#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 -1.32 -2.21 3.17 0.00 -1.26 -4.72 120.51 114.17 1ctl n ALA 2 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1ctl n ALA 2 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.81 3.92 -0.07 0.00 0.00 -1.26 -5.03 119.66 116.41 1ctl s GLN 3 Ca 0.00 0.55 -0.01 0.00 -0.00 0.00 0.00 55.36 55.90 1ctl s GLN 3 Cb 0.00 -2.47 0.03 0.00 0.00 0.00 0.00 33.01 30.56 1ctl s GLN 3 CO 0.00 0.16 -0.02 -1.59 0.00 0.00 0.00 175.29 173.84 1ctl s LYS 4 N -3.09 0.75 -0.30 9.60 -2.85 -1.26 -5.10 119.74 117.49 1ctl s LYS 4 Ca 0.52 0.01 -0.06 0.00 -1.00 0.00 0.00 55.97 55.45 1ctl s LYS 4 Cb -0.10 -0.98 0.16 0.00 -2.06 0.00 0.00 37.83 34.84 1ctl s LYS 4 CO 0.20 -0.23 0.62 0.54 0.10 0.00 0.00 175.35 176.58 1ctl s VAL 5 N 1.62 -0.99 0.00 1.79 0.11 -1.26 -4.92 120.40 116.75 1ctl s VAL 5 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ctl s VAL 5 Cb -0.13 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1ctl s VAL 5 CO -0.04 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 1ctl n GLY 6 N 5.44 -1.08 0.00 6.54 0.00 -1.26 -5.06 105.19 109.76 1ctl n GLY 6 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 2.21 2.51 -0.02 0.00 -1.26 -4.96 105.19 103.67 1ctl n GLY 7 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 1.91 2.52 -1.66 1.61 3.41 -1.26 -4.89 113.62 115.26 1ctl n SER 8 Ca 0.00 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1ctl n SER 8 Cb 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1ctl n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ctl n ASP 9 N -1.59 0.29 -3.67 4.04 8.00 -0.93 -4.79 116.55 117.90 1ctl n ASP 9 Ca -0.07 -0.83 0.01 0.00 0.71 0.00 0.00 54.79 54.61 1ctl n ASP 9 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1ctl n ASP 9 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ctl s GLY 10 N -1.68 -0.27 -0.16 0.44 0.00 -1.26 -1.78 107.32 102.61 1ctl s GLY 10 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.06 1ctl s GLY 10 CO 0.00 2.02 0.04 0.00 0.00 0.00 0.00 173.10 175.17 1ctl h PRO 12 N 8.31 0.00 0.00 0.00 0.11 -1.90 -1.12 132.00 137.41 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 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ctl h PRO 12 CO 0.30 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.96 1ctl n ARG 13 N -2.52 0.00 0.04 1.05 3.00 -1.26 -4.65 116.66 112.32 1ctl n ARG 13 Ca -0.02 0.25 -0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1ctl n ARG 13 Cb 0.23 -0.73 -0.07 0.00 0.00 0.00 0.00 32.46 31.88 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 1.38 0.73 3.24 0.00 0.00 -0.42 -5.09 105.19 105.04 1ctl n GLY 15 Ca -0.08 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.09 1.43 -0.01 1.61 -1.52 -1.24 -4.91 119.66 112.92 1ctl s GLN 16 Ca 0.00 -0.90 -0.10 0.00 -1.95 0.00 0.00 55.36 52.41 1ctl s GLN 16 Cb 0.00 -1.51 -0.05 0.00 -0.22 0.00 0.00 33.01 31.23 1ctl s GLN 16 CO 0.00 0.39 0.30 0.00 -0.25 0.00 0.00 175.29 175.73 1ctl s ALA 17 N -0.74 3.79 -0.12 6.09 0.00 -1.26 -0.94 121.76 128.58 1ctl s ALA 17 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1ctl s ALA 17 Cb -0.09 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1ctl s ALA 17 CO 0.01 0.57 -0.02 0.08 0.00 0.00 0.00 175.76 176.40 1ctl s VAL 18 N -1.18 4.06 0.00 0.00 1.01 -0.73 -4.90 120.40 118.66 1ctl s VAL 18 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1ctl s VAL 18 Cb -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1ctl s VAL 18 CO 0.13 0.55 0.62 -1.22 0.00 0.00 0.00 175.10 175.18 1ctl n TYR 19 N 2.80 0.00 0.00 5.22 4.01 -1.26 -2.19 117.16 125.74 1ctl n TYR 19 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1ctl n TYR 19 Cb 0.53 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ctl n ALA 20 N -1.01 0.00 -3.49 -0.72 0.00 -1.26 -4.54 120.51 109.48 1ctl n ALA 20 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ctl n ALA 20 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.70 -2.79 -0.25 0.00 0.00 -1.26 -4.13 121.76 109.62 1ctl s ALA 21 Ca 0.00 1.97 0.15 0.00 0.00 0.00 0.00 51.96 54.08 1ctl s ALA 21 Cb 0.00 -2.04 0.38 0.00 0.00 0.00 0.00 23.12 21.46 1ctl s ALA 21 CO 0.00 -0.57 1.28 0.39 0.00 0.00 0.00 175.76 176.86 1ctl n GLU 22 N 3.78 2.45 -2.87 0.00 -0.58 -1.26 -5.08 120.64 117.08 1ctl n GLU 22 Ca -0.14 -2.53 -0.19 0.00 -0.42 0.00 0.00 57.16 53.88 1ctl n GLU 22 Cb 0.56 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.42 2.67 0.00 3.49 2.36 -1.26 0.97 119.74 125.56 1ctl s LYS 23 Ca 0.33 -1.09 -0.28 0.00 -2.55 0.00 0.00 55.97 52.37 1ctl s LYS 23 Cb 0.26 -2.65 0.09 0.00 -1.05 0.00 0.00 37.83 34.49 1ctl s LYS 23 CO 0.07 -0.49 0.79 0.54 1.55 0.00 0.00 175.35 177.82 1ctl s VAL 24 N -2.53 0.00 -0.06 4.02 0.11 0.20 -4.63 120.40 117.50 1ctl s VAL 24 Ca 0.56 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.59 1ctl s VAL 24 Cb -0.10 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1ctl s VAL 24 CO 0.35 0.00 0.06 -0.51 -3.33 0.00 0.00 175.10 171.68 1ctl s ILE 25 N -2.62 -0.09 0.46 7.04 1.10 -1.26 0.33 121.20 126.17 1ctl s ILE 25 Ca 0.00 0.31 0.07 0.00 -0.51 0.00 0.00 60.65 60.53 1ctl s ILE 25 Cb -0.01 -0.24 0.03 0.00 0.15 0.00 0.00 42.46 42.39 1ctl s ILE 25 CO -0.05 0.10 0.63 -0.83 -2.11 0.00 0.00 174.94 172.69 1ctl s GLY 26 N 2.16 1.90 0.22 1.50 0.00 0.20 -4.87 107.32 108.42 1ctl s GLY 26 Ca 0.04 -1.70 0.16 0.00 0.00 0.00 0.00 44.72 43.22 1ctl s GLY 26 CO -0.04 -1.46 1.48 0.00 0.00 0.00 0.00 173.10 173.08 1ctl n ALA 27 N -1.98 1.12 0.00 3.20 0.00 -1.26 -1.40 120.51 120.19 1ctl n ALA 27 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ctl n ALA 27 Cb 0.59 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.17 0.13 3.08 0.00 0.00 -1.22 -4.55 105.19 101.46 1ctl n GLY 28 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.12 0.58 0.07 1.61 1.02 -0.49 -5.05 119.74 116.36 1ctl s LYS 29 Ca 0.00 -1.10 0.09 0.00 0.02 0.00 0.00 55.97 54.98 1ctl s LYS 29 Cb 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.48 1ctl s LYS 29 CO 0.00 -0.11 -0.24 -1.54 -0.92 0.00 0.00 175.35 172.53 1ctl s SER 30 N -2.68 2.95 0.33 2.83 1.04 -1.26 0.58 113.70 117.48 1ctl s SER 30 Ca 0.03 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1ctl s SER 30 Cb 0.05 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1ctl s SER 30 CO -0.09 0.19 0.42 0.26 0.98 0.00 0.00 173.24 175.01 1ctl s TRP 31 N -0.90 1.13 0.48 5.02 0.52 0.15 -4.05 118.94 121.29 1ctl s TRP 31 Ca 0.11 -1.32 -0.08 0.00 0.02 0.00 0.00 56.10 54.83 1ctl s TRP 31 Cb -0.10 -0.19 -0.05 0.00 -1.15 0.00 0.00 33.47 31.99 1ctl s TRP 31 CO 0.03 -1.06 0.82 -1.01 0.02 0.00 0.00 176.95 175.75 1ctl s HIS 32 N -3.24 3.54 0.56 -1.98 3.76 -1.26 0.58 115.29 117.25 1ctl s HIS 32 Ca 0.32 0.96 0.26 0.00 -0.15 0.00 0.00 55.06 56.45 1ctl s HIS 32 Cb 0.00 -2.41 1.65 0.00 1.11 0.00 0.00 32.58 32.94 1ctl s HIS 32 CO 0.20 -0.29 2.22 1.57 -0.85 0.00 0.00 174.74 177.59 1ctl h LYS 33 N 0.47 0.00 -0.10 1.40 5.09 0.35 -2.42 116.57 121.35 1ctl h LYS 33 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1ctl h LYS 33 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.53 1ctl h LYS 33 CO 0.62 0.01 0.00 -1.13 -2.09 0.00 0.00 179.45 176.86 1ctl n SER 34 N -4.02 2.82 -0.03 7.07 3.41 -1.26 -3.98 113.62 117.63 1ctl n SER 34 Ca -0.03 -2.90 0.04 0.00 -0.26 0.00 0.00 58.87 55.72 1ctl n SER 34 Cb 0.09 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.79 3.05 -0.10 0.00 2.19 -1.15 -4.76 117.98 115.42 1ctl s PHE 36 Ca 0.14 -0.25 0.01 0.00 0.33 0.00 0.00 56.93 57.16 1ctl s PHE 36 Cb 0.12 -3.42 0.02 0.00 -1.31 0.00 0.00 43.02 38.43 1ctl s PHE 36 CO 0.01 -0.94 -0.13 -0.98 1.83 0.00 0.00 175.22 175.01 1ctl s ARG 37 N 2.77 1.98 -0.33 10.12 1.70 -1.26 -1.43 118.95 132.51 1ctl s ARG 37 Ca 0.20 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.69 1ctl s ARG 37 Cb -0.16 -1.72 -0.07 0.00 -0.57 0.00 0.00 34.95 32.43 1ctl s ARG 37 CO 0.16 -0.08 2.28 0.00 -1.08 0.00 0.00 175.30 176.58 1ctl h ALA 39 N 15.45 1.35 -1.91 0.00 0.00 -1.89 -2.04 119.26 130.21 1ctl h ALA 39 Ca -0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ctl h ALA 39 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ctl h ALA 39 CO 1.03 0.09 0.00 1.17 0.00 0.00 0.00 179.25 181.54 1ctl n LYS 40 N -3.69 0.00 0.18 0.00 0.00 -1.26 -4.63 118.16 108.76 1ctl n LYS 40 Ca -0.02 0.18 0.13 0.00 0.00 0.00 0.00 58.31 58.60 1ctl n LYS 40 Cb 0.18 -0.70 0.29 0.00 0.00 0.00 0.00 35.03 34.80 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 1.09 0.76 3.51 0.00 0.00 -0.77 -5.03 105.19 104.74 1ctl n GLY 42 Ca 0.04 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.68 3.29 -0.47 1.61 -0.14 -1.25 -4.94 119.74 117.15 1ctl s LYS 43 Ca 0.00 -0.37 -0.28 0.00 -1.36 0.00 0.00 55.97 53.96 1ctl s LYS 43 Cb 0.00 -3.99 0.01 0.00 -1.68 0.00 0.00 37.83 32.16 1ctl s LYS 43 CO 0.00 -1.16 1.49 -1.12 -0.76 0.00 0.00 175.35 173.80 1ctl s SER 44 N 2.31 6.13 0.10 2.83 0.01 -1.26 -1.91 113.70 121.91 1ctl s SER 44 Ca 0.25 0.64 0.02 0.00 1.31 0.00 0.00 55.95 58.17 1ctl s SER 44 Cb -0.14 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1ctl s SER 44 CO 0.19 -1.64 0.08 0.00 0.41 0.00 0.00 173.24 172.28 1ctl n LEU 45 N 9.56 0.00 0.00 2.44 -0.00 -0.51 -4.97 117.00 123.51 1ctl n LEU 45 Ca 0.16 -0.93 -0.25 0.00 -0.00 0.00 0.00 56.01 54.99 1ctl n LEU 45 Cb 0.49 0.46 -0.05 0.00 -0.00 0.00 0.00 43.42 44.31 1ctl n LEU 45 CO 0.70 -0.15 -0.17 -0.62 -0.00 0.00 0.00 177.39 177.15 1ctl n GLU 46 N -0.20 1.05 -0.11 1.47 4.71 -1.26 -4.30 120.64 122.00 1ctl n GLU 46 Ca 0.02 -2.83 -0.09 0.00 -0.01 0.00 0.00 57.16 54.24 1ctl n GLU 46 Cb 0.18 0.74 -0.01 0.00 -1.01 0.00 0.00 31.44 31.33 1ctl n GLU 46 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1ctl h SER 47 N 0.92 0.42 0.06 1.62 0.02 -1.92 -1.46 113.55 113.20 1ctl h SER 47 Ca -0.32 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1ctl h SER 47 Cb 0.98 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1ctl h SER 47 CO 0.53 0.36 0.00 0.41 -1.14 0.00 0.00 176.83 176.99 1ctl n THR 48 N -4.80 1.24 -2.78 -2.27 -1.04 -1.26 -2.39 114.28 100.98 1ctl n THR 48 Ca -0.01 0.64 -0.02 0.00 -2.04 0.00 0.00 64.05 62.63 1ctl n THR 48 Cb 0.06 -1.63 0.07 0.00 -1.82 0.00 0.00 70.33 67.01 1ctl n THR 48 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ctl n THR 49 N -2.08 0.91 -4.19 12.58 -1.04 -0.96 -4.97 114.28 114.54 1ctl n THR 49 Ca -0.01 -2.46 -0.12 0.00 -2.04 0.00 0.00 64.05 59.42 1ctl n THR 49 Cb 0.04 1.16 -0.04 0.00 -1.82 0.00 0.00 70.33 69.67 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 -0.75 0.00 -3.58 -4.42 -0.00 -0.59 0.57 117.00 108.23 1ctl n LEU 50 Ca 0.01 -1.78 -0.16 0.00 -0.00 0.00 0.00 56.01 54.08 1ctl n LEU 50 Cb 0.82 0.86 -0.07 0.00 -0.00 0.00 0.00 43.42 45.03 1ctl n LEU 50 CO 0.04 -0.29 0.40 0.00 -0.00 0.00 0.00 177.39 177.54 1ctl s ALA 51 N -2.73 -1.70 0.14 1.47 0.00 0.15 -4.21 121.76 114.89 1ctl s ALA 51 Ca 0.20 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 1ctl s ALA 51 Cb 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1ctl s ALA 51 CO 0.14 -0.35 0.57 0.16 0.00 0.00 0.00 175.76 176.29 1ctl s ASP 52 N -0.64 6.90 -0.29 0.00 -4.77 -1.26 -1.95 116.67 114.67 1ctl s ASP 52 Ca -0.07 1.16 0.02 0.00 -3.30 0.00 0.00 52.55 50.35 1ctl s ASP 52 Cb -0.02 -2.32 0.16 0.00 -1.09 0.00 0.00 42.92 39.65 1ctl s ASP 52 CO 0.06 0.13 0.40 -0.75 0.70 0.00 0.00 175.17 175.71 1ctl s LYS 53 N -1.77 0.41 -1.85 2.11 2.20 0.50 -4.89 119.74 116.45 1ctl s LYS 53 Ca 0.36 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1ctl s LYS 53 Cb -0.16 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 35.81 1ctl s LYS 53 CO 0.19 -1.04 0.00 -0.25 -0.36 0.00 0.00 175.35 173.89 1ctl n ASP 54 N 5.33 -5.61 0.00 1.43 8.00 -1.26 -1.75 116.55 122.69 1ctl n ASP 54 Ca 0.01 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1ctl n ASP 54 Cb 0.49 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 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 -0.85 2.75 3.93 0.44 0.00 -1.26 -4.87 105.19 105.32 1ctl n GLY 55 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 2.53 0.15 1.61 -1.05 -0.72 -3.42 118.70 117.55 1ctl s GLU 56 Ca 0.00 -1.55 0.05 0.00 -0.15 0.00 0.00 54.97 53.32 1ctl s GLU 56 Cb 0.00 -2.46 -0.04 0.00 -0.44 0.00 0.00 34.13 31.19 1ctl s GLU 56 CO 0.00 -0.35 -0.11 0.96 0.95 0.00 0.00 175.26 176.71 1ctl s ILE 57 N -2.51 1.25 -0.29 1.83 -4.36 -1.26 -0.37 121.20 115.48 1ctl s ILE 57 Ca 0.50 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.62 1ctl s ILE 57 Cb -0.05 -1.79 0.19 0.00 1.25 0.00 0.00 42.46 42.07 1ctl s ILE 57 CO 0.30 -0.66 1.42 -0.47 0.24 0.00 0.00 174.94 175.77 1ctl s TYR 58 N -3.03 -0.03 0.19 1.37 6.14 -0.82 -3.78 117.35 117.39 1ctl s TYR 58 Ca 0.15 0.07 0.04 0.00 0.64 0.00 0.00 57.07 57.97 1ctl s TYR 58 Cb 0.01 0.49 -0.03 0.00 0.42 0.00 0.00 41.96 42.84 1ctl s TYR 58 CO 0.02 -0.02 0.28 0.00 0.64 0.00 0.00 175.55 176.46 1ctl n LYS 60 N -0.87 0.23 0.00 0.00 0.00 0.19 -1.41 118.16 116.30 1ctl n LYS 60 Ca -0.08 0.32 0.02 0.00 0.00 0.00 0.00 58.31 58.58 1ctl n LYS 60 Cb 0.55 -1.84 0.10 0.00 0.00 0.00 0.00 35.03 33.84 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 0.64 -0.63 0.63 3.14 0.00 -1.15 -1.39 105.19 106.43 1ctl n GLY 61 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.03 0.00 9.36 -0.93 0.97 117.16 123.60 1ctl n TYR 63 Ca -0.05 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.15 1ctl n TYR 63 Cb 0.54 -0.50 -0.01 0.00 -0.63 0.00 0.00 39.34 38.74 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 -1.50 0.65 0.13 2.98 0.00 -0.48 -3.74 120.51 118.55 1ctl n ALA 64 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.10 1ctl n ALA 64 Cb 0.00 0.02 0.54 0.00 0.00 0.00 0.00 19.45 20.01 1ctl n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ctl h LYS 65 N -0.32 0.25 0.00 0.00 1.57 -0.79 -2.50 116.57 114.78 1ctl h LYS 65 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ctl h LYS 65 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ctl h LYS 65 CO 0.00 0.17 -0.27 0.09 -0.57 0.00 0.00 179.45 178.87 1ctl n ASN 66 N -4.51 0.00 -0.35 0.86 4.13 -0.94 -4.84 115.26 109.61 1ctl n ASN 66 Ca 0.00 -1.53 -0.05 0.00 1.68 0.00 0.00 54.58 54.68 1ctl n ASN 66 Cb 0.09 -0.11 -0.02 0.00 -1.54 0.00 0.00 39.78 38.20 1ctl n ASN 66 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1ctl n PHE 67 N 0.00 0.00 0.00 3.10 -0.00 1.00 -4.52 117.46 117.04 1ctl n PHE 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1ctl n PHE 67 Cb 0.61 -2.25 0.00 0.00 -0.00 0.00 0.00 39.48 37.84 1ctl n PHE 67 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ctl n GLY 68 N 0.55 -0.81 3.74 7.13 0.00 0.27 -4.42 105.19 111.65 1ctl n GLY 68 Ca -0.05 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1ctl n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ctl s PRO 69 N -0.64 2.82 -0.06 1.61 0.04 -1.26 -4.41 135.00 133.09 1ctl s PRO 69 Ca 0.00 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 1ctl s PRO 69 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1ctl s PRO 69 CO 0.00 -1.38 0.10 1.17 0.04 0.00 0.00 177.00 176.93 1ctl n LYS 70 N -1.61 -4.84 -3.73 4.56 3.00 -1.26 -4.77 118.16 109.50 1ctl n LYS 70 Ca 0.14 3.57 -0.12 0.00 -0.00 0.00 0.00 58.31 61.90 1ctl n LYS 70 Cb 0.48 -4.76 -0.11 0.00 0.00 0.00 0.00 35.03 30.64 1ctl n LYS 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ctl s GLY 71 N -0.61 -0.26 0.00 3.14 0.00 -1.26 -4.60 107.32 103.73 1ctl s GLY 71 Ca -0.12 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1ctl s GLY 71 CO 0.31 1.14 0.00 1.97 0.00 0.00 0.00 173.10 176.52 1ctl n PHE 72 N 3.48 0.00 0.00 1.90 -1.74 -1.26 -5.06 117.46 114.78 1ctl n PHE 72 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1ctl n PHE 72 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1ctl n PHE 72 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ctl n GLY 73 N -1.05 0.30 1.72 4.97 0.00 -1.26 -2.99 105.19 106.87 1ctl n GLY 73 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ctl n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ctl n PHE 74 N 0.00 -1.41 0.00 1.61 -0.00 -1.26 -5.09 117.46 111.31 1ctl n PHE 74 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.70 1ctl n PHE 74 Cb 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 39.48 39.89 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ctl n GLY 75 N 2.05 -0.90 3.47 7.13 0.00 -1.16 -5.13 105.19 110.64 1ctl n GLY 75 Ca 0.00 0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.44 0.00 1.61 2.00 -1.26 -4.42 119.66 121.03 1ctl s GLN 76 Ca 0.00 -0.66 0.00 0.00 -2.00 0.00 0.00 55.36 52.70 1ctl s GLN 76 Cb 0.00 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.21 1ctl s GLN 76 CO 0.00 -0.39 0.00 0.41 -0.50 0.00 0.00 175.29 174.81 1ctl n GLY 77 N 5.01 2.56 2.27 2.59 0.00 -1.26 -5.08 105.19 111.28 1ctl n GLY 77 Ca -0.14 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -2.23 0.00 4.61 0.00 -1.26 -5.08 120.51 116.55 1ctl n ALA 78 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1ctl n ALA 78 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.69 3.87 2.41 0.00 0.00 -1.26 -5.02 105.19 106.88 1ctl n GLY 79 Ca -0.04 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.51 -0.49 -3.11 4.61 0.00 -1.26 -4.92 120.51 113.82 1ctl n ALA 80 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1ctl n ALA 80 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 1ctl n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ctl n LEU 81 N -2.60 2.27 -4.57 0.00 7.99 -1.26 -5.05 117.00 113.78 1ctl n LEU 81 Ca -0.22 -5.26 -0.31 0.00 -0.01 0.00 0.00 56.01 50.22 1ctl n LEU 81 Cb 0.66 0.17 -0.05 0.00 -0.11 0.00 0.00 43.42 44.09 1ctl n LEU 81 CO 0.27 2.28 1.51 -0.51 -1.51 0.00 0.00 177.39 179.43 1ctl s ILE 82 N -3.07 3.62 -0.25 -0.08 2.07 -1.26 -4.84 121.20 117.38 1ctl s ILE 82 Ca 0.43 -0.85 -0.01 0.00 -1.41 0.00 0.00 60.65 58.82 1ctl s ILE 82 Cb 0.30 -4.51 0.07 0.00 0.13 0.00 0.00 42.46 38.46 1ctl s ILE 82 CO -0.10 -1.19 0.03 -1.00 -1.91 0.00 0.00 174.94 170.77 1ctl s HIS 83 N 9.34 1.82 0.00 3.50 3.76 -1.26 -5.13 115.29 127.33 1ctl s HIS 83 Ca 0.65 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 1ctl s HIS 83 Cb -0.02 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1ctl s HIS 83 CO 0.06 -0.76 0.00 0.43 -0.85 0.00 0.00 174.74 173.62 1ctl n SER 84 N 4.82 0.00 0.00 1.40 7.64 -1.26 -5.25 113.62 120.97 1ctl n SER 84 Ca -0.07 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1ctl n SER 84 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1ctl n SER 84 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70