#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 -1.33 -5.12 0.00 -1.26 -5.16 120.51 107.64 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ctl n ALA 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ctl n GLN 3 N -0.71 0.77 -1.29 0.00 1.13 -1.26 -4.97 117.38 111.06 1ctl n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ctl n GLN 3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1ctl n GLN 3 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ctl n LYS 4 N -0.54 -3.43 -1.47 -1.09 4.01 -1.26 -4.90 118.16 109.47 1ctl n LYS 4 Ca 0.00 2.64 -0.35 0.00 -0.51 0.00 0.00 58.31 60.09 1ctl n LYS 4 Cb 0.00 -3.25 0.09 0.00 -0.51 0.00 0.00 35.03 31.37 1ctl n LYS 4 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ctl s VAL 5 N -4.81 2.14 0.00 -0.18 0.11 -1.26 -4.66 120.40 111.73 1ctl s VAL 5 Ca 0.00 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1ctl s VAL 5 Cb 0.00 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1ctl s VAL 5 CO 0.00 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1ctl n GLY 6 N 0.60 1.56 0.00 6.54 0.00 -1.26 -5.10 105.19 107.53 1ctl n GLY 6 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.10 2.00 -0.02 0.00 -1.26 -4.21 105.19 102.80 1ctl n GLY 7 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 1ctl n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ctl n SER 8 N 0.00 -3.63 -3.61 1.61 3.41 -1.26 -4.77 113.62 105.37 1ctl n SER 8 Ca 0.00 0.97 -0.05 0.00 -0.26 0.00 0.00 58.87 59.53 1ctl n SER 8 Cb 0.00 -3.60 -0.04 0.00 -0.26 0.00 0.00 64.21 60.31 1ctl n SER 8 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ctl s ASP 9 N -0.39 -0.17 0.40 4.04 1.01 -0.94 -4.91 116.67 115.71 1ctl s ASP 9 Ca -0.10 0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.38 1ctl s ASP 9 Cb 0.01 0.15 -0.07 0.00 1.01 0.00 0.00 42.92 44.02 1ctl s ASP 9 CO 0.26 -0.18 0.03 -0.83 0.21 0.00 0.00 175.17 174.65 1ctl s GLY 10 N -1.26 2.45 -0.23 0.21 0.00 -1.26 0.58 107.32 107.80 1ctl s GLY 10 Ca 0.05 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1ctl s GLY 10 CO -0.04 -2.03 -0.02 0.00 0.00 0.00 0.00 173.10 171.01 1ctl h PRO 12 N 8.01 0.00 0.00 0.00 0.11 -1.84 -1.81 132.00 136.47 1ctl h PRO 12 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1ctl h PRO 12 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ctl h PRO 12 CO 0.40 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.06 1ctl n ARG 13 N -2.41 0.00 0.09 1.05 0.63 -1.26 -4.63 116.66 110.13 1ctl n ARG 13 Ca 0.00 0.19 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 1ctl n ARG 13 Cb 0.14 -0.76 0.22 0.00 0.45 0.00 0.00 32.46 32.50 1ctl n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ctl n GLY 15 N 1.29 0.87 3.73 0.00 0.00 -0.68 -5.08 105.19 105.32 1ctl n GLY 15 Ca 0.04 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.27 2.65 -0.00 1.61 1.11 -1.22 -4.95 119.66 117.59 1ctl s GLN 16 Ca 0.00 -1.04 0.04 0.00 0.01 0.00 0.00 55.36 54.37 1ctl s GLN 16 Cb 0.00 -2.47 -0.03 0.00 -1.01 0.00 0.00 33.01 29.49 1ctl s GLN 16 CO 0.00 0.45 -0.13 0.00 0.01 0.00 0.00 175.29 175.62 1ctl s ALA 17 N -1.85 2.78 -0.12 6.09 0.00 -1.26 0.23 121.76 127.62 1ctl s ALA 17 Ca 0.30 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1ctl s ALA 17 Cb -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ctl s ALA 17 CO 0.21 0.58 0.03 0.08 0.00 0.00 0.00 175.76 176.67 1ctl s VAL 18 N -0.88 4.58 -0.23 0.00 1.01 0.20 -4.95 120.40 120.13 1ctl s VAL 18 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1ctl s VAL 18 Cb -0.11 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1ctl s VAL 18 CO 0.04 0.56 0.02 -0.31 0.00 0.00 0.00 175.10 175.41 1ctl s TYR 19 N -0.45 3.04 -0.19 5.22 1.51 -1.26 -2.21 117.35 123.00 1ctl s TYR 19 Ca 0.09 -0.57 -0.10 0.00 -1.01 0.00 0.00 57.07 55.48 1ctl s TYR 19 Cb -0.12 -2.15 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1ctl s TYR 19 CO 0.02 -0.37 0.19 0.00 -1.11 0.00 0.00 175.55 174.28 1ctl n ALA 20 N 4.67 -3.64 -1.69 3.71 0.00 -1.26 -4.79 120.51 117.51 1ctl n ALA 20 Ca -0.17 1.95 -0.42 0.00 0.00 0.00 0.00 53.44 54.80 1ctl n ALA 20 Cb 0.51 -3.81 -0.03 0.00 0.00 0.00 0.00 19.45 16.13 1ctl n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ctl s ALA 21 N -0.78 3.72 -0.99 0.00 0.00 -1.26 -4.77 121.76 117.68 1ctl s ALA 21 Ca -0.22 1.44 0.16 0.00 0.00 0.00 0.00 51.96 53.34 1ctl s ALA 21 Cb 0.01 -3.79 0.71 0.00 0.00 0.00 0.00 23.12 20.05 1ctl s ALA 21 CO 0.74 -1.33 1.60 0.39 0.00 0.00 0.00 175.76 177.16 1ctl n GLU 22 N 6.18 3.83 -2.69 0.00 -0.58 -1.26 -4.95 120.64 121.17 1ctl n GLU 22 Ca 0.18 -2.76 -0.17 0.00 -0.42 0.00 0.00 57.16 54.00 1ctl n GLU 22 Cb 0.39 -1.95 0.06 0.00 -0.57 0.00 0.00 31.44 29.37 1ctl n GLU 22 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ctl n LYS 23 N 0.97 0.66 -3.85 3.49 -0.00 -1.26 -0.65 118.16 117.52 1ctl n LYS 23 Ca 0.25 -2.67 -0.05 0.00 -0.00 0.00 0.00 58.31 55.83 1ctl n LYS 23 Cb 0.91 -0.21 0.02 0.00 -0.00 0.00 0.00 35.03 35.76 1ctl n LYS 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ctl s VAL 24 N -2.08 0.00 0.00 0.58 0.11 0.31 -4.57 120.40 114.76 1ctl s VAL 24 Ca 0.52 -0.75 -0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1ctl s VAL 24 Cb -0.04 -2.90 -0.00 0.00 -1.53 0.00 0.00 36.38 31.90 1ctl s VAL 24 CO 0.33 0.00 -0.01 0.27 -3.33 0.00 0.00 175.10 172.37 1ctl s ILE 25 N -2.20 0.03 -0.24 7.04 -4.36 -1.26 -2.07 121.20 118.14 1ctl s ILE 25 Ca 0.19 -0.21 -0.06 0.00 -0.26 0.00 0.00 60.65 60.31 1ctl s ILE 25 Cb -0.04 -0.07 0.12 0.00 1.25 0.00 0.00 42.46 43.72 1ctl s ILE 25 CO 0.08 -0.11 0.48 -0.83 0.24 0.00 0.00 174.94 174.79 1ctl s GLY 26 N -0.34 -0.51 0.00 6.27 0.00 -0.42 -5.00 107.32 107.33 1ctl s GLY 26 Ca -0.04 1.62 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1ctl s GLY 26 CO -0.00 2.69 0.00 0.00 0.00 0.00 0.00 173.10 175.79 1ctl n ALA 27 N 5.40 0.00 0.00 3.20 0.00 -1.26 -0.89 120.51 126.96 1ctl n ALA 27 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ctl n ALA 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.11 3.86 0.00 0.00 -1.26 -5.08 105.19 102.81 1ctl n GLY 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.82 3.91 -0.01 1.61 1.02 -0.07 -5.09 119.74 120.29 1ctl s LYS 29 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1ctl s LYS 29 Cb 0.00 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1ctl s LYS 29 CO 0.00 0.28 0.05 -1.12 -0.92 0.00 0.00 175.35 173.63 1ctl s SER 30 N -2.25 5.46 0.03 2.83 0.01 -1.26 -1.30 113.70 117.23 1ctl s SER 30 Ca 0.49 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1ctl s SER 30 Cb -0.11 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.59 1ctl s SER 30 CO 0.20 0.28 0.04 0.79 0.41 0.00 0.00 173.24 174.96 1ctl n TRP 31 N 1.33 -0.32 -3.88 2.43 7.02 -0.88 -4.05 117.44 119.09 1ctl n TRP 31 Ca -0.14 -0.24 -0.21 0.00 -1.02 0.00 0.00 57.50 55.89 1ctl n TRP 31 Cb 0.53 0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 29.43 1ctl n TRP 31 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1ctl s HIS 32 N -3.57 3.21 0.18 -5.99 3.76 -1.26 -0.53 115.29 111.08 1ctl s HIS 32 Ca 0.03 -0.13 -0.32 0.00 -0.15 0.00 0.00 55.06 54.50 1ctl s HIS 32 Cb 0.00 -1.65 -0.11 0.00 1.11 0.00 0.00 32.58 31.94 1ctl s HIS 32 CO 0.02 0.33 1.64 0.15 -0.85 0.00 0.00 174.74 176.03 1ctl s LYS 33 N -3.98 4.18 -0.37 1.40 3.01 0.18 -0.94 119.74 123.21 1ctl s LYS 33 Ca 0.37 2.46 0.00 0.00 -1.01 0.00 0.00 55.97 57.79 1ctl s LYS 33 Cb -0.08 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.59 1ctl s LYS 33 CO 0.28 -0.67 0.00 -1.13 0.51 0.00 0.00 175.35 174.34 1ctl n SER 34 N 4.07 -4.56 -0.02 2.83 3.41 -1.26 -4.66 113.62 113.44 1ctl n SER 34 Ca 0.15 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1ctl n SER 34 Cb 0.37 -2.36 -0.17 0.00 -0.26 0.00 0.00 64.21 61.79 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 -3.43 1.23 -0.41 0.00 0.08 -0.98 -4.88 117.98 109.59 1ctl s PHE 36 Ca -0.08 1.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.99 1ctl s PHE 36 Cb 0.13 -3.80 0.11 0.00 -0.57 0.00 0.00 43.02 38.89 1ctl s PHE 36 CO 0.90 -3.08 0.20 1.03 -0.10 0.00 0.00 175.22 174.17 1ctl s ARG 37 N 7.23 2.03 -0.10 0.44 1.81 -1.26 -1.93 118.95 127.17 1ctl s ARG 37 Ca 0.94 -1.80 -0.29 0.00 -1.72 0.00 0.00 55.73 52.86 1ctl s ARG 37 Cb -0.23 -3.58 -0.06 0.00 -0.45 0.00 0.00 34.95 30.64 1ctl s ARG 37 CO 0.29 -1.06 1.93 0.00 -0.68 0.00 0.00 175.30 175.78 1ctl n ALA 39 N 8.81 6.15 0.02 0.00 0.00 -1.22 -0.65 120.51 133.61 1ctl n ALA 39 Ca 0.22 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1ctl n ALA 39 Cb 0.43 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.44 0.00 0.02 0.00 0.00 -1.26 -4.64 118.16 111.84 1ctl n LYS 40 Ca 0.53 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.96 1ctl n LYS 40 Cb 0.55 -0.23 0.08 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 1.41 0.64 3.67 0.00 0.00 0.17 -5.05 105.19 106.04 1ctl n GLY 42 Ca 0.03 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.06 2.55 0.29 1.61 2.20 -0.36 -4.92 119.74 120.05 1ctl s LYS 43 Ca 0.00 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 1ctl s LYS 43 Cb 0.00 -2.54 -0.10 0.00 -1.51 0.00 0.00 37.83 33.68 1ctl s LYS 43 CO 0.00 0.55 1.23 -1.54 -0.36 0.00 0.00 175.35 175.23 1ctl s SER 44 N -2.15 6.98 0.00 1.43 1.04 -1.26 -1.93 113.70 117.80 1ctl s SER 44 Ca 0.24 2.49 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1ctl s SER 44 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1ctl s SER 44 CO 0.16 -0.39 0.00 0.18 0.98 0.00 0.00 173.24 174.18 1ctl n LEU 45 N 1.23 0.00 0.00 2.42 4.77 -0.81 -4.93 117.00 119.68 1ctl n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ctl n LEU 45 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ctl n LEU 45 CO 0.57 -0.15 0.00 1.21 -1.33 0.00 0.00 177.39 177.69 1ctl n GLU 46 N -0.30 2.79 -0.05 3.23 2.13 -1.26 -4.26 120.64 122.92 1ctl n GLU 46 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1ctl n GLU 46 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 1ctl n GLU 46 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ctl n SER 47 N -0.56 1.35 -2.52 4.31 3.41 -1.26 -4.47 113.62 113.88 1ctl n SER 47 Ca 0.00 0.14 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1ctl n SER 47 Cb 0.00 -0.19 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1ctl n SER 47 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ctl n THR 48 N -3.18 1.00 -3.36 6.66 5.66 -1.26 -4.92 114.28 114.88 1ctl n THR 48 Ca -0.31 -2.51 -0.25 0.00 -3.05 0.00 0.00 64.05 57.93 1ctl n THR 48 Cb 1.06 1.20 -0.10 0.00 -1.55 0.00 0.00 70.33 70.95 1ctl n THR 48 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ctl s THR 49 N -2.96 0.13 0.19 1.09 -4.23 -1.26 -5.03 115.64 103.56 1ctl s THR 49 Ca 0.29 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1ctl s THR 49 Cb 0.34 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 73.12 1ctl s THR 49 CO -0.07 -1.03 0.45 -1.48 -0.54 0.00 0.00 174.62 171.95 1ctl s LEU 50 N 0.50 0.34 -0.16 4.79 0.05 -1.26 -1.98 118.68 120.96 1ctl s LEU 50 Ca 0.27 -0.61 -0.04 0.00 0.05 0.00 0.00 54.13 53.80 1ctl s LEU 50 Cb -0.05 1.86 0.08 0.00 -2.05 0.00 0.00 46.19 46.03 1ctl s LEU 50 CO -0.12 -1.01 0.26 0.00 -0.55 0.00 0.00 176.35 174.92 1ctl s ALA 51 N -3.91 -0.50 0.37 1.48 0.00 0.60 -4.30 121.76 115.51 1ctl s ALA 51 Ca 0.12 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1ctl s ALA 51 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1ctl s ALA 51 CO -0.02 -0.87 0.58 0.16 0.00 0.00 0.00 175.76 175.61 1ctl s ASP 52 N 2.40 6.19 0.00 0.00 1.47 -1.26 -1.61 116.67 123.86 1ctl s ASP 52 Ca 0.04 0.42 0.00 0.00 1.18 0.00 0.00 52.55 54.19 1ctl s ASP 52 Cb -0.13 -1.92 0.00 0.00 -0.34 0.00 0.00 42.92 40.53 1ctl s ASP 52 CO -0.10 -0.39 0.00 1.17 0.68 0.00 0.00 175.17 176.53 1ctl n LYS 53 N -1.86 0.00 -1.26 2.11 0.00 0.25 -4.92 118.16 112.47 1ctl n LYS 53 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.19 1ctl n LYS 53 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 1ctl n LYS 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ctl n ASP 54 N 0.00 -5.47 0.00 3.14 2.03 -1.26 -1.62 116.55 113.37 1ctl n ASP 54 Ca 0.00 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1ctl n ASP 54 Cb 0.00 -3.76 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ctl n GLY 55 N -0.02 2.93 3.93 0.27 0.00 -1.26 -5.02 105.19 106.01 1ctl n GLY 55 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.95 2.57 -0.13 1.61 -1.05 -0.64 -5.03 118.70 115.08 1ctl s GLU 56 Ca 0.00 -1.51 -0.10 0.00 -0.15 0.00 0.00 54.97 53.21 1ctl s GLU 56 Cb 0.00 -2.48 0.04 0.00 -0.44 0.00 0.00 34.13 31.25 1ctl s GLU 56 CO 0.00 -0.31 0.32 0.96 0.95 0.00 0.00 175.26 177.18 1ctl s ILE 57 N -2.48 -0.01 0.38 1.83 -4.36 -1.26 -0.59 121.20 114.71 1ctl s ILE 57 Ca 0.50 0.03 0.04 0.00 -0.26 0.00 0.00 60.65 60.96 1ctl s ILE 57 Cb -0.05 -0.46 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 1ctl s ILE 57 CO 0.30 0.01 0.06 -0.72 0.24 0.00 0.00 174.94 174.83 1ctl s TYR 58 N 0.47 2.00 0.04 1.37 1.13 -0.63 -3.40 117.35 118.33 1ctl s TYR 58 Ca -0.02 -0.98 0.03 0.00 -1.41 0.00 0.00 57.07 54.69 1ctl s TYR 58 Cb -0.04 -1.38 -0.04 0.00 -1.10 0.00 0.00 41.96 39.40 1ctl s TYR 58 CO -0.02 0.04 -0.01 0.00 -2.51 0.00 0.00 175.55 173.04 1ctl n LYS 60 N 1.02 0.01 0.00 0.00 4.81 -0.84 -1.69 118.16 121.48 1ctl n LYS 60 Ca -0.13 0.26 0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1ctl n LYS 60 Cb 0.52 -1.50 0.35 0.00 0.02 0.00 0.00 35.03 34.42 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 -0.06 -0.53 1.13 3.14 0.00 -1.18 -0.90 105.19 106.79 1ctl n GLY 61 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.94 0.38 -0.03 0.00 4.19 -0.94 -0.04 117.16 117.77 1ctl n TYR 63 Ca 0.00 0.20 -0.03 0.00 3.31 0.00 0.00 57.90 61.38 1ctl n TYR 63 Cb 0.43 -0.81 -0.01 0.00 0.49 0.00 0.00 39.34 39.44 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ctl n ALA 64 N -1.64 0.28 0.29 2.98 0.00 -0.08 -1.72 120.51 120.61 1ctl n ALA 64 Ca -0.01 -0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.21 1ctl n ALA 64 Cb 0.02 0.01 0.85 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.44 0.00 0.00 0.00 1.63 -0.50 -0.93 116.57 116.33 1ctl h LYS 65 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ctl h LYS 65 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1ctl h LYS 65 CO 0.00 0.03 -0.04 -1.71 -3.45 0.00 0.00 179.45 174.28 1ctl n ASN 66 N -3.90 2.02 -1.32 4.20 5.15 0.94 -4.97 115.26 117.38 1ctl n ASN 66 Ca -0.03 -2.71 -0.17 0.00 -0.60 0.00 0.00 54.58 51.07 1ctl n ASN 66 Cb 0.11 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 38.98 1ctl n ASN 66 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ctl n PHE 67 N -1.08 0.00 0.00 1.20 3.01 -0.35 -3.48 117.46 116.75 1ctl n PHE 67 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1ctl n PHE 67 Cb 0.56 -3.17 0.00 0.00 -0.01 0.00 0.00 39.48 36.86 1ctl n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ctl n GLY 68 N -0.30 2.10 3.25 1.37 0.00 -0.70 -4.90 105.19 106.01 1ctl n GLY 68 Ca -0.17 -0.70 -0.29 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 -2.26 -0.10 1.61 -0.02 -1.23 -4.66 135.00 128.34 1ctl n PRO 69 Ca 0.00 -0.65 -0.17 0.00 -2.02 0.00 0.00 63.50 60.66 1ctl n PRO 69 Cb 0.00 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 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 -2.90 0.54 0.00 -0.52 5.02 -1.26 -4.89 118.16 114.14 1ctl n LYS 70 Ca 0.03 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1ctl n LYS 70 Cb 0.56 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1ctl n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ctl n GLY 71 N 1.42 2.74 3.69 0.72 0.00 -1.26 -5.10 105.19 107.39 1ctl n GLY 71 Ca -0.29 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.02 2.69 0.00 1.61 0.40 -1.26 -5.12 117.98 114.27 1ctl s PHE 72 Ca 0.00 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1ctl s PHE 72 Cb 0.00 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1ctl s PHE 72 CO 0.00 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.80 1ctl n GLY 73 N -1.03 1.37 0.05 4.36 0.00 -1.26 -4.95 105.19 103.72 1ctl n GLY 73 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1ctl n GLY 73 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ctl n PHE 74 N 0.00 0.39 0.00 1.61 -1.74 -1.26 -5.04 117.46 111.42 1ctl n PHE 74 Ca 0.00 0.11 0.00 0.00 -0.56 0.00 0.00 57.45 57.00 1ctl n PHE 74 Cb 0.00 -0.54 0.00 0.00 1.52 0.00 0.00 39.48 40.46 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ctl n GLY 75 N 1.38 -0.42 3.31 4.97 0.00 -1.26 -5.03 105.19 108.14 1ctl n GLY 75 Ca 0.04 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 1ctl n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ctl s GLN 76 N 0.00 3.19 0.00 1.61 -0.21 -1.26 -5.00 119.66 118.00 1ctl s GLN 76 Ca 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 55.36 53.40 1ctl s GLN 76 Cb 0.00 -4.33 0.00 0.00 1.00 0.00 0.00 33.01 29.68 1ctl s GLN 76 CO 0.00 -1.31 0.00 0.41 -2.12 0.00 0.00 175.29 172.27 1ctl n GLY 77 N 4.77 0.84 2.39 3.09 0.00 -1.26 -4.82 105.19 110.21 1ctl n GLY 77 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.00 -0.53 -1.03 4.61 0.00 -1.26 -4.66 120.51 114.63 1ctl n ALA 78 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ctl n ALA 78 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.96 -4.29 1.78 0.00 0.00 -1.26 -5.05 105.19 95.41 1ctl n GLY 79 Ca -0.22 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 0.13 -0.56 -4.08 4.61 0.00 -1.26 -5.16 120.51 114.19 1ctl n ALA 80 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.89 1ctl n ALA 80 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1ctl n ALA 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ctl n LEU 81 N -0.43 0.00 -2.72 0.00 -0.00 -1.26 -5.10 117.00 107.49 1ctl n LEU 81 Ca -0.05 -2.61 -0.07 0.00 -0.00 0.00 0.00 56.01 53.27 1ctl n LEU 81 Cb 0.60 0.06 0.06 0.00 -0.00 0.00 0.00 43.42 44.14 1ctl n LEU 81 CO -0.05 -0.51 0.33 0.00 -0.00 0.00 0.00 177.39 177.17 1ctl n ILE 82 N -1.49 0.00 0.11 1.47 0.13 -1.26 -5.02 119.36 113.30 1ctl n ILE 82 Ca -0.07 -1.25 0.00 0.00 -1.10 0.00 0.00 62.75 60.34 1ctl n ILE 82 Cb 0.56 1.37 0.00 0.00 -0.84 0.00 0.00 39.64 40.73 1ctl n ILE 82 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 1ctl n HIS 83 N 1.53 -1.84 -3.42 9.51 8.25 -1.26 -5.15 115.22 122.83 1ctl n HIS 83 Ca 0.06 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1ctl n HIS 83 Cb 0.66 0.48 0.00 0.00 1.12 0.00 0.00 29.99 32.25 1ctl n HIS 83 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ctl n SER 84 N -3.33 0.01 0.00 0.41 3.41 -1.26 -5.34 113.62 107.52 1ctl n SER 84 Ca 0.00 -0.42 0.01 0.00 -0.26 0.00 0.00 58.87 58.20 1ctl n SER 84 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1ctl n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88