#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 2.42 -0.37 -5.12 0.00 -1.26 -4.99 120.51 111.19 1ctl n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 2 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1ctl n ALA 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ctl n GLN 3 N -2.22 0.00 0.00 0.00 -0.06 -1.26 -3.39 117.38 110.45 1ctl n GLN 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ctl n GLN 3 Cb 0.19 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.37 1ctl n GLN 3 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ctl n LYS 4 N 0.00 0.00 -2.76 3.69 5.02 -1.26 -5.08 118.16 117.77 1ctl n LYS 4 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1ctl n LYS 4 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1ctl n LYS 4 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ctl s VAL 5 N -0.28 -0.81 0.00 -0.18 -7.23 -1.22 -5.01 120.40 105.67 1ctl s VAL 5 Ca 0.00 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1ctl s VAL 5 Cb 0.00 0.00 0.00 0.00 0.56 0.00 0.00 36.38 36.94 1ctl s VAL 5 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1ctl n GLY 6 N 2.93 0.22 5.64 2.32 0.00 -1.26 -4.84 105.19 110.21 1ctl n GLY 6 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ctl n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctl n GLY 7 N 0.00 1.57 0.00 -0.02 0.00 -1.26 -4.71 105.19 100.76 1ctl n GLY 7 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 4.53 -1.43 -3.72 1.61 7.64 -1.26 -5.00 113.62 115.98 1ctl n SER 8 Ca 0.00 -0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 1ctl n SER 8 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.94 4.00 0.54 6.43 1.01 -0.95 -4.94 116.67 120.83 1ctl s ASP 9 Ca 0.00 -1.65 0.06 0.00 0.71 0.00 0.00 52.55 51.66 1ctl s ASP 9 Cb 0.00 -0.85 0.06 0.00 1.01 0.00 0.00 42.92 43.14 1ctl s ASP 9 CO 0.00 -0.41 0.47 0.61 0.21 0.00 0.00 175.17 176.04 1ctl n GLY 10 N 4.83 2.62 2.73 0.21 0.00 -1.26 -0.99 105.19 113.33 1ctl n GLY 10 Ca -0.02 -2.29 -0.30 0.00 0.00 0.00 0.00 46.02 43.42 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 4.88 0.12 -0.04 0.00 -0.05 -1.26 -1.48 135.00 137.18 1ctl n PRO 12 Ca -0.03 0.62 -0.00 0.00 -0.05 0.00 0.00 63.50 64.03 1ctl n PRO 12 Cb 0.43 -1.90 -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 0.00 -0.05 0.00 0.00 175.50 175.45 1ctl h ARG 13 N 0.00 0.00 0.00 0.54 2.47 -1.87 -3.37 114.38 112.15 1ctl h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ctl h ARG 13 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1ctl h ARG 13 CO 0.00 0.00 -0.78 0.00 0.56 0.00 0.00 179.97 179.75 1ctl n GLY 15 N 1.24 1.41 3.91 0.00 0.00 -0.55 -5.08 105.19 106.12 1ctl n GLY 15 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1ctl n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ctl s GLN 16 N -0.83 0.95 0.32 1.61 -1.52 -1.16 -4.79 119.66 114.24 1ctl s GLN 16 Ca 0.00 -0.23 0.03 0.00 -1.95 0.00 0.00 55.36 53.21 1ctl s GLN 16 Cb 0.00 -1.87 -0.05 0.00 -0.22 0.00 0.00 33.01 30.88 1ctl s GLN 16 CO 0.00 -2.23 0.11 0.00 -0.25 0.00 0.00 175.29 172.92 1ctl s ALA 17 N -3.75 2.25 0.26 6.09 0.00 -1.26 0.59 121.76 125.94 1ctl s ALA 17 Ca 0.70 -1.74 0.12 0.00 0.00 0.00 0.00 51.96 51.04 1ctl s ALA 17 Cb -0.06 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1ctl s ALA 17 CO 0.52 -0.40 -0.20 0.08 0.00 0.00 0.00 175.76 175.76 1ctl s VAL 18 N -3.46 2.50 -0.47 0.00 1.01 -0.16 -4.79 120.40 115.02 1ctl s VAL 18 Ca 0.34 -2.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.00 1ctl s VAL 18 Cb 0.06 -2.29 0.36 0.00 0.00 0.00 0.00 36.38 34.52 1ctl s VAL 18 CO 0.15 -0.34 1.97 -1.22 0.00 0.00 0.00 175.10 175.67 1ctl n TYR 19 N -0.44 2.40 -2.95 5.22 4.02 -1.26 -2.24 117.16 121.92 1ctl n TYR 19 Ca -0.07 -2.36 -0.03 0.00 -0.01 0.00 0.00 57.90 55.44 1ctl n TYR 19 Cb 0.59 -1.14 0.01 0.00 -0.02 0.00 0.00 39.34 38.78 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ctl n ALA 20 N -0.38 -2.39 0.06 -0.72 0.00 -1.26 -4.93 120.51 110.90 1ctl n ALA 20 Ca 0.47 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1ctl n ALA 20 Cb 0.75 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.97 3.00 -1.44 0.00 0.00 -1.26 -4.93 120.51 113.92 1ctl n ALA 21 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1ctl n ALA 21 Cb 0.52 0.09 0.20 0.00 0.00 0.00 0.00 19.45 20.25 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 -3.13 1.66 -2.94 0.00 -0.58 -1.26 -4.99 120.64 109.40 1ctl n GLU 22 Ca 0.00 -3.13 -0.42 0.00 -0.42 0.00 0.00 57.16 53.19 1ctl n GLU 22 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.16 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 -3.16 3.65 0.56 3.49 0.00 -1.25 -0.02 119.74 123.01 1ctl s LYS 23 Ca 0.39 0.20 0.06 0.00 0.00 0.00 0.00 55.97 56.62 1ctl s LYS 23 Cb 0.36 -3.85 0.10 0.00 0.00 0.00 0.00 37.83 34.44 1ctl s LYS 23 CO -0.03 -0.95 0.77 1.33 0.00 0.00 0.00 175.35 176.47 1ctl n VAL 24 N 5.94 0.00 -4.09 1.79 0.24 -0.86 -4.92 118.33 116.43 1ctl n VAL 24 Ca 0.03 -1.65 -0.07 0.00 -2.04 0.00 0.00 64.34 60.61 1ctl n VAL 24 Cb 0.48 -0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 32.09 1ctl n VAL 24 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1ctl s ILE 25 N -2.38 0.23 -0.40 1.34 -5.25 -1.26 -2.01 121.20 111.48 1ctl s ILE 25 Ca 0.56 -1.81 0.04 0.00 -0.99 0.00 0.00 60.65 58.45 1ctl s ILE 25 Cb -0.04 -1.52 0.16 0.00 2.95 0.00 0.00 42.46 44.01 1ctl s ILE 25 CO 0.36 -0.99 0.41 -0.83 -1.79 0.00 0.00 174.94 172.10 1ctl s GLY 26 N -2.92 0.08 0.00 6.27 0.00 -0.76 -4.91 107.32 105.08 1ctl s GLY 26 Ca 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1ctl s GLY 26 CO -0.10 2.72 0.00 0.00 0.00 0.00 0.00 173.10 175.72 1ctl n ALA 27 N 3.81 0.00 0.07 3.20 0.00 -1.26 -0.72 120.51 125.62 1ctl n ALA 27 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1ctl n ALA 27 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 -0.66 3.79 0.00 0.00 -1.26 -5.05 105.19 102.01 1ctl n GLY 28 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.99 2.64 -0.14 1.61 3.01 0.11 -5.07 119.74 118.91 1ctl s LYS 29 Ca -0.04 1.08 -0.06 0.00 -1.01 0.00 0.00 55.97 55.94 1ctl s LYS 29 Cb 0.10 -1.95 0.06 0.00 -1.01 0.00 0.00 37.83 35.03 1ctl s LYS 29 CO 0.63 -1.34 0.29 -1.54 0.51 0.00 0.00 175.35 173.90 1ctl s SER 30 N -3.53 0.04 0.49 2.83 1.04 -1.26 -1.83 113.70 111.47 1ctl s SER 30 Ca 0.60 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.70 1ctl s SER 30 Cb -0.16 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1ctl s SER 30 CO 0.54 -0.22 0.04 0.26 0.98 0.00 0.00 173.24 174.84 1ctl s TRP 31 N 2.05 1.84 0.39 5.02 0.52 -0.85 -4.03 118.94 123.88 1ctl s TRP 31 Ca -0.03 -1.05 0.01 0.00 0.02 0.00 0.00 56.10 55.05 1ctl s TRP 31 Cb -0.11 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1ctl s TRP 31 CO -0.09 0.09 0.60 -1.01 0.02 0.00 0.00 176.95 176.55 1ctl s HIS 32 N -2.96 3.36 0.21 -1.98 3.76 -1.25 -2.04 115.29 114.39 1ctl s HIS 32 Ca 0.10 0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 55.19 1ctl s HIS 32 Cb 0.02 -2.08 0.15 0.00 1.11 0.00 0.00 32.58 31.77 1ctl s HIS 32 CO 0.06 -0.10 1.87 0.87 -0.85 0.00 0.00 174.74 176.59 1ctl h LYS 33 N 0.60 0.99 -0.71 1.40 1.57 -0.82 0.41 116.57 120.02 1ctl h LYS 33 Ca -0.48 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.18 1ctl h LYS 33 Cb 1.23 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1ctl h LYS 33 CO 0.59 0.68 0.06 0.45 -0.57 0.00 0.00 179.45 180.66 1ctl n SER 34 N -4.54 4.64 0.00 0.86 2.88 -1.26 -2.67 113.62 113.53 1ctl n SER 34 Ca 0.07 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 1ctl n SER 34 Cb 0.03 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1ctl n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ctl s PHE 36 N -1.89 1.23 -0.03 0.00 2.19 0.13 -4.87 117.98 114.74 1ctl s PHE 36 Ca 0.00 0.26 -0.00 0.00 0.33 0.00 0.00 56.93 57.51 1ctl s PHE 36 Cb 0.00 -4.02 0.03 0.00 -1.31 0.00 0.00 43.02 37.71 1ctl s PHE 36 CO 0.00 -4.46 0.02 -0.98 1.83 0.00 0.00 175.22 171.63 1ctl s ARG 37 N 5.76 0.15 -0.17 10.12 1.04 -1.26 -2.17 118.95 132.42 1ctl s ARG 37 Ca 0.96 0.17 -0.30 0.00 -1.04 0.00 0.00 55.73 55.52 1ctl s ARG 37 Cb -0.35 -0.46 -0.07 0.00 -2.04 0.00 0.00 34.95 32.02 1ctl s ARG 37 CO 0.37 -0.20 2.15 0.00 -0.04 0.00 0.00 175.30 177.58 1ctl n ALA 39 N 10.30 3.58 -0.57 0.00 0.00 -1.23 -0.92 120.51 131.67 1ctl n ALA 39 Ca 0.29 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1ctl n ALA 39 Cb 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.12 0.00 0.22 0.00 4.81 -1.26 -4.70 118.16 117.35 1ctl n LYS 40 Ca 0.21 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.77 1ctl n LYS 40 Cb 0.90 -0.17 0.35 0.00 0.02 0.00 0.00 35.03 36.12 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 0.64 2.53 3.71 0.00 0.00 -0.10 -5.07 105.19 106.91 1ctl n GLY 42 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ctl n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ctl s LYS 43 N -0.69 4.42 0.35 1.61 -0.14 -1.19 -4.72 119.74 119.37 1ctl s LYS 43 Ca 0.00 1.72 -0.28 0.00 -1.36 0.00 0.00 55.97 56.05 1ctl s LYS 43 Cb 0.00 -3.41 -0.10 0.00 -1.68 0.00 0.00 37.83 32.64 1ctl s LYS 43 CO 0.00 -0.29 1.36 -1.12 -0.76 0.00 0.00 175.35 174.55 1ctl s SER 44 N 1.16 6.64 0.19 2.83 0.01 -1.26 -1.26 113.70 122.01 1ctl s SER 44 Ca 0.58 2.80 -0.11 0.00 1.31 0.00 0.00 55.95 60.52 1ctl s SER 44 Cb -0.28 -2.66 0.04 0.00 0.21 0.00 0.00 66.02 63.34 1ctl s SER 44 CO 0.28 -0.64 0.57 0.00 0.41 0.00 0.00 173.24 173.85 1ctl n LEU 45 N 0.69 0.00 0.00 2.44 -0.00 -0.92 -4.88 117.00 114.33 1ctl n LEU 45 Ca 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 56.01 54.68 1ctl n LEU 45 Cb 0.41 2.16 0.00 0.00 -0.00 0.00 0.00 43.42 45.99 1ctl n LEU 45 CO 0.61 -0.45 0.00 -1.84 -0.00 0.00 0.00 177.39 175.71 1ctl n GLU 46 N -0.39 0.00 0.00 1.47 0.00 -1.26 -4.25 120.64 116.21 1ctl n GLU 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1ctl n GLU 46 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.81 1ctl n GLU 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ctl n SER 47 N 0.00 0.00 -0.27 -1.84 7.64 -1.26 -2.27 113.62 115.62 1ctl n SER 47 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ctl n SER 47 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -2.20 0.44 -2.24 -1.26 -4.95 114.28 104.06 1ctl n THR 48 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1ctl n THR 48 Cb 0.00 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1ctl n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ctl n THR 49 N 0.00 2.55 -4.13 4.28 -1.04 -0.96 -4.93 114.28 110.04 1ctl n THR 49 Ca 0.00 -4.51 -0.11 0.00 -2.04 0.00 0.00 64.05 57.39 1ctl n THR 49 Cb 0.54 -1.21 -0.09 0.00 -1.82 0.00 0.00 70.33 67.75 1ctl n THR 49 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1ctl s LEU 50 N -3.60 1.09 -0.13 -4.42 0.05 -1.26 0.59 118.68 110.99 1ctl s LEU 50 Ca 0.50 -1.23 -0.06 0.00 0.05 0.00 0.00 54.13 53.39 1ctl s LEU 50 Cb 0.41 0.69 0.06 0.00 -2.05 0.00 0.00 46.19 45.30 1ctl s LEU 50 CO -0.09 -0.88 0.29 0.00 -0.55 0.00 0.00 176.35 175.11 1ctl s ALA 51 N -4.10 -0.66 0.06 1.48 0.00 0.11 -4.32 121.76 114.33 1ctl s ALA 51 Ca 0.32 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.44 1ctl s ALA 51 Cb 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1ctl s ALA 51 CO 0.09 -0.39 -0.21 0.16 0.00 0.00 0.00 175.76 175.40 1ctl s ASP 52 N 1.76 2.52 0.00 0.00 -4.77 -1.26 -1.89 116.67 113.03 1ctl s ASP 52 Ca -0.05 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 48.62 1ctl s ASP 52 Cb -0.11 -0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.54 1ctl s ASP 52 CO -0.09 0.13 0.00 1.17 0.70 0.00 0.00 175.17 177.07 1ctl n LYS 53 N 1.58 0.00 -1.56 2.11 3.00 -0.60 -4.94 118.16 117.75 1ctl n LYS 53 Ca -0.18 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.94 1ctl n LYS 53 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.48 1ctl n LYS 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ctl n ASP 54 N 0.00 -5.38 0.00 3.14 5.68 -1.26 -1.81 116.55 116.91 1ctl n ASP 54 Ca 0.00 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 54.77 1ctl n ASP 54 Cb 0.00 -4.57 0.00 0.00 -1.14 0.00 0.00 41.12 35.41 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ctl n GLY 55 N -0.53 2.81 3.80 6.12 0.00 -1.26 -5.01 105.19 111.13 1ctl n GLY 55 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1ctl n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ctl s GLU 56 N -0.22 2.22 -0.22 1.61 4.04 -0.75 -4.92 118.70 120.45 1ctl s GLU 56 Ca 0.00 -2.31 -0.17 0.00 0.04 0.00 0.00 54.97 52.53 1ctl s GLU 56 Cb 0.00 -1.68 0.06 0.00 0.02 0.00 0.00 34.13 32.53 1ctl s GLU 56 CO 0.00 -0.44 0.58 0.96 -1.84 0.00 0.00 175.26 174.52 1ctl s ILE 57 N -2.85 -0.00 0.37 1.83 -4.36 -1.26 -1.56 121.20 113.36 1ctl s ILE 57 Ca 0.13 0.02 0.05 0.00 -0.26 0.00 0.00 60.65 60.58 1ctl s ILE 57 Cb 0.00 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.87 1ctl s ILE 57 CO 0.08 0.01 0.18 -0.72 0.24 0.00 0.00 174.94 174.72 1ctl s TYR 58 N 0.82 1.74 0.15 1.37 -0.85 -0.79 -3.49 117.35 116.29 1ctl s TYR 58 Ca -0.04 -1.41 0.08 0.00 -0.52 0.00 0.00 57.07 55.18 1ctl s TYR 58 Cb -0.05 -0.97 -0.04 0.00 0.38 0.00 0.00 41.96 41.28 1ctl s TYR 58 CO -0.07 -0.51 -0.10 0.00 -1.52 0.00 0.00 175.55 173.35 1ctl n LYS 60 N 0.36 1.29 0.18 0.00 4.81 0.20 -2.27 118.16 122.72 1ctl n LYS 60 Ca -0.12 -0.46 0.11 0.00 -0.87 0.00 0.00 58.31 56.97 1ctl n LYS 60 Cb 0.54 -1.49 0.58 0.00 0.02 0.00 0.00 35.03 34.68 1ctl n LYS 60 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ctl h GLY 61 N 4.93 0.00 0.00 3.14 0.00 -1.19 -0.95 103.07 109.00 1ctl h GLY 61 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1ctl h GLY 61 CO 0.00 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.58 1ctl n TYR 63 N -3.20 0.74 -0.03 0.00 4.02 -0.96 0.02 117.16 117.74 1ctl n TYR 63 Ca -0.05 0.39 -0.02 0.00 -0.01 0.00 0.00 57.90 58.21 1ctl n TYR 63 Cb 0.45 -1.12 -0.01 0.00 -0.02 0.00 0.00 39.34 38.65 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ctl n ALA 64 N -1.78 0.18 -0.31 -0.72 0.00 -0.36 -4.22 120.51 113.29 1ctl n ALA 64 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 1ctl n ALA 64 Cb 0.04 0.01 0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.39 1.14 -0.96 0.00 3.64 -0.17 -1.89 116.57 117.95 1ctl h LYS 65 Ca 0.00 -0.10 -0.37 0.00 -1.27 0.00 0.00 60.65 58.91 1ctl h LYS 65 Cb 0.20 -0.24 -0.22 0.00 -0.41 0.00 0.00 32.23 31.56 1ctl h LYS 65 CO 0.00 0.79 0.47 0.27 -2.27 0.00 0.00 179.45 178.71 1ctl n ASN 66 N -4.45 3.75 -3.76 4.20 6.94 0.10 -4.11 115.26 117.93 1ctl n ASN 66 Ca 0.09 -3.23 -0.28 0.00 -0.02 0.00 0.00 54.58 51.14 1ctl n ASN 66 Cb 0.05 -0.76 -0.12 0.00 -2.36 0.00 0.00 39.78 36.59 1ctl n ASN 66 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1ctl s PHE 67 N -2.63 2.89 0.00 -2.53 0.08 -0.71 -4.88 117.98 110.19 1ctl s PHE 67 Ca 0.46 -3.06 0.00 0.00 0.12 0.00 0.00 56.93 54.45 1ctl s PHE 67 Cb 0.38 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1ctl s PHE 67 CO 0.09 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 1ctl n GLY 68 N 2.22 0.12 2.81 4.36 0.00 -1.26 -4.94 105.19 108.51 1ctl n GLY 68 Ca 0.22 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1ctl n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ctl n PRO 69 N 0.00 -2.69 -3.87 1.61 -0.01 -1.26 -5.04 135.00 123.73 1ctl n PRO 69 Ca 0.00 -0.94 -0.21 0.00 -0.01 0.00 0.00 63.50 62.33 1ctl n PRO 69 Cb 0.00 -1.51 -0.04 0.00 -0.01 0.00 0.00 33.50 31.95 1ctl n PRO 69 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 1ctl s LYS 70 N -3.99 2.79 0.35 -0.52 2.20 -1.26 -4.99 119.74 114.32 1ctl s LYS 70 Ca 0.43 -1.22 0.07 0.00 -0.36 0.00 0.00 55.97 54.89 1ctl s LYS 70 Cb -0.08 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 1ctl s LYS 70 CO 0.36 0.17 0.24 0.41 -0.36 0.00 0.00 175.35 176.17 1ctl n GLY 71 N -1.34 3.02 0.00 5.54 0.00 -1.26 -5.12 105.19 106.04 1ctl n GLY 71 Ca -0.03 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1ctl n GLY 71 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ctl n PHE 72 N -0.72 0.00 0.00 1.61 3.72 -1.26 -5.06 117.46 115.75 1ctl n PHE 72 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1ctl n PHE 72 Cb 0.60 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1ctl n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ctl n GLY 73 N 0.03 0.68 0.03 1.37 0.00 -1.26 -4.85 105.19 101.19 1ctl n GLY 73 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.00 -0.34 1.61 3.72 -1.26 -5.14 117.46 116.05 1ctl n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ctl n PHE 74 Cb 0.00 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 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 3.05 0.35 3.06 1.37 0.00 -1.26 -5.09 105.19 106.67 1ctl n GLY 75 Ca -0.12 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 1ctl n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ctl s GLN 76 N -1.54 2.09 0.00 1.61 0.74 -1.26 -5.06 119.66 116.25 1ctl s GLN 76 Ca 0.00 -1.46 0.00 0.00 0.05 0.00 0.00 55.36 53.95 1ctl s GLN 76 Cb 0.00 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.14 1ctl s GLN 76 CO 0.00 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 1ctl n GLY 77 N 4.40 -1.24 0.04 2.59 0.00 -1.26 -4.94 105.19 104.77 1ctl n GLY 77 Ca -0.10 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 1ctl n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n ALA 78 N -1.33 0.29 0.00 4.61 0.00 -1.26 -5.13 120.51 117.69 1ctl n ALA 78 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ctl n ALA 78 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1ctl n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ctl n GLY 79 N 1.61 2.09 2.36 0.00 0.00 -1.26 -5.14 105.19 104.85 1ctl n GLY 79 Ca -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.93 -2.69 -1.00 4.61 0.00 -1.26 -5.08 120.51 114.16 1ctl n ALA 80 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 53.44 54.61 1ctl n ALA 80 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.86 1ctl n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ctl n LEU 81 N 1.67 0.00 -3.67 0.00 7.94 -1.26 -5.06 117.00 116.62 1ctl n LEU 81 Ca -0.15 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.50 1ctl n LEU 81 Cb 0.24 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.25 1ctl n LEU 81 CO 0.14 0.00 0.17 2.30 -1.11 0.00 0.00 177.39 178.89 1ctl n ILE 82 N -0.79 -3.25 0.00 1.96 -5.35 -1.26 -3.00 119.36 107.68 1ctl n ILE 82 Ca 0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1ctl n ILE 82 Cb 0.00 -3.79 0.00 0.00 -1.74 0.00 0.00 39.64 34.11 1ctl n ILE 82 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1ctl n HIS 83 N -4.75 0.00 -4.56 4.28 -0.00 -1.26 -4.80 115.22 104.13 1ctl n HIS 83 Ca -0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.42 1ctl n HIS 83 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.46 1ctl n HIS 83 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ctl s SER 84 N -3.95 3.42 0.00 0.26 0.15 -1.16 -5.26 113.70 107.16 1ctl s SER 84 Ca 0.00 -1.34 0.31 0.00 0.70 0.00 0.00 55.95 55.62 1ctl s SER 84 Cb 0.00 -0.30 1.74 0.00 -1.71 0.00 0.00 66.02 65.75 1ctl s SER 84 CO 0.00 -0.46 2.13 0.00 1.20 0.00 0.00 173.24 176.12