#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 -1.57 1.04 3.38 -1.94 -1.31 115.31 114.92 1jfd h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jfd h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jfd h LEU 2 CO 0.00 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.45 1jfd h LEU 3 N 0.00 0.00 -2.09 1.67 3.38 -1.94 -3.05 115.31 113.28 1jfd h LEU 3 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jfd h LEU 3 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jfd h LEU 3 CO -0.00 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.13 1jfd n ASN 4 N -3.10 3.07 -4.75 -0.43 4.13 -0.49 -4.94 115.26 108.75 1jfd n ASN 4 Ca 0.00 -1.97 -0.40 0.00 1.68 0.00 0.00 54.58 53.90 1jfd n ASN 4 Cb 0.29 -0.33 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 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 -1.34 4.01 0.78 2.41 1.01 -1.15 -4.99 120.40 121.13 1jfd s VAL 5 Ca 0.39 1.96 -0.11 0.00 0.00 0.00 0.00 61.98 64.22 1jfd s VAL 5 Cb 0.21 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1jfd s VAL 5 CO 0.28 0.44 1.09 -2.84 0.00 0.00 0.00 175.10 174.07 1jfd s PRO 6 N -1.03 2.22 0.35 2.72 0.02 -1.26 -4.76 135.00 133.26 1jfd s PRO 6 Ca 0.43 1.04 0.15 0.00 0.02 0.00 0.00 61.00 62.64 1jfd s PRO 6 Cb -0.27 -1.90 0.62 0.00 0.02 0.00 0.00 34.50 32.97 1jfd s PRO 6 CO 0.33 -1.63 1.73 0.00 -0.33 0.00 0.00 177.00 177.10 1jfd h ALA 7 N -1.11 1.08 0.00 -1.55 0.00 -1.89 -3.41 119.26 112.38 1jfd h ALA 7 Ca -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1jfd h ALA 7 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jfd h ALA 7 CO 0.53 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1jfd n GLY 8 N 0.05 1.41 0.12 0.00 0.00 -1.26 -1.25 105.19 104.25 1jfd n GLY 8 Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -1.01 1.61 1.57 -1.79 -3.41 116.57 113.54 1jfd h LYS 9 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1jfd h LYS 9 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.14 1jfd h LYS 9 CO 0.00 0.69 -0.52 -3.47 -0.57 0.00 0.00 179.45 175.57 1jfd n ASP 10 N -3.39 -3.25 -4.77 0.86 2.03 -0.80 -5.02 116.55 102.21 1jfd n ASP 10 Ca 0.01 -2.92 -0.40 0.00 0.52 0.00 0.00 54.79 52.00 1jfd n ASP 10 Cb 0.76 1.62 0.01 0.00 -0.72 0.00 0.00 41.12 42.80 1jfd n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jfd s LEU 11 N 0.70 4.19 0.00 -2.67 1.02 -1.22 -0.62 118.68 120.08 1jfd s LEU 11 Ca 0.30 2.99 0.23 0.00 0.02 0.00 0.00 54.13 57.68 1jfd s LEU 11 Cb 0.02 -3.82 0.65 0.00 0.02 0.00 0.00 46.19 43.05 1jfd s LEU 11 CO -0.07 -1.07 1.54 -0.81 0.02 0.00 0.00 176.35 175.96 1jfd n PRO 12 N 0.06 2.72 0.08 1.29 -0.04 -1.26 -4.86 135.00 132.99 1jfd n PRO 12 Ca 0.03 -2.67 -0.11 0.00 -0.04 0.00 0.00 63.50 60.72 1jfd n PRO 12 Cb 0.41 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.13 -3.91 0.54 4.39 -1.77 -3.41 114.58 114.89 1jfd h GLU 13 Ca 0.00 -0.22 -0.57 0.00 0.34 0.00 0.00 59.36 58.91 1jfd h GLU 13 Cb 1.00 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 29.33 1jfd h GLU 13 CO 0.00 1.10 -0.77 0.34 -1.16 0.00 0.00 179.01 178.52 1jfd s ASP 14 N -6.91 3.56 0.27 1.42 -1.08 0.21 -4.39 116.67 109.74 1jfd s ASP 14 Ca -0.01 -1.16 0.06 0.00 -0.52 0.00 0.00 52.55 50.92 1jfd s ASP 14 Cb 0.09 -0.91 -0.06 0.00 -1.46 0.00 0.00 42.92 40.58 1jfd s ASP 14 CO 0.85 -0.30 -0.04 0.27 0.52 0.00 0.00 175.17 176.47 1jfd s ILE 15 N 1.60 1.50 -0.13 4.11 -4.36 -0.81 -1.91 121.20 121.20 1jfd s ILE 15 Ca -0.01 -2.10 -0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1jfd s ILE 15 Cb -0.18 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 1jfd s ILE 15 CO -0.10 -0.30 -0.12 -0.31 0.24 0.00 0.00 174.94 174.35 1jfd s TYR 16 N -3.11 2.84 -0.18 1.37 2.02 -0.38 -0.23 117.35 119.68 1jfd s TYR 16 Ca 0.29 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 1jfd s TYR 16 Cb 0.04 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1jfd s TYR 16 CO 0.11 -0.17 -0.07 0.08 -1.57 0.00 0.00 175.55 173.93 1jfd s VAL 17 N 0.30 3.36 -0.26 0.71 1.01 0.17 -4.42 120.40 121.28 1jfd s VAL 17 Ca -0.09 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1jfd s VAL 17 Cb -0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1jfd s VAL 17 CO 0.05 0.47 0.68 -0.69 0.00 0.00 0.00 175.10 175.61 1jfd s VAL 18 N 0.89 4.94 -0.05 2.92 1.01 0.00 -1.22 120.40 128.89 1jfd s VAL 18 Ca -0.02 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 1jfd s VAL 18 Cb -0.15 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1jfd s VAL 18 CO 0.01 -0.02 0.89 -0.63 0.00 0.00 0.00 175.10 175.34 1jfd s ILE 19 N 2.61 4.91 -0.12 2.22 -1.09 -0.13 -1.56 121.20 128.04 1jfd s ILE 19 Ca 0.28 1.84 0.04 0.00 -2.23 0.00 0.00 60.65 60.58 1jfd s ILE 19 Cb -0.15 -4.22 -0.11 0.00 -1.58 0.00 0.00 42.46 36.40 1jfd s ILE 19 CO 0.09 0.16 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.28 1jfd n GLU 20 N 4.10 1.11 -4.18 2.79 1.02 0.48 0.63 120.64 126.59 1jfd n GLU 20 Ca 0.04 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1jfd n GLU 20 Cb 0.51 -1.27 -0.17 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.83 0.66 -3.67 1.01 -0.59 -4.48 121.20 112.70 1jfd s ILE 21 Ca -0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1jfd s ILE 21 Cb 0.04 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1jfd s ILE 21 CO 0.36 0.31 1.05 -2.84 0.00 0.00 0.00 174.94 173.82 1jfd s PRO 22 N 1.18 3.22 0.52 2.79 0.02 -1.26 0.38 135.00 141.85 1jfd s PRO 22 Ca -0.06 0.79 -0.20 0.00 0.02 0.00 0.00 61.00 61.55 1jfd s PRO 22 Cb -0.14 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 1jfd s PRO 22 CO -0.02 -0.85 1.14 0.00 -0.33 0.00 0.00 177.00 176.94 1jfd s ALA 23 N -3.15 2.76 -1.50 -1.55 0.00 -1.26 -3.69 121.76 113.37 1jfd s ALA 23 Ca 0.57 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.28 1jfd s ALA 23 Cb -0.12 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1jfd s ALA 23 CO 0.54 -0.75 0.83 -1.71 0.00 0.00 0.00 175.76 174.67 1jfd n ASN 24 N -1.10 -3.30 -4.89 0.00 5.15 -0.70 -4.75 115.26 105.67 1jfd n ASN 24 Ca 0.11 -0.85 -0.21 0.00 -0.60 0.00 0.00 54.58 53.02 1jfd n ASN 24 Cb 0.50 -3.63 -0.02 0.00 -0.53 0.00 0.00 39.78 36.10 1jfd n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jfd s ALA 25 N -3.45 4.14 0.70 5.20 0.00 -1.24 -5.04 121.76 122.07 1jfd s ALA 25 Ca 0.47 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 1jfd s ALA 25 Cb -0.24 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.89 1jfd s ALA 25 CO 0.85 -0.28 1.25 -0.51 0.00 0.00 0.00 175.76 177.07 1jfd s ASP 26 N -4.18 4.27 -0.82 0.00 1.01 -1.26 -4.75 116.67 110.94 1jfd s ASP 26 Ca 0.47 2.50 -0.05 0.00 0.71 0.00 0.00 52.55 56.18 1jfd s ASP 26 Cb -0.03 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1jfd s ASP 26 CO 0.28 -2.22 1.99 -0.81 0.21 0.00 0.00 175.17 174.62 1jfd n PRO 27 N -2.42 1.86 -4.22 8.23 -0.04 -1.26 -4.81 135.00 132.35 1jfd n PRO 27 Ca 0.15 -1.37 -0.34 0.00 -0.04 0.00 0.00 63.50 61.90 1jfd n PRO 27 Cb 0.49 -2.41 -0.15 0.00 -0.04 0.00 0.00 33.50 31.39 1jfd n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jfd s ILE 28 N 3.60 2.85 -0.55 0.52 1.01 -1.26 -1.23 121.20 126.13 1jfd s ILE 28 Ca 0.36 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1jfd s ILE 28 Cb 0.09 -2.24 0.08 0.00 0.01 0.00 0.00 42.46 40.40 1jfd s ILE 28 CO -0.03 0.49 0.69 -0.75 0.00 0.00 0.00 174.94 175.34 1jfd s LYS 29 N 1.13 3.09 0.36 2.79 2.36 0.23 -4.96 119.74 124.74 1jfd s LYS 29 Ca 0.01 -1.06 -0.01 0.00 -2.55 0.00 0.00 55.97 52.35 1jfd s LYS 29 Cb -0.14 -4.18 -0.04 0.00 -1.05 0.00 0.00 37.83 32.42 1jfd s LYS 29 CO -0.04 -1.41 0.59 0.71 1.55 0.00 0.00 175.35 176.76 1jfd s TYR 30 N 2.77 3.51 -0.14 4.03 2.02 -1.26 0.34 117.35 128.62 1jfd s TYR 30 Ca 0.14 0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 57.20 1jfd s TYR 30 Cb -0.21 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1jfd s TYR 30 CO 0.09 0.06 0.37 -2.00 -1.57 0.00 0.00 175.55 172.51 1jfd s GLU 31 N -4.26 0.43 -0.23 -0.62 2.12 0.48 -4.71 118.70 111.91 1jfd s GLU 31 Ca 0.42 0.54 -0.27 0.00 0.36 0.00 0.00 54.97 56.02 1jfd s GLU 31 Cb -0.10 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1jfd s GLU 31 CO 0.37 -0.06 0.96 0.42 -0.54 0.00 0.00 175.26 176.40 1jfd s ILE 32 N 0.33 4.74 -0.04 -3.70 -1.09 -1.26 -0.40 121.20 119.79 1jfd s ILE 32 Ca -0.01 1.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.97 1jfd s ILE 32 Cb -0.03 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.55 1jfd s ILE 32 CO -0.01 -0.14 1.64 -0.62 -1.23 0.00 0.00 174.94 174.58 1jfd s ASP 33 N 1.25 6.68 0.38 3.58 2.15 0.19 -4.90 116.67 125.99 1jfd s ASP 33 Ca 0.41 2.25 0.28 0.00 0.43 0.00 0.00 52.55 55.91 1jfd s ASP 33 Cb -0.15 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.11 1jfd s ASP 33 CO 0.07 -0.91 1.83 0.11 -0.17 0.00 0.00 175.17 176.10 1jfd h LYS 34 N 9.30 0.00 0.09 4.34 1.79 -1.94 0.56 116.57 130.72 1jfd h LYS 34 Ca -0.39 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.82 1jfd h LYS 34 Cb 1.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1jfd h LYS 34 CO 0.95 0.00 -1.33 0.93 -1.08 0.00 0.00 179.45 178.92 1jfd h GLU 35 N 0.00 0.20 0.00 3.15 4.39 -1.97 -3.40 114.58 116.94 1jfd h GLU 35 Ca 0.00 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1jfd h GLU 35 Cb 0.38 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1jfd h GLU 35 CO 0.00 1.16 -2.03 -1.13 -1.16 0.00 0.00 179.01 175.85 1jfd n SER 36 N -4.01 0.05 0.00 1.42 3.41 -1.18 -4.98 113.62 108.33 1jfd n SER 36 Ca -0.25 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1jfd n SER 36 Cb 0.85 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 66.48 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 1.37 0.56 3.91 5.00 0.00 0.19 -4.98 105.19 111.24 1jfd n GLY 37 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.21 3.55 -0.38 4.61 0.00 -1.25 -4.61 121.76 121.47 1jfd s ALA 38 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.14 1jfd s ALA 38 Cb 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1jfd s ALA 38 CO 0.00 0.05 0.97 -1.17 0.00 0.00 0.00 175.76 175.61 1jfd s LEU 39 N -3.95 3.95 0.04 0.00 2.96 -1.26 -0.64 118.68 119.77 1jfd s LEU 39 Ca 0.45 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1jfd s LEU 39 Cb -0.10 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1jfd s LEU 39 CO 0.34 -0.92 0.06 -0.36 -1.32 0.00 0.00 176.35 174.15 1jfd s PHE 40 N 3.63 3.19 -0.40 5.38 0.40 0.47 -4.94 117.98 125.72 1jfd s PHE 40 Ca 0.40 0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 56.59 1jfd s PHE 40 Cb -0.11 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.77 1jfd s PHE 40 CO 0.20 0.52 0.93 0.08 0.70 0.00 0.00 175.22 177.65 1jfd s VAL 41 N -1.27 4.55 -0.08 -0.44 1.01 -1.26 -0.39 120.40 122.52 1jfd s VAL 41 Ca 0.25 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.09 1jfd s VAL 41 Cb -0.12 -4.37 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 1jfd s VAL 41 CO 0.17 -0.63 0.76 -0.78 0.00 0.00 0.00 175.10 174.62 1jfd h ASP 42 N 8.66 -0.08 -5.17 3.32 3.58 -0.41 -3.48 116.42 122.84 1jfd h ASP 42 Ca -0.23 -0.52 0.21 0.00 0.42 0.00 0.00 57.03 56.90 1jfd h ASP 42 Cb 1.08 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 42.03 1jfd h ASP 42 CO 1.00 0.60 0.61 0.00 -2.88 0.00 0.00 179.24 178.56 1jfd s ARG 43 N -2.88 0.82 -0.30 0.28 1.70 -1.04 -5.02 118.95 112.52 1jfd s ARG 43 Ca -0.13 -0.42 -0.12 0.00 -0.47 0.00 0.00 55.73 54.59 1jfd s ARG 43 Cb -0.01 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1jfd s ARG 43 CO 0.50 -0.37 0.21 -0.06 -1.08 0.00 0.00 175.30 174.50 1jfd s PHE 44 N -2.94 3.22 0.46 5.89 0.08 -1.26 -0.60 117.98 122.83 1jfd s PHE 44 Ca 0.11 0.01 -0.25 0.00 0.12 0.00 0.00 56.93 56.92 1jfd s PHE 44 Cb 0.00 -2.42 -0.08 0.00 -0.57 0.00 0.00 43.02 39.95 1jfd s PHE 44 CO -0.02 -0.23 1.40 -1.33 -0.10 0.00 0.00 175.22 174.93 1jfd n MET 45 N 5.08 2.12 0.07 0.44 2.81 -0.37 -4.95 117.12 122.33 1jfd n MET 45 Ca -0.13 0.76 0.07 0.00 -1.81 0.00 0.00 57.70 56.58 1jfd n MET 45 Cb 0.51 -2.59 -0.04 0.00 -0.71 0.00 0.00 33.22 30.39 1jfd n MET 45 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1jfd n SER 46 N -0.28 0.83 -4.90 7.83 7.64 -1.26 -4.91 113.62 118.56 1jfd n SER 46 Ca 0.06 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 60.00 1jfd n SER 46 Cb 0.42 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.95 1jfd n SER 46 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jfd s THR 47 N -3.18 5.00 -1.40 0.44 -4.23 -1.26 -4.97 115.64 106.04 1jfd s THR 47 Ca -0.02 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 1jfd s THR 47 Cb 0.09 -3.74 0.08 0.00 1.34 0.00 0.00 72.50 70.27 1jfd s THR 47 CO 0.80 -0.35 2.26 0.00 -0.54 0.00 0.00 174.62 176.79 1jfd n ALA 48 N -1.00 6.07 -2.23 3.99 0.00 -1.26 -4.89 120.51 121.18 1jfd n ALA 48 Ca -0.01 -4.02 -0.12 0.00 0.00 0.00 0.00 53.44 49.29 1jfd n ALA 48 Cb 0.54 -3.17 -0.10 0.00 0.00 0.00 0.00 19.45 16.72 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 1.19 0.89 0.09 0.00 -1.94 -1.26 -5.17 119.30 113.11 1jfd s MET 49 Ca 0.50 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1jfd s MET 49 Cb 0.14 -0.35 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 1jfd s MET 49 CO -0.05 0.02 -0.11 -0.59 -0.01 0.00 0.00 175.02 174.28 1jfd s PHE 50 N -3.41 1.09 0.06 -0.03 -0.12 -1.26 -4.64 117.98 109.67 1jfd s PHE 50 Ca 0.12 -0.60 -0.31 0.00 -0.05 0.00 0.00 56.93 56.10 1jfd s PHE 50 Cb 0.04 -0.60 -0.07 0.00 -0.63 0.00 0.00 43.02 41.76 1jfd s PHE 50 CO -0.03 0.02 1.54 0.71 -0.05 0.00 0.00 175.22 177.40 1jfd s TYR 51 N -2.14 2.70 -0.51 3.49 1.51 -1.26 -4.87 117.35 116.28 1jfd s TYR 51 Ca 0.03 0.58 0.23 0.00 -1.01 0.00 0.00 57.07 56.90 1jfd s TYR 51 Cb -0.05 -3.83 0.96 0.00 -0.11 0.00 0.00 41.96 38.93 1jfd s TYR 51 CO 0.01 -3.21 1.69 -2.30 -1.11 0.00 0.00 175.55 170.63 1jfd n PRO 52 N 5.21 0.18 -4.10 -1.71 -0.02 -1.26 -1.72 135.00 131.59 1jfd n PRO 52 Ca 0.14 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 1jfd n PRO 52 Cb 0.42 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 31.96 1jfd n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfd s ASN 54 N -3.05 6.18 -0.03 0.00 0.01 -0.87 -3.98 114.94 113.21 1jfd s ASN 54 Ca 0.25 2.44 0.06 0.00 -0.71 0.00 0.00 52.86 54.90 1jfd s ASN 54 Cb 0.06 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1jfd s ASN 54 CO 0.04 -0.92 -0.21 -0.47 -1.51 0.00 0.00 177.10 174.03 1jfd s TYR 55 N -1.43 1.95 0.00 2.20 5.04 0.16 -0.29 117.35 124.98 1jfd s TYR 55 Ca 0.61 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1jfd s TYR 55 Cb -0.32 -1.27 0.00 0.00 0.35 0.00 0.00 41.96 40.72 1jfd s TYR 55 CO 0.40 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.92 1jfd n GLY 56 N 2.77 2.64 3.52 8.97 0.00 0.04 -0.39 105.19 122.73 1jfd n GLY 56 Ca -0.16 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.24 0.47 -0.22 1.61 1.13 -0.60 -0.45 117.35 118.05 1jfd s TYR 57 Ca 0.00 -0.81 -0.09 0.00 -1.41 0.00 0.00 57.07 54.76 1jfd s TYR 57 Cb 0.00 0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 1jfd s TYR 57 CO 0.00 -0.92 0.10 0.42 -2.51 0.00 0.00 175.55 172.64 1jfd s ILE 58 N -4.03 4.91 0.66 -3.49 1.01 -0.34 -0.82 121.20 119.10 1jfd s ILE 58 Ca 0.24 0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.76 1jfd s ILE 58 Cb 0.01 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1jfd s ILE 58 CO 0.09 0.39 1.12 0.21 0.00 0.00 0.00 174.94 176.75 1jfd s ASN 59 N 0.87 5.06 -1.33 3.58 2.47 -1.26 -3.60 114.94 120.73 1jfd s ASN 59 Ca 0.05 2.04 -0.01 0.00 0.42 0.00 0.00 52.86 55.36 1jfd s ASN 59 Cb -0.13 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1jfd s ASN 59 CO 0.03 -1.66 0.18 1.41 -3.72 0.00 0.00 177.10 173.33 1jfd n HIS 60 N -2.39 -1.06 -4.24 0.43 8.25 -1.26 -4.07 115.22 110.89 1jfd n HIS 60 Ca 0.11 0.15 -0.17 0.00 -0.26 0.00 0.00 57.72 57.55 1jfd n HIS 60 Cb 0.52 -3.48 -0.11 0.00 1.12 0.00 0.00 29.99 28.04 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 -2.90 1.28 -0.19 1.59 -4.23 -1.24 -4.57 115.64 105.38 1jfd s THR 61 Ca 0.09 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1jfd s THR 61 Cb -0.04 -1.53 0.08 0.00 1.34 0.00 0.00 72.50 72.35 1jfd s THR 61 CO 0.11 -0.45 0.15 -0.22 -0.54 0.00 0.00 174.62 173.67 1jfd s LEU 62 N -2.49 0.14 0.00 4.79 2.96 -0.54 -3.90 118.68 119.65 1jfd s LEU 62 Ca 0.09 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 1jfd s LEU 62 Cb -0.04 0.04 0.20 0.00 0.50 0.00 0.00 46.19 46.89 1jfd s LEU 62 CO 0.03 -0.34 1.25 -1.54 -1.32 0.00 0.00 176.35 174.42 1jfd n SER 63 N 5.30 0.50 0.19 3.68 3.41 0.11 -4.49 113.62 122.32 1jfd n SER 63 Ca -0.06 -1.70 0.06 0.00 -0.26 0.00 0.00 58.87 56.90 1jfd n SER 63 Cb 0.49 -0.92 0.53 0.00 -0.26 0.00 0.00 64.21 64.05 1jfd n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jfd h LEU 64 N 0.00 0.11 0.00 1.04 -0.00 -1.99 -2.50 115.31 111.97 1jfd h LEU 64 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1jfd h LEU 64 Cb 1.22 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1jfd h LEU 64 CO 0.33 0.17 0.00 -0.90 -0.00 0.00 0.00 178.44 178.03 1jfd n ASP 65 N -4.43 0.00 0.00 -0.43 5.75 -1.26 -4.85 116.55 111.34 1jfd n ASP 65 Ca -0.02 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 1jfd n ASP 65 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.38 1.08 3.70 6.12 0.00 -0.94 -5.06 105.19 110.47 1jfd n GLY 66 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.75 4.52 0.85 1.61 1.01 -1.26 -4.80 116.67 115.84 1jfd s ASP 67 Ca 0.00 -0.84 -0.11 0.00 0.71 0.00 0.00 52.55 52.30 1jfd s ASP 67 Cb 0.00 -0.67 0.11 0.00 1.01 0.00 0.00 42.92 43.37 1jfd s ASP 67 CO 0.00 -0.28 1.16 -2.84 0.21 0.00 0.00 175.17 173.42 1jfd s PRO 68 N -3.80 1.48 0.09 8.23 0.02 -1.25 0.04 135.00 139.80 1jfd s PRO 68 Ca 0.37 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 1jfd s PRO 68 Cb -0.02 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 1jfd s PRO 68 CO 0.22 -2.29 1.74 0.08 -0.33 0.00 0.00 177.00 176.42 1jfd s VAL 69 N -2.52 2.81 0.13 3.83 1.01 -1.26 -4.66 120.40 119.74 1jfd s VAL 69 Ca 0.68 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 1jfd s VAL 69 Cb -0.24 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1jfd s VAL 69 CO 0.54 -0.00 0.38 1.51 0.00 0.00 0.00 175.10 177.54 1jfd s ASP 70 N 2.61 6.51 0.02 3.32 1.47 -1.26 -1.20 116.67 128.14 1jfd s ASP 70 Ca 0.78 0.63 -0.02 0.00 1.18 0.00 0.00 52.55 55.12 1jfd s ASP 70 Cb -0.43 -2.11 -0.02 0.00 -0.34 0.00 0.00 42.92 40.03 1jfd s ASP 70 CO 0.34 0.07 0.00 -0.69 0.68 0.00 0.00 175.17 175.58 1jfd s VAL 71 N -1.62 0.12 -0.12 2.11 1.01 0.40 -2.30 120.40 120.01 1jfd s VAL 71 Ca 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1jfd s VAL 71 Cb -0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1jfd s VAL 71 CO 0.23 -0.55 -0.12 -0.76 0.00 0.00 0.00 175.10 173.90 1jfd s LEU 72 N -1.68 2.80 -0.23 3.92 1.43 -0.39 -0.78 118.68 123.74 1jfd s LEU 72 Ca -0.12 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1jfd s LEU 72 Cb -0.07 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.59 1jfd s LEU 72 CO -0.02 0.20 -0.01 -0.69 0.23 0.00 0.00 176.35 176.06 1jfd s VAL 73 N 0.14 1.20 0.23 -1.59 1.01 0.60 -1.60 120.40 120.38 1jfd s VAL 73 Ca -0.06 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1jfd s VAL 73 Cb -0.15 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 1jfd s VAL 73 CO 0.04 -0.20 1.02 -2.16 0.00 0.00 0.00 175.10 173.80 1jfd s PRO 74 N 1.54 4.73 0.05 2.72 0.04 -1.25 -2.05 135.00 140.77 1jfd s PRO 74 Ca -0.02 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1jfd s PRO 74 Cb -0.18 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1jfd s PRO 74 CO -0.08 0.33 -0.02 0.95 0.04 0.00 0.00 177.00 178.22 1jfd s THR 75 N -0.92 0.20 0.21 1.26 -4.23 -1.26 -4.42 115.64 106.49 1jfd s THR 75 Ca 0.44 -1.65 0.31 0.00 -1.18 0.00 0.00 61.69 59.61 1jfd s THR 75 Cb -0.28 -1.35 0.34 0.00 1.34 0.00 0.00 72.50 72.55 1jfd s THR 75 CO 0.35 -0.91 2.00 1.55 -0.54 0.00 0.00 174.62 177.06 1jfd h PRO 76 N 3.32 0.00 -4.47 3.99 0.13 -2.04 -3.43 132.00 129.50 1jfd h PRO 76 Ca -0.34 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.47 1jfd h PRO 76 Cb 1.15 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.02 1jfd h PRO 76 CO 0.62 0.08 -0.75 0.71 -0.23 0.00 0.00 178.00 178.43 1jfd s TYR 77 N -3.79 0.60 0.47 1.56 2.02 -1.26 -5.13 117.35 111.81 1jfd s TYR 77 Ca -0.00 -0.24 -0.25 0.00 -0.37 0.00 0.00 57.07 56.21 1jfd s TYR 77 Cb 0.10 -0.37 -0.08 0.00 -0.40 0.00 0.00 41.96 41.22 1jfd s TYR 77 CO 0.56 -0.03 1.42 -2.30 -1.57 0.00 0.00 175.55 173.63 1jfd n PRO 78 N 2.39 2.14 -2.72 -1.71 -0.02 -1.26 -4.99 135.00 128.83 1jfd n PRO 78 Ca -0.16 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 1jfd n PRO 78 Cb 0.57 -2.62 0.03 0.00 -0.02 0.00 0.00 33.50 31.46 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 -2.82 3.36 0.17 2.45 1.43 -1.26 -4.98 118.68 117.04 1jfd s LEU 79 Ca 0.63 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 1jfd s LEU 79 Cb -0.44 -2.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 1jfd s LEU 79 CO 0.56 -1.05 0.84 -1.10 0.23 0.00 0.00 176.35 175.83 1jfd s GLN 80 N -4.69 4.66 0.32 1.70 -1.52 -1.26 -4.51 119.66 114.36 1jfd s GLN 80 Ca 0.56 1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 54.95 1jfd s GLN 80 Cb -0.10 -3.28 -0.11 0.00 -0.22 0.00 0.00 33.01 29.30 1jfd s GLN 80 CO 0.38 0.51 1.47 -2.14 -0.25 0.00 0.00 175.29 175.25 1jfd s PRO 81 N -0.98 4.19 0.00 2.91 0.02 -1.26 -1.52 135.00 138.35 1jfd s PRO 81 Ca 0.38 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1jfd s PRO 81 Cb -0.24 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1jfd s PRO 81 CO 0.28 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 1jfd n GLY 82 N 1.26 0.77 3.95 0.52 0.00 0.20 -4.99 105.19 106.89 1jfd n GLY 82 Ca 0.04 0.00 -0.23 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 -2.64 5.64 -0.07 1.61 1.04 -0.58 -4.84 113.70 113.85 1jfd s SER 83 Ca 0.00 0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.79 1jfd s SER 83 Cb 0.00 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.70 1jfd s SER 83 CO 0.00 -0.89 -0.20 -0.69 0.98 0.00 0.00 173.24 172.43 1jfd s VAL 84 N -2.71 1.75 -0.04 5.02 1.01 -1.26 -0.96 120.40 123.21 1jfd s VAL 84 Ca 0.52 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1jfd s VAL 84 Cb -0.10 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1jfd s VAL 84 CO 0.40 0.49 -0.15 -0.51 0.00 0.00 0.00 175.10 175.32 1jfd s ILE 85 N 0.26 1.29 -0.15 2.22 2.07 -0.36 -4.92 121.20 121.62 1jfd s ILE 85 Ca -0.12 -0.63 -0.29 0.00 -1.41 0.00 0.00 60.65 58.19 1jfd s ILE 85 Cb -0.16 -1.12 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 1jfd s ILE 85 CO 0.06 0.38 1.07 -0.60 -1.91 0.00 0.00 174.94 173.93 1jfd s ARG 86 N 0.14 4.34 0.36 3.50 3.52 -1.26 -0.65 118.95 128.90 1jfd s ARG 86 Ca -0.05 1.44 0.03 0.00 -0.13 0.00 0.00 55.73 57.02 1jfd s ARG 86 Cb -0.12 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 1jfd s ARG 86 CO 0.02 -0.47 0.12 0.00 -0.81 0.00 0.00 175.30 174.15 1jfd s ARG 88 N -3.38 -0.01 0.36 0.00 3.52 -0.14 -1.92 118.95 117.38 1jfd s ARG 88 Ca 0.16 0.27 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 1jfd s ARG 88 Cb 0.01 -0.90 -0.10 0.00 -1.56 0.00 0.00 34.95 32.40 1jfd s ARG 88 CO 0.12 -0.44 1.32 -1.25 -0.81 0.00 0.00 175.30 174.23 1jfd s PRO 89 N 2.19 4.21 0.00 5.12 0.04 -1.26 -1.23 135.00 144.07 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 -0.13 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1jfd s PRO 89 CO -0.06 -0.31 0.07 1.33 0.04 0.00 0.00 177.00 178.08 1jfd n VAL 90 N 0.55 0.00 0.00 -0.36 0.24 -0.28 -4.89 118.33 113.60 1jfd n VAL 90 Ca 0.01 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1jfd n VAL 90 Cb 0.42 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 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 0.21 -0.53 3.16 7.63 0.00 -1.12 -1.13 105.19 113.41 1jfd n GLY 91 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 -0.00 -0.29 1.61 0.11 -0.83 -1.30 120.40 117.70 1jfd s VAL 92 Ca 0.00 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1jfd s VAL 92 Cb 0.00 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1jfd s VAL 92 CO 0.00 0.01 0.17 -0.22 -3.33 0.00 0.00 175.10 171.73 1jfd s LEU 93 N 0.27 4.00 -0.11 2.54 2.96 0.75 -0.83 118.68 128.25 1jfd s LEU 93 Ca -0.01 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.61 1jfd s LEU 93 Cb -0.03 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1jfd s LEU 93 CO -0.01 -0.09 0.29 -0.54 -1.32 0.00 0.00 176.35 174.68 1jfd s LYS 94 N 1.71 3.99 0.32 1.98 -0.14 -0.18 -0.71 119.74 126.72 1jfd s LYS 94 Ca 0.06 0.13 0.03 0.00 -1.36 0.00 0.00 55.97 54.84 1jfd s LYS 94 Cb -0.16 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.65 1jfd s LYS 94 CO 0.09 0.47 0.32 -1.64 -0.76 0.00 0.00 175.35 173.84 1jfd s MET 95 N -0.26 1.73 -0.20 1.68 -1.94 0.89 -0.15 119.30 121.05 1jfd s MET 95 Ca 0.18 -1.88 -0.05 0.00 -1.71 0.00 0.00 55.69 52.23 1jfd s MET 95 Cb -0.14 0.36 0.07 0.00 2.01 0.00 0.00 34.83 37.13 1jfd s MET 95 CO 0.06 -0.66 0.12 0.99 -0.01 0.00 0.00 175.02 175.52 1jfd s THR 96 N -3.43 -0.12 0.00 2.05 2.01 -0.10 -0.05 115.64 116.00 1jfd s THR 96 Ca 0.37 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1jfd s THR 96 Cb 0.02 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1jfd s THR 96 CO 0.23 -0.37 0.00 -0.90 -0.69 0.00 0.00 174.62 172.89 1jfd n ASP 97 N 5.28 0.00 -0.13 3.53 5.75 -0.03 -1.89 116.55 129.06 1jfd n ASP 97 Ca -0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.59 1jfd n ASP 97 Cb 0.48 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 1jfd n ASP 97 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1jfd h GLU 98 N 0.00 0.96 -0.18 0.11 9.09 -1.92 -3.25 114.58 119.38 1jfd h GLU 98 Ca 0.00 -0.48 -0.02 0.00 0.05 0.00 0.00 59.36 58.92 1jfd h GLU 98 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 1jfd h GLU 98 CO 0.00 1.14 0.05 0.00 0.05 0.00 0.00 179.01 180.25 1jfd h ALA 99 N 0.80 0.24 0.00 1.06 0.00 -1.95 -3.49 119.26 115.92 1jfd h ALA 99 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jfd h ALA 99 Cb 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jfd h ALA 99 CO 0.09 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1jfd n GLY 100 N -0.55 -0.48 3.77 0.00 0.00 -1.23 -5.11 105.19 101.58 1jfd n GLY 100 Ca -0.04 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1jfd n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jfd s GLU 101 N -2.00 4.37 0.05 1.61 2.12 -1.26 -0.85 118.70 122.74 1jfd s GLU 101 Ca 0.00 2.19 0.01 0.00 0.36 0.00 0.00 54.97 57.53 1jfd s GLU 101 Cb 0.00 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1jfd s GLU 101 CO 0.00 -0.18 -0.05 0.34 -0.54 0.00 0.00 175.26 174.83 1jfd s ASP 102 N -0.43 0.64 -0.03 -1.70 2.15 0.93 -4.87 116.67 113.36 1jfd s ASP 102 Ca 0.50 -0.75 -0.02 0.00 0.43 0.00 0.00 52.55 52.70 1jfd s ASP 102 Cb -0.39 0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.35 1jfd s ASP 102 CO 0.51 -0.39 0.07 0.00 -0.17 0.00 0.00 175.17 175.20 1jfd s ALA 103 N -2.54 -0.16 -0.14 3.66 0.00 -1.26 -0.08 121.76 121.24 1jfd s ALA 103 Ca -0.03 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 1jfd s ALA 103 Cb -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1jfd s ALA 103 CO -0.04 -0.05 -0.10 0.15 0.00 0.00 0.00 175.76 175.72 1jfd s LYS 104 N 0.24 1.86 0.70 0.00 1.02 0.12 -4.72 119.74 118.96 1jfd s LYS 104 Ca -0.02 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 1jfd s LYS 104 Cb -0.03 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1jfd s LYS 104 CO -0.01 -0.29 1.08 -0.51 -0.92 0.00 0.00 175.35 174.71 1jfd s LEU 105 N 1.59 2.93 -0.10 3.17 1.43 -0.97 -0.18 118.68 126.55 1jfd s LEU 105 Ca 0.04 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1jfd s LEU 105 Cb -0.13 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.07 1jfd s LEU 105 CO -0.09 -1.33 -0.09 -0.69 0.23 0.00 0.00 176.35 174.37 1jfd s VAL 106 N -3.30 1.06 0.07 -1.59 1.01 -0.42 -1.26 120.40 115.98 1jfd s VAL 106 Ca 0.58 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.28 1jfd s VAL 106 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1jfd s VAL 106 CO 0.53 0.36 -0.18 0.00 0.00 0.00 0.00 175.10 175.81 1jfd s ALA 107 N 1.39 1.56 0.15 5.51 0.00 -0.63 -1.13 121.76 128.61 1jfd s ALA 107 Ca -0.01 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1jfd s ALA 107 Cb -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1jfd s ALA 107 CO -0.05 0.31 -0.06 0.14 0.00 0.00 0.00 175.76 176.10 1jfd s VAL 108 N -1.05 3.45 0.38 0.00 -7.23 -0.37 -3.97 120.40 111.62 1jfd s VAL 108 Ca 0.04 -1.43 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 1jfd s VAL 108 Cb -0.09 -2.69 -0.12 0.00 0.56 0.00 0.00 36.38 34.04 1jfd s VAL 108 CO 0.03 -0.03 1.00 -2.65 -0.31 0.00 0.00 175.10 173.14 1jfd n PRO 109 N 0.22 1.36 -2.08 4.82 -0.02 -1.26 -0.97 135.00 137.07 1jfd n PRO 109 Ca -0.11 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 1jfd n PRO 109 Cb 0.54 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.22 2.46 0.60 6.00 2.46 -0.03 -4.67 115.29 120.90 1jfd s HIS 110 Ca 0.61 1.52 0.31 0.00 0.47 0.00 0.00 55.06 57.97 1jfd s HIS 110 Cb -0.60 -3.43 1.77 0.00 -0.13 0.00 0.00 32.58 30.19 1jfd s HIS 110 CO 0.58 -2.05 2.14 0.66 -2.47 0.00 0.00 174.74 173.60 1jfd h SER 111 N 0.97 0.00 1.23 9.88 4.64 -1.91 0.53 113.55 128.89 1jfd h SER 111 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1jfd h SER 111 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1jfd h SER 111 CO 0.56 0.00 0.00 0.50 -0.87 0.00 0.00 176.83 177.02 1jfd h LYS 112 N 0.00 0.00 0.04 4.77 3.11 -1.96 -3.21 116.57 119.32 1jfd h LYS 112 Ca 0.06 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.53 1jfd h LYS 112 Cb 0.36 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.54 1jfd h LYS 112 CO -0.00 0.00 -2.21 1.28 -2.81 0.00 0.00 179.45 175.71 1jfd n LEU 113 N -2.52 2.04 -3.50 5.20 4.32 0.15 -5.02 117.00 117.67 1jfd n LEU 113 Ca 0.03 0.07 -0.16 0.00 -0.02 0.00 0.00 56.01 55.93 1jfd n LEU 113 Cb 0.36 -0.57 -0.05 0.00 -1.62 0.00 0.00 43.42 41.54 1jfd n LEU 113 CO 0.27 0.76 0.45 -0.55 -1.22 0.00 0.00 177.39 177.09 1jfd s SER 114 N -6.43 -0.62 -0.00 -1.43 0.15 -1.01 -5.05 113.70 99.30 1jfd s SER 114 Ca -0.22 0.54 0.21 0.00 0.70 0.00 0.00 55.95 57.18 1jfd s SER 114 Cb 0.08 0.54 -0.24 0.00 -1.71 0.00 0.00 66.02 64.69 1jfd s SER 114 CO 0.73 -0.68 0.85 1.17 1.20 0.00 0.00 173.24 176.51 1jfd n LYS 115 N 0.61 0.09 0.00 5.44 3.00 -1.26 -3.88 118.16 122.16 1jfd n LYS 115 Ca -0.18 -0.03 0.08 0.00 -0.00 0.00 0.00 58.31 58.19 1jfd n LYS 115 Cb 0.59 -1.50 0.47 0.00 0.00 0.00 0.00 35.03 34.59 1jfd n LYS 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1jfd n GLU 116 N -1.60 0.45 -0.01 1.64 0.28 -1.26 -2.56 120.64 117.58 1jfd n GLU 116 Ca 0.03 0.03 0.01 0.00 -0.16 0.00 0.00 57.16 57.07 1jfd n GLU 116 Cb 0.36 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.74 1jfd n GLU 116 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1jfd n TYR 117 N -1.07 0.03 -0.32 -1.84 4.01 -1.26 -4.71 117.16 112.00 1jfd n TYR 117 Ca 0.11 -0.31 0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1jfd n TYR 117 Cb 0.07 -0.03 0.30 0.00 -0.31 0.00 0.00 39.34 39.37 1jfd n TYR 117 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1jfd h ASP 118 N 0.21 0.82 1.01 7.72 3.32 -1.78 -1.06 116.42 126.66 1jfd h ASP 118 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jfd h ASP 118 Cb 0.35 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1jfd h ASP 118 CO 0.00 0.44 0.00 1.12 -1.72 0.00 0.00 179.24 179.08 1jfd h HIS 119 N 0.88 0.00 -3.57 4.55 2.07 -1.84 -3.41 115.15 113.83 1jfd h HIS 119 Ca 0.47 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 57.37 1jfd h HIS 119 Cb 0.55 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 30.41 1jfd h HIS 119 CO -0.00 0.00 0.43 0.42 -3.07 0.00 0.00 177.93 175.71 1jfd s ILE 120 N -3.56 4.58 -0.04 6.12 1.01 -0.40 -4.82 121.20 124.08 1jfd s ILE 120 Ca 0.02 0.46 0.09 0.00 0.00 0.00 0.00 60.65 61.22 1jfd s ILE 120 Cb 0.09 -4.38 -0.13 0.00 0.01 0.00 0.00 42.46 38.05 1jfd s ILE 120 CO 0.52 -0.80 0.14 0.29 0.00 0.00 0.00 174.94 175.09 1jfd n LYS 121 N 6.91 1.17 -4.10 2.79 4.76 -1.26 -5.03 118.16 123.40 1jfd n LYS 121 Ca 0.03 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 1jfd n LYS 121 Cb 0.48 -1.23 -0.06 0.00 -1.84 0.00 0.00 35.03 32.38 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 -3.50 0.42 0.40 4.39 -1.08 -1.26 -4.78 116.67 111.26 1jfd s ASP 122 Ca -0.04 -1.29 0.14 0.00 -0.52 0.00 0.00 52.55 50.85 1jfd s ASP 122 Cb 0.05 0.56 1.00 0.00 -1.46 0.00 0.00 42.92 43.06 1jfd s ASP 122 CO 0.39 -1.11 1.87 -0.37 0.52 0.00 0.00 175.17 176.47 1jfd h VAL 123 N 2.29 0.74 0.00 1.11 -1.51 -1.41 0.11 116.25 117.58 1jfd h VAL 123 Ca -0.29 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1jfd h VAL 123 Cb 1.25 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1jfd h VAL 123 CO 0.41 0.09 0.00 0.78 -1.23 0.00 0.00 177.57 177.62 1jfd h ASN 124 N 0.49 0.00 1.43 4.19 -0.26 -1.95 -2.90 115.58 116.59 1jfd h ASN 124 Ca 0.45 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.16 1jfd h ASN 124 Cb 0.97 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.23 1jfd h ASN 124 CO -0.18 0.00 -0.58 0.44 -1.06 0.00 0.00 177.43 176.05 1jfd h ASP 125 N 0.00 0.00 -3.89 5.81 3.32 -1.16 -3.46 116.42 117.04 1jfd h ASP 125 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1jfd h ASP 125 Cb 0.32 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.92 1jfd h ASP 125 CO 0.00 0.12 0.54 -0.76 -1.72 0.00 0.00 179.24 177.42 1jfd s LEU 126 N -5.89 4.35 0.31 1.55 1.43 -1.10 -4.85 118.68 114.49 1jfd s LEU 126 Ca 0.03 2.44 -0.30 0.00 -1.03 0.00 0.00 54.13 55.27 1jfd s LEU 126 Cb 0.07 -3.81 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 1jfd s LEU 126 CO 0.74 -0.51 1.59 -2.16 0.23 0.00 0.00 176.35 176.24 1jfd s PRO 127 N -1.94 4.11 0.27 1.29 0.04 -1.26 -4.89 135.00 132.62 1jfd s PRO 127 Ca 0.51 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.16 1jfd s PRO 127 Cb -0.34 -3.01 0.58 0.00 0.04 0.00 0.00 34.50 31.77 1jfd s PRO 127 CO 0.44 -0.64 1.76 0.93 0.04 0.00 0.00 177.00 179.53 1jfd h GLU 128 N 4.61 0.61 0.00 4.56 4.39 -1.93 -2.55 114.58 124.27 1jfd h GLU 128 Ca -0.48 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 1jfd h GLU 128 Cb 1.22 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1jfd h GLU 128 CO 0.78 0.41 -0.00 1.25 -1.16 0.00 0.00 179.01 180.28 1jfd h LEU 129 N 0.63 -0.00 -0.77 1.33 5.85 -1.99 -1.13 115.31 119.24 1jfd h LEU 129 Ca 0.49 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.25 1jfd h LEU 129 Cb 0.72 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1jfd h LEU 129 CO -0.38 0.05 0.41 0.25 -0.34 0.00 0.00 178.44 178.43 1jfd h LEU 130 N -0.06 0.55 -0.93 2.25 5.85 -1.85 0.16 115.31 121.29 1jfd h LEU 130 Ca -0.00 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1jfd h LEU 130 Cb 0.06 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1jfd h LEU 130 CO 0.00 0.31 0.07 0.11 -0.34 0.00 0.00 178.44 178.60 1jfd h LYS 131 N 0.68 0.86 -0.21 1.25 1.57 -1.21 -1.24 116.57 118.27 1jfd h LYS 131 Ca 0.38 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1jfd h LYS 131 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1jfd h LYS 131 CO -0.26 0.81 -0.46 0.00 -0.57 0.00 0.00 179.45 178.97 1jfd h ALA 132 N 1.26 0.80 -0.30 3.86 0.00 0.17 -2.00 119.26 123.05 1jfd h ALA 132 Ca 0.17 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1jfd h ALA 132 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jfd h ALA 132 CO 0.01 0.66 -0.09 1.96 0.00 0.00 0.00 179.25 181.79 1jfd h GLN 133 N 0.43 0.59 0.01 0.00 4.20 -0.42 -1.16 115.11 118.77 1jfd h GLN 133 Ca 0.03 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1jfd h GLN 133 Cb 0.98 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1jfd h GLN 133 CO 0.09 0.79 -0.01 0.82 -0.67 0.00 0.00 178.83 179.85 1jfd h ILE 134 N 0.35 0.99 0.10 2.54 2.04 -1.17 0.12 117.51 122.48 1jfd h ILE 134 Ca 0.07 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1jfd h ILE 134 Cb 0.59 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1jfd h ILE 134 CO 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 178.00 1jfd h ALA 135 N 0.97 -0.31 -0.87 1.87 0.00 -1.35 -1.62 119.26 117.96 1jfd h ALA 135 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jfd h ALA 135 Cb 0.02 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1jfd h ALA 135 CO 0.00 -0.71 0.57 1.25 0.00 0.00 0.00 179.25 180.36 1jfd h HIS 136 N -0.36 1.01 -0.12 0.00 -0.00 -1.09 -1.46 115.15 113.13 1jfd h HIS 136 Ca 0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1jfd h HIS 136 Cb 0.37 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1jfd h HIS 136 CO -0.18 0.56 0.04 0.35 -0.00 0.00 0.00 177.93 178.70 1jfd h PHE 137 N 1.03 0.20 0.00 5.26 3.57 -0.09 -2.49 116.94 124.42 1jfd h PHE 137 Ca 0.36 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 1jfd h PHE 137 Cb 0.11 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1jfd h PHE 137 CO -0.00 0.33 -0.30 0.74 -2.23 0.00 0.00 178.31 176.85 1jfd h PHE 138 N 0.01 0.00 -0.06 0.41 0.04 -0.88 0.11 116.94 116.56 1jfd h PHE 138 Ca 0.04 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1jfd h PHE 138 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1jfd h PHE 138 CO -0.00 0.30 -0.57 0.93 -0.60 0.00 0.00 178.31 178.37 1jfd h GLU 139 N 0.00 0.20 0.00 1.51 5.08 -1.14 -3.37 114.58 116.86 1jfd h GLU 139 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jfd h GLU 139 Cb 0.55 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jfd h GLU 139 CO 0.04 0.72 -0.34 0.72 -1.00 0.00 0.00 179.01 179.15 1jfd n HIS 140 N -3.89 0.00 0.30 4.33 8.25 -0.95 -4.44 115.22 118.82 1jfd n HIS 140 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1jfd n HIS 140 Cb 0.59 -0.00 0.92 0.00 1.12 0.00 0.00 29.99 32.62 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 -0.65 4.41 -0.00 -0.95 -1.82 116.97 117.95 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.89 1jfd h TYR 141 CO 0.00 0.02 0.00 1.63 -0.00 0.00 0.00 178.16 179.81 1jfd n LYS 142 N -3.76 2.78 -0.35 0.10 5.02 -1.26 -4.39 118.16 116.30 1jfd n LYS 142 Ca -0.03 -2.55 0.15 0.00 -2.02 0.00 0.00 58.31 53.87 1jfd n LYS 142 Cb 0.10 -1.51 0.36 0.00 -0.02 0.00 0.00 35.03 33.96 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 3.82 0.73 -0.33 4.39 3.32 -1.61 0.12 116.42 126.85 1jfd h ASP 143 Ca 0.00 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1jfd h ASP 143 Cb 0.95 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1jfd h ASP 143 CO 0.00 0.19 0.08 0.18 -1.72 0.00 0.00 179.24 177.97 1jfd n LEU 144 N -4.82 3.68 -4.22 1.55 4.77 -1.26 -4.82 117.00 111.87 1jfd n LEU 144 Ca 0.25 -1.88 -0.33 0.00 -0.03 0.00 0.00 56.01 54.02 1jfd n LEU 144 Cb 0.67 -0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 1jfd n LEU 144 CO 0.19 0.51 -0.51 -1.61 -1.33 0.00 0.00 177.39 174.64 1jfd s GLU 145 N -1.80 3.12 0.03 3.23 2.02 0.40 -4.96 118.70 120.74 1jfd s GLU 145 Ca 0.27 -0.80 -0.36 0.00 0.02 0.00 0.00 54.97 54.10 1jfd s GLU 145 Cb 0.21 -2.52 -0.14 0.00 0.10 0.00 0.00 34.13 31.78 1jfd s GLU 145 CO 0.07 0.01 1.60 1.63 0.02 0.00 0.00 175.26 178.60 1jfd n LYS 146 N 4.03 1.76 -2.51 1.61 4.01 -1.26 -2.41 118.16 123.39 1jfd n LYS 146 Ca -0.19 0.64 -0.19 0.00 -0.51 0.00 0.00 58.31 58.05 1jfd n LYS 146 Cb 0.52 -2.38 -0.00 0.00 -0.51 0.00 0.00 35.03 32.65 1jfd n LYS 146 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jfd n GLY 147 N 3.50 -0.50 3.09 0.72 0.00 -1.26 -4.99 105.19 105.75 1jfd n GLY 147 Ca 0.20 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.15 1.61 -0.02 1.61 -0.14 -1.01 -4.94 119.74 111.70 1jfd s LYS 148 Ca 0.05 -0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 53.85 1jfd s LYS 148 Cb -0.02 -1.40 0.08 0.00 -1.68 0.00 0.00 37.83 34.81 1jfd s LYS 148 CO 0.06 0.18 0.73 1.67 -0.76 0.00 0.00 175.35 177.23 1jfd s TRP 149 N 0.17 -0.56 0.02 3.18 1.48 -1.26 -4.73 118.94 117.24 1jfd s TRP 149 Ca -0.06 0.80 0.01 0.00 -1.06 0.00 0.00 56.10 55.79 1jfd s TRP 149 Cb -0.12 0.46 -0.01 0.00 -1.16 0.00 0.00 33.47 32.64 1jfd s TRP 149 CO 0.02 -0.61 -0.04 0.08 -4.06 0.00 0.00 176.95 172.34 1jfd s VAL 150 N -1.90 0.21 -0.04 -0.66 1.01 -1.26 -3.44 120.40 114.32 1jfd s VAL 150 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1jfd s VAL 150 Cb -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1jfd s VAL 150 CO 0.02 -0.27 -0.05 -0.75 0.00 0.00 0.00 175.10 174.04 1jfd s LYS 151 N -0.95 0.86 -0.14 2.72 2.47 -0.79 -4.73 119.74 119.18 1jfd s LYS 151 Ca -0.08 -0.14 -0.20 0.00 -1.56 0.00 0.00 55.97 53.98 1jfd s LYS 151 Cb -0.06 -0.84 -0.04 0.00 -1.46 0.00 0.00 37.83 35.43 1jfd s LYS 151 CO -0.00 -0.05 0.57 0.08 0.16 0.00 0.00 175.35 176.11 1jfd s VAL 152 N 0.77 5.10 -0.13 4.02 1.01 -1.26 -0.92 120.40 129.00 1jfd s VAL 152 Ca -0.11 1.12 0.18 0.00 0.00 0.00 0.00 61.98 63.18 1jfd s VAL 152 Cb -0.13 -3.90 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 1jfd s VAL 152 CO 0.01 0.24 0.56 -0.62 0.00 0.00 0.00 175.10 175.28 1jfd n GLU 153 N 4.18 0.65 0.00 2.72 1.02 0.79 -4.96 120.64 125.03 1jfd n GLU 153 Ca -0.04 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1jfd n GLU 153 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1jfd n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jfd n GLY 154 N 1.45 2.36 3.84 0.62 0.00 -1.00 -4.97 105.19 107.49 1jfd n GLY 154 Ca -0.14 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.77 3.61 0.28 1.61 0.52 -1.26 -1.01 118.94 120.93 1jfd s TRP 155 Ca 0.00 0.66 0.12 0.00 0.02 0.00 0.00 56.10 56.89 1jfd s TRP 155 Cb 0.00 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 30.17 1jfd s TRP 155 CO 0.00 0.63 -0.18 -1.21 0.02 0.00 0.00 176.95 176.21 1jfd s GLU 156 N -0.79 1.72 1.06 4.98 2.02 -0.01 -4.98 118.70 122.69 1jfd s GLU 156 Ca 0.17 -1.77 -0.17 0.00 0.02 0.00 0.00 54.97 53.22 1jfd s GLU 156 Cb -0.13 -1.78 0.24 0.00 0.10 0.00 0.00 34.13 32.55 1jfd s GLU 156 CO 0.06 0.32 1.24 0.54 0.02 0.00 0.00 175.26 177.44 1jfd s ASN 157 N -3.53 2.22 0.27 -0.19 2.20 -1.26 -1.97 114.94 112.69 1jfd s ASN 157 Ca 0.30 0.40 -0.01 0.00 -0.94 0.00 0.00 52.86 52.61 1jfd s ASN 157 Cb -0.04 -0.51 0.45 0.00 -2.00 0.00 0.00 41.25 39.15 1jfd s ASN 157 CO 0.15 -3.30 1.87 0.00 -2.94 0.00 0.00 177.10 172.89 1jfd h ALA 158 N -2.02 1.44 -0.65 3.54 0.00 -1.87 -1.08 119.26 118.61 1jfd h ALA 158 Ca -0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1jfd h ALA 158 Cb 1.26 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1jfd h ALA 158 CO 0.36 0.39 0.16 0.93 0.00 0.00 0.00 179.25 181.09 1jfd h GLU 159 N 1.13 1.05 -0.30 0.00 4.39 -1.93 0.33 114.58 119.25 1jfd h GLU 159 Ca 0.45 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 1jfd h GLU 159 Cb 0.24 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1jfd h GLU 159 CO -0.19 0.94 -0.13 0.00 -1.16 0.00 0.00 179.01 178.48 1jfd h ALA 160 N 1.06 1.23 0.04 3.43 0.00 -1.74 -0.56 119.26 122.72 1jfd h ALA 160 Ca 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jfd h ALA 160 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jfd h ALA 160 CO 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 1jfd h ALA 161 N 1.40 -0.05 -0.80 0.00 0.00 -0.66 -2.73 119.26 116.42 1jfd h ALA 161 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jfd h ALA 161 Cb 0.50 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1jfd h ALA 161 CO 0.03 -0.33 0.53 0.87 0.00 0.00 0.00 179.25 180.35 1jfd h LYS 162 N -0.45 1.04 -0.60 0.00 1.57 -0.77 -1.97 116.57 115.40 1jfd h LYS 162 Ca -0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1jfd h LYS 162 Cb 0.41 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1jfd h LYS 162 CO 0.01 0.69 0.36 0.00 -0.57 0.00 0.00 179.45 179.94 1jfd h ALA 163 N 1.50 0.77 -0.85 3.86 0.00 -1.06 0.28 119.26 123.77 1jfd h ALA 163 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1jfd h ALA 163 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1jfd h ALA 163 CO -0.06 0.08 0.40 1.49 0.00 0.00 0.00 179.25 181.16 1jfd h GLU 164 N 0.70 1.23 0.04 0.00 4.57 -1.06 -0.30 114.58 119.76 1jfd h GLU 164 Ca 0.24 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1jfd h GLU 164 Cb 0.05 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1jfd h GLU 164 CO -0.11 0.95 -0.02 0.82 -1.18 0.00 0.00 179.01 179.47 1jfd h ILE 165 N 1.22 1.06 -0.04 2.32 2.04 -0.65 -1.61 117.51 121.86 1jfd h ILE 165 Ca 0.29 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jfd h ILE 165 Cb 0.13 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1jfd h ILE 165 CO -0.04 0.09 0.02 0.58 0.00 0.00 0.00 178.15 178.80 1jfd h VAL 166 N -0.21 1.00 -0.84 1.67 2.07 -0.76 0.10 116.25 119.29 1jfd h VAL 166 Ca -0.01 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1jfd h VAL 166 Cb 0.18 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1jfd h VAL 166 CO 0.01 0.01 0.41 0.00 0.02 0.00 0.00 177.57 178.01 1jfd h ALA 167 N 1.02 1.14 0.00 1.67 0.00 -1.04 0.17 119.26 122.22 1jfd h ALA 167 Ca 0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1jfd h ALA 167 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1jfd h ALA 167 CO -0.01 0.66 -0.71 0.77 0.00 0.00 0.00 179.25 179.95 1jfd h SER 168 N 1.19 0.00 -0.04 0.00 0.02 -1.02 -0.12 113.55 113.58 1jfd h SER 168 Ca 0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1jfd h SER 168 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jfd h SER 168 CO -0.04 0.71 -0.09 0.15 -1.14 0.00 0.00 176.83 176.43 1jfd h PHE 169 N 0.00 0.17 -0.40 3.45 3.57 -0.32 -1.21 116.94 122.19 1jfd h PHE 169 Ca -0.01 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1jfd h PHE 169 Cb 1.28 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1jfd h PHE 169 CO 0.00 0.68 0.22 0.93 -2.23 0.00 0.00 178.31 177.91 1jfd h GLU 170 N -0.39 0.56 -0.14 1.11 4.39 -1.00 -2.19 114.58 116.92 1jfd h GLU 170 Ca 0.00 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1jfd h GLU 170 Cb 0.67 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1jfd h GLU 170 CO 0.02 0.46 0.10 -0.09 -1.16 0.00 0.00 179.01 178.34 1jfd h ARG 171 N 0.52 0.03 -0.02 2.33 2.43 -1.03 -1.64 114.38 117.01 1jfd h ARG 171 Ca 0.14 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1jfd h ARG 171 Cb 0.06 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jfd h ARG 171 CO -0.02 0.02 -0.62 0.00 -1.51 0.00 0.00 179.97 177.84 1jfd h ALA 172 N 1.93 0.95 -0.52 2.80 0.00 -0.70 -3.18 119.26 120.53 1jfd h ALA 172 Ca 0.07 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1jfd h ALA 172 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1jfd h ALA 172 CO -0.00 0.76 0.26 0.87 0.00 0.00 0.00 179.25 181.14 1jfd h LYS 173 N 0.04 0.50 -0.94 0.00 1.57 -1.06 -3.41 116.57 113.27 1jfd h LYS 173 Ca -0.01 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1jfd h LYS 173 Cb 1.10 -0.11 -0.21 0.00 0.08 0.00 0.00 32.23 33.09 1jfd h LYS 173 CO 0.08 0.33 -0.34 1.21 -0.57 0.00 0.00 179.45 180.16 1jfd s ASN 174 N -5.50 -1.52 0.00 0.86 3.04 -1.23 -5.16 114.94 105.42 1jfd s ASN 174 Ca -0.13 0.24 0.00 0.00 0.04 0.00 0.00 52.86 53.02 1jfd s ASN 174 Cb 0.14 1.99 0.00 0.00 -1.54 0.00 0.00 41.25 41.84 1jfd s ASN 174 CO 0.74 -0.28 0.00 1.17 -3.04 0.00 0.00 177.10 175.69