#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 -2.70 3.04 0.00 -1.26 -5.07 120.51 114.52 1ctl n ALA 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ctl n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.79 -1.83 -3.51 0.00 7.27 -1.26 -4.99 117.38 112.26 1ctl n GLN 3 Ca 0.00 1.77 -0.42 0.00 0.07 0.00 0.00 57.00 58.42 1ctl n GLN 3 Cb 0.00 -5.10 -0.08 0.00 2.41 0.00 0.00 30.24 27.47 1ctl n GLN 3 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1ctl s LYS 4 N -2.52 2.66 -0.39 3.69 1.02 -1.26 -5.06 119.74 117.87 1ctl s LYS 4 Ca 0.16 -1.61 -0.12 0.00 0.02 0.00 0.00 55.97 54.42 1ctl s LYS 4 Cb -0.05 -3.96 0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1ctl s LYS 4 CO 0.65 -1.12 0.25 0.08 -0.92 0.00 0.00 175.35 174.29 1ctl s VAL 5 N 1.45 4.80 0.00 3.17 1.01 -1.26 -4.89 120.40 124.68 1ctl s VAL 5 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1ctl s VAL 5 Cb -0.26 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ctl s VAL 5 CO 0.02 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1ctl n GLY 6 N 5.05 1.60 3.54 4.51 0.00 -1.26 -5.13 105.19 113.50 1ctl n GLY 6 Ca -0.11 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ctl n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ctl s GLY 7 N 0.00 1.90 0.00 -0.02 0.00 -1.26 -5.06 107.32 102.88 1ctl s GLY 7 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1ctl s GLY 7 CO 0.00 0.65 0.00 1.44 0.00 0.00 0.00 173.10 175.19 1ctl n SER 8 N 5.03 0.00 -4.53 1.64 7.64 -1.26 -5.03 113.62 117.12 1ctl n SER 8 Ca -0.14 -0.44 -0.43 0.00 1.01 0.00 0.00 58.87 58.87 1ctl n SER 8 Cb 0.51 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.00 6.32 0.00 6.43 1.01 -0.53 -4.76 116.67 124.14 1ctl s ASP 9 Ca 0.00 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 52.90 1ctl s ASP 9 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1ctl s ASP 9 CO 0.00 -1.34 0.00 0.61 0.21 0.00 0.00 175.17 174.65 1ctl n GLY 10 N 5.15 3.54 2.60 0.21 0.00 -1.26 -2.08 105.19 113.35 1ctl n GLY 10 Ca 0.02 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1ctl n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl h PRO 12 N 8.41 0.00 0.00 0.00 0.11 -1.86 -2.03 132.00 136.63 1ctl h PRO 12 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ctl h PRO 12 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ctl h PRO 12 CO 0.33 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.06 1ctl h ARG 13 N 0.00 0.00 0.00 1.05 2.47 -1.93 -3.42 114.38 112.55 1ctl h ARG 13 Ca 0.00 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 1ctl h ARG 13 Cb 0.11 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 1ctl h ARG 13 CO 0.00 0.00 -1.55 0.00 0.56 0.00 0.00 179.97 178.98 1ctl n GLY 15 N 1.51 0.82 0.00 0.00 0.00 -0.77 -5.07 105.19 101.68 1ctl n GLY 15 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.30 0.85 -3.59 1.61 6.02 -1.26 -4.97 117.38 113.74 1ctl n GLN 16 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 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 -2.64 -1.89 -0.05 -1.58 0.00 -1.26 -2.24 121.76 112.10 1ctl s ALA 17 Ca 0.00 1.70 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 1ctl s ALA 17 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1ctl s ALA 17 CO 0.00 -0.30 0.13 0.08 0.00 0.00 0.00 175.76 175.67 1ctl s VAL 18 N -0.47 -0.01 -0.07 0.00 1.01 -0.88 -4.87 120.40 115.11 1ctl s VAL 18 Ca -0.02 0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.12 1ctl s VAL 18 Cb -0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 36.38 35.98 1ctl s VAL 18 CO 0.01 0.02 0.28 0.00 0.00 0.00 0.00 175.10 175.40 1ctl n TYR 19 N 3.28 0.00 0.03 5.22 9.36 -1.26 -1.46 117.16 132.33 1ctl n TYR 19 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1ctl n TYR 19 Cb 0.57 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 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 -1.84 3.00 -0.45 2.98 0.00 -1.26 -4.84 120.51 118.09 1ctl n ALA 20 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ctl n ALA 20 Cb 0.29 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.32 -0.25 -0.01 0.00 0.00 -1.26 -4.37 120.51 111.29 1ctl n ALA 21 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ctl n ALA 21 Cb 0.17 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.32 2.13 -1.72 0.00 -0.58 -1.26 -4.96 120.64 112.94 1ctl n GLU 22 Ca 0.00 -1.43 -0.42 0.00 -0.42 0.00 0.00 57.16 54.89 1ctl n GLU 22 Cb 0.00 -1.07 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 1ctl n GLU 22 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ctl s LYS 23 N -0.83 4.14 0.38 3.49 2.20 -1.26 -0.67 119.74 127.19 1ctl s LYS 23 Ca 0.06 2.57 0.06 0.00 -0.36 0.00 0.00 55.97 58.31 1ctl s LYS 23 Cb 0.03 -3.92 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 1ctl s LYS 23 CO 0.04 -0.90 0.01 0.14 -0.36 0.00 0.00 175.35 174.28 1ctl s VAL 24 N 3.74 1.82 -0.08 4.02 -7.23 0.35 -4.91 120.40 118.11 1ctl s VAL 24 Ca 0.84 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.91 1ctl s VAL 24 Cb -0.43 -2.89 0.02 0.00 0.56 0.00 0.00 36.38 33.64 1ctl s VAL 24 CO 0.39 -0.03 0.21 -0.63 -0.31 0.00 0.00 175.10 174.73 1ctl s ILE 25 N -2.85 -0.00 -0.30 -0.62 1.01 -1.26 -2.15 121.20 115.03 1ctl s ILE 25 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 1ctl s ILE 25 Cb 0.09 -0.30 0.14 0.00 0.01 0.00 0.00 42.46 42.40 1ctl s ILE 25 CO 0.17 0.00 0.80 -0.83 0.00 0.00 0.00 174.94 175.08 1ctl s GLY 26 N 0.11 -0.49 -1.29 6.18 0.00 0.22 -4.95 107.32 107.12 1ctl s GLY 26 Ca -0.00 2.67 0.00 0.00 0.00 0.00 0.00 44.72 47.38 1ctl s GLY 26 CO 0.00 3.13 0.00 0.00 0.00 0.00 0.00 173.10 176.23 1ctl n ALA 27 N 5.21 -0.19 0.00 3.20 0.00 -1.26 0.56 120.51 128.03 1ctl n ALA 27 Ca -0.11 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ctl n ALA 27 Cb 0.51 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.14 2.64 3.73 0.00 0.00 -1.26 -4.87 105.19 105.29 1ctl n GLY 28 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.40 4.69 -0.28 1.61 1.02 0.19 -5.04 119.74 121.53 1ctl s LYS 29 Ca 0.00 1.47 -0.10 0.00 0.02 0.00 0.00 55.97 57.37 1ctl s LYS 29 Cb 0.00 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1ctl s LYS 29 CO 0.00 0.20 0.15 -1.12 -0.92 0.00 0.00 175.35 173.66 1ctl s SER 30 N 0.01 5.70 0.42 2.83 0.01 -1.26 -0.61 113.70 120.80 1ctl s SER 30 Ca 0.47 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.63 1ctl s SER 30 Cb -0.24 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1ctl s SER 30 CO 0.30 -0.07 0.05 0.26 0.41 0.00 0.00 173.24 174.19 1ctl s TRP 31 N 1.70 2.01 0.15 2.43 0.52 -0.91 -4.28 118.94 120.55 1ctl s TRP 31 Ca 0.07 -0.98 0.04 0.00 0.02 0.00 0.00 56.10 55.25 1ctl s TRP 31 Cb -0.16 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1ctl s TRP 31 CO 0.08 0.10 0.13 -1.01 0.02 0.00 0.00 176.95 176.27 1ctl s HIS 32 N -3.02 3.18 0.53 -1.98 3.76 -1.26 -0.49 115.29 116.01 1ctl s HIS 32 Ca 0.23 0.01 0.24 0.00 -0.15 0.00 0.00 55.06 55.39 1ctl s HIS 32 Cb 0.05 -1.54 1.52 0.00 1.11 0.00 0.00 32.58 33.72 1ctl s HIS 32 CO 0.12 0.52 2.17 1.57 -0.85 0.00 0.00 174.74 178.27 1ctl h LYS 33 N 2.56 0.00 0.00 1.40 2.10 -1.24 0.60 116.57 122.00 1ctl h LYS 33 Ca -0.47 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.08 1ctl h LYS 33 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1ctl h LYS 33 CO 0.64 0.04 -0.78 1.03 -2.00 0.00 0.00 179.45 178.38 1ctl h SER 34 N 0.00 0.00 -0.63 7.07 0.87 -1.85 -2.27 113.55 116.74 1ctl h SER 34 Ca -0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1ctl h SER 34 Cb 0.09 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.92 1ctl h SER 34 CO 0.01 0.38 0.27 0.00 -0.53 0.00 0.00 176.83 176.95 1ctl s PHE 36 N -2.51 3.41 -0.14 0.00 2.19 -0.19 -4.58 117.98 116.16 1ctl s PHE 36 Ca 0.44 -2.80 -0.01 0.00 0.33 0.00 0.00 56.93 54.89 1ctl s PHE 36 Cb 0.36 -3.16 -0.02 0.00 -1.31 0.00 0.00 43.02 38.89 1ctl s PHE 36 CO 0.11 -0.82 -0.09 -0.98 1.83 0.00 0.00 175.22 175.27 1ctl s ARG 37 N -0.23 3.47 -0.26 10.12 1.04 -1.26 -2.11 118.95 129.71 1ctl s ARG 37 Ca 0.18 -0.62 -0.28 0.00 -1.04 0.00 0.00 55.73 53.97 1ctl s ARG 37 Cb -0.20 -2.74 -0.03 0.00 -2.04 0.00 0.00 34.95 29.95 1ctl s ARG 37 CO -0.04 0.24 1.92 0.00 -0.04 0.00 0.00 175.30 177.39 1ctl n ALA 39 N 10.42 3.25 -0.53 0.00 0.00 -1.24 -1.10 120.51 131.31 1ctl n ALA 39 Ca 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1ctl n ALA 39 Cb 0.46 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.46 0.00 0.14 0.00 0.00 -1.26 -4.72 118.16 112.78 1ctl n LYS 40 Ca 0.17 0.10 0.07 0.00 0.00 0.00 0.00 58.31 58.65 1ctl n LYS 40 Cb 0.79 -0.44 0.05 0.00 0.00 0.00 0.00 35.03 35.43 1ctl n LYS 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ctl n GLY 42 N 1.20 0.72 3.80 0.00 0.00 -0.26 -5.09 105.19 105.57 1ctl n GLY 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ctl n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ctl s LYS 43 N 0.00 4.39 -0.02 1.61 -2.85 -1.20 -4.71 119.74 116.96 1ctl s LYS 43 Ca 0.00 1.09 -0.17 0.00 -1.00 0.00 0.00 55.97 55.89 1ctl s LYS 43 Cb 0.00 -2.76 -0.06 0.00 -2.06 0.00 0.00 37.83 32.96 1ctl s LYS 43 CO 0.00 0.29 0.46 -1.12 0.10 0.00 0.00 175.35 175.08 1ctl s SER 44 N -1.72 6.83 0.00 0.03 0.01 -1.26 -1.14 113.70 116.45 1ctl s SER 44 Ca 0.48 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1ctl s SER 44 Cb -0.17 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1ctl s SER 44 CO 0.21 0.23 0.00 0.00 0.41 0.00 0.00 173.24 174.09 1ctl n LEU 45 N 2.29 0.00 0.00 2.44 -0.00 -0.90 -4.91 117.00 115.92 1ctl n LEU 45 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1ctl n LEU 45 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1ctl n LEU 45 CO 0.40 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.95 1ctl n GLU 46 N 0.00 0.00 0.31 1.47 0.00 -1.26 -4.34 120.64 116.82 1ctl n GLU 46 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.35 1ctl n GLU 46 Cb 0.00 0.00 1.02 0.00 0.00 0.00 0.00 31.44 32.46 1ctl n GLU 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1ctl h SER 47 N 0.00 0.00 -2.78 -1.84 4.64 -1.98 -3.40 113.55 108.18 1ctl h SER 47 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1ctl h SER 47 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ctl h SER 47 CO 0.00 0.02 -0.28 0.28 -0.87 0.00 0.00 176.83 175.98 1ctl s THR 48 N -4.23 5.16 0.52 2.95 -1.32 -1.26 -5.08 115.64 112.39 1ctl s THR 48 Ca -0.04 -0.44 -0.09 0.00 -1.21 0.00 0.00 61.69 59.92 1ctl s THR 48 Cb 0.13 -3.79 0.14 0.00 -1.51 0.00 0.00 72.50 67.47 1ctl s THR 48 CO 0.49 -0.33 0.32 0.41 -2.21 0.00 0.00 174.62 173.29 1ctl n THR 49 N -1.14 0.00 -3.88 5.08 -1.04 -1.26 -4.74 114.28 107.30 1ctl n THR 49 Ca -0.05 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1ctl n THR 49 Cb 0.55 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 1ctl n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ctl n LEU 50 N 0.00 0.00 -2.89 -4.42 -0.00 -1.26 -0.69 117.00 107.74 1ctl n LEU 50 Ca 0.05 -1.76 -0.10 0.00 -0.00 0.00 0.00 56.01 54.21 1ctl n LEU 50 Cb 0.21 1.54 -0.01 0.00 -0.00 0.00 0.00 43.42 45.17 1ctl n LEU 50 CO 0.14 -0.40 0.03 0.00 -0.00 0.00 0.00 177.39 177.17 1ctl n ALA 51 N -1.59 -0.76 -1.93 1.47 0.00 0.10 -4.68 120.51 113.12 1ctl n ALA 51 Ca -0.08 -1.57 -0.25 0.00 0.00 0.00 0.00 53.44 51.54 1ctl n ALA 51 Cb 0.36 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1ctl n ALA 51 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ctl s ASP 52 N 0.19 4.86 0.86 0.00 -4.77 -1.26 -1.23 116.67 115.31 1ctl s ASP 52 Ca 0.31 -0.41 -0.12 0.00 -3.30 0.00 0.00 52.55 49.03 1ctl s ASP 52 Cb 0.05 -2.55 0.11 0.00 -1.09 0.00 0.00 42.92 39.44 1ctl s ASP 52 CO -0.11 -2.98 1.15 -0.75 0.70 0.00 0.00 175.17 173.18 1ctl s LYS 53 N 7.45 1.57 -0.82 2.11 2.36 0.13 -4.84 119.74 127.72 1ctl s LYS 53 Ca 0.75 0.23 -0.26 0.00 -2.55 0.00 0.00 55.97 54.15 1ctl s LYS 53 Cb -0.09 -1.89 -0.13 0.00 -1.05 0.00 0.00 37.83 34.67 1ctl s LYS 53 CO 0.03 -1.89 2.36 0.34 1.55 0.00 0.00 175.35 177.74 1ctl s ASP 54 N -4.27 3.97 0.00 1.43 2.15 -1.26 -1.36 116.67 117.34 1ctl s ASP 54 Ca 0.63 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.54 1ctl s ASP 54 Cb -0.13 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1ctl s ASP 54 CO 0.51 -3.83 0.00 0.61 -0.17 0.00 0.00 175.17 172.29 1ctl n GLY 55 N 6.79 2.39 0.64 2.66 0.00 -1.26 -5.04 105.19 111.36 1ctl n GLY 55 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.43 0.17 -3.76 1.61 1.02 -0.46 -5.03 120.64 113.75 1ctl n GLU 56 Ca 0.00 -0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 56.57 1ctl n GLU 56 Cb 0.00 0.49 -0.11 0.00 -0.02 0.00 0.00 31.44 31.80 1ctl n GLU 56 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ctl s ILE 57 N -2.70 0.00 0.24 -3.67 -4.36 -1.26 0.23 121.20 109.68 1ctl s ILE 57 Ca 0.04 -0.01 0.03 0.00 -0.26 0.00 0.00 60.65 60.45 1ctl s ILE 57 Cb -0.01 -0.45 -0.01 0.00 1.25 0.00 0.00 42.46 43.25 1ctl s ILE 57 CO 0.03 -0.00 0.11 -1.22 0.24 0.00 0.00 174.94 174.09 1ctl n TYR 58 N 2.89 -0.06 -4.23 1.37 4.01 -0.37 -3.63 117.16 117.15 1ctl n TYR 58 Ca -0.13 -1.66 -0.23 0.00 -0.16 0.00 0.00 57.90 55.73 1ctl n TYR 58 Cb 0.58 0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.59 1ctl n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ctl n LYS 60 N -0.97 0.16 0.00 0.00 0.00 0.14 -1.48 118.16 116.01 1ctl n LYS 60 Ca -0.07 0.27 0.03 0.00 0.00 0.00 0.00 58.31 58.55 1ctl n LYS 60 Cb 0.58 -1.74 0.15 0.00 0.00 0.00 0.00 35.03 34.02 1ctl n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ctl n GLY 61 N 0.61 -0.72 0.47 3.14 0.00 -1.26 -1.18 105.19 106.26 1ctl n GLY 61 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.92 0.50 -0.11 0.00 9.36 -0.92 -0.98 117.16 122.08 1ctl n TYR 63 Ca -0.08 0.26 -0.22 0.00 3.32 0.00 0.00 57.90 61.18 1ctl n TYR 63 Cb 0.57 -0.91 -0.10 0.00 -0.63 0.00 0.00 39.34 38.26 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 -1.69 0.86 0.15 2.98 0.00 -0.33 -4.30 120.51 118.19 1ctl n ALA 64 Ca -0.01 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 52.87 1ctl n ALA 64 Cb 0.03 -0.33 0.44 0.00 0.00 0.00 0.00 19.45 19.60 1ctl n ALA 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ctl n LYS 65 N -4.40 0.11 0.28 0.00 4.81 -0.15 -1.38 118.16 117.42 1ctl n LYS 65 Ca -0.35 0.58 0.19 0.00 -0.87 0.00 0.00 58.31 57.86 1ctl n LYS 65 Cb 0.69 -1.84 0.99 0.00 0.02 0.00 0.00 35.03 34.89 1ctl n LYS 65 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1ctl h ASN 66 N 0.00 0.00 0.48 3.14 -1.07 -1.56 -2.17 115.58 114.40 1ctl h ASN 66 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 1ctl h ASN 66 Cb 0.03 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.28 1ctl h ASN 66 CO 0.00 0.00 -0.86 0.15 0.07 0.00 0.00 177.43 176.79 1ctl h PHE 67 N 0.00 0.39 -3.76 4.14 3.57 -1.52 -3.42 116.94 116.35 1ctl h PHE 67 Ca 0.00 -0.21 -0.67 0.00 3.53 0.00 0.00 57.97 60.62 1ctl h PHE 67 Cb 0.07 -0.05 -0.37 0.00 2.79 0.00 0.00 35.95 38.39 1ctl h PHE 67 CO 0.00 1.00 -0.73 0.20 -2.23 0.00 0.00 178.31 176.55 1ctl s GLY 68 N -4.45 1.80 0.42 2.40 0.00 -0.82 -4.98 107.32 101.69 1ctl s GLY 68 Ca -0.04 -2.09 0.18 0.00 0.00 0.00 0.00 44.72 42.77 1ctl s GLY 68 CO 0.84 0.77 1.85 -2.55 0.00 0.00 0.00 173.10 174.01 1ctl h PRO 69 N 7.79 0.38 -7.06 2.90 0.11 -1.82 -3.44 132.00 130.86 1ctl h PRO 69 Ca -0.14 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.41 1ctl h PRO 69 Cb 1.04 -0.09 0.12 0.00 0.11 0.00 0.00 31.00 32.18 1ctl h PRO 69 CO 0.52 0.25 0.54 0.21 -0.21 0.00 0.00 178.00 179.30 1ctl s LYS 70 N -5.42 3.18 0.00 1.05 2.47 -1.26 -4.76 119.74 115.01 1ctl s LYS 70 Ca -0.08 2.01 0.00 0.00 -1.56 0.00 0.00 55.97 56.34 1ctl s LYS 70 Cb 0.23 -2.17 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 1ctl s LYS 70 CO 0.78 -1.09 0.00 0.41 0.16 0.00 0.00 175.35 175.62 1ctl n GLY 71 N 0.62 -0.68 4.01 5.54 0.00 -1.26 -5.13 105.19 108.29 1ctl n GLY 71 Ca 0.11 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 1.56 -0.03 1.61 0.08 -1.26 -5.13 117.98 114.81 1ctl s PHE 72 Ca 0.00 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.58 1ctl s PHE 72 Cb 0.00 -2.62 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1ctl s PHE 72 CO 0.00 -1.41 -0.03 0.20 -0.10 0.00 0.00 175.22 173.88 1ctl s GLY 73 N -4.69 0.31 -0.59 4.36 0.00 -1.26 -5.10 107.32 100.36 1ctl s GLY 73 Ca 0.64 -0.00 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 1ctl s GLY 73 CO 0.41 0.33 0.78 -0.12 0.00 0.00 0.00 173.10 174.51 1ctl s PHE 74 N 0.68 2.90 -0.42 1.90 5.36 -1.26 -4.93 117.98 122.21 1ctl s PHE 74 Ca -0.08 -0.66 0.07 0.00 -0.96 0.00 0.00 56.93 55.30 1ctl s PHE 74 Cb -0.11 -3.98 0.23 0.00 -0.34 0.00 0.00 43.02 38.82 1ctl s PHE 74 CO -0.01 -1.34 0.59 0.41 -1.46 0.00 0.00 175.22 173.41 1ctl n GLY 75 N 5.25 1.88 0.41 13.12 0.00 -1.26 -4.90 105.19 119.70 1ctl n GLY 75 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1ctl n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ctl n GLN 76 N 1.80 0.00 -3.95 1.61 6.02 -1.26 -5.11 117.38 116.50 1ctl n GLN 76 Ca 0.20 -0.71 -0.12 0.00 -0.01 0.00 0.00 57.00 56.35 1ctl n GLN 76 Cb 0.55 -0.39 -0.00 0.00 1.02 0.00 0.00 30.24 31.41 1ctl n GLN 76 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ctl s GLY 77 N -0.64 1.00 0.12 1.08 0.00 -1.26 -5.09 107.32 102.53 1ctl s GLY 77 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1ctl s GLY 77 CO 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 173.10 172.43 1ctl n ALA 78 N -0.57 0.00 0.00 3.20 0.00 -1.26 -5.12 120.51 116.76 1ctl n ALA 78 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ctl n ALA 78 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.13 2.49 3.15 0.00 0.00 -1.26 -5.15 105.19 103.29 1ctl n GLY 79 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -2.48 -0.24 4.61 0.00 -1.26 -5.07 121.76 117.32 1ctl s ALA 80 Ca 0.00 1.60 -0.08 0.00 0.00 0.00 0.00 51.96 53.48 1ctl s ALA 80 Cb 0.00 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.83 1ctl s ALA 80 CO 0.00 -1.49 0.16 1.28 0.00 0.00 0.00 175.76 175.71 1ctl n LEU 81 N 5.42 -6.90 -4.78 0.00 4.77 -1.26 -4.98 117.00 109.27 1ctl n LEU 81 Ca 0.00 2.00 -0.29 0.00 -0.03 0.00 0.00 56.01 57.69 1ctl n LEU 81 Cb 0.52 -3.34 0.12 0.00 -2.33 0.00 0.00 43.42 38.40 1ctl n LEU 81 CO -0.01 -3.77 0.70 -0.63 -1.33 0.00 0.00 177.39 172.35 1ctl s ILE 82 N -1.05 2.40 -0.22 -0.08 -1.09 -1.26 -5.02 121.20 114.88 1ctl s ILE 82 Ca -0.18 0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.14 1ctl s ILE 82 Cb 0.01 -2.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1ctl s ILE 82 CO 0.80 -0.17 0.73 -2.28 -1.23 0.00 0.00 174.94 172.79 1ctl s HIS 83 N -3.19 3.33 0.00 3.97 2.46 -1.26 -4.79 115.29 115.81 1ctl s HIS 83 Ca 0.63 1.02 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1ctl s HIS 83 Cb -0.15 -2.93 0.00 0.00 -0.13 0.00 0.00 32.58 29.37 1ctl s HIS 83 CO 0.54 -0.30 0.00 -1.13 -2.47 0.00 0.00 174.74 171.38 1ctl n SER 84 N 5.59 0.00 0.00 9.88 3.41 -1.26 -5.31 113.62 125.94 1ctl n SER 84 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1ctl n SER 84 Cb 0.49 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1ctl n SER 84 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55