#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfd h LEU 2 N 0.00 0.00 -1.14 1.04 5.85 -1.92 -2.62 115.31 116.52 1jfd h LEU 2 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1jfd h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jfd h LEU 2 CO 0.00 0.02 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.96 1jfd h LEU 3 N 0.00 0.00 -1.88 2.25 3.38 -1.92 -3.02 115.31 114.12 1jfd h LEU 3 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jfd h LEU 3 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jfd h LEU 3 CO 0.00 0.09 0.00 0.59 0.09 0.00 0.00 178.44 179.21 1jfd n ASN 4 N -3.20 2.76 -4.74 -0.43 4.13 -0.99 -4.93 115.26 107.86 1jfd n ASN 4 Ca 0.01 -1.94 -0.41 0.00 1.68 0.00 0.00 54.58 53.91 1jfd n ASN 4 Cb 0.39 -0.29 -0.03 0.00 -1.54 0.00 0.00 39.78 38.30 1jfd n ASN 4 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1jfd s VAL 5 N -1.42 3.49 0.86 2.41 1.01 -1.15 -4.99 120.40 120.61 1jfd s VAL 5 Ca 0.36 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1jfd s VAL 5 Cb 0.19 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.90 1jfd s VAL 5 CO 0.26 0.19 1.09 -2.84 0.00 0.00 0.00 175.10 173.80 1jfd s PRO 6 N -0.11 1.52 0.42 2.72 0.02 -1.26 -4.72 135.00 133.58 1jfd s PRO 6 Ca 0.54 0.84 0.23 0.00 0.02 0.00 0.00 61.00 62.63 1jfd s PRO 6 Cb -0.34 -1.84 0.58 0.00 0.02 0.00 0.00 34.50 32.92 1jfd s PRO 6 CO 0.37 -2.07 1.68 0.00 -0.33 0.00 0.00 177.00 176.65 1jfd h ALA 7 N -1.42 0.92 0.00 -1.55 0.00 -1.89 -3.42 119.26 111.90 1jfd h ALA 7 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1jfd h ALA 7 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jfd h ALA 7 CO 0.55 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1jfd n GLY 8 N 0.72 1.92 0.20 0.00 0.00 -1.26 -1.45 105.19 105.32 1jfd n GLY 8 Ca 0.02 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1jfd n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfd h LYS 9 N 0.00 0.65 -1.54 1.61 1.79 -1.83 -3.41 116.57 113.84 1jfd h LYS 9 Ca 0.00 -0.58 -0.35 0.00 -2.18 0.00 0.00 60.65 57.53 1jfd h LYS 9 Cb 0.00 0.14 -0.26 0.00 -1.58 0.00 0.00 32.23 30.53 1jfd h LYS 9 CO 0.00 1.19 -0.72 -3.47 -1.08 0.00 0.00 179.45 175.37 1jfd n ASP 10 N -3.88 -2.04 -4.76 0.86 2.03 -0.83 -5.03 116.55 102.91 1jfd n ASP 10 Ca -0.07 -2.71 -0.40 0.00 0.52 0.00 0.00 54.79 52.12 1jfd n ASP 10 Cb 0.77 0.70 0.01 0.00 -0.72 0.00 0.00 41.12 41.89 1jfd n ASP 10 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1jfd n LEU 11 N 2.73 4.91 -1.01 -2.67 4.77 -1.21 -1.12 117.00 123.41 1jfd n LEU 11 Ca 0.22 1.14 0.12 0.00 -0.03 0.00 0.00 56.01 57.46 1jfd n LEU 11 Cb 0.53 -1.59 0.19 0.00 -2.33 0.00 0.00 43.42 40.22 1jfd n LEU 11 CO 0.04 -0.18 0.69 -0.81 -1.33 0.00 0.00 177.39 175.79 1jfd n PRO 12 N -0.06 2.35 0.10 3.23 -0.04 -1.26 -4.85 135.00 134.47 1jfd n PRO 12 Ca 0.05 -2.01 -0.05 0.00 -0.04 0.00 0.00 63.50 61.45 1jfd n PRO 12 Cb 0.41 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1jfd n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jfd h GLU 13 N 4.34 0.07 -3.87 0.54 4.39 -1.83 -3.41 114.58 114.81 1jfd h GLU 13 Ca 0.00 -0.07 -0.56 0.00 0.34 0.00 0.00 59.36 59.07 1jfd h GLU 13 Cb 0.94 0.02 -0.39 0.00 -0.10 0.00 0.00 28.75 29.22 1jfd h GLU 13 CO 0.00 0.82 -0.77 0.34 -1.16 0.00 0.00 179.01 178.24 1jfd s ASP 14 N -6.84 3.46 0.26 1.42 -1.08 -0.27 -4.46 116.67 109.16 1jfd s ASP 14 Ca -0.01 -1.10 0.05 0.00 -0.52 0.00 0.00 52.55 50.98 1jfd s ASP 14 Cb 0.11 -0.87 -0.06 0.00 -1.46 0.00 0.00 42.92 40.65 1jfd s ASP 14 CO 0.80 -0.30 -0.04 0.27 0.52 0.00 0.00 175.17 176.42 1jfd s ILE 15 N 1.63 1.42 -0.11 4.11 -4.36 -0.56 -1.96 121.20 121.38 1jfd s ILE 15 Ca -0.01 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1jfd s ILE 15 Cb -0.18 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 1jfd s ILE 15 CO -0.10 -0.31 -0.09 -0.31 0.24 0.00 0.00 174.94 174.38 1jfd s TYR 16 N -3.16 2.90 -0.15 1.37 2.02 -0.53 -0.22 117.35 119.59 1jfd s TYR 16 Ca 0.29 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1jfd s TYR 16 Cb 0.05 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1jfd s TYR 16 CO 0.11 0.07 -0.20 0.08 -1.57 0.00 0.00 175.55 174.04 1jfd s VAL 17 N -0.17 2.26 -0.22 0.71 1.01 -0.42 -4.38 120.40 119.19 1jfd s VAL 17 Ca 0.01 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1jfd s VAL 17 Cb -0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1jfd s VAL 17 CO 0.03 0.54 0.75 -0.69 0.00 0.00 0.00 175.10 175.73 1jfd s VAL 18 N 0.86 4.91 -0.09 2.92 1.01 0.41 -1.37 120.40 129.05 1jfd s VAL 18 Ca -0.05 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.09 1jfd s VAL 18 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1jfd s VAL 18 CO -0.02 0.00 0.78 -0.63 0.00 0.00 0.00 175.10 175.22 1jfd s ILE 19 N 2.47 4.97 -0.13 2.22 -1.09 0.20 -1.17 121.20 128.67 1jfd s ILE 19 Ca 0.32 1.58 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 1jfd s ILE 19 Cb -0.16 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.51 1jfd s ILE 19 CO 0.09 0.17 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.28 1jfd n GLU 20 N 4.27 1.00 -3.95 2.79 1.02 -0.12 0.70 120.64 126.35 1jfd n GLU 20 Ca 0.01 0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 1jfd n GLU 20 Cb 0.50 -1.28 -0.17 0.00 -0.02 0.00 0.00 31.44 30.47 1jfd n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jfd s ILE 21 N -2.27 0.66 0.69 -3.67 1.01 -0.43 -4.51 121.20 112.68 1jfd s ILE 21 Ca -0.14 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1jfd s ILE 21 Cb 0.04 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1jfd s ILE 21 CO 0.37 0.29 1.06 -2.84 0.00 0.00 0.00 174.94 173.82 1jfd s PRO 22 N 1.58 2.96 0.59 2.79 0.02 -1.26 0.11 135.00 141.78 1jfd s PRO 22 Ca 0.00 0.98 -0.18 0.00 0.02 0.00 0.00 61.00 61.82 1jfd s PRO 22 Cb -0.13 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1jfd s PRO 22 CO -0.04 -1.08 1.13 0.00 -0.33 0.00 0.00 177.00 176.67 1jfd s ALA 23 N -3.00 2.61 -1.55 -1.55 0.00 -1.25 -3.70 121.76 113.31 1jfd s ALA 23 Ca 0.58 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 53.14 1jfd s ALA 23 Cb -0.14 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.73 1jfd s ALA 23 CO 0.54 -0.97 0.89 0.09 0.00 0.00 0.00 175.76 176.31 1jfd n ASN 24 N -1.71 -4.51 -5.02 0.00 4.13 -0.58 -4.76 115.26 102.81 1jfd n ASN 24 Ca 0.11 -0.77 -0.19 0.00 1.68 0.00 0.00 54.58 55.42 1jfd n ASN 24 Cb 0.51 -3.62 0.04 0.00 -1.54 0.00 0.00 39.78 35.17 1jfd n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jfd s ALA 25 N -3.25 4.60 0.86 5.41 0.00 -1.24 -5.03 121.76 123.11 1jfd s ALA 25 Ca 0.65 -1.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1jfd s ALA 25 Cb -0.33 -1.56 0.12 0.00 0.00 0.00 0.00 23.12 21.35 1jfd s ALA 25 CO 0.80 -0.62 1.15 -0.51 0.00 0.00 0.00 175.76 176.58 1jfd s ASP 26 N -4.52 3.37 -0.52 0.00 1.01 -1.26 -4.79 116.67 109.96 1jfd s ASP 26 Ca 0.59 2.15 -0.05 0.00 0.71 0.00 0.00 52.55 55.95 1jfd s ASP 26 Cb -0.08 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 1jfd s ASP 26 CO 0.36 -2.80 2.11 -2.65 0.21 0.00 0.00 175.17 172.40 1jfd n PRO 27 N -3.91 1.63 -4.07 8.23 -0.02 -1.26 -4.81 135.00 130.80 1jfd n PRO 27 Ca 0.12 -1.06 -0.34 0.00 -2.02 0.00 0.00 63.50 60.19 1jfd n PRO 27 Cb 0.52 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 1jfd n PRO 27 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jfd s ILE 28 N 2.85 3.01 -0.58 4.25 1.01 -1.26 -1.17 121.20 129.30 1jfd s ILE 28 Ca 0.37 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 1jfd s ILE 28 Cb 0.13 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.34 1jfd s ILE 28 CO -0.02 0.46 0.77 -0.75 0.00 0.00 0.00 174.94 175.41 1jfd s LYS 29 N 1.29 3.11 0.32 2.79 2.36 0.09 -4.97 119.74 124.73 1jfd s LYS 29 Ca 0.03 -0.98 0.01 0.00 -2.55 0.00 0.00 55.97 52.49 1jfd s LYS 29 Cb -0.14 -4.19 -0.03 0.00 -1.05 0.00 0.00 37.83 32.42 1jfd s LYS 29 CO -0.05 -1.52 0.50 0.71 1.55 0.00 0.00 175.35 176.55 1jfd s TYR 30 N 3.14 3.49 -0.14 4.03 2.02 -1.26 0.43 117.35 129.06 1jfd s TYR 30 Ca 0.17 0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.97 1jfd s TYR 30 Cb -0.20 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1jfd s TYR 30 CO 0.10 0.20 0.46 -1.83 -1.57 0.00 0.00 175.55 172.91 1jfd s GLU 31 N -4.21 0.62 -0.24 -0.62 -1.05 -0.18 -4.72 118.70 108.31 1jfd s GLU 31 Ca 0.39 0.47 -0.29 0.00 -0.15 0.00 0.00 54.97 55.39 1jfd s GLU 31 Cb -0.09 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1jfd s GLU 31 CO 0.34 -0.11 1.03 0.42 0.95 0.00 0.00 175.26 177.89 1jfd s ILE 32 N -0.16 4.68 0.07 1.83 -1.09 -1.26 -0.22 121.20 125.04 1jfd s ILE 32 Ca -0.03 1.98 -0.31 0.00 -2.23 0.00 0.00 60.65 60.06 1jfd s ILE 32 Cb -0.03 -4.30 -0.08 0.00 -1.58 0.00 0.00 42.46 36.47 1jfd s ILE 32 CO 0.02 -0.19 1.59 -0.62 -1.23 0.00 0.00 174.94 174.52 1jfd s ASP 33 N 1.24 6.65 0.45 3.58 2.15 0.16 -4.89 116.67 126.00 1jfd s ASP 33 Ca 0.43 2.43 0.30 0.00 0.43 0.00 0.00 52.55 56.14 1jfd s ASP 33 Cb -0.15 -2.57 1.28 0.00 -0.30 0.00 0.00 42.92 41.19 1jfd s ASP 33 CO 0.07 -0.85 1.90 0.11 -0.17 0.00 0.00 175.17 176.23 1jfd h LYS 34 N 8.07 0.00 0.12 4.34 1.79 -1.94 0.36 116.57 129.31 1jfd h LYS 34 Ca -0.42 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.86 1jfd h LYS 34 Cb 1.20 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1jfd h LYS 34 CO 0.92 0.00 -0.90 0.93 -1.08 0.00 0.00 179.45 179.32 1jfd h GLU 35 N 0.00 0.26 0.00 3.15 4.39 -1.97 -3.40 114.58 117.00 1jfd h GLU 35 Ca 0.00 -0.45 -0.17 0.00 0.34 0.00 0.00 59.36 59.08 1jfd h GLU 35 Cb 0.42 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1jfd h GLU 35 CO 0.00 1.21 -2.04 -1.13 -1.16 0.00 0.00 179.01 175.89 1jfd n SER 36 N -4.12 0.72 0.00 1.42 3.41 -1.17 -4.99 113.62 108.89 1jfd n SER 36 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1jfd n SER 36 Cb 0.81 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 1jfd n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfd n GLY 37 N 1.71 0.78 3.90 5.00 0.00 0.13 -4.94 105.19 111.76 1jfd n GLY 37 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1jfd n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfd s ALA 38 N -2.89 3.36 -0.41 4.61 0.00 -1.26 -4.63 121.76 120.55 1jfd s ALA 38 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 1jfd s ALA 38 Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1jfd s ALA 38 CO 0.00 -0.30 1.00 -1.17 0.00 0.00 0.00 175.76 175.29 1jfd s LEU 39 N -4.57 3.89 0.02 0.00 2.96 -1.26 -0.66 118.68 119.05 1jfd s LEU 39 Ca 0.49 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1jfd s LEU 39 Cb -0.10 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1jfd s LEU 39 CO 0.43 -1.01 0.07 -0.36 -1.32 0.00 0.00 176.35 174.15 1jfd s PHE 40 N 3.83 3.23 -0.34 5.38 0.40 0.70 -4.94 117.98 126.24 1jfd s PHE 40 Ca 0.41 0.15 -0.26 0.00 -0.60 0.00 0.00 56.93 56.63 1jfd s PHE 40 Cb -0.10 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1jfd s PHE 40 CO 0.24 0.53 0.95 0.08 0.70 0.00 0.00 175.22 177.72 1jfd s VAL 41 N -1.23 4.60 -0.10 -0.44 1.01 -1.26 -1.01 120.40 121.97 1jfd s VAL 41 Ca 0.24 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.32 1jfd s VAL 41 Cb -0.12 -4.33 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 1jfd s VAL 41 CO 0.15 -0.47 0.91 -0.78 0.00 0.00 0.00 175.10 174.92 1jfd h ASP 42 N 8.29 -0.01 -5.40 3.32 3.58 -0.33 -3.48 116.42 122.40 1jfd h ASP 42 Ca -0.22 -0.79 0.30 0.00 0.42 0.00 0.00 57.03 56.74 1jfd h ASP 42 Cb 1.08 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.99 1jfd h ASP 42 CO 0.98 0.80 0.81 0.00 -2.88 0.00 0.00 179.24 178.95 1jfd s ARG 43 N -2.90 0.40 -0.26 0.28 1.70 -0.93 -5.02 118.95 112.22 1jfd s ARG 43 Ca -0.17 -0.21 -0.13 0.00 -0.47 0.00 0.00 55.73 54.75 1jfd s ARG 43 Cb -0.01 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1jfd s ARG 43 CO 0.66 -0.18 0.26 -0.06 -1.08 0.00 0.00 175.30 174.90 1jfd s PHE 44 N -2.46 3.27 0.34 5.89 0.08 -1.26 -0.73 117.98 123.12 1jfd s PHE 44 Ca 0.13 0.30 -0.29 0.00 0.12 0.00 0.00 56.93 57.19 1jfd s PHE 44 Cb 0.03 -2.43 -0.11 0.00 -0.57 0.00 0.00 43.02 39.95 1jfd s PHE 44 CO -0.04 -0.10 1.42 -1.64 -0.10 0.00 0.00 175.22 174.76 1jfd s MET 45 N 1.62 4.22 0.18 0.44 -1.94 -0.32 -4.94 119.30 118.56 1jfd s MET 45 Ca 0.11 2.42 0.23 0.00 -1.71 0.00 0.00 55.69 56.74 1jfd s MET 45 Cb -0.15 -3.02 0.16 0.00 2.01 0.00 0.00 34.83 33.83 1jfd s MET 45 CO 0.09 -0.40 1.19 0.66 -0.01 0.00 0.00 175.02 176.55 1jfd h SER 46 N 3.41 0.00 -2.86 3.03 4.64 -1.89 -3.47 113.55 116.40 1jfd h SER 46 Ca -0.50 -0.09 -0.52 0.00 -0.47 0.00 0.00 61.79 60.21 1jfd h SER 46 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1jfd h SER 46 CO 0.67 0.05 -0.28 0.42 -0.87 0.00 0.00 176.83 176.81 1jfd s THR 47 N -3.27 5.16 -1.34 2.95 -4.23 -1.26 -4.96 115.64 108.69 1jfd s THR 47 Ca 0.03 -0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 60.10 1jfd s THR 47 Cb 0.11 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.31 1jfd s THR 47 CO 0.75 -0.27 2.10 0.00 -0.54 0.00 0.00 174.62 176.67 1jfd n ALA 48 N -0.93 5.84 -2.23 3.99 0.00 -1.26 -4.90 120.51 121.03 1jfd n ALA 48 Ca -0.04 -4.16 -0.13 0.00 0.00 0.00 0.00 53.44 49.10 1jfd n ALA 48 Cb 0.54 -3.04 -0.10 0.00 0.00 0.00 0.00 19.45 16.86 1jfd n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jfd s MET 49 N 0.54 1.03 0.05 0.00 -1.94 -1.26 -5.17 119.30 112.55 1jfd s MET 49 Ca 0.45 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 1jfd s MET 49 Cb 0.13 -0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.57 1jfd s MET 49 CO -0.03 -0.04 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.30 1jfd s PHE 50 N -3.55 0.53 0.05 -0.03 -0.12 -1.26 -4.66 117.98 108.95 1jfd s PHE 50 Ca 0.19 -0.75 -0.31 0.00 -0.05 0.00 0.00 56.93 56.02 1jfd s PHE 50 Cb 0.05 -0.35 -0.07 0.00 -0.63 0.00 0.00 43.02 42.01 1jfd s PHE 50 CO 0.01 -0.22 1.58 0.71 -0.05 0.00 0.00 175.22 177.25 1jfd s TYR 51 N -2.53 2.56 0.25 3.49 1.51 -1.26 -4.87 117.35 116.50 1jfd s TYR 51 Ca -0.03 0.47 0.37 0.00 -1.01 0.00 0.00 57.07 56.87 1jfd s TYR 51 Cb -0.02 -3.88 1.69 0.00 -0.11 0.00 0.00 41.96 39.64 1jfd s TYR 51 CO -0.04 -3.44 2.09 -1.35 -1.11 0.00 0.00 175.55 171.70 1jfd h PRO 52 N 8.15 0.00 -4.44 -1.71 0.11 -1.93 -1.54 132.00 130.64 1jfd h PRO 52 Ca -0.41 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.46 1jfd h PRO 52 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 1jfd h PRO 52 CO 0.92 0.00 -0.50 0.00 -0.21 0.00 0.00 178.00 178.21 1jfd s ASN 54 N -3.16 6.35 -0.05 0.00 0.01 -0.88 -3.93 114.94 113.28 1jfd s ASN 54 Ca 0.36 2.17 0.04 0.00 -0.71 0.00 0.00 52.86 54.72 1jfd s ASN 54 Cb 0.05 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 1jfd s ASN 54 CO 0.13 -0.78 -0.17 -0.47 -1.51 0.00 0.00 177.10 174.30 1jfd s TYR 55 N -1.64 1.73 0.00 2.20 5.04 0.12 -0.22 117.35 124.57 1jfd s TYR 55 Ca 0.63 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1jfd s TYR 55 Cb -0.25 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 40.88 1jfd s TYR 55 CO 0.30 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.72 1jfd n GLY 56 N 3.29 3.42 3.34 8.97 0.00 -0.11 -0.95 105.19 123.14 1jfd n GLY 56 Ca -0.19 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1jfd n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfd s TYR 57 N -1.59 0.52 -0.22 1.61 1.13 -0.32 -0.89 117.35 117.60 1jfd s TYR 57 Ca 0.00 -0.87 -0.11 0.00 -1.41 0.00 0.00 57.07 54.68 1jfd s TYR 57 Cb 0.00 -0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 1jfd s TYR 57 CO 0.00 -0.73 0.18 0.42 -2.51 0.00 0.00 175.55 172.92 1jfd s ILE 58 N -4.00 5.36 0.50 -3.49 1.01 -0.43 -0.44 121.20 119.71 1jfd s ILE 58 Ca 0.21 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.91 1jfd s ILE 58 Cb 0.04 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.91 1jfd s ILE 58 CO 0.03 0.37 1.06 0.21 0.00 0.00 0.00 174.94 176.61 1jfd s ASN 59 N 0.81 6.15 -0.86 3.58 2.47 -1.26 -3.72 114.94 122.11 1jfd s ASN 59 Ca 0.09 2.00 -0.01 0.00 0.42 0.00 0.00 52.86 55.36 1jfd s ASN 59 Cb -0.13 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1jfd s ASN 59 CO 0.03 -0.91 0.20 1.41 -3.72 0.00 0.00 177.10 174.10 1jfd n HIS 60 N -1.08 -0.83 -4.32 0.43 8.25 -1.26 -3.79 115.22 112.62 1jfd n HIS 60 Ca 0.10 0.17 -0.18 0.00 -0.26 0.00 0.00 57.72 57.54 1jfd n HIS 60 Cb 0.52 -2.73 -0.10 0.00 1.12 0.00 0.00 29.99 28.79 1jfd n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jfd s THR 61 N -2.74 1.63 -0.16 1.59 -4.23 -1.24 -4.59 115.64 105.89 1jfd s THR 61 Ca 0.10 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1jfd s THR 61 Cb -0.04 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 71.96 1jfd s THR 61 CO 0.12 -0.54 0.23 -0.22 -0.54 0.00 0.00 174.62 173.67 1jfd s LEU 62 N -3.06 -0.19 0.70 4.79 2.96 0.29 -4.03 118.68 120.14 1jfd s LEU 62 Ca 0.19 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1jfd s LEU 62 Cb -0.02 0.50 0.05 0.00 0.50 0.00 0.00 46.19 47.22 1jfd s LEU 62 CO 0.06 -0.28 1.01 -0.44 -1.32 0.00 0.00 176.35 175.38 1jfd s SER 63 N 2.36 4.93 0.54 3.68 0.01 0.38 -4.46 113.70 121.14 1jfd s SER 63 Ca 0.05 0.55 0.26 0.00 1.31 0.00 0.00 55.95 58.12 1jfd s SER 63 Cb -0.14 -1.24 1.54 0.00 0.21 0.00 0.00 66.02 66.39 1jfd s SER 63 CO -0.10 -1.53 2.14 -0.07 0.41 0.00 0.00 173.24 174.09 1jfd h LEU 64 N -0.58 0.00 -0.04 2.44 3.38 -1.99 -0.22 115.31 118.30 1jfd h LEU 64 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1jfd h LEU 64 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jfd h LEU 64 CO 0.61 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 1jfd n ASP 65 N -3.86 0.07 0.00 -0.43 5.75 -1.26 -4.89 116.55 111.93 1jfd n ASP 65 Ca -0.02 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1jfd n ASP 65 Cb 0.16 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1jfd n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfd n GLY 66 N 0.63 0.42 3.70 6.12 0.00 -0.09 -5.07 105.19 110.90 1jfd n GLY 66 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1jfd n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jfd s ASP 67 N -2.53 4.81 0.83 1.61 1.01 -1.26 -4.79 116.67 116.36 1jfd s ASP 67 Ca 0.00 -0.56 -0.11 0.00 0.71 0.00 0.00 52.55 52.60 1jfd s ASP 67 Cb 0.00 -0.98 0.10 0.00 1.01 0.00 0.00 42.92 43.05 1jfd s ASP 67 CO 0.00 -0.04 1.12 -2.16 0.21 0.00 0.00 175.17 174.30 1jfd s PRO 68 N -3.73 1.69 -0.03 8.23 0.04 -1.26 -0.47 135.00 139.47 1jfd s PRO 68 Ca 0.32 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1jfd s PRO 68 Cb -0.06 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1jfd s PRO 68 CO 0.21 -2.10 1.81 0.08 0.04 0.00 0.00 177.00 177.04 1jfd s VAL 69 N -2.74 3.32 0.17 -0.36 1.01 -1.26 -4.73 120.40 115.81 1jfd s VAL 69 Ca 0.64 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1jfd s VAL 69 Cb -0.20 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 1jfd s VAL 69 CO 0.56 -0.04 0.57 1.51 0.00 0.00 0.00 175.10 177.70 1jfd s ASP 70 N 4.04 6.82 0.03 3.32 1.47 -1.26 -1.31 116.67 129.78 1jfd s ASP 70 Ca 0.81 1.10 0.02 0.00 1.18 0.00 0.00 52.55 55.66 1jfd s ASP 70 Cb -0.37 -2.30 -0.02 0.00 -0.34 0.00 0.00 42.92 39.90 1jfd s ASP 70 CO 0.35 0.07 -0.08 -0.69 0.68 0.00 0.00 175.17 175.50 1jfd s VAL 71 N -1.52 0.58 -0.17 2.11 1.01 -0.06 -1.82 120.40 120.52 1jfd s VAL 71 Ca 0.40 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1jfd s VAL 71 Cb -0.15 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1jfd s VAL 71 CO 0.19 -0.23 -0.02 -0.76 0.00 0.00 0.00 175.10 174.29 1jfd s LEU 72 N -1.21 3.28 -0.23 3.92 1.43 -0.05 -0.94 118.68 124.89 1jfd s LEU 72 Ca -0.06 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1jfd s LEU 72 Cb -0.08 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1jfd s LEU 72 CO 0.00 0.13 -0.04 -0.69 0.23 0.00 0.00 176.35 175.98 1jfd s VAL 73 N 0.60 1.36 0.27 -1.59 1.01 0.69 -1.57 120.40 121.18 1jfd s VAL 73 Ca -0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 1jfd s VAL 73 Cb -0.14 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 1jfd s VAL 73 CO 0.02 -0.11 0.98 -2.16 0.00 0.00 0.00 175.10 173.84 1jfd s PRO 74 N 1.47 4.74 0.08 2.72 0.04 -1.25 -2.07 135.00 140.72 1jfd s PRO 74 Ca -0.05 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1jfd s PRO 74 Cb -0.18 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1jfd s PRO 74 CO -0.06 0.39 0.01 0.95 0.04 0.00 0.00 177.00 178.32 1jfd s THR 75 N -1.26 0.18 0.05 1.26 -4.23 -1.26 -4.40 115.64 105.98 1jfd s THR 75 Ca 0.44 -1.82 0.30 0.00 -1.18 0.00 0.00 61.69 59.43 1jfd s THR 75 Cb -0.26 -1.68 0.35 0.00 1.34 0.00 0.00 72.50 72.25 1jfd s THR 75 CO 0.33 -0.82 1.90 1.55 -0.54 0.00 0.00 174.62 177.04 1jfd h PRO 76 N 3.04 0.00 -4.04 3.99 0.13 -2.04 -3.43 132.00 129.65 1jfd h PRO 76 Ca -0.34 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.55 1jfd h PRO 76 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 1jfd h PRO 76 CO 0.63 0.06 -0.72 0.71 -0.23 0.00 0.00 178.00 178.45 1jfd s TYR 77 N -3.61 0.27 0.38 1.56 2.02 -1.26 -5.13 117.35 111.57 1jfd s TYR 77 Ca 0.02 -0.25 -0.28 0.00 -0.37 0.00 0.00 57.07 56.18 1jfd s TYR 77 Cb 0.09 -0.17 -0.11 0.00 -0.40 0.00 0.00 41.96 41.36 1jfd s TYR 77 CO 0.58 -0.07 1.47 -2.30 -1.57 0.00 0.00 175.55 173.65 1jfd n PRO 78 N 2.36 2.61 -2.69 -1.71 -0.02 -1.26 -4.99 135.00 129.29 1jfd n PRO 78 Ca -0.17 0.91 -0.24 0.00 -2.02 0.00 0.00 63.50 61.98 1jfd n PRO 78 Cb 0.57 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1jfd n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jfd s LEU 79 N -1.97 3.39 0.14 2.45 1.43 -1.26 -4.97 118.68 117.90 1jfd s LEU 79 Ca 0.54 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.71 1jfd s LEU 79 Cb -0.48 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1jfd s LEU 79 CO 0.64 -0.96 0.86 -1.58 0.23 0.00 0.00 176.35 175.54 1jfd s GLN 80 N -4.77 4.66 0.30 1.70 2.00 -1.26 -4.47 119.66 117.82 1jfd s GLN 80 Ca 0.53 1.30 -0.29 0.00 -2.00 0.00 0.00 55.36 54.89 1jfd s GLN 80 Cb -0.10 -3.32 -0.10 0.00 0.80 0.00 0.00 33.01 30.29 1jfd s GLN 80 CO 0.40 0.40 1.43 -2.14 -0.50 0.00 0.00 175.29 174.89 1jfd s PRO 81 N -0.63 4.25 0.00 1.67 0.02 -1.26 -1.74 135.00 137.32 1jfd s PRO 81 Ca 0.41 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1jfd s PRO 81 Cb -0.23 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1jfd s PRO 81 CO 0.28 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1jfd n GLY 82 N 1.54 0.76 3.94 0.52 0.00 0.22 -5.00 105.19 107.17 1jfd n GLY 82 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1jfd n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jfd s SER 83 N -2.89 5.91 -0.08 1.61 1.04 -0.71 -4.82 113.70 113.77 1jfd s SER 83 Ca 0.00 0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.87 1jfd s SER 83 Cb 0.00 -1.67 -0.00 0.00 0.10 0.00 0.00 66.02 64.44 1jfd s SER 83 CO 0.00 -0.66 -0.24 -0.69 0.98 0.00 0.00 173.24 172.62 1jfd s VAL 84 N -2.57 2.06 -0.05 5.02 1.01 -1.26 -0.63 120.40 123.97 1jfd s VAL 84 Ca 0.47 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1jfd s VAL 84 Cb -0.10 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1jfd s VAL 84 CO 0.39 0.56 -0.20 -0.51 0.00 0.00 0.00 175.10 175.34 1jfd s ILE 85 N 0.12 1.70 -0.10 2.22 2.07 -0.47 -4.93 121.20 121.80 1jfd s ILE 85 Ca -0.12 -0.86 -0.30 0.00 -1.41 0.00 0.00 60.65 57.96 1jfd s ILE 85 Cb -0.16 -1.46 -0.02 0.00 0.13 0.00 0.00 42.46 40.95 1jfd s ILE 85 CO 0.07 0.48 1.14 -0.60 -1.91 0.00 0.00 174.94 174.12 1jfd s ARG 86 N 0.02 4.34 0.37 3.50 3.52 -1.26 -1.30 118.95 128.14 1jfd s ARG 86 Ca -0.06 1.56 0.04 0.00 -0.13 0.00 0.00 55.73 57.15 1jfd s ARG 86 Cb -0.13 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1jfd s ARG 86 CO 0.03 -0.47 0.15 0.00 -0.81 0.00 0.00 175.30 174.20 1jfd s ARG 88 N -3.72 0.30 0.33 0.00 3.52 -0.11 -1.49 118.95 117.79 1jfd s ARG 88 Ca 0.29 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.82 1jfd s ARG 88 Cb 0.03 -0.74 -0.10 0.00 -1.56 0.00 0.00 34.95 32.58 1jfd s ARG 88 CO 0.17 -0.30 1.31 -1.25 -0.81 0.00 0.00 175.30 174.42 1jfd s PRO 89 N 1.97 4.35 0.00 5.12 0.04 -1.26 -1.21 135.00 144.01 1jfd s PRO 89 Ca 0.04 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jfd s PRO 89 Cb -0.12 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1jfd s PRO 89 CO -0.04 -0.19 0.02 1.33 0.04 0.00 0.00 177.00 178.15 1jfd n VAL 90 N 0.80 0.00 -0.73 -0.36 0.24 -0.38 -4.87 118.33 113.04 1jfd n VAL 90 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1jfd n VAL 90 Cb 0.42 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1jfd n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jfd n GLY 91 N 0.47 -1.38 3.17 7.63 0.00 -1.18 0.17 105.19 114.06 1jfd n GLY 91 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1jfd n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfd s VAL 92 N -2.23 -0.00 -0.32 1.61 0.11 -0.43 -1.91 120.40 117.22 1jfd s VAL 92 Ca 0.00 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 1jfd s VAL 92 Cb 0.00 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1jfd s VAL 92 CO 0.00 0.01 0.27 -0.22 -3.33 0.00 0.00 175.10 171.82 1jfd s LEU 93 N 0.26 4.34 -0.09 2.54 2.96 0.91 -0.58 118.68 129.01 1jfd s LEU 93 Ca -0.01 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 1jfd s LEU 93 Cb -0.03 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1jfd s LEU 93 CO -0.01 -0.21 0.41 -0.54 -1.32 0.00 0.00 176.35 174.69 1jfd s LYS 94 N 1.83 4.20 0.26 1.98 -0.14 0.80 -0.79 119.74 127.87 1jfd s LYS 94 Ca 0.08 0.36 -0.02 0.00 -1.36 0.00 0.00 55.97 55.03 1jfd s LYS 94 Cb -0.17 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1jfd s LYS 94 CO 0.11 0.33 0.29 -1.64 -0.76 0.00 0.00 175.35 173.68 1jfd s MET 95 N 0.10 1.49 -0.01 1.68 -1.94 -0.24 0.04 119.30 120.42 1jfd s MET 95 Ca 0.23 -1.63 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 1jfd s MET 95 Cb -0.15 0.35 0.02 0.00 2.01 0.00 0.00 34.83 37.06 1jfd s MET 95 CO 0.10 -0.56 0.01 0.99 -0.01 0.00 0.00 175.02 175.55 1jfd s THR 96 N -3.81 -0.01 0.00 2.05 2.01 -0.21 0.14 115.64 115.80 1jfd s THR 96 Ca 0.34 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1jfd s THR 96 Cb 0.03 -0.07 0.00 0.00 0.01 0.00 0.00 72.50 72.48 1jfd s THR 96 CO 0.15 0.05 0.00 -0.90 -0.69 0.00 0.00 174.62 173.24 1jfd n ASP 97 N 3.66 0.93 0.17 3.53 5.68 0.92 -0.76 116.55 130.68 1jfd n ASP 97 Ca -0.20 -0.67 0.13 0.00 -0.50 0.00 0.00 54.79 53.54 1jfd n ASP 97 Cb 0.55 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.10 1jfd n ASP 97 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jfd h GLU 98 N 0.00 0.00 0.00 0.11 9.09 -1.88 -2.78 114.58 119.12 1jfd h GLU 98 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jfd h GLU 98 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1jfd h GLU 98 CO 0.00 0.00 -1.07 0.00 0.05 0.00 0.00 179.01 177.99 1jfd n ALA 99 N -1.84 4.55 0.00 1.06 0.00 -1.26 -5.08 120.51 117.94 1jfd n ALA 99 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1jfd n ALA 99 Cb 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1jfd n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfd n GLY 100 N 1.48 0.84 3.89 0.00 0.00 -1.05 -5.09 105.19 105.25 1jfd n GLY 100 Ca 0.03 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1jfd n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jfd s GLU 101 N -1.99 3.68 0.16 1.61 -1.05 -1.26 -0.06 118.70 119.79 1jfd s GLU 101 Ca 0.00 0.38 -0.05 0.00 -0.15 0.00 0.00 54.97 55.15 1jfd s GLU 101 Cb 0.00 -2.37 -0.02 0.00 -0.44 0.00 0.00 34.13 31.29 1jfd s GLU 101 CO 0.00 -0.12 0.18 0.34 0.95 0.00 0.00 175.26 176.61 1jfd s ASP 102 N -3.54 0.16 -0.21 0.83 2.15 0.12 -4.86 116.67 111.32 1jfd s ASP 102 Ca 0.50 -1.06 -0.17 0.00 0.43 0.00 0.00 52.55 52.25 1jfd s ASP 102 Cb -0.10 0.38 0.06 0.00 -0.30 0.00 0.00 42.92 42.95 1jfd s ASP 102 CO 0.37 -0.83 0.55 0.00 -0.17 0.00 0.00 175.17 175.09 1jfd s ALA 103 N -4.02 -1.38 -0.11 3.66 0.00 -1.26 -1.08 121.76 117.57 1jfd s ALA 103 Ca 0.22 1.67 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1jfd s ALA 103 Cb 0.05 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1jfd s ALA 103 CO 0.02 -0.28 -0.19 0.15 0.00 0.00 0.00 175.76 175.47 1jfd s LYS 104 N 0.67 2.56 0.51 0.00 -0.14 0.03 -4.71 119.74 118.65 1jfd s LYS 104 Ca -0.03 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 53.75 1jfd s LYS 104 Cb -0.05 -2.06 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 1jfd s LYS 104 CO -0.04 0.02 0.94 -0.51 -0.76 0.00 0.00 175.35 175.00 1jfd s LEU 105 N 0.74 3.59 -0.11 3.17 2.01 -0.76 -0.06 118.68 127.26 1jfd s LEU 105 Ca -0.11 1.43 0.02 0.00 0.01 0.00 0.00 54.13 55.48 1jfd s LEU 105 Cb -0.16 -4.38 0.01 0.00 0.01 0.00 0.00 46.19 41.68 1jfd s LEU 105 CO 0.02 -0.61 -0.18 -0.69 1.01 0.00 0.00 176.35 175.90 1jfd s VAL 106 N -2.69 1.67 0.02 -1.59 1.01 -0.80 -0.87 120.40 117.15 1jfd s VAL 106 Ca 0.56 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1jfd s VAL 106 Cb -0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1jfd s VAL 106 CO 0.36 0.47 -0.09 0.00 0.00 0.00 0.00 175.10 175.85 1jfd s ALA 107 N 0.79 0.72 0.25 5.51 0.00 -0.61 -1.25 121.76 127.18 1jfd s ALA 107 Ca -0.10 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1jfd s ALA 107 Cb -0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1jfd s ALA 107 CO 0.01 0.11 0.14 0.14 0.00 0.00 0.00 175.76 176.16 1jfd s VAL 108 N -0.70 4.16 0.42 0.00 -7.23 -0.35 -3.96 120.40 112.74 1jfd s VAL 108 Ca -0.01 -1.54 -0.26 0.00 -1.81 0.00 0.00 61.98 58.35 1jfd s VAL 108 Cb -0.06 -3.24 -0.10 0.00 0.56 0.00 0.00 36.38 33.54 1jfd s VAL 108 CO 0.00 -0.35 1.46 -2.65 -0.31 0.00 0.00 175.10 173.25 1jfd n PRO 109 N -1.08 2.43 -1.82 4.82 -0.02 -1.26 -0.93 135.00 137.14 1jfd n PRO 109 Ca -0.07 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 1jfd n PRO 109 Cb 0.58 -2.65 0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1jfd n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1jfd s HIS 110 N -1.16 2.23 0.67 6.00 2.46 -0.06 -4.72 115.29 120.71 1jfd s HIS 110 Ca 0.58 1.52 0.42 0.00 0.47 0.00 0.00 55.06 58.05 1jfd s HIS 110 Cb -0.46 -3.54 2.28 0.00 -0.13 0.00 0.00 32.58 30.73 1jfd s HIS 110 CO 0.60 -2.50 2.29 0.77 -2.47 0.00 0.00 174.74 173.43 1jfd h SER 111 N 0.54 0.00 1.09 9.88 0.02 -1.91 0.32 113.55 123.50 1jfd h SER 111 Ca -0.50 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 1jfd h SER 111 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1jfd h SER 111 CO 0.53 0.00 -0.34 0.11 -1.14 0.00 0.00 176.83 175.99 1jfd h LYS 112 N 0.00 0.00 0.00 3.45 1.79 -1.95 -3.22 116.57 116.64 1jfd h LYS 112 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1jfd h LYS 112 Cb 0.13 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1jfd h LYS 112 CO -0.00 0.34 -1.60 -0.07 -1.08 0.00 0.00 179.45 177.04 1jfd h LEU 113 N 0.00 0.00 -7.00 2.94 4.07 -1.29 -3.48 115.31 110.55 1jfd h LEU 113 Ca -0.00 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.09 1jfd h LEU 113 Cb 0.98 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.44 1jfd h LEU 113 CO 0.04 0.89 0.69 -0.55 -1.08 0.00 0.00 178.44 178.43 1jfd s SER 114 N -6.04 -0.24 0.00 -0.43 0.15 -1.05 -5.03 113.70 101.06 1jfd s SER 114 Ca -0.04 0.41 0.23 0.00 0.70 0.00 0.00 55.95 57.25 1jfd s SER 114 Cb 0.08 0.40 0.48 0.00 -1.71 0.00 0.00 66.02 65.28 1jfd s SER 114 CO 0.82 -0.12 1.43 0.29 1.20 0.00 0.00 173.24 176.86 1jfd n LYS 115 N 1.53 2.38 0.29 5.44 4.76 -1.26 -3.88 118.16 127.42 1jfd n LYS 115 Ca -0.10 -2.08 0.17 0.00 -2.87 0.00 0.00 58.31 53.43 1jfd n LYS 115 Cb 0.57 -1.49 0.85 0.00 -1.84 0.00 0.00 35.03 33.12 1jfd n LYS 115 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1jfd h GLU 116 N 4.07 0.00 -0.15 1.97 4.81 -1.94 -3.02 114.58 120.31 1jfd h GLU 116 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jfd h GLU 116 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1jfd h GLU 116 CO 0.00 0.04 0.00 0.66 -0.73 0.00 0.00 179.01 178.98 1jfd n TYR 117 N -3.26 0.44 0.06 0.92 4.02 -1.26 -4.69 117.16 113.39 1jfd n TYR 117 Ca -0.01 -0.83 0.02 0.00 -0.01 0.00 0.00 57.90 57.07 1jfd n TYR 117 Cb 0.22 -0.19 0.37 0.00 -0.02 0.00 0.00 39.34 39.72 1jfd n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1jfd h ASP 118 N 0.99 0.35 0.00 7.72 5.19 -1.82 -2.31 116.42 126.55 1jfd h ASP 118 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1jfd h ASP 118 Cb 1.09 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1jfd h ASP 118 CO 0.09 0.43 0.00 0.00 -3.12 0.00 0.00 179.24 176.64 1jfd n HIS 119 N -4.31 0.00 -3.56 4.55 1.44 -1.26 -4.55 115.22 107.52 1jfd n HIS 119 Ca 0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1jfd n HIS 119 Cb 0.22 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.24 1jfd n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1jfd s ILE 120 N -2.00 4.38 -0.03 0.61 1.01 -0.87 -4.87 121.20 119.43 1jfd s ILE 120 Ca 0.37 -1.45 0.14 0.00 0.00 0.00 0.00 60.65 59.71 1jfd s ILE 120 Cb 0.17 -3.72 -0.22 0.00 0.01 0.00 0.00 42.46 38.70 1jfd s ILE 120 CO 0.29 -0.59 0.29 0.29 0.00 0.00 0.00 174.94 175.22 1jfd n LYS 121 N 4.96 0.56 -4.06 2.79 4.76 -1.26 -5.02 118.16 120.88 1jfd n LYS 121 Ca -0.10 -0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.12 1jfd n LYS 121 Cb 0.42 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.21 1jfd n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jfd s ASP 122 N -3.73 0.01 0.49 4.39 -1.08 -1.26 -4.80 116.67 110.70 1jfd s ASP 122 Ca -0.05 -1.09 0.25 0.00 -0.52 0.00 0.00 52.55 51.14 1jfd s ASP 122 Cb 0.09 0.52 1.31 0.00 -1.46 0.00 0.00 42.92 43.38 1jfd s ASP 122 CO 0.59 -1.05 1.90 1.62 0.52 0.00 0.00 175.17 178.75 1jfd h VAL 123 N 2.36 0.64 -0.01 1.11 3.04 -0.57 0.75 116.25 123.58 1jfd h VAL 123 Ca -0.29 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1jfd h VAL 123 Cb 1.25 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1jfd h VAL 123 CO 0.41 0.03 -0.00 0.59 -1.01 0.00 0.00 177.57 177.58 1jfd n ASN 124 N -4.38 0.68 0.07 3.17 3.02 -1.26 -3.13 115.26 113.43 1jfd n ASN 124 Ca 0.17 -1.21 0.05 0.00 -0.03 0.00 0.00 54.58 53.55 1jfd n ASN 124 Cb 0.79 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 1jfd n ASN 124 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1jfd h ASP 125 N 1.07 0.00 -4.03 6.41 3.32 -1.21 -3.47 116.42 118.50 1jfd h ASP 125 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1jfd h ASP 125 Cb 0.23 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.90 1jfd h ASP 125 CO 0.00 0.35 0.60 -0.76 -1.72 0.00 0.00 179.24 177.71 1jfd s LEU 126 N -5.72 3.92 0.32 1.55 1.43 -1.19 -4.92 118.68 114.08 1jfd s LEU 126 Ca -0.01 2.70 -0.29 0.00 -1.03 0.00 0.00 54.13 55.49 1jfd s LEU 126 Cb 0.09 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 41.98 1jfd s LEU 126 CO 0.79 -1.39 1.55 -2.84 0.23 0.00 0.00 176.35 174.70 1jfd s PRO 127 N -2.80 4.12 0.42 1.29 0.02 -1.26 -4.89 135.00 131.91 1jfd s PRO 127 Ca 0.68 2.57 0.09 0.00 0.02 0.00 0.00 61.00 64.37 1jfd s PRO 127 Cb -0.39 -3.01 0.93 0.00 0.02 0.00 0.00 34.50 32.06 1jfd s PRO 127 CO 0.46 -0.59 2.04 1.49 -0.33 0.00 0.00 177.00 180.07 1jfd h GLU 128 N 4.27 0.47 -0.17 5.54 4.22 -1.94 -2.41 114.58 124.56 1jfd h GLU 128 Ca -0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 1jfd h GLU 128 Cb 1.23 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1jfd h GLU 128 CO 0.74 0.31 0.08 1.25 -2.18 0.00 0.00 179.01 179.22 1jfd h LEU 129 N 0.48 0.22 -0.33 1.64 5.85 -1.99 -1.56 115.31 119.62 1jfd h LEU 129 Ca 0.18 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1jfd h LEU 129 Cb 0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1jfd h LEU 129 CO -0.04 0.28 0.13 0.25 -0.34 0.00 0.00 178.44 178.72 1jfd h LEU 130 N 0.15 0.16 -0.74 2.25 5.85 -1.82 -0.05 115.31 121.11 1jfd h LEU 130 Ca 0.06 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1jfd h LEU 130 Cb 0.12 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1jfd h LEU 130 CO -0.01 0.13 0.45 0.11 -0.34 0.00 0.00 178.44 178.78 1jfd h LYS 131 N 0.28 0.83 -0.64 1.25 1.57 -1.32 0.03 116.57 118.57 1jfd h LYS 131 Ca 0.14 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1jfd h LYS 131 Cb 0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1jfd h LYS 131 CO -0.13 0.55 0.14 0.00 -0.57 0.00 0.00 179.45 179.44 1jfd h ALA 132 N 1.34 1.04 -0.30 3.86 0.00 -0.63 -0.94 119.26 123.63 1jfd h ALA 132 Ca 0.31 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1jfd h ALA 132 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jfd h ALA 132 CO -0.14 0.63 -0.23 1.96 0.00 0.00 0.00 179.25 181.46 1jfd h GLN 133 N 0.97 0.69 -0.09 0.00 4.20 -0.40 0.13 115.11 120.61 1jfd h GLN 133 Ca 0.20 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1jfd h GLN 133 Cb 0.36 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1jfd h GLN 133 CO 0.00 0.95 0.04 0.82 -0.67 0.00 0.00 178.83 179.97 1jfd h ILE 134 N 0.45 1.13 0.01 2.54 2.04 -0.88 0.34 117.51 123.14 1jfd h ILE 134 Ca 0.06 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1jfd h ILE 134 Cb 0.79 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1jfd h ILE 134 CO 0.06 0.11 -0.15 0.00 0.00 0.00 0.00 178.15 178.18 1jfd h ALA 135 N 0.90 -0.19 -1.01 1.87 0.00 -1.14 -2.22 119.26 117.46 1jfd h ALA 135 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1jfd h ALA 135 Cb 0.15 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1jfd h ALA 135 CO -0.00 -0.65 0.65 1.25 0.00 0.00 0.00 179.25 180.50 1jfd h HIS 136 N -0.26 1.21 0.02 0.00 -0.00 -0.83 -2.33 115.15 112.96 1jfd h HIS 136 Ca 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1jfd h HIS 136 Cb 0.31 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1jfd h HIS 136 CO -0.20 0.62 -0.01 0.35 -0.00 0.00 0.00 177.93 178.70 1jfd h PHE 137 N 1.18 -0.02 0.00 5.26 3.57 -0.36 -2.57 116.94 124.00 1jfd h PHE 137 Ca 0.44 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 1jfd h PHE 137 Cb 0.17 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1jfd h PHE 137 CO -0.00 0.13 -0.24 0.74 -2.23 0.00 0.00 178.31 176.71 1jfd h PHE 138 N -0.17 0.00 0.00 0.41 0.04 -1.18 0.15 116.94 116.19 1jfd h PHE 138 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jfd h PHE 138 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1jfd h PHE 138 CO -0.03 0.24 0.00 0.93 -0.60 0.00 0.00 178.31 178.85 1jfd h GLU 139 N 0.00 0.00 0.00 1.51 5.08 -1.31 -3.38 114.58 116.48 1jfd h GLU 139 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jfd h GLU 139 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jfd h GLU 139 CO 0.03 0.00 -0.43 0.72 -1.00 0.00 0.00 179.01 178.33 1jfd n HIS 140 N -2.70 0.00 0.28 4.33 8.25 -0.73 -4.65 115.22 120.00 1jfd n HIS 140 Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.63 1jfd n HIS 140 Cb 0.40 0.00 0.81 0.00 1.12 0.00 0.00 29.99 32.32 1jfd n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1jfd h TYR 141 N 0.00 0.00 -0.63 4.41 -0.00 -0.91 -1.68 116.97 118.15 1jfd h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1jfd h TYR 141 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1jfd h TYR 141 CO 0.00 0.06 0.00 1.63 -0.00 0.00 0.00 178.16 179.85 1jfd n LYS 142 N -3.83 3.96 0.02 0.10 5.02 -1.26 -4.41 118.16 117.76 1jfd n LYS 142 Ca -0.02 -2.90 0.08 0.00 -2.02 0.00 0.00 58.31 53.44 1jfd n LYS 142 Cb 0.15 -1.97 0.49 0.00 -0.02 0.00 0.00 35.03 33.68 1jfd n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1jfd h ASP 143 N 4.05 0.35 -0.36 4.39 3.32 -1.62 -1.08 116.42 125.47 1jfd h ASP 143 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jfd h ASP 143 Cb 1.56 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1jfd h ASP 143 CO 0.29 0.24 0.00 0.18 -1.72 0.00 0.00 179.24 178.23 1jfd n LEU 144 N -4.48 2.22 -4.52 1.55 4.77 -1.26 -4.79 117.00 110.49 1jfd n LEU 144 Ca 0.04 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.55 1jfd n LEU 144 Cb 0.18 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1jfd n LEU 144 CO 0.35 0.53 -0.00 -1.61 -1.33 0.00 0.00 177.39 175.32 1jfd s GLU 145 N -1.52 3.42 0.19 3.23 2.02 -0.41 -5.03 118.70 120.60 1jfd s GLU 145 Ca 0.30 -0.58 -0.33 0.00 0.02 0.00 0.00 54.97 54.39 1jfd s GLU 145 Cb 0.16 -3.85 -0.13 0.00 0.10 0.00 0.00 34.13 30.42 1jfd s GLU 145 CO 0.22 -0.57 1.67 1.63 0.02 0.00 0.00 175.26 178.22 1jfd n LYS 146 N 5.33 2.51 -1.03 1.61 4.76 -1.26 -2.54 118.16 127.54 1jfd n LYS 146 Ca -0.10 0.91 -0.01 0.00 -2.87 0.00 0.00 58.31 56.24 1jfd n LYS 146 Cb 0.49 -2.72 -0.00 0.00 -1.84 0.00 0.00 35.03 30.95 1jfd n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jfd n GLY 147 N 3.74 0.49 3.34 0.72 0.00 -1.26 -5.03 105.19 107.19 1jfd n GLY 147 Ca 0.16 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1jfd n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfd s LYS 148 N -0.97 1.89 0.10 1.61 1.02 -1.05 -4.87 119.74 117.47 1jfd s LYS 148 Ca 0.00 -1.06 -0.18 0.00 0.02 0.00 0.00 55.97 54.75 1jfd s LYS 148 Cb 0.00 -2.00 0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1jfd s LYS 148 CO 0.00 0.53 0.43 1.67 -0.92 0.00 0.00 175.35 177.05 1jfd s TRP 149 N -0.76 -0.26 -0.03 3.18 1.48 -1.26 -4.82 118.94 116.47 1jfd s TRP 149 Ca 0.11 0.05 -0.03 0.00 -1.06 0.00 0.00 56.10 55.17 1jfd s TRP 149 Cb -0.10 0.28 0.01 0.00 -1.16 0.00 0.00 33.47 32.50 1jfd s TRP 149 CO 0.01 -0.68 0.09 0.08 -4.06 0.00 0.00 176.95 172.40 1jfd s VAL 150 N -3.38 0.00 -0.07 -0.66 1.01 -1.26 -3.11 120.40 112.93 1jfd s VAL 150 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1jfd s VAL 150 Cb 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.27 1jfd s VAL 150 CO -0.09 -0.02 -0.01 -0.75 0.00 0.00 0.00 175.10 174.23 1jfd s LYS 151 N -0.01 0.75 0.02 2.72 2.20 0.06 -4.77 119.74 120.71 1jfd s LYS 151 Ca -0.01 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 1jfd s LYS 151 Cb -0.01 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.23 1jfd s LYS 151 CO 0.00 -0.28 0.99 0.08 -0.36 0.00 0.00 175.35 175.78 1jfd s VAL 152 N 1.84 4.79 -0.19 4.02 1.01 -1.26 -1.05 120.40 129.56 1jfd s VAL 152 Ca 0.03 2.04 -0.20 0.00 0.00 0.00 0.00 61.98 63.85 1jfd s VAL 152 Cb -0.12 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 31.78 1jfd s VAL 152 CO -0.05 0.18 0.21 -0.33 0.00 0.00 0.00 175.10 175.10 1jfd h GLU 153 N 6.66 0.00 0.00 2.72 3.07 -0.73 -3.48 114.58 122.82 1jfd h GLU 153 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1jfd h GLU 153 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1jfd h GLU 153 CO 0.75 0.85 0.00 0.41 -1.40 0.00 0.00 179.01 179.62 1jfd n GLY 154 N 1.48 -2.03 3.83 -3.84 0.00 -1.06 -5.00 105.19 98.57 1jfd n GLY 154 Ca -0.26 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 1jfd n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jfd s TRP 155 N -2.47 3.24 0.12 1.61 0.52 -1.26 -0.14 118.94 120.55 1jfd s TRP 155 Ca 0.00 0.03 0.05 0.00 0.02 0.00 0.00 56.10 56.20 1jfd s TRP 155 Cb 0.00 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1jfd s TRP 155 CO 0.00 0.52 -0.13 -1.21 0.02 0.00 0.00 176.95 176.16 1jfd s GLU 156 N -3.02 0.98 1.23 4.98 2.02 0.25 -4.94 118.70 120.20 1jfd s GLU 156 Ca 0.32 -1.24 -0.20 0.00 0.02 0.00 0.00 54.97 53.86 1jfd s GLU 156 Cb -0.11 -0.78 0.30 0.00 0.10 0.00 0.00 34.13 33.65 1jfd s GLU 156 CO 0.24 0.14 1.11 0.54 0.02 0.00 0.00 175.26 177.32 1jfd s ASN 157 N -2.53 0.68 0.37 -0.19 2.20 -1.26 -1.32 114.94 112.89 1jfd s ASN 157 Ca 0.09 0.54 0.04 0.00 -0.94 0.00 0.00 52.86 52.60 1jfd s ASN 157 Cb -0.04 -0.72 0.73 0.00 -2.00 0.00 0.00 41.25 39.23 1jfd s ASN 157 CO 0.02 -4.26 2.02 0.00 -2.94 0.00 0.00 177.10 171.94 1jfd h ALA 158 N -2.68 1.63 -0.69 3.54 0.00 -1.83 -2.29 119.26 116.93 1jfd h ALA 158 Ca -0.43 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1jfd h ALA 158 Cb 1.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1jfd h ALA 158 CO 0.30 0.34 0.14 0.93 0.00 0.00 0.00 179.25 180.95 1jfd h GLU 159 N 0.74 1.13 -0.06 0.00 4.39 -1.92 0.28 114.58 119.13 1jfd h GLU 159 Ca 0.21 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1jfd h GLU 159 Cb -0.04 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1jfd h GLU 159 CO -0.05 1.01 -0.32 0.00 -1.16 0.00 0.00 179.01 178.49 1jfd h ALA 160 N 1.07 1.35 -0.08 3.43 0.00 -1.77 -1.55 119.26 121.71 1jfd h ALA 160 Ca 0.21 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jfd h ALA 160 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jfd h ALA 160 CO 0.01 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 1jfd h ALA 161 N 1.57 0.13 -0.86 0.00 0.00 -0.87 -2.23 119.26 117.00 1jfd h ALA 161 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jfd h ALA 161 Cb 0.63 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1jfd h ALA 161 CO 0.05 0.01 0.55 0.87 0.00 0.00 0.00 179.25 180.73 1jfd h LYS 162 N -0.22 1.15 -0.37 0.00 1.57 -0.88 -2.01 116.57 115.80 1jfd h LYS 162 Ca 0.01 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1jfd h LYS 162 Cb 0.70 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1jfd h LYS 162 CO 0.03 0.77 0.17 0.00 -0.57 0.00 0.00 179.45 179.86 1jfd h ALA 163 N 1.30 0.45 -0.70 3.86 0.00 -1.22 -1.19 119.26 121.76 1jfd h ALA 163 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1jfd h ALA 163 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1jfd h ALA 163 CO -0.06 -0.20 0.38 1.49 0.00 0.00 0.00 179.25 180.86 1jfd h GLU 164 N 0.36 0.97 -0.12 0.00 4.57 -0.92 -0.40 114.58 119.04 1jfd h GLU 164 Ca 0.16 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1jfd h GLU 164 Cb 0.09 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1jfd h GLU 164 CO -0.12 0.72 -0.02 0.82 -1.18 0.00 0.00 179.01 179.22 1jfd h ILE 165 N 0.98 1.28 -0.39 2.32 2.04 -0.72 -0.39 117.51 122.63 1jfd h ILE 165 Ca 0.25 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1jfd h ILE 165 Cb 0.03 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1jfd h ILE 165 CO -0.04 0.27 0.21 0.58 0.00 0.00 0.00 178.15 179.17 1jfd h VAL 166 N -0.08 1.15 -0.50 1.67 2.07 -1.07 0.15 116.25 119.63 1jfd h VAL 166 Ca 0.03 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1jfd h VAL 166 Cb 0.42 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1jfd h VAL 166 CO 0.01 0.15 0.20 0.00 0.02 0.00 0.00 177.57 177.95 1jfd h ALA 167 N 1.07 0.65 0.00 1.67 0.00 -1.03 -1.89 119.26 119.73 1jfd h ALA 167 Ca 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jfd h ALA 167 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jfd h ALA 167 CO -0.02 0.26 -0.34 0.77 0.00 0.00 0.00 179.25 179.91 1jfd h SER 168 N 0.67 0.00 -0.08 0.00 0.02 -0.85 -1.66 113.55 111.64 1jfd h SER 168 Ca 0.17 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1jfd h SER 168 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1jfd h SER 168 CO -0.01 0.34 -0.16 0.15 -1.14 0.00 0.00 176.83 176.01 1jfd h PHE 169 N 0.00 0.32 -0.28 3.45 3.57 -0.46 0.95 116.94 124.49 1jfd h PHE 169 Ca -0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1jfd h PHE 169 Cb 0.99 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1jfd h PHE 169 CO 0.00 0.76 0.18 0.93 -2.23 0.00 0.00 178.31 177.95 1jfd h GLU 170 N -0.21 0.37 -0.06 1.11 4.39 -1.31 -2.34 114.58 116.54 1jfd h GLU 170 Ca 0.00 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1jfd h GLU 170 Cb 0.74 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1jfd h GLU 170 CO 0.04 0.26 0.05 -0.09 -1.16 0.00 0.00 179.01 178.10 1jfd h ARG 171 N 0.38 0.00 0.00 2.33 2.43 -1.32 -0.27 114.38 117.93 1jfd h ARG 171 Ca 0.10 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1jfd h ARG 171 Cb -0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1jfd h ARG 171 CO -0.02 0.00 -0.30 0.00 -1.51 0.00 0.00 179.97 178.14 1jfd h ALA 172 N 1.96 1.08 0.07 2.80 0.00 -0.98 -1.94 119.26 122.25 1jfd h ALA 172 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1jfd h ALA 172 Cb 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jfd h ALA 172 CO -0.00 0.38 -0.45 0.87 0.00 0.00 0.00 179.25 180.05 1jfd h LYS 173 N 0.00 0.19 0.27 0.00 1.57 -1.02 -3.41 116.57 114.16 1jfd h LYS 173 Ca -0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1jfd h LYS 173 Cb 0.75 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1jfd h LYS 173 CO 0.04 1.11 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.99 1jfd h ASN 174 N -0.59 -0.30 -0.00 0.86 4.21 -1.40 -3.52 115.58 114.83 1jfd h ASN 174 Ca -0.07 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1jfd h ASN 174 Cb 1.32 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.60 1jfd h ASN 174 CO 0.08 -0.03 0.00 2.29 -1.29 0.00 0.00 177.43 178.48