#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfp n PRO 5 N 0.00 2.13 -3.45 3.23 -0.04 -1.26 -4.60 135.00 131.00 1sfp n PRO 5 Ca 0.00 0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 63.86 1sfp n PRO 5 Cb 0.00 -2.60 -0.08 0.00 -0.04 0.00 0.00 33.50 30.78 1sfp n PRO 5 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1sfp s ARG 6 N 3.38 4.17 -0.23 0.54 3.52 -1.26 -0.26 118.95 128.81 1sfp s ARG 6 Ca 0.90 0.11 -0.06 0.00 -0.13 0.00 0.00 55.73 56.55 1sfp s ARG 6 Cb -0.71 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1sfp s ARG 6 CO 0.49 0.02 0.04 1.21 -0.81 0.00 0.00 175.30 176.25 1sfp s ASN 7 N 0.97 5.01 -0.07 -2.12 3.84 0.24 -4.94 114.94 117.87 1sfp s ASN 7 Ca 0.17 -0.20 0.11 0.00 0.21 0.00 0.00 52.86 53.15 1sfp s ASN 7 Cb -0.14 -1.88 0.20 0.00 -0.55 0.00 0.00 41.25 38.88 1sfp s ASN 7 CO 0.07 0.01 1.10 0.35 -2.79 0.00 0.00 177.10 175.84 1sfp n THR 8 N 4.63 0.93 -1.58 -5.21 -2.24 -1.26 -0.90 114.28 108.65 1sfp n THR 8 Ca -0.17 -1.30 -0.31 0.00 -2.27 0.00 0.00 64.05 60.01 1sfp n THR 8 Cb 0.51 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1sfp n THR 8 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1sfp s ASN 9 N -2.05 5.16 -1.18 3.42 0.01 -1.26 -4.29 114.94 114.75 1sfp s ASN 9 Ca 0.20 1.52 -0.17 0.00 -0.71 0.00 0.00 52.86 53.70 1sfp s ASN 9 Cb 0.19 -2.36 0.11 0.00 0.41 0.00 0.00 41.25 39.60 1sfp s ASN 9 CO -0.02 -1.57 1.51 0.00 -1.51 0.00 0.00 177.10 175.51 1sfp n GLY 11 N 5.12 -3.03 0.00 0.00 0.00 -1.26 -4.44 105.19 101.58 1sfp n GLY 11 Ca 0.39 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1sfp n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfp n GLY 12 N -0.58 3.91 3.68 -0.02 0.00 -0.69 -4.89 105.19 106.61 1sfp n GLY 12 Ca 0.00 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 1sfp n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sfp s ILE 13 N -2.06 5.01 -0.14 -0.61 1.01 -1.26 -1.02 121.20 122.14 1sfp s ILE 13 Ca 0.00 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 1sfp s ILE 13 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1sfp s ILE 13 CO 0.00 0.15 -0.09 -0.76 0.00 0.00 0.00 174.94 174.25 1sfp s LEU 14 N 1.51 2.97 -0.01 2.97 1.43 0.38 -4.93 118.68 122.99 1sfp s LEU 14 Ca 0.33 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1sfp s LEU 14 Cb -0.17 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1sfp s LEU 14 CO 0.13 0.17 0.87 0.29 0.23 0.00 0.00 176.35 178.04 1sfp n LYS 15 N 3.50 1.98 -2.36 1.70 4.76 -1.26 -0.96 118.16 125.51 1sfp n LYS 15 Ca -0.18 -1.27 -0.35 0.00 -2.87 0.00 0.00 58.31 53.64 1sfp n LYS 15 Cb 0.53 -0.88 -0.01 0.00 -1.84 0.00 0.00 35.03 32.83 1sfp n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1sfp s GLU 16 N -0.81 3.57 0.45 1.97 0.41 -1.26 -4.91 118.70 118.12 1sfp s GLU 16 Ca 0.02 1.54 0.30 0.00 -0.41 0.00 0.00 54.97 56.42 1sfp s GLU 16 Cb 0.02 -2.09 1.22 0.00 -1.78 0.00 0.00 34.13 31.50 1sfp s GLU 16 CO 0.00 -0.66 1.89 1.49 -0.49 0.00 0.00 175.26 177.49 1sfp h GLU 17 N 1.44 0.00 -1.96 1.61 4.81 -1.97 -3.43 114.58 115.08 1sfp h GLU 17 Ca -0.50 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1sfp h GLU 17 Cb 1.25 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.43 1sfp h GLU 17 CO 0.58 0.00 0.26 -1.54 -0.73 0.00 0.00 179.01 177.58 1sfp s SER 18 N -5.25 -0.60 0.07 1.04 1.04 -1.26 0.03 113.70 108.77 1sfp s SER 18 Ca 0.02 0.63 -0.17 0.00 0.48 0.00 0.00 55.95 56.91 1sfp s SER 18 Cb 0.09 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1sfp s SER 18 CO 0.50 -0.57 0.80 0.61 0.98 0.00 0.00 173.24 175.56 1sfp n GLY 19 N 0.82 0.60 3.10 7.32 0.00 -0.74 -4.38 105.19 111.91 1sfp n GLY 19 Ca -0.17 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1sfp n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sfp s VAL 20 N -2.14 1.20 -0.25 1.61 1.01 0.64 -1.75 120.40 120.72 1sfp s VAL 20 Ca 0.18 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1sfp s VAL 20 Cb -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1sfp s VAL 20 CO 0.02 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.95 1sfp s ILE 21 N -0.01 4.65 0.33 2.22 1.01 0.35 0.82 121.20 130.57 1sfp s ILE 21 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1sfp s ILE 21 Cb -0.09 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 1sfp s ILE 21 CO 0.01 0.32 0.07 0.00 0.00 0.00 0.00 174.94 175.35 1sfp s ALA 22 N 1.55 2.35 0.00 9.38 0.00 -0.08 -0.28 121.76 134.68 1sfp s ALA 22 Ca 0.06 -1.92 -0.38 0.00 0.00 0.00 0.00 51.96 49.72 1sfp s ALA 22 Cb -0.15 0.73 -0.17 0.00 0.00 0.00 0.00 23.12 23.52 1sfp s ALA 22 CO 0.06 -0.33 1.38 2.41 0.00 0.00 0.00 175.76 179.27 1sfp n THR 23 N -0.69 0.05 -3.36 0.00 -1.04 -1.05 -4.42 114.28 103.77 1sfp n THR 23 Ca -0.02 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.60 1sfp n THR 23 Cb 0.66 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 68.33 1sfp n THR 23 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1sfp s TYR 24 N 0.98 3.54 -1.19 -1.42 5.04 -1.26 -4.85 117.35 118.18 1sfp s TYR 24 Ca 0.88 0.88 0.16 0.00 -2.44 0.00 0.00 57.07 56.55 1sfp s TYR 24 Cb -1.02 -2.49 0.52 0.00 0.35 0.00 0.00 41.96 39.31 1sfp s TYR 24 CO 0.52 0.25 1.44 0.66 -1.34 0.00 0.00 175.55 177.07 1sfp n TYR 25 N 3.38 0.89 -1.85 4.97 4.01 -1.26 -4.84 117.16 122.46 1sfp n TYR 25 Ca -0.09 -0.56 -0.04 0.00 -0.16 0.00 0.00 57.90 57.05 1sfp n TYR 25 Cb 0.52 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.48 1sfp n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sfp n GLY 26 N 0.87 -0.01 0.24 2.72 0.00 -1.26 -4.98 105.19 102.77 1sfp n GLY 26 Ca 0.19 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1sfp n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sfp h PRO 27 N 0.00 0.00 -7.06 1.61 0.13 -2.02 -3.45 132.00 121.20 1sfp h PRO 27 Ca -0.06 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.53 1sfp h PRO 27 Cb 0.20 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.45 1sfp h PRO 27 CO 0.06 0.16 0.55 0.15 -0.23 0.00 0.00 178.00 178.69 1sfp s LYS 28 N -3.65 3.11 0.00 0.86 1.02 -1.26 -4.95 119.74 114.87 1sfp s LYS 28 Ca 0.01 2.06 0.07 0.00 0.02 0.00 0.00 55.97 58.13 1sfp s LYS 28 Cb 0.10 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 35.32 1sfp s LYS 28 CO 0.61 -1.16 0.75 0.25 -0.92 0.00 0.00 175.35 174.88 1sfp n THR 29 N -1.19 0.07 -3.62 2.17 -2.24 -1.26 -4.92 114.28 103.28 1sfp n THR 29 Ca 0.11 -0.53 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1sfp n THR 29 Cb 0.47 1.10 -0.17 0.00 -2.10 0.00 0.00 70.33 69.63 1sfp n THR 29 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sfp s ASN 30 N -0.60 2.61 -0.07 3.42 2.47 -1.26 -1.28 114.94 120.23 1sfp s ASN 30 Ca 0.08 -0.74 0.05 0.00 0.42 0.00 0.00 52.86 52.67 1sfp s ASN 30 Cb 0.06 -0.32 -0.01 0.00 -1.45 0.00 0.00 41.25 39.53 1sfp s ASN 30 CO 0.09 -0.36 -0.24 0.00 -3.72 0.00 0.00 177.10 172.87 1sfp s VAL 32 N -0.00 1.57 -0.21 0.00 1.01 -1.26 -0.54 120.40 120.97 1sfp s VAL 32 Ca -0.08 -1.32 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 1sfp s VAL 32 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1sfp s VAL 32 CO 0.05 -0.15 0.10 0.26 0.00 0.00 0.00 175.10 175.36 1sfp s TRP 33 N 1.36 3.27 -0.22 5.22 0.51 0.11 -1.70 118.94 127.49 1sfp s TRP 33 Ca -0.04 0.10 -0.00 0.00 -2.12 0.00 0.00 56.10 54.03 1sfp s TRP 33 Cb -0.19 -2.16 0.02 0.00 -0.81 0.00 0.00 33.47 30.33 1sfp s TRP 33 CO -0.07 0.09 -0.12 0.99 -0.51 0.00 0.00 176.95 177.33 1sfp s THR 34 N 0.70 2.55 -0.26 2.01 2.01 -0.19 -0.46 115.64 122.00 1sfp s THR 34 Ca 0.05 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 1sfp s THR 34 Cb -0.13 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1sfp s THR 34 CO 0.02 0.34 0.37 -0.63 -0.69 0.00 0.00 174.62 174.02 1sfp s ILE 35 N 1.31 5.18 -0.22 1.82 1.01 0.76 -0.47 121.20 130.59 1sfp s ILE 35 Ca 0.02 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1sfp s ILE 35 Cb -0.15 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1sfp s ILE 35 CO -0.08 0.18 -0.12 -1.10 0.00 0.00 0.00 174.94 173.83 1sfp s GLN 36 N 1.90 2.24 0.36 2.79 -0.21 -0.14 -1.82 119.66 124.79 1sfp s GLN 36 Ca 0.16 -1.06 0.07 0.00 0.02 0.00 0.00 55.36 54.54 1sfp s GLN 36 Cb -0.15 -2.65 -0.01 0.00 1.00 0.00 0.00 33.01 31.19 1sfp s GLN 36 CO 0.09 -0.47 0.44 -1.64 -2.12 0.00 0.00 175.29 171.60 1sfp s MET 37 N 1.26 2.92 0.91 2.91 -1.94 -0.17 -4.53 119.30 120.65 1sfp s MET 37 Ca -0.04 -1.17 -0.10 0.00 -1.71 0.00 0.00 55.69 52.67 1sfp s MET 37 Cb -0.17 -2.69 0.14 0.00 2.01 0.00 0.00 34.83 34.11 1sfp s MET 37 CO -0.07 -0.02 1.09 -2.30 -0.01 0.00 0.00 175.02 173.71 1sfp n PRO 38 N -1.62 -0.41 -0.29 2.03 -0.02 -1.26 -4.83 135.00 128.61 1sfp n PRO 38 Ca 0.02 -0.05 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1sfp n PRO 38 Cb 0.59 -2.34 0.25 0.00 -0.02 0.00 0.00 33.50 31.98 1sfp n PRO 38 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sfp h PRO 39 N -1.81 0.39 -0.52 0.52 0.11 -1.98 -1.87 132.00 126.84 1sfp h PRO 39 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sfp h PRO 39 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sfp h PRO 39 CO 0.41 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1sfp n GLU 40 N -5.05 2.20 -2.99 1.05 1.02 -1.26 -4.74 120.64 110.87 1sfp n GLU 40 Ca 0.19 -1.85 -0.20 0.00 -0.02 0.00 0.00 57.16 55.28 1sfp n GLU 40 Cb 0.56 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1sfp n GLU 40 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1sfp s TYR 41 N -1.32 2.96 0.47 -0.32 1.51 -0.71 -4.95 117.35 114.99 1sfp s TYR 41 Ca 0.34 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1sfp s TYR 41 Cb 0.18 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1sfp s TYR 41 CO 0.23 -0.46 0.01 -1.01 -1.11 0.00 0.00 175.55 173.21 1sfp s HIS 42 N -2.47 2.12 -0.06 2.71 3.76 0.24 -3.62 115.29 117.97 1sfp s HIS 42 Ca 0.52 -0.85 0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1sfp s HIS 42 Cb -0.10 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1sfp s HIS 42 CO 0.35 0.31 -0.21 0.08 -0.85 0.00 0.00 174.74 174.42 1sfp s VAL 43 N -2.82 2.45 -0.10 -0.90 1.01 -1.26 -0.72 120.40 118.06 1sfp s VAL 43 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1sfp s VAL 43 Cb 0.05 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1sfp s VAL 43 CO 0.09 0.57 -0.09 -0.60 0.00 0.00 0.00 175.10 175.07 1sfp s ARG 44 N -0.27 3.08 -0.08 2.72 6.06 0.28 -1.49 118.95 129.25 1sfp s ARG 44 Ca 0.00 -0.61 0.04 0.00 -2.50 0.00 0.00 55.73 52.66 1sfp s ARG 44 Cb -0.13 -2.63 0.00 0.00 0.06 0.00 0.00 34.95 32.25 1sfp s ARG 44 CO 0.03 0.44 -0.20 0.08 -2.50 0.00 0.00 175.30 173.15 1sfp s VAL 45 N -0.23 1.71 -0.05 7.11 1.01 0.12 -0.86 120.40 129.21 1sfp s VAL 45 Ca 0.02 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1sfp s VAL 45 Cb -0.13 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1sfp s VAL 45 CO 0.03 0.48 -0.17 -0.44 0.00 0.00 0.00 175.10 175.00 1sfp s SER 46 N 0.35 2.20 -0.23 3.32 0.01 -0.48 -0.24 113.70 118.63 1sfp s SER 46 Ca -0.14 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1sfp s SER 46 Cb -0.16 -0.71 0.06 0.00 0.21 0.00 0.00 66.02 65.42 1sfp s SER 46 CO 0.06 0.14 -0.03 -0.63 0.41 0.00 0.00 173.24 173.19 1sfp s ILE 47 N 0.16 1.33 0.09 1.44 1.01 -0.57 -1.03 121.20 123.64 1sfp s ILE 47 Ca -0.07 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 1sfp s ILE 47 Cb -0.13 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 1sfp s ILE 47 CO 0.03 -0.16 1.41 1.56 0.00 0.00 0.00 174.94 177.78 1sfp h GLN 48 N 8.01 0.64 -3.00 2.79 1.08 -1.83 -1.20 115.11 121.59 1sfp h GLN 48 Ca -0.17 -0.34 -0.18 0.00 -1.45 0.00 0.00 58.65 56.51 1sfp h GLN 48 Cb 1.08 0.01 -0.29 0.00 -0.05 0.00 0.00 27.48 28.23 1sfp h GLN 48 CO 0.40 0.94 -0.46 0.71 -0.95 0.00 0.00 178.83 179.48 1sfp s TYR 49 N -4.36 -0.35 -0.08 2.96 2.02 -1.26 -1.02 117.35 115.27 1sfp s TYR 49 Ca -0.13 0.82 0.02 0.00 -0.37 0.00 0.00 57.07 57.41 1sfp s TYR 49 Cb 0.08 0.08 0.02 0.00 -0.40 0.00 0.00 41.96 41.73 1sfp s TYR 49 CO 0.82 -0.23 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.28 1sfp s LEU 50 N 1.11 1.58 -0.37 -1.29 2.96 0.54 -4.78 118.68 118.43 1sfp s LEU 50 Ca -0.08 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1sfp s LEU 50 Cb -0.09 -0.87 0.15 0.00 0.50 0.00 0.00 46.19 45.88 1sfp s LEU 50 CO -0.08 0.01 0.24 -1.10 -1.32 0.00 0.00 176.35 174.10 1sfp s GLN 51 N 0.87 0.71 0.29 1.98 -0.21 -1.26 -2.58 119.66 119.46 1sfp s GLN 51 Ca -0.10 -1.56 0.05 0.00 0.02 0.00 0.00 55.36 53.76 1sfp s GLN 51 Cb -0.15 -1.44 -0.02 0.00 1.00 0.00 0.00 33.01 32.39 1sfp s GLN 51 CO 0.01 -1.24 0.42 -0.51 -2.12 0.00 0.00 175.29 171.86 1sfp s LEU 52 N 0.78 4.16 -0.67 2.90 1.43 -0.74 -4.85 118.68 121.69 1sfp s LEU 52 Ca 0.21 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.08 1sfp s LEU 52 Cb -0.18 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.20 1sfp s LEU 52 CO -0.03 -0.23 1.17 0.21 0.23 0.00 0.00 176.35 177.70 1sfp s ASN 53 N -4.05 6.24 0.42 2.29 3.84 -1.26 -4.80 114.94 117.61 1sfp s ASN 53 Ca 0.38 -0.43 0.29 0.00 0.21 0.00 0.00 52.86 53.32 1sfp s ASN 53 Cb -0.09 -2.52 1.46 0.00 -0.55 0.00 0.00 41.25 39.54 1sfp s ASN 53 CO 0.31 -1.63 1.88 0.00 -2.79 0.00 0.00 177.10 174.87 1sfp h ASN 55 N 0.00 0.00 0.00 0.00 4.21 -2.02 -3.38 115.58 114.39 1sfp h ASN 55 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1sfp h ASN 55 Cb 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1sfp h ASN 55 CO 0.00 0.46 0.00 0.29 -1.29 0.00 0.00 177.43 176.89 1sfp n LYS 56 N -3.44 3.57 -3.68 0.81 5.02 0.12 -4.98 118.16 115.59 1sfp n LYS 56 Ca 0.00 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1sfp n LYS 56 Cb 0.61 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 35.01 1sfp n LYS 56 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1sfp s GLU 57 N -0.55 1.43 0.15 1.97 -1.05 -0.45 -0.54 118.70 119.66 1sfp s GLU 57 Ca 0.00 -0.78 -0.24 0.00 -0.15 0.00 0.00 54.97 53.80 1sfp s GLU 57 Cb 0.00 0.56 0.06 0.00 -0.44 0.00 0.00 34.13 34.31 1sfp s GLU 57 CO 0.00 -0.62 0.74 -1.54 0.95 0.00 0.00 175.26 174.78 1sfp s SER 58 N -2.85 -0.40 -0.05 0.83 1.04 0.19 -4.30 113.70 108.16 1sfp s SER 58 Ca 0.07 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.36 1sfp s SER 58 Cb -0.02 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1sfp s SER 58 CO -0.04 -0.98 -0.23 -0.22 0.98 0.00 0.00 173.24 172.75 1sfp s LEU 59 N -2.76 2.03 -0.03 2.42 2.96 -1.13 -1.45 118.68 120.73 1sfp s LEU 59 Ca 0.06 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1sfp s LEU 59 Cb -0.02 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1sfp s LEU 59 CO -0.05 0.23 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.32 1sfp s GLU 60 N -0.15 1.63 -0.14 1.98 2.12 0.28 -0.01 118.70 124.41 1sfp s GLU 60 Ca -0.03 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.66 1sfp s GLU 60 Cb -0.13 -1.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 1sfp s GLU 60 CO 0.03 0.34 -0.13 0.42 -0.54 0.00 0.00 175.26 175.37 1sfp s ILE 61 N -0.24 2.96 -0.08 -3.70 -1.09 -0.04 -1.05 121.20 117.96 1sfp s ILE 61 Ca 0.03 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1sfp s ILE 61 Cb -0.09 -2.24 0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1sfp s ILE 61 CO 0.01 0.52 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.44 1sfp s ILE 62 N 0.49 1.51 -1.50 2.92 1.01 0.30 -0.49 121.20 125.43 1sfp s ILE 62 Ca -0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 1sfp s ILE 62 Cb -0.16 -1.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 1sfp s ILE 62 CO 0.04 0.44 2.61 -0.67 0.00 0.00 0.00 174.94 177.37 1sfp n ASP 63 N 3.79 7.35 0.00 3.58 2.03 -0.08 -0.63 116.55 132.59 1sfp n ASP 63 Ca -0.21 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1sfp n ASP 63 Cb 0.52 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 1sfp n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sfp n GLY 64 N 3.24 0.32 3.82 0.27 0.00 -1.12 -4.54 105.19 107.18 1sfp n GLY 64 Ca 0.67 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1sfp n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfp s LEU 65 N 0.00 2.81 0.25 0.99 1.43 -1.26 -2.40 118.68 120.50 1sfp s LEU 65 Ca 0.00 1.37 -0.31 0.00 -1.03 0.00 0.00 54.13 54.16 1sfp s LEU 65 Cb 0.00 -4.10 -0.14 0.00 0.03 0.00 0.00 46.19 41.98 1sfp s LEU 65 CO 0.00 -1.68 1.30 -2.65 0.23 0.00 0.00 176.35 173.55 1sfp n PRO 66 N -3.26 1.83 0.00 1.29 -0.02 -1.26 -1.53 135.00 132.06 1sfp n PRO 66 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1sfp n PRO 66 Cb 0.56 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1sfp n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sfp n GLY 67 N 1.81 2.14 3.92 -1.23 0.00 -1.26 -5.08 105.19 105.49 1sfp n GLY 67 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1sfp n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sfp s SER 68 N -1.58 5.15 0.30 1.61 0.01 -0.58 -5.00 113.70 113.60 1sfp s SER 68 Ca 0.00 0.62 -0.29 0.00 1.31 0.00 0.00 55.95 57.59 1sfp s SER 68 Cb 0.00 -1.41 -0.13 0.00 0.21 0.00 0.00 66.02 64.70 1sfp s SER 68 CO 0.00 -1.39 1.36 -2.65 0.41 0.00 0.00 173.24 170.97 1sfp n PRO 69 N -2.82 2.15 -2.95 12.44 -0.02 -1.26 -4.67 135.00 137.87 1sfp n PRO 69 Ca 0.07 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.91 1sfp n PRO 69 Cb 0.59 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1sfp n PRO 69 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sfp s VAL 70 N -0.63 4.44 -0.07 -1.45 1.01 -1.26 -0.91 120.40 121.53 1sfp s VAL 70 Ca 0.61 1.74 0.20 0.00 0.00 0.00 0.00 61.98 64.52 1sfp s VAL 70 Cb -0.59 -4.16 -0.30 0.00 0.00 0.00 0.00 36.38 31.33 1sfp s VAL 70 CO 0.57 0.47 0.35 0.18 0.00 0.00 0.00 175.10 176.67 1sfp n LEU 71 N 1.95 0.00 0.00 3.92 4.77 0.35 -4.92 117.00 123.07 1sfp n LEU 71 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1sfp n LEU 71 Cb 0.49 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1sfp n LEU 71 CO 0.47 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1sfp n GLY 72 N 1.45 1.25 3.10 -0.72 0.00 -1.19 -4.99 105.19 104.10 1sfp n GLY 72 Ca -0.11 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1sfp n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sfp s LYS 73 N -1.64 1.95 0.07 1.61 2.20 -1.26 -0.86 119.74 121.81 1sfp s LYS 73 Ca 0.00 -1.70 0.09 0.00 -0.36 0.00 0.00 55.97 54.00 1sfp s LYS 73 Cb 0.00 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1sfp s LYS 73 CO 0.00 -0.92 -0.24 0.96 -0.36 0.00 0.00 175.35 174.79 1sfp s ILE 74 N 1.09 2.33 0.00 5.43 -4.36 0.99 -4.95 121.20 121.73 1sfp s ILE 74 Ca 0.05 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1sfp s ILE 74 Cb -0.21 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1sfp s ILE 74 CO -0.05 0.29 0.00 0.00 0.24 0.00 0.00 174.94 175.42 1sfp s GLU 76 N -1.08 0.12 0.00 0.00 2.12 -1.26 -1.79 118.70 116.81 1sfp s GLU 76 Ca 0.00 0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.88 1sfp s GLU 76 Cb 0.00 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1sfp s GLU 76 CO 0.00 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1sfp n GLY 77 N 4.77 -1.32 3.59 -1.50 0.00 -1.07 -5.02 105.19 104.65 1sfp n GLY 77 Ca -0.16 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1sfp n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfp s SER 78 N -2.79 -0.17 -1.57 1.61 1.04 -1.26 -0.34 113.70 110.23 1sfp s SER 78 Ca 0.00 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 1sfp s SER 78 Cb 0.00 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1sfp s SER 78 CO 0.00 -1.13 0.62 0.18 0.98 0.00 0.00 173.24 173.89 1sfp n LEU 79 N -0.37 -2.69 -4.73 2.42 4.77 -0.19 -4.93 117.00 111.28 1sfp n LEU 79 Ca -0.05 -0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 55.25 1sfp n LEU 79 Cb 0.62 -2.98 -0.05 0.00 -2.33 0.00 0.00 43.42 38.67 1sfp n LEU 79 CO 0.19 0.24 0.26 -0.04 -1.33 0.00 0.00 177.39 176.72 1sfp s MET 80 N -5.72 4.35 -0.09 3.23 -1.94 -0.47 -4.97 119.30 113.70 1sfp s MET 80 Ca 0.31 0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 54.93 1sfp s MET 80 Cb -0.14 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.32 1sfp s MET 80 CO 0.38 0.20 -0.07 0.34 -0.01 0.00 0.00 175.02 175.86 1sfp s ASP 81 N 0.43 1.92 -0.03 3.03 2.15 -1.26 -1.51 116.67 121.40 1sfp s ASP 81 Ca 0.30 -0.25 0.07 0.00 0.43 0.00 0.00 52.55 53.10 1sfp s ASP 81 Cb -0.17 -0.74 -0.01 0.00 -0.30 0.00 0.00 42.92 41.70 1sfp s ASP 81 CO 0.14 -0.10 -0.23 -0.31 -0.17 0.00 0.00 175.17 174.50 1sfp s TYR 82 N 1.53 2.19 -0.06 -5.34 2.02 0.67 -4.98 117.35 113.36 1sfp s TYR 82 Ca 0.01 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.23 1sfp s TYR 82 Cb -0.13 -1.42 -0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1sfp s TYR 82 CO -0.05 -0.11 -0.21 0.50 -1.57 0.00 0.00 175.55 174.11 1sfp s ARG 83 N -0.36 2.34 0.57 -0.62 3.52 -1.26 0.12 118.95 123.25 1sfp s ARG 83 Ca 0.03 -0.75 -0.17 0.00 -0.13 0.00 0.00 55.73 54.72 1sfp s ARG 83 Cb -0.11 -1.92 -0.05 0.00 -1.56 0.00 0.00 34.95 31.31 1sfp s ARG 83 CO 0.01 0.25 1.05 -1.54 -0.81 0.00 0.00 175.30 174.26 1sfp s SER 84 N 0.12 5.94 0.31 -2.12 1.04 -0.55 -4.97 113.70 113.47 1sfp s SER 84 Ca -0.09 1.82 0.22 0.00 0.48 0.00 0.00 55.95 58.39 1sfp s SER 84 Cb -0.14 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.60 1sfp s SER 84 CO 0.05 -1.06 1.33 0.77 0.98 0.00 0.00 173.24 175.30 1sfp h SER 85 N 0.67 0.00 0.00 7.02 4.64 -1.87 -3.42 113.55 120.59 1sfp h SER 85 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sfp h SER 85 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1sfp h SER 85 CO 0.58 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1sfp n GLY 86 N 1.15 5.26 0.07 -0.77 0.00 -1.26 -5.04 105.19 104.61 1sfp n GLY 86 Ca 0.02 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1sfp n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sfp n SER 87 N 0.00 0.82 -4.23 1.61 7.64 -1.24 -4.07 113.62 114.15 1sfp n SER 87 Ca 0.00 -0.63 -0.26 0.00 1.01 0.00 0.00 58.87 58.99 1sfp n SER 87 Cb 0.00 0.45 -0.15 0.00 -1.01 0.00 0.00 64.21 63.50 1sfp n SER 87 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sfp s ILE 88 N -2.89 1.59 0.00 0.44 1.01 -1.26 -1.00 121.20 119.10 1sfp s ILE 88 Ca 0.13 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1sfp s ILE 88 Cb 0.17 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1sfp s ILE 88 CO 0.71 0.28 -0.00 -0.32 0.00 0.00 0.00 174.94 175.61 1sfp s MET 89 N -0.91 0.12 -0.06 2.79 1.75 -0.75 -2.80 119.30 119.43 1sfp s MET 89 Ca 0.07 -0.20 0.05 0.00 -1.25 0.00 0.00 55.69 54.36 1sfp s MET 89 Cb -0.08 0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.61 1sfp s MET 89 CO 0.01 -0.02 -0.19 0.99 -0.65 0.00 0.00 175.02 175.16 1sfp s THR 90 N -0.51 2.65 -0.19 10.11 2.01 0.20 -0.17 115.64 129.75 1sfp s THR 90 Ca -0.06 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1sfp s THR 90 Cb -0.03 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1sfp s THR 90 CO -0.00 0.58 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.75 1sfp s VAL 91 N -0.45 3.37 -0.09 3.82 1.01 0.39 -0.54 120.40 127.90 1sfp s VAL 91 Ca 0.05 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1sfp s VAL 91 Cb -0.12 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1sfp s VAL 91 CO 0.02 0.46 -0.22 -0.75 0.00 0.00 0.00 175.10 174.61 1sfp s LYS 92 N 1.01 2.78 -0.02 2.72 2.20 -0.21 0.04 119.74 128.27 1sfp s LYS 92 Ca 0.00 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1sfp s LYS 92 Cb -0.15 -2.13 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1sfp s LYS 92 CO -0.00 0.14 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.54 1sfp s TYR 93 N 0.42 2.74 0.00 4.03 5.04 0.30 -0.56 117.35 129.33 1sfp s TYR 93 Ca -0.18 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1sfp s TYR 93 Cb -0.17 -1.60 -0.00 0.00 0.35 0.00 0.00 41.96 40.53 1sfp s TYR 93 CO 0.08 0.26 -0.02 0.42 -1.34 0.00 0.00 175.55 174.94 1sfp s ILE 94 N -0.84 0.14 0.11 3.14 1.01 -0.53 -0.70 121.20 123.53 1sfp s ILE 94 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1sfp s ILE 94 Cb -0.11 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 1sfp s ILE 94 CO 0.03 -0.04 0.12 0.00 0.00 0.00 0.00 174.94 175.05 1sfp s ARG 95 N -0.26 0.87 0.36 2.79 1.70 -0.40 -0.64 118.95 123.38 1sfp s ARG 95 Ca -0.02 -1.20 -0.26 0.00 -0.47 0.00 0.00 55.73 53.79 1sfp s ARG 95 Cb -0.02 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1sfp s ARG 95 CO -0.00 -0.26 1.06 -1.21 -1.08 0.00 0.00 175.30 173.81 1sfp s GLU 96 N -3.95 4.33 0.36 3.89 0.41 0.30 -4.80 118.70 119.23 1sfp s GLU 96 Ca 0.13 1.60 0.07 0.00 -0.41 0.00 0.00 54.97 56.37 1sfp s GLU 96 Cb 0.06 -2.76 0.78 0.00 -1.78 0.00 0.00 34.13 30.43 1sfp s GLU 96 CO -0.05 -0.02 1.92 -1.00 -0.49 0.00 0.00 175.26 175.62 1sfp h PRO 97 N 2.95 0.71 0.00 0.39 0.13 -1.94 -0.74 132.00 133.49 1sfp h PRO 97 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1sfp h PRO 97 Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1sfp h PRO 97 CO 0.64 0.47 0.00 0.93 -0.23 0.00 0.00 178.00 179.81 1sfp h GLU 98 N 0.73 0.00 -4.98 0.86 5.08 -1.98 -3.44 114.58 110.85 1sfp h GLU 98 Ca 0.37 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 58.09 1sfp h GLU 98 Cb 0.46 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.52 1sfp h GLU 98 CO -0.14 0.00 -0.56 -1.58 -1.00 0.00 0.00 179.01 175.72 1sfp s HIS 99 N -3.36 3.18 0.25 4.33 2.46 -0.29 -5.08 115.29 116.79 1sfp s HIS 99 Ca 0.05 -0.08 -0.30 0.00 0.47 0.00 0.00 55.06 55.20 1sfp s HIS 99 Cb 0.09 -2.28 -0.10 0.00 -0.13 0.00 0.00 32.58 30.16 1sfp s HIS 99 CO 0.52 -0.18 1.38 -1.25 -2.47 0.00 0.00 174.74 172.74 1sfp s PRO 100 N 1.47 4.31 0.34 2.88 0.04 -1.26 -4.66 135.00 138.13 1sfp s PRO 100 Ca 0.06 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 1sfp s PRO 100 Cb -0.15 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1sfp s PRO 100 CO 0.06 -0.33 1.42 0.00 0.04 0.00 0.00 177.00 178.19 1sfp s ALA 101 N -0.21 3.56 0.69 8.56 0.00 -1.26 -5.01 121.76 128.10 1sfp s ALA 101 Ca 0.57 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.85 1sfp s ALA 101 Cb -0.40 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1sfp s ALA 101 CO 0.44 -0.87 1.07 -1.12 0.00 0.00 0.00 175.76 175.28 1sfp s SER 102 N -0.17 5.56 0.31 0.00 0.01 -1.26 -5.02 113.70 113.14 1sfp s SER 102 Ca 0.53 1.29 -0.29 0.00 1.31 0.00 0.00 55.95 58.79 1sfp s SER 102 Cb -0.44 -2.17 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 1sfp s SER 102 CO 0.56 -1.28 1.28 0.12 0.41 0.00 0.00 173.24 174.33 1sfp s PHE 103 N -3.25 3.13 0.02 2.43 5.36 -1.26 -4.80 117.98 119.62 1sfp s PHE 103 Ca 0.57 1.43 -0.21 0.00 -0.96 0.00 0.00 56.93 57.76 1sfp s PHE 103 Cb -0.12 -3.63 0.05 0.00 -0.34 0.00 0.00 43.02 38.98 1sfp s PHE 103 CO 0.53 -1.70 0.48 1.52 -1.46 0.00 0.00 175.22 174.58 1sfp s TYR 104 N -1.03 -0.37 -0.04 10.12 -0.85 -1.26 -4.72 117.35 119.19 1sfp s TYR 104 Ca 0.49 0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 57.49 1sfp s TYR 104 Cb -0.39 0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.26 1sfp s TYR 104 CO 0.50 -0.58 0.08 -2.00 -1.52 0.00 0.00 175.55 172.03 1sfp s GLU 105 N -2.08 -0.03 -0.12 -3.49 2.12 -1.26 -2.53 118.70 111.31 1sfp s GLU 105 Ca -0.07 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1sfp s GLU 105 Cb -0.01 -0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.05 1sfp s GLU 105 CO 0.01 -0.25 -0.18 0.08 -0.54 0.00 0.00 175.26 174.38 1sfp s VAL 106 N 1.69 1.74 0.04 3.70 1.01 0.62 -4.65 120.40 124.55 1sfp s VAL 106 Ca -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1sfp s VAL 106 Cb -0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1sfp s VAL 106 CO -0.04 0.49 0.29 -0.76 0.00 0.00 0.00 175.10 175.08 1sfp s LEU 107 N 0.90 4.35 0.04 3.92 1.43 -0.20 -0.50 118.68 128.63 1sfp s LEU 107 Ca -0.07 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1sfp s LEU 107 Cb -0.15 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1sfp s LEU 107 CO -0.01 0.20 -0.09 -0.72 0.23 0.00 0.00 176.35 175.96 1sfp s TYR 108 N -1.40 0.76 0.01 0.29 1.13 -0.71 -1.38 117.35 116.05 1sfp s TYR 108 Ca 0.31 -0.46 0.02 0.00 -1.41 0.00 0.00 57.07 55.53 1sfp s TYR 108 Cb -0.13 -0.45 -0.01 0.00 -1.10 0.00 0.00 41.96 40.27 1sfp s TYR 108 CO 0.19 -0.05 -0.07 -0.06 -2.51 0.00 0.00 175.55 173.05 1sfp s PHE 109 N -1.25 0.59 0.25 -3.49 0.40 -0.04 -1.79 117.98 112.65 1sfp s PHE 109 Ca -0.07 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 1sfp s PHE 109 Cb -0.09 -0.37 -0.09 0.00 0.51 0.00 0.00 43.02 42.97 1sfp s PHE 109 CO 0.01 -0.03 1.28 -1.14 0.70 0.00 0.00 175.22 176.04 1sfp s GLN 110 N -0.60 4.42 -0.19 0.44 0.74 0.10 -0.56 119.66 124.02 1sfp s GLN 110 Ca -0.01 2.06 -0.01 0.00 0.05 0.00 0.00 55.36 57.45 1sfp s GLN 110 Cb -0.05 -3.16 0.05 0.00 1.10 0.00 0.00 33.01 30.95 1sfp s GLN 110 CO 0.00 -0.17 -0.04 0.34 -0.55 0.00 0.00 175.29 174.87 1sfp s ASP 111 N -0.07 3.08 0.87 6.67 -1.08 0.10 -2.94 116.67 123.30 1sfp s ASP 111 Ca 0.53 -0.80 -0.12 0.00 -0.52 0.00 0.00 52.55 51.63 1sfp s ASP 111 Cb -0.37 -0.93 0.11 0.00 -1.46 0.00 0.00 42.92 40.28 1sfp s ASP 111 CO 0.43 -0.21 1.13 -2.16 0.52 0.00 0.00 175.17 174.87 1sfp s PRO 112 N 1.61 1.50 0.82 4.34 0.04 -1.26 -0.59 135.00 141.46 1sfp s PRO 112 Ca -0.01 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.29 1sfp s PRO 112 Cb -0.16 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.59 1sfp s PRO 112 CO -0.07 -1.97 1.09 -0.65 0.04 0.00 0.00 177.00 175.44 1sfp s GLN 113 N -5.27 1.90 0.00 4.56 -1.52 -1.15 -4.91 119.66 113.27 1sfp s GLN 113 Ca 0.63 0.95 0.00 0.00 -1.95 0.00 0.00 55.36 54.98 1sfp s GLN 113 Cb -0.14 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 1sfp s GLN 113 CO 0.53 -1.83 0.30 0.00 -0.25 0.00 0.00 175.29 174.04