#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 -0.58 1.61 4.06 -2.03 -3.00 115.95 116.01 1cf0 h TRP 3 Ca 0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 1cf0 h TRP 3 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1cf0 h TRP 3 CO 0.00 0.01 0.39 -2.95 -3.56 0.00 0.00 178.44 172.32 1cf0 h ASN 4 N 0.00 0.51 0.47 -3.49 -1.07 -1.99 -2.12 115.58 107.89 1cf0 h ASN 4 Ca -0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.30 1cf0 h ASN 4 Cb 0.39 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.51 1cf0 h ASN 4 CO 0.00 0.34 -0.34 0.00 0.07 0.00 0.00 177.43 177.50 1cf0 h ALA 5 N 1.68 1.28 -0.11 4.14 0.00 -1.96 -2.61 119.26 121.67 1cf0 h ALA 5 Ca 0.25 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1cf0 h ALA 5 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cf0 h ALA 5 CO -0.07 0.43 -0.68 1.88 0.00 0.00 0.00 179.25 180.80 1cf0 h TYR 6 N 0.00 0.64 -0.27 0.00 -1.99 -1.57 -0.60 116.97 113.18 1cf0 h TYR 6 Ca -0.00 -0.27 -0.12 0.00 2.00 0.00 0.00 58.73 60.34 1cf0 h TYR 6 Cb 0.67 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 1cf0 h TYR 6 CO 0.00 1.02 -0.29 0.82 -0.00 0.00 0.00 178.16 179.71 1cf0 h ILE 7 N 0.34 1.31 -0.70 -2.88 1.08 -1.56 -1.71 117.51 113.39 1cf0 h ILE 7 Ca -0.02 -1.46 -0.03 0.00 -0.39 0.00 0.00 64.86 62.95 1cf0 h ILE 7 Cb 1.25 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.60 1cf0 h ILE 7 CO 0.12 0.47 0.30 0.44 -0.69 0.00 0.00 178.15 178.79 1cf0 h ASP 8 N 0.41 0.92 0.56 1.72 3.32 -1.45 -1.35 116.42 120.55 1cf0 h ASP 8 Ca 0.04 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1cf0 h ASP 8 Cb 0.86 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.18 1cf0 h ASP 8 CO 0.07 0.81 -0.27 -1.13 -1.72 0.00 0.00 179.24 177.00 1cf0 h ASN 9 N 1.00 -0.64 -0.09 6.45 -0.73 -0.99 0.69 115.58 121.28 1cf0 h ASN 9 Ca 0.24 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1cf0 h ASN 9 Cb 0.16 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.91 1cf0 h ASN 9 CO -0.02 -0.38 0.06 -0.07 -0.37 0.00 0.00 177.43 176.65 1cf0 h LEU 10 N -0.86 0.09 -0.18 0.34 3.38 -1.13 -2.58 115.31 114.37 1cf0 h LEU 10 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1cf0 h LEU 10 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1cf0 h LEU 10 CO 0.13 0.07 -0.65 0.23 0.09 0.00 0.00 178.44 178.30 1cf0 n MET 11 N -4.53 0.25 0.07 1.13 2.81 -0.53 -4.53 117.12 111.81 1cf0 n MET 11 Ca -0.02 -0.18 0.20 0.00 -1.81 0.00 0.00 57.70 55.89 1cf0 n MET 11 Cb 0.09 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.85 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 3.20 2.21 -0.96 3.04 0.00 -0.43 -2.79 119.26 123.53 1cf0 h ALA 12 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1cf0 h ALA 12 Cb 0.53 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.06 1cf0 h ALA 12 CO 0.00 -0.60 0.61 -0.40 0.00 0.00 0.00 179.25 178.87 1cf0 n ASP 13 N -3.98 3.73 0.00 0.00 5.75 -1.26 -4.95 116.55 115.84 1cf0 n ASP 13 Ca 0.07 -3.61 0.00 0.00 -0.01 0.00 0.00 54.79 51.25 1cf0 n ASP 13 Cb 0.57 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1cf0 n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cf0 n GLY 14 N -1.12 0.00 0.07 6.12 0.00 -1.05 -4.72 105.19 104.48 1cf0 n GLY 14 Ca 0.58 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.73 1cf0 n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cf0 n THR 15 N -0.79 0.38 -4.24 2.61 -2.24 -1.26 -4.85 114.28 103.88 1cf0 n THR 15 Ca 0.00 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1cf0 n THR 15 Cb 0.04 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.92 1cf0 n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf0 n GLN 17 N 0.23 0.90 -3.56 0.00 10.64 0.98 -4.68 117.38 121.89 1cf0 n GLN 17 Ca -0.11 -0.65 -0.11 0.00 -1.83 0.00 0.00 57.00 54.29 1cf0 n GLN 17 Cb 0.54 -1.02 -0.05 0.00 -0.86 0.00 0.00 30.24 28.85 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 -0.64 -0.41 -0.10 2.61 -1.08 -1.18 -4.95 116.67 110.92 1cf0 s ASP 18 Ca 0.05 0.41 -0.30 0.00 -0.52 0.00 0.00 52.55 52.19 1cf0 s ASP 18 Cb 0.04 0.35 0.10 0.00 -1.46 0.00 0.00 42.92 41.95 1cf0 s ASP 18 CO 0.09 -0.41 0.86 0.00 0.52 0.00 0.00 175.17 176.23 1cf0 s ALA 19 N -1.33 -1.85 -0.15 3.66 0.00 -1.26 -0.95 121.76 119.88 1cf0 s ALA 19 Ca -0.02 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1cf0 s ALA 19 Cb -0.00 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.89 1cf0 s ALA 19 CO 0.02 -0.37 0.79 0.00 0.00 0.00 0.00 175.76 176.19 1cf0 s ALA 20 N -1.36 -1.82 -0.24 0.00 0.00 -0.56 -2.58 121.76 115.19 1cf0 s ALA 20 Ca -0.05 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1cf0 s ALA 20 Cb -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1cf0 s ALA 20 CO 0.04 -0.34 -0.10 0.42 0.00 0.00 0.00 175.76 175.78 1cf0 s ILE 21 N -0.67 2.50 -0.12 0.00 1.01 -0.53 0.43 121.20 123.83 1cf0 s ILE 21 Ca -0.05 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 59.37 1cf0 s ILE 21 Cb -0.02 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1cf0 s ILE 21 CO 0.05 0.16 -0.15 -0.69 0.00 0.00 0.00 174.94 174.31 1cf0 s VAL 22 N 1.24 2.87 0.10 2.92 1.01 -0.23 -1.19 120.40 127.12 1cf0 s VAL 22 Ca -0.02 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1cf0 s VAL 22 Cb -0.17 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1cf0 s VAL 22 CO -0.06 0.54 0.85 -0.83 0.00 0.00 0.00 175.10 175.59 1cf0 s GLY 23 N 0.24 2.91 -0.00 4.51 0.00 -0.06 -0.89 107.32 114.02 1cf0 s GLY 23 Ca -0.10 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.08 1cf0 s GLY 23 CO 0.06 1.19 0.18 1.58 0.00 0.00 0.00 173.10 176.11 1cf0 n TYR 24 N 2.52 0.00 -2.25 1.90 4.11 -0.54 -1.96 117.16 120.94 1cf0 n TYR 24 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.54 1cf0 n TYR 24 Cb 0.49 -0.02 -0.00 0.00 -0.00 0.00 0.00 39.34 39.82 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 -1.58 3.39 0.62 -3.48 -0.14 -1.26 -4.36 119.74 112.93 1cf0 s LYS 25 Ca 0.01 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.13 1cf0 s LYS 25 Cb 0.03 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 1cf0 s LYS 25 CO 0.19 -0.80 0.00 -3.47 -0.76 0.00 0.00 175.35 170.51 1cf0 n ASP 26 N -1.40 0.00 -3.88 2.83 2.03 -1.26 -3.91 116.55 110.96 1cf0 n ASP 26 Ca 0.11 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 1cf0 n ASP 26 Cb 0.51 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.77 1cf0 n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1cf0 s SER 27 N -4.00 4.34 0.17 1.67 0.01 -1.26 -5.10 113.70 109.53 1cf0 s SER 27 Ca 0.00 -2.08 -0.32 0.00 1.31 0.00 0.00 55.95 54.85 1cf0 s SER 27 Cb 0.00 -1.28 -0.16 0.00 0.21 0.00 0.00 66.02 64.79 1cf0 s SER 27 CO 0.00 -0.37 1.07 -2.65 0.41 0.00 0.00 173.24 171.70 1cf0 n PRO 28 N 4.31 0.98 -3.55 12.44 -0.02 -1.25 -4.87 135.00 143.03 1cf0 n PRO 28 Ca 0.02 0.35 -0.17 0.00 -2.02 0.00 0.00 63.50 61.68 1cf0 n PRO 28 Cb 0.40 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1cf0 n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1cf0 s SER 29 N -0.17 -0.68 -0.36 2.55 0.15 -0.83 -4.73 113.70 109.63 1cf0 s SER 29 Ca 0.72 0.92 -0.28 0.00 0.70 0.00 0.00 55.95 58.00 1cf0 s SER 29 Cb -0.87 0.80 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1cf0 s SER 29 CO 0.54 -0.51 1.05 -0.69 1.20 0.00 0.00 173.24 174.83 1cf0 s VAL 30 N -0.75 4.47 -0.28 4.45 1.01 -1.26 -0.88 120.40 127.15 1cf0 s VAL 30 Ca -0.08 1.53 0.21 0.00 0.00 0.00 0.00 61.98 63.64 1cf0 s VAL 30 Cb -0.01 -4.43 0.11 0.00 0.00 0.00 0.00 36.38 32.04 1cf0 s VAL 30 CO 0.07 -0.59 1.25 -0.50 0.00 0.00 0.00 175.10 175.34 1cf0 h TRP 31 N 8.38 0.00 -1.05 5.22 4.06 -1.52 -3.47 115.95 127.56 1cf0 h TRP 31 Ca -0.21 0.00 0.21 0.00 2.06 0.00 0.00 58.89 60.94 1cf0 h TRP 31 Cb 1.06 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 28.89 1cf0 h TRP 31 CO 0.86 0.13 0.79 0.00 -3.56 0.00 0.00 178.44 176.66 1cf0 s ALA 32 N -3.21 -2.57 0.13 1.49 0.00 -1.20 -4.88 121.76 111.51 1cf0 s ALA 32 Ca 0.02 1.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.76 1cf0 s ALA 32 Cb 0.08 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.26 1cf0 s ALA 32 CO 0.75 -0.26 0.31 0.00 0.00 0.00 0.00 175.76 176.56 1cf0 s ALA 33 N 0.78 -0.48 0.04 0.00 0.00 -1.26 -1.45 121.76 119.39 1cf0 s ALA 33 Ca -0.04 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1cf0 s ALA 33 Cb -0.03 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 1cf0 s ALA 33 CO -0.11 -0.61 1.27 0.08 0.00 0.00 0.00 175.76 176.39 1cf0 s VAL 34 N -3.87 3.88 0.42 0.00 1.01 -1.06 -4.97 120.40 115.80 1cf0 s VAL 34 Ca 0.07 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 1cf0 s VAL 34 Cb 0.03 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1cf0 s VAL 34 CO -0.08 0.06 1.17 -2.16 0.00 0.00 0.00 175.10 174.09 1cf0 s PRO 35 N 1.53 3.97 0.00 2.72 0.04 -1.26 -3.44 135.00 138.56 1cf0 s PRO 35 Ca 0.60 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1cf0 s PRO 35 Cb -0.30 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1cf0 s PRO 35 CO 0.28 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1cf0 n GLY 36 N 0.58 0.92 0.00 0.56 0.00 -1.26 -4.99 105.19 101.00 1cf0 n GLY 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.01 3.53 -0.11 1.61 4.76 -1.22 -5.11 118.16 119.61 1cf0 n LYS 37 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1cf0 n LYS 37 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 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 1.41 0.28 -0.18 -1.04 -1.26 -4.62 114.28 108.86 1cf0 n THR 38 Ca 0.00 -0.14 0.18 0.00 -2.04 0.00 0.00 64.05 62.05 1cf0 n THR 38 Cb 0.00 -2.01 0.96 0.00 -1.82 0.00 0.00 70.33 67.46 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 -0.89 0.00 0.00 -1.42 0.04 -1.88 -1.28 116.94 111.51 1cf0 h PHE 39 Ca -0.38 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.38 1cf0 h PHE 39 Cb 1.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 1cf0 h PHE 39 CO -0.20 0.00 -0.04 -0.24 -0.60 0.00 0.00 178.31 177.23 1cf0 h VAL 40 N 0.00 0.51 -0.52 -0.55 3.04 -1.82 -1.27 116.25 115.64 1cf0 h VAL 40 Ca 0.03 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1cf0 h VAL 40 Cb 0.27 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1cf0 h VAL 40 CO -0.00 0.04 0.00 0.59 -1.01 0.00 0.00 177.57 177.19 1cf0 n ASN 41 N -3.73 5.32 -4.77 3.17 3.02 -0.48 -4.98 115.26 112.82 1cf0 n ASN 41 Ca -0.03 -2.85 -0.41 0.00 -0.03 0.00 0.00 54.58 51.26 1cf0 n ASN 41 Cb 0.14 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.63 1cf0 n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1cf0 s ILE 42 N -2.61 2.27 0.25 2.41 1.01 -0.48 -4.23 121.20 119.82 1cf0 s ILE 42 Ca 0.50 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.48 1cf0 s ILE 42 Cb 0.38 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1cf0 s ILE 42 CO 0.14 0.05 0.13 0.42 0.00 0.00 0.00 174.94 175.68 1cf0 s THR 43 N -0.69 4.13 0.42 2.92 -4.23 -1.26 -4.86 115.64 112.07 1cf0 s THR 43 Ca 0.55 -1.53 0.10 0.00 -1.18 0.00 0.00 61.69 59.63 1cf0 s THR 43 Cb -0.45 -3.21 0.21 0.00 1.34 0.00 0.00 72.50 70.39 1cf0 s THR 43 CO 0.55 -0.33 2.01 -0.65 -0.54 0.00 0.00 174.62 175.65 1cf0 h PRO 44 N 1.71 0.28 -0.58 3.99 0.11 -1.95 -2.07 132.00 133.48 1cf0 h PRO 44 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1cf0 h PRO 44 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1cf0 h PRO 44 CO 0.61 0.29 0.13 0.00 -0.21 0.00 0.00 178.00 178.81 1cf0 h ALA 45 N 1.75 0.77 -0.67 -0.75 0.00 -1.98 -1.15 119.26 117.23 1cf0 h ALA 45 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1cf0 h ALA 45 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1cf0 h ALA 45 CO 0.00 0.48 0.25 0.93 0.00 0.00 0.00 179.25 180.92 1cf0 h GLU 46 N 0.84 1.02 -0.30 0.00 5.08 -1.76 -2.26 114.58 117.20 1cf0 h GLU 46 Ca 0.18 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1cf0 h GLU 46 Cb 0.37 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1cf0 h GLU 46 CO 0.00 0.86 -0.06 0.28 -1.00 0.00 0.00 179.01 179.10 1cf0 h VAL 47 N 0.96 1.21 -0.21 3.13 2.07 -1.22 -2.49 116.25 119.70 1cf0 h VAL 47 Ca 0.22 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1cf0 h VAL 47 Cb 0.24 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1cf0 h VAL 47 CO -0.01 0.29 0.05 1.23 0.02 0.00 0.00 177.57 179.15 1cf0 h GLY 48 N 0.86 0.24 1.02 2.17 0.00 -0.64 -1.79 103.07 104.93 1cf0 h GLY 48 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1cf0 h GLY 48 CO 0.02 0.01 0.42 -2.08 0.00 0.00 0.00 176.54 174.90 1cf0 h VAL 49 N 0.14 1.24 -0.22 4.60 2.07 -1.06 -0.97 116.25 122.05 1cf0 h VAL 49 Ca 0.09 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1cf0 h VAL 49 Cb 0.08 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1cf0 h VAL 49 CO -0.12 0.28 -0.02 -0.07 0.02 0.00 0.00 177.57 177.66 1cf0 h LEU 50 N 1.12 -0.13 -2.86 2.57 3.38 -0.94 -2.56 115.31 115.88 1cf0 h LEU 50 Ca 0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1cf0 h LEU 50 Cb 0.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cf0 h LEU 50 CO -0.04 -0.04 0.00 1.33 0.09 0.00 0.00 178.44 179.78 1cf0 n VAL 51 N -5.17 1.88 -1.43 1.22 0.24 -0.75 -5.00 118.33 109.33 1cf0 n VAL 51 Ca -0.02 -1.05 -0.30 0.00 -2.04 0.00 0.00 64.34 60.93 1cf0 n VAL 51 Cb 0.12 -0.14 0.22 0.00 -1.47 0.00 0.00 33.84 32.57 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 -0.72 1.67 0.11 7.63 0.00 -0.38 -5.00 107.32 110.62 1cf0 s GLY 52 Ca 0.43 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 1cf0 s GLY 52 CO 0.16 -0.22 1.25 1.70 0.00 0.00 0.00 173.10 175.99 1cf0 h LYS 53 N -2.21 0.27 -6.35 2.90 3.64 -1.88 -3.43 116.57 109.51 1cf0 h LYS 53 Ca -0.44 -0.37 -0.54 0.00 -1.27 0.00 0.00 60.65 58.02 1cf0 h LYS 53 Cb 1.27 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 1cf0 h LYS 53 CO 0.35 1.11 1.14 -0.51 -2.27 0.00 0.00 179.45 179.27 1cf0 s ASP 54 N -7.05 6.03 0.00 4.20 1.11 -1.26 -4.84 116.67 114.86 1cf0 s ASP 54 Ca -0.04 0.37 0.19 0.00 0.18 0.00 0.00 52.55 53.25 1cf0 s ASP 54 Cb 0.08 -2.54 0.22 0.00 1.07 0.00 0.00 42.92 41.76 1cf0 s ASP 54 CO 0.86 -1.77 1.17 0.54 1.18 0.00 0.00 175.17 177.14 1cf0 n ARG 55 N 8.69 1.86 -2.67 8.23 5.12 -1.26 -4.44 116.66 132.19 1cf0 n ARG 55 Ca 0.14 -1.79 0.00 0.00 -1.93 0.00 0.00 57.85 54.27 1cf0 n ARG 55 Cb 0.49 -1.38 0.05 0.00 -1.16 0.00 0.00 32.46 30.46 1cf0 n ARG 55 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1cf0 n SER 56 N 1.10 1.29 0.00 0.55 7.64 -1.26 -4.83 113.62 118.10 1cf0 n SER 56 Ca 0.13 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1cf0 n SER 56 Cb 0.49 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1cf0 n SER 56 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1cf0 n SER 57 N -0.54 3.87 0.00 6.43 7.64 -1.26 -4.56 113.62 125.19 1cf0 n SER 57 Ca 0.05 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1cf0 n SER 57 Cb 0.84 0.19 0.72 0.00 -1.01 0.00 0.00 64.21 64.95 1cf0 n SER 57 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1cf0 n PHE 58 N -2.12 0.00 0.11 1.43 1.16 -1.26 -3.24 117.46 113.53 1cf0 n PHE 58 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.54 1cf0 n PHE 58 Cb 0.44 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.40 1cf0 n PHE 58 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1cf0 h TYR 59 N 0.00 0.09 0.00 2.97 0.05 -1.83 0.51 116.97 118.75 1cf0 h TYR 59 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1cf0 h TYR 59 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1cf0 h TYR 59 CO 0.00 0.75 -1.44 0.28 -1.05 0.00 0.00 178.16 176.70 1cf0 n VAL 60 N -3.73 0.00 0.48 -2.88 0.31 -1.22 -4.58 118.33 106.71 1cf0 n VAL 60 Ca -0.02 -0.23 0.05 0.00 -0.01 0.00 0.00 64.34 64.14 1cf0 n VAL 60 Cb 0.69 0.28 -0.02 0.00 -0.91 0.00 0.00 33.84 33.88 1cf0 n VAL 60 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1cf0 n ASN 61 N -1.84 0.98 0.00 4.52 5.03 -1.20 -5.11 115.26 117.64 1cf0 n ASN 61 Ca -0.02 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.44 1cf0 n ASN 61 Cb 0.26 0.66 0.00 0.00 -1.02 0.00 0.00 39.78 39.68 1cf0 n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cf0 n GLY 62 N 1.04 0.43 3.83 7.41 0.00 0.18 -4.99 105.19 113.08 1cf0 n GLY 62 Ca 0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.14 0.10 0.99 0.05 -0.71 -4.51 118.68 114.46 1cf0 s LEU 63 Ca 0.00 -0.74 0.08 0.00 0.05 0.00 0.00 54.13 53.52 1cf0 s LEU 63 Cb 0.00 2.60 -0.03 0.00 -2.05 0.00 0.00 46.19 46.70 1cf0 s LEU 63 CO 0.00 -1.33 -0.20 0.42 -0.55 0.00 0.00 176.35 174.69 1cf0 s THR 64 N -3.16 1.62 -0.16 5.48 -4.23 -1.25 0.10 115.64 114.03 1cf0 s THR 64 Ca 0.14 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1cf0 s THR 64 Cb -0.05 -1.48 0.05 0.00 1.34 0.00 0.00 72.50 72.36 1cf0 s THR 64 CO 0.07 -0.09 0.04 -0.76 -0.54 0.00 0.00 174.62 173.34 1cf0 s LEU 65 N -1.89 0.87 -1.06 4.79 1.43 0.12 -4.79 118.68 118.16 1cf0 s LEU 65 Ca 0.05 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1cf0 s LEU 65 Cb -0.10 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1cf0 s LEU 65 CO 0.04 -0.29 0.11 0.61 0.23 0.00 0.00 176.35 177.05 1cf0 n GLY 66 N 5.12 -0.13 2.21 -3.19 0.00 -1.26 -2.19 105.19 105.75 1cf0 n GLY 66 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.07 3.13 3.72 -0.02 0.00 -1.26 -4.87 105.19 104.82 1cf0 n GLY 67 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.36 4.53 -0.13 1.61 2.00 -0.93 -4.97 119.66 121.40 1cf0 s GLN 68 Ca 0.00 1.67 -0.21 0.00 -2.00 0.00 0.00 55.36 54.82 1cf0 s GLN 68 Cb 0.00 -3.34 -0.03 0.00 0.80 0.00 0.00 33.01 30.44 1cf0 s GLN 68 CO 0.00 -0.07 0.61 0.15 -0.50 0.00 0.00 175.29 175.48 1cf0 s LYS 69 N 0.46 4.32 0.33 1.67 3.01 -1.26 -0.70 119.74 127.57 1cf0 s LYS 69 Ca 0.53 0.66 0.10 0.00 -1.01 0.00 0.00 55.97 56.26 1cf0 s LYS 69 Cb -0.28 -3.50 -0.06 0.00 -1.01 0.00 0.00 37.83 32.98 1cf0 s LYS 69 CO 0.31 -0.04 -0.12 0.00 0.51 0.00 0.00 175.35 176.02 1cf0 s SER 71 N -3.58 3.96 -0.32 0.00 0.01 0.21 -1.74 113.70 112.24 1cf0 s SER 71 Ca 0.32 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1cf0 s SER 71 Cb 0.01 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1cf0 s SER 71 CO 0.16 0.01 1.37 -0.69 0.41 0.00 0.00 173.24 174.50 1cf0 s VAL 72 N 1.27 4.02 -0.14 3.43 1.01 -1.26 -1.30 120.40 127.43 1cf0 s VAL 72 Ca 0.03 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1cf0 s VAL 72 Cb -0.14 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 1cf0 s VAL 72 CO -0.04 -0.54 0.27 2.30 0.00 0.00 0.00 175.10 177.09 1cf0 n ILE 73 N 6.48 1.60 -3.67 2.22 -5.35 -0.11 -4.87 119.36 115.65 1cf0 n ILE 73 Ca 0.16 -0.72 -0.11 0.00 -0.27 0.00 0.00 62.75 61.80 1cf0 n ILE 73 Cb 0.47 -1.21 -0.12 0.00 -1.74 0.00 0.00 39.64 37.04 1cf0 n ILE 73 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1cf0 s ARG 74 N -2.55 0.24 -0.28 6.28 3.00 -1.00 -5.00 118.95 119.64 1cf0 s ARG 74 Ca -0.17 0.81 -0.04 0.00 -1.00 0.00 0.00 55.73 55.33 1cf0 s ARG 74 Cb 0.07 0.07 0.02 0.00 0.00 0.00 0.00 34.95 35.11 1cf0 s ARG 74 CO 0.76 -0.24 0.01 0.34 0.00 0.00 0.00 175.30 176.17 1cf0 s ASP 75 N 2.21 4.75 0.00 -2.12 2.15 -1.26 -0.29 116.67 122.10 1cf0 s ASP 75 Ca -0.02 -0.87 0.17 0.00 0.43 0.00 0.00 52.55 52.26 1cf0 s ASP 75 Cb -0.11 -1.76 0.28 0.00 -0.30 0.00 0.00 42.92 41.02 1cf0 s ASP 75 CO -0.10 -0.18 1.09 -1.20 -0.17 0.00 0.00 175.17 174.61 1cf0 n SER 76 N 4.75 0.56 -0.26 -0.34 7.64 -0.20 -4.92 113.62 120.85 1cf0 n SER 76 Ca -0.15 -1.97 0.09 0.00 1.01 0.00 0.00 58.87 57.85 1cf0 n SER 76 Cb 0.47 -0.22 0.34 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.65 0.71 -3.14 -3.43 5.85 -1.60 -1.71 115.31 112.64 1cf0 h LEU 77 Ca -0.20 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1cf0 h LEU 77 Cb 1.71 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1cf0 h LEU 77 CO 0.04 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 1cf0 n LEU 78 N -4.53 4.45 -4.72 2.25 4.77 -1.26 -4.42 117.00 113.53 1cf0 n LEU 78 Ca 0.15 -2.48 -0.38 0.00 -0.03 0.00 0.00 56.01 53.27 1cf0 n LEU 78 Cb 0.37 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1cf0 n LEU 78 CO 0.31 0.78 0.23 -1.58 -1.33 0.00 0.00 177.39 175.80 1cf0 s GLN 79 N -1.89 4.36 0.12 3.23 2.00 -0.66 -5.00 119.66 121.82 1cf0 s GLN 79 Ca 0.47 0.56 -0.34 0.00 -2.00 0.00 0.00 55.36 54.04 1cf0 s GLN 79 Cb 0.31 -3.43 -0.14 0.00 0.80 0.00 0.00 33.01 30.54 1cf0 s GLN 79 CO 0.21 0.15 1.56 -0.25 -0.50 0.00 0.00 175.29 176.46 1cf0 n ASP 80 N 3.65 2.86 0.00 6.67 8.00 -1.26 -3.25 116.55 133.22 1cf0 n ASP 80 Ca -0.06 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.52 1cf0 n ASP 80 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1cf0 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cf0 n GLY 81 N 3.34 1.92 3.47 0.44 0.00 -1.26 -4.83 105.19 108.26 1cf0 n GLY 81 Ca 0.18 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 1cf0 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cf0 s GLU 82 N 0.00 3.77 -1.35 1.61 -1.05 -1.20 -4.89 118.70 115.58 1cf0 s GLU 82 Ca 0.00 -1.98 -0.06 0.00 -0.15 0.00 0.00 54.97 52.78 1cf0 s GLU 82 Cb 0.00 -5.03 0.10 0.00 -0.44 0.00 0.00 34.13 28.76 1cf0 s GLU 82 CO 0.00 -1.83 2.44 1.19 0.95 0.00 0.00 175.26 178.01 1cf0 n PHE 83 N 6.54 2.58 -4.21 4.83 3.01 -1.23 -4.19 117.46 124.80 1cf0 n PHE 83 Ca 0.30 -2.85 -0.14 0.00 1.01 0.00 0.00 57.45 55.77 1cf0 n PHE 83 Cb 0.47 -1.90 -0.10 0.00 -0.01 0.00 0.00 39.48 37.94 1cf0 n PHE 83 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1cf0 s SER 84 N 0.54 1.55 -0.02 4.37 1.04 -1.10 -1.22 113.70 118.86 1cf0 s SER 84 Ca 0.56 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1cf0 s SER 84 Cb 0.18 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1cf0 s SER 84 CO -0.09 -0.32 0.04 -0.32 0.98 0.00 0.00 173.24 173.52 1cf0 s MET 85 N -3.37 -0.00 -0.11 4.02 0.00 -0.26 -1.03 119.30 118.54 1cf0 s MET 85 Ca 0.11 0.16 -0.01 0.00 0.00 0.00 0.00 55.69 55.95 1cf0 s MET 85 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 34.83 34.66 1cf0 s MET 85 CO -0.01 -0.11 -0.06 -0.51 0.00 0.00 0.00 175.02 174.33 1cf0 s ASP 86 N 0.72 4.67 0.05 1.11 1.01 0.60 -1.60 116.67 123.23 1cf0 s ASP 86 Ca -0.06 -0.08 -0.00 0.00 0.71 0.00 0.00 52.55 53.11 1cf0 s ASP 86 Cb -0.08 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.35 1cf0 s ASP 86 CO -0.02 0.27 -0.03 -0.76 0.21 0.00 0.00 175.17 174.83 1cf0 s LEU 87 N -0.27 2.44 0.25 1.23 1.02 -0.32 -0.93 118.68 122.10 1cf0 s LEU 87 Ca 0.04 -0.90 0.12 0.00 0.02 0.00 0.00 54.13 53.41 1cf0 s LEU 87 Cb -0.13 0.15 -0.05 0.00 0.02 0.00 0.00 46.19 46.18 1cf0 s LEU 87 CO 0.02 -0.52 -0.21 -0.13 0.02 0.00 0.00 176.35 175.54 1cf0 s ARG 88 N -3.40 1.65 -0.38 1.70 3.00 -0.42 0.01 118.95 121.11 1cf0 s ARG 88 Ca 0.03 -1.67 -0.25 0.00 0.00 0.00 0.00 55.73 53.84 1cf0 s ARG 88 Cb 0.04 -1.81 0.02 0.00 0.00 0.00 0.00 34.95 33.19 1cf0 s ARG 88 CO -0.08 0.36 0.86 0.99 0.00 0.00 0.00 175.30 177.43 1cf0 s THR 89 N -2.21 4.63 -0.96 0.02 2.01 0.67 -0.62 115.64 119.18 1cf0 s THR 89 Ca 0.27 0.97 -0.26 0.00 0.31 0.00 0.00 61.69 62.98 1cf0 s THR 89 Cb -0.06 -4.30 -0.14 0.00 0.01 0.00 0.00 72.50 68.01 1cf0 s THR 89 CO 0.13 -0.55 2.17 -0.54 -0.69 0.00 0.00 174.62 175.14 1cf0 s LYS 90 N 3.36 1.74 -1.32 4.92 1.02 -0.68 -4.45 119.74 124.33 1cf0 s LYS 90 Ca 0.35 -0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.08 1cf0 s LYS 90 Cb -0.12 -4.96 0.13 0.00 -0.52 0.00 0.00 37.83 32.36 1cf0 s LYS 90 CO 0.19 -4.55 2.08 0.45 -0.92 0.00 0.00 175.35 172.60 1cf0 n SER 91 N 17.63 5.86 0.05 2.83 2.88 -1.26 -4.61 113.62 137.00 1cf0 n SER 91 Ca 0.44 -3.07 0.04 0.00 -1.33 0.00 0.00 58.87 54.94 1cf0 n SER 91 Cb 0.45 -1.47 0.44 0.00 -0.75 0.00 0.00 64.21 62.88 1cf0 n SER 91 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1cf0 h THR 92 N 3.45 1.11 -4.06 2.46 1.35 -1.94 -3.42 112.91 111.86 1cf0 h THR 92 Ca 0.51 -0.30 -0.69 0.00 -0.55 0.00 0.00 66.41 65.37 1cf0 h THR 92 Cb 0.53 0.71 -0.23 0.00 -1.73 0.00 0.00 68.15 67.44 1cf0 h THR 92 CO 1.62 0.12 -0.81 -0.83 -0.25 0.00 0.00 175.52 175.38 1cf0 s GLY 93 N -3.80 1.53 0.00 5.82 0.00 -1.26 -4.98 107.32 104.62 1cf0 s GLY 93 Ca -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1cf0 s GLY 93 CO 0.73 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 173.45 1cf0 n GLY 94 N 1.85 0.56 1.75 0.20 0.00 -1.26 -4.83 105.19 103.45 1cf0 n GLY 94 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1cf0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf0 n ALA 95 N 7.32 0.48 -1.68 4.61 0.00 -1.26 -5.08 120.51 124.90 1cf0 n ALA 95 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 1cf0 n ALA 95 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1cf0 n ALA 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cf0 n PRO 96 N -2.37 1.54 -4.98 0.00 -0.04 -1.26 -4.88 135.00 123.01 1cf0 n PRO 96 Ca 0.00 0.56 -0.27 0.00 -0.04 0.00 0.00 63.50 63.75 1cf0 n PRO 96 Cb 0.00 -2.34 -0.16 0.00 -0.04 0.00 0.00 33.50 30.97 1cf0 n PRO 96 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1cf0 s THR 97 N 4.03 1.60 0.10 0.52 2.01 -1.26 -4.61 115.64 118.03 1cf0 s THR 97 Ca 0.97 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1cf0 s THR 97 Cb -0.91 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1cf0 s THR 97 CO 0.59 0.45 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.46 1cf0 s PHE 98 N -0.31 1.42 -0.01 4.92 0.08 -1.26 -4.58 117.98 118.24 1cf0 s PHE 98 Ca 0.04 -0.48 -0.21 0.00 0.12 0.00 0.00 56.93 56.40 1cf0 s PHE 98 Cb -0.09 -0.77 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1cf0 s PHE 98 CO 0.00 0.13 0.60 -0.80 -0.10 0.00 0.00 175.22 175.05 1cf0 s ASN 99 N -2.02 6.96 0.10 1.36 0.02 -1.26 -0.24 114.94 119.87 1cf0 s ASN 99 Ca 0.04 1.15 0.08 0.00 -1.02 0.00 0.00 52.86 53.11 1cf0 s ASN 99 Cb -0.08 -2.37 -0.03 0.00 0.02 0.00 0.00 41.25 38.79 1cf0 s ASN 99 CO 0.03 0.08 -0.21 -0.69 0.02 0.00 0.00 177.10 176.33 1cf0 s VAL 100 N -0.08 1.76 -0.03 1.60 1.01 0.10 -2.35 120.40 122.41 1cf0 s VAL 100 Ca 0.31 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1cf0 s VAL 100 Cb -0.18 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1cf0 s VAL 100 CO 0.17 -0.03 0.01 -0.89 0.00 0.00 0.00 175.10 174.36 1cf0 s THR 101 N -1.14 0.10 -0.17 3.92 2.01 -0.92 -1.18 115.64 118.27 1cf0 s THR 101 Ca 0.07 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1cf0 s THR 101 Cb -0.10 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1cf0 s THR 101 CO 0.04 0.13 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.33 1cf0 s VAL 102 N 1.13 3.30 0.01 3.82 1.01 -0.63 -1.87 120.40 127.19 1cf0 s VAL 102 Ca -0.08 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1cf0 s VAL 102 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1cf0 s VAL 102 CO -0.02 0.48 -0.25 -0.89 0.00 0.00 0.00 175.10 174.42 1cf0 s THR 103 N 0.76 1.98 -0.08 3.92 2.01 -0.50 -1.10 115.64 122.63 1cf0 s THR 103 Ca -0.03 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 60.79 1cf0 s THR 103 Cb -0.15 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1cf0 s THR 103 CO 0.02 0.44 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.48 1cf0 s LYS 104 N -0.90 2.83 0.00 4.92 2.20 -0.35 -0.47 119.74 127.97 1cf0 s LYS 104 Ca 0.10 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1cf0 s LYS 104 Cb -0.10 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1cf0 s LYS 104 CO 0.01 0.44 0.00 0.25 -0.36 0.00 0.00 175.35 175.68 1cf0 n THR 105 N 2.85 0.00 -0.10 3.43 -2.24 0.84 -4.84 114.28 114.22 1cf0 n THR 105 Ca -0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1cf0 n THR 105 Cb 0.52 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1cf0 n THR 105 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cf0 h ASP 106 N 0.00 0.80 0.00 3.42 3.32 -1.94 -3.37 116.42 118.65 1cf0 h ASP 106 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1cf0 h ASP 106 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1cf0 h ASP 106 CO 0.00 1.11 -0.21 0.29 -1.72 0.00 0.00 179.24 178.71 1cf0 n LYS 107 N -4.22 5.29 -4.45 3.56 5.02 -0.97 -4.88 118.16 117.51 1cf0 n LYS 107 Ca -0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 1cf0 n LYS 107 Cb 0.49 -0.59 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 1cf0 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cf0 s THR 108 N -1.16 0.80 -0.08 -0.18 -4.23 -1.24 -1.47 115.64 108.08 1cf0 s THR 108 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1cf0 s THR 108 Cb 0.00 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1cf0 s THR 108 CO 0.00 0.00 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.23 1cf0 s LEU 109 N -3.50 1.37 -0.23 4.79 1.02 -0.07 -0.11 118.68 121.95 1cf0 s LEU 109 Ca 0.31 -0.27 -0.09 0.00 0.02 0.00 0.00 54.13 54.11 1cf0 s LEU 109 Cb 0.06 -0.77 -0.04 0.00 0.02 0.00 0.00 46.19 45.46 1cf0 s LEU 109 CO 0.15 -0.05 0.11 -0.69 0.02 0.00 0.00 176.35 175.89 1cf0 s VAL 110 N 1.17 4.94 -0.03 -1.59 1.01 0.38 -1.07 120.40 125.22 1cf0 s VAL 110 Ca -0.05 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1cf0 s VAL 110 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1cf0 s VAL 110 CO -0.02 0.38 -0.09 -0.76 0.00 0.00 0.00 175.10 174.61 1cf0 s LEU 111 N 1.00 3.04 -0.05 3.92 1.02 0.17 -1.40 118.68 126.38 1cf0 s LEU 111 Ca 0.06 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 1cf0 s LEU 111 Cb -0.14 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.40 1cf0 s LEU 111 CO 0.03 0.32 0.11 -0.22 0.02 0.00 0.00 176.35 176.61 1cf0 s LEU 112 N -1.07 1.20 -0.09 1.79 0.20 -0.78 -1.50 118.68 118.43 1cf0 s LEU 112 Ca 0.14 0.22 0.03 0.00 0.69 0.00 0.00 54.13 55.20 1cf0 s LEU 112 Cb -0.11 0.29 0.01 0.00 -0.43 0.00 0.00 46.19 45.95 1cf0 s LEU 112 CO 0.04 -0.09 -0.17 -0.32 -0.29 0.00 0.00 176.35 175.52 1cf0 s MET 113 N 0.63 2.27 0.38 1.98 -2.45 -0.12 -2.16 119.30 119.83 1cf0 s MET 113 Ca -0.05 -0.60 -0.01 0.00 -1.25 0.00 0.00 55.69 53.79 1cf0 s MET 113 Cb -0.07 -1.83 -0.03 0.00 1.25 0.00 0.00 34.83 34.15 1cf0 s MET 113 CO -0.03 0.04 0.60 0.20 1.05 0.00 0.00 175.02 176.89 1cf0 s GLY 114 N 0.69 1.37 0.97 2.11 0.00 -0.99 -0.02 107.32 111.46 1cf0 s GLY 114 Ca -0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1cf0 s GLY 114 CO 0.03 -0.73 1.11 0.54 0.00 0.00 0.00 173.10 174.06 1cf0 s LYS 115 N -4.42 0.65 0.11 2.90 1.02 0.91 -4.46 119.74 116.45 1cf0 s LYS 115 Ca 0.42 0.39 -0.34 0.00 0.02 0.00 0.00 55.97 56.46 1cf0 s LYS 115 Cb -0.10 -1.77 -0.13 0.00 -0.52 0.00 0.00 37.83 35.31 1cf0 s LYS 115 CO 0.38 -2.55 1.67 -1.91 -0.92 0.00 0.00 175.35 172.01 1cf0 n GLU 116 N -4.03 2.24 -0.05 1.68 2.13 -1.26 -2.13 120.64 119.22 1cf0 n GLU 116 Ca 0.06 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1cf0 n GLU 116 Cb 0.58 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.68 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 3.71 1.99 3.71 8.31 0.00 -1.26 -5.03 105.19 116.62 1cf0 n GLY 117 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.74 3.25 0.20 1.61 1.01 -0.91 -4.95 120.40 117.88 1cf0 s VAL 118 Ca 0.00 0.88 -0.33 0.00 0.00 0.00 0.00 61.98 62.54 1cf0 s VAL 118 Cb 0.00 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 1cf0 s VAL 118 CO 0.00 0.06 1.64 1.57 0.00 0.00 0.00 175.10 178.37 1cf0 n HIS 119 N 4.04 2.54 -0.35 5.22 -0.00 -1.26 -4.76 115.22 120.65 1cf0 n HIS 119 Ca 0.12 0.17 0.11 0.00 0.46 0.00 0.00 57.72 58.58 1cf0 n HIS 119 Cb 0.42 -2.61 0.29 0.00 -0.12 0.00 0.00 29.99 27.98 1cf0 n HIS 119 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1cf0 h GLY 120 N 6.13 1.72 2.00 1.57 0.00 -1.96 -0.38 103.07 112.15 1cf0 h GLY 120 Ca -0.44 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1cf0 h GLY 120 CO 0.91 -0.02 0.00 -1.33 0.00 0.00 0.00 176.54 176.09 1cf0 h GLY 121 N 0.79 0.00 0.97 4.60 0.00 -1.98 0.58 103.07 108.03 1cf0 h GLY 121 Ca 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.72 1cf0 h GLY 121 CO -0.36 0.00 -0.52 -2.00 0.00 0.00 0.00 176.54 173.66 1cf0 h LEU 122 N 0.00 0.73 -0.72 3.11 6.46 -1.44 0.09 115.31 123.54 1cf0 h LEU 122 Ca 0.00 -0.60 -0.13 0.00 -0.12 0.00 0.00 57.88 57.03 1cf0 h LEU 122 Cb 0.46 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1cf0 h LEU 122 CO 0.00 1.20 -0.47 0.40 -0.62 0.00 0.00 178.44 178.96 1cf0 h ILE 123 N 0.29 1.32 -0.25 4.05 1.08 -1.27 -2.14 117.51 120.60 1cf0 h ILE 123 Ca -0.02 -1.67 -0.05 0.00 -0.39 0.00 0.00 64.86 62.73 1cf0 h ILE 123 Cb 1.15 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 1cf0 h ILE 123 CO 0.11 0.51 -0.04 -1.13 -0.69 0.00 0.00 178.15 176.91 1cf0 h ASN 124 N 0.33 0.46 0.04 1.72 -0.73 -0.79 -1.59 115.58 115.02 1cf0 h ASN 124 Ca 0.02 -0.35 0.02 0.00 1.87 0.00 0.00 56.30 57.86 1cf0 h ASN 124 Cb 0.95 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.39 1cf0 h ASN 124 CO 0.08 0.70 -0.16 0.50 -0.37 0.00 0.00 177.43 178.19 1cf0 h LYS 125 N 0.21 -0.27 -0.21 6.67 3.64 -0.85 -0.34 116.57 125.42 1cf0 h LYS 125 Ca 0.06 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1cf0 h LYS 125 Cb 0.49 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1cf0 h LYS 125 CO 0.02 -0.18 0.02 0.87 -2.27 0.00 0.00 179.45 177.91 1cf0 h LYS 126 N -0.28 0.09 -0.55 1.90 1.79 -1.38 -1.09 116.57 117.06 1cf0 h LYS 126 Ca 0.04 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1cf0 h LYS 126 Cb 0.32 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1cf0 h LYS 126 CO -0.12 0.06 -0.05 0.00 -1.08 0.00 0.00 179.45 178.26 1cf0 h TYR 128 N 0.89 0.99 -0.09 0.00 3.20 -0.92 -2.90 116.97 118.14 1cf0 h TYR 128 Ca 0.15 -0.30 -0.13 0.00 3.14 0.00 0.00 58.73 61.59 1cf0 h TYR 128 Cb 0.59 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1cf0 h TYR 128 CO 0.04 1.09 -0.54 0.93 -1.64 0.00 0.00 178.16 178.04 1cf0 h GLU 129 N 0.66 0.26 -0.32 1.82 5.08 -1.20 -1.56 114.58 119.31 1cf0 h GLU 129 Ca 0.05 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1cf0 h GLU 129 Cb 0.99 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1cf0 h GLU 129 CO 0.09 0.73 -0.15 1.98 -1.00 0.00 0.00 179.01 180.67 1cf0 h MET 130 N 0.20 0.67 0.00 2.33 4.05 -1.56 -1.64 114.93 118.98 1cf0 h MET 130 Ca 0.00 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.05 1cf0 h MET 130 Cb 1.02 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 1cf0 h MET 130 CO 0.08 0.88 -0.38 0.00 0.23 0.00 0.00 176.91 177.72 1cf0 h ALA 131 N 0.77 1.29 -0.53 0.39 0.00 -1.48 -0.30 119.26 119.41 1cf0 h ALA 131 Ca 0.07 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1cf0 h ALA 131 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1cf0 h ALA 131 CO 0.05 0.48 -0.07 1.03 0.00 0.00 0.00 179.25 180.73 1cf0 h SER 132 N 0.00 0.96 -0.53 0.00 0.87 -0.98 -1.23 113.55 112.64 1cf0 h SER 132 Ca -0.00 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.15 1cf0 h SER 132 Cb 0.71 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1cf0 h SER 132 CO 0.05 1.06 -0.11 -0.74 -0.53 0.00 0.00 176.83 176.56 1cf0 h HIS 133 N 0.88 1.14 -0.50 2.24 6.17 -0.49 -2.82 115.15 121.77 1cf0 h HIS 133 Ca 0.15 -0.24 -0.07 0.00 0.71 0.00 0.00 60.37 60.92 1cf0 h HIS 133 Cb 0.61 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 1cf0 h HIS 133 CO 0.04 1.06 0.04 -0.07 0.71 0.00 0.00 177.93 179.70 1cf0 h LEU 134 N 0.91 0.83 -0.46 0.26 3.38 -0.83 -2.79 115.31 116.61 1cf0 h LEU 134 Ca 0.14 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1cf0 h LEU 134 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1cf0 h LEU 134 CO 0.05 0.91 -0.43 0.08 0.09 0.00 0.00 178.44 179.14 1cf0 h ARG 135 N 0.73 0.00 0.00 1.13 0.11 -1.21 0.47 114.38 115.61 1cf0 h ARG 135 Ca 0.15 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.22 1cf0 h ARG 135 Cb 0.46 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 1cf0 h ARG 135 CO 0.02 0.43 -0.02 0.00 0.10 0.00 0.00 179.97 180.50 1cf0 h ARG 136 N 0.00 0.00 -0.60 0.08 3.08 -1.45 -2.42 114.38 113.06 1cf0 h ARG 136 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cf0 h ARG 136 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1cf0 h ARG 136 CO 0.06 0.02 0.00 0.43 -1.07 0.00 0.00 179.97 179.41 1cf0 n SER 137 N -3.11 5.54 -1.42 7.04 7.64 -1.05 -4.91 113.62 123.34 1cf0 n SER 137 Ca 0.02 -2.85 -0.13 0.00 1.01 0.00 0.00 58.87 56.93 1cf0 n SER 137 Cb 0.41 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.70 -1.01 0.00 1.43 6.02 -0.91 -5.04 117.38 118.57 1cf0 n GLN 138 Ca 0.27 0.64 0.05 0.00 -0.01 0.00 0.00 57.00 57.95 1cf0 n GLN 138 Cb 1.14 -4.84 0.04 0.00 1.02 0.00 0.00 30.24 27.60 1cf0 n GLN 138 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71