#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fnt s SER 2 N 0.00 -0.75 0.37 3.42 0.01 -1.26 -1.53 113.70 113.96 1fnt s SER 2 Ca 0.00 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.24 1fnt s SER 2 Cb 0.00 1.30 -0.03 0.00 0.21 0.00 0.00 66.02 67.50 1fnt s SER 2 CO 0.00 -0.12 0.12 0.27 0.41 0.00 0.00 173.24 173.92 1fnt s ILE 3 N 2.60 0.66 0.00 1.44 -4.36 0.61 -2.91 121.20 119.24 1fnt s ILE 3 Ca 0.20 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1fnt s ILE 3 Cb -0.03 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1fnt s ILE 3 CO -0.20 0.00 0.00 1.15 0.24 0.00 0.00 174.94 176.13 1fnt n MET 4 N -0.80 -0.95 -3.68 0.37 0.00 -1.05 -2.21 117.12 108.80 1fnt n MET 4 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.55 1fnt n MET 4 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.78 1fnt n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fnt s ALA 5 N -2.00 -1.33 -0.04 3.17 0.00 -0.87 -2.31 121.76 118.38 1fnt s ALA 5 Ca 0.00 1.71 0.04 0.00 0.00 0.00 0.00 51.96 53.71 1fnt s ALA 5 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 1fnt s ALA 5 CO 0.00 -0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.38 1fnt s VAL 6 N 1.04 1.43 0.12 0.00 1.01 -0.41 -2.07 120.40 121.51 1fnt s VAL 6 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1fnt s VAL 6 Cb -0.06 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1fnt s VAL 6 CO -0.09 0.41 0.28 0.42 0.00 0.00 0.00 175.10 176.11 1fnt s THR 7 N 0.04 5.32 0.00 3.92 -4.23 -1.23 -0.64 115.64 118.83 1fnt s THR 7 Ca -0.04 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1fnt s THR 7 Cb -0.12 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1fnt s THR 7 CO 0.02 0.00 0.00 2.22 -0.54 0.00 0.00 174.62 176.32 1fnt n PHE 8 N -0.18 0.00 -0.04 3.99 -1.74 0.31 -4.57 117.46 115.23 1fnt n PHE 8 Ca -0.06 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.86 1fnt n PHE 8 Cb 0.53 0.00 0.36 0.00 1.52 0.00 0.00 39.48 41.88 1fnt n PHE 8 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 1fnt h LYS 9 N 0.00 0.62 -0.03 3.97 1.57 -1.89 -2.90 116.57 117.91 1fnt h LYS 9 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1fnt h LYS 9 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1fnt h LYS 9 CO 0.00 0.47 -0.12 -0.25 -0.57 0.00 0.00 179.45 178.98 1fnt n ASP 10 N -4.41 2.75 0.00 0.86 8.00 -1.26 -5.05 116.55 117.44 1fnt n ASP 10 Ca 0.03 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1fnt n ASP 10 Cb 0.11 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1fnt n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fnt n GLY 11 N 1.37 0.56 3.58 0.44 0.00 -1.10 -4.08 105.19 105.97 1fnt n GLY 11 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1fnt n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fnt s VAL 12 N 0.00 0.00 -0.01 1.61 0.11 -1.22 -0.53 120.40 120.37 1fnt s VAL 12 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1fnt s VAL 12 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1fnt s VAL 12 CO 0.00 0.00 0.00 -0.63 -3.33 0.00 0.00 175.10 171.14 1fnt s ILE 13 N -1.05 0.03 -0.03 7.04 1.01 0.18 -2.81 121.20 125.57 1fnt s ILE 13 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1fnt s ILE 13 Cb -0.01 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 1fnt s ILE 13 CO 0.01 0.04 -0.21 -1.48 0.00 0.00 0.00 174.94 173.29 1fnt s LEU 14 N 0.30 2.32 0.04 2.97 0.05 -1.13 -1.29 118.68 121.95 1fnt s LEU 14 Ca -0.03 -0.37 -0.03 0.00 0.05 0.00 0.00 54.13 53.75 1fnt s LEU 14 Cb -0.04 -1.42 -0.02 0.00 -2.05 0.00 0.00 46.19 42.66 1fnt s LEU 14 CO -0.01 0.33 0.04 -0.83 -0.55 0.00 0.00 176.35 175.33 1fnt s GLY 15 N -0.69 0.27 0.32 -3.48 0.00 -0.98 -1.43 107.32 101.34 1fnt s GLY 15 Ca 0.11 -0.77 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 1fnt s GLY 15 CO -0.00 -0.90 0.70 0.00 0.00 0.00 0.00 173.10 172.90 1fnt s ALA 16 N -2.92 -0.81 1.00 3.20 0.00 -1.02 -2.53 121.76 118.68 1fnt s ALA 16 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1fnt s ALA 16 Cb 0.01 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1fnt s ALA 16 CO -0.06 -0.98 0.00 -0.40 0.00 0.00 0.00 175.76 174.32 1fnt n ASP 17 N -0.84 0.00 0.00 0.00 5.68 -1.14 -2.17 116.55 118.08 1fnt n ASP 17 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1fnt n ASP 17 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1fnt n ASP 17 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1fnt n SER 18 N 0.00 1.31 -4.69 -1.12 3.41 -0.93 -4.54 113.62 107.07 1fnt n SER 18 Ca 0.00 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1fnt n SER 18 Cb 0.00 0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1fnt n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1fnt s ARG 19 N -0.56 4.28 -0.14 4.33 3.52 -0.88 -0.88 118.95 128.62 1fnt s ARG 19 Ca 0.00 1.98 -0.00 0.00 -0.13 0.00 0.00 55.73 57.58 1fnt s ARG 19 Cb 0.00 -3.58 0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1fnt s ARG 19 CO 0.00 -0.59 -0.08 0.95 -0.81 0.00 0.00 175.30 174.77 1fnt s THR 20 N 2.45 1.19 -0.16 4.11 -4.23 -1.23 -3.60 115.64 114.18 1fnt s THR 20 Ca 0.64 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1fnt s THR 20 Cb -0.32 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 1fnt s THR 20 CO 0.27 0.31 -0.07 0.42 -0.54 0.00 0.00 174.62 175.00 1fnt s THR 21 N 1.63 3.48 -0.48 3.99 -4.23 -1.26 -1.46 115.64 117.30 1fnt s THR 21 Ca 0.03 -0.50 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1fnt s THR 21 Cb -0.14 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.28 1fnt s THR 21 CO -0.09 0.49 0.41 0.42 -0.54 0.00 0.00 174.62 175.31 1fnt s THR 22 N 0.54 5.11 0.00 3.99 -4.23 0.30 -4.92 115.64 116.43 1fnt s THR 22 Ca -0.05 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1fnt s THR 22 Cb -0.15 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.58 1fnt s THR 22 CO 0.03 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1fnt n GLY 23 N 5.18 1.14 0.96 3.99 0.00 -1.26 -2.11 105.19 113.09 1fnt n GLY 23 Ca -0.12 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.20 1fnt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fnt n ALA 24 N 7.18 2.90 -2.58 4.61 0.00 -1.26 -4.88 120.51 126.47 1fnt n ALA 24 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 53.44 52.36 1fnt n ALA 24 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 1fnt n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1fnt s TYR 25 N -1.71 2.79 -0.56 0.00 5.04 -0.89 -5.09 117.35 116.91 1fnt s TYR 25 Ca 0.24 -0.12 -0.22 0.00 -2.44 0.00 0.00 57.07 54.54 1fnt s TYR 25 Cb 0.16 -1.51 0.06 0.00 0.35 0.00 0.00 41.96 41.02 1fnt s TYR 25 CO 0.10 0.39 0.82 0.42 -1.34 0.00 0.00 175.55 175.94 1fnt s ILE 26 N -1.10 4.57 0.04 3.14 1.01 -1.26 -0.54 121.20 127.06 1fnt s ILE 26 Ca 0.19 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1fnt s ILE 26 Cb -0.11 -4.49 -0.17 0.00 0.01 0.00 0.00 42.46 37.70 1fnt s ILE 26 CO 0.11 -1.09 1.46 0.00 0.00 0.00 0.00 174.94 175.41 1fnt h ALA 27 N 9.25 -0.43 -1.96 9.38 0.00 -1.60 -3.42 119.26 130.48 1fnt h ALA 27 Ca -0.27 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 1fnt h ALA 27 Cb 1.08 0.17 -0.31 0.00 0.00 0.00 0.00 17.79 18.73 1fnt h ALA 27 CO 1.07 -0.65 -0.62 1.21 0.00 0.00 0.00 179.25 180.26 1fnt s ASN 28 N -4.95 1.16 0.00 0.00 3.84 -1.25 -5.01 114.94 108.73 1fnt s ASN 28 Ca -0.15 -0.82 0.00 0.00 0.21 0.00 0.00 52.86 52.10 1fnt s ASN 28 Cb 0.03 0.71 0.00 0.00 -0.55 0.00 0.00 41.25 41.44 1fnt s ASN 28 CO 0.60 -0.35 0.45 -2.11 -2.79 0.00 0.00 177.10 172.90 1fnt n ARG 29 N 5.09 0.67 -3.18 0.43 1.85 -1.26 -3.57 116.66 116.70 1fnt n ARG 29 Ca 0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.65 1fnt n ARG 29 Cb 0.47 -1.23 -0.05 0.00 -1.05 0.00 0.00 32.46 30.60 1fnt n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1fnt n VAL 30 N -0.05 -0.49 -3.52 8.89 0.24 -1.21 -4.28 118.33 117.91 1fnt n VAL 30 Ca 0.00 -4.17 -0.38 0.00 -2.04 0.00 0.00 64.34 57.75 1fnt n VAL 30 Cb 0.11 -1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 31.18 1fnt n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1fnt s THR 31 N -1.61 5.08 -1.20 3.34 2.01 -0.06 -5.00 115.64 118.19 1fnt s THR 31 Ca 0.37 0.79 -0.05 0.00 0.31 0.00 0.00 61.69 63.10 1fnt s THR 31 Cb 0.24 -3.69 0.21 0.00 0.01 0.00 0.00 72.50 69.27 1fnt s THR 31 CO -0.10 0.57 1.95 -0.67 -0.69 0.00 0.00 174.62 175.67 1fnt n ASP 32 N 1.96 6.77 0.27 3.53 2.03 -1.26 -4.35 116.55 125.49 1fnt n ASP 32 Ca -0.14 -3.30 0.16 0.00 0.52 0.00 0.00 54.79 52.02 1fnt n ASP 32 Cb 0.52 -1.34 0.83 0.00 -0.72 0.00 0.00 41.12 40.42 1fnt n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1fnt h LYS 33 N 5.00 0.00 -5.72 -0.67 1.79 -1.94 -3.40 116.57 111.63 1fnt h LYS 33 Ca 0.48 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.37 1fnt h LYS 33 Cb 0.46 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 1fnt h LYS 33 CO 1.43 0.00 -0.04 -0.51 -1.08 0.00 0.00 179.45 179.25 1fnt s LEU 34 N -5.32 4.23 0.02 2.94 1.43 -1.26 -2.34 118.68 118.38 1fnt s LEU 34 Ca -0.03 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1fnt s LEU 34 Cb 0.09 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1fnt s LEU 34 CO 0.28 -0.10 -0.16 -0.89 0.23 0.00 0.00 176.35 175.71 1fnt s THR 35 N 1.07 1.27 -0.17 5.49 2.01 0.30 -4.96 115.64 120.65 1fnt s THR 35 Ca 0.28 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1fnt s THR 35 Cb -0.16 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1fnt s THR 35 CO 0.11 0.19 0.28 -0.60 -0.69 0.00 0.00 174.62 173.91 1fnt s ARG 36 N -0.82 4.25 -0.14 4.92 3.52 -1.26 0.13 118.95 129.55 1fnt s ARG 36 Ca 0.05 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 55.69 1fnt s ARG 36 Cb -0.07 -3.43 -0.08 0.00 -1.56 0.00 0.00 34.95 29.81 1fnt s ARG 36 CO 0.01 0.23 -0.15 1.33 -0.81 0.00 0.00 175.30 175.91 1fnt n VAL 37 N 3.61 0.79 -4.27 7.11 0.24 -0.74 -4.95 118.33 120.11 1fnt n VAL 37 Ca -0.12 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1fnt n VAL 37 Cb 0.52 -1.26 -0.10 0.00 -1.47 0.00 0.00 33.84 31.52 1fnt n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1fnt s HIS 38 N -2.27 1.38 0.22 6.34 5.65 -0.10 -4.71 115.29 121.79 1fnt s HIS 38 Ca -0.19 -1.20 -0.08 0.00 0.25 0.00 0.00 55.06 53.84 1fnt s HIS 38 Cb 0.06 -0.78 0.31 0.00 -1.18 0.00 0.00 32.58 30.99 1fnt s HIS 38 CO 0.29 -0.38 1.76 -0.44 -0.65 0.00 0.00 174.74 175.31 1fnt h ASP 39 N 2.50 0.32 -0.23 9.88 5.19 -2.02 -2.18 116.42 129.88 1fnt h ASP 39 Ca -0.37 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.06 1fnt h ASP 39 Cb 1.24 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.75 1fnt h ASP 39 CO 0.59 0.18 -0.04 0.29 -3.12 0.00 0.00 179.24 177.15 1fnt n LYS 40 N -4.95 2.28 -3.69 3.56 4.76 -1.26 -4.92 118.16 113.94 1fnt n LYS 40 Ca 0.10 -2.91 -0.24 0.00 -2.87 0.00 0.00 58.31 52.39 1fnt n LYS 40 Cb 0.28 -1.77 -0.17 0.00 -1.84 0.00 0.00 35.03 31.53 1fnt n LYS 40 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1fnt s ILE 41 N -2.97 0.15 0.34 -0.18 -1.09 -0.82 -2.05 121.20 114.58 1fnt s ILE 41 Ca 0.41 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1fnt s ILE 41 Cb 0.35 -0.55 -0.01 0.00 -1.58 0.00 0.00 42.46 40.66 1fnt s ILE 41 CO 0.05 -0.01 0.12 0.79 -1.23 0.00 0.00 174.94 174.65 1fnt n TRP 42 N 5.20 0.12 -3.47 3.97 7.02 -0.71 -0.93 117.44 128.65 1fnt n TRP 42 Ca -0.06 -2.16 -0.13 0.00 -1.02 0.00 0.00 57.50 54.12 1fnt n TRP 42 Cb 0.49 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 1fnt n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fnt s ARG 45 N 1.13 4.69 0.19 0.00 0.52 -0.99 -1.97 118.95 122.51 1fnt s ARG 45 Ca 0.01 1.41 0.08 0.00 -0.52 0.00 0.00 55.73 56.71 1fnt s ARG 45 Cb -0.14 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1fnt s ARG 45 CO -0.05 0.24 -0.17 0.45 0.02 0.00 0.00 175.30 175.79 1fnt s SER 46 N -0.08 2.66 1.27 0.23 0.15 -1.26 -4.87 113.70 111.80 1fnt s SER 46 Ca 0.46 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1fnt s SER 46 Cb -0.23 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1fnt s SER 46 CO 0.29 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1fnt n GLY 47 N -0.02 1.63 3.77 9.45 0.00 -1.26 -2.57 105.19 116.19 1fnt n GLY 47 Ca -0.11 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1fnt n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fnt s SER 48 N -4.00 6.14 0.00 1.61 0.15 -0.84 -4.99 113.70 111.77 1fnt s SER 48 Ca 0.00 3.00 0.00 0.00 0.70 0.00 0.00 55.95 59.65 1fnt s SER 48 Cb 0.00 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1fnt s SER 48 CO 0.00 -1.01 0.07 0.00 1.20 0.00 0.00 173.24 173.50 1fnt n ALA 49 N 0.18 0.00 -0.28 5.45 0.00 -1.26 -3.38 120.51 121.21 1fnt n ALA 49 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 1fnt n ALA 49 Cb 0.40 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.16 1fnt n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fnt n ALA 50 N -1.48 0.53 0.13 0.00 0.00 -1.26 -1.76 120.51 116.67 1fnt n ALA 50 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 53.44 54.26 1fnt n ALA 50 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1fnt n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1fnt h ASP 51 N 0.00 -0.29 -0.80 0.00 3.32 -1.91 -2.67 116.42 114.06 1fnt h ASP 51 Ca 0.55 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.80 1fnt h ASP 51 Cb 1.24 0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.73 1fnt h ASP 51 CO -0.74 -0.19 -0.00 0.71 -1.72 0.00 0.00 179.24 177.30 1fnt h THR 52 N -0.40 0.28 -0.19 0.35 1.35 -1.39 0.92 112.91 113.83 1fnt h THR 52 Ca -0.04 -0.03 0.05 0.00 -0.55 0.00 0.00 66.41 65.85 1fnt h THR 52 Cb 0.27 0.18 -0.06 0.00 -1.73 0.00 0.00 68.15 66.80 1fnt h THR 52 CO 0.06 0.02 -0.24 1.56 -0.25 0.00 0.00 175.52 176.67 1fnt h GLN 53 N 0.09 -0.26 -0.35 4.72 4.20 -1.38 -2.78 115.11 119.34 1fnt h GLN 53 Ca 0.44 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 59.08 1fnt h GLN 53 Cb 0.80 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1fnt h GLN 53 CO -0.72 -0.17 -0.17 0.00 -0.67 0.00 0.00 178.83 177.09 1fnt h ALA 54 N 0.74 1.05 0.18 3.87 0.00 -0.50 -3.01 119.26 121.58 1fnt h ALA 54 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1fnt h ALA 54 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1fnt h ALA 54 CO -0.34 0.58 -0.46 0.82 0.00 0.00 0.00 179.25 179.84 1fnt h ILE 55 N 0.58 0.10 -0.50 0.00 2.04 -1.00 -2.54 117.51 116.19 1fnt h ILE 55 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1fnt h ILE 55 Cb 0.62 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 1fnt h ILE 55 CO 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 178.15 177.72 1fnt h ALA 56 N -0.37 -0.62 -0.99 1.87 0.00 -1.43 -1.32 119.26 116.39 1fnt h ALA 56 Ca 0.00 0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.14 1fnt h ALA 56 Cb 0.73 1.14 -0.19 0.00 0.00 0.00 0.00 17.79 19.48 1fnt h ALA 56 CO -0.22 -0.89 -0.25 -0.44 0.00 0.00 0.00 179.25 177.45 1fnt h ASP 57 N -0.22 -0.93 0.17 0.00 5.19 -1.38 0.56 116.42 119.81 1fnt h ASP 57 Ca 0.08 0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1fnt h ASP 57 Cb 0.44 0.62 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1fnt h ASP 57 CO -0.59 -0.33 -0.08 0.40 -3.12 0.00 0.00 179.24 175.52 1fnt h ILE 58 N -0.00 0.86 0.14 0.35 2.04 -0.87 -2.48 117.51 117.55 1fnt h ILE 58 Ca 0.47 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 66.21 1fnt h ILE 58 Cb 0.72 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1fnt h ILE 58 CO -1.02 0.03 -0.18 0.58 0.00 0.00 0.00 178.15 177.57 1fnt h VAL 59 N -0.29 0.61 -0.94 1.67 2.07 0.40 0.14 116.25 119.90 1fnt h VAL 59 Ca -0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.77 1fnt h VAL 59 Cb 0.23 0.61 -0.14 0.00 -1.52 0.00 0.00 31.29 30.46 1fnt h VAL 59 CO 0.04 0.00 0.40 -0.61 0.02 0.00 0.00 177.57 177.42 1fnt h GLN 60 N -0.36 0.28 0.36 1.57 4.15 -0.02 0.89 115.11 121.98 1fnt h GLN 60 Ca 0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1fnt h GLN 60 Cb 0.36 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1fnt h GLN 60 CO -0.07 0.19 -0.17 -0.92 -1.93 0.00 0.00 178.83 175.92 1fnt h TYR 61 N 0.29 -0.45 -0.59 3.99 5.03 -0.61 -1.38 116.97 123.25 1fnt h TYR 61 Ca 0.63 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 62.05 1fnt h TYR 61 Cb 1.34 0.15 -0.09 0.00 1.55 0.00 0.00 36.73 39.68 1fnt h TYR 61 CO -0.14 -0.19 0.04 0.45 -1.32 0.00 0.00 178.16 177.01 1fnt h HIS 62 N -0.65 0.04 0.36 -3.82 3.86 0.98 -1.58 115.15 114.34 1fnt h HIS 62 Ca -0.05 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1fnt h HIS 62 Cb 0.47 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1fnt h HIS 62 CO -0.01 -0.11 -0.17 -0.07 0.86 0.00 0.00 177.93 178.42 1fnt h LEU 63 N 0.16 -0.41 -1.96 2.43 3.38 -1.27 0.53 115.31 118.18 1fnt h LEU 63 Ca 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1fnt h LEU 63 Cb 0.48 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1fnt h LEU 63 CO -0.47 -0.04 0.22 -0.08 0.09 0.00 0.00 178.44 178.17 1fnt h GLU 64 N -0.84 0.00 0.01 1.13 4.81 -1.18 0.29 114.58 118.81 1fnt h GLU 64 Ca -0.05 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.83 1fnt h GLU 64 Cb 0.53 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1fnt h GLU 64 CO 0.08 0.00 -2.19 -0.11 -0.73 0.00 0.00 179.01 176.06 1fnt n LEU 65 N -2.72 1.04 0.38 1.64 7.94 -0.60 -4.08 117.00 120.59 1fnt n LEU 65 Ca -0.02 0.10 -0.19 0.00 -1.11 0.00 0.00 56.01 54.80 1fnt n LEU 65 Cb 0.27 -0.01 -0.10 0.00 0.53 0.00 0.00 43.42 44.12 1fnt n LEU 65 CO 0.13 0.59 0.53 0.22 -1.11 0.00 0.00 177.39 177.75 1fnt h TYR 66 N 0.01 -1.30 -0.80 1.96 5.03 0.37 -3.16 116.97 119.07 1fnt h TYR 66 Ca -0.48 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 60.98 1fnt h TYR 66 Cb 2.10 0.48 -0.15 0.00 1.55 0.00 0.00 36.73 40.72 1fnt h TYR 66 CO 0.01 -0.69 -0.27 1.79 -1.32 0.00 0.00 178.16 177.68 1fnt h THR 67 N -1.11 0.15 0.00 1.81 1.35 -1.14 0.11 112.91 114.07 1fnt h THR 67 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1fnt h THR 67 Cb 0.91 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1fnt h THR 67 CO 0.05 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.78 1fnt n SER 68 N -5.50 0.00 0.00 5.36 3.41 -1.19 -1.88 113.62 113.81 1fnt n SER 68 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1fnt n SER 68 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1fnt n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fnt n GLN 69 N -0.77 0.00 -0.75 4.33 10.64 -0.14 -4.92 117.38 125.77 1fnt n GLN 69 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 1fnt n GLN 69 Cb 0.00 -0.33 0.28 0.00 -0.86 0.00 0.00 30.24 29.33 1fnt n GLN 69 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1fnt n TYR 70 N -1.28 1.60 -4.45 2.61 4.01 0.18 -5.08 117.16 114.75 1fnt n TYR 70 Ca 0.00 -1.10 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 1fnt n TYR 70 Cb 0.00 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 1fnt n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fnt n GLY 71 N -0.39 -0.77 3.73 2.72 0.00 -0.79 -4.73 105.19 104.95 1fnt n GLY 71 Ca 0.31 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1fnt n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fnt s THR 72 N 0.00 4.77 0.38 2.61 -4.23 -1.26 -3.39 115.64 114.53 1fnt s THR 72 Ca 0.00 1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 62.21 1fnt s THR 72 Cb 0.00 -4.22 -0.08 0.00 1.34 0.00 0.00 72.50 69.54 1fnt s THR 72 CO 0.00 0.27 0.79 -2.16 -0.54 0.00 0.00 174.62 172.98 1fnt s PRO 73 N 0.44 3.92 0.58 3.99 0.04 -1.26 -5.05 135.00 137.66 1fnt s PRO 73 Ca 0.45 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 1fnt s PRO 73 Cb -0.21 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.11 1fnt s PRO 73 CO 0.25 0.02 0.51 0.45 0.04 0.00 0.00 177.00 178.27 1fnt n SER 74 N -0.90 -1.56 -0.02 6.66 2.88 -1.26 -4.94 113.62 114.48 1fnt n SER 74 Ca 0.04 -0.80 -0.09 0.00 -1.33 0.00 0.00 58.87 56.68 1fnt n SER 74 Cb 0.54 -0.47 -0.14 0.00 -0.75 0.00 0.00 64.21 63.38 1fnt n SER 74 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1fnt n THR 75 N -3.63 1.63 0.07 2.46 -1.04 -1.26 -3.50 114.28 109.00 1fnt n THR 75 Ca 0.07 -0.79 -0.15 0.00 -2.04 0.00 0.00 64.05 61.14 1fnt n THR 75 Cb 0.28 -1.10 -0.07 0.00 -1.82 0.00 0.00 70.33 67.62 1fnt n THR 75 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1fnt h GLU 76 N 0.01 0.45 -0.01 -2.82 4.81 -1.97 -2.74 114.58 112.31 1fnt h GLU 76 Ca -0.29 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 1fnt h GLU 76 Cb 2.01 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.55 1fnt h GLU 76 CO 0.08 1.18 0.01 1.15 -0.73 0.00 0.00 179.01 180.70 1fnt h THR 77 N 0.23 0.62 0.17 0.32 2.02 -1.93 -2.63 112.91 111.71 1fnt h THR 77 Ca -0.10 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.76 1fnt h THR 77 Cb 1.68 0.99 0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1fnt h THR 77 CO 0.18 0.00 -1.54 0.00 0.37 0.00 0.00 175.52 174.53 1fnt h ALA 78 N 1.99 0.10 0.27 6.16 0.00 -1.55 -3.33 119.26 122.90 1fnt h ALA 78 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1fnt h ALA 78 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1fnt h ALA 78 CO -0.00 0.87 -0.26 0.00 0.00 0.00 0.00 179.25 179.86 1fnt h ALA 79 N 0.06 -0.54 -1.08 0.00 0.00 -1.22 -1.37 119.26 115.12 1fnt h ALA 79 Ca -0.31 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 54.81 1fnt h ALA 79 Cb 1.96 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 20.04 1fnt h ALA 79 CO 0.15 -0.83 0.73 1.03 0.00 0.00 0.00 179.25 180.32 1fnt h SER 80 N -0.56 0.26 -0.31 0.00 0.87 -1.65 0.53 113.55 112.70 1fnt h SER 80 Ca -0.01 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1fnt h SER 80 Cb 0.51 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1fnt h SER 80 CO -0.04 0.05 0.04 0.58 -0.53 0.00 0.00 176.83 176.92 1fnt h VAL 81 N 0.23 1.20 0.01 2.23 2.07 -1.36 -1.93 116.25 118.71 1fnt h VAL 81 Ca 0.57 -0.78 -0.24 0.00 0.82 0.00 0.00 66.70 67.08 1fnt h VAL 81 Cb 1.78 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1fnt h VAL 81 CO -0.18 0.27 -1.00 -0.26 0.02 0.00 0.00 177.57 176.43 1fnt h PHE 82 N 0.59 0.73 -0.42 1.57 0.05 0.12 -3.24 116.94 116.34 1fnt h PHE 82 Ca 0.13 -0.41 0.08 0.00 3.82 0.00 0.00 57.97 61.59 1fnt h PHE 82 Cb 0.31 -0.08 -0.09 0.00 2.00 0.00 0.00 35.95 38.09 1fnt h PHE 82 CO 0.01 1.24 -0.38 -0.22 -0.18 0.00 0.00 178.31 178.78 1fnt h LYS 83 N 0.26 -0.27 0.24 1.51 3.64 -0.36 0.94 116.57 122.53 1fnt h LYS 83 Ca -0.10 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1fnt h LYS 83 Cb 1.64 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 1fnt h LYS 83 CO 0.18 -0.18 -0.37 0.93 -2.27 0.00 0.00 179.45 177.74 1fnt h GLU 84 N -0.28 -0.61 -0.33 1.90 3.07 -1.50 -0.62 114.58 116.21 1fnt h GLU 84 Ca 0.16 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.14 1fnt h GLU 84 Cb 0.57 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 28.53 1fnt h GLU 84 CO -0.57 -0.41 -0.27 -0.07 -1.40 0.00 0.00 179.01 176.29 1fnt h LEU 85 N -0.64 -0.88 0.06 1.33 3.38 -1.49 -2.05 115.31 115.02 1fnt h LEU 85 Ca -0.03 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1fnt h LEU 85 Cb 0.58 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1fnt h LEU 85 CO -0.12 -0.29 -0.20 0.00 0.09 0.00 0.00 178.44 177.92 1fnt n TYR 87 N -5.33 0.00 -0.21 0.00 9.36 -0.25 -1.92 117.16 118.81 1fnt n TYR 87 Ca -0.06 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.35 1fnt n TYR 87 Cb 0.24 -0.32 0.36 0.00 -0.63 0.00 0.00 39.34 38.99 1fnt n TYR 87 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1fnt n GLU 88 N -1.53 -0.04 -0.44 2.98 4.71 -0.81 0.00 120.64 125.52 1fnt n GLU 88 Ca 0.00 0.90 0.08 0.00 -0.01 0.00 0.00 57.16 58.13 1fnt n GLU 88 Cb 0.00 -1.59 0.26 0.00 -1.01 0.00 0.00 31.44 29.10 1fnt n GLU 88 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1fnt n ASN 89 N -4.51 3.89 -0.12 1.62 3.02 -1.20 -4.78 115.26 113.19 1fnt n ASN 89 Ca 0.23 -2.78 0.21 0.00 -0.03 0.00 0.00 54.58 52.21 1fnt n ASN 89 Cb 0.79 -0.50 0.32 0.00 -0.61 0.00 0.00 39.78 39.78 1fnt n ASN 89 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1fnt n LYS 90 N -0.13 0.01 0.18 3.52 2.85 0.10 -0.45 118.16 124.24 1fnt n LYS 90 Ca 0.20 0.88 0.07 0.00 -1.05 0.00 0.00 58.31 58.41 1fnt n LYS 90 Cb 0.82 -2.22 0.15 0.00 -0.65 0.00 0.00 35.03 33.14 1fnt n LYS 90 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1fnt h ASP 91 N 0.00 0.00 0.00 -5.58 3.32 -1.86 -3.29 116.42 109.01 1fnt h ASP 91 Ca 0.36 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 1fnt h ASP 91 Cb 2.44 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.96 1fnt h ASP 91 CO -0.00 0.30 -0.31 0.59 -1.72 0.00 0.00 179.24 178.09 1fnt n ASN 92 N -3.21 1.68 -3.99 6.45 3.02 0.40 -5.04 115.26 114.58 1fnt n ASN 92 Ca 0.02 -3.05 -0.16 0.00 -0.03 0.00 0.00 54.58 51.37 1fnt n ASN 92 Cb 0.62 -0.41 -0.14 0.00 -0.61 0.00 0.00 39.78 39.24 1fnt n ASN 92 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fnt s LEU 93 N -2.27 2.07 -0.30 3.41 1.43 -1.18 -5.04 118.68 116.79 1fnt s LEU 93 Ca 0.29 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1fnt s LEU 93 Cb 0.27 -0.27 0.10 0.00 0.03 0.00 0.00 46.19 46.32 1fnt s LEU 93 CO -0.02 0.01 0.08 -0.89 0.23 0.00 0.00 176.35 175.76 1fnt s THR 94 N -0.42 1.06 -0.17 5.49 2.01 -1.26 -4.86 115.64 117.49 1fnt s THR 94 Ca -0.00 -1.45 -0.08 0.00 0.31 0.00 0.00 61.69 60.47 1fnt s THR 94 Cb -0.04 -1.76 0.07 0.00 0.01 0.00 0.00 72.50 70.78 1fnt s THR 94 CO -0.00 -0.61 0.38 0.00 -0.69 0.00 0.00 174.62 173.70 1fnt s ALA 95 N 1.54 -0.97 -0.13 7.40 0.00 -1.26 -1.98 121.76 126.35 1fnt s ALA 95 Ca 0.08 1.40 0.18 0.00 0.00 0.00 0.00 51.96 53.63 1fnt s ALA 95 Cb -0.18 -1.02 -0.19 0.00 0.00 0.00 0.00 23.12 21.73 1fnt s ALA 95 CO -0.21 -0.44 0.62 0.41 0.00 0.00 0.00 175.76 176.14 1fnt n GLY 96 N 4.71 -1.14 0.00 0.00 0.00 -1.06 -2.65 105.19 105.04 1fnt n GLY 96 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1fnt n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fnt n ILE 97 N -2.73 0.00 -4.63 -0.61 0.13 -1.26 -3.82 119.36 106.45 1fnt n ILE 97 Ca -0.13 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.19 1fnt n ILE 97 Cb 0.83 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 39.51 1fnt n ILE 97 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 1fnt s ILE 98 N 0.00 3.49 0.08 9.51 1.01 -0.83 -1.79 121.20 132.67 1fnt s ILE 98 Ca 0.00 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.20 1fnt s ILE 98 Cb 0.00 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1fnt s ILE 98 CO 0.00 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.66 1fnt s VAL 99 N -0.01 3.19 -0.13 2.92 1.01 0.93 -1.77 120.40 126.54 1fnt s VAL 99 Ca -0.01 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 1fnt s VAL 99 Cb -0.14 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1fnt s VAL 99 CO 0.03 0.19 0.41 0.00 0.00 0.00 0.00 175.10 175.73 1fnt s ALA 100 N -1.12 -1.01 0.08 5.51 0.00 -1.04 -1.37 121.76 122.81 1fnt s ALA 100 Ca 0.19 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 1fnt s ALA 100 Cb -0.11 -0.52 0.09 0.00 0.00 0.00 0.00 23.12 22.57 1fnt s ALA 100 CO 0.11 -0.21 0.75 0.20 0.00 0.00 0.00 175.76 176.60 1fnt s GLY 101 N -0.10 -0.53 0.06 0.00 0.00 -1.01 -1.73 107.32 104.02 1fnt s GLY 101 Ca -0.03 0.74 0.05 0.00 0.00 0.00 0.00 44.72 45.48 1fnt s GLY 101 CO 0.02 0.24 -0.14 -0.47 0.00 0.00 0.00 173.10 172.75 1fnt s TYR 102 N -3.43 1.22 -0.08 1.90 5.04 -0.87 0.25 117.35 121.38 1fnt s TYR 102 Ca 0.03 -0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 54.18 1fnt s TYR 102 Cb -0.01 -0.69 0.04 0.00 0.35 0.00 0.00 41.96 41.64 1fnt s TYR 102 CO -0.11 0.05 0.18 0.34 -1.34 0.00 0.00 175.55 174.68 1fnt s ASP 103 N -1.62 -0.17 0.25 4.32 2.15 -0.51 -4.84 116.67 116.25 1fnt s ASP 103 Ca -0.01 0.38 -0.07 0.00 0.43 0.00 0.00 52.55 53.27 1fnt s ASP 103 Cb -0.10 0.29 0.44 0.00 -0.30 0.00 0.00 42.92 43.25 1fnt s ASP 103 CO 0.02 -0.13 1.61 -2.24 -0.17 0.00 0.00 175.17 174.25 1fnt h ASP 104 N 6.93 -0.55 0.00 -0.34 -0.00 -1.99 0.55 116.42 121.03 1fnt h ASP 104 Ca -0.38 0.23 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 1fnt h ASP 104 Cb 1.16 0.44 0.00 0.00 -0.00 0.00 0.00 39.33 40.92 1fnt h ASP 104 CO 0.40 -0.24 0.00 1.17 -0.00 0.00 0.00 179.24 180.57 1fnt n LYS 105 N -5.45 0.00 0.00 4.15 4.81 -1.26 -3.35 118.16 117.06 1fnt n LYS 105 Ca 0.14 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1fnt n LYS 105 Cb 0.49 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1fnt n LYS 105 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1fnt n ASN 106 N -0.57 0.53 0.00 3.14 6.94 -1.18 -4.99 115.26 119.13 1fnt n ASN 106 Ca 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 1fnt n ASN 106 Cb 0.00 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1fnt n ASN 106 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1fnt n LYS 107 N -0.07 0.00 -3.87 -3.83 0.00 0.18 -4.64 118.16 105.92 1fnt n LYS 107 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 1fnt n LYS 107 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.09 1fnt n LYS 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1fnt s GLY 108 N -2.24 2.10 0.08 3.14 0.00 -1.26 -1.43 107.32 107.71 1fnt s GLY 108 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 44.72 44.11 1fnt s GLY 108 CO 0.00 -0.23 -0.06 -0.54 0.00 0.00 0.00 173.10 172.27 1fnt s GLU 109 N -0.57 2.36 -0.14 2.90 2.02 0.14 -4.85 118.70 120.55 1fnt s GLU 109 Ca 0.12 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1fnt s GLU 109 Cb -0.12 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.71 1fnt s GLU 109 CO 0.02 0.54 -0.18 0.54 0.02 0.00 0.00 175.26 176.20 1fnt s VAL 110 N -1.19 1.78 -0.03 2.63 0.11 -1.26 -2.40 120.40 120.04 1fnt s VAL 110 Ca 0.22 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.51 1fnt s VAL 110 Cb -0.11 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 1fnt s VAL 110 CO 0.14 0.50 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.97 1fnt s TYR 111 N 1.14 1.22 -0.15 1.54 1.51 -0.47 -1.11 117.35 121.03 1fnt s TYR 111 Ca -0.01 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1fnt s TYR 111 Cb -0.14 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.86 1fnt s TYR 111 CO -0.06 -0.12 -0.18 -0.08 -1.11 0.00 0.00 175.55 173.99 1fnt s THR 112 N 0.15 2.43 -0.88 -0.71 -1.32 0.23 -0.05 115.64 115.48 1fnt s THR 112 Ca -0.03 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1fnt s THR 112 Cb -0.10 -2.01 0.28 0.00 -1.51 0.00 0.00 72.50 69.17 1fnt s THR 112 CO 0.01 0.53 1.14 -0.38 -2.21 0.00 0.00 174.62 173.71 1fnt n ILE 113 N 4.07 3.98 -0.27 5.08 5.41 -0.74 -1.55 119.36 135.35 1fnt n ILE 113 Ca -0.19 -5.61 -0.30 0.00 1.00 0.00 0.00 62.75 57.65 1fnt n ILE 113 Cb 0.52 -2.09 0.29 0.00 -0.71 0.00 0.00 39.64 37.64 1fnt n ILE 113 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1fnt n PRO 114 N 1.13 -4.50 -1.70 0.38 -0.04 -1.18 -4.29 135.00 124.80 1fnt n PRO 114 Ca 0.28 -1.33 -0.42 0.00 -0.04 0.00 0.00 63.50 61.98 1fnt n PRO 114 Cb 0.37 -1.96 -0.01 0.00 -0.04 0.00 0.00 33.50 31.86 1fnt n PRO 114 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1fnt n LEU 115 N -5.64 3.65 0.00 1.53 7.94 -1.09 -2.08 117.00 121.32 1fnt n LEU 115 Ca 0.12 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 1fnt n LEU 115 Cb 0.59 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1fnt n LEU 115 CO 0.43 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 1fnt n GLY 116 N 0.87 3.10 0.00 -3.96 0.00 -1.26 -4.47 105.19 99.46 1fnt n GLY 116 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1fnt n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fnt n GLY 117 N 0.00 1.46 3.70 -0.02 0.00 -0.89 -4.38 105.19 105.07 1fnt n GLY 117 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1fnt n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fnt s SER 118 N -1.91 6.45 0.05 1.61 1.04 -1.26 -4.83 113.70 114.86 1fnt s SER 118 Ca 0.00 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.18 1fnt s SER 118 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1fnt s SER 118 CO 0.00 -0.95 0.17 -0.69 0.98 0.00 0.00 173.24 172.75 1fnt s VAL 119 N 1.97 5.19 -0.18 5.02 1.01 -1.26 -3.11 120.40 129.04 1fnt s VAL 119 Ca 0.76 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1fnt s VAL 119 Cb -0.46 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.48 1fnt s VAL 119 CO 0.34 0.18 0.45 -1.00 0.00 0.00 0.00 175.10 175.07 1fnt s HIS 120 N -1.44 -0.65 -0.39 5.22 3.76 -0.59 -4.91 115.29 116.29 1fnt s HIS 120 Ca 0.32 1.39 -0.14 0.00 -0.15 0.00 0.00 55.06 56.48 1fnt s HIS 120 Cb -0.13 0.30 0.01 0.00 1.11 0.00 0.00 32.58 33.87 1fnt s HIS 120 CO 0.25 -0.35 0.27 0.21 -0.85 0.00 0.00 174.74 174.26 1fnt s LYS 121 N 1.28 3.11 0.49 1.40 2.20 -1.25 0.75 119.74 127.70 1fnt s LYS 121 Ca -0.08 -0.92 0.02 0.00 -0.36 0.00 0.00 55.97 54.63 1fnt s LYS 121 Cb -0.07 -3.90 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 1fnt s LYS 121 CO -0.12 -0.66 0.03 -0.51 -0.36 0.00 0.00 175.35 173.73 1fnt s LEU 122 N 1.68 2.26 0.12 5.43 1.02 -0.26 -4.99 118.68 123.94 1fnt s LEU 122 Ca 0.05 -1.65 -0.15 0.00 0.02 0.00 0.00 54.13 52.41 1fnt s LEU 122 Cb -0.19 -0.62 -0.03 0.00 0.02 0.00 0.00 46.19 45.37 1fnt s LEU 122 CO 0.10 -0.85 1.55 -0.65 0.02 0.00 0.00 176.35 176.52 1fnt h PRO 123 N 1.45 0.69 -2.07 1.29 0.11 -1.97 -3.38 132.00 128.12 1fnt h PRO 123 Ca -0.42 -0.23 -0.06 0.00 0.11 0.00 0.00 66.00 65.39 1fnt h PRO 123 Cb 1.30 -0.05 -0.19 0.00 0.11 0.00 0.00 31.00 32.17 1fnt h PRO 123 CO 0.71 0.80 0.15 1.52 -0.21 0.00 0.00 178.00 180.98 1fnt s TYR 124 N -4.93 -0.63 0.19 0.65 1.13 -1.26 -3.50 117.35 109.00 1fnt s TYR 124 Ca -0.13 1.12 0.06 0.00 -1.41 0.00 0.00 57.07 56.72 1fnt s TYR 124 Cb 0.10 0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 1fnt s TYR 124 CO 0.79 -0.58 -0.12 0.00 -2.51 0.00 0.00 175.55 173.14 1fnt s ALA 125 N -1.10 1.85 -0.12 9.51 0.00 -0.88 -5.01 121.76 126.01 1fnt s ALA 125 Ca -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 1fnt s ALA 125 Cb -0.01 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.18 1fnt s ALA 125 CO 0.09 -0.01 0.24 0.96 0.00 0.00 0.00 175.76 177.04 1fnt s ILE 126 N -3.11 -0.38 0.27 0.00 -4.36 -1.26 -2.04 121.20 110.32 1fnt s ILE 126 Ca 0.21 0.27 0.02 0.00 -0.26 0.00 0.00 60.65 60.89 1fnt s ILE 126 Cb 0.01 -0.43 -0.05 0.00 1.25 0.00 0.00 42.46 43.24 1fnt s ILE 126 CO 0.05 0.10 0.11 0.00 0.24 0.00 0.00 174.94 175.44 1fnt s ALA 127 N 2.39 1.80 0.00 2.27 0.00 -0.94 -4.93 121.76 122.35 1fnt s ALA 127 Ca 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1fnt s ALA 127 Cb -0.12 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1fnt s ALA 127 CO -0.08 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1fnt n GLY 128 N -0.50 3.10 0.05 0.00 0.00 -1.26 -0.29 105.19 106.29 1fnt n GLY 128 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.37 1fnt n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fnt n SER 129 N 0.00 -0.05 -1.99 1.61 2.88 -0.75 -0.10 113.62 115.22 1fnt n SER 129 Ca 0.00 0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1fnt n SER 129 Cb 0.00 -0.08 0.24 0.00 -0.75 0.00 0.00 64.21 63.62 1fnt n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fnt n GLY 130 N -1.09 4.18 0.19 0.46 0.00 -0.58 -4.48 105.19 103.86 1fnt n GLY 130 Ca 0.02 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.03 1fnt n GLY 130 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fnt h SER 131 N 1.74 0.00 0.00 1.61 0.02 -0.78 -3.35 113.55 112.79 1fnt h SER 131 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1fnt h SER 131 Cb 2.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.03 1fnt h SER 131 CO 0.86 0.37 0.58 0.74 -1.14 0.00 0.00 176.83 178.24 1fnt h THR 132 N 0.00 0.00 -0.00 -2.27 2.02 -1.80 -2.14 112.91 108.72 1fnt h THR 132 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1fnt h THR 132 Cb 0.85 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1fnt h THR 132 CO 0.05 0.00 -0.36 0.49 0.37 0.00 0.00 175.52 176.07 1fnt n PHE 133 N -2.29 0.00 -1.04 3.16 3.72 -1.26 -4.47 117.46 115.29 1fnt n PHE 133 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1fnt n PHE 133 Cb 0.60 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.46 1fnt n PHE 133 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1fnt n ILE 134 N -0.96 2.95 0.11 4.37 -5.35 -0.80 -3.73 119.36 115.95 1fnt n ILE 134 Ca 0.02 -1.63 0.08 0.00 -0.27 0.00 0.00 62.75 60.96 1fnt n ILE 134 Cb 0.16 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 37.72 1fnt n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1fnt h TYR 135 N 2.79 0.00 0.15 4.28 -1.99 -1.78 -3.15 116.97 117.27 1fnt h TYR 135 Ca 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 1fnt h TYR 135 Cb 2.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.07 1fnt h TYR 135 CO 1.30 0.18 -0.07 0.78 -0.00 0.00 0.00 178.16 180.34 1fnt h GLY 136 N 3.89 -0.22 0.00 3.88 0.00 -1.90 -3.33 103.07 105.39 1fnt h GLY 136 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1fnt h GLY 136 CO 0.02 -0.08 0.00 2.98 0.00 0.00 0.00 176.54 179.46 1fnt n TYR 137 N -4.91 0.00 0.00 5.60 9.36 -1.26 -3.06 117.16 122.89 1fnt n TYR 137 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1fnt n TYR 137 Cb 0.11 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 1fnt n TYR 137 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1fnt h ASP 139 N 0.00 -0.32 -0.07 0.00 3.58 -1.72 -2.98 116.42 114.91 1fnt h ASP 139 Ca 0.00 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1fnt h ASP 139 Cb 0.00 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 1fnt h ASP 139 CO 0.00 -0.12 0.02 0.50 -2.88 0.00 0.00 179.24 176.76 1fnt h LYS 140 N -0.04 0.11 -1.76 0.28 1.63 0.01 -3.18 116.57 113.62 1fnt h LYS 140 Ca 0.13 -0.02 -0.44 0.00 -0.85 0.00 0.00 60.65 59.46 1fnt h LYS 140 Cb 0.24 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 31.69 1fnt h LYS 140 CO -0.29 0.27 0.43 0.09 -3.45 0.00 0.00 179.45 176.51 1fnt n ASN 141 N -4.93 6.55 -4.00 4.20 4.13 -0.22 -4.87 115.26 116.12 1fnt n ASN 141 Ca -0.06 -3.19 -0.31 0.00 1.68 0.00 0.00 54.58 52.70 1fnt n ASN 141 Cb 0.13 -1.15 -0.15 0.00 -1.54 0.00 0.00 39.78 37.07 1fnt n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1fnt s PHE 142 N -1.88 2.94 0.05 3.10 5.36 -1.14 -4.86 117.98 121.55 1fnt s PHE 142 Ca 0.48 -2.18 -0.13 0.00 -0.96 0.00 0.00 56.93 54.15 1fnt s PHE 142 Cb 0.34 -1.92 -0.06 0.00 -0.34 0.00 0.00 43.02 41.04 1fnt s PHE 142 CO -0.13 -0.85 0.43 0.50 -1.46 0.00 0.00 175.22 173.71 1fnt s ARG 143 N 1.21 3.86 -0.47 10.12 3.52 -1.26 -4.99 118.95 130.94 1fnt s ARG 143 Ca -0.04 0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.62 1fnt s ARG 143 Cb -0.19 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1fnt s ARG 143 CO -0.07 0.61 2.22 -2.00 -0.81 0.00 0.00 175.30 175.25 1fnt s GLU 144 N -1.55 2.45 0.57 5.12 2.56 -1.26 -4.58 118.70 122.02 1fnt s GLU 144 Ca 0.30 1.33 0.00 0.00 0.00 0.00 0.00 54.97 56.59 1fnt s GLU 144 Cb -0.15 -4.48 0.00 0.00 2.00 0.00 0.00 34.13 31.49 1fnt s GLU 144 CO 0.16 -2.89 0.00 0.27 -0.56 0.00 0.00 175.26 172.25 1fnt n ASN 145 N 14.20 -8.78 0.00 -1.70 0.23 -1.26 -5.02 115.26 112.93 1fnt n ASN 145 Ca 0.31 1.52 0.00 0.00 -0.53 0.00 0.00 54.58 55.88 1fnt n ASN 145 Cb 0.52 -5.19 0.00 0.00 -2.08 0.00 0.00 39.78 33.03 1fnt n ASN 145 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1fnt n MET 146 N -1.53 0.50 -4.02 -3.83 0.00 -1.26 -4.87 117.12 102.11 1fnt n MET 146 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1fnt n MET 146 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.34 1fnt n MET 146 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1fnt s SER 147 N 1.00 4.64 0.06 7.83 1.04 -1.26 -3.33 113.70 123.68 1fnt s SER 147 Ca 0.00 -0.89 -0.15 0.00 0.48 0.00 0.00 55.95 55.39 1fnt s SER 147 Cb 0.00 -0.60 -0.06 0.00 0.10 0.00 0.00 66.02 65.46 1fnt s SER 147 CO 0.00 -0.45 1.25 0.50 0.98 0.00 0.00 173.24 175.52 1fnt h LYS 148 N 1.41 -0.23 -0.21 4.02 3.64 -2.01 0.47 116.57 123.68 1fnt h LYS 148 Ca -0.43 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 1fnt h LYS 148 Cb 1.25 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1fnt h LYS 148 CO 0.65 -0.15 -0.36 1.05 -2.27 0.00 0.00 179.45 178.36 1fnt h GLU 149 N -0.24 0.45 -0.54 1.90 -0.00 -2.00 -2.74 114.58 111.41 1fnt h GLU 149 Ca 0.02 -0.21 0.02 0.00 -0.00 0.00 0.00 59.36 59.20 1fnt h GLU 149 Cb 0.30 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.01 1fnt h GLU 149 CO -0.23 0.75 0.34 1.49 -0.00 0.00 0.00 179.01 181.36 1fnt h GLU 150 N 0.38 0.65 -0.22 1.06 4.81 -1.71 -2.93 114.58 116.62 1fnt h GLU 150 Ca 0.04 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1fnt h GLU 150 Cb 0.81 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1fnt h GLU 150 CO 0.07 0.43 -0.21 1.15 -0.73 0.00 0.00 179.01 179.72 1fnt h THR 151 N 0.67 1.32 -0.32 0.32 2.02 -0.02 -3.21 112.91 113.69 1fnt h THR 151 Ca 0.22 -1.37 0.09 0.00 0.77 0.00 0.00 66.41 66.12 1fnt h THR 151 Cb -0.00 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1fnt h THR 151 CO -0.08 0.42 1.04 0.58 0.37 0.00 0.00 175.52 177.85 1fnt h VAL 152 N 0.22 0.00 0.22 3.16 2.07 -1.29 0.47 116.25 121.11 1fnt h VAL 152 Ca 0.04 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.23 1fnt h VAL 152 Cb 0.76 0.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1fnt h VAL 152 CO 0.05 0.00 -1.45 0.44 0.02 0.00 0.00 177.57 176.63 1fnt h ASP 153 N 0.00 0.72 -0.02 0.57 5.19 -1.65 -1.13 116.42 120.09 1fnt h ASP 153 Ca 0.15 -0.79 0.03 0.00 -0.62 0.00 0.00 57.03 55.81 1fnt h ASP 153 Cb 2.24 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 41.47 1fnt h ASP 153 CO -0.00 1.62 -0.30 0.15 -3.12 0.00 0.00 179.24 177.60 1fnt h PHE 154 N 0.12 -0.81 0.16 4.55 3.57 -0.24 0.53 116.94 124.83 1fnt h PHE 154 Ca -0.23 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1fnt h PHE 154 Cb 2.12 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 41.18 1fnt h PHE 154 CO 0.11 -0.39 -0.48 0.82 -2.23 0.00 0.00 178.31 176.14 1fnt h ILE 155 N -0.43 0.00 -0.55 1.41 2.04 -1.63 0.27 117.51 118.61 1fnt h ILE 155 Ca 0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.04 1fnt h ILE 155 Cb 0.53 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 1fnt h ILE 155 CO -0.27 0.00 -0.23 0.11 0.00 0.00 0.00 178.15 177.76 1fnt h LYS 156 N -0.72 -0.09 0.08 2.37 1.57 0.05 -0.38 116.57 119.44 1fnt h LYS 156 Ca -0.01 0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1fnt h LYS 156 Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1fnt h LYS 156 CO -0.24 -0.06 -1.15 0.45 -0.57 0.00 0.00 179.45 177.89 1fnt h HIS 157 N -0.09 0.31 0.53 -1.35 3.86 0.35 -1.54 115.15 117.21 1fnt h HIS 157 Ca 0.25 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1fnt h HIS 157 Cb 0.49 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1fnt h HIS 157 CO -0.53 1.17 -0.26 0.77 0.86 0.00 0.00 177.93 179.94 1fnt h SER 158 N 0.05 -0.61 -0.89 2.45 0.02 -0.23 -2.70 113.55 111.64 1fnt h SER 158 Ca -0.09 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1fnt h SER 158 Cb 1.89 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 64.53 1fnt h SER 158 CO 0.18 -0.43 0.58 -0.07 -1.14 0.00 0.00 176.83 175.94 1fnt h LEU 159 N -0.71 0.89 0.55 5.07 4.07 -1.13 -3.07 115.31 120.99 1fnt h LEU 159 Ca -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1fnt h LEU 159 Cb 0.55 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1fnt h LEU 159 CO 0.11 0.58 -0.29 0.77 -1.08 0.00 0.00 178.44 178.53 1fnt h SER 160 N 1.02 -0.71 -0.18 -0.43 4.64 -1.01 -3.00 113.55 113.87 1fnt h SER 160 Ca 0.38 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1fnt h SER 160 Cb 0.18 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1fnt h SER 160 CO -0.14 -0.48 0.12 1.56 -0.87 0.00 0.00 176.83 177.02 1fnt h GLN 161 N -0.78 0.25 0.00 4.77 1.08 -1.45 -2.19 115.11 116.78 1fnt h GLN 161 Ca -0.07 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1fnt h GLN 161 Cb 0.62 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1fnt h GLN 161 CO 0.10 0.17 -0.17 0.00 -0.95 0.00 0.00 178.83 177.98 1fnt h ALA 162 N 1.88 1.54 0.04 3.87 0.00 -1.43 -1.34 119.26 123.81 1fnt h ALA 162 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1fnt h ALA 162 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fnt h ALA 162 CO -0.01 0.22 -0.46 0.82 0.00 0.00 0.00 179.25 179.81 1fnt h ILE 163 N 0.00 1.54 0.00 0.00 1.08 -1.31 -2.78 117.51 116.03 1fnt h ILE 163 Ca -0.00 -2.18 0.00 0.00 -0.39 0.00 0.00 64.86 62.28 1fnt h ILE 163 Cb 0.34 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 1fnt h ILE 163 CO 0.02 0.61 0.39 0.50 -0.69 0.00 0.00 178.15 178.98 1fnt h LYS 164 N -0.42 0.00 0.00 2.37 3.64 -0.94 -2.40 116.57 118.82 1fnt h LYS 164 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1fnt h LYS 164 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1fnt h LYS 164 CO 0.09 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 178.18 1fnt n TRP 165 N -2.74 0.00 -3.61 1.91 7.02 -1.03 -4.99 117.44 114.00 1fnt n TRP 165 Ca -0.02 -0.01 -0.29 0.00 -1.02 0.00 0.00 57.50 56.16 1fnt n TRP 165 Cb 0.43 -0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.17 1fnt n TRP 165 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1fnt s ASP 166 N -0.03 3.62 0.27 -0.99 2.15 -0.90 -5.01 116.67 115.78 1fnt s ASP 166 Ca 0.00 -1.68 -0.01 0.00 0.43 0.00 0.00 52.55 51.29 1fnt s ASP 166 Cb 0.00 -0.59 0.45 0.00 -0.30 0.00 0.00 42.92 42.48 1fnt s ASP 166 CO 0.00 -0.39 1.86 1.23 -0.17 0.00 0.00 175.17 177.70 1fnt h GLY 167 N 7.92 1.56 1.60 2.66 0.00 -1.85 -1.63 103.07 113.33 1fnt h GLY 167 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1fnt h GLY 167 CO 0.42 0.27 0.02 -1.14 0.00 0.00 0.00 176.54 176.11 1fnt n SER 168 N -4.55 0.00 -3.80 0.19 3.41 -1.26 -4.34 113.62 103.27 1fnt n SER 168 Ca 0.17 0.33 -0.20 0.00 -0.26 0.00 0.00 58.87 58.90 1fnt n SER 168 Cb 0.24 -0.33 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 1fnt n SER 168 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fnt s SER 169 N -2.64 1.05 0.00 4.04 1.04 -0.61 -1.39 113.70 115.19 1fnt s SER 169 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1fnt s SER 169 Cb 0.00 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1fnt s SER 169 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1fnt n GLY 170 N 4.63 2.06 6.20 7.32 0.00 -1.26 -4.45 105.19 119.70 1fnt n GLY 170 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1fnt n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fnt n GLY 171 N 0.00 0.29 3.97 -0.02 0.00 -1.26 -2.06 105.19 106.11 1fnt n GLY 171 Ca 0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 1fnt n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fnt s VAL 172 N 0.00 2.73 0.15 1.61 -7.23 -1.26 -4.80 120.40 111.61 1fnt s VAL 172 Ca 0.00 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1fnt s VAL 172 Cb 0.00 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1fnt s VAL 172 CO 0.00 0.00 0.15 -0.63 -0.31 0.00 0.00 175.10 174.31 1fnt s ILE 173 N -2.44 4.60 -0.10 -0.62 1.01 -1.25 -2.96 121.20 119.43 1fnt s ILE 173 Ca 0.53 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1fnt s ILE 173 Cb -0.07 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.12 1fnt s ILE 173 CO 0.32 -0.07 0.23 -0.13 0.00 0.00 0.00 174.94 175.29 1fnt s ARG 174 N -3.02 0.18 0.24 2.79 0.52 -0.92 -2.55 118.95 116.18 1fnt s ARG 174 Ca 0.31 0.54 0.11 0.00 -0.52 0.00 0.00 55.73 56.17 1fnt s ARG 174 Cb -0.10 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 1fnt s ARG 174 CO 0.24 -0.18 -0.20 -1.64 0.02 0.00 0.00 175.30 173.54 1fnt s MET 175 N 1.42 1.54 -0.19 3.54 -1.94 -1.18 -2.43 119.30 120.07 1fnt s MET 175 Ca -0.08 -1.65 -0.02 0.00 -1.71 0.00 0.00 55.69 52.24 1fnt s MET 175 Cb -0.11 -1.64 0.06 0.00 2.01 0.00 0.00 34.83 35.15 1fnt s MET 175 CO -0.08 0.32 0.00 0.08 -0.01 0.00 0.00 175.02 175.33 1fnt s VAL 176 N -2.35 0.81 -0.39 -6.03 1.01 -0.51 -1.53 120.40 111.42 1fnt s VAL 176 Ca 0.25 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 1fnt s VAL 176 Cb -0.05 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1fnt s VAL 176 CO 0.12 -0.11 0.77 -0.69 0.00 0.00 0.00 175.10 175.19 1fnt s VAL 177 N 1.73 4.73 -0.35 2.92 1.01 -0.38 -2.84 120.40 127.22 1fnt s VAL 177 Ca -0.01 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 1fnt s VAL 177 Cb -0.17 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.02 1fnt s VAL 177 CO -0.07 -0.50 0.12 -0.76 0.00 0.00 0.00 175.10 173.89 1fnt s LEU 178 N 3.11 4.40 0.00 3.92 2.01 -1.12 -1.40 118.68 129.61 1fnt s LEU 178 Ca 0.30 -1.13 0.02 0.00 0.01 0.00 0.00 54.13 53.33 1fnt s LEU 178 Cb -0.13 -1.89 -0.01 0.00 0.01 0.00 0.00 46.19 44.17 1fnt s LEU 178 CO 0.18 -0.34 0.11 0.35 1.01 0.00 0.00 176.35 177.66 1fnt n THR 179 N 4.84 0.00 -0.10 5.49 -2.24 -0.50 -3.38 114.28 118.38 1fnt n THR 179 Ca -0.12 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.77 1fnt n THR 179 Cb 0.45 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1fnt n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fnt h ALA 180 N 1.41 0.43 -0.02 6.98 0.00 -1.98 -2.92 119.26 123.15 1fnt h ALA 180 Ca -0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1fnt h ALA 180 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1fnt h ALA 180 CO 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 179.25 179.21 1fnt h ALA 181 N 1.05 -0.54 0.00 0.00 0.00 -1.95 -3.49 119.26 114.34 1fnt h ALA 181 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fnt h ALA 181 Cb 0.06 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1fnt h ALA 181 CO -0.02 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.07 1fnt n GLY 182 N -1.09 -0.54 3.80 0.00 0.00 -1.10 -5.13 105.19 101.13 1fnt n GLY 182 Ca -0.01 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1fnt n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fnt s VAL 183 N -4.00 5.44 -0.10 1.61 -7.23 -1.24 -1.42 120.40 113.47 1fnt s VAL 183 Ca 0.00 0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1fnt s VAL 183 Cb 0.00 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.53 1fnt s VAL 183 CO 0.00 0.53 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.48 1fnt s GLU 184 N -0.30 1.97 -0.73 4.82 -6.30 -0.49 -4.94 118.70 112.72 1fnt s GLU 184 Ca 0.11 -0.47 -0.19 0.00 -2.50 0.00 0.00 54.97 51.93 1fnt s GLU 184 Cb -0.11 -1.71 0.12 0.00 0.00 0.00 0.00 34.13 32.43 1fnt s GLU 184 CO 0.01 -0.07 0.87 1.03 0.02 0.00 0.00 175.26 177.12 1fnt s ARG 185 N 1.02 3.30 0.76 4.30 1.81 -1.26 -1.25 118.95 127.63 1fnt s ARG 185 Ca -0.07 -1.55 -0.10 0.00 -1.72 0.00 0.00 55.73 52.30 1fnt s ARG 185 Cb -0.15 -4.47 0.07 0.00 -0.45 0.00 0.00 34.95 29.95 1fnt s ARG 185 CO -0.01 -1.61 1.11 -0.51 -0.68 0.00 0.00 175.30 173.59 1fnt s LEU 186 N 2.52 2.65 -0.30 2.53 1.43 -0.58 -4.95 118.68 121.97 1fnt s LEU 186 Ca 0.20 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.84 1fnt s LEU 186 Cb -0.15 -3.24 0.18 0.00 0.03 0.00 0.00 46.19 43.00 1fnt s LEU 186 CO -0.00 -1.75 1.06 -0.51 0.23 0.00 0.00 176.35 175.37 1fnt s ILE 187 N -3.43 -0.34 -0.54 -0.59 1.10 -1.26 -3.07 121.20 113.06 1fnt s ILE 187 Ca 0.61 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.71 1fnt s ILE 187 Cb -0.11 -1.00 0.14 0.00 0.15 0.00 0.00 42.46 41.64 1fnt s ILE 187 CO 0.47 0.00 0.36 -0.36 -2.11 0.00 0.00 174.94 173.30 1fnt s PHE 188 N 2.82 3.48 0.29 3.50 2.99 -1.06 -4.99 117.98 125.01 1fnt s PHE 188 Ca -0.01 -2.53 -0.28 0.00 0.00 0.00 0.00 56.93 54.10 1fnt s PHE 188 Cb -0.09 -3.25 -0.14 0.00 0.00 0.00 0.00 43.02 39.54 1fnt s PHE 188 CO -0.12 -0.90 1.02 0.66 -0.00 0.00 0.00 175.22 175.88 1fnt n TYR 189 N 3.98 1.30 0.00 0.36 4.01 -1.26 -3.92 117.16 121.63 1fnt n TYR 189 Ca 0.03 0.70 0.00 0.00 -0.16 0.00 0.00 57.90 58.47 1fnt n TYR 189 Cb 0.39 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 37.17 1fnt n TYR 189 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1fnt n PRO 190 N 0.77 0.00 0.12 -0.72 -0.02 -1.26 -2.29 135.00 131.60 1fnt n PRO 190 Ca 0.10 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1fnt n PRO 190 Cb 0.32 -0.48 0.05 0.00 -0.02 0.00 0.00 33.50 33.36 1fnt n PRO 190 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fnt n ASP 191 N -1.78 0.04 0.00 2.55 8.00 -1.26 -1.99 116.55 122.11 1fnt n ASP 191 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1fnt n ASP 191 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1fnt n ASP 191 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fnt n GLU 192 N -1.61 0.00 -0.26 -1.24 1.02 -0.97 -3.84 120.64 113.73 1fnt n GLU 192 Ca -0.00 0.09 0.32 0.00 -0.02 0.00 0.00 57.16 57.55 1fnt n GLU 192 Cb 0.62 -0.60 0.73 0.00 -0.02 0.00 0.00 31.44 32.17 1fnt n GLU 192 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1fnt h TYR 193 N 0.00 0.03 -0.50 -0.32 -0.00 -1.58 0.67 116.97 115.28 1fnt h TYR 193 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 1fnt h TYR 193 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 36.73 36.70 1fnt h TYR 193 CO 0.00 0.00 -0.11 0.93 -0.00 0.00 0.00 178.16 178.98 1fnt h GLU 194 N 0.02 0.97 -0.75 0.10 5.08 -1.74 -2.49 114.58 115.77 1fnt h GLU 194 Ca 0.51 -0.37 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 1fnt h GLU 194 Cb 1.99 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 31.13 1fnt h GLU 194 CO -0.02 1.04 0.49 0.37 -1.00 0.00 0.00 179.01 179.89 1fnt h GLN 195 N 0.83 0.50 -0.00 2.33 5.75 -0.96 -3.52 115.11 120.03 1fnt h GLN 195 Ca 0.13 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1fnt h GLN 195 Cb 0.67 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1fnt h GLN 195 CO 0.05 0.33 0.00 1.28 -2.65 0.00 0.00 178.83 177.84