#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctl n ALA 2 N 0.00 0.00 -2.65 3.17 0.00 -1.26 -4.99 120.51 114.78 1ctl n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ctl n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ctl n ALA 2 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ctl s GLN 3 N -0.83 4.22 0.00 0.00 0.00 -1.26 -5.03 119.66 116.77 1ctl s GLN 3 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 55.36 56.40 1ctl s GLN 3 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 33.01 29.38 1ctl s GLN 3 CO 0.00 -0.50 0.00 1.63 0.00 0.00 0.00 175.29 176.42 1ctl n LYS 4 N 5.89 1.40 -1.20 9.60 5.02 -1.26 -5.04 118.16 132.57 1ctl n LYS 4 Ca 0.07 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 1ctl n LYS 4 Cb 0.48 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.66 1ctl n LYS 4 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1ctl n VAL 5 N 0.00 3.18 -2.48 -0.18 3.14 -1.26 -4.86 118.33 115.87 1ctl n VAL 5 Ca 0.00 -2.07 -0.39 0.00 -2.96 0.00 0.00 64.34 58.92 1ctl n VAL 5 Cb 0.00 -0.50 -0.03 0.00 -1.06 0.00 0.00 33.84 32.25 1ctl n VAL 5 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ctl s GLY 6 N -1.45 1.15 0.14 7.55 0.00 -1.26 -4.89 107.32 108.56 1ctl s GLY 6 Ca 0.56 -2.28 0.03 0.00 0.00 0.00 0.00 44.72 43.03 1ctl s GLY 6 CO 0.09 2.84 0.10 0.61 0.00 0.00 0.00 173.10 176.74 1ctl n GLY 7 N 6.57 3.62 1.21 0.20 0.00 -1.26 -4.92 105.19 110.61 1ctl n GLY 7 Ca 0.37 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1ctl n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ctl n SER 8 N -2.31 0.60 -3.66 1.61 2.88 -0.67 -4.93 113.62 107.14 1ctl n SER 8 Ca 0.02 0.14 -0.07 0.00 -1.33 0.00 0.00 58.87 57.63 1ctl n SER 8 Cb 0.25 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 1ctl n SER 8 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1ctl s ASP 9 N -5.56 -0.60 0.53 -3.46 1.01 -0.96 -4.82 116.67 102.80 1ctl s ASP 9 Ca 0.00 1.18 0.06 0.00 0.71 0.00 0.00 52.55 54.50 1ctl s ASP 9 Cb 0.00 1.50 0.03 0.00 1.01 0.00 0.00 42.92 45.46 1ctl s ASP 9 CO 0.00 -0.22 0.41 -0.83 0.21 0.00 0.00 175.17 174.74 1ctl s GLY 10 N 2.38 2.32 -0.31 0.21 0.00 -1.26 -1.81 107.32 108.84 1ctl s GLY 10 Ca -0.05 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.30 1ctl s GLY 10 CO -0.15 -1.90 0.04 0.00 0.00 0.00 0.00 173.10 171.08 1ctl n PRO 12 N 4.47 0.12 -0.02 0.00 -0.05 -1.25 -1.54 135.00 136.73 1ctl n PRO 12 Ca -0.01 0.62 -0.00 0.00 -0.05 0.00 0.00 63.50 64.05 1ctl n PRO 12 Cb 0.42 -1.89 -0.00 0.00 -0.05 0.00 0.00 33.50 31.98 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 -0.03 0.00 0.54 9.65 -1.89 -3.39 114.38 119.26 1ctl h ARG 13 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 1ctl h ARG 13 Cb 0.01 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1ctl h ARG 13 CO 0.00 -0.02 -1.44 0.00 2.80 0.00 0.00 179.97 181.31 1ctl n GLY 15 N 1.36 0.69 0.99 0.00 0.00 -0.59 -5.11 105.19 102.53 1ctl n GLY 15 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -1.00 -3.83 1.61 3.00 -1.17 -4.75 117.38 111.23 1ctl n GLN 16 Ca 0.00 -0.51 -0.11 0.00 -0.01 0.00 0.00 57.00 56.37 1ctl n GLN 16 Cb 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 30.24 29.75 1ctl n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ctl s ALA 17 N -3.47 -0.46 0.36 -1.58 0.00 -1.26 0.58 121.76 115.93 1ctl s ALA 17 Ca 0.20 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1ctl s ALA 17 Cb -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1ctl s ALA 17 CO 0.14 -0.29 0.32 0.08 0.00 0.00 0.00 175.76 176.01 1ctl s VAL 18 N -1.92 3.25 -1.04 0.00 1.01 -0.75 -4.87 120.40 116.08 1ctl s VAL 18 Ca -0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1ctl s VAL 18 Cb -0.04 -3.12 0.31 0.00 0.00 0.00 0.00 36.38 33.53 1ctl s VAL 18 CO -0.00 -0.12 1.49 0.00 0.00 0.00 0.00 175.10 176.47 1ctl n TYR 19 N -1.43 2.40 -1.39 5.22 9.36 -1.26 -1.67 117.16 128.40 1ctl n TYR 19 Ca -0.00 -2.67 -0.13 0.00 3.32 0.00 0.00 57.90 58.42 1ctl n TYR 19 Cb 0.60 -1.19 -0.06 0.00 -0.63 0.00 0.00 39.34 38.06 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 1.06 -0.20 -0.04 2.98 0.00 -1.26 -4.77 120.51 118.27 1ctl n ALA 20 Ca 0.29 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ctl n ALA 20 Cb 0.33 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.25 0.00 -0.76 0.00 0.00 -1.26 -4.67 120.51 115.07 1ctl n ALA 21 Ca -0.13 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.25 1ctl n ALA 21 Cb 0.59 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.34 1ctl n ALA 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ctl n GLU 22 N -2.24 3.51 -2.83 0.00 -0.58 -1.26 -4.99 120.64 112.26 1ctl n GLU 22 Ca 0.00 -2.80 -0.43 0.00 -0.42 0.00 0.00 57.16 53.51 1ctl n GLU 22 Cb 0.00 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 1ctl n GLU 22 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1ctl s LYS 23 N -2.29 3.35 0.00 3.49 0.00 -1.25 -0.59 119.74 122.45 1ctl s LYS 23 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 55.97 56.19 1ctl s LYS 23 Cb 0.32 -4.04 0.00 0.00 0.00 0.00 0.00 37.83 34.11 1ctl s LYS 23 CO 0.15 -1.47 0.00 1.33 0.00 0.00 0.00 175.35 175.36 1ctl n VAL 24 N 6.22 0.00 -3.64 1.79 0.24 0.12 -4.86 118.33 118.20 1ctl n VAL 24 Ca 0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.17 1ctl n VAL 24 Cb 0.48 -1.66 -0.07 0.00 -1.47 0.00 0.00 33.84 31.12 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 -0.10 0.03 0.00 1.34 2.07 -1.26 -1.44 121.20 121.84 1ctl s ILE 25 Ca 0.00 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1ctl s ILE 25 Cb 0.00 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1ctl s ILE 25 CO 0.00 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1ctl n GLY 26 N 1.02 5.05 3.57 1.50 0.00 0.78 -4.93 105.19 112.17 1ctl n GLY 26 Ca -0.20 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1ctl n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl s ALA 27 N -1.70 1.86 -2.01 4.61 0.00 -1.26 -1.99 121.76 121.27 1ctl s ALA 27 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1ctl s ALA 27 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1ctl s ALA 27 CO 0.00 -4.76 0.00 0.41 0.00 0.00 0.00 175.76 171.41 1ctl n GLY 28 N 6.53 1.19 3.60 0.00 0.00 -1.26 -3.92 105.19 111.33 1ctl n GLY 28 Ca 0.41 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.11 2.17 -0.10 1.61 -0.14 -0.84 -5.09 119.74 113.24 1ctl s LYS 29 Ca 0.00 -1.22 -0.04 0.00 -1.36 0.00 0.00 55.97 53.35 1ctl s LYS 29 Cb 0.00 -2.22 0.05 0.00 -1.68 0.00 0.00 37.83 33.98 1ctl s LYS 29 CO 0.00 0.44 0.20 -1.54 -0.76 0.00 0.00 175.35 173.69 1ctl s SER 30 N -2.88 0.59 0.36 2.83 1.04 -1.26 -0.16 113.70 114.22 1ctl s SER 30 Ca 0.26 0.43 0.08 0.00 0.48 0.00 0.00 55.95 57.20 1ctl s SER 30 Cb -0.09 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1ctl s SER 30 CO 0.16 -0.24 0.06 0.26 0.98 0.00 0.00 173.24 174.46 1ctl s TRP 31 N 2.31 2.58 0.54 5.02 0.52 -0.52 -3.82 118.94 125.56 1ctl s TRP 31 Ca 0.02 -0.48 -0.14 0.00 0.02 0.00 0.00 56.10 55.52 1ctl s TRP 31 Cb -0.12 -1.62 -0.07 0.00 -1.15 0.00 0.00 33.47 30.51 1ctl s TRP 31 CO -0.07 0.40 0.98 -1.01 0.02 0.00 0.00 176.95 177.28 1ctl s HIS 32 N -2.54 3.51 -0.62 -1.98 3.76 -1.24 0.13 115.29 116.30 1ctl s HIS 32 Ca 0.36 1.38 0.11 0.00 -0.15 0.00 0.00 55.06 56.77 1ctl s HIS 32 Cb 0.01 -2.74 0.59 0.00 1.11 0.00 0.00 32.58 31.55 1ctl s HIS 32 CO 0.20 -0.45 1.34 1.63 -0.85 0.00 0.00 174.74 176.62 1ctl n LYS 33 N -1.93 0.07 -0.21 1.40 5.02 0.24 0.45 118.16 123.20 1ctl n LYS 33 Ca 0.06 0.55 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 1ctl n LYS 33 Cb 0.54 -1.72 0.17 0.00 -0.02 0.00 0.00 35.03 34.00 1ctl n LYS 33 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ctl n SER 34 N -1.87 2.94 -0.04 4.39 3.41 -1.26 -4.45 113.62 116.73 1ctl n SER 34 Ca -0.00 -2.88 0.01 0.00 -0.26 0.00 0.00 58.87 55.74 1ctl n SER 34 Cb 0.03 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1ctl n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ctl s PHE 36 N -0.83 3.13 -0.36 0.00 0.08 -1.22 -4.69 117.98 114.10 1ctl s PHE 36 Ca 0.04 -1.43 -0.07 0.00 0.12 0.00 0.00 56.93 55.59 1ctl s PHE 36 Cb 0.03 -4.29 0.05 0.00 -0.57 0.00 0.00 43.02 38.24 1ctl s PHE 36 CO 0.00 -1.49 0.14 -0.98 -0.10 0.00 0.00 175.22 172.79 1ctl s ARG 37 N 2.65 2.59 -0.08 0.44 1.70 -1.26 -2.20 118.95 122.79 1ctl s ARG 37 Ca 0.33 -1.26 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 1ctl s ARG 37 Cb -0.05 -3.53 -0.06 0.00 -0.57 0.00 0.00 34.95 30.74 1ctl s ARG 37 CO -0.09 -0.74 1.92 0.00 -1.08 0.00 0.00 175.30 175.31 1ctl n ALA 39 N 8.60 5.97 0.00 0.00 0.00 -1.22 -0.70 120.51 133.16 1ctl n ALA 39 Ca 0.22 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1ctl n ALA 39 Cb 0.43 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.50 0.00 0.01 0.00 4.81 -1.26 -4.64 118.16 116.58 1ctl n LYS 40 Ca 0.52 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 58.07 1ctl n LYS 40 Cb 0.63 -0.31 -0.00 0.00 0.02 0.00 0.00 35.03 35.36 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 1.44 0.63 3.72 0.00 0.00 0.12 -5.05 105.19 106.06 1ctl n GLY 42 Ca 0.03 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.08 2.89 0.04 1.61 2.20 -0.39 -4.93 119.74 120.07 1ctl s LYS 43 Ca 0.00 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 1ctl s LYS 43 Cb 0.00 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.52 1ctl s LYS 43 CO 0.00 0.63 1.43 -1.12 -0.36 0.00 0.00 175.35 175.93 1ctl s SER 44 N -1.65 6.82 0.22 1.43 0.01 -1.26 -1.98 113.70 117.28 1ctl s SER 44 Ca 0.21 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1ctl s SER 44 Cb -0.12 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1ctl s SER 44 CO 0.12 -0.72 0.00 0.18 0.41 0.00 0.00 173.24 173.23 1ctl n LEU 45 N 5.07 0.00 -3.69 2.44 4.77 -0.93 -4.96 117.00 119.70 1ctl n LEU 45 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 1ctl n LEU 45 Cb 0.43 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1ctl n LEU 45 CO 0.59 -0.23 -0.24 -0.70 -1.33 0.00 0.00 177.39 175.47 1ctl s GLU 46 N -0.30 1.29 1.35 3.23 2.56 -1.26 -5.04 118.70 120.52 1ctl s GLU 46 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 54.97 52.92 1ctl s GLU 46 Cb 0.00 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 33.85 1ctl s GLU 46 CO 0.00 -1.19 0.00 0.43 -0.56 0.00 0.00 175.26 173.94 1ctl n SER 47 N 3.43 0.00 -3.04 -1.70 7.64 -1.26 -3.37 113.62 115.31 1ctl n SER 47 Ca 0.11 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 1ctl n SER 47 Cb 0.36 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 1ctl n SER 47 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ctl n THR 48 N 0.00 -0.38 -2.95 0.44 -2.24 -1.26 -5.00 114.28 102.90 1ctl n THR 48 Ca 0.00 -3.28 -0.13 0.00 -2.27 0.00 0.00 64.05 58.37 1ctl n THR 48 Cb 0.00 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.70 1ctl n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ctl n THR 49 N 1.18 -0.35 -4.04 4.28 -2.24 -1.22 -5.06 114.28 106.82 1ctl n THR 49 Ca 0.17 -2.15 -0.13 0.00 -2.27 0.00 0.00 64.05 59.68 1ctl n THR 49 Cb 0.59 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 1ctl n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ctl n LEU 50 N 2.24 0.00 -3.27 3.22 -0.00 -1.26 -0.24 117.00 117.68 1ctl n LEU 50 Ca 0.18 -2.26 -0.05 0.00 -0.00 0.00 0.00 56.01 53.88 1ctl n LEU 50 Cb 0.56 1.69 -0.05 0.00 -0.00 0.00 0.00 43.42 45.63 1ctl n LEU 50 CO 0.05 -0.46 0.00 0.00 -0.00 0.00 0.00 177.39 176.98 1ctl s ALA 51 N -2.69 -1.55 0.37 1.47 0.00 0.19 -3.95 121.76 115.61 1ctl s ALA 51 Ca 0.25 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1ctl s ALA 51 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 1ctl s ALA 51 CO 0.18 -1.55 0.72 0.16 0.00 0.00 0.00 175.76 175.26 1ctl s ASP 52 N 2.64 6.52 0.00 0.00 1.47 -1.26 -2.22 116.67 123.83 1ctl s ASP 52 Ca 0.13 1.05 0.00 0.00 1.18 0.00 0.00 52.55 54.90 1ctl s ASP 52 Cb -0.13 -2.29 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 1ctl s ASP 52 CO -0.24 -0.34 0.00 0.29 0.68 0.00 0.00 175.17 175.56 1ctl n LYS 53 N -1.14 0.00 -1.47 2.11 5.02 -0.14 -4.73 118.16 117.80 1ctl n LYS 53 Ca 0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 1ctl n LYS 53 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.48 1ctl n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ctl n ASP 54 N 0.00 -5.43 0.00 4.39 8.00 -1.26 -1.86 116.55 120.39 1ctl n ASP 54 Ca 0.00 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1ctl n ASP 54 Cb 0.00 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 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 -0.35 2.18 3.85 0.44 0.00 -1.25 -5.03 105.19 105.02 1ctl n GLY 55 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1ctl n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ctl s GLU 56 N -0.05 2.24 -0.10 1.61 2.02 -0.78 -4.89 118.70 118.76 1ctl s GLU 56 Ca 0.00 -2.12 -0.11 0.00 0.02 0.00 0.00 54.97 52.76 1ctl s GLU 56 Cb 0.00 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.34 1ctl s GLU 56 CO 0.00 -0.51 0.29 0.96 0.02 0.00 0.00 175.26 176.03 1ctl s ILE 57 N -2.79 0.01 0.35 -1.63 -4.36 -1.26 -0.97 121.20 110.54 1ctl s ILE 57 Ca 0.26 -0.06 0.03 0.00 -0.26 0.00 0.00 60.65 60.62 1ctl s ILE 57 Cb -0.01 -0.43 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 1ctl s ILE 57 CO 0.16 -0.03 0.10 -0.72 0.24 0.00 0.00 174.94 174.69 1ctl s TYR 58 N -0.00 1.80 0.06 1.37 -0.85 -0.94 -3.43 117.35 115.36 1ctl s TYR 58 Ca -0.01 -1.16 0.04 0.00 -0.52 0.00 0.00 57.07 55.42 1ctl s TYR 58 Cb -0.02 -1.14 -0.04 0.00 0.38 0.00 0.00 41.96 41.14 1ctl s TYR 58 CO 0.01 -0.22 -0.03 0.00 -1.52 0.00 0.00 175.55 173.79 1ctl n LYS 60 N 0.88 0.06 0.00 0.00 4.81 0.66 -1.86 118.16 122.71 1ctl n LYS 60 Ca -0.12 0.17 0.04 0.00 -0.87 0.00 0.00 58.31 57.53 1ctl n LYS 60 Cb 0.52 -1.50 0.23 0.00 0.02 0.00 0.00 35.03 34.30 1ctl n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ctl n GLY 61 N 0.36 -0.51 1.10 3.14 0.00 -1.13 -0.77 105.19 107.38 1ctl n GLY 61 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.04 0.65 -0.03 0.00 4.01 -0.95 0.38 117.16 118.19 1ctl n TYR 63 Ca 0.00 0.34 -0.02 0.00 -0.16 0.00 0.00 57.90 58.06 1ctl n TYR 63 Cb 0.38 -1.04 -0.01 0.00 -0.31 0.00 0.00 39.34 38.37 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ctl h ALA 64 N 2.01 0.00 0.00 -0.72 0.00 -1.13 -3.22 119.26 116.20 1ctl h ALA 64 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ctl h ALA 64 Cb 0.01 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ctl h ALA 64 CO 0.00 0.20 0.00 1.17 0.00 0.00 0.00 179.25 180.62 1ctl n LYS 65 N -3.20 0.05 -2.73 0.00 3.00 -0.19 -1.65 118.16 113.45 1ctl n LYS 65 Ca -0.03 0.53 -0.09 0.00 -0.00 0.00 0.00 58.31 58.72 1ctl n LYS 65 Cb 0.10 -1.66 0.05 0.00 0.00 0.00 0.00 35.03 33.52 1ctl n LYS 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1ctl n ASN 66 N -1.77 0.34 -0.04 3.14 0.23 0.16 -4.68 115.26 112.64 1ctl n ASN 66 Ca -0.00 -2.72 -0.21 0.00 -0.53 0.00 0.00 54.58 51.11 1ctl n ASN 66 Cb 0.03 -0.03 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1ctl n ASN 66 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1ctl h PHE 67 N 2.74 0.26 0.00 -2.53 3.57 -1.32 -3.45 116.94 116.21 1ctl h PHE 67 Ca -0.13 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1ctl h PHE 67 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1ctl h PHE 67 CO 0.39 1.54 -0.12 0.41 -2.23 0.00 0.00 178.31 178.31 1ctl n GLY 68 N 1.67 -0.11 3.72 2.40 0.00 -1.26 -5.07 105.19 106.54 1ctl n GLY 68 Ca -0.28 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.04 2.07 -4.37 1.61 -0.04 -1.26 -5.02 135.00 124.95 1ctl n PRO 69 Ca -0.02 0.73 -0.26 0.00 -0.04 0.00 0.00 63.50 63.92 1ctl n PRO 69 Cb 0.06 -2.44 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 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 -2.19 1.80 0.06 0.54 1.02 -1.26 -4.60 119.74 115.11 1ctl s LYS 70 Ca 0.59 -1.46 -0.20 0.00 0.02 0.00 0.00 55.97 54.92 1ctl s LYS 70 Cb -0.50 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1ctl s LYS 70 CO 0.59 0.40 0.60 0.20 -0.92 0.00 0.00 175.35 176.22 1ctl s GLY 71 N -2.92 2.69 0.00 -3.33 0.00 -1.26 -5.04 107.32 97.46 1ctl s GLY 71 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1ctl s GLY 71 CO 0.13 0.60 0.13 0.69 0.00 0.00 0.00 173.10 174.65 1ctl n PHE 72 N 1.99 0.00 0.00 1.90 3.01 -1.26 -5.08 117.46 118.02 1ctl n PHE 72 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1ctl n PHE 72 Cb 0.51 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1ctl n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ctl n GLY 73 N 1.73 0.97 1.06 1.37 0.00 -1.26 -5.18 105.19 103.88 1ctl n GLY 73 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.26 -0.66 0.00 1.61 3.01 -1.26 -5.15 117.46 114.75 1ctl n PHE 74 Ca 0.00 -0.68 0.00 0.00 1.01 0.00 0.00 57.45 57.78 1ctl n PHE 74 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ctl n GLY 75 N 3.18 -1.51 0.59 1.37 0.00 -1.26 -5.05 105.19 102.50 1ctl n GLY 75 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1ctl n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ctl n GLN 76 N 0.00 0.00 0.00 1.61 -0.06 -1.26 -5.16 117.38 112.51 1ctl n GLN 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ctl n GLN 76 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ctl n GLY 77 N -1.36 3.29 3.63 1.69 0.00 -1.26 -5.20 105.19 105.98 1ctl n GLY 77 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1ctl n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl s ALA 78 N -1.94 -2.15 0.00 4.61 0.00 -1.26 -5.10 121.76 115.92 1ctl s ALA 78 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1ctl s ALA 78 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1ctl s ALA 78 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1ctl n GLY 79 N -0.43 0.56 3.15 0.00 0.00 -1.26 -5.13 105.19 102.08 1ctl n GLY 79 Ca -0.07 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1ctl n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl s ALA 80 N -0.61 -3.71 1.09 4.61 0.00 -1.26 -5.16 121.76 116.72 1ctl s ALA 80 Ca 0.00 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.14 1ctl s ALA 80 Cb 0.00 -2.77 0.24 0.00 0.00 0.00 0.00 23.12 20.59 1ctl s ALA 80 CO 0.00 -2.02 1.06 -0.51 0.00 0.00 0.00 175.76 174.29 1ctl s LEU 81 N 2.93 1.19 -0.11 0.00 1.43 -1.26 -4.92 118.68 117.94 1ctl s LEU 81 Ca 0.23 1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 1ctl s LEU 81 Cb -0.04 -3.38 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1ctl s LEU 81 CO -0.23 -3.69 1.85 -0.63 0.23 0.00 0.00 176.35 173.88 1ctl s ILE 82 N -2.72 3.32 -0.03 -0.59 -1.09 -1.26 -4.96 121.20 113.87 1ctl s ILE 82 Ca 0.67 0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 59.17 1ctl s ILE 82 Cb -0.22 -3.30 0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1ctl s ILE 82 CO 0.61 -0.10 0.75 -1.38 -1.23 0.00 0.00 174.94 173.59 1ctl s HIS 83 N 5.37 -0.55 0.00 3.97 -3.43 -1.26 -5.11 115.29 114.28 1ctl s HIS 83 Ca 0.83 0.80 0.00 0.00 -0.80 0.00 0.00 55.06 55.89 1ctl s HIS 83 Cb -0.34 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1ctl s HIS 83 CO 0.34 -0.59 0.00 0.43 -2.00 0.00 0.00 174.74 172.93 1ctl n SER 84 N 0.54 0.00 0.00 7.38 7.64 -1.26 -5.24 113.62 122.68 1ctl n SER 84 Ca -0.16 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1ctl n SER 84 Cb 0.59 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1ctl n SER 84 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70