#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 -2.96 3.04 0.00 -1.26 -5.06 120.51 114.27 1ctl n ALA 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1ctl n ALA 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1ctl n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ctl s GLN 3 N -1.67 1.34 0.00 0.00 0.74 -1.26 -4.97 119.66 113.84 1ctl s GLN 3 Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 55.36 54.96 1ctl s GLN 3 Cb 0.00 -1.20 0.00 0.00 1.10 0.00 0.00 33.01 32.91 1ctl s GLN 3 CO 0.00 0.18 0.00 1.17 -0.55 0.00 0.00 175.29 176.09 1ctl n LYS 4 N 3.21 0.00 -3.47 1.67 3.00 -1.26 -4.60 118.16 116.71 1ctl n LYS 4 Ca -0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.70 1ctl n LYS 4 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.49 1ctl n LYS 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ctl s VAL 5 N 0.00 4.55 0.00 3.15 -7.23 -1.26 -4.52 120.40 115.10 1ctl s VAL 5 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1ctl s VAL 5 Cb 0.00 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1ctl s VAL 5 CO 0.00 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 1ctl n GLY 6 N 5.02 -0.28 2.53 2.32 0.00 -1.26 -4.03 105.19 109.49 1ctl n GLY 6 Ca -0.10 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.18 1.10 1.04 -0.02 0.00 -1.26 -4.29 105.19 100.57 1ctl n GLY 7 Ca 0.00 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 2.03 -6.23 -4.34 1.61 7.64 -1.26 -4.84 113.62 108.23 1ctl n SER 8 Ca 0.18 0.62 -0.32 0.00 1.01 0.00 0.00 58.87 60.36 1ctl n SER 8 Cb 0.56 -3.29 -0.15 0.00 -1.01 0.00 0.00 64.21 60.32 1ctl n SER 8 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ctl s ASP 9 N -6.28 3.64 0.46 6.43 1.47 -0.90 -4.85 116.67 116.63 1ctl s ASP 9 Ca 0.00 -0.39 0.04 0.00 1.18 0.00 0.00 52.55 53.38 1ctl s ASP 9 Cb 0.00 -1.31 -0.04 0.00 -0.34 0.00 0.00 42.92 41.23 1ctl s ASP 9 CO 0.00 0.21 0.01 -0.83 0.68 0.00 0.00 175.17 175.24 1ctl s GLY 10 N 0.08 2.75 -0.21 2.12 0.00 -1.26 0.58 107.32 111.38 1ctl s GLY 10 Ca -0.08 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1ctl s GLY 10 CO 0.05 -2.13 -0.09 0.00 0.00 0.00 0.00 173.10 170.93 1ctl n PRO 12 N 4.67 0.05 0.00 0.00 -0.04 -1.26 -1.59 135.00 136.83 1ctl n PRO 12 Ca -0.14 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ctl n PRO 12 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1ctl n PRO 12 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ctl n ARG 13 N -1.35 0.00 -0.03 0.54 3.00 -1.26 -4.71 116.66 112.85 1ctl n ARG 13 Ca 0.02 0.19 -0.09 0.00 -0.00 0.00 0.00 57.85 57.98 1ctl n ARG 13 Cb 0.05 -0.68 -0.14 0.00 0.00 0.00 0.00 32.46 31.68 1ctl n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ctl n GLY 15 N 1.57 0.57 3.38 0.00 0.00 -0.62 -5.09 105.19 105.00 1ctl n GLY 15 Ca -0.18 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1ctl n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ctl s GLN 16 N -0.70 1.42 -0.07 1.61 0.74 -1.25 -4.92 119.66 116.49 1ctl s GLN 16 Ca 0.00 -1.56 0.03 0.00 0.05 0.00 0.00 55.36 53.88 1ctl s GLN 16 Cb 0.00 -1.45 -0.02 0.00 1.10 0.00 0.00 33.01 32.63 1ctl s GLN 16 CO 0.00 0.28 -0.14 0.00 -0.55 0.00 0.00 175.29 174.89 1ctl s ALA 17 N -2.34 2.67 -0.10 1.58 0.00 -1.26 0.28 121.76 122.60 1ctl s ALA 17 Ca 0.22 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1ctl s ALA 17 Cb -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1ctl s ALA 17 CO 0.09 0.49 -0.12 0.08 0.00 0.00 0.00 175.76 176.30 1ctl s VAL 18 N -0.49 3.18 -0.01 0.00 1.01 0.20 -4.93 120.40 119.35 1ctl s VAL 18 Ca 0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ctl s VAL 18 Cb -0.12 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 1ctl s VAL 18 CO 0.02 0.55 -0.01 0.00 0.00 0.00 0.00 175.10 175.66 1ctl n TYR 19 N 2.97 0.03 0.05 5.22 9.36 -1.26 -2.13 117.16 131.40 1ctl n TYR 19 Ca -0.18 0.01 0.01 0.00 3.32 0.00 0.00 57.90 61.07 1ctl n TYR 19 Cb 0.53 -0.17 0.06 0.00 -0.63 0.00 0.00 39.34 39.12 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 -2.45 1.05 -2.22 2.98 0.00 -1.26 -4.85 120.51 113.77 1ctl n ALA 20 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 20 Cb 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.52 -2.09 -1.55 0.00 0.00 -1.26 -4.94 120.51 109.16 1ctl n ALA 21 Ca 0.00 0.46 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 1ctl n ALA 21 Cb 0.02 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.27 1ctl n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ctl n GLU 22 N 1.71 2.02 -2.50 0.00 2.13 -1.26 -5.08 120.64 117.67 1ctl n GLU 22 Ca 0.00 -3.33 -0.13 0.00 0.66 0.00 0.00 57.16 54.36 1ctl n GLU 22 Cb 0.00 -1.86 0.01 0.00 0.27 0.00 0.00 31.44 29.87 1ctl n GLU 22 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ctl n LYS 23 N -1.07 0.97 -3.55 5.31 5.02 -1.26 0.53 118.16 124.10 1ctl n LYS 23 Ca 0.33 -1.76 -0.07 0.00 -2.02 0.00 0.00 58.31 54.79 1ctl n LYS 23 Cb 0.95 0.08 -0.02 0.00 -0.02 0.00 0.00 35.03 36.03 1ctl n LYS 23 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ctl s VAL 24 N -1.26 0.00 -0.00 -0.18 0.11 0.92 -4.48 120.40 115.51 1ctl s VAL 24 Ca 0.22 -0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1ctl s VAL 24 Cb -0.02 -1.14 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1ctl s VAL 24 CO 0.14 0.00 0.03 -0.51 -3.33 0.00 0.00 175.10 171.43 1ctl s ILE 25 N -2.97 0.05 -0.28 7.04 2.07 -1.26 -1.25 121.20 124.59 1ctl s ILE 25 Ca 0.07 -0.41 -0.21 0.00 -1.41 0.00 0.00 60.65 58.69 1ctl s ILE 25 Cb -0.01 -0.18 0.10 0.00 0.13 0.00 0.00 42.46 42.50 1ctl s ILE 25 CO -0.07 -0.22 0.85 -0.83 -1.91 0.00 0.00 174.94 172.76 1ctl s GLY 26 N -0.67 -0.36 0.00 1.50 0.00 -0.77 -4.89 107.32 102.13 1ctl s GLY 26 Ca -0.07 2.52 0.00 0.00 0.00 0.00 0.00 44.72 47.16 1ctl s GLY 26 CO -0.00 2.09 0.00 0.00 0.00 0.00 0.00 173.10 175.19 1ctl n ALA 27 N 3.15 0.00 -1.87 3.20 0.00 -1.26 -1.42 120.51 122.30 1ctl n ALA 27 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ctl n ALA 27 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.35 3.27 0.00 0.00 -1.26 -4.96 105.19 102.58 1ctl n GLY 28 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.87 0.00 1.61 3.01 -0.51 -5.10 119.74 120.62 1ctl s LYS 29 Ca 0.00 -0.85 -0.00 0.00 -1.01 0.00 0.00 55.97 54.11 1ctl s LYS 29 Cb 0.00 -1.82 -0.04 0.00 -1.01 0.00 0.00 37.83 34.96 1ctl s LYS 29 CO 0.00 0.50 0.08 -1.54 0.51 0.00 0.00 175.35 174.89 1ctl s SER 30 N -0.59 5.63 0.16 2.83 1.04 -1.26 -1.84 113.70 119.66 1ctl s SER 30 Ca 0.09 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1ctl s SER 30 Cb -0.09 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1ctl s SER 30 CO -0.01 0.27 0.33 0.26 0.98 0.00 0.00 173.24 175.07 1ctl s TRP 31 N -1.20 0.20 0.38 5.02 0.52 -0.38 -4.13 118.94 119.35 1ctl s TRP 31 Ca 0.23 -0.57 -0.25 0.00 0.02 0.00 0.00 56.10 55.53 1ctl s TRP 31 Cb -0.12 0.07 -0.09 0.00 -1.15 0.00 0.00 33.47 32.18 1ctl s TRP 31 CO 0.14 -0.74 1.08 -1.01 0.02 0.00 0.00 176.95 176.44 1ctl s HIS 32 N -3.92 3.29 0.63 -1.98 3.76 -1.26 -0.05 115.29 115.75 1ctl s HIS 32 Ca 0.12 1.64 0.40 0.00 -0.15 0.00 0.00 55.06 57.08 1ctl s HIS 32 Cb 0.02 -3.20 2.24 0.00 1.11 0.00 0.00 32.58 32.76 1ctl s HIS 32 CO -0.03 -0.73 2.33 0.87 -0.85 0.00 0.00 174.74 176.33 1ctl h LYS 33 N 2.74 0.00 -0.27 1.40 1.57 -0.14 0.52 116.57 122.39 1ctl h LYS 33 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ctl h LYS 33 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ctl h LYS 33 CO 0.63 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.96 1ctl n SER 34 N -3.30 3.68 -0.06 0.86 2.88 -1.26 -3.61 113.62 112.80 1ctl n SER 34 Ca -0.03 -2.84 0.06 0.00 -1.33 0.00 0.00 58.87 54.74 1ctl n SER 34 Cb 0.08 -0.48 0.09 0.00 -0.75 0.00 0.00 64.21 63.15 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 -2.20 3.20 -0.16 0.00 2.19 -1.01 -4.75 117.98 115.26 1ctl s PHE 36 Ca 0.21 -0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.05 1ctl s PHE 36 Cb 0.18 -2.75 0.02 0.00 -1.31 0.00 0.00 43.02 39.16 1ctl s PHE 36 CO 0.02 -0.63 -0.17 0.50 1.83 0.00 0.00 175.22 176.78 1ctl s ARG 37 N 1.94 2.59 -0.20 10.12 3.52 -1.26 -1.09 118.95 134.58 1ctl s ARG 37 Ca 0.09 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1ctl s ARG 37 Cb -0.18 -2.28 -0.07 0.00 -1.56 0.00 0.00 34.95 30.86 1ctl s ARG 37 CO 0.12 -0.20 2.17 0.00 -0.81 0.00 0.00 175.30 176.58 1ctl h ALA 39 N 13.86 1.33 -2.65 0.00 0.00 -1.89 -1.87 119.26 128.04 1ctl h ALA 39 Ca -0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ctl h ALA 39 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ctl h ALA 39 CO 0.97 0.10 0.00 1.17 0.00 0.00 0.00 179.25 181.48 1ctl n LYS 40 N -3.66 0.00 0.00 0.00 0.00 -1.26 -4.61 118.16 108.63 1ctl n LYS 40 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 58.31 58.48 1ctl n LYS 40 Cb 0.19 -0.66 0.47 0.00 0.00 0.00 0.00 35.03 35.03 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 1.46 0.48 3.47 0.00 0.00 -0.71 -5.01 105.19 104.89 1ctl n GLY 42 Ca 0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.07 3.19 -0.85 1.61 2.47 -1.25 -4.93 119.74 118.91 1ctl s LYS 43 Ca 0.00 -0.65 -0.25 0.00 -1.56 0.00 0.00 55.97 53.51 1ctl s LYS 43 Cb 0.00 -4.14 -0.03 0.00 -1.46 0.00 0.00 37.83 32.20 1ctl s LYS 43 CO 0.00 -1.58 1.86 0.45 0.16 0.00 0.00 175.35 176.24 1ctl s SER 44 N 3.20 5.34 0.23 1.43 0.15 -1.26 -2.01 113.70 120.79 1ctl s SER 44 Ca 0.23 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1ctl s SER 44 Cb -0.16 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1ctl s SER 44 CO 0.14 -2.51 0.06 0.00 1.20 0.00 0.00 173.24 172.12 1ctl n LEU 45 N 13.05 0.00 0.00 3.45 -0.00 -0.25 -4.96 117.00 128.30 1ctl n LEU 45 Ca 0.34 -1.70 0.00 0.00 -0.00 0.00 0.00 56.01 54.65 1ctl n LEU 45 Cb 0.48 0.47 0.00 0.00 -0.00 0.00 0.00 43.42 44.38 1ctl n LEU 45 CO 0.63 -0.26 0.00 1.21 -0.00 0.00 0.00 177.39 178.97 1ctl n GLU 46 N -0.54 0.00 0.45 1.47 0.00 -1.26 -4.15 120.64 116.60 1ctl n GLU 46 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.93 1ctl n GLU 46 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.69 1ctl n GLU 46 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1ctl h SER 47 N 0.00 -0.96 -3.18 4.31 0.02 -1.97 -3.40 113.55 108.37 1ctl h SER 47 Ca 0.00 0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.46 1ctl h SER 47 Cb 0.00 0.25 0.05 0.00 0.14 0.00 0.00 62.40 62.84 1ctl h SER 47 CO 0.00 -0.67 0.78 0.42 -1.14 0.00 0.00 176.83 176.23 1ctl s THR 48 N -5.41 2.74 0.88 -2.27 -4.23 -1.26 -4.97 115.64 101.12 1ctl s THR 48 Ca -0.17 0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 1ctl s THR 48 Cb 0.02 -3.37 0.23 0.00 1.34 0.00 0.00 72.50 70.71 1ctl s THR 48 CO 0.50 0.07 0.58 1.07 -0.54 0.00 0.00 174.62 176.30 1ctl n THR 49 N 2.98 0.00 -4.73 3.99 5.66 -1.26 -4.45 114.28 116.46 1ctl n THR 49 Ca 0.09 -0.08 -0.32 0.00 -3.05 0.00 0.00 64.05 60.69 1ctl n THR 49 Cb 0.40 -0.76 -0.08 0.00 -1.55 0.00 0.00 70.33 68.35 1ctl n THR 49 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1ctl s LEU 50 N 0.00 2.37 -0.30 1.09 0.05 -1.26 -0.08 118.68 120.54 1ctl s LEU 50 Ca 0.43 -1.61 -0.03 0.00 0.05 0.00 0.00 54.13 52.96 1ctl s LEU 50 Cb -0.07 -0.76 0.19 0.00 -2.05 0.00 0.00 46.19 43.50 1ctl s LEU 50 CO 0.35 -0.81 0.71 0.00 -0.55 0.00 0.00 176.35 176.05 1ctl s ALA 51 N -2.86 -2.59 0.07 1.48 0.00 0.20 -4.73 121.76 113.33 1ctl s ALA 51 Ca 0.10 1.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.64 1ctl s ALA 51 Cb 0.02 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.79 1ctl s ALA 51 CO 0.05 -1.42 0.37 0.16 0.00 0.00 0.00 175.76 174.92 1ctl s ASP 52 N 2.88 6.60 0.19 0.00 -4.77 -1.26 -0.44 116.67 119.87 1ctl s ASP 52 Ca 0.15 0.73 0.02 0.00 -3.30 0.00 0.00 52.55 50.15 1ctl s ASP 52 Cb -0.13 -2.15 -0.01 0.00 -1.09 0.00 0.00 42.92 39.54 1ctl s ASP 52 CO -0.19 0.18 0.07 1.17 0.70 0.00 0.00 175.17 177.10 1ctl n LYS 53 N 0.90 0.78 -1.64 2.11 4.81 0.27 -4.70 118.16 120.69 1ctl n LYS 53 Ca -0.08 -1.63 -0.21 0.00 -0.87 0.00 0.00 58.31 55.52 1ctl n LYS 53 Cb 0.52 0.88 -0.06 0.00 0.02 0.00 0.00 35.03 36.40 1ctl n LYS 53 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ctl s ASP 54 N -2.19 4.19 0.00 3.14 2.15 -1.26 -1.64 116.67 121.06 1ctl s ASP 54 Ca 0.10 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1ctl s ASP 54 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ctl s ASP 54 CO 0.07 -3.49 0.00 0.61 -0.17 0.00 0.00 175.17 172.18 1ctl n GLY 55 N 6.61 3.35 1.40 2.66 0.00 -1.26 -4.99 105.19 112.95 1ctl n GLY 55 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 1ctl n GLY 55 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ctl n GLU 56 N -1.41 0.54 -4.07 1.61 0.28 -0.65 -5.00 120.64 111.94 1ctl n GLU 56 Ca 0.00 -1.45 -0.13 0.00 -0.16 0.00 0.00 57.16 55.42 1ctl n GLU 56 Cb 0.00 0.94 -0.05 0.00 1.43 0.00 0.00 31.44 33.76 1ctl n GLU 56 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1ctl s ILE 57 N -2.34 0.00 -0.29 3.84 -4.36 -1.26 -0.57 121.20 116.21 1ctl s ILE 57 Ca 0.12 -1.58 -0.26 0.00 -0.26 0.00 0.00 60.65 58.67 1ctl s ILE 57 Cb 0.01 -2.53 0.19 0.00 1.25 0.00 0.00 42.46 41.37 1ctl s ILE 57 CO 0.08 0.00 1.42 -0.47 0.24 0.00 0.00 174.94 176.21 1ctl s TYR 58 N -3.36 -0.07 0.40 1.37 6.14 0.41 -3.28 117.35 118.97 1ctl s TYR 58 Ca 0.29 0.16 0.08 0.00 0.64 0.00 0.00 57.07 58.23 1ctl s TYR 58 Cb 0.00 0.48 0.00 0.00 0.42 0.00 0.00 41.96 42.87 1ctl s TYR 58 CO 0.17 -0.04 0.53 0.00 0.64 0.00 0.00 175.55 176.85 1ctl n LYS 60 N -1.78 0.16 0.01 0.00 3.00 0.88 -2.13 118.16 118.31 1ctl n LYS 60 Ca 0.06 0.08 0.03 0.00 -0.00 0.00 0.00 58.31 58.48 1ctl n LYS 60 Cb 0.59 -1.64 0.15 0.00 0.00 0.00 0.00 35.03 34.13 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 1.40 -0.71 0.66 3.14 0.00 -1.26 -0.56 105.19 107.85 1ctl n GLY 61 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1ctl n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl h TYR 63 N -0.03 0.00 0.11 0.00 0.05 -1.49 0.83 116.97 116.44 1ctl h TYR 63 Ca -0.03 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.45 1ctl h TYR 63 Cb 1.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1ctl h TYR 63 CO -0.00 0.00 -1.52 0.00 -1.05 0.00 0.00 178.16 175.58 1ctl h ALA 64 N 2.00 0.23 0.00 3.88 0.00 -0.98 -3.30 119.26 121.09 1ctl h ALA 64 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1ctl h ALA 64 Cb 0.01 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ctl h ALA 64 CO 0.00 0.91 0.00 1.17 0.00 0.00 0.00 179.25 181.33 1ctl n LYS 65 N -3.87 0.05 -1.35 0.00 0.00 0.23 -0.87 118.16 112.36 1ctl n LYS 65 Ca -0.27 0.53 -0.31 0.00 0.00 0.00 0.00 58.31 58.26 1ctl n LYS 65 Cb 0.92 -1.66 0.10 0.00 0.00 0.00 0.00 35.03 34.38 1ctl n LYS 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ctl n ASN 66 N -1.77 6.61 0.11 3.14 5.03 0.20 -4.29 115.26 124.28 1ctl n ASN 66 Ca -0.00 -3.75 -0.01 0.00 0.87 0.00 0.00 54.58 51.68 1ctl n ASN 66 Cb 0.03 -0.90 -0.01 0.00 -1.02 0.00 0.00 39.78 37.89 1ctl n ASN 66 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 1ctl h PHE 67 N 1.80 0.00 0.00 3.10 -5.15 -1.21 -3.48 116.94 111.99 1ctl h PHE 67 Ca 0.59 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.36 1ctl h PHE 67 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 1ctl h PHE 67 CO 1.41 0.71 0.00 0.41 -2.00 0.00 0.00 178.31 178.84 1ctl n GLY 68 N 1.16 0.63 3.66 6.09 0.00 -1.26 -5.05 105.19 110.42 1ctl n GLY 68 Ca 0.01 -0.69 -0.48 0.00 0.00 0.00 0.00 46.02 44.86 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 2.19 -0.01 1.61 -0.02 -1.26 -4.86 135.00 132.65 1ctl n PRO 69 Ca 0.00 0.79 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 1ctl n PRO 69 Cb 0.00 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 30.62 1ctl n PRO 69 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ctl n LYS 70 N 6.96 0.60 0.00 -0.52 4.01 -1.26 -5.00 118.16 122.95 1ctl n LYS 70 Ca 0.24 -0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1ctl n LYS 70 Cb 0.31 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 1ctl n LYS 70 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ctl n GLY 71 N 1.39 0.83 2.99 0.72 0.00 -1.26 -5.12 105.19 104.74 1ctl n GLY 71 Ca -0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1ctl n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctl s PHE 72 N 0.00 3.10 0.00 1.61 5.36 -1.26 -5.00 117.98 121.79 1ctl s PHE 72 Ca 0.00 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 53.57 1ctl s PHE 72 Cb 0.00 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 1ctl s PHE 72 CO 0.00 -0.88 0.00 0.41 -1.46 0.00 0.00 175.22 173.29 1ctl n GLY 73 N 4.46 1.50 3.79 13.12 0.00 -1.26 -4.90 105.19 121.91 1ctl n GLY 73 Ca -0.05 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1ctl n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctl s PHE 74 N 0.00 3.47 -0.18 1.61 5.36 -1.26 -4.66 117.98 122.31 1ctl s PHE 74 Ca 0.00 0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 56.35 1ctl s PHE 74 Cb 0.00 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1ctl s PHE 74 CO 0.00 0.51 0.16 0.41 -1.46 0.00 0.00 175.22 174.83 1ctl n GLY 75 N 2.68 0.43 0.23 13.12 0.00 -1.26 -4.95 105.19 115.44 1ctl n GLY 75 Ca -0.18 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1ctl n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ctl h GLN 76 N -0.16 0.00 -2.15 1.61 4.15 -1.95 -3.47 115.11 113.15 1ctl h GLN 76 Ca -0.10 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.50 1ctl h GLN 76 Cb 1.05 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.62 1ctl h GLN 76 CO 0.08 0.21 0.55 0.20 -1.93 0.00 0.00 178.83 177.94 1ctl s GLY 77 N -4.27 -0.35 0.55 2.39 0.00 -1.26 -4.96 107.32 99.41 1ctl s GLY 77 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 1ctl s GLY 77 CO 0.63 0.19 0.00 0.00 0.00 0.00 0.00 173.10 173.92 1ctl n ALA 78 N -0.35 -3.57 -1.99 3.20 0.00 -1.26 -4.97 120.51 111.57 1ctl n ALA 78 Ca -0.07 0.81 -0.22 0.00 0.00 0.00 0.00 53.44 53.97 1ctl n ALA 78 Cb 0.61 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.68 1ctl n ALA 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ctl s GLY 79 N -7.09 1.80 -0.35 0.00 0.00 -1.26 -5.00 107.32 95.41 1ctl s GLY 79 Ca 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 44.72 43.12 1ctl s GLY 79 CO 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 173.10 171.96 1ctl s ALA 80 N -2.87 2.93 -1.40 3.20 0.00 -1.26 -4.99 121.76 117.36 1ctl s ALA 80 Ca 0.61 -2.54 -0.11 0.00 0.00 0.00 0.00 51.96 49.92 1ctl s ALA 80 Cb -0.08 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.09 1ctl s ALA 80 CO 0.40 -1.71 2.21 1.28 0.00 0.00 0.00 175.76 177.95 1ctl n LEU 81 N 4.28 7.13 -1.03 0.00 7.99 -1.26 -4.86 117.00 129.26 1ctl n LEU 81 Ca 0.03 -4.42 0.13 0.00 -0.01 0.00 0.00 56.01 51.75 1ctl n LEU 81 Cb 0.42 -1.56 -0.06 0.00 -0.11 0.00 0.00 43.42 42.12 1ctl n LEU 81 CO 0.23 1.41 -0.38 -0.38 -1.51 0.00 0.00 177.39 176.76 1ctl n ILE 82 N 3.98 -0.26 -1.61 -0.08 5.41 -1.26 -4.58 119.36 120.96 1ctl n ILE 82 Ca 0.52 0.48 -0.22 0.00 1.00 0.00 0.00 62.75 64.53 1ctl n ILE 82 Cb 0.35 -0.83 -0.06 0.00 -0.71 0.00 0.00 39.64 38.40 1ctl n ILE 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1ctl s HIS 83 N -3.30 1.17 0.00 1.39 3.76 -1.26 -4.66 115.29 112.39 1ctl s HIS 83 Ca 0.00 1.75 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1ctl s HIS 83 Cb 0.00 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.16 1ctl s HIS 83 CO 0.00 -1.89 0.00 0.45 -0.85 0.00 0.00 174.74 172.45 1ctl n SER 84 N 17.40 0.00 -0.44 1.40 2.88 -1.26 -5.23 113.62 128.37 1ctl n SER 84 Ca 0.43 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1ctl n SER 84 Cb 0.47 -0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.97 1ctl n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81