#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6f n SER 2 N 0.00 0.24 -3.01 1.61 2.88 -1.26 -5.17 113.62 108.91 1x6f n SER 2 Ca 0.00 0.20 -0.05 0.00 -1.33 0.00 0.00 58.87 57.69 1x6f n SER 2 Cb 0.00 0.05 0.02 0.00 -0.75 0.00 0.00 64.21 63.53 1x6f n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6f n SER 3 N -3.09 -1.90 -2.05 -3.46 7.64 -1.26 -5.19 113.62 104.32 1x6f n SER 3 Ca 0.00 -2.14 -0.00 0.00 1.01 0.00 0.00 58.87 57.73 1x6f n SER 3 Cb 0.00 3.12 -0.00 0.00 -1.01 0.00 0.00 64.21 66.32 1x6f n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6f n GLY 4 N -0.62 3.17 3.42 0.23 0.00 -1.26 -5.16 105.19 104.97 1x6f n GLY 4 Ca -0.05 -2.18 -0.17 0.00 0.00 0.00 0.00 46.02 43.63 1x6f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6f s SER 5 N -1.06 1.33 0.25 1.61 0.01 -1.26 -5.19 113.70 109.40 1x6f s SER 5 Ca 0.01 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 55.63 1x6f s SER 5 Cb -0.00 0.65 -0.00 0.00 0.21 0.00 0.00 66.02 66.88 1x6f s SER 5 CO 0.00 -1.25 0.32 -0.24 0.41 0.00 0.00 173.24 172.48 1x6f n SER 6 N -1.61 -0.87 -3.38 2.44 2.88 -1.26 -5.17 113.62 106.65 1x6f n SER 6 Ca 0.04 -2.44 0.02 0.00 -1.33 0.00 0.00 58.87 55.15 1x6f n SER 6 Cb 0.61 1.69 -0.03 0.00 -0.75 0.00 0.00 64.21 65.73 1x6f n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6f s GLY 7 N -2.62 -0.46 -0.02 0.46 0.00 -1.26 -5.16 107.32 98.26 1x6f s GLY 7 Ca 0.23 2.66 0.02 0.00 0.00 0.00 0.00 44.72 47.63 1x6f s GLY 7 CO 0.17 3.30 -0.05 0.48 0.00 0.00 0.00 173.10 177.00 1x6f s LEU 8 N 2.69 1.78 0.00 0.66 2.34 -1.26 -5.15 118.68 119.74 1x6f s LEU 8 Ca 0.00 -0.11 -0.05 0.00 0.06 0.00 0.00 54.13 54.04 1x6f s LEU 8 Cb -0.09 -0.34 0.02 0.00 -0.56 0.00 0.00 46.19 45.21 1x6f s LEU 8 CO -0.17 0.03 0.50 0.29 -1.06 0.00 0.00 176.35 175.94 1x6f n LYS 9 N 3.29 0.72 -4.58 1.48 4.01 -1.26 -5.19 118.16 116.64 1x6f n LYS 9 Ca -0.17 -2.27 -0.27 0.00 -0.51 0.00 0.00 58.31 55.09 1x6f n LYS 9 Cb 0.55 2.35 -0.11 0.00 -0.51 0.00 0.00 35.03 37.32 1x6f n LYS 9 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1x6f s ARG 10 N -2.50 1.88 0.13 1.97 3.03 -1.26 -5.15 118.95 117.04 1x6f s ARG 10 Ca 0.22 -2.02 -0.19 0.00 2.03 0.00 0.00 55.73 55.76 1x6f s ARG 10 Cb -0.02 -1.64 0.07 0.00 -1.03 0.00 0.00 34.95 32.33 1x6f s ARG 10 CO 0.16 0.03 0.91 -3.47 -1.13 0.00 0.00 175.30 171.80 1x6f n ASP 11 N -0.88 -1.40 -3.01 -2.89 2.03 -1.26 -5.03 116.55 104.11 1x6f n ASP 11 Ca -0.05 -1.68 -0.13 0.00 0.52 0.00 0.00 54.79 53.45 1x6f n ASP 11 Cb 0.65 2.27 0.07 0.00 -0.72 0.00 0.00 41.12 43.39 1x6f n ASP 11 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x6f n PHE 12 N -0.65 -1.96 0.63 -0.67 3.01 -1.26 -4.86 117.46 111.71 1x6f n PHE 12 Ca -0.01 0.76 0.05 0.00 1.01 0.00 0.00 57.45 59.26 1x6f n PHE 12 Cb 0.50 -4.23 0.31 0.00 -0.01 0.00 0.00 39.48 36.04 1x6f n PHE 12 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1x6f n ILE 13 N -3.29 0.18 -0.56 4.37 3.06 -1.26 -4.87 119.36 116.98 1x6f n ILE 13 Ca -0.15 0.04 -0.19 0.00 -2.50 0.00 0.00 62.75 59.95 1x6f n ILE 13 Cb 0.62 -0.87 -0.01 0.00 0.54 0.00 0.00 39.64 39.92 1x6f n ILE 13 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1x6f n ILE 14 N -1.07 0.70 -3.77 9.51 2.08 -1.26 -4.95 119.36 120.61 1x6f n ILE 14 Ca 0.07 -0.20 -0.01 0.00 0.56 0.00 0.00 62.75 63.17 1x6f n ILE 14 Cb 0.05 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.94 1x6f n ILE 14 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 1x6f s LEU 15 N 1.34 -0.08 0.00 1.39 2.34 -1.26 -5.17 118.68 117.24 1x6f s LEU 15 Ca 0.26 -0.38 0.00 0.00 0.06 0.00 0.00 54.13 54.07 1x6f s LEU 15 Cb -0.36 1.84 0.00 0.00 -0.56 0.00 0.00 46.19 47.12 1x6f s LEU 15 CO 0.23 -0.70 0.00 0.61 -1.06 0.00 0.00 176.35 175.44 1x6f n GLY 16 N -0.57 2.64 3.56 -3.48 0.00 -1.26 -5.19 105.19 100.89 1x6f n GLY 16 Ca -0.05 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1x6f n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x6f s ASN 17 N 0.00 -0.60 0.00 1.61 0.01 -1.26 -5.18 114.94 109.52 1x6f s ASN 17 Ca 0.00 0.78 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 1x6f s ASN 17 Cb 0.00 0.66 0.00 0.00 0.41 0.00 0.00 41.25 42.32 1x6f s ASN 17 CO 0.00 -0.46 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 1x6f n GLY 18 N 1.25 1.19 3.55 0.66 0.00 -1.26 -5.09 105.19 105.49 1x6f n GLY 18 Ca -0.16 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1x6f n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6f s PRO 19 N -2.00 2.61 -0.13 1.61 0.04 -1.26 -4.80 135.00 131.07 1x6f s PRO 19 Ca 0.00 0.51 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 1x6f s PRO 19 Cb 0.00 -4.47 -0.25 0.00 0.04 0.00 0.00 34.50 29.82 1x6f s PRO 19 CO 0.00 -2.81 0.31 0.54 0.04 0.00 0.00 177.00 175.07 1x6f n ARG 20 N 9.15 0.75 -1.66 4.56 1.74 -1.26 -4.89 116.66 125.05 1x6f n ARG 20 Ca 0.23 0.25 -0.52 0.00 -0.77 0.00 0.00 57.85 57.03 1x6f n ARG 20 Cb 0.51 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1x6f n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1x6f n LEU 21 N -3.46 2.82 -4.00 0.55 7.99 -1.26 -4.91 117.00 114.74 1x6f n LEU 21 Ca -0.33 0.92 -0.32 0.00 -0.01 0.00 0.00 56.01 56.27 1x6f n LEU 21 Cb 1.04 -1.26 -0.10 0.00 -0.11 0.00 0.00 43.42 42.99 1x6f n LEU 21 CO 0.41 -0.31 0.10 -1.58 -1.51 0.00 0.00 177.39 174.51 1x6f s GLN 22 N 4.24 2.74 -0.26 3.23 2.00 -1.26 -5.00 119.66 125.36 1x6f s GLN 22 Ca 0.98 -3.21 -0.04 0.00 -2.00 0.00 0.00 55.36 51.09 1x6f s GLN 22 Cb -0.87 -3.64 0.14 0.00 0.80 0.00 0.00 33.01 29.44 1x6f s GLN 22 CO 0.57 -1.26 0.49 -0.80 -0.50 0.00 0.00 175.29 173.80 1x6f s ASN 23 N -0.71 -0.56 -0.28 6.67 0.01 -1.26 -5.03 114.94 113.78 1x6f s ASN 23 Ca 0.25 0.82 -0.02 0.00 -0.71 0.00 0.00 52.86 53.20 1x6f s ASN 23 Cb -0.08 1.66 0.14 0.00 0.41 0.00 0.00 41.25 43.37 1x6f s ASN 23 CO -0.13 -0.26 2.21 -1.20 -1.51 0.00 0.00 177.10 176.22 1x6f n SER 24 N 5.40 6.27 -4.10 -1.22 7.64 -1.26 -4.97 113.62 121.38 1x6f n SER 24 Ca -0.05 -2.97 -0.30 0.00 1.01 0.00 0.00 58.87 56.55 1x6f n SER 24 Cb 0.50 -1.11 0.15 0.00 -1.01 0.00 0.00 64.21 62.74 1x6f n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x6f n THR 25 N 0.69 0.00 -4.15 0.44 -2.24 -1.26 -4.90 114.28 102.86 1x6f n THR 25 Ca 0.30 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 1x6f n THR 25 Cb 0.58 -0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 68.17 1x6f n THR 25 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1x6f s TYR 26 N -2.17 3.01 -0.52 4.78 1.51 0.14 -4.86 117.35 119.24 1x6f s TYR 26 Ca 0.50 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.87 1x6f s TYR 26 Cb -0.08 -2.05 0.06 0.00 -0.11 0.00 0.00 41.96 39.79 1x6f s TYR 26 CO 0.60 -0.24 0.63 -0.65 -1.11 0.00 0.00 175.55 174.78 1x6f s GLN 27 N 0.90 3.11 0.37 -0.62 -1.52 -1.26 -1.38 119.66 119.27 1x6f s GLN 27 Ca 0.00 -0.95 -0.28 0.00 -1.95 0.00 0.00 55.36 52.19 1x6f s GLN 27 Cb -0.14 -4.12 -0.11 0.00 -0.22 0.00 0.00 33.01 28.42 1x6f s GLN 27 CO 0.02 -1.26 1.49 0.00 -0.25 0.00 0.00 175.29 175.29 1x6f n LYS 29 N 0.49 2.42 0.00 0.00 -0.00 -1.26 -2.23 118.16 117.57 1x6f n LYS 29 Ca 0.01 -2.76 0.00 0.00 -0.00 0.00 0.00 58.31 55.57 1x6f n LYS 29 Cb 0.39 -2.09 0.00 0.00 -0.00 0.00 0.00 35.03 33.33 1x6f n LYS 29 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1x6f n HIS 30 N -0.82 0.00 -0.03 5.58 8.25 -1.26 -4.88 115.22 122.05 1x6f n HIS 30 Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1x6f n HIS 30 Cb 1.52 0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.65 1x6f n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x6f n ASP 32 N -0.63 -2.77 -3.41 0.00 2.03 -0.95 -5.02 116.55 105.80 1x6f n ASP 32 Ca 0.00 -0.33 -0.11 0.00 0.52 0.00 0.00 54.79 54.87 1x6f n ASP 32 Cb 0.01 -3.02 0.05 0.00 -0.72 0.00 0.00 41.12 37.43 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x6f n SER 33 N -1.80 0.89 -3.86 1.67 2.88 -1.26 -4.79 113.62 107.35 1x6f n SER 33 Ca -0.11 -1.69 -0.23 0.00 -1.33 0.00 0.00 58.87 55.51 1x6f n SER 33 Cb 0.57 -0.28 -0.17 0.00 -0.75 0.00 0.00 64.21 63.59 1x6f n SER 33 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x6f s LYS 34 N -3.58 0.99 0.27 -1.46 1.02 -1.25 -2.39 119.74 113.34 1x6f s LYS 34 Ca 0.33 -0.09 0.11 0.00 0.02 0.00 0.00 55.97 56.34 1x6f s LYS 34 Cb -0.02 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 1x6f s LYS 34 CO 0.21 -0.20 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.77 1x6f s LEU 35 N 1.47 2.60 0.02 3.17 1.02 -0.48 -4.85 118.68 121.62 1x6f s LEU 35 Ca -0.02 -1.06 -0.28 0.00 0.02 0.00 0.00 54.13 52.80 1x6f s LEU 35 Cb -0.13 -0.98 -0.16 0.00 0.02 0.00 0.00 46.19 44.94 1x6f s LEU 35 CO -0.04 -0.05 1.19 1.56 0.02 0.00 0.00 176.35 179.03 1x6f h GLN 36 N 2.29 -0.89 -3.49 1.70 7.50 -1.94 0.39 115.11 120.68 1x6f h GLN 36 Ca -0.40 0.06 -0.08 0.00 0.50 0.00 0.00 58.65 58.73 1x6f h GLN 36 Cb 1.25 0.20 -0.06 0.00 0.05 0.00 0.00 27.48 28.92 1x6f h GLN 36 CO 0.62 -0.57 0.02 -1.12 -1.50 0.00 0.00 178.83 176.29 1x6f s SER 37 N -4.49 0.15 0.26 1.46 0.01 -1.26 -4.41 113.70 105.41 1x6f s SER 37 Ca -0.15 -1.06 -0.09 0.00 1.31 0.00 0.00 55.95 55.95 1x6f s SER 37 Cb 0.02 0.70 0.40 0.00 0.21 0.00 0.00 66.02 67.35 1x6f s SER 37 CO 0.46 -1.36 1.58 0.74 0.41 0.00 0.00 173.24 175.08 1x6f h THR 38 N 2.11 0.12 -1.06 1.44 2.02 -1.97 0.46 112.91 116.02 1x6f h THR 38 Ca -0.27 -0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.33 1x6f h THR 38 Cb 1.25 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 67.61 1x6f h THR 38 CO 0.35 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.85 1x6f n ALA 39 N -3.43 1.08 0.12 6.16 0.00 -1.26 0.12 120.51 123.30 1x6f n ALA 39 Ca 0.14 0.95 -0.23 0.00 0.00 0.00 0.00 53.44 54.29 1x6f n ALA 39 Cb 0.46 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 1x6f n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x6f h GLU 40 N 0.00 0.54 -0.43 0.00 3.07 -0.50 -3.33 114.58 113.94 1x6f h GLU 40 Ca 0.83 -0.85 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1x6f h GLU 40 Cb 2.33 0.30 -0.03 0.00 -0.84 0.00 0.00 28.75 30.51 1x6f h GLU 40 CO -0.67 1.40 0.25 1.25 -1.40 0.00 0.00 179.01 179.84 1x6f h LEU 41 N 0.12 0.41 -1.67 1.33 5.85 0.13 0.25 115.31 121.73 1x6f h LEU 41 Ca -0.22 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.73 1x6f h LEU 41 Cb 2.02 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.91 1x6f h LEU 41 CO 0.25 0.29 0.62 0.74 -0.34 0.00 0.00 178.44 180.01 1x6f h THR 42 N 0.51 0.61 0.11 1.05 2.02 -0.83 0.38 112.91 116.76 1x6f h THR 42 Ca 0.17 -0.09 -0.35 0.00 0.77 0.00 0.00 66.41 66.92 1x6f h THR 42 Cb 0.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1x6f h THR 42 CO -0.08 0.05 -1.87 -1.28 0.37 0.00 0.00 175.52 172.71 1x6f h SER 43 N 0.25 0.37 0.75 4.18 0.87 -1.43 -3.31 113.55 115.23 1x6f h SER 43 Ca 0.47 -0.75 -0.04 0.00 -1.23 0.00 0.00 61.79 60.24 1x6f h SER 43 Cb 1.41 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1x6f h SER 43 CO -0.13 1.67 -0.36 -0.74 -0.53 0.00 0.00 176.83 176.74 1x6f h HIS 44 N 0.06 -0.94 -0.74 2.24 6.17 0.87 -3.21 115.15 119.61 1x6f h HIS 44 Ca -0.37 -0.02 0.16 0.00 0.71 0.00 0.00 60.37 60.85 1x6f h HIS 44 Cb 2.04 0.31 -0.13 0.00 2.52 0.00 0.00 27.41 32.15 1x6f h HIS 44 CO 0.07 -0.58 -0.07 -0.07 0.71 0.00 0.00 177.93 177.99 1x6f h LEU 45 N -1.27 -0.47 -0.98 0.26 3.38 -0.51 0.18 115.31 115.89 1x6f h LEU 45 Ca -0.10 0.20 0.40 0.00 0.09 0.00 0.00 57.88 58.47 1x6f h LEU 45 Cb 0.78 0.38 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 1x6f h LEU 45 CO 0.17 -0.20 0.48 0.59 0.09 0.00 0.00 178.44 179.57 1x6f n ASN 46 N -5.40 0.30 -0.11 -0.43 3.02 -1.21 0.59 115.26 112.02 1x6f n ASN 46 Ca 0.12 1.64 -0.05 0.00 -0.03 0.00 0.00 54.58 56.25 1x6f n ASN 46 Cb 0.43 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 38.84 1x6f n ASN 46 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1x6f h ILE 47 N 0.00 0.55 0.38 2.41 2.04 -0.72 -1.64 117.51 120.54 1x6f h ILE 47 Ca 0.81 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.67 1x6f h ILE 47 Cb 2.11 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1x6f h ILE 47 CO -0.77 0.00 -0.48 0.45 0.00 0.00 0.00 178.15 177.35 1x6f h HIS 48 N -0.05 -1.33 -0.52 1.37 3.86 0.04 -0.78 115.15 117.74 1x6f h HIS 48 Ca 0.18 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.48 1x6f h HIS 48 Cb 0.33 0.53 -0.10 0.00 1.06 0.00 0.00 27.41 29.24 1x6f h HIS 48 CO -0.37 -0.62 -0.50 -0.91 0.86 0.00 0.00 177.93 176.40 1x6f h ASN 49 N -0.89 -1.69 -0.55 2.45 2.35 -1.36 0.11 115.58 115.99 1x6f h ASN 49 Ca -0.04 0.25 0.11 0.00 -0.55 0.00 0.00 56.30 56.07 1x6f h ASN 49 Cb 0.81 0.73 -0.09 0.00 0.05 0.00 0.00 38.32 39.82 1x6f h ASN 49 CO -0.12 -0.36 0.01 -0.33 -1.65 0.00 0.00 177.43 174.98 1x6f h GLU 50 N -0.30 0.12 -0.94 0.81 5.08 -1.12 -0.09 114.58 118.16 1x6f h GLU 50 Ca 0.13 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1x6f h GLU 50 Cb 0.57 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 1x6f h GLU 50 CO -0.66 0.08 0.57 0.93 -1.00 0.00 0.00 179.01 178.94 1x6f h GLU 51 N 0.13 0.90 -0.77 2.33 4.39 0.47 -1.28 114.58 120.75 1x6f h GLU 51 Ca 0.28 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.94 1x6f h GLU 51 Cb 0.43 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1x6f h GLU 51 CO -0.45 0.59 0.50 0.35 -1.16 0.00 0.00 179.01 178.84 1x6f h PHE 52 N 0.92 0.95 -0.58 4.33 3.04 0.65 -2.67 116.94 123.58 1x6f h PHE 52 Ca 0.46 0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.55 1x6f h PHE 52 Cb 0.44 -0.32 -0.10 0.00 2.56 0.00 0.00 35.95 38.52 1x6f h PHE 52 CO -0.03 0.59 -0.03 0.37 -2.02 0.00 0.00 178.31 177.19 1x6f h GLN 53 N 1.02 0.09 -0.79 1.11 5.75 -0.72 -1.07 115.11 120.49 1x6f h GLN 53 Ca 0.29 -0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.94 1x6f h GLN 53 Cb -0.09 -0.02 -0.15 0.00 1.07 0.00 0.00 27.48 28.29 1x6f h GLN 53 CO -0.07 0.06 -0.19 0.87 -2.65 0.00 0.00 178.83 176.84 1x6f h LYS 54 N 0.09 0.00 0.52 1.69 6.56 -1.42 -1.81 116.57 122.21 1x6f h LYS 54 Ca 0.30 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.87 1x6f h LYS 54 Cb 0.47 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 1x6f h LYS 54 CO -0.52 0.00 -0.39 -0.09 -2.06 0.00 0.00 179.45 176.39 1x6f h ARG 55 N 0.00 -0.84 -6.55 3.15 9.65 -1.28 -3.45 114.38 115.06 1x6f h ARG 55 Ca 0.38 0.06 -0.47 0.00 -1.10 0.00 0.00 59.98 58.85 1x6f h ARG 55 Cb 0.58 0.19 -0.29 0.00 -1.39 0.00 0.00 29.97 29.06 1x6f h ARG 55 CO -0.81 -0.56 -0.68 0.00 2.80 0.00 0.00 179.97 180.72 1x6f n ALA 56 N -2.64 -1.12 -2.32 2.80 0.00 -0.68 -4.88 120.51 111.67 1x6f n ALA 56 Ca -0.11 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1x6f n ALA 56 Cb 0.38 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.74 1x6f n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1x6f s LYS 57 N -6.52 0.80 -0.01 0.00 2.20 -1.26 -5.16 119.74 109.79 1x6f s LYS 57 Ca 0.63 -1.23 0.05 0.00 -0.36 0.00 0.00 55.97 55.06 1x6f s LYS 57 Cb -0.36 -0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 35.66 1x6f s LYS 57 CO 0.77 0.01 -0.18 0.50 -0.36 0.00 0.00 175.35 176.09 1x6f s ARG 58 N -3.36 1.42 1.05 4.03 6.06 -1.26 -5.13 118.95 121.76 1x6f s ARG 58 Ca 0.08 -0.64 -0.20 0.00 -2.50 0.00 0.00 55.73 52.48 1x6f s ARG 58 Cb 0.02 -1.38 -0.01 0.00 0.06 0.00 0.00 34.95 33.64 1x6f s ARG 58 CO -0.03 0.38 -0.41 1.04 -2.50 0.00 0.00 175.30 173.78 1x6f n GLN 59 N 2.63 -0.81 -1.60 5.12 3.00 -1.26 -4.69 117.38 119.77 1x6f n GLN 59 Ca -0.15 -0.22 -0.58 0.00 -0.01 0.00 0.00 57.00 56.04 1x6f n GLN 59 Cb 0.54 -1.48 -0.08 0.00 0.00 0.00 0.00 30.24 29.23 1x6f n GLN 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1x6f n GLU 60 N -0.37 0.53 -3.64 -1.09 0.00 -1.26 -4.93 120.64 109.88 1x6f n GLU 60 Ca 0.01 0.19 -0.06 0.00 0.00 0.00 0.00 57.16 57.30 1x6f n GLU 60 Cb 0.64 -1.76 -0.07 0.00 0.00 0.00 0.00 31.44 30.25 1x6f n GLU 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1x6f s ARG 61 N 1.16 0.26 -0.42 3.44 3.00 -1.26 -5.10 118.95 120.03 1x6f s ARG 61 Ca 0.92 0.26 -0.35 0.00 -1.00 0.00 0.00 55.73 55.57 1x6f s ARG 61 Cb -1.18 0.12 -0.15 0.00 0.00 0.00 0.00 34.95 33.74 1x6f s ARG 61 CO 0.59 -0.04 1.73 0.54 0.00 0.00 0.00 175.30 178.12 1x6f n ARG 62 N 1.67 0.00 -4.07 5.12 1.74 -1.26 -4.89 116.66 114.97 1x6f n ARG 62 Ca -0.10 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 1x6f n ARG 62 Cb 0.57 -1.20 -0.10 0.00 -1.02 0.00 0.00 32.46 30.70 1x6f n ARG 62 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1x6f s LYS 63 N 4.89 0.56 -0.07 5.56 2.20 -1.26 -5.15 119.74 126.47 1x6f s LYS 63 Ca 0.96 -1.01 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1x6f s LYS 63 Cb -1.19 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 35.19 1x6f s LYS 63 CO 0.52 -0.05 -0.02 1.14 -0.36 0.00 0.00 175.35 176.58 1x6f s GLN 64 N -2.89 0.73 0.64 4.03 -2.07 -1.26 -5.15 119.66 113.68 1x6f s GLN 64 Ca -0.01 0.02 0.05 0.00 -1.82 0.00 0.00 55.36 53.60 1x6f s GLN 64 Cb -0.00 -0.96 0.12 0.00 -1.09 0.00 0.00 33.01 31.08 1x6f s GLN 64 CO -0.05 -0.23 0.88 1.28 -1.32 0.00 0.00 175.29 175.85 1x6f n LEU 65 N 4.78 0.00 -3.93 2.60 4.32 -1.26 -5.14 117.00 118.37 1x6f n LEU 65 Ca -0.13 -2.26 -0.09 0.00 -0.02 0.00 0.00 56.01 53.51 1x6f n LEU 65 Cb 0.50 -0.52 -0.09 0.00 -1.62 0.00 0.00 43.42 41.70 1x6f n LEU 65 CO 0.15 -0.84 -0.20 -1.48 -1.22 0.00 0.00 177.39 173.81 1x6f s LEU 66 N 0.00 1.79 -0.29 2.23 -0.00 -1.26 -5.16 118.68 115.98 1x6f s LEU 66 Ca 0.62 -0.65 -0.16 0.00 -0.00 0.00 0.00 54.13 53.95 1x6f s LEU 66 Cb -0.04 0.68 0.16 0.00 -0.00 0.00 0.00 46.19 46.99 1x6f s LEU 66 CO 0.40 -0.60 1.03 -0.55 -0.00 0.00 0.00 176.35 176.63 1x6f s SER 67 N -2.50 -0.44 -0.16 1.48 0.15 -1.26 -5.15 113.70 105.82 1x6f s SER 67 Ca 0.00 0.69 -0.04 0.00 0.70 0.00 0.00 55.95 57.30 1x6f s SER 67 Cb 0.02 1.24 0.08 0.00 -1.71 0.00 0.00 66.02 65.65 1x6f s SER 67 CO -0.08 -0.11 0.22 -0.75 1.20 0.00 0.00 173.24 173.73 1x6f s LYS 68 N 1.46 0.15 -0.13 5.44 2.20 -1.26 -5.13 119.74 122.47 1x6f s LYS 68 Ca -0.08 0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.88 1x6f s LYS 68 Cb -0.04 -0.74 0.05 0.00 -1.51 0.00 0.00 37.83 35.59 1x6f s LYS 68 CO -0.14 -0.50 0.29 -0.65 -0.36 0.00 0.00 175.35 173.98 1x6f s GLN 69 N 2.34 0.24 0.20 4.03 -1.52 -1.26 -5.16 119.66 118.53 1x6f s GLN 69 Ca 0.05 0.63 -0.09 0.00 -1.95 0.00 0.00 55.36 54.00 1x6f s GLN 69 Cb -0.14 -0.08 -0.01 0.00 -0.22 0.00 0.00 33.01 32.56 1x6f s GLN 69 CO -0.10 -0.18 0.32 -1.59 -0.25 0.00 0.00 175.29 173.48 1x6f s LYS 70 N 1.50 1.29 0.32 2.91 -2.85 -1.26 -5.18 119.74 116.47 1x6f s LYS 70 Ca -0.08 -1.29 -0.18 0.00 -1.00 0.00 0.00 55.97 53.42 1x6f s LYS 70 Cb -0.10 0.39 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1x6f s LYS 70 CO -0.10 -0.49 0.80 1.52 0.10 0.00 0.00 175.35 177.18 1x6f s TYR 71 N -4.02 0.00 -0.01 1.78 -0.85 -1.26 -5.19 117.35 107.80 1x6f s TYR 71 Ca 0.23 -0.57 -0.28 0.00 -0.52 0.00 0.00 57.07 55.93 1x6f s TYR 71 Cb 0.03 0.78 0.09 0.00 0.38 0.00 0.00 41.96 43.23 1x6f s TYR 71 CO 0.05 -1.38 0.77 0.00 -1.52 0.00 0.00 175.55 173.47 1x6f s ALA 72 N -2.87 -1.77 0.29 9.51 0.00 -1.26 -5.19 121.76 120.47 1x6f s ALA 72 Ca 0.14 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 1x6f s ALA 72 Cb -0.05 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1x6f s ALA 72 CO 0.09 -0.52 0.72 0.34 0.00 0.00 0.00 175.76 176.39 1x6f s ASP 73 N -1.81 -0.21 0.28 0.00 2.15 -1.26 -5.19 116.67 110.63 1x6f s ASP 73 Ca -0.03 -0.71 -0.03 0.00 0.43 0.00 0.00 52.55 52.21 1x6f s ASP 73 Cb -0.01 0.74 0.01 0.00 -0.30 0.00 0.00 42.92 43.37 1x6f s ASP 73 CO -0.01 -1.39 0.42 0.61 -0.17 0.00 0.00 175.17 174.62 1x6f n GLY 74 N -0.47 2.17 3.41 2.66 0.00 -1.26 -5.19 105.19 106.51 1x6f n GLY 74 Ca -0.05 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1x6f n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6f s ALA 75 N -2.41 -1.49 0.18 4.61 0.00 -1.26 -5.19 121.76 116.20 1x6f s ALA 75 Ca 0.21 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 1x6f s ALA 75 Cb -0.01 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1x6f s ALA 75 CO 0.15 -0.70 0.18 -0.59 0.00 0.00 0.00 175.76 174.80 1x6f s PHE 76 N -3.47 0.84 0.05 0.00 -0.12 -1.26 -5.18 117.98 108.84 1x6f s PHE 76 Ca -0.00 -1.15 0.01 0.00 -0.05 0.00 0.00 56.93 55.74 1x6f s PHE 76 Cb -0.00 -0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 1x6f s PHE 76 CO -0.10 -0.67 -0.06 0.00 -0.05 0.00 0.00 175.22 174.34 1x6f s ALA 77 N -4.08 0.52 0.32 1.99 0.00 -1.26 -5.17 121.76 114.08 1x6f s ALA 77 Ca 0.29 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1x6f s ALA 77 Cb 0.05 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 1x6f s ALA 77 CO 0.07 -0.14 -0.04 -0.51 0.00 0.00 0.00 175.76 175.13 1x6f s ASP 78 N -2.00 3.08 0.15 0.00 1.01 -1.26 -5.16 116.67 112.49 1x6f s ASP 78 Ca -0.05 -1.24 -0.06 0.00 0.71 0.00 0.00 52.55 51.91 1x6f s ASP 78 Cb -0.05 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.63 1x6f s ASP 78 CO -0.02 -0.36 0.20 0.72 0.21 0.00 0.00 175.17 175.92 1x6f s PHE 79 N -2.92 0.58 0.83 4.23 -0.71 -1.26 -5.17 117.98 113.56 1x6f s PHE 79 Ca 0.32 -0.95 -0.10 0.00 -1.04 0.00 0.00 56.93 55.17 1x6f s PHE 79 Cb 0.05 -0.22 0.14 0.00 -1.21 0.00 0.00 43.02 41.78 1x6f s PHE 79 CO 0.14 -0.65 1.16 0.15 -1.34 0.00 0.00 175.22 174.69 1x6f s LYS 80 N -4.00 1.35 0.27 1.99 -0.14 -1.26 -5.12 119.74 112.84 1x6f s LYS 80 Ca 0.20 -0.51 0.03 0.00 -1.36 0.00 0.00 55.97 54.33 1x6f s LYS 80 Cb 0.05 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 1x6f s LYS 80 CO 0.01 -1.85 0.23 -1.14 -0.76 0.00 0.00 175.35 171.84 1x6f s GLN 81 N -5.54 1.51 0.03 1.68 0.74 -1.26 -5.18 119.66 111.65 1x6f s GLN 81 Ca 0.68 -1.81 0.03 0.00 0.05 0.00 0.00 55.36 54.31 1x6f s GLN 81 Cb -0.06 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 1x6f s GLN 81 CO 0.49 -0.54 -0.08 -2.00 -0.55 0.00 0.00 175.29 172.60 1x6f s GLU 82 N -3.76 0.57 0.19 1.67 2.12 -1.26 -5.06 118.70 113.16 1x6f s GLU 82 Ca 0.39 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1x6f s GLU 82 Cb 0.04 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.00 1x6f s GLU 82 CO 0.20 0.09 0.00 0.43 -0.54 0.00 0.00 175.26 175.44 1x6f n SER 83 N 1.88 0.51 -0.12 -1.70 7.64 -1.26 -5.16 113.62 115.40 1x6f n SER 83 Ca -0.20 0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1x6f n SER 83 Cb 0.55 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1x6f n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6f n GLY 84 N 2.58 -0.38 3.58 0.23 0.00 -1.26 -5.08 105.19 104.86 1x6f n GLY 84 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1x6f n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6f s PRO 85 N -3.56 -1.47 0.08 1.61 0.04 -1.26 -5.10 135.00 125.34 1x6f s PRO 85 Ca 0.00 -0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.61 1x6f s PRO 85 Cb 0.00 -1.58 0.08 0.00 0.04 0.00 0.00 34.50 33.05 1x6f s PRO 85 CO 0.00 -3.86 0.96 -1.12 0.04 0.00 0.00 177.00 173.02 1x6f s SER 86 N -3.97 -0.24 0.12 6.66 0.01 -1.26 -5.18 113.70 109.85 1x6f s SER 86 Ca 0.72 -0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.83 1x6f s SER 86 Cb -0.08 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 1x6f s SER 86 CO 0.56 -0.74 -0.12 -0.44 0.41 0.00 0.00 173.24 172.90 1x6f s SER 87 N -2.76 4.23 0.00 2.44 0.01 -1.26 -5.36 113.70 111.00 1x6f s SER 87 Ca 0.10 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1x6f s SER 87 Cb -0.01 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1x6f s SER 87 CO -0.02 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.41