cf0 n SER 76 Ca 0.01 -2.47 0.01 0.00 1.01 0.00 0.00 58.87 57.43 1cf0 n SER 76 Cb 0.41 -0.27 0.12 0.00 -1.01 0.00 0.00 64.21 63.47 1cf0 n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1cf0 h LEU 77 N 0.00 0.31 0.00 -3.43 7.12 -1.30 -1.97 115.31 116.04 1cf0 h LEU 77 Ca 0.00 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1cf0 h LEU 77 Cb 1.01 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1cf0 h LEU 77 CO 0.00 0.18 -0.37 0.18 -0.13 0.00 0.00 178.44 178.30 1cf0 n LEU 78 N -4.95 0.40 -4.70 2.25 4.32 -1.26 -4.05 117.00 109.00 1cf0 n LEU 78 Ca 0.10 0.18 -0.42 0.00 -0.02 0.00 0.00 56.01 55.85 1cf0 n LEU 78 Cb 0.28 -0.31 -0.03 0.00 -1.62 0.00 0.00 43.42 41.74 1cf0 n LEU 78 CO 0.23 0.06 0.69 -1.58 -1.22 0.00 0.00 177.39 175.57 1cf0 s GLN 79 N -3.02 4.52 0.46 3.23 2.00 -0.78 -4.93 119.66 121.14 1cf0 s GLN 79 Ca 0.11 1.38 -0.24 0.00 -2.00 0.00 0.00 55.36 54.61 1cf0 s GLN 79 Cb 0.17 -3.48 -0.08 0.00 0.80 0.00 0.00 33.01 30.42 1cf0 s GLN 79 CO 0.65 -0.11 1.34 -0.25 -0.50 0.00 0.00 175.29 176.43 1cf0 n ASP 80 N 4.16 2.82 0.00 6.67 9.92 -1.26 -1.43 116.55 137.43 1cf0 n ASP 80 Ca 0.06 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 1cf0 n ASP 80 Cb 0.50 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1cf0 n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cf0 n GLY 81 N 0.73 0.36 1.15 0.44 0.00 -1.26 -4.69 105.19 101.91 1cf0 n GLY 81 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1cf0 n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1cf0 n GLU 82 N -1.61 0.00 -4.10 1.61 4.07 -1.02 -5.06 120.64 114.53 1cf0 n GLU 82 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 1cf0 n GLU 82 Cb 0.09 -0.44 -0.08 0.00 -0.06 0.00 0.00 31.44 30.94 1cf0 n GLU 82 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 1cf0 n PHE 83 N -3.32 -1.08 -3.90 4.31 1.16 -0.52 -4.93 117.46 109.19 1cf0 n PHE 83 Ca 0.00 0.55 -0.09 0.00 -1.87 0.00 0.00 57.45 56.04 1cf0 n PHE 83 Cb 0.14 -2.24 -0.08 0.00 -1.61 0.00 0.00 39.48 35.69 1cf0 n PHE 83 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1cf0 s SER 84 N -3.90 0.16 -0.08 5.98 1.04 -1.12 -1.67 113.70 114.12 1cf0 s SER 84 Ca 0.18 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 1cf0 s SER 84 Cb -0.11 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.34 1cf0 s SER 84 CO 0.88 -0.61 0.15 -0.32 0.98 0.00 0.00 173.24 174.33 1cf0 s MET 85 N -3.18 0.05 -0.10 4.02 -2.45 -0.16 0.01 119.30 117.48 1cf0 s MET 85 Ca -0.00 0.51 -0.19 0.00 -1.25 0.00 0.00 55.69 54.76 1cf0 s MET 85 Cb 0.02 -0.25 -0.04 0.00 1.25 0.00 0.00 34.83 35.81 1cf0 s MET 85 CO -0.07 -0.27 0.50 -0.51 1.05 0.00 0.00 175.02 175.72 1cf0 s ASP 86 N 1.98 6.73 0.32 1.11 1.01 0.20 -1.86 116.67 126.17 1cf0 s ASP 86 Ca -0.00 0.87 0.03 0.00 0.71 0.00 0.00 52.55 54.16 1cf0 s ASP 86 Cb -0.12 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1cf0 s ASP 86 CO -0.06 0.01 0.11 -0.76 0.21 0.00 0.00 175.17 174.69 1cf0 s LEU 87 N 0.50 1.85 -0.16 1.23 1.43 -0.57 0.73 118.68 123.70 1cf0 s LEU 87 Ca 0.27 -1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 1cf0 s LEU 87 Cb -0.16 -0.05 0.07 0.00 0.03 0.00 0.00 46.19 46.09 1cf0 s LEU 87 CO 0.12 -0.80 0.35 -0.60 0.23 0.00 0.00 176.35 175.65 1cf0 s ARG 88 N -3.86 0.27 0.74 1.70 3.00 -0.51 -2.31 118.95 117.98 1cf0 s ARG 88 Ca 0.34 0.84 -0.15 0.00 -1.00 0.00 0.00 55.73 55.76 1cf0 s ARG 88 Cb 0.06 0.10 0.04 0.00 0.00 0.00 0.00 34.95 35.15 1cf0 s ARG 88 CO 0.15 -0.23 1.19 0.95 0.00 0.00 0.00 175.30 177.37 1cf0 s THR 89 N 2.16 2.38 -0.11 4.11 -4.23 -0.46 -0.90 115.64 118.59 1cf0 s THR 89 Ca -0.03 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1cf0 s THR 89 Cb -0.11 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1cf0 s THR 89 CO -0.11 -0.10 0.07 -0.54 -0.54 0.00 0.00 174.62 173.39 1cf0 s LYS 90 N -3.99 3.27 0.12 3.99 1.02 -0.04 -4.52 119.74 119.59 1cf0 s LYS 90 Ca 0.73 -0.28 0.11 0.00 0.02 0.00 0.00 55.97 56.54 1cf0 s LYS 90 Cb -0.28 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1cf0 s LYS 90 CO 0.46 0.70 -0.26 -1.54 -0.92 0.00 0.00 175.35 173.78 1cf0 s SER 91 N -0.83 3.23 -0.18 2.83 1.04 -1.26 -4.82 113.70 113.72 1cf0 s SER 91 Ca 0.13 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.77 1cf0 s SER 91 Cb -0.12 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 1cf0 s SER 91 CO 0.03 0.18 0.06 -0.89 0.98 0.00 0.00 173.24 173.60 1cf0 s THR 92 N -1.03 4.79 0.00 2.02 2.01 -1.26 -4.91 115.64 117.26 1cf0 s THR 92 Ca 0.13 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1cf0 s THR 92 Cb -0.10 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1cf0 s THR 92 CO 0.05 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1cf0 n GLY 93 N 3.43 -1.40 1.83 4.40 0.00 -1.26 -3.61 105.19 108.58 1cf0 n GLY 93 Ca -0.17 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 1cf0 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf0 n GLY 94 N 0.00 3.87 3.78 -0.02 0.00 -1.26 -4.91 105.19 106.65 1cf0 n GLY 94 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1cf0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf0 s ALA 95 N -2.07 3.06 0.86 4.61 0.00 -1.24 -5.00 121.76 121.98 1cf0 s ALA 95 Ca 0.35 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1cf0 s ALA 95 Cb 0.29 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 20.25 1cf0 s ALA 95 CO 0.04 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.41 1cf0 s PRO 96 N -2.60 1.59 0.14 0.00 0.04 -1.26 -4.78 135.00 128.14 1cf0 s PRO 96 Ca 0.59 0.87 0.11 0.00 0.04 0.00 0.00 61.00 62.60 1cf0 s PRO 96 Cb -0.21 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1cf0 s PRO 96 CO 0.26 -2.02 -0.24 0.95 0.04 0.00 0.00 177.00 175.99 1cf0 s THR 97 N -2.96 2.39 0.11 1.26 -4.23 -1.26 -4.76 115.64 106.19 1cf0 s THR 97 Ca 0.63 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1cf0 s THR 97 Cb -0.17 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1cf0 s THR 97 CO 0.56 0.04 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.18 1cf0 s PHE 98 N -1.24 1.39 0.07 3.99 0.08 -1.26 -4.76 117.98 116.24 1cf0 s PHE 98 Ca 0.17 -0.54 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 1cf0 s PHE 98 Cb -0.10 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 1cf0 s PHE 98 CO 0.08 0.13 0.95 -0.80 -0.10 0.00 0.00 175.22 175.48 1cf0 s ASN 99 N -2.35 7.43 0.00 1.36 0.01 -1.26 -1.35 114.94 118.78 1cf0 s ASN 99 Ca 0.07 1.71 0.07 0.00 -0.71 0.00 0.00 52.86 54.00 1cf0 s ASN 99 Cb -0.06 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1cf0 s ASN 99 CO 0.03 -0.12 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.60 1cf0 s VAL 100 N 0.32 1.63 -0.00 1.60 1.01 -0.98 -0.10 120.40 123.88 1cf0 s VAL 100 Ca 0.48 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1cf0 s VAL 100 Cb -0.22 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1cf0 s VAL 100 CO 0.29 0.38 -0.11 -0.89 0.00 0.00 0.00 175.10 174.77 1cf0 s THR 101 N -0.57 0.88 -0.11 3.92 2.01 -0.61 -1.51 115.64 119.64 1cf0 s THR 101 Ca 0.08 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1cf0 s THR 101 Cb -0.08 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1cf0 s THR 101 CO -0.00 0.20 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.33 1cf0 s VAL 102 N -0.35 1.25 0.21 3.82 1.01 -0.78 -1.84 120.40 123.71 1cf0 s VAL 102 Ca 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1cf0 s VAL 102 Cb -0.05 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1cf0 s VAL 102 CO -0.00 0.40 -0.06 0.42 0.00 0.00 0.00 175.10 175.86 1cf0 s THR 103 N 1.40 3.31 -0.03 3.92 -4.23 -0.57 -0.99 115.64 118.45 1cf0 s THR 103 Ca 0.01 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1cf0 s THR 103 Cb -0.13 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.02 1cf0 s THR 103 CO -0.06 -0.21 -0.11 -0.75 -0.54 0.00 0.00 174.62 172.95 1cf0 s LYS 104 N -3.15 1.12 0.00 3.99 2.20 -0.67 -1.00 119.74 122.23 1cf0 s LYS 104 Ca 0.27 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1cf0 s LYS 104 Cb -0.08 -1.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.21 1cf0 s LYS 104 CO 0.17 0.17 0.00 0.25 -0.36 0.00 0.00 175.35 175.58 1cf0 n THR 105 N 3.16 0.00 -0.02 3.43 -2.24 0.10 -4.86 114.28 113.85 1cf0 n THR 105 Ca -0.17 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1cf0 n THR 105 Cb 0.54 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1cf0 n THR 105 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1cf0 h ASP 106 N 0.00 0.92 0.00 3.42 1.82 -1.94 -3.38 116.42 117.27 1cf0 h ASP 106 Ca 0.00 -0.59 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1cf0 h ASP 106 Cb 0.00 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.74 1cf0 h ASP 106 CO 0.00 1.38 0.00 0.29 -1.61 0.00 0.00 179.24 179.30 1cf0 n LYS 107 N -3.94 4.50 -4.27 0.28 4.01 -1.12 -4.93 118.16 112.69 1cf0 n LYS 107 Ca -0.07 -0.13 -0.15 0.00 -0.51 0.00 0.00 58.31 57.46 1cf0 n LYS 107 Cb 0.73 -0.60 -0.10 0.00 -0.51 0.00 0.00 35.03 34.54 1cf0 n LYS 107 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1cf0 s THR 108 N -0.68 1.01 -0.08 -0.18 2.01 -1.23 -3.72 115.64 112.77 1cf0 s THR 108 Ca 0.00 -2.03 0.04 0.00 0.31 0.00 0.00 61.69 60.01 1cf0 s THR 108 Cb 0.00 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 1cf0 s THR 108 CO 0.00 -0.56 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.39 1cf0 s LEU 109 N -3.21 2.01 -0.16 4.42 1.43 0.20 -0.72 118.68 122.65 1cf0 s LEU 109 Ca 0.22 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1cf0 s LEU 109 Cb 0.04 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1cf0 s LEU 109 CO 0.04 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 175.99 1cf0 s VAL 110 N 0.20 3.16 -0.07 -1.59 1.01 -0.17 -0.84 120.40 122.10 1cf0 s VAL 110 Ca -0.12 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1cf0 s VAL 110 Cb -0.16 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1cf0 s VAL 110 CO 0.06 0.49 -0.24 -0.76 0.00 0.00 0.00 175.10 174.66 1cf0 s LEU 111 N 0.71 2.05 -0.03 3.92 1.02 -0.33 -1.51 118.68 124.52 1cf0 s LEU 111 Ca -0.05 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.62 1cf0 s LEU 111 Cb -0.15 -1.33 0.01 0.00 0.02 0.00 0.00 46.19 44.73 1cf0 s LEU 111 CO 0.02 0.21 -0.08 -0.76 0.02 0.00 0.00 176.35 175.77 1cf0 s LEU 112 N -0.02 1.75 -0.16 1.79 1.43 -0.77 -1.05 118.68 121.65 1cf0 s LEU 112 Ca -0.07 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1cf0 s LEU 112 Cb -0.15 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1cf0 s LEU 112 CO 0.05 0.05 -0.20 -0.32 0.23 0.00 0.00 176.35 176.16 1cf0 s MET 113 N 0.26 2.86 0.63 1.70 -2.45 -0.83 -1.58 119.30 119.89 1cf0 s MET 113 Ca -0.04 -0.79 -0.13 0.00 -1.25 0.00 0.00 55.69 53.49 1cf0 s MET 113 Cb -0.09 -2.42 -0.03 0.00 1.25 0.00 0.00 34.83 33.54 1cf0 s MET 113 CO 0.00 -0.14 1.04 0.20 1.05 0.00 0.00 175.02 177.17 1cf0 s GLY 114 N 1.15 1.82 0.70 2.11 0.00 0.86 -1.25 107.32 112.71 1cf0 s GLY 114 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 1cf0 s GLY 114 CO -0.09 0.41 1.05 0.54 0.00 0.00 0.00 173.10 175.02 1cf0 s LYS 115 N -4.72 2.53 0.26 2.90 1.02 -0.25 -4.49 119.74 116.99 1cf0 s LYS 115 Ca 0.58 0.12 -0.31 0.00 0.02 0.00 0.00 55.97 56.38 1cf0 s LYS 115 Cb -0.13 -2.10 -0.13 0.00 -0.52 0.00 0.00 37.83 34.95 1cf0 s LYS 115 CO 0.47 -1.12 1.45 -1.91 -0.92 0.00 0.00 175.35 173.32 1cf0 n GLU 116 N -2.95 2.20 -0.64 1.68 2.13 -1.26 -2.65 120.64 119.15 1cf0 n GLU 116 Ca 0.07 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1cf0 n GLU 116 Cb 0.59 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1cf0 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cf0 n GLY 117 N 2.11 1.30 3.66 8.31 0.00 -1.26 -5.01 105.19 114.30 1cf0 n GLY 117 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1cf0 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cf0 s VAL 118 N -3.47 5.01 0.40 1.61 1.01 -1.08 -5.03 120.40 118.84 1cf0 s VAL 118 Ca 0.00 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 1cf0 s VAL 118 Cb 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1cf0 s VAL 118 CO 0.00 0.10 1.30 -1.38 0.00 0.00 0.00 175.10 175.12 1cf0 s HIS 119 N 1.96 2.84 0.55 5.22 -3.43 -1.26 -4.75 115.29 116.42 1cf0 s HIS 119 Ca 0.29 1.41 0.25 0.00 -0.80 0.00 0.00 55.06 56.21 1cf0 s HIS 119 Cb -0.16 -3.67 1.46 0.00 -1.43 0.00 0.00 32.58 28.78 1cf0 s HIS 119 CO 0.10 -2.06 2.04 0.78 -2.00 0.00 0.00 174.74 173.60 1cf0 h GLY 120 N 2.74 0.00 1.85 -1.38 0.00 -1.96 -0.92 103.07 103.40 1cf0 h GLY 120 Ca -0.50 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1cf0 h GLY 120 CO 0.63 0.00 -0.21 -1.33 0.00 0.00 0.00 176.54 175.63 1cf0 h GLY 121 N 0.00 0.20 0.78 4.60 0.00 -1.99 0.30 103.07 106.96 1cf0 h GLY 121 Ca 0.17 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 1cf0 h GLY 121 CO -0.00 0.12 -0.64 -2.00 0.00 0.00 0.00 176.54 174.02 1cf0 h LEU 122 N 0.17 0.53 -1.01 3.11 6.46 -1.54 -2.47 115.31 120.56 1cf0 h LEU 122 Ca 0.03 -0.79 0.03 0.00 -0.12 0.00 0.00 57.88 57.03 1cf0 h LEU 122 Cb 0.47 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.18 1cf0 h LEU 122 CO 0.03 1.25 0.66 0.40 -0.62 0.00 0.00 178.44 180.17 1cf0 h ILE 123 N -0.14 1.19 -0.40 4.05 1.08 -1.33 -2.40 117.51 119.57 1cf0 h ILE 123 Ca -0.09 -0.44 -0.13 0.00 -0.39 0.00 0.00 64.86 63.81 1cf0 h ILE 123 Cb 1.37 -0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1cf0 h ILE 123 CO 0.13 0.24 -0.27 -1.13 -0.69 0.00 0.00 178.15 176.42 1cf0 h ASN 124 N 1.30 0.88 -0.27 1.72 -0.73 -0.93 -2.63 115.58 114.92 1cf0 h ASN 124 Ca 0.39 -0.35 -0.17 0.00 1.87 0.00 0.00 56.30 58.05 1cf0 h ASN 124 Cb -0.04 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.31 1cf0 h ASN 124 CO -0.12 1.09 -0.48 0.07 -0.37 0.00 0.00 177.43 177.63 1cf0 h LYS 125 N 0.72 0.80 -1.00 6.67 5.09 -1.19 -1.16 116.57 126.50 1cf0 h LYS 125 Ca 0.09 -0.50 0.03 0.00 0.09 0.00 0.00 60.65 60.36 1cf0 h LYS 125 Cb 0.82 0.06 -0.06 0.00 0.10 0.00 0.00 32.23 33.15 1cf0 h LYS 125 CO 0.07 1.13 0.66 -0.22 -2.09 0.00 0.00 179.45 179.00 1cf0 h LYS 126 N 0.55 1.24 -0.03 0.07 3.64 -1.42 0.24 116.57 120.86 1cf0 h LYS 126 Ca 0.01 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1cf0 h LYS 126 Cb 1.09 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1cf0 h LYS 126 CO 0.11 0.82 -0.14 0.00 -2.27 0.00 0.00 179.45 177.96 1cf0 h TYR 128 N -0.44 0.93 -0.30 0.00 3.20 -0.95 -0.03 116.97 119.38 1cf0 h TYR 128 Ca -0.01 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1cf0 h TYR 128 Cb 0.80 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1cf0 h TYR 128 CO 0.15 0.53 -0.24 0.93 -1.64 0.00 0.00 178.16 177.89 1cf0 h GLU 129 N 0.96 0.58 -0.27 1.82 5.08 -0.54 -1.36 114.58 120.85 1cf0 h GLU 129 Ca 0.32 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1cf0 h GLU 129 Cb 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1cf0 h GLU 129 CO -0.12 0.77 -0.13 1.98 -1.00 0.00 0.00 179.01 180.52 1cf0 h MET 130 N 0.51 0.56 -0.56 2.33 4.05 -0.87 -2.86 114.93 118.09 1cf0 h MET 130 Ca 0.07 -0.24 -0.05 0.00 -0.28 0.00 0.00 59.70 59.20 1cf0 h MET 130 Cb 0.68 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 1cf0 h MET 130 CO 0.05 0.80 0.13 0.00 0.23 0.00 0.00 176.91 178.13 1cf0 h ALA 131 N 0.74 1.18 -0.65 0.39 0.00 -0.88 -2.61 119.26 117.43 1cf0 h ALA 131 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1cf0 h ALA 131 Cb 0.64 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1cf0 h ALA 131 CO 0.04 0.56 0.09 0.77 0.00 0.00 0.00 179.25 180.70 1cf0 h SER 132 N 0.83 1.05 -0.24 0.00 0.02 -1.23 -1.63 113.55 112.34 1cf0 h SER 132 Ca 0.18 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1cf0 h SER 132 Cb 0.31 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1cf0 h SER 132 CO -0.00 1.05 0.16 -0.74 -1.14 0.00 0.00 176.83 176.16 1cf0 h HIS 133 N 1.02 0.30 -0.48 3.45 6.17 -1.25 -1.96 115.15 122.40 1cf0 h HIS 133 Ca 0.20 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.25 1cf0 h HIS 133 Cb 0.46 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 1cf0 h HIS 133 CO 0.03 0.19 0.19 -0.07 0.71 0.00 0.00 177.93 178.98 1cf0 h LEU 134 N 0.33 0.67 -1.22 0.26 4.07 -1.39 -3.00 115.31 115.02 1cf0 h LEU 134 Ca 0.09 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.92 1cf0 h LEU 134 Cb -0.04 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 1cf0 h LEU 134 CO -0.02 0.66 0.55 0.03 -1.08 0.00 0.00 178.44 178.58 1cf0 h ARG 135 N 0.64 0.95 0.00 1.13 3.08 -1.06 -0.24 114.38 118.88 1cf0 h ARG 135 Ca 0.16 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1cf0 h ARG 135 Cb 0.21 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1cf0 h ARG 135 CO -0.01 0.63 -0.21 0.00 -1.07 0.00 0.00 179.97 179.30 1cf0 h ARG 136 N 0.98 0.00 -0.56 0.04 3.08 -1.22 -2.73 114.38 113.97 1cf0 h ARG 136 Ca 0.35 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 1cf0 h ARG 136 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1cf0 h ARG 136 CO -0.11 0.21 0.04 0.43 -1.07 0.00 0.00 179.97 179.47 1cf0 n SER 137 N -3.80 5.34 -2.95 7.04 7.64 -0.65 -4.93 113.62 121.31 1cf0 n SER 137 Ca -0.02 -3.01 -0.21 0.00 1.01 0.00 0.00 58.87 56.64 1cf0 n SER 137 Cb 0.31 -0.68 0.04 0.00 -1.01 0.00 0.00 64.21 62.88 1cf0 n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cf0 n GLN 138 N 0.33 -5.17 0.00 1.43 3.00 -1.03 -5.07 117.38 110.87 1cf0 n GLN 138 Ca 0.29 0.85 0.03 0.00 -0.01 0.00 0.00 57.00 58.17 1cf0 n GLN 138 Cb 1.19 -5.63 0.03 0.00 0.00 0.00 0.00 30.24 25.83 1cf0 n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72