#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctl s ALA 2 N 0.00 -2.12 0.18 3.04 0.00 -1.26 -4.98 121.76 116.62 1ctl s ALA 2 Ca 0.00 1.75 0.35 0.00 0.00 0.00 0.00 51.96 54.06 1ctl s ALA 2 Cb 0.00 -1.55 1.63 0.00 0.00 0.00 0.00 23.12 23.20 1ctl s ALA 2 CO 0.00 -0.18 2.05 0.37 0.00 0.00 0.00 175.76 178.01 1ctl h GLN 3 N 3.10 0.00 -3.22 0.00 4.15 -2.07 -3.49 115.11 113.58 1ctl h GLN 3 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1ctl h GLN 3 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1ctl h GLN 3 CO 0.19 0.00 -0.80 1.17 -1.93 0.00 0.00 178.83 177.46 1ctl n LYS 4 N -2.94 -3.89 -3.22 1.69 4.81 -1.26 -4.84 118.16 108.50 1ctl n LYS 4 Ca -0.00 2.92 -0.21 0.00 -0.87 0.00 0.00 58.31 60.15 1ctl n LYS 4 Cb 0.21 -3.36 0.05 0.00 0.02 0.00 0.00 35.03 31.96 1ctl n LYS 4 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ctl n VAL 5 N -1.23 -2.28 -0.03 3.15 0.31 -1.26 -4.94 118.33 112.05 1ctl n VAL 5 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1ctl n VAL 5 Cb 0.08 -3.53 -0.00 0.00 -0.91 0.00 0.00 33.84 29.49 1ctl n VAL 5 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ctl h GLY 6 N -1.87 0.00 0.00 2.92 0.00 -1.99 -3.51 103.07 98.63 1ctl h GLY 6 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1ctl h GLY 6 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1ctl n GLY 7 N 1.81 0.10 0.00 4.60 0.00 -1.26 -5.17 105.19 105.28 1ctl n GLY 7 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ctl n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ctl n SER 8 N 0.00 -0.49 -4.33 1.61 7.64 -1.26 -4.98 113.62 111.81 1ctl n SER 8 Ca 0.00 -0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 1ctl n SER 8 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1ctl n SER 8 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ctl s ASP 9 N -1.71 5.72 0.00 6.43 1.01 -0.82 -4.89 116.67 122.40 1ctl s ASP 9 Ca 0.00 -1.25 0.00 0.00 0.71 0.00 0.00 52.55 52.01 1ctl s ASP 9 Cb 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.91 1ctl s ASP 9 CO 0.00 -0.47 0.00 0.61 0.21 0.00 0.00 175.17 175.52 1ctl n GLY 10 N 4.98 4.06 2.65 0.21 0.00 -1.26 -2.09 105.19 113.74 1ctl n GLY 10 Ca -0.11 -2.15 -0.23 0.00 0.00 0.00 0.00 46.02 43.52 1ctl n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n PRO 12 N 5.29 0.12 -0.03 0.00 -0.05 -1.26 -1.51 135.00 137.56 1ctl n PRO 12 Ca -0.06 0.62 -0.01 0.00 -0.05 0.00 0.00 63.50 64.00 1ctl n PRO 12 Cb 0.47 -1.93 -0.00 0.00 -0.05 0.00 0.00 33.50 31.99 1ctl n PRO 12 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 1ctl h ARG 13 N 0.00 0.00 0.00 0.54 9.65 -1.92 -3.40 114.38 119.24 1ctl h ARG 13 Ca 0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 1ctl h ARG 13 Cb 0.06 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1ctl h ARG 13 CO 0.00 0.00 -1.58 0.00 2.80 0.00 0.00 179.97 181.19 1ctl n GLY 15 N 1.48 0.83 0.00 0.00 0.00 -0.57 -5.08 105.19 101.85 1ctl n GLY 15 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ctl n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ctl n GLN 16 N -2.28 0.98 -3.57 1.61 6.02 -1.24 -4.95 117.38 113.93 1ctl n GLN 16 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1ctl n GLN 16 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 1ctl n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ctl s ALA 17 N -2.41 -1.87 -0.08 -1.58 0.00 -1.26 -1.69 121.76 112.87 1ctl s ALA 17 Ca 0.00 1.58 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 1ctl s ALA 17 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1ctl s ALA 17 CO 0.00 -0.32 0.23 0.08 0.00 0.00 0.00 175.76 175.74 1ctl s VAL 18 N -0.80 0.01 -0.03 0.00 1.01 -0.89 -4.92 120.40 114.77 1ctl s VAL 18 Ca -0.04 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1ctl s VAL 18 Cb -0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 35.96 1ctl s VAL 18 CO 0.03 -0.03 0.10 0.00 0.00 0.00 0.00 175.10 175.20 1ctl n TYR 19 N 2.80 0.00 -2.69 5.22 9.36 -1.26 -1.95 117.16 128.64 1ctl n TYR 19 Ca -0.14 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.07 1ctl n TYR 19 Cb 0.58 -0.08 0.10 0.00 -0.63 0.00 0.00 39.34 39.31 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ctl n ALA 20 N -1.56 2.84 -0.90 2.98 0.00 -1.26 -4.92 120.51 117.69 1ctl n ALA 20 Ca -0.01 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1ctl n ALA 20 Cb 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1ctl n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ctl n ALA 21 N -1.17 2.10 -0.35 0.00 0.00 -1.26 -5.02 120.51 114.82 1ctl n ALA 21 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ctl n ALA 21 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1ctl n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ctl n GLU 22 N -1.16 1.08 -1.85 0.00 0.00 -1.26 -5.01 120.64 112.45 1ctl n GLU 22 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 57.16 55.86 1ctl n GLU 22 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 31.44 30.58 1ctl n GLU 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1ctl s LYS 23 N -0.43 4.17 0.56 3.44 -2.85 -1.25 -2.66 119.74 120.71 1ctl s LYS 23 Ca 0.00 2.43 0.05 0.00 -1.00 0.00 0.00 55.97 57.45 1ctl s LYS 23 Cb 0.00 -3.62 0.05 0.00 -2.06 0.00 0.00 37.83 32.20 1ctl s LYS 23 CO 0.00 -0.78 0.42 1.33 0.10 0.00 0.00 175.35 176.42 1ctl n VAL 24 N 4.77 0.00 -3.77 1.79 0.24 0.20 -4.95 118.33 116.60 1ctl n VAL 24 Ca 0.17 -2.19 -0.13 0.00 -2.04 0.00 0.00 64.34 60.14 1ctl n VAL 24 Cb 0.40 -0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.64 1ctl n VAL 24 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1ctl s ILE 25 N -2.75 0.03 -0.29 1.34 2.07 -1.26 -2.08 121.20 118.25 1ctl s ILE 25 Ca 0.32 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1ctl s ILE 25 Cb -0.03 -0.51 0.19 0.00 0.13 0.00 0.00 42.46 42.24 1ctl s ILE 25 CO 0.20 -0.13 0.58 -0.83 -1.91 0.00 0.00 174.94 172.85 1ctl s GLY 26 N -0.53 -1.01 -1.68 1.50 0.00 0.20 -4.95 107.32 100.85 1ctl s GLY 26 Ca -0.06 1.57 -0.00 0.00 0.00 0.00 0.00 44.72 46.22 1ctl s GLY 26 CO 0.02 3.39 0.02 0.00 0.00 0.00 0.00 173.10 176.53 1ctl n ALA 27 N 5.42 -0.59 0.00 3.20 0.00 -1.26 -1.12 120.51 126.16 1ctl n ALA 27 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1ctl n ALA 27 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1ctl n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ctl n GLY 28 N -1.03 2.66 3.79 0.00 0.00 -1.26 -4.46 105.19 104.89 1ctl n GLY 28 Ca -0.23 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1ctl n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ctl s LYS 29 N 0.00 2.52 -0.03 1.61 1.02 -0.28 -5.08 119.74 119.50 1ctl s LYS 29 Ca 0.00 0.99 0.02 0.00 0.02 0.00 0.00 55.97 57.00 1ctl s LYS 29 Cb 0.00 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1ctl s LYS 29 CO 0.00 -1.40 -0.08 -1.54 -0.92 0.00 0.00 175.35 171.40 1ctl s SER 30 N -3.65 1.19 0.39 2.83 1.04 -1.26 -0.63 113.70 113.61 1ctl s SER 30 Ca 0.60 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.89 1ctl s SER 30 Cb -0.15 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.56 1ctl s SER 30 CO 0.55 0.04 0.18 0.26 0.98 0.00 0.00 173.24 175.26 1ctl s TRP 31 N 0.36 1.77 0.29 5.02 0.52 -0.89 -4.28 118.94 121.74 1ctl s TRP 31 Ca -0.06 -1.44 0.11 0.00 0.02 0.00 0.00 56.10 54.74 1ctl s TRP 31 Cb -0.10 -1.01 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 1ctl s TRP 31 CO 0.01 -0.51 -0.15 -1.01 0.02 0.00 0.00 176.95 175.31 1ctl s HIS 32 N -3.26 2.37 0.14 -1.98 3.76 -1.26 0.59 115.29 115.65 1ctl s HIS 32 Ca 0.28 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 1ctl s HIS 32 Cb 0.02 -1.08 -0.00 0.00 1.11 0.00 0.00 32.58 32.62 1ctl s HIS 32 CO 0.19 0.68 1.75 0.87 -0.85 0.00 0.00 174.74 177.38 1ctl h LYS 33 N 2.17 0.54 -0.51 1.40 1.57 -1.85 0.82 116.57 120.70 1ctl h LYS 33 Ca -0.41 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1ctl h LYS 33 Cb 1.26 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1ctl h LYS 33 CO 0.61 0.43 0.28 0.77 -0.57 0.00 0.00 179.45 180.98 1ctl h SER 34 N 0.50 0.62 1.47 0.86 0.02 -1.90 0.71 113.55 115.82 1ctl h SER 34 Ca 0.14 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ctl h SER 34 Cb 0.05 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1ctl h SER 34 CO -0.02 0.51 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 1ctl s PHE 36 N -3.21 1.60 -0.18 0.00 2.19 0.26 -4.83 117.98 113.81 1ctl s PHE 36 Ca 0.08 0.83 -0.00 0.00 0.33 0.00 0.00 56.93 58.17 1ctl s PHE 36 Cb 0.10 -4.02 0.01 0.00 -1.31 0.00 0.00 43.02 37.80 1ctl s PHE 36 CO 0.58 -2.68 -0.14 1.03 1.83 0.00 0.00 175.22 175.83 1ctl s ARG 37 N 6.66 3.16 -0.05 10.12 0.52 -1.26 -1.47 118.95 136.63 1ctl s ARG 37 Ca 0.78 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.93 1ctl s ARG 37 Cb -0.18 -2.70 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 1ctl s ARG 37 CO 0.27 -0.14 2.00 0.00 0.02 0.00 0.00 175.30 177.45 1ctl n ALA 39 N 8.04 4.72 -0.38 0.00 0.00 -0.95 -1.44 120.51 130.51 1ctl n ALA 39 Ca 0.23 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1ctl n ALA 39 Cb 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1ctl n ALA 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ctl n LYS 40 N -0.62 0.00 0.00 0.00 4.81 -1.26 -4.84 118.16 116.25 1ctl n LYS 40 Ca 0.43 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 58.01 1ctl n LYS 40 Cb 1.35 -0.09 0.68 0.00 0.02 0.00 0.00 35.03 36.99 1ctl n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ctl n GLY 42 N 1.27 1.13 3.56 0.00 0.00 -0.52 -4.98 105.19 105.66 1ctl n GLY 42 Ca 0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1ctl n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ctl s LYS 43 N -2.71 3.54 -0.65 1.61 2.36 -1.25 -4.91 119.74 117.72 1ctl s LYS 43 Ca 0.00 0.15 -0.28 0.00 -2.55 0.00 0.00 55.97 53.30 1ctl s LYS 43 Cb 0.00 -3.92 0.03 0.00 -1.05 0.00 0.00 37.83 32.89 1ctl s LYS 43 CO 0.00 -1.18 1.27 0.45 1.55 0.00 0.00 175.35 177.44 1ctl s SER 44 N 2.21 6.26 0.00 1.43 0.15 -1.26 -1.64 113.70 120.84 1ctl s SER 44 Ca 0.36 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1ctl s SER 44 Cb -0.11 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1ctl s SER 44 CO 0.25 -1.69 0.00 0.00 1.20 0.00 0.00 173.24 173.00 1ctl n LEU 45 N 9.09 0.00 -3.57 3.45 -0.00 -0.54 -4.97 117.00 120.46 1ctl n LEU 45 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.01 1ctl n LEU 45 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 1ctl n LEU 45 CO 0.71 -0.07 0.89 -0.70 -0.00 0.00 0.00 177.39 178.23 1ctl s GLU 46 N -1.47 0.47 -0.17 1.47 2.12 -1.25 -3.78 118.70 116.09 1ctl s GLU 46 Ca 0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 1ctl s GLU 46 Cb 0.00 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1ctl s GLU 46 CO 0.00 -0.19 0.00 -1.13 -0.54 0.00 0.00 175.26 173.40 1ctl n SER 47 N 0.13 -5.86 -4.15 -1.70 3.41 -1.26 -4.88 113.62 99.31 1ctl n SER 47 Ca -0.04 0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1ctl n SER 47 Cb 0.59 -3.51 -0.10 0.00 -0.26 0.00 0.00 64.21 60.93 1ctl n SER 47 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ctl s THR 48 N -1.17 0.26 1.22 6.66 -4.23 -1.26 -5.16 115.64 111.97 1ctl s THR 48 Ca 0.00 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 1ctl s THR 48 Cb 0.00 -1.92 0.30 0.00 1.34 0.00 0.00 72.50 72.22 1ctl s THR 48 CO 0.00 -0.61 1.01 -0.89 -0.54 0.00 0.00 174.62 173.59 1ctl s THR 49 N -3.93 1.81 0.00 3.99 2.01 -1.26 -4.74 115.64 113.51 1ctl s THR 49 Ca 0.20 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1ctl s THR 49 Cb 0.07 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.46 1ctl s THR 49 CO -0.01 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.92 1ctl n LEU 50 N -5.05 0.00 -3.06 4.42 -0.00 -1.26 0.59 117.00 112.64 1ctl n LEU 50 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.11 1ctl n LEU 50 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1ctl n LEU 50 CO 0.54 0.00 0.48 0.00 -0.00 0.00 0.00 177.39 178.41 1ctl s ALA 51 N -1.32 -4.06 -0.02 1.47 0.00 0.20 -4.80 121.76 113.22 1ctl s ALA 51 Ca 0.00 1.30 -0.24 0.00 0.00 0.00 0.00 51.96 53.03 1ctl s ALA 51 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1ctl s ALA 51 CO 0.00 -2.19 0.72 0.16 0.00 0.00 0.00 175.76 174.45 1ctl s ASP 52 N 2.69 7.07 -0.07 0.00 1.47 -1.26 -0.58 116.67 125.99 1ctl s ASP 52 Ca 0.24 1.29 -0.20 0.00 1.18 0.00 0.00 52.55 55.05 1ctl s ASP 52 Cb -0.01 -2.43 0.04 0.00 -0.34 0.00 0.00 42.92 40.18 1ctl s ASP 52 CO -0.21 -0.06 0.47 -0.54 0.68 0.00 0.00 175.17 175.51 1ctl s LYS 53 N 0.43 0.76 -1.70 2.11 1.02 0.20 -4.73 119.74 117.83 1ctl s LYS 53 Ca 0.38 0.16 -0.00 0.00 0.02 0.00 0.00 55.97 56.53 1ctl s LYS 53 Cb -0.19 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1ctl s LYS 53 CO 0.20 -0.20 0.00 -0.25 -0.92 0.00 0.00 175.35 174.19 1ctl n ASP 54 N 1.55 -5.68 0.00 2.83 8.00 -1.26 -1.43 116.55 120.56 1ctl n ASP 54 Ca -0.19 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1ctl n ASP 54 Cb 0.56 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ctl n GLY 55 N -1.02 3.20 0.67 0.44 0.00 -1.26 -5.01 105.19 102.20 1ctl n GLY 55 Ca -0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 1ctl n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ctl n GLU 56 N -0.99 1.74 -4.21 1.61 -0.58 -0.51 -4.80 120.64 112.90 1ctl n GLU 56 Ca 0.00 -0.68 -0.17 0.00 -0.42 0.00 0.00 57.16 55.89 1ctl n GLU 56 Cb 0.00 0.19 -0.07 0.00 -0.57 0.00 0.00 31.44 30.99 1ctl n GLU 56 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1ctl s ILE 57 N -1.35 0.00 -0.24 -3.67 -4.36 -1.26 0.58 121.20 110.89 1ctl s ILE 57 Ca 0.00 -1.86 -0.27 0.00 -0.26 0.00 0.00 60.65 58.27 1ctl s ILE 57 Cb 0.00 -2.55 0.14 0.00 1.25 0.00 0.00 42.46 41.29 1ctl s ILE 57 CO 0.00 0.00 1.09 -0.47 0.24 0.00 0.00 174.94 175.80 1ctl s TYR 58 N -3.32 -0.37 0.42 1.37 5.04 0.25 -2.24 117.35 118.49 1ctl s TYR 58 Ca 0.37 0.81 0.05 0.00 -2.44 0.00 0.00 57.07 55.86 1ctl s TYR 58 Cb 0.02 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.74 1ctl s TYR 58 CO 0.25 -0.23 0.59 0.00 -1.34 0.00 0.00 175.55 174.81 1ctl h LYS 60 N 0.59 0.00 0.00 0.00 3.64 -0.15 -2.36 116.57 118.29 1ctl h LYS 60 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1ctl h LYS 60 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1ctl h LYS 60 CO 0.51 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.10 1ctl n GLY 61 N 0.94 -0.72 0.90 5.01 0.00 -1.26 -1.10 105.19 108.95 1ctl n GLY 61 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1ctl n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n TYR 63 N -3.03 0.58 0.00 0.00 9.36 -0.95 0.58 117.16 123.71 1ctl n TYR 63 Ca -0.03 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.50 1ctl n TYR 63 Cb 0.52 -0.99 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ctl n ALA 64 N -1.72 0.00 0.09 2.98 0.00 -0.26 -4.66 120.51 116.94 1ctl n ALA 64 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.30 1ctl n ALA 64 Cb 0.03 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.94 1ctl n ALA 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ctl h LYS 65 N 0.00 0.35 0.00 0.00 1.63 -0.72 -2.43 116.57 115.39 1ctl h LYS 65 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ctl h LYS 65 Cb 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1ctl h LYS 65 CO 0.00 0.29 0.00 -0.97 -3.45 0.00 0.00 179.45 175.32 1ctl h ASN 66 N 0.35 0.00 -1.73 4.20 -1.24 -0.06 -3.43 115.58 113.67 1ctl h ASN 66 Ca 0.09 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.61 1ctl h ASN 66 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1ctl h ASN 66 CO -0.01 0.00 1.58 0.12 -1.29 0.00 0.00 177.43 177.83 1ctl s PHE 67 N -3.88 1.15 0.00 0.67 5.36 -0.92 -4.71 117.98 115.65 1ctl s PHE 67 Ca -0.03 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1ctl s PHE 67 Cb 0.10 -3.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.09 1ctl s PHE 67 CO 0.34 -2.76 0.00 0.41 -1.46 0.00 0.00 175.22 171.75 1ctl n GLY 68 N 5.93 3.04 3.55 13.12 0.00 -1.26 -5.13 105.19 124.43 1ctl n GLY 68 Ca 0.34 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 1ctl n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ctl n PRO 69 N -1.74 0.74 -3.44 1.61 -0.04 -1.26 -4.99 135.00 125.88 1ctl n PRO 69 Ca 0.00 0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 63.31 1ctl n PRO 69 Cb 0.00 -1.94 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1ctl n PRO 69 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ctl s LYS 70 N -2.39 2.83 0.00 0.54 1.02 -1.26 -4.84 119.74 115.64 1ctl s LYS 70 Ca 0.72 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1ctl s LYS 70 Cb -0.44 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 1ctl s LYS 70 CO 0.51 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1ctl n GLY 71 N 5.11 -0.25 3.76 -3.33 0.00 -1.26 -5.10 105.19 104.12 1ctl n GLY 71 Ca -0.12 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ctl n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ctl s PHE 72 N 0.00 3.29 -0.28 1.61 0.08 -1.26 -4.94 117.98 116.48 1ctl s PHE 72 Ca 0.00 1.55 0.11 0.00 0.12 0.00 0.00 56.93 58.71 1ctl s PHE 72 Cb 0.00 -3.49 0.57 0.00 -0.57 0.00 0.00 43.02 39.53 1ctl s PHE 72 CO 0.00 -1.24 1.55 0.41 -0.10 0.00 0.00 175.22 175.84 1ctl n GLY 73 N 0.96 4.41 0.06 4.36 0.00 -1.26 -4.30 105.19 109.43 1ctl n GLY 73 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1ctl n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ctl n PHE 74 N -0.79 0.19 -3.26 1.61 3.72 -1.26 -4.98 117.46 112.68 1ctl n PHE 74 Ca 0.34 0.06 -0.16 0.00 -0.05 0.00 0.00 57.45 57.64 1ctl n PHE 74 Cb 1.12 -0.82 0.08 0.00 -0.94 0.00 0.00 39.48 38.91 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ctl n GLY 75 N 1.49 -0.26 3.57 1.37 0.00 -1.26 -4.80 105.19 105.30 1ctl n GLY 75 Ca -0.17 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1ctl n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctl n GLN 76 N -3.80 -1.83 -4.61 1.61 0.00 -1.26 -4.95 117.38 102.53 1ctl n GLN 76 Ca -0.20 1.20 -0.31 0.00 0.00 0.00 0.00 57.00 57.70 1ctl n GLN 76 Cb 0.63 -2.23 -0.08 0.00 0.00 0.00 0.00 30.24 28.56 1ctl n GLN 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ctl s GLY 77 N -6.75 2.81 0.53 2.61 0.00 -1.26 -4.94 107.32 100.32 1ctl s GLY 77 Ca 0.00 -1.00 0.36 0.00 0.00 0.00 0.00 44.72 44.07 1ctl s GLY 77 CO 0.00 -2.14 2.09 0.00 0.00 0.00 0.00 173.10 173.05 1ctl h ALA 78 N 1.40 1.00 -2.60 3.20 0.00 -1.97 -3.46 119.26 116.83 1ctl h ALA 78 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ctl h ALA 78 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ctl h ALA 78 CO 0.74 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1ctl n GLY 79 N -1.01 -0.34 0.00 0.00 0.00 -1.26 -5.02 105.19 97.56 1ctl n GLY 79 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ctl n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n ALA 80 N -0.64 0.00 -1.43 4.61 0.00 -1.26 -5.17 120.51 116.63 1ctl n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 80 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1ctl n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ctl n LEU 81 N -0.47 0.00 -2.48 0.00 4.77 -1.26 -5.04 117.00 112.52 1ctl n LEU 81 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1ctl n LEU 81 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1ctl n LEU 81 CO 0.00 0.00 0.07 -0.38 -1.33 0.00 0.00 177.39 175.75 1ctl n ILE 82 N 0.00 1.84 -0.98 -0.08 2.08 -1.26 -4.64 119.36 116.32 1ctl n ILE 82 Ca 0.00 -3.81 0.09 0.00 0.56 0.00 0.00 62.75 59.58 1ctl n ILE 82 Cb 0.00 -0.16 0.24 0.00 -0.75 0.00 0.00 39.64 38.97 1ctl n ILE 82 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1ctl n HIS 83 N -0.49 0.79 -1.89 1.39 8.25 -1.26 -5.03 115.22 116.98 1ctl n HIS 83 Ca 0.26 -0.88 -0.42 0.00 -0.26 0.00 0.00 57.72 56.42 1ctl n HIS 83 Cb 0.82 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 1ctl n HIS 83 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ctl s SER 84 N -2.04 6.58 0.00 0.41 0.01 -1.26 -5.11 113.70 112.30 1ctl s SER 84 Ca 0.40 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1ctl s SER 84 Cb 0.32 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1ctl s SER 84 CO 0.08 -0.98 0.00 1.67 0.41 0.00 0.00 173.24 174.42