#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 -1.15 -3.00 1.61 7.64 -1.26 -5.01 113.62 112.46 1x6f n SER 2 Ca 0.00 -1.64 -0.17 0.00 1.01 0.00 0.00 58.87 58.08 1x6f n SER 2 Cb 0.00 1.88 0.07 0.00 -1.01 0.00 0.00 64.21 65.14 1x6f n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6f n SER 3 N -1.08 -3.86 -4.40 6.43 7.64 -1.26 -4.99 113.62 112.10 1x6f n SER 3 Ca -0.02 -0.47 -0.37 0.00 1.01 0.00 0.00 58.87 59.02 1x6f n SER 3 Cb 0.37 -4.22 -0.12 0.00 -1.01 0.00 0.00 64.21 59.22 1x6f n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6f s GLY 4 N -3.67 1.78 0.18 0.23 0.00 -1.26 -5.08 107.32 99.51 1x6f s GLY 4 Ca 0.25 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1x6f s GLY 4 CO 0.59 0.60 0.19 -0.45 0.00 0.00 0.00 173.10 174.03 1x6f s SER 5 N 1.56 0.13 0.25 1.64 0.15 -1.26 -5.18 113.70 110.99 1x6f s SER 5 Ca 0.05 -1.19 -0.12 0.00 0.70 0.00 0.00 55.95 55.39 1x6f s SER 5 Cb -0.16 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1x6f s SER 5 CO 0.03 -0.87 0.46 -0.44 1.20 0.00 0.00 173.24 173.62 1x6f s SER 6 N -3.08 -0.03 0.00 5.45 0.01 -1.26 -5.10 113.70 109.69 1x6f s SER 6 Ca 0.29 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1x6f s SER 6 Cb 0.05 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1x6f s SER 6 CO 0.07 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.19 1x6f n GLY 7 N -0.38 -1.04 3.15 3.44 0.00 -1.26 -5.14 105.19 103.95 1x6f n GLY 7 Ca -0.01 0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.38 -0.18 0.99 0.20 -1.26 -5.16 118.68 112.88 1x6f s LEU 8 Ca 0.00 0.20 -0.11 0.00 0.69 0.00 0.00 54.13 54.91 1x6f s LEU 8 Cb 0.00 1.31 0.06 0.00 -0.43 0.00 0.00 46.19 47.13 1x6f s LEU 8 CO 0.00 -0.07 0.45 -0.54 -0.29 0.00 0.00 176.35 175.89 1x6f s LYS 9 N 2.96 0.44 -0.09 1.98 -0.14 -1.26 -5.16 119.74 118.47 1x6f s LYS 9 Ca 0.03 0.82 -0.32 0.00 -1.36 0.00 0.00 55.97 55.13 1x6f s LYS 9 Cb -0.08 0.03 0.12 0.00 -1.68 0.00 0.00 37.83 36.22 1x6f s LYS 9 CO -0.13 -0.15 1.16 -0.98 -0.76 0.00 0.00 175.35 174.50 1x6f s ARG 10 N 1.29 0.48 -0.01 1.68 1.04 -1.26 -5.11 118.95 117.06 1x6f s ARG 10 Ca -0.08 -0.21 -0.04 0.00 -1.04 0.00 0.00 55.73 54.36 1x6f s ARG 10 Cb -0.07 0.20 -0.01 0.00 -2.04 0.00 0.00 34.95 33.02 1x6f s ARG 10 CO -0.12 -0.21 -0.08 -0.25 -0.04 0.00 0.00 175.30 174.60 1x6f n ASP 11 N -0.24 0.79 -3.64 -2.89 9.92 -1.26 -5.15 116.55 114.09 1x6f n ASP 11 Ca -0.04 0.12 0.01 0.00 -0.53 0.00 0.00 54.79 54.35 1x6f n ASP 11 Cb 0.60 -0.37 -0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1x6f n ASP 11 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1x6f s PHE 12 N -1.75 -0.04 -0.10 1.24 -0.71 -1.26 -5.17 117.98 110.18 1x6f s PHE 12 Ca -0.07 -0.09 -0.07 0.00 -1.04 0.00 0.00 56.93 55.66 1x6f s PHE 12 Cb 0.01 0.56 0.04 0.00 -1.21 0.00 0.00 43.02 42.42 1x6f s PHE 12 CO 0.10 -0.35 0.26 0.42 -1.34 0.00 0.00 175.22 174.30 1x6f s ILE 13 N -2.48 -0.02 -0.06 -4.49 -1.09 -1.26 -5.16 121.20 106.64 1x6f s ILE 13 Ca 0.15 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 1x6f s ILE 13 Cb 0.04 -0.38 -0.03 0.00 -1.58 0.00 0.00 42.46 40.50 1x6f s ILE 13 CO -0.03 0.03 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.00 1x6f s ILE 14 N 0.79 3.53 -0.09 2.92 1.01 -1.26 -5.11 121.20 122.98 1x6f s ILE 14 Ca -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1x6f s ILE 14 Cb -0.07 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1x6f s ILE 14 CO -0.05 0.58 0.13 -0.76 0.00 0.00 0.00 174.94 174.83 1x6f s LEU 15 N -0.85 0.04 0.00 2.97 1.02 -1.26 -5.04 118.68 115.56 1x6f s LEU 15 Ca 0.13 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.35 1x6f s LEU 15 Cb -0.11 0.09 0.00 0.00 0.02 0.00 0.00 46.19 46.19 1x6f s LEU 15 CO 0.02 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.73 1x6f n GLY 16 N 5.31 0.80 2.93 -3.19 0.00 -1.26 -5.16 105.19 104.63 1x6f n GLY 16 Ca -0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.13 0.18 1.61 2.20 -1.26 -5.15 114.94 112.64 1x6f s ASN 17 Ca 0.00 0.28 -0.06 0.00 -0.94 0.00 0.00 52.86 52.14 1x6f s ASN 17 Cb 0.00 1.19 0.03 0.00 -2.00 0.00 0.00 41.25 40.46 1x6f s ASN 17 CO 0.00 -0.30 0.35 0.61 -2.94 0.00 0.00 177.10 174.82 1x6f n GLY 18 N 5.37 1.61 3.57 0.45 0.00 -1.26 -5.18 105.19 109.75 1x6f n GLY 18 Ca -0.03 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.06 -1.59 -0.16 1.61 0.04 -1.26 -5.06 135.00 126.52 1x6f s PRO 19 Ca 0.08 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1x6f s PRO 19 Cb -0.02 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 32.98 1x6f s PRO 19 CO 0.06 -3.93 -0.14 1.03 0.04 0.00 0.00 177.00 174.05 1x6f s ARG 20 N -5.51 2.33 0.14 4.56 3.00 -1.26 -4.99 118.95 117.23 1x6f s ARG 20 Ca 0.72 -0.61 0.15 0.00 0.00 0.00 0.00 55.73 56.00 1x6f s ARG 20 Cb -0.08 -2.17 -0.07 0.00 0.00 0.00 0.00 34.95 32.63 1x6f s ARG 20 CO 0.56 -0.25 1.07 1.37 0.00 0.00 0.00 175.30 178.05 1x6f h LEU 21 N 8.04 0.00 -7.00 2.53 8.10 -2.09 -3.47 115.31 121.42 1x6f h LEU 21 Ca -0.38 0.00 0.10 0.00 0.11 0.00 0.00 57.88 57.71 1x6f h LEU 21 Cb 1.13 0.00 -0.27 0.00 -0.44 0.00 0.00 40.66 41.09 1x6f h LEU 21 CO 0.53 0.59 0.36 -1.58 -4.11 0.00 0.00 178.44 174.23 1x6f s GLN 22 N -2.91 0.41 0.02 0.17 2.00 -1.26 -5.09 119.66 112.99 1x6f s GLN 22 Ca -0.00 0.70 -0.03 0.00 -2.00 0.00 0.00 55.36 54.03 1x6f s GLN 22 Cb 0.08 0.08 -0.01 0.00 0.80 0.00 0.00 33.01 33.97 1x6f s GLN 22 CO 0.79 -0.08 -0.05 0.09 -0.50 0.00 0.00 175.29 175.53 1x6f n ASN 23 N 3.71 0.84 -3.69 6.67 3.02 -1.26 -4.98 115.26 119.57 1x6f n ASN 23 Ca -0.19 0.12 -0.30 0.00 -0.03 0.00 0.00 54.58 54.18 1x6f n ASN 23 Cb 0.58 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 1x6f n ASN 23 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x6f n SER 24 N -3.28 -1.13 -4.77 6.41 7.64 -1.26 -4.78 113.62 112.45 1x6f n SER 24 Ca -0.02 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.56 1x6f n SER 24 Cb 0.07 -1.14 0.01 0.00 -1.01 0.00 0.00 64.21 62.14 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 -2.73 2.04 -0.37 0.44 -4.23 -1.25 -4.63 115.64 104.92 1x6f s THR 25 Ca 0.55 0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.87 1x6f s THR 25 Cb -0.32 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1x6f s THR 25 CO 0.73 0.01 0.73 -0.31 -0.54 0.00 0.00 174.62 175.24 1x6f s TYR 26 N -1.16 3.12 -0.28 3.99 1.51 0.17 -4.83 117.35 119.88 1x6f s TYR 26 Ca 0.57 0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 56.86 1x6f s TYR 26 Cb -0.45 -3.33 -0.01 0.00 -0.11 0.00 0.00 41.96 38.06 1x6f s TYR 26 CO 0.60 -0.71 0.73 -1.14 -1.11 0.00 0.00 175.55 173.92 1x6f s GLN 27 N 2.98 4.04 0.72 -0.62 2.00 -1.26 -1.72 119.66 125.79 1x6f s GLN 27 Ca 0.29 0.61 -0.11 0.00 -2.00 0.00 0.00 55.36 54.15 1x6f s GLN 27 Cb -0.14 -3.69 0.02 0.00 0.80 0.00 0.00 33.01 30.01 1x6f s GLN 27 CO 0.16 -0.56 1.07 0.00 -0.50 0.00 0.00 175.29 175.47 1x6f n LYS 29 N -3.24 4.22 -0.06 0.00 0.00 -1.26 -3.28 118.16 114.54 1x6f n LYS 29 Ca 0.08 -0.05 -0.21 0.00 -0.00 0.00 0.00 58.31 58.13 1x6f n LYS 29 Cb 0.54 -0.88 -0.12 0.00 -0.00 0.00 0.00 35.03 34.56 1x6f n LYS 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x6f h HIS 30 N 0.08 0.17 0.00 5.58 3.86 -2.00 -3.41 115.15 119.43 1x6f h HIS 30 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1x6f h HIS 30 Cb 0.19 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1x6f h HIS 30 CO 0.00 1.53 -0.42 0.00 0.86 0.00 0.00 177.93 179.90 1x6f n ASP 32 N -1.22 -4.21 -3.08 0.00 2.03 -1.20 -5.03 116.55 103.84 1x6f n ASP 32 Ca 0.00 -0.35 -0.11 0.00 0.52 0.00 0.00 54.79 54.86 1x6f n ASP 32 Cb 0.06 -3.36 0.06 0.00 -0.72 0.00 0.00 41.12 37.16 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 -1.54 0.51 -3.95 1.67 2.88 -1.26 -4.76 113.62 107.16 1x6f n SER 33 Ca -0.03 -1.46 -0.25 0.00 -1.33 0.00 0.00 58.87 55.80 1x6f n SER 33 Cb 0.55 -0.31 -0.17 0.00 -0.75 0.00 0.00 64.21 63.53 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 -3.70 1.55 0.25 -1.46 1.02 -1.26 -2.51 119.74 113.62 1x6f s LYS 34 Ca 0.30 -0.31 0.10 0.00 0.02 0.00 0.00 55.97 56.08 1x6f s LYS 34 Cb -0.02 -1.46 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 1x6f s LYS 34 CO 0.20 -0.14 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.82 1x6f s LEU 35 N 1.24 2.57 0.04 3.17 1.02 -0.70 -4.92 118.68 121.10 1x6f s LEU 35 Ca -0.04 -1.04 -0.33 0.00 0.02 0.00 0.00 54.13 52.74 1x6f s LEU 35 Cb -0.14 -0.86 -0.18 0.00 0.02 0.00 0.00 46.19 45.02 1x6f s LEU 35 CO -0.03 -0.09 1.38 1.56 0.02 0.00 0.00 176.35 179.19 1x6f h GLN 36 N 2.40 -1.11 -3.66 1.70 7.50 -1.90 0.50 115.11 120.54 1x6f h GLN 36 Ca -0.39 0.08 -0.14 0.00 0.50 0.00 0.00 58.65 58.69 1x6f h GLN 36 Cb 1.24 0.25 -0.06 0.00 0.05 0.00 0.00 27.48 28.96 1x6f h GLN 36 CO 0.62 -0.74 -0.03 -1.12 -1.50 0.00 0.00 178.83 176.06 1x6f s SER 37 N -4.23 0.40 0.37 1.46 0.01 -1.26 -3.93 113.70 106.52 1x6f s SER 37 Ca -0.17 -1.23 0.16 0.00 1.31 0.00 0.00 55.95 56.02 1x6f s SER 37 Cb 0.02 0.70 1.08 0.00 0.21 0.00 0.00 66.02 68.03 1x6f s SER 37 CO 0.53 -1.38 1.71 0.00 0.41 0.00 0.00 173.24 174.51 1x6f h THR 38 N 2.10 0.42 -1.00 1.44 1.03 -1.92 0.32 112.91 115.29 1x6f h THR 38 Ca -0.28 -0.13 0.21 0.00 -0.01 0.00 0.00 66.41 66.19 1x6f h THR 38 Cb 1.25 -0.01 -0.11 0.00 -1.07 0.00 0.00 68.15 68.21 1x6f h THR 38 CO 0.38 0.07 0.61 0.00 -0.01 0.00 0.00 175.52 176.57 1x6f h ALA 39 N 1.71 1.77 0.01 0.00 0.00 -2.00 0.99 119.26 121.73 1x6f h ALA 39 Ca 0.67 0.09 -0.26 0.00 0.00 0.00 0.00 54.91 55.41 1x6f h ALA 39 Cb 1.60 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.37 1x6f h ALA 39 CO -0.44 -0.18 -1.04 0.93 0.00 0.00 0.00 179.25 178.52 1x6f h GLU 40 N 0.67 0.65 -0.89 0.00 4.39 -0.78 -3.27 114.58 115.34 1x6f h GLU 40 Ca 0.60 -0.71 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1x6f h GLU 40 Cb 1.06 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 1x6f h GLU 40 CO -0.40 1.29 0.54 1.25 -1.16 0.00 0.00 179.01 180.53 1x6f h LEU 41 N 0.36 1.07 -1.40 1.33 5.85 -0.72 0.15 115.31 121.94 1x6f h LEU 41 Ca -0.12 -0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.70 1x6f h LEU 41 Cb 1.69 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 1x6f h LEU 41 CO 0.20 0.82 0.57 0.74 -0.34 0.00 0.00 178.44 180.43 1x6f h THR 42 N 1.23 0.77 0.11 1.05 2.02 -0.95 0.33 112.91 117.47 1x6f h THR 42 Ca 0.32 -0.19 -0.31 0.00 0.77 0.00 0.00 66.41 67.00 1x6f h THR 42 Cb -0.05 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1x6f h THR 42 CO -0.06 0.10 -1.63 0.28 0.37 0.00 0.00 175.52 174.58 1x6f h SER 43 N 0.55 0.37 0.58 4.18 0.02 -1.49 -3.33 113.55 114.44 1x6f h SER 43 Ca 0.45 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1x6f h SER 43 Cb 0.90 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1x6f h SER 43 CO -0.19 1.71 -0.31 -0.74 -1.14 0.00 0.00 176.83 176.15 1x6f h HIS 44 N -0.22 -0.82 -0.77 3.45 6.17 -0.19 -2.90 115.15 119.86 1x6f h HIS 44 Ca -0.36 -0.01 0.17 0.00 0.71 0.00 0.00 60.37 60.88 1x6f h HIS 44 Cb 1.83 0.28 -0.14 0.00 2.52 0.00 0.00 27.41 31.91 1x6f h HIS 44 CO 0.10 -0.49 -0.05 -0.07 0.71 0.00 0.00 177.93 178.13 1x6f h LEU 45 N -0.83 -0.46 -0.98 0.26 3.38 -0.56 0.18 115.31 116.30 1x6f h LEU 45 Ca -0.07 0.21 0.37 0.00 0.09 0.00 0.00 57.88 58.48 1x6f h LEU 45 Cb 0.66 0.39 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 1x6f h LEU 45 CO 0.10 -0.21 0.39 0.59 0.09 0.00 0.00 178.44 179.40 1x6f n ASN 46 N -5.40 0.22 -0.15 -0.43 3.02 -1.10 0.75 115.26 112.17 1x6f n ASN 46 Ca 0.13 1.64 -0.03 0.00 -0.03 0.00 0.00 54.58 56.30 1x6f n ASN 46 Cb 0.46 -0.74 0.05 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.60 -0.50 2.41 2.04 -0.70 -1.22 117.51 120.15 1x6f h ILE 47 Ca 0.77 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.68 1x6f h ILE 47 Cb 1.94 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 38.45 1x6f h ILE 47 CO -0.80 0.02 0.11 0.45 0.00 0.00 0.00 178.15 177.92 1x6f h HIS 48 N 0.09 0.17 0.38 1.37 3.86 0.23 -0.34 115.15 120.91 1x6f h HIS 48 Ca 0.24 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1x6f h HIS 48 Cb 0.37 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1x6f h HIS 48 CO -0.33 0.00 -0.21 -0.91 0.86 0.00 0.00 177.93 177.34 1x6f h ASN 49 N 0.25 -0.53 -0.61 2.45 4.21 -1.16 0.15 115.58 120.34 1x6f h ASN 49 Ca 0.25 0.03 0.09 0.00 1.21 0.00 0.00 56.30 57.88 1x6f h ASN 49 Cb 0.33 0.15 -0.11 0.00 -1.12 0.00 0.00 38.32 37.57 1x6f h ASN 49 CO -0.32 -0.34 -0.43 -0.33 -1.29 0.00 0.00 177.43 174.72 1x6f h GLU 50 N -0.54 -0.20 -0.70 0.81 4.39 -1.17 0.11 114.58 117.27 1x6f h GLU 50 Ca -0.05 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1x6f h GLU 50 Cb 0.43 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1x6f h GLU 50 CO 0.06 -0.13 0.35 0.93 -1.16 0.00 0.00 179.01 179.06 1x6f h GLU 51 N -0.20 0.59 -0.86 2.33 4.39 -1.04 -0.67 114.58 119.11 1x6f h GLU 51 Ca 0.19 -0.04 0.21 0.00 0.34 0.00 0.00 59.36 60.07 1x6f h GLU 51 Cb 0.56 -0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 28.95 1x6f h GLU 51 CO -0.71 0.39 0.32 0.35 -1.16 0.00 0.00 179.01 178.19 1x6f h PHE 52 N 0.60 0.51 0.09 4.33 3.57 0.19 0.95 116.94 127.19 1x6f h PHE 52 Ca 0.34 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1x6f h PHE 52 Cb 0.35 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1x6f h PHE 52 CO -0.11 -0.09 -0.04 1.96 -2.23 0.00 0.00 178.31 177.80 1x6f h GLN 53 N 0.33 -0.11 -0.78 1.11 4.20 -0.83 0.63 115.11 119.66 1x6f h GLN 53 Ca 0.53 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.40 1x6f h GLN 53 Cb 0.99 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.65 1x6f h GLN 53 CO -0.55 0.34 -0.23 -0.22 -0.67 0.00 0.00 178.83 177.50 1x6f h LYS 54 N -0.94 -0.02 0.12 1.46 1.63 -0.62 -2.20 116.57 115.99 1x6f h LYS 54 Ca -0.01 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.55 1x6f h LYS 54 Cb 0.51 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1x6f h LYS 54 CO 0.02 -0.02 -1.18 -0.09 -3.45 0.00 0.00 179.45 174.73 1x6f h ARG 55 N -0.02 0.26 -4.45 1.90 9.65 -0.95 -3.48 114.38 117.29 1x6f h ARG 55 Ca 0.36 -0.44 -0.41 0.00 -1.10 0.00 0.00 59.98 58.39 1x6f h ARG 55 Cb 0.58 0.17 0.06 0.00 -1.39 0.00 0.00 29.97 29.38 1x6f h ARG 55 CO -0.81 1.21 -0.61 0.00 2.80 0.00 0.00 179.97 182.56 1x6f n ALA 56 N -2.86 -0.97 -3.64 2.80 0.00 0.22 -4.98 120.51 111.07 1x6f n ALA 56 Ca -0.21 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 1x6f n ALA 56 Cb 0.87 -3.83 -0.16 0.00 0.00 0.00 0.00 19.45 16.32 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 -5.69 3.10 0.37 0.00 2.47 -1.26 -5.05 119.74 113.68 1x6f s LYS 57 Ca 0.30 -0.80 -0.24 0.00 -1.56 0.00 0.00 55.97 53.66 1x6f s LYS 57 Cb -0.13 -2.55 -0.10 0.00 -1.46 0.00 0.00 37.83 33.59 1x6f s LYS 57 CO 0.37 -0.04 0.96 1.03 0.16 0.00 0.00 175.35 177.83 1x6f s ARG 58 N 0.91 4.42 -1.40 4.03 0.52 -1.26 -3.77 118.95 122.39 1x6f s ARG 58 Ca -0.04 1.30 -0.08 0.00 -0.52 0.00 0.00 55.73 56.38 1x6f s ARG 58 Cb -0.15 -2.58 0.04 0.00 0.52 0.00 0.00 34.95 32.78 1x6f s ARG 58 CO -0.03 0.12 1.00 1.04 0.02 0.00 0.00 175.30 177.46 1x6f n GLN 59 N 0.11 -6.35 -3.28 3.54 1.13 -1.26 -4.97 117.38 106.30 1x6f n GLN 59 Ca 0.04 0.71 -0.05 0.00 -1.94 0.00 0.00 57.00 55.75 1x6f n GLN 59 Cb 0.51 -5.61 -0.05 0.00 0.11 0.00 0.00 30.24 25.20 1x6f n GLN 59 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1x6f s GLU 60 N -6.26 0.44 -0.06 -1.09 2.56 -1.25 -5.15 118.70 107.89 1x6f s GLU 60 Ca 0.44 0.48 -0.08 0.00 0.00 0.00 0.00 54.97 55.81 1x6f s GLU 60 Cb -0.21 -0.15 0.02 0.00 2.00 0.00 0.00 34.13 35.79 1x6f s GLU 60 CO 0.78 -0.83 0.21 1.03 -0.56 0.00 0.00 175.26 175.89 1x6f s ARG 61 N 2.63 0.32 -0.23 4.30 0.52 -1.26 -4.84 118.95 120.39 1x6f s ARG 61 Ca 0.13 0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 55.21 1x6f s ARG 61 Cb -0.14 0.15 0.07 0.00 0.52 0.00 0.00 34.95 35.56 1x6f s ARG 61 CO -0.23 -0.06 0.73 -0.98 0.02 0.00 0.00 175.30 174.78 1x6f s ARG 62 N -0.26 0.86 -0.30 3.54 1.04 -1.26 -5.16 118.95 117.41 1x6f s ARG 62 Ca -0.04 0.86 -0.17 0.00 -1.04 0.00 0.00 55.73 55.35 1x6f s ARG 62 Cb -0.03 0.42 0.18 0.00 -2.04 0.00 0.00 34.95 33.48 1x6f s ARG 62 CO 0.01 -0.14 1.14 0.21 -0.04 0.00 0.00 175.30 176.49 1x6f s LYS 63 N 0.11 0.17 -0.29 3.89 2.36 -1.26 -5.15 119.74 119.58 1x6f s LYS 63 Ca -0.02 0.36 0.01 0.00 -2.55 0.00 0.00 55.97 53.77 1x6f s LYS 63 Cb -0.04 0.14 0.18 0.00 -1.05 0.00 0.00 37.83 37.06 1x6f s LYS 63 CO 0.02 -0.05 0.53 -0.65 1.55 0.00 0.00 175.35 176.75 1x6f s GLN 64 N 1.73 0.50 -0.24 4.03 -1.52 -1.26 -5.14 119.66 117.76 1x6f s GLN 64 Ca -0.05 0.69 -0.12 0.00 -1.95 0.00 0.00 55.36 53.94 1x6f s GLN 64 Cb -0.03 0.17 0.08 0.00 -0.22 0.00 0.00 33.01 33.02 1x6f s GLN 64 CO -0.14 -0.78 0.56 -0.51 -0.25 0.00 0.00 175.29 174.17 1x6f s LEU 65 N 2.75 -0.69 -0.35 2.90 1.02 -1.26 -5.12 118.68 117.94 1x6f s LEU 65 Ca 0.15 1.27 -0.43 0.00 0.02 0.00 0.00 54.13 55.14 1x6f s LEU 65 Cb -0.14 1.92 -0.18 0.00 0.02 0.00 0.00 46.19 47.82 1x6f s LEU 65 CO -0.22 -0.22 1.64 0.18 0.02 0.00 0.00 176.35 177.74 1x6f n LEU 66 N 4.65 1.73 -4.72 1.79 4.77 -1.26 -4.89 117.00 119.08 1x6f n LEU 66 Ca -0.18 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.54 1x6f n LEU 66 Cb 0.55 -1.02 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1x6f n LEU 66 CO 0.01 -0.70 0.35 -0.94 -1.33 0.00 0.00 177.39 174.78 1x6f s SER 67 N 3.02 6.92 0.69 -1.43 1.04 -1.26 -5.07 113.70 117.61 1x6f s SER 67 Ca 1.00 1.10 -0.09 0.00 0.48 0.00 0.00 55.95 58.45 1x6f s SER 67 Cb -1.26 -2.39 0.03 0.00 0.10 0.00 0.00 66.02 62.50 1x6f s SER 67 CO 0.72 -0.10 1.03 -1.59 0.98 0.00 0.00 173.24 174.28 1x6f s LYS 68 N 0.81 2.58 0.90 4.02 -2.85 -1.26 -5.08 119.74 118.86 1x6f s LYS 68 Ca 0.35 0.10 -0.14 0.00 -1.00 0.00 0.00 55.97 55.28 1x6f s LYS 68 Cb -0.17 -2.12 0.14 0.00 -2.06 0.00 0.00 37.83 33.62 1x6f s LYS 68 CO 0.16 -1.07 1.23 -0.65 0.10 0.00 0.00 175.35 175.13 1x6f s GLN 69 N -5.26 1.22 -0.21 1.78 -1.52 -1.26 -5.03 119.66 109.38 1x6f s GLN 69 Ca 0.58 -0.10 0.06 0.00 -1.95 0.00 0.00 55.36 53.94 1x6f s GLN 69 Cb -0.11 -1.88 -0.16 0.00 -0.22 0.00 0.00 33.01 30.63 1x6f s GLN 69 CO 0.48 -2.07 -0.13 0.36 -0.25 0.00 0.00 175.29 173.68 1x6f n LYS 70 N -3.60 0.72 -1.21 2.91 -0.00 -1.26 -4.48 118.16 111.25 1x6f n LYS 70 Ca 0.11 0.09 -0.29 0.00 -0.00 0.00 0.00 58.31 58.22 1x6f n LYS 70 Cb 0.60 -1.45 0.08 0.00 -0.00 0.00 0.00 35.03 34.27 1x6f n LYS 70 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1x6f n TYR 71 N -3.01 2.82 0.29 5.58 0.18 -1.26 -4.64 117.16 117.12 1x6f n TYR 71 Ca -0.36 -2.63 -0.17 0.00 1.88 0.00 0.00 57.90 56.62 1x6f n TYR 71 Cb 0.96 -1.27 -0.08 0.00 -0.38 0.00 0.00 39.34 38.56 1x6f n TYR 71 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1x6f h ALA 72 N 1.77 -0.75 0.00 -3.48 0.00 -1.83 -3.40 119.26 111.57 1x6f h ALA 72 Ca 0.54 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 1x6f h ALA 72 Cb 1.09 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1x6f h ALA 72 CO 1.34 -0.93 -1.39 -3.47 0.00 0.00 0.00 179.25 174.81 1x6f n ASP 73 N -5.43 2.70 0.00 0.00 2.03 -1.26 -4.92 116.55 109.67 1x6f n ASP 73 Ca -0.12 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1x6f n ASP 73 Cb 0.32 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 3.02 -0.70 3.61 0.27 0.00 -1.26 -4.30 105.19 105.83 1x6f n GLY 74 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.69 3.02 -0.35 4.61 0.00 -1.26 -4.95 121.76 120.14 1x6f s ALA 75 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1x6f s ALA 75 Cb 0.00 -3.96 0.11 0.00 0.00 0.00 0.00 23.12 19.28 1x6f s ALA 75 CO 0.00 -2.38 0.15 -0.59 0.00 0.00 0.00 175.76 172.93 1x6f s PHE 76 N 6.23 1.75 0.37 0.00 -0.71 -1.26 -4.67 117.98 119.69 1x6f s PHE 76 Ca 0.76 -1.95 0.04 0.00 -1.04 0.00 0.00 56.93 54.74 1x6f s PHE 76 Cb -0.23 -1.73 -0.05 0.00 -1.21 0.00 0.00 43.02 39.80 1x6f s PHE 76 CO 0.33 -0.85 0.07 0.00 -1.34 0.00 0.00 175.22 173.43 1x6f s ALA 77 N 1.19 2.71 0.41 1.99 0.00 -1.26 -5.17 121.76 121.62 1x6f s ALA 77 Ca 0.13 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.41 1x6f s ALA 77 Cb -0.20 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1x6f s ALA 77 CO -0.15 -0.28 0.07 0.16 0.00 0.00 0.00 175.76 175.55 1x6f s ASP 78 N -3.57 3.09 -0.22 0.00 1.47 -1.26 -5.17 116.67 111.02 1x6f s ASP 78 Ca 0.30 -1.55 -0.27 0.00 1.18 0.00 0.00 52.55 52.21 1x6f s ASP 78 Cb 0.07 0.23 0.12 0.00 -0.34 0.00 0.00 42.92 43.00 1x6f s ASP 78 CO 0.14 -0.76 1.00 0.72 0.68 0.00 0.00 175.17 176.95 1x6f s PHE 79 N -3.10 -0.44 0.49 2.11 -0.71 -1.26 -5.17 117.98 109.90 1x6f s PHE 79 Ca 0.25 0.95 -0.18 0.00 -1.04 0.00 0.00 56.93 56.91 1x6f s PHE 79 Cb 0.05 0.40 -0.09 0.00 -1.21 0.00 0.00 43.02 42.17 1x6f s PHE 79 CO 0.13 -0.30 0.97 0.21 -1.34 0.00 0.00 175.22 174.90 1x6f s LYS 80 N -0.39 4.02 0.18 1.99 2.20 -1.26 -5.08 119.74 121.40 1x6f s LYS 80 Ca 0.00 0.99 0.07 0.00 -0.36 0.00 0.00 55.97 56.68 1x6f s LYS 80 Cb -0.03 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1x6f s LYS 80 CO -0.02 -0.21 -0.15 1.14 -0.36 0.00 0.00 175.35 175.75 1x6f s GLN 81 N -3.84 1.25 -0.05 4.03 -2.07 -1.26 -5.16 119.66 112.57 1x6f s GLN 81 Ca 0.60 -1.50 -0.09 0.00 -1.82 0.00 0.00 55.36 52.55 1x6f s GLN 81 Cb -0.10 -1.09 0.02 0.00 -1.09 0.00 0.00 33.01 30.75 1x6f s GLN 81 CO 0.27 0.19 0.21 -1.21 -1.32 0.00 0.00 175.29 173.43 1x6f s GLU 82 N -3.36 0.40 0.02 9.60 2.02 -1.26 -5.07 118.70 121.06 1x6f s GLU 82 Ca 0.19 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1x6f s GLU 82 Cb -0.02 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1x6f s GLU 82 CO 0.06 -0.08 0.00 0.43 0.02 0.00 0.00 175.26 175.69 1x6f n SER 83 N 2.21 0.22 -0.07 -0.19 7.64 -1.26 -5.16 113.62 117.02 1x6f n SER 83 Ca -0.17 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1x6f n SER 83 Cb 0.57 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.99 -0.77 3.58 0.23 0.00 -1.26 -5.07 105.19 104.89 1x6f n GLY 84 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.10 -1.38 0.01 1.61 0.04 -1.26 -5.10 135.00 124.83 1x6f s PRO 85 Ca 0.00 -0.12 -0.16 0.00 0.04 0.00 0.00 61.00 60.77 1x6f s PRO 85 Cb 0.00 -1.58 0.03 0.00 0.04 0.00 0.00 34.50 32.98 1x6f s PRO 85 CO 0.00 -3.81 0.34 0.45 0.04 0.00 0.00 177.00 174.02 1x6f s SER 86 N -3.93 -0.20 0.18 6.66 0.15 -1.26 -5.18 113.70 110.12 1x6f s SER 86 Ca 0.71 0.01 -0.24 0.00 0.70 0.00 0.00 55.95 57.14 1x6f s SER 86 Cb -0.09 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1x6f s SER 86 CO 0.56 -0.54 0.80 -0.94 1.20 0.00 0.00 173.24 174.31 1x6f s SER 87 N -1.66 -0.31 0.00 5.45 1.04 -1.26 -5.36 113.70 111.60 1x6f s SER 87 Ca -0.09 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1x6f s SER 87 Cb -0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1x6f s SER 87 CO 0.01 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.80