#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6f s SER 2 N 0.00 5.22 -0.15 1.61 0.01 -1.26 -5.06 113.70 114.08 1x6f s SER 2 Ca 0.00 -0.76 -0.27 0.00 1.31 0.00 0.00 55.95 56.23 1x6f s SER 2 Cb 0.00 0.09 -0.25 0.00 0.21 0.00 0.00 66.02 66.07 1x6f s SER 2 CO 0.00 -1.21 0.69 0.28 0.41 0.00 0.00 173.24 173.41 1x6f h SER 3 N 0.28 0.00 -3.38 2.44 0.02 -2.11 -3.47 113.55 107.33 1x6f h SER 3 Ca -0.32 -0.92 -0.43 0.00 -0.84 0.00 0.00 61.79 59.28 1x6f h SER 3 Cb 1.29 0.00 0.20 0.00 0.14 0.00 0.00 62.40 64.02 1x6f h SER 3 CO 0.42 1.04 0.04 -0.83 -1.14 0.00 0.00 176.83 176.36 1x6f s GLY 4 N -4.27 1.53 0.55 -3.77 0.00 -1.26 -4.93 107.32 95.17 1x6f s GLY 4 Ca -0.20 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 43.95 1x6f s GLY 4 CO 0.66 0.38 0.79 -1.26 0.00 0.00 0.00 173.10 173.68 1x6f n SER 5 N -4.85 0.13 -4.41 1.64 2.88 -1.26 -5.01 113.62 102.74 1x6f n SER 5 Ca 0.05 0.83 -0.21 0.00 -1.33 0.00 0.00 58.87 58.20 1x6f n SER 5 Cb 0.56 -1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 62.63 1x6f n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x6f s SER 6 N -1.12 3.10 0.00 -3.46 0.01 -1.26 -4.99 113.70 105.98 1x6f s SER 6 Ca 0.70 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x6f s SER 6 Cb -0.46 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.55 1x6f s SER 6 CO 0.52 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1x6f n GLY 7 N -0.51 1.18 3.66 3.44 0.00 -1.26 -4.98 105.19 106.72 1x6f n GLY 7 Ca -0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 1x6f n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6f n LEU 8 N 0.00 -3.25 -4.17 0.99 4.32 -1.26 -4.86 117.00 108.78 1x6f n LEU 8 Ca 0.00 -0.76 -0.40 0.00 -0.02 0.00 0.00 56.01 54.83 1x6f n LEU 8 Cb 0.00 -2.76 0.00 0.00 -1.62 0.00 0.00 43.42 39.04 1x6f n LEU 8 CO 0.00 0.42 -0.49 2.29 -1.22 0.00 0.00 177.39 178.39 1x6f n LYS 9 N -4.32 0.00 -3.67 3.23 0.00 -1.26 -4.98 118.16 107.17 1x6f n LYS 9 Ca -0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.04 1x6f n LYS 9 Cb 0.66 -0.97 -0.01 0.00 -0.00 0.00 0.00 35.03 34.70 1x6f n LYS 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1x6f s ARG 10 N -0.97 0.77 0.20 -1.58 1.70 -1.26 -5.18 118.95 112.63 1x6f s ARG 10 Ca 0.57 -0.41 0.10 0.00 -0.47 0.00 0.00 55.73 55.52 1x6f s ARG 10 Cb -0.58 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.03 1x6f s ARG 10 CO 0.62 -0.35 -0.11 0.16 -1.08 0.00 0.00 175.30 174.54 1x6f s ASP 11 N -2.86 4.12 -0.12 -2.89 -4.77 -1.26 -5.13 116.67 103.75 1x6f s ASP 11 Ca 0.12 -0.67 -0.03 0.00 -3.30 0.00 0.00 52.55 48.67 1x6f s ASP 11 Cb 0.01 -0.63 -0.03 0.00 -1.09 0.00 0.00 42.92 41.18 1x6f s ASP 11 CO -0.02 0.09 0.01 0.72 0.70 0.00 0.00 175.17 176.67 1x6f s PHE 12 N -1.84 3.17 -0.13 2.11 -0.71 -1.26 -5.11 117.98 114.21 1x6f s PHE 12 Ca 0.25 0.09 -0.07 0.00 -1.04 0.00 0.00 56.93 56.17 1x6f s PHE 12 Cb -0.08 -1.88 -0.04 0.00 -1.21 0.00 0.00 43.02 39.81 1x6f s PHE 12 CO 0.15 0.32 0.12 -1.50 -1.34 0.00 0.00 175.22 172.97 1x6f s ILE 13 N -0.41 5.34 -0.21 -4.49 2.07 -1.26 -5.09 121.20 117.16 1x6f s ILE 13 Ca 0.08 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.47 1x6f s ILE 13 Cb -0.12 -3.34 0.03 0.00 0.13 0.00 0.00 42.46 39.16 1x6f s ILE 13 CO 0.02 0.59 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.86 1x6f s ILE 14 N -0.75 2.34 -0.93 2.00 1.01 -1.26 -5.05 121.20 118.55 1x6f s ILE 14 Ca 0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1x6f s ILE 14 Cb -0.12 -2.10 0.23 0.00 0.01 0.00 0.00 42.46 40.48 1x6f s ILE 14 CO 0.03 0.37 0.83 -0.76 0.00 0.00 0.00 174.94 175.40 1x6f s LEU 15 N 1.28 5.65 -0.31 2.97 1.43 -1.26 -4.74 118.68 123.70 1x6f s LEU 15 Ca 0.02 -3.73 0.07 0.00 -1.03 0.00 0.00 54.13 49.46 1x6f s LEU 15 Cb -0.15 -1.95 0.27 0.00 0.03 0.00 0.00 46.19 44.39 1x6f s LEU 15 CO -0.09 -0.19 1.23 0.61 0.23 0.00 0.00 176.35 178.13 1x6f n GLY 16 N 2.35 0.72 3.01 -3.19 0.00 -1.26 -5.09 105.19 101.72 1x6f n GLY 16 Ca 0.22 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1x6f n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x6f s ASN 17 N -0.78 4.67 -0.48 1.61 2.47 -1.26 -4.96 114.94 116.21 1x6f s ASN 17 Ca 0.11 -2.38 0.05 0.00 0.42 0.00 0.00 52.86 51.07 1x6f s ASN 17 Cb 0.28 -1.64 0.25 0.00 -1.45 0.00 0.00 41.25 38.69 1x6f s ASN 17 CO -0.07 -0.35 0.93 0.61 -3.72 0.00 0.00 177.10 174.51 1x6f n GLY 18 N 3.96 -0.07 0.00 1.21 0.00 -1.26 -4.98 105.19 104.06 1x6f n GLY 18 Ca 0.04 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1x6f n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6f n PRO 19 N 1.54 0.44 -1.56 1.61 -0.04 -1.26 -4.69 135.00 131.04 1x6f n PRO 19 Ca 0.08 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1x6f n PRO 19 Cb 0.64 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 1x6f n PRO 19 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x6f n ARG 20 N -1.05 0.64 -0.05 0.54 0.00 -1.26 -4.65 116.66 110.83 1x6f n ARG 20 Ca 0.11 -0.66 -0.06 0.00 -0.00 0.00 0.00 57.85 57.24 1x6f n ARG 20 Cb 0.07 -3.58 -0.02 0.00 0.00 0.00 0.00 32.46 28.92 1x6f n ARG 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1x6f n LEU 21 N 17.89 1.46 -3.47 6.15 -0.00 -1.26 -4.86 117.00 132.91 1x6f n LEU 21 Ca 0.46 0.24 -0.27 0.00 -0.00 0.00 0.00 56.01 56.43 1x6f n LEU 21 Cb 0.45 -0.60 -0.09 0.00 -0.00 0.00 0.00 43.42 43.18 1x6f n LEU 21 CO 0.59 -0.41 0.03 0.00 -0.00 0.00 0.00 177.39 177.59 1x6f n GLN 22 N -3.95 2.25 -3.67 1.96 6.02 -1.26 -4.96 117.38 113.77 1x6f n GLN 22 Ca -0.09 -4.51 -0.27 0.00 -0.01 0.00 0.00 57.00 52.12 1x6f n GLN 22 Cb 0.33 -2.17 -0.11 0.00 1.02 0.00 0.00 30.24 29.31 1x6f n GLN 22 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1x6f n ASN 23 N 1.08 1.63 -4.40 1.08 5.15 -1.26 -5.09 115.26 113.45 1x6f n ASN 23 Ca 0.28 -2.89 -0.31 0.00 -0.60 0.00 0.00 54.58 51.06 1x6f n ASN 23 Cb 0.41 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 38.85 1x6f n ASN 23 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1x6f s SER 24 N -0.91 3.53 0.00 1.20 0.15 -1.26 -5.13 113.70 111.28 1x6f s SER 24 Ca 0.29 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.53 1x6f s SER 24 Cb 0.00 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 1x6f s SER 24 CO -0.18 0.29 -0.08 0.42 1.20 0.00 0.00 173.24 174.89 1x6f s THR 25 N -0.79 0.62 -0.19 6.45 -4.23 -1.26 -4.68 115.64 111.55 1x6f s THR 25 Ca 0.12 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1x6f s THR 25 Cb -0.10 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1x6f s THR 25 CO 0.02 0.09 0.42 -0.31 -0.54 0.00 0.00 174.62 174.30 1x6f s TYR 26 N -0.37 3.39 -0.81 3.99 1.51 0.70 -4.85 117.35 120.90 1x6f s TYR 26 Ca 0.01 0.66 -0.17 0.00 -1.01 0.00 0.00 57.07 56.57 1x6f s TYR 26 Cb -0.04 -2.55 0.16 0.00 -0.11 0.00 0.00 41.96 39.41 1x6f s TYR 26 CO -0.00 -0.01 0.90 -1.14 -1.11 0.00 0.00 175.55 174.19 1x6f s GLN 27 N 1.30 3.47 -0.34 -0.62 2.00 -1.26 -1.06 119.66 123.15 1x6f s GLN 27 Ca 0.20 -1.91 -0.41 0.00 -2.00 0.00 0.00 55.36 51.25 1x6f s GLN 27 Cb -0.15 -4.58 -0.16 0.00 0.80 0.00 0.00 33.01 28.91 1x6f s GLN 27 CO 0.08 -1.55 1.78 0.00 -0.50 0.00 0.00 175.29 175.11 1x6f n LYS 29 N 5.50 1.28 0.00 0.00 -0.00 -1.26 -0.89 118.16 122.79 1x6f n LYS 29 Ca 0.30 -0.65 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 1x6f n LYS 29 Cb 0.09 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 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 0.26 0.00 0.00 5.58 8.25 -1.26 -4.88 115.22 123.17 1x6f n HIS 30 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1x6f n HIS 30 Cb 0.72 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.88 -2.87 -3.55 0.00 2.03 -0.07 -5.04 116.55 106.17 1x6f n ASP 32 Ca 0.00 -0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.05 1x6f n ASP 32 Cb 0.00 -1.70 0.05 0.00 -0.72 0.00 0.00 41.12 38.75 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 -0.15 1.00 -3.79 1.67 2.88 -1.24 -4.84 113.62 109.15 1x6f n SER 33 Ca -0.02 -1.77 -0.24 0.00 -1.33 0.00 0.00 58.87 55.52 1x6f n SER 33 Cb 0.52 -0.29 -0.17 0.00 -0.75 0.00 0.00 64.21 63.52 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 -3.64 0.76 0.29 -1.46 1.02 -1.25 -2.21 119.74 113.25 1x6f s LYS 34 Ca 0.35 0.05 0.10 0.00 0.02 0.00 0.00 55.97 56.49 1x6f s LYS 34 Cb -0.02 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.16 1x6f s LYS 34 CO 0.23 -0.30 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.78 1x6f s LEU 35 N 1.93 2.91 -0.02 3.17 1.02 -0.23 -4.88 118.68 122.58 1x6f s LEU 35 Ca 0.05 -0.89 -0.19 0.00 0.02 0.00 0.00 54.13 53.12 1x6f s LEU 35 Cb -0.12 -1.38 -0.10 0.00 0.02 0.00 0.00 46.19 44.61 1x6f s LEU 35 CO -0.06 -0.05 0.80 -0.61 0.02 0.00 0.00 176.35 176.45 1x6f h GLN 36 N 2.01 -0.65 -3.98 1.70 -0.00 -1.89 0.20 115.11 112.49 1x6f h GLN 36 Ca -0.42 0.04 -0.21 0.00 -0.00 0.00 0.00 58.65 58.06 1x6f h GLN 36 Cb 1.25 0.15 -0.08 0.00 0.00 0.00 0.00 27.48 28.80 1x6f h GLN 36 CO 0.62 -0.43 -0.17 -1.12 0.00 0.00 0.00 178.83 177.73 1x6f s SER 37 N -4.63 0.61 0.21 -0.69 0.01 -1.26 -4.31 113.70 103.64 1x6f s SER 37 Ca -0.10 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.66 1x6f s SER 37 Cb 0.01 0.64 0.21 0.00 0.21 0.00 0.00 66.02 67.09 1x6f s SER 37 CO 0.30 -1.26 1.61 0.74 0.41 0.00 0.00 173.24 175.03 1x6f h THR 38 N 2.16 0.26 -0.88 1.44 2.02 -1.98 0.12 112.91 116.04 1x6f h THR 38 Ca -0.28 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.25 1x6f h THR 38 Cb 1.24 0.26 -0.14 0.00 -1.74 0.00 0.00 68.15 67.77 1x6f h THR 38 CO 0.39 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.78 1x6f n ALA 39 N -3.14 0.90 0.12 6.16 0.00 -1.26 0.22 120.51 123.52 1x6f n ALA 39 Ca 0.07 0.81 -0.22 0.00 0.00 0.00 0.00 53.44 54.10 1x6f n ALA 39 Cb 0.35 -0.84 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 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 0.44 -0.34 0.00 3.07 -1.19 -3.33 114.58 113.22 1x6f h GLU 40 Ca 0.70 -0.75 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1x6f h GLU 40 Cb 1.94 0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 30.12 1x6f h GLU 40 CO -0.58 1.35 0.17 1.25 -1.40 0.00 0.00 179.01 179.80 1x6f h LEU 41 N 0.12 0.44 -1.54 1.33 5.85 0.31 0.22 115.31 122.04 1x6f h LEU 41 Ca -0.24 -0.12 0.25 0.00 0.84 0.00 0.00 57.88 58.62 1x6f h LEU 41 Cb 2.11 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.95 1x6f h LEU 41 CO 0.24 0.43 0.66 0.74 -0.34 0.00 0.00 178.44 180.18 1x6f h THR 42 N 0.42 0.57 0.09 1.05 2.02 -0.64 0.19 112.91 116.61 1x6f h THR 42 Ca 0.12 -0.11 -0.29 0.00 0.77 0.00 0.00 66.41 66.90 1x6f h THR 42 Cb 0.10 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1x6f h THR 42 CO -0.02 0.06 -1.53 -1.28 0.37 0.00 0.00 175.52 173.12 1x6f h SER 43 N 0.32 0.29 0.18 4.18 0.87 -1.55 -3.29 113.55 114.54 1x6f h SER 43 Ca 0.53 -0.80 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1x6f h SER 43 Cb 1.48 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.32 1x6f h SER 43 CO -0.20 1.65 -0.29 -0.74 -0.53 0.00 0.00 176.83 176.73 1x6f h HIS 44 N -0.38 -0.77 -0.42 2.24 6.17 0.35 -2.69 115.15 119.65 1x6f h HIS 44 Ca -0.35 0.01 0.08 0.00 0.71 0.00 0.00 60.37 60.83 1x6f h HIS 44 Cb 1.72 0.32 -0.08 0.00 2.52 0.00 0.00 27.41 31.89 1x6f h HIS 44 CO 0.11 -0.40 -0.07 -0.07 0.71 0.00 0.00 177.93 178.21 1x6f h LEU 45 N -0.54 -0.32 -1.00 0.26 3.38 -0.85 -0.83 115.31 115.42 1x6f h LEU 45 Ca 0.02 0.12 0.40 0.00 0.09 0.00 0.00 57.88 58.50 1x6f h LEU 45 Cb 0.54 0.23 -0.17 0.00 0.09 0.00 0.00 40.66 41.35 1x6f h LEU 45 CO -0.13 -0.11 0.53 0.78 0.09 0.00 0.00 178.44 179.60 1x6f h ASN 46 N 0.03 0.33 -0.05 -0.43 2.35 -1.55 0.43 115.58 116.69 1x6f h ASN 46 Ca 0.20 0.25 0.03 0.00 -0.55 0.00 0.00 56.30 56.23 1x6f h ASN 46 Cb 0.31 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1x6f h ASN 46 CO -0.40 -0.38 -0.15 0.40 -1.65 0.00 0.00 177.43 175.25 1x6f h ILE 47 N 0.06 0.63 -0.04 2.81 2.04 -1.07 0.92 117.51 122.85 1x6f h ILE 47 Ca 0.82 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.69 1x6f h ILE 47 Cb 2.11 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1x6f h ILE 47 CO -0.74 0.00 -0.20 0.45 0.00 0.00 0.00 178.15 177.66 1x6f h HIS 48 N -0.22 -0.59 -0.18 1.37 3.86 -0.20 -0.13 115.15 119.05 1x6f h HIS 48 Ca 0.07 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1x6f h HIS 48 Cb 0.31 0.26 -0.06 0.00 1.06 0.00 0.00 27.41 28.98 1x6f h HIS 48 CO -0.23 -0.20 -0.27 -2.95 0.86 0.00 0.00 177.93 175.15 1x6f h ASN 49 N -0.22 -0.84 -0.94 2.45 -1.07 -1.47 0.26 115.58 113.76 1x6f h ASN 49 Ca 0.01 0.14 0.28 0.00 0.07 0.00 0.00 56.30 56.79 1x6f h ASN 49 Cb 0.25 0.37 -0.15 0.00 -2.07 0.00 0.00 38.32 36.73 1x6f h ASN 49 CO -0.15 -0.31 0.36 -0.33 0.07 0.00 0.00 177.43 177.07 1x6f h GLU 50 N -0.31 0.23 0.02 4.14 4.39 -0.49 0.19 114.58 122.76 1x6f h GLU 50 Ca 0.12 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.59 1x6f h GLU 50 Cb 0.49 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1x6f h GLU 50 CO -0.36 0.15 -0.85 0.93 -1.16 0.00 0.00 179.01 177.72 1x6f h GLU 51 N 0.23 0.54 -0.42 2.33 4.39 0.30 -3.31 114.58 118.64 1x6f h GLU 51 Ca 0.63 -0.61 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1x6f h GLU 51 Cb 1.37 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 30.13 1x6f h GLU 51 CO -0.66 1.23 -0.02 0.35 -1.16 0.00 0.00 179.01 178.75 1x6f h PHE 52 N 0.10 -0.07 -0.93 4.33 3.57 0.23 -1.60 116.94 122.57 1x6f h PHE 52 Ca -0.11 0.03 0.26 0.00 3.53 0.00 0.00 57.97 61.67 1x6f h PHE 52 Cb 1.55 0.09 -0.17 0.00 2.79 0.00 0.00 35.95 40.22 1x6f h PHE 52 CO 0.13 -0.11 0.08 1.96 -2.23 0.00 0.00 178.31 178.14 1x6f h GLN 53 N 0.08 0.06 0.14 1.11 1.08 -1.05 0.44 115.11 116.97 1x6f h GLN 53 Ca 0.20 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1x6f h GLN 53 Cb 0.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1x6f h GLN 53 CO -0.36 0.04 -0.07 0.87 -0.95 0.00 0.00 178.83 178.36 1x6f h LYS 54 N 0.06 -0.18 0.49 1.46 1.57 -1.43 -3.29 116.57 115.24 1x6f h LYS 54 Ca 0.57 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.34 1x6f h LYS 54 Cb 1.17 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1x6f h LYS 54 CO -0.83 -0.08 -0.24 0.00 -0.57 0.00 0.00 179.45 177.73 1x6f h ARG 55 N -0.24 -0.63 -7.00 3.15 -0.00 -0.44 -3.46 114.38 105.76 1x6f h ARG 55 Ca -0.02 0.04 -0.60 0.00 -0.50 0.00 0.00 59.98 58.91 1x6f h ARG 55 Cb 0.19 0.14 -0.28 0.00 0.00 0.00 0.00 29.97 30.02 1x6f h ARG 55 CO 0.03 -0.42 -0.89 0.00 0.00 0.00 0.00 179.97 178.68 1x6f n ALA 56 N -2.38 -1.41 -1.33 0.04 0.00 0.12 -4.81 120.51 110.74 1x6f n ALA 56 Ca -0.08 -0.18 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 1x6f n ALA 56 Cb 0.26 -2.48 0.04 0.00 0.00 0.00 0.00 19.45 17.27 1x6f n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x6f n LYS 57 N -4.27 0.27 -0.15 0.00 5.02 -1.26 -4.87 118.16 112.91 1x6f n LYS 57 Ca 0.01 0.11 -0.07 0.00 -2.02 0.00 0.00 58.31 56.34 1x6f n LYS 57 Cb 0.52 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.08 1x6f n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6f h ARG 58 N -0.04 0.59 -5.81 1.97 3.08 -2.03 -3.40 114.38 108.73 1x6f h ARG 58 Ca -0.44 -0.04 -0.58 0.00 0.07 0.00 0.00 59.98 58.99 1x6f h ARG 58 Cb 1.40 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1x6f h ARG 58 CO 0.43 0.39 0.16 -0.65 -1.07 0.00 0.00 179.97 179.23 1x6f s GLN 59 N -6.16 4.29 0.32 0.04 -0.21 -1.26 -5.04 119.66 111.64 1x6f s GLN 59 Ca -0.13 0.76 -0.00 0.00 0.02 0.00 0.00 55.36 56.01 1x6f s GLN 59 Cb 0.12 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.59 1x6f s GLN 59 CO 0.73 -0.17 0.41 0.39 -2.12 0.00 0.00 175.29 174.53 1x6f n GLU 60 N 4.74 0.59 -3.08 2.91 -0.58 -1.26 -5.11 120.64 118.85 1x6f n GLU 60 Ca -0.00 -2.63 -0.39 0.00 -0.42 0.00 0.00 57.16 53.72 1x6f n GLU 60 Cb 0.50 2.46 -0.06 0.00 -0.57 0.00 0.00 31.44 33.77 1x6f n GLU 60 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1x6f s ARG 61 N -2.82 4.42 0.19 3.49 3.52 -1.26 -5.08 118.95 121.42 1x6f s ARG 61 Ca 0.28 1.00 0.04 0.00 -0.13 0.00 0.00 55.73 56.93 1x6f s ARG 61 Cb -0.00 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1x6f s ARG 61 CO 0.20 0.58 0.24 0.50 -0.81 0.00 0.00 175.30 176.01 1x6f s ARG 62 N -1.22 3.19 0.09 5.12 6.06 -1.26 -5.13 118.95 125.80 1x6f s ARG 62 Ca 0.34 -0.79 -0.11 0.00 -2.50 0.00 0.00 55.73 52.67 1x6f s ARG 62 Cb -0.21 -2.79 0.01 0.00 0.06 0.00 0.00 34.95 32.02 1x6f s ARG 62 CO 0.23 0.47 0.26 -1.59 -2.50 0.00 0.00 175.30 172.18 1x6f s LYS 63 N -3.43 0.89 -0.06 5.12 0.00 -1.26 -5.16 119.74 115.83 1x6f s LYS 63 Ca 0.33 -0.81 -0.06 0.00 0.00 0.00 0.00 55.97 55.43 1x6f s LYS 63 Cb -0.10 0.38 -0.04 0.00 0.00 0.00 0.00 37.83 38.07 1x6f s LYS 63 CO 0.26 -0.30 0.18 1.14 0.00 0.00 0.00 175.35 176.63 1x6f s GLN 64 N -3.59 3.48 -0.04 1.78 -2.07 -1.26 -5.10 119.66 112.85 1x6f s GLN 64 Ca 0.02 -0.16 0.05 0.00 -1.82 0.00 0.00 55.36 53.46 1x6f s GLN 64 Cb 0.03 -3.15 -0.01 0.00 -1.09 0.00 0.00 33.01 28.79 1x6f s GLN 64 CO -0.10 0.73 -0.20 -1.17 -1.32 0.00 0.00 175.29 173.23 1x6f s LEU 65 N -1.40 1.98 -0.01 2.60 2.96 -1.26 -5.14 118.68 118.41 1x6f s LEU 65 Ca 0.21 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1x6f s LEU 65 Cb -0.13 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1x6f s LEU 65 CO 0.10 0.20 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.53 1x6f s LEU 66 N -0.09 3.31 0.00 -0.68 1.43 -1.26 -5.05 118.68 116.34 1x6f s LEU 66 Ca -0.02 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1x6f s LEU 66 Cb -0.12 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1x6f s LEU 66 CO 0.02 0.30 0.00 -1.20 0.23 0.00 0.00 176.35 175.70 1x6f n SER 67 N 1.60 0.00 -4.62 2.29 7.64 -1.26 -5.05 113.62 114.22 1x6f n SER 67 Ca -0.16 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.32 1x6f n SER 67 Cb 0.53 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.71 1x6f n SER 67 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1x6f n LYS 68 N -1.79 1.30 0.00 1.43 0.00 -1.26 -4.94 118.16 112.89 1x6f n LYS 68 Ca 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.78 1x6f n LYS 68 Cb 0.00 -2.12 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 1x6f n LYS 68 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1x6f n GLN 69 N -0.18 0.00 -4.01 -1.58 7.27 -1.26 -5.17 117.38 112.46 1x6f n GLN 69 Ca 0.10 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.07 1x6f n GLN 69 Cb 0.42 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.02 1x6f n GLN 69 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1x6f s LYS 70 N -0.75 1.65 0.18 3.69 -0.14 -1.26 -5.18 119.74 117.92 1x6f s LYS 70 Ca 0.00 -1.37 0.11 0.00 -1.36 0.00 0.00 55.97 53.35 1x6f s LYS 70 Cb 0.00 0.47 -0.04 0.00 -1.68 0.00 0.00 37.83 36.58 1x6f s LYS 70 CO 0.00 -0.69 -0.23 0.71 -0.76 0.00 0.00 175.35 174.38 1x6f s TYR 71 N -3.74 2.17 -0.30 3.18 1.51 -1.26 -5.13 117.35 113.79 1x6f s TYR 71 Ca 0.24 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1x6f s TYR 71 Cb -0.01 -1.09 0.19 0.00 -0.11 0.00 0.00 41.96 40.94 1x6f s TYR 71 CO 0.11 0.43 0.68 0.00 -1.11 0.00 0.00 175.55 175.67 1x6f s ALA 72 N -1.66 -2.46 -0.26 3.71 0.00 -1.26 -5.05 121.76 114.78 1x6f s ALA 72 Ca 0.18 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.82 1x6f s ALA 72 Cb -0.08 -2.22 -0.15 0.00 0.00 0.00 0.00 23.12 20.67 1x6f s ALA 72 CO 0.09 -1.35 -0.23 -3.47 0.00 0.00 0.00 175.76 170.80 1x6f n ASP 73 N 5.44 1.96 0.00 0.00 2.03 -1.26 -5.12 116.55 119.59 1x6f n ASP 73 Ca -0.02 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1x6f n ASP 73 Cb 0.51 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1x6f n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6f n GLY 74 N 1.56 0.76 3.60 0.27 0.00 -1.26 -5.09 105.19 105.03 1x6f n GLY 74 Ca -0.49 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.58 -1.90 0.08 4.61 0.00 -1.26 -5.18 121.76 116.53 1x6f s ALA 75 Ca 0.00 1.75 0.07 0.00 0.00 0.00 0.00 51.96 53.77 1x6f s ALA 75 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1x6f s ALA 75 CO 0.00 -0.29 -0.17 -0.59 0.00 0.00 0.00 175.76 174.71 1x6f s PHE 76 N -0.30 1.48 -0.23 0.00 -0.12 -1.26 -5.15 117.98 112.41 1x6f s PHE 76 Ca -0.01 -0.43 -0.28 0.00 -0.05 0.00 0.00 56.93 56.16 1x6f s PHE 76 Cb -0.03 -0.83 0.15 0.00 -0.63 0.00 0.00 43.02 41.68 1x6f s PHE 76 CO -0.01 0.12 1.14 0.00 -0.05 0.00 0.00 175.22 176.43 1x6f s ALA 77 N -1.19 -2.02 -0.47 1.99 0.00 -1.26 -5.12 121.76 113.69 1x6f s ALA 77 Ca 0.02 1.72 0.03 0.00 0.00 0.00 0.00 51.96 53.73 1x6f s ALA 77 Cb -0.10 -1.16 0.13 0.00 0.00 0.00 0.00 23.12 22.00 1x6f s ALA 77 CO 0.03 -0.25 0.25 0.16 0.00 0.00 0.00 175.76 175.95 1x6f s ASP 78 N -0.72 3.89 0.13 0.00 -4.77 -1.26 -5.08 116.67 108.86 1x6f s ASP 78 Ca 0.03 -2.79 -0.25 0.00 -3.30 0.00 0.00 52.55 46.24 1x6f s ASP 78 Cb -0.02 -1.25 0.08 0.00 -1.09 0.00 0.00 42.92 40.64 1x6f s ASP 78 CO -0.04 -0.25 1.05 0.72 0.70 0.00 0.00 175.17 177.35 1x6f s PHE 79 N 0.09 -0.06 -0.17 2.11 -0.71 -1.26 -5.19 117.98 112.79 1x6f s PHE 79 Ca 0.18 -0.23 -0.34 0.00 -1.04 0.00 0.00 56.93 55.49 1x6f s PHE 79 Cb -0.24 0.64 0.14 0.00 -1.21 0.00 0.00 43.02 42.34 1x6f s PHE 79 CO -0.00 -0.74 1.20 -1.59 -1.34 0.00 0.00 175.22 172.74 1x6f s LYS 80 N -2.83 0.34 -0.21 1.99 0.00 -1.26 -5.17 119.74 112.60 1x6f s LYS 80 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 55.97 55.90 1x6f s LYS 80 Cb -0.01 0.15 0.08 0.00 0.00 0.00 0.00 37.83 38.06 1x6f s LYS 80 CO 0.02 -0.15 0.47 -0.65 0.00 0.00 0.00 175.35 175.04 1x6f s GLN 81 N -2.46 0.42 -0.18 1.78 -1.52 -1.26 -5.03 119.66 111.41 1x6f s GLN 81 Ca 0.09 1.02 -0.02 0.00 -1.95 0.00 0.00 55.36 54.51 1x6f s GLN 81 Cb -0.01 0.24 0.06 0.00 -0.22 0.00 0.00 33.01 33.08 1x6f s GLN 81 CO -0.05 -0.20 2.30 0.39 -0.25 0.00 0.00 175.29 177.48 1x6f n GLU 82 N 4.87 1.60 -3.91 2.91 1.02 -1.26 -4.89 120.64 120.98 1x6f n GLU 82 Ca -0.16 -1.00 -0.37 0.00 -0.02 0.00 0.00 57.16 55.62 1x6f n GLU 82 Cb 0.53 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1x6f n GLU 82 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x6f s SER 83 N 1.10 6.28 0.00 1.62 0.15 -1.26 -4.91 113.70 116.69 1x6f s SER 83 Ca 0.27 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1x6f s SER 83 Cb 0.18 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1x6f s SER 83 CO -0.03 0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1x6f n GLY 84 N 2.13 0.60 3.77 9.45 0.00 -1.26 -5.09 105.19 114.79 1x6f n GLY 84 Ca -0.20 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 3.90 -1.34 1.61 0.04 -1.26 -3.46 135.00 134.49 1x6f s PRO 85 Ca 0.00 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 1x6f s PRO 85 Cb 0.00 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 32.01 1x6f s PRO 85 CO 0.00 -0.45 1.03 0.43 0.04 0.00 0.00 177.00 178.05 1x6f n SER 86 N -0.20 -4.11 -4.28 6.66 7.64 -1.26 -4.95 113.62 113.12 1x6f n SER 86 Ca 0.06 -0.65 -0.44 0.00 1.01 0.00 0.00 58.87 58.85 1x6f n SER 86 Cb 0.47 -4.70 -0.07 0.00 -1.01 0.00 0.00 64.21 58.90 1x6f n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6f s SER 87 N -3.76 5.98 0.00 6.43 1.04 -1.22 -5.11 113.70 117.05 1x6f s SER 87 Ca 0.35 -1.79 0.24 0.00 0.48 0.00 0.00 55.95 55.23 1x6f s SER 87 Cb -0.16 -2.12 0.21 0.00 0.10 0.00 0.00 66.02 64.05 1x6f s SER 87 CO 0.76 -0.77 1.27 0.61 0.98 0.00 0.00 173.24 176.09