#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 -0.34 -0.22 1.61 0.01 -1.26 -5.18 113.70 108.33 1x6f s SER 2 Ca 0.00 0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 1x6f s SER 2 Cb 0.00 0.45 0.09 0.00 0.21 0.00 0.00 66.02 66.76 1x6f s SER 2 CO 0.00 -0.68 0.81 -0.44 0.41 0.00 0.00 173.24 173.35 1x6f s SER 3 N -1.97 -0.63 -0.07 2.44 0.01 -1.26 -5.18 113.70 107.04 1x6f s SER 3 Ca -0.06 1.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.99 1x6f s SER 3 Cb -0.01 1.05 0.10 0.00 0.21 0.00 0.00 66.02 67.37 1x6f s SER 3 CO -0.02 -0.30 0.87 -0.83 0.41 0.00 0.00 173.24 173.37 1x6f s GLY 4 N -0.08 -0.41 -0.23 3.44 0.00 -1.26 -5.18 107.32 103.60 1x6f s GLY 4 Ca -0.01 1.50 -0.27 0.00 0.00 0.00 0.00 44.72 45.94 1x6f s GLY 4 CO 0.01 0.78 1.04 -1.35 0.00 0.00 0.00 173.10 173.58 1x6f s SER 5 N -1.58 -0.39 -0.00 1.64 1.04 -1.26 -5.18 113.70 107.96 1x6f s SER 5 Ca -0.02 0.62 -0.13 0.00 0.48 0.00 0.00 55.95 56.90 1x6f s SER 5 Cb -0.01 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1x6f s SER 5 CO -0.00 -0.23 0.27 -0.55 0.98 0.00 0.00 173.24 173.71 1x6f s SER 6 N -0.38 -0.13 0.00 7.02 0.15 -1.26 -5.16 113.70 113.94 1x6f s SER 6 Ca 0.01 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1x6f s SER 6 Cb -0.03 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1x6f s SER 6 CO -0.03 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1x6f n GLY 7 N 1.22 0.92 3.35 9.45 0.00 -1.26 -5.16 105.19 113.70 1x6f n GLY 7 Ca -0.21 0.53 0.02 0.00 0.00 0.00 0.00 46.02 46.36 1x6f n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x6f s LEU 8 N 0.00 -0.33 -0.29 0.99 1.98 -1.26 -5.17 118.68 114.60 1x6f s LEU 8 Ca 0.00 0.46 -0.17 0.00 -2.89 0.00 0.00 54.13 51.53 1x6f s LEU 8 Cb 0.00 1.38 0.18 0.00 0.66 0.00 0.00 46.19 48.41 1x6f s LEU 8 CO 0.00 -0.06 1.16 -0.75 -1.89 0.00 0.00 176.35 174.80 1x6f s LYS 9 N 2.11 0.19 0.37 1.98 2.47 -1.26 -5.19 119.74 120.41 1x6f s LYS 9 Ca -0.02 0.32 -0.14 0.00 -1.56 0.00 0.00 55.97 54.57 1x6f s LYS 9 Cb -0.03 0.05 0.04 0.00 -1.46 0.00 0.00 37.83 36.43 1x6f s LYS 9 CO -0.16 -0.04 0.74 -0.98 0.16 0.00 0.00 175.35 175.07 1x6f s ARG 10 N 1.04 2.16 0.20 4.03 3.03 -1.26 -5.19 118.95 122.95 1x6f s ARG 10 Ca -0.07 -1.45 -0.22 0.00 2.03 0.00 0.00 55.73 56.02 1x6f s ARG 10 Cb -0.03 0.60 0.07 0.00 -1.03 0.00 0.00 34.95 34.56 1x6f s ARG 10 CO -0.12 -0.99 1.00 0.16 -1.13 0.00 0.00 175.30 174.22 1x6f s ASP 11 N -3.08 -0.03 0.30 -2.89 -4.77 -1.26 -5.19 116.67 99.75 1x6f s ASP 11 Ca 0.17 -0.67 0.04 0.00 -3.30 0.00 0.00 52.55 48.79 1x6f s ASP 11 Cb -0.04 0.53 -0.03 0.00 -1.09 0.00 0.00 42.92 42.28 1x6f s ASP 11 CO 0.12 -1.04 0.19 0.72 0.70 0.00 0.00 175.17 175.86 1x6f s PHE 12 N -2.40 1.59 -0.00 2.11 -0.71 -1.26 -5.17 117.98 112.13 1x6f s PHE 12 Ca 0.19 -1.45 0.00 0.00 -1.04 0.00 0.00 56.93 54.63 1x6f s PHE 12 Cb -0.03 -0.79 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1x6f s PHE 12 CO 0.05 -0.63 -0.01 0.42 -1.34 0.00 0.00 175.22 173.71 1x6f s ILE 13 N -3.62 0.09 -0.17 -4.49 1.01 -1.26 -5.14 121.20 107.61 1x6f s ILE 13 Ca 0.37 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 61.00 1x6f s ILE 13 Cb 0.04 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.44 1x6f s ILE 13 CO 0.19 0.03 -0.20 -0.63 0.00 0.00 0.00 174.94 174.34 1x6f s ILE 14 N 0.06 2.03 0.43 2.92 -1.09 -1.26 -5.13 121.20 119.16 1x6f s ILE 14 Ca -0.00 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.52 1x6f s ILE 14 Cb -0.01 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1x6f s ILE 14 CO -0.00 0.54 0.61 -0.76 -1.23 0.00 0.00 174.94 174.10 1x6f s LEU 15 N 1.19 3.69 0.00 2.97 2.01 -1.26 -5.09 118.68 122.19 1x6f s LEU 15 Ca 0.02 0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.19 1x6f s LEU 15 Cb -0.14 -2.94 0.00 0.00 0.01 0.00 0.00 46.19 43.12 1x6f s LEU 15 CO -0.10 -0.69 0.00 0.61 1.01 0.00 0.00 176.35 177.18 1x6f n GLY 16 N -1.96 3.94 2.89 -3.19 0.00 -1.26 -5.17 105.19 100.44 1x6f n GLY 16 Ca 0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1x6f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6f s ASN 17 N 1.86 0.25 0.00 1.61 2.20 -1.26 -5.13 114.94 114.47 1x6f s ASN 17 Ca 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 52.86 51.89 1x6f s ASN 17 Cb 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 41.25 39.20 1x6f s ASN 17 CO 0.00 0.01 0.00 0.61 -2.94 0.00 0.00 177.10 174.78 1x6f n GLY 18 N 3.17 0.60 3.62 0.45 0.00 -1.26 -4.94 105.19 106.83 1x6f n GLY 18 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 1.25 3.72 0.53 1.61 0.04 -1.26 -5.01 135.00 135.89 1x6f s PRO 19 Ca 0.00 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1x6f s PRO 19 Cb 0.00 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.50 1x6f s PRO 19 CO 0.00 -1.38 0.77 1.03 0.04 0.00 0.00 177.00 177.46 1x6f s ARG 20 N 4.82 2.81 -0.25 4.56 1.81 -1.26 -5.07 118.95 126.37 1x6f s ARG 20 Ca 0.72 -0.47 -0.14 0.00 -1.72 0.00 0.00 55.73 54.12 1x6f s ARG 20 Cb -0.24 -2.45 -0.04 0.00 -0.45 0.00 0.00 34.95 31.77 1x6f s ARG 20 CO 0.30 -0.56 0.34 -0.51 -0.68 0.00 0.00 175.30 174.19 1x6f s LEU 21 N -4.76 4.08 -0.32 2.53 2.01 -1.26 -5.06 118.68 115.90 1x6f s LEU 21 Ca 0.53 0.31 -0.14 0.00 0.01 0.00 0.00 54.13 54.85 1x6f s LEU 21 Cb -0.10 -2.39 -0.02 0.00 0.01 0.00 0.00 46.19 43.68 1x6f s LEU 21 CO 0.40 -0.12 0.29 -1.58 1.01 0.00 0.00 176.35 176.35 1x6f s GLN 22 N 1.73 3.67 -0.10 1.70 -0.44 -1.26 -5.05 119.66 119.91 1x6f s GLN 22 Ca 0.15 -0.42 -0.04 0.00 -2.50 0.00 0.00 55.36 52.55 1x6f s GLN 22 Cb -0.15 -3.76 0.05 0.00 -1.64 0.00 0.00 33.01 27.51 1x6f s GLN 22 CO 0.09 -0.40 0.20 1.21 0.50 0.00 0.00 175.29 176.89 1x6f s ASN 23 N 1.72 0.40 -0.40 6.67 3.84 -1.26 -5.10 114.94 120.81 1x6f s ASN 23 Ca 0.09 0.44 -0.32 0.00 0.21 0.00 0.00 52.86 53.29 1x6f s ASN 23 Cb -0.17 0.43 -0.10 0.00 -0.55 0.00 0.00 41.25 40.86 1x6f s ASN 23 CO 0.11 -0.22 2.28 -1.20 -2.79 0.00 0.00 177.10 175.28 1x6f n SER 24 N 5.08 2.25 -4.30 -4.21 7.64 -1.26 -4.93 113.62 113.89 1x6f n SER 24 Ca -0.10 0.18 -0.28 0.00 1.01 0.00 0.00 58.87 59.68 1x6f n SER 24 Cb 0.50 -1.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.20 1x6f n SER 24 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1x6f s THR 25 N 8.54 1.91 -0.15 0.44 -4.23 -1.26 -4.84 115.64 116.05 1x6f s THR 25 Ca 1.08 -1.26 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 1x6f s THR 25 Cb -0.66 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 1x6f s THR 25 CO 0.42 0.33 1.35 -0.31 -0.54 0.00 0.00 174.62 175.87 1x6f s TYR 26 N -0.76 2.65 -0.90 3.99 1.51 0.19 -4.76 117.35 119.25 1x6f s TYR 26 Ca 0.10 0.83 -0.17 0.00 -1.01 0.00 0.00 57.07 56.81 1x6f s TYR 26 Cb -0.09 -3.62 0.16 0.00 -0.11 0.00 0.00 41.96 38.30 1x6f s TYR 26 CO 0.02 -2.16 1.02 -1.14 -1.11 0.00 0.00 175.55 172.17 1x6f s GLN 27 N 3.67 3.62 0.29 -0.62 2.00 -1.26 -0.72 119.66 126.64 1x6f s GLN 27 Ca 0.59 -2.02 -0.27 0.00 -2.00 0.00 0.00 55.36 51.66 1x6f s GLN 27 Cb -0.24 -4.76 -0.15 0.00 0.80 0.00 0.00 33.01 28.67 1x6f s GLN 27 CO 0.18 -1.61 0.70 0.00 -0.50 0.00 0.00 175.29 174.07 1x6f n LYS 29 N 0.81 4.25 -0.01 0.00 0.00 -1.26 -2.34 118.16 119.61 1x6f n LYS 29 Ca 0.13 -3.11 -0.02 0.00 -0.00 0.00 0.00 58.31 55.32 1x6f n LYS 29 Cb 0.31 -2.19 -0.02 0.00 -0.00 0.00 0.00 35.03 33.14 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 0.21 0.00 -0.58 5.58 8.25 -1.26 -4.81 115.22 122.60 1x6f n HIS 30 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1x6f n HIS 30 Cb 1.20 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 32.19 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 -0.04 -5.34 -3.17 0.00 9.92 -0.99 -5.02 116.55 111.92 1x6f n ASP 32 Ca 0.00 -0.42 -0.13 0.00 -0.53 0.00 0.00 54.79 53.71 1x6f n ASP 32 Cb 0.15 -4.03 0.08 0.00 -0.64 0.00 0.00 41.12 36.67 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1x6f n SER 33 N -2.03 0.44 -3.71 -2.24 2.88 -1.25 -4.81 113.62 102.90 1x6f n SER 33 Ca 0.00 -1.45 -0.27 0.00 -1.33 0.00 0.00 58.87 55.83 1x6f n SER 33 Cb 0.55 -0.40 -0.17 0.00 -0.75 0.00 0.00 64.21 63.44 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 -4.03 0.49 0.29 -1.46 1.02 -1.25 -2.46 119.74 112.34 1x6f s LYS 34 Ca 0.35 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.16 1x6f s LYS 34 Cb -0.02 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1x6f s LYS 34 CO 0.24 -0.60 0.14 -0.51 -0.92 0.00 0.00 175.35 173.70 1x6f s LEU 35 N 1.95 3.46 -0.01 3.17 1.02 0.10 -4.87 118.68 123.50 1x6f s LEU 35 Ca 0.01 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.58 1x6f s LEU 35 Cb -0.16 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 1x6f s LEU 35 CO -0.08 -0.14 0.49 1.56 0.02 0.00 0.00 176.35 178.21 1x6f h GLN 36 N 1.59 -0.16 -4.83 1.70 1.08 -1.88 0.54 115.11 113.14 1x6f h GLN 36 Ca -0.45 0.01 -0.41 0.00 -1.45 0.00 0.00 58.65 56.34 1x6f h GLN 36 Cb 1.25 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 28.58 1x6f h GLN 36 CO 0.61 -0.11 -0.53 -1.54 -0.95 0.00 0.00 178.83 176.31 1x6f s SER 37 N -3.24 1.35 0.23 1.46 1.04 -1.26 -4.15 113.70 109.13 1x6f s SER 37 Ca -0.02 -1.64 -0.07 0.00 0.48 0.00 0.00 55.95 54.70 1x6f s SER 37 Cb 0.00 0.49 0.39 0.00 0.10 0.00 0.00 66.02 67.00 1x6f s SER 37 CO 0.07 -0.98 1.68 0.74 0.98 0.00 0.00 173.24 175.74 1x6f h THR 38 N 2.24 0.53 -1.44 2.02 2.02 -1.99 0.92 112.91 117.22 1x6f h THR 38 Ca -0.29 -0.08 0.46 0.00 0.77 0.00 0.00 66.41 67.26 1x6f h THR 38 Cb 1.24 0.28 -0.11 0.00 -1.74 0.00 0.00 68.15 67.81 1x6f h THR 38 CO 0.44 0.04 0.96 0.00 0.37 0.00 0.00 175.52 177.33 1x6f h ALA 39 N 1.58 2.98 0.21 6.16 0.00 -2.00 0.94 119.26 129.13 1x6f h ALA 39 Ca 0.38 0.07 -0.33 0.00 0.00 0.00 0.00 54.91 55.02 1x6f h ALA 39 Cb 0.62 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1x6f h ALA 39 CO -0.50 -1.58 -1.54 0.93 0.00 0.00 0.00 179.25 176.56 1x6f h GLU 40 N 0.06 0.44 -0.47 0.00 5.08 -1.23 -3.32 114.58 115.14 1x6f h GLU 40 Ca 0.83 -0.76 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1x6f h GLU 40 Cb 2.80 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 32.30 1x6f h GLU 40 CO -0.31 1.35 0.08 1.25 -1.00 0.00 0.00 179.01 180.38 1x6f h LEU 41 N 0.12 0.67 -1.55 1.33 5.85 0.10 0.14 115.31 121.97 1x6f h LEU 41 Ca -0.27 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.40 1x6f h LEU 41 Cb 2.12 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 1x6f h LEU 41 CO 0.23 0.69 0.40 0.74 -0.34 0.00 0.00 178.44 180.16 1x6f h THR 42 N 0.70 0.97 0.09 1.05 2.02 -0.76 0.17 112.91 117.14 1x6f h THR 42 Ca 0.15 -0.18 -0.33 0.00 0.77 0.00 0.00 66.41 66.82 1x6f h THR 42 Cb 0.31 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1x6f h THR 42 CO 0.00 0.10 -1.82 -1.20 0.37 0.00 0.00 175.52 172.98 1x6f n SER 43 N -4.48 2.05 0.23 4.18 7.64 -0.93 -3.94 113.62 118.37 1x6f n SER 43 Ca 0.09 0.26 -0.15 0.00 1.01 0.00 0.00 58.87 60.08 1x6f n SER 43 Cb 0.27 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 62.51 1x6f n SER 43 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1x6f h HIS 44 N -0.25 -0.62 -0.73 1.43 6.17 -0.51 -2.81 115.15 117.83 1x6f h HIS 44 Ca -0.41 -0.01 0.16 0.00 0.71 0.00 0.00 60.37 60.82 1x6f h HIS 44 Cb 1.82 0.22 -0.12 0.00 2.52 0.00 0.00 27.41 31.85 1x6f h HIS 44 CO 0.08 -0.36 0.03 -0.07 0.71 0.00 0.00 177.93 178.32 1x6f h LEU 45 N -0.59 -0.27 -1.00 0.26 3.38 -0.88 0.14 115.31 116.35 1x6f h LEU 45 Ca -0.04 0.18 0.40 0.00 0.09 0.00 0.00 57.88 58.51 1x6f h LEU 45 Cb 0.49 0.31 -0.17 0.00 0.09 0.00 0.00 40.66 41.37 1x6f h LEU 45 CO 0.04 -0.15 0.54 0.78 0.09 0.00 0.00 178.44 179.74 1x6f h ASN 46 N 0.13 0.36 -0.58 -0.43 2.35 -1.62 0.47 115.58 116.26 1x6f h ASN 46 Ca 0.40 0.24 0.12 0.00 -0.55 0.00 0.00 56.30 56.51 1x6f h ASN 46 Cb 0.70 0.24 -0.10 0.00 0.05 0.00 0.00 38.32 39.21 1x6f h ASN 46 CO -0.62 -0.37 -0.06 0.40 -1.65 0.00 0.00 177.43 175.13 1x6f h ILE 47 N 0.07 0.48 -0.45 2.81 2.04 -0.77 -0.55 117.51 121.14 1x6f h ILE 47 Ca 0.82 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.66 1x6f h ILE 47 Cb 2.11 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1x6f h ILE 47 CO -0.73 0.01 0.29 0.45 0.00 0.00 0.00 178.15 178.17 1x6f h HIS 48 N 0.06 0.57 -0.39 1.37 3.86 -0.18 -2.09 115.15 118.35 1x6f h HIS 48 Ca 0.29 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 1x6f h HIS 48 Cb 0.46 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1x6f h HIS 48 CO -0.40 0.37 0.01 -0.91 0.86 0.00 0.00 177.93 177.85 1x6f h ASN 49 N 0.60 -0.15 -0.43 2.45 4.21 -1.01 0.20 115.58 121.46 1x6f h ASN 49 Ca 0.16 0.09 0.02 0.00 1.21 0.00 0.00 56.30 57.78 1x6f h ASN 49 Cb -0.05 0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.28 1x6f h ASN 49 CO -0.03 -0.04 0.26 -0.33 -1.29 0.00 0.00 177.43 176.00 1x6f h GLU 50 N 0.11 0.51 -0.62 0.81 4.39 -0.97 -2.62 114.58 116.19 1x6f h GLU 50 Ca 0.19 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1x6f h GLU 50 Cb 0.27 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1x6f h GLU 50 CO -0.32 0.34 0.28 0.93 -1.16 0.00 0.00 179.01 179.08 1x6f h GLU 51 N 0.53 0.90 -0.86 2.33 5.08 -0.67 -2.85 114.58 119.05 1x6f h GLU 51 Ca 0.17 -0.14 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 1x6f h GLU 51 Cb -0.00 -0.16 -0.14 0.00 0.50 0.00 0.00 28.75 28.95 1x6f h GLU 51 CO -0.07 0.74 0.15 0.35 -1.00 0.00 0.00 179.01 179.18 1x6f h PHE 52 N 0.85 0.19 -0.54 4.33 3.57 -0.23 0.11 116.94 125.23 1x6f h PHE 52 Ca 0.21 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.87 1x6f h PHE 52 Cb 0.15 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1x6f h PHE 52 CO 0.00 -0.24 -0.16 1.96 -2.23 0.00 0.00 178.31 177.64 1x6f h GLN 53 N 0.16 -0.03 0.10 1.11 4.20 -1.43 0.40 115.11 119.61 1x6f h GLN 53 Ca 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.23 1x6f h GLN 53 Cb 1.02 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1x6f h GLN 53 CO -0.69 -0.02 -0.07 0.87 -0.67 0.00 0.00 178.83 178.25 1x6f h LYS 54 N -0.03 -0.17 -0.59 1.46 1.57 -0.91 -2.08 116.57 115.81 1x6f h LYS 54 Ca 0.26 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.19 1x6f h LYS 54 Cb 0.42 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1x6f h LYS 54 CO -0.57 -0.11 0.41 -0.09 -0.57 0.00 0.00 179.45 178.52 1x6f h ARG 55 N -0.17 0.16 -4.12 3.15 9.65 -0.78 -3.21 114.38 119.05 1x6f h ARG 55 Ca -0.00 -0.01 -0.71 0.00 -1.10 0.00 0.00 59.98 58.16 1x6f h ARG 55 Cb 0.16 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 1x6f h ARG 55 CO -0.00 0.10 3.06 0.00 2.80 0.00 0.00 179.97 185.92 1x6f n ALA 56 N -2.59 5.41 -3.83 2.80 0.00 0.04 -4.91 120.51 117.43 1x6f n ALA 56 Ca 0.11 -3.89 -0.25 0.00 0.00 0.00 0.00 53.44 49.41 1x6f n ALA 56 Cb 0.55 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 6.22 0.77 -1.61 0.00 5.02 -1.22 -4.96 118.16 122.38 1x6f n LYS 57 Ca 0.52 -3.05 -0.31 0.00 -2.02 0.00 0.00 58.31 53.45 1x6f n LYS 57 Cb 0.39 0.32 0.06 0.00 -0.02 0.00 0.00 35.03 35.78 1x6f n LYS 57 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1x6f s ARG 58 N -4.01 2.72 1.08 1.97 3.52 -1.26 -5.01 118.95 117.96 1x6f s ARG 58 Ca 0.28 0.81 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 1x6f s ARG 58 Cb -0.02 -1.98 0.03 0.00 -1.56 0.00 0.00 34.95 31.42 1x6f s ARG 58 CO 0.18 -1.22 -0.31 0.94 -0.81 0.00 0.00 175.30 174.08 1x6f n GLN 59 N -3.19 -1.13 -3.17 5.12 -0.06 -1.26 -4.01 117.38 109.68 1x6f n GLN 59 Ca 0.07 -0.32 -0.14 0.00 -2.00 0.00 0.00 57.00 54.61 1x6f n GLN 59 Cb 0.55 -1.55 0.07 0.00 -4.06 0.00 0.00 30.24 25.25 1x6f n GLN 59 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1x6f n GLU 60 N -0.98 -4.17 -4.36 3.69 -0.58 -1.26 -5.02 120.64 107.97 1x6f n GLU 60 Ca 0.00 0.76 -0.33 0.00 -0.42 0.00 0.00 57.16 57.17 1x6f n GLU 60 Cb 0.64 -5.43 -0.09 0.00 -0.57 0.00 0.00 31.44 25.99 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 -4.78 2.80 1.03 3.49 3.52 -1.26 -5.11 118.95 118.65 1x6f s ARG 61 Ca 0.18 -0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 55.10 1x6f s ARG 61 Cb -0.02 -2.67 0.21 0.00 -1.56 0.00 0.00 34.95 30.90 1x6f s ARG 61 CO 0.65 0.64 1.08 -0.98 -0.81 0.00 0.00 175.30 175.89 1x6f s ARG 62 N -1.31 0.15 0.09 5.12 1.70 -1.26 -5.06 118.95 118.38 1x6f s ARG 62 Ca 0.17 1.07 0.05 0.00 -0.47 0.00 0.00 55.73 56.56 1x6f s ARG 62 Cb -0.11 -1.66 -0.03 0.00 -0.57 0.00 0.00 34.95 32.57 1x6f s ARG 62 CO 0.07 -3.07 -0.14 0.21 -1.08 0.00 0.00 175.30 171.29 1x6f s LYS 63 N -4.62 0.88 0.88 3.89 2.36 -1.26 -5.16 119.74 116.72 1x6f s LYS 63 Ca 0.67 -1.05 -0.14 0.00 -2.55 0.00 0.00 55.97 52.91 1x6f s LYS 63 Cb -0.23 -0.85 0.13 0.00 -1.05 0.00 0.00 37.83 35.83 1x6f s LYS 63 CO 0.61 0.18 1.22 1.14 1.55 0.00 0.00 175.35 180.05 1x6f s GLN 64 N -2.04 1.34 0.32 4.03 -2.07 -1.26 -5.09 119.66 114.90 1x6f s GLN 64 Ca 0.01 -0.04 0.07 0.00 -1.82 0.00 0.00 55.36 53.58 1x6f s GLN 64 Cb -0.08 -1.89 -0.02 0.00 -1.09 0.00 0.00 33.01 29.92 1x6f s GLN 64 CO 0.02 -2.00 0.33 -0.51 -1.32 0.00 0.00 175.29 171.81 1x6f s LEU 65 N -5.77 3.74 -0.07 2.60 1.02 -1.26 -5.14 118.68 113.81 1x6f s LEU 65 Ca 0.66 -0.37 -0.08 0.00 0.02 0.00 0.00 54.13 54.36 1x6f s LEU 65 Cb -0.09 -2.39 0.02 0.00 0.02 0.00 0.00 46.19 43.75 1x6f s LEU 65 CO 0.51 -0.32 0.22 -1.48 0.02 0.00 0.00 176.35 175.30 1x6f s LEU 66 N -4.02 1.16 0.82 1.79 2.34 -1.26 -5.17 118.68 114.34 1x6f s LEU 66 Ca 0.41 0.37 -0.06 0.00 0.06 0.00 0.00 54.13 54.90 1x6f s LEU 66 Cb -0.07 0.80 0.16 0.00 -0.56 0.00 0.00 46.19 46.52 1x6f s LEU 66 CO 0.28 -0.13 1.12 -0.44 -1.06 0.00 0.00 176.35 176.12 1x6f s SER 67 N -0.12 3.82 0.56 1.48 0.01 -1.26 -5.12 113.70 113.07 1x6f s SER 67 Ca -0.02 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.10 1x6f s SER 67 Cb -0.02 -0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.26 1x6f s SER 67 CO 0.01 -2.24 0.55 -0.54 0.41 0.00 0.00 173.24 171.43 1x6f s LYS 68 N -5.43 2.26 0.71 12.44 -0.14 -1.26 -5.14 119.74 123.19 1x6f s LYS 68 Ca 0.70 -1.89 -0.00 0.00 -1.36 0.00 0.00 55.97 53.41 1x6f s LYS 68 Cb -0.04 -2.30 0.12 0.00 -1.68 0.00 0.00 37.83 33.94 1x6f s LYS 68 CO 0.48 -0.73 0.98 -0.65 -0.76 0.00 0.00 175.35 174.67 1x6f s GLN 69 N -4.43 1.72 -0.13 1.68 1.11 -1.26 -5.04 119.66 113.32 1x6f s GLN 69 Ca 0.44 -1.15 0.18 0.00 0.01 0.00 0.00 55.36 54.84 1x6f s GLN 69 Cb -0.03 -2.35 -0.25 0.00 -1.01 0.00 0.00 33.01 29.36 1x6f s GLN 69 CO 0.28 -1.40 0.29 1.17 0.01 0.00 0.00 175.29 175.63 1x6f n LYS 70 N -2.79 0.67 -3.70 2.91 3.00 -1.26 -5.01 118.16 111.98 1x6f n LYS 70 Ca 0.15 0.02 -0.21 0.00 -0.00 0.00 0.00 58.31 58.27 1x6f n LYS 70 Cb 0.61 -1.58 0.03 0.00 0.00 0.00 0.00 35.03 34.08 1x6f n LYS 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1x6f n TYR 71 N -2.72 -1.92 -0.66 5.64 4.02 -1.26 -4.97 117.16 115.30 1x6f n TYR 71 Ca -0.24 0.84 -0.27 0.00 -0.01 0.00 0.00 57.90 58.22 1x6f n TYR 71 Cb 1.02 -4.39 0.24 0.00 -0.02 0.00 0.00 39.34 36.19 1x6f n TYR 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x6f n ALA 72 N -4.28 -3.73 -2.85 -0.72 0.00 -1.26 -5.09 120.51 102.59 1x6f n ALA 72 Ca -0.30 -1.41 -0.10 0.00 0.00 0.00 0.00 53.44 51.63 1x6f n ALA 72 Cb 0.68 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 1x6f n ALA 72 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1x6f s ASP 73 N -3.65 -0.08 -0.30 0.00 1.47 -1.26 -5.16 116.67 107.68 1x6f s ASP 73 Ca 0.62 -0.52 -0.19 0.00 1.18 0.00 0.00 52.55 53.64 1x6f s ASP 73 Cb -0.08 0.44 0.19 0.00 -0.34 0.00 0.00 42.92 43.13 1x6f s ASP 73 CO 0.49 -0.84 1.26 -0.83 0.68 0.00 0.00 175.17 175.93 1x6f s GLY 74 N -2.85 0.28 -0.10 2.12 0.00 -1.26 -5.09 107.32 100.42 1x6f s GLY 74 Ca 0.06 3.63 -0.11 0.00 0.00 0.00 0.00 44.72 48.30 1x6f s GLY 74 CO -0.09 3.29 -0.21 0.00 0.00 0.00 0.00 173.10 176.10 1x6f n ALA 75 N 4.41 0.78 -2.78 3.20 0.00 -1.26 -4.99 120.51 119.86 1x6f n ALA 75 Ca -0.08 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 1x6f n ALA 75 Cb 0.55 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 1x6f n ALA 75 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x6f s PHE 76 N -2.18 3.56 0.02 0.00 -0.71 -1.26 -5.00 117.98 112.41 1x6f s PHE 76 Ca -0.17 0.56 -0.03 0.00 -1.04 0.00 0.00 56.93 56.24 1x6f s PHE 76 Cb 0.02 -2.07 -0.01 0.00 -1.21 0.00 0.00 43.02 39.75 1x6f s PHE 76 CO 0.25 0.58 -0.07 0.00 -1.34 0.00 0.00 175.22 174.65 1x6f n ALA 77 N 2.44 2.36 -3.61 1.99 0.00 -1.26 -5.14 120.51 117.30 1x6f n ALA 77 Ca -0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1x6f n ALA 77 Cb 0.54 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1x6f n ALA 77 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1x6f s ASP 78 N -5.61 -0.11 -0.14 0.00 -4.77 -1.26 -5.15 116.67 99.62 1x6f s ASP 78 Ca -0.05 -0.06 -0.04 0.00 -3.30 0.00 0.00 52.55 49.10 1x6f s ASP 78 Cb 0.01 0.16 0.05 0.00 -1.09 0.00 0.00 42.92 42.05 1x6f s ASP 78 CO 0.08 -0.28 0.08 -0.36 0.70 0.00 0.00 175.17 175.39 1x6f s PHE 79 N -2.46 0.21 -0.18 2.11 0.40 -1.26 -5.13 117.98 111.67 1x6f s PHE 79 Ca 0.11 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 55.93 1x6f s PHE 79 Cb 0.01 -0.66 0.14 0.00 0.51 0.00 0.00 43.02 43.02 1x6f s PHE 79 CO -0.04 -0.44 1.08 0.21 0.70 0.00 0.00 175.22 176.73 1x6f s LYS 80 N 2.13 0.47 0.63 0.44 2.47 -1.26 -5.16 119.74 119.47 1x6f s LYS 80 Ca 0.03 0.08 -0.18 0.00 -1.56 0.00 0.00 55.97 54.34 1x6f s LYS 80 Cb -0.15 0.22 -0.02 0.00 -1.46 0.00 0.00 37.83 36.42 1x6f s LYS 80 CO -0.08 -0.15 1.24 -0.65 0.16 0.00 0.00 175.35 175.87 1x6f s GLN 81 N -1.25 2.72 0.22 4.03 -0.21 -1.26 -5.04 119.66 118.87 1x6f s GLN 81 Ca 0.01 1.91 -0.07 0.00 0.02 0.00 0.00 55.36 57.23 1x6f s GLN 81 Cb -0.01 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1x6f s GLN 81 CO -0.01 -1.42 0.30 -1.21 -2.12 0.00 0.00 175.29 170.82 1x6f s GLU 82 N -3.42 1.35 0.29 2.91 0.41 -1.26 -5.19 118.70 113.80 1x6f s GLU 82 Ca 0.79 -1.43 0.01 0.00 -0.41 0.00 0.00 54.97 53.93 1x6f s GLU 82 Cb -0.33 0.37 -0.03 0.00 -1.78 0.00 0.00 34.13 32.36 1x6f s GLU 82 CO 0.37 -0.51 0.28 -1.54 -0.49 0.00 0.00 175.26 173.38 1x6f s SER 83 N -3.08 0.94 -0.16 -0.19 1.04 -1.26 -5.18 113.70 105.80 1x6f s SER 83 Ca 0.30 -1.54 -0.28 0.00 0.48 0.00 0.00 55.95 54.91 1x6f s SER 83 Cb 0.03 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.76 1x6f s SER 83 CO 0.10 -1.05 0.74 -0.83 0.98 0.00 0.00 173.24 173.19 1x6f s GLY 84 N -3.26 -0.51 0.36 7.32 0.00 -1.26 -5.18 107.32 104.80 1x6f s GLY 84 Ca 0.37 1.74 -0.06 0.00 0.00 0.00 0.00 44.72 46.77 1x6f s GLY 84 CO 0.20 1.33 0.32 -1.55 0.00 0.00 0.00 173.10 173.41 1x6f n PRO 85 N 1.68 -1.66 -2.95 2.90 -0.04 -1.26 -5.07 135.00 128.60 1x6f n PRO 85 Ca -0.16 -0.52 -0.18 0.00 -0.04 0.00 0.00 63.50 62.61 1x6f n PRO 85 Cb 0.56 -0.49 0.02 0.00 -0.04 0.00 0.00 33.50 33.55 1x6f n PRO 85 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x6f s SER 86 N -2.38 5.58 -0.03 3.54 0.01 -1.26 -5.06 113.70 114.11 1x6f s SER 86 Ca 0.21 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 56.92 1x6f s SER 86 Cb -0.02 -0.67 -0.11 0.00 0.21 0.00 0.00 66.02 65.43 1x6f s SER 86 CO 0.16 -0.84 0.77 0.28 0.41 0.00 0.00 173.24 174.03 1x6f h SER 87 N 0.54 -0.48 0.00 2.44 0.02 -2.10 -3.58 113.55 110.40 1x6f h SER 87 Ca -0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1x6f h SER 87 Cb 1.28 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1x6f h SER 87 CO 0.46 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.72