#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 -0.23 0.33 1.61 0.01 -1.26 -5.19 113.70 108.97 1x6f s SER 2 Ca 0.00 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1x6f s SER 2 Cb 0.00 0.72 -0.03 0.00 0.21 0.00 0.00 66.02 66.92 1x6f s SER 2 CO 0.00 -1.33 0.23 -0.94 0.41 0.00 0.00 173.24 171.61 1x6f s SER 3 N -2.94 1.73 0.00 2.44 1.04 -1.26 -5.14 113.70 109.58 1x6f s SER 3 Ca 0.11 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.84 1x6f s SER 3 Cb -0.06 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1x6f s SER 3 CO 0.07 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1x6f n GLY 4 N -0.64 2.61 3.49 7.32 0.00 -1.26 -5.15 105.19 111.56 1x6f n GLY 4 Ca 0.04 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 1x6f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6f s SER 5 N 0.00 -0.52 0.17 1.61 1.04 -1.26 -5.19 113.70 109.55 1x6f s SER 5 Ca 0.00 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.35 1x6f s SER 5 Cb 0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1x6f s SER 5 CO 0.00 -1.03 0.03 -0.94 0.98 0.00 0.00 173.24 172.28 1x6f s SER 6 N -2.78 0.90 0.00 7.02 1.04 -1.26 -5.17 113.70 113.46 1x6f s SER 6 Ca 0.03 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1x6f s SER 6 Cb -0.02 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1x6f s SER 6 CO -0.10 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1x6f n GLY 7 N -0.21 0.95 3.35 7.32 0.00 -1.26 -5.16 105.19 110.18 1x6f n GLY 7 Ca -0.06 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.42 0.44 0.99 1.98 -1.26 -5.15 118.68 115.26 1x6f s LEU 8 Ca 0.00 0.58 -0.24 0.00 -2.89 0.00 0.00 54.13 51.58 1x6f s LEU 8 Cb 0.00 1.48 -0.09 0.00 0.66 0.00 0.00 46.19 48.24 1x6f s LEU 8 CO 0.00 -0.08 1.20 2.29 -1.89 0.00 0.00 176.35 177.87 1x6f n LYS 9 N 4.78 1.72 -4.63 1.98 -0.00 -1.26 -5.02 118.16 115.74 1x6f n LYS 9 Ca -0.09 0.62 -0.29 0.00 -0.00 0.00 0.00 58.31 58.55 1x6f n LYS 9 Cb 0.54 -2.31 -0.08 0.00 -0.00 0.00 0.00 35.03 33.17 1x6f n LYS 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1x6f s ARG 10 N -2.26 2.05 0.18 -1.58 3.00 -1.26 -5.17 118.95 113.91 1x6f s ARG 10 Ca 0.63 -2.27 -0.16 0.00 0.00 0.00 0.00 55.73 53.93 1x6f s ARG 10 Cb -0.50 -1.06 0.02 0.00 0.00 0.00 0.00 34.95 33.41 1x6f s ARG 10 CO 0.56 -0.41 0.48 -0.51 0.00 0.00 0.00 175.30 175.42 1x6f s ASP 11 N -3.73 -0.22 0.46 0.23 1.11 -1.26 -5.18 116.67 108.08 1x6f s ASP 11 Ca 0.16 -0.52 0.08 0.00 0.18 0.00 0.00 52.55 52.45 1x6f s ASP 11 Cb 0.02 0.55 0.01 0.00 1.07 0.00 0.00 42.92 44.57 1x6f s ASP 11 CO 0.09 -1.01 0.46 0.72 1.18 0.00 0.00 175.17 176.61 1x6f s PHE 12 N -3.88 2.38 0.03 4.23 -0.71 -1.26 -5.15 117.98 113.63 1x6f s PHE 12 Ca 0.10 -0.57 -0.07 0.00 -1.04 0.00 0.00 56.93 55.35 1x6f s PHE 12 Cb -0.00 -2.16 -0.00 0.00 -1.21 0.00 0.00 43.02 39.65 1x6f s PHE 12 CO -0.03 -0.34 0.14 0.96 -1.34 0.00 0.00 175.22 174.60 1x6f s ILE 13 N -2.53 0.12 0.03 -4.49 -0.00 -1.26 -5.17 121.20 107.90 1x6f s ILE 13 Ca 0.48 -0.96 0.09 0.00 -0.00 0.00 0.00 60.65 60.26 1x6f s ILE 13 Cb -0.04 -0.82 -0.03 0.00 -0.00 0.00 0.00 42.46 41.57 1x6f s ILE 13 CO 0.29 -0.53 -0.25 -0.63 -0.00 0.00 0.00 174.94 173.81 1x6f s ILE 14 N -2.39 2.05 -0.31 8.37 1.09 -1.26 -5.03 121.20 123.72 1x6f s ILE 14 Ca -0.07 -1.29 0.08 0.00 -1.10 0.00 0.00 60.65 58.27 1x6f s ILE 14 Cb -0.02 -1.74 0.52 0.00 -1.06 0.00 0.00 42.46 40.16 1x6f s ILE 14 CO -0.03 0.40 1.51 0.00 -0.10 0.00 0.00 174.94 176.72 1x6f n LEU 15 N 1.95 4.42 -3.55 2.97 -0.00 -1.26 -5.05 117.00 116.48 1x6f n LEU 15 Ca -0.17 -3.79 -0.47 0.00 -0.00 0.00 0.00 56.01 51.59 1x6f n LEU 15 Cb 0.52 -0.66 -0.06 0.00 -0.00 0.00 0.00 43.42 43.22 1x6f n LEU 15 CO 0.23 1.26 0.45 0.61 -0.00 0.00 0.00 177.39 179.95 1x6f n GLY 16 N -1.13 -0.22 0.07 1.47 0.00 -1.26 -4.90 105.19 99.23 1x6f n GLY 16 Ca 0.36 0.60 -0.07 0.00 0.00 0.00 0.00 46.02 46.91 1x6f n GLY 16 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1x6f h ASN 17 N 2.37 0.00 -3.68 1.61 -0.73 -2.08 -3.51 115.58 109.57 1x6f h ASN 17 Ca -0.40 -0.11 0.27 0.00 1.87 0.00 0.00 56.30 57.93 1x6f h ASN 17 Cb 1.13 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.58 1x6f h ASN 17 CO 0.51 0.84 -0.88 0.61 -0.37 0.00 0.00 177.43 178.14 1x6f n GLY 18 N 1.61 -2.97 3.75 1.57 0.00 -1.26 -4.83 105.19 103.07 1x6f n GLY 18 Ca -0.10 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.65 4.43 -0.11 1.61 0.04 -1.26 -4.98 135.00 131.07 1x6f s PRO 19 Ca 0.00 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1x6f s PRO 19 Cb 0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1x6f s PRO 19 CO 0.00 -0.15 -0.07 0.00 0.04 0.00 0.00 177.00 176.82 1x6f h ARG 20 N 4.56 0.00 -4.62 4.56 3.08 -2.05 -3.44 114.38 116.47 1x6f h ARG 20 Ca -0.46 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.89 1x6f h ARG 20 Cb 1.22 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.04 1x6f h ARG 20 CO 0.72 0.00 -0.50 -0.51 -1.07 0.00 0.00 179.97 178.61 1x6f s LEU 21 N -8.31 4.67 -0.03 3.04 1.43 -1.26 -4.89 118.68 113.33 1x6f s LEU 21 Ca -0.05 -0.84 0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1x6f s LEU 21 Cb 0.01 -2.06 -0.18 0.00 0.03 0.00 0.00 46.19 43.99 1x6f s LEU 21 CO 0.08 -0.35 0.22 0.00 0.23 0.00 0.00 176.35 176.53 1x6f n GLN 22 N 5.04 0.71 -0.72 1.70 10.64 -1.26 -4.45 117.38 129.04 1x6f n GLN 22 Ca -0.12 -0.09 0.02 0.00 -1.83 0.00 0.00 57.00 54.97 1x6f n GLN 22 Cb 0.47 -1.29 0.28 0.00 -0.86 0.00 0.00 30.24 28.84 1x6f n GLN 22 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x6f n ASN 23 N -2.01 4.40 -3.88 2.61 4.13 -1.26 -4.90 115.26 114.35 1x6f n ASN 23 Ca -0.05 -2.78 -0.33 0.00 1.68 0.00 0.00 54.58 53.09 1x6f n ASN 23 Cb 0.42 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 37.94 1x6f n ASN 23 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1x6f n SER 24 N 0.28 -1.43 -4.77 6.41 3.41 -1.26 -4.80 113.62 111.46 1x6f n SER 24 Ca 0.25 -0.97 -0.40 0.00 -0.26 0.00 0.00 58.87 57.49 1x6f n SER 24 Cb 1.03 -1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1x6f n SER 24 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x6f s THR 25 N -2.75 2.41 0.48 6.66 2.01 -1.26 -4.81 115.64 118.37 1x6f s THR 25 Ca 0.65 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.91 1x6f s THR 25 Cb -0.38 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1x6f s THR 25 CO 0.80 0.06 0.88 -0.31 -0.69 0.00 0.00 174.62 175.36 1x6f s TYR 26 N -1.21 3.51 -0.30 4.92 1.51 0.86 -4.87 117.35 121.76 1x6f s TYR 26 Ca 0.56 1.18 0.02 0.00 -1.01 0.00 0.00 57.07 57.82 1x6f s TYR 26 Cb -0.41 -2.57 0.09 0.00 -0.11 0.00 0.00 41.96 38.96 1x6f s TYR 26 CO 0.53 -0.31 0.02 -1.14 -1.11 0.00 0.00 175.55 173.55 1x6f s GLN 27 N -4.26 1.44 0.04 -0.62 2.00 -1.26 -1.95 119.66 115.05 1x6f s GLN 27 Ca 0.54 -1.49 -0.32 0.00 -2.00 0.00 0.00 55.36 52.09 1x6f s GLN 27 Cb -0.10 -2.81 -0.11 0.00 0.80 0.00 0.00 33.01 30.79 1x6f s GLN 27 CO 0.37 -0.84 1.85 0.00 -0.50 0.00 0.00 175.29 176.17 1x6f n LYS 29 N 6.08 1.75 0.00 0.00 -0.00 -1.26 -1.62 118.16 123.10 1x6f n LYS 29 Ca 0.20 -1.68 0.00 0.00 -0.00 0.00 0.00 58.31 56.82 1x6f n LYS 29 Cb 0.35 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.72 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 -0.25 0.00 -0.00 5.58 8.25 -1.26 -4.88 115.22 122.66 1x6f n HIS 30 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1x6f n HIS 30 Cb 1.00 0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.11 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 -0.73 -2.50 -3.37 0.00 2.03 -0.64 -5.06 116.55 106.29 1x6f n ASP 32 Ca 0.00 -0.16 -0.10 0.00 0.52 0.00 0.00 54.79 55.04 1x6f n ASP 32 Cb 0.00 -1.78 0.02 0.00 -0.72 0.00 0.00 41.12 38.64 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 -0.86 1.27 -3.93 1.67 2.88 -1.24 -4.87 113.62 108.54 1x6f n SER 33 Ca -0.05 -1.78 -0.21 0.00 -1.33 0.00 0.00 58.87 55.50 1x6f n SER 33 Cb 0.54 -0.14 -0.16 0.00 -0.75 0.00 0.00 64.21 63.69 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 -3.18 1.10 0.24 -1.46 1.02 -1.26 -2.00 119.74 114.19 1x6f s LYS 34 Ca 0.24 -0.20 0.08 0.00 0.02 0.00 0.00 55.97 56.11 1x6f s LYS 34 Cb -0.02 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 1x6f s LYS 34 CO 0.15 -0.05 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.91 1x6f s LEU 35 N 0.85 2.53 0.07 3.17 1.02 -0.82 -4.93 118.68 120.57 1x6f s LEU 35 Ca -0.12 -1.09 -0.20 0.00 0.02 0.00 0.00 54.13 52.74 1x6f s LEU 35 Cb -0.15 -0.68 -0.11 0.00 0.02 0.00 0.00 46.19 45.27 1x6f s LEU 35 CO 0.01 -0.22 1.53 1.56 0.02 0.00 0.00 176.35 179.24 1x6f h GLN 36 N 2.43 0.29 0.00 1.70 1.08 -1.93 0.25 115.11 118.93 1x6f h GLN 36 Ca -0.39 -0.08 0.22 0.00 -1.45 0.00 0.00 58.65 56.95 1x6f h GLN 36 Cb 1.23 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.59 1x6f h GLN 36 CO 0.64 0.47 0.62 0.43 -0.95 0.00 0.00 178.83 180.04 1x6f n SER 37 N -4.76 -1.11 -0.31 1.46 7.64 -1.26 -4.34 113.62 110.94 1x6f n SER 37 Ca -0.05 -1.40 -0.10 0.00 1.01 0.00 0.00 58.87 58.34 1x6f n SER 37 Cb 0.19 1.76 -0.08 0.00 -1.01 0.00 0.00 64.21 65.07 1x6f n SER 37 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1x6f h THR 38 N 1.78 0.00 -0.76 0.44 1.35 -1.97 0.44 112.91 114.19 1x6f h THR 38 Ca -0.19 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 65.95 1x6f h THR 38 Cb 0.93 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.27 1x6f h THR 38 CO 0.26 0.00 0.48 0.00 -0.25 0.00 0.00 175.52 176.01 1x6f n ALA 39 N -3.18 0.76 0.01 6.62 0.00 -1.26 0.25 120.51 123.71 1x6f n ALA 39 Ca 0.01 0.53 -0.22 0.00 0.00 0.00 0.00 53.44 53.76 1x6f n ALA 39 Cb 0.23 -0.62 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 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 0.26 0.10 0.00 4.39 -0.57 -3.35 114.58 115.41 1x6f h GLU 40 Ca 0.51 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1x6f h GLU 40 Cb 1.60 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1x6f h GLU 40 CO -0.31 1.21 -0.05 1.25 -1.16 0.00 0.00 179.01 179.95 1x6f h LEU 41 N -0.24 -0.12 -1.19 1.33 5.85 0.43 0.20 115.31 121.58 1x6f h LEU 41 Ca -0.32 -0.02 0.31 0.00 0.84 0.00 0.00 57.88 58.70 1x6f h LEU 41 Cb 1.82 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.75 1x6f h LEU 41 CO 0.07 -0.06 0.66 0.74 -0.34 0.00 0.00 178.44 179.50 1x6f h THR 42 N -0.16 0.37 0.00 1.05 2.02 -0.51 0.29 112.91 115.97 1x6f h THR 42 Ca -0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1x6f h THR 42 Cb 0.13 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1x6f h THR 42 CO 0.02 0.06 -0.28 -1.28 0.37 0.00 0.00 175.52 174.42 1x6f h SER 43 N 0.34 0.00 -1.03 4.18 0.87 -1.58 -3.27 113.55 113.07 1x6f h SER 43 Ca 0.69 -0.60 0.26 0.00 -1.23 0.00 0.00 61.79 60.91 1x6f h SER 43 Cb 1.72 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.59 1x6f h SER 43 CO -0.46 0.96 0.66 -0.74 -0.53 0.00 0.00 176.83 176.73 1x6f h HIS 44 N -1.00 0.64 -0.42 2.24 6.17 0.26 0.12 115.15 123.17 1x6f h HIS 44 Ca -0.07 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.00 1x6f h HIS 44 Cb 0.80 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.52 1x6f h HIS 44 CO 0.14 0.08 0.13 -0.07 0.71 0.00 0.00 177.93 178.92 1x6f h LEU 45 N 0.40 0.61 -1.27 0.26 3.38 -0.58 -2.74 115.31 115.36 1x6f h LEU 45 Ca 0.58 -0.21 0.32 0.00 0.09 0.00 0.00 57.88 58.67 1x6f h LEU 45 Cb 1.46 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 1x6f h LEU 45 CO -0.28 0.65 0.69 0.78 0.09 0.00 0.00 178.44 180.38 1x6f h ASN 46 N 0.53 0.42 -0.62 -0.43 -0.26 -0.81 0.73 115.58 115.15 1x6f h ASN 46 Ca 0.13 0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1x6f h ASN 46 Cb 0.26 0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 1x6f h ASN 46 CO -0.00 -0.03 0.38 0.40 -1.06 0.00 0.00 177.43 177.11 1x6f h ILE 47 N 0.31 1.18 0.08 2.81 2.04 -1.46 -0.50 117.51 121.96 1x6f h ILE 47 Ca 0.69 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 1x6f h ILE 47 Cb 1.81 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1x6f h ILE 47 CO -0.41 0.19 -0.04 0.45 0.00 0.00 0.00 178.15 178.34 1x6f h HIS 48 N 0.86 -0.10 0.05 1.37 3.86 0.37 -3.01 115.15 118.55 1x6f h HIS 48 Ca 0.23 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1x6f h HIS 48 Cb -0.03 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1x6f h HIS 48 CO 0.00 0.41 -0.20 -0.91 0.86 0.00 0.00 177.93 178.09 1x6f h ASN 49 N -0.68 -0.57 -0.97 2.45 2.35 -1.24 -1.14 115.58 115.77 1x6f h ASN 49 Ca -0.01 0.07 0.25 0.00 -0.55 0.00 0.00 56.30 56.07 1x6f h ASN 49 Cb 0.55 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.09 1x6f h ASN 49 CO 0.02 -0.27 0.66 1.05 -1.65 0.00 0.00 177.43 177.24 1x6f h GLU 50 N -0.35 0.24 -0.00 0.81 4.11 -1.19 -0.40 114.58 117.80 1x6f h GLU 50 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1x6f h GLU 50 Cb 0.40 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1x6f h GLU 50 CO -0.15 0.16 -0.00 0.93 0.07 0.00 0.00 179.01 180.01 1x6f h GLU 51 N 0.25 0.01 -0.73 1.06 5.08 -1.11 -1.92 114.58 117.22 1x6f h GLU 51 Ca 0.51 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.94 1x6f h GLU 51 Cb 1.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.73 1x6f h GLU 51 CO -0.15 0.59 0.40 0.35 -1.00 0.00 0.00 179.01 179.21 1x6f h PHE 52 N -0.58 0.73 0.24 4.33 3.04 -0.13 0.50 116.94 125.07 1x6f h PHE 52 Ca -0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1x6f h PHE 52 Cb 0.59 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1x6f h PHE 52 CO 0.13 0.31 -0.11 0.37 -2.02 0.00 0.00 178.31 176.99 1x6f h GLN 53 N 0.70 -0.30 0.70 1.11 4.15 -1.22 -2.89 115.11 117.35 1x6f h GLN 53 Ca 0.34 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 1x6f h GLN 53 Cb 0.28 0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.04 1x6f h GLN 53 CO -0.22 -0.02 -0.33 0.87 -1.93 0.00 0.00 178.83 177.19 1x6f h LYS 54 N -0.58 -0.90 -1.66 1.69 1.79 -1.03 -2.72 116.57 113.16 1x6f h LYS 54 Ca -0.03 0.06 0.51 0.00 -2.18 0.00 0.00 60.65 59.01 1x6f h LYS 54 Cb 0.42 0.21 -0.10 0.00 -1.58 0.00 0.00 32.23 31.18 1x6f h LYS 54 CO 0.05 -0.60 1.16 -2.13 -1.08 0.00 0.00 179.45 176.85 1x6f n ARG 55 N -4.68 -0.01 -0.92 3.15 0.63 0.17 0.23 116.66 115.23 1x6f n ARG 55 Ca -0.12 1.08 -0.12 0.00 -0.92 0.00 0.00 57.85 57.78 1x6f n ARG 55 Cb 0.37 -2.35 -0.05 0.00 0.45 0.00 0.00 32.46 30.87 1x6f n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x6f n ALA 56 N -2.74 5.40 -0.03 5.13 0.00 -1.02 -4.13 120.51 123.12 1x6f n ALA 56 Ca 0.41 -1.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.32 1x6f n ALA 56 Cb 1.75 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1x6f n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x6f n LYS 57 N 1.41 0.29 -4.10 0.00 0.00 0.14 -5.02 118.16 110.88 1x6f n LYS 57 Ca 0.28 0.12 -0.24 0.00 0.00 0.00 0.00 58.31 58.47 1x6f n LYS 57 Cb 0.65 -1.02 -0.05 0.00 0.00 0.00 0.00 35.03 34.61 1x6f n LYS 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1x6f s ARG 58 N -2.50 2.88 -0.12 1.64 3.52 -1.26 -5.04 118.95 118.08 1x6f s ARG 58 Ca -0.16 -0.96 -0.37 0.00 -0.13 0.00 0.00 55.73 54.11 1x6f s ARG 58 Cb 0.02 -2.59 -0.14 0.00 -1.56 0.00 0.00 34.95 30.68 1x6f s ARG 58 CO 0.24 0.45 1.72 0.94 -0.81 0.00 0.00 175.30 177.84 1x6f n GLN 59 N -0.69 1.63 -4.10 5.12 7.27 -1.26 -4.96 117.38 120.39 1x6f n GLN 59 Ca -0.08 0.60 -0.27 0.00 0.07 0.00 0.00 57.00 57.32 1x6f n GLN 59 Cb 0.56 -2.34 -0.06 0.00 2.41 0.00 0.00 30.24 30.81 1x6f n GLN 59 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1x6f s GLU 60 N 3.05 2.83 1.00 3.69 2.12 -1.26 -5.12 118.70 125.01 1x6f s GLU 60 Ca 0.92 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 55.24 1x6f s GLU 60 Cb -0.88 -2.61 0.19 0.00 0.26 0.00 0.00 34.13 31.09 1x6f s GLU 60 CO 0.55 0.49 1.10 1.03 -0.54 0.00 0.00 175.26 177.89 1x6f s ARG 61 N -3.02 0.43 0.59 4.30 1.81 -1.26 -5.05 118.95 116.76 1x6f s ARG 61 Ca 0.30 0.43 -0.10 0.00 -1.72 0.00 0.00 55.73 54.64 1x6f s ARG 61 Cb -0.10 -1.74 0.15 0.00 -0.45 0.00 0.00 34.95 32.80 1x6f s ARG 61 CO 0.23 -2.71 0.54 2.89 -0.68 0.00 0.00 175.30 175.57 1x6f n ARG 62 N -4.15 -1.98 -0.28 3.54 -4.01 -1.26 -5.01 116.66 103.51 1x6f n ARG 62 Ca 0.05 -0.86 -0.10 0.00 -1.04 0.00 0.00 57.85 55.90 1x6f n ARG 62 Cb 0.58 -0.79 0.10 0.00 -3.04 0.00 0.00 32.46 29.30 1x6f n ARG 62 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1x6f n LYS 63 N -3.10 -1.12 -4.38 2.89 4.76 -1.26 -5.02 118.16 110.94 1x6f n LYS 63 Ca 0.07 -0.48 -0.25 0.00 -2.87 0.00 0.00 58.31 54.79 1x6f n LYS 63 Cb 0.29 -0.90 -0.10 0.00 -1.84 0.00 0.00 35.03 32.48 1x6f n LYS 63 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x6f s GLN 64 N -2.85 1.88 0.62 1.97 -0.21 -1.26 -5.13 119.66 114.67 1x6f s GLN 64 Ca 0.22 -1.52 -0.12 0.00 0.02 0.00 0.00 55.36 53.95 1x6f s GLN 64 Cb -0.04 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1x6f s GLN 64 CO 0.18 0.38 1.03 -0.51 -2.12 0.00 0.00 175.29 174.25 1x6f s LEU 65 N -3.23 3.30 0.39 2.90 1.43 -1.26 -5.08 118.68 117.13 1x6f s LEU 65 Ca 0.27 1.54 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 1x6f s LEU 65 Cb -0.07 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 1x6f s LEU 65 CO 0.15 -1.00 0.13 -0.76 0.23 0.00 0.00 176.35 175.10 1x6f s LEU 66 N -5.00 3.09 0.06 1.79 2.01 -1.26 -5.15 118.68 114.22 1x6f s LEU 66 Ca 0.57 -1.04 -0.11 0.00 0.01 0.00 0.00 54.13 53.56 1x6f s LEU 66 Cb -0.12 -1.42 0.01 0.00 0.01 0.00 0.00 46.19 44.67 1x6f s LEU 66 CO 0.48 -0.44 0.24 -0.55 1.01 0.00 0.00 176.35 177.10 1x6f s SER 67 N -3.84 -0.01 0.55 2.29 0.15 -1.26 -5.18 113.70 106.39 1x6f s SER 67 Ca 0.39 -0.39 0.08 0.00 0.70 0.00 0.00 55.95 56.72 1x6f s SER 67 Cb 0.03 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1x6f s SER 67 CO 0.22 -0.65 0.58 -1.59 1.20 0.00 0.00 173.24 173.00 1x6f s LYS 68 N -3.06 2.31 0.03 5.44 -2.85 -1.26 -5.15 119.74 115.20 1x6f s LYS 68 Ca -0.01 -1.79 -0.09 0.00 -1.00 0.00 0.00 55.97 53.08 1x6f s LYS 68 Cb 0.01 -2.39 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 1x6f s LYS 68 CO -0.07 -0.69 0.17 -1.14 0.10 0.00 0.00 175.35 173.73 1x6f s GLN 69 N -4.45 0.62 -0.19 1.78 0.74 -1.26 -5.17 119.66 111.73 1x6f s GLN 69 Ca 0.48 -0.56 -0.28 0.00 0.05 0.00 0.00 55.36 55.06 1x6f s GLN 69 Cb -0.04 0.26 0.09 0.00 1.10 0.00 0.00 33.01 34.42 1x6f s GLN 69 CO 0.30 -0.17 0.85 0.21 -0.55 0.00 0.00 175.29 175.93 1x6f s LYS 70 N -2.19 0.76 0.30 1.67 2.36 -1.26 -5.19 119.74 116.20 1x6f s LYS 70 Ca -0.08 0.54 -0.05 0.00 -2.55 0.00 0.00 55.97 53.82 1x6f s LYS 70 Cb -0.03 0.36 -0.00 0.00 -1.05 0.00 0.00 37.83 37.11 1x6f s LYS 70 CO -0.02 -0.17 0.44 1.52 1.55 0.00 0.00 175.35 178.67 1x6f s TYR 71 N -0.36 0.87 0.29 4.03 1.13 -1.26 -5.19 117.35 116.87 1x6f s TYR 71 Ca -0.02 -1.14 0.04 0.00 -1.41 0.00 0.00 57.07 54.53 1x6f s TYR 71 Cb -0.03 -0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1x6f s TYR 71 CO 0.02 -1.04 0.26 0.00 -2.51 0.00 0.00 175.55 172.28 1x6f s ALA 72 N -3.46 1.51 0.02 9.51 0.00 -1.26 -5.11 121.76 122.97 1x6f s ALA 72 Ca 0.29 -1.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 1x6f s ALA 72 Cb 0.00 1.41 -0.00 0.00 0.00 0.00 0.00 23.12 24.54 1x6f s ALA 72 CO 0.16 -0.66 -0.02 -3.47 0.00 0.00 0.00 175.76 171.77 1x6f n ASP 73 N -1.14 0.39 0.00 0.00 2.03 -1.26 -5.16 116.55 111.41 1x6f n ASP 73 Ca 0.05 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1x6f n ASP 73 Cb 0.63 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 3.13 0.69 3.78 0.27 0.00 -1.26 -5.14 105.19 106.66 1x6f n GLY 74 Ca -0.01 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.46 -2.17 0.26 4.61 0.00 -1.26 -5.19 121.76 116.55 1x6f s ALA 75 Ca 0.00 0.30 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 1x6f s ALA 75 Cb 0.00 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.77 1x6f s ALA 75 CO 0.00 -1.09 0.82 -0.06 0.00 0.00 0.00 175.76 175.44 1x6f s PHE 76 N -2.34 -0.09 0.11 0.00 0.08 -1.26 -5.19 117.98 109.29 1x6f s PHE 76 Ca 0.20 -0.37 -0.26 0.00 0.12 0.00 0.00 56.93 56.61 1x6f s PHE 76 Cb 0.02 0.72 0.08 0.00 -0.57 0.00 0.00 43.02 43.27 1x6f s PHE 76 CO -0.01 -1.18 1.08 0.00 -0.10 0.00 0.00 175.22 175.02 1x6f s ALA 77 N -3.28 -1.84 0.25 5.36 0.00 -1.26 -5.19 121.76 115.80 1x6f s ALA 77 Ca 0.13 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1x6f s ALA 77 Cb -0.04 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1x6f s ALA 77 CO 0.07 -1.06 0.58 0.34 0.00 0.00 0.00 175.76 175.69 1x6f s ASP 78 N -3.09 -0.18 0.27 0.00 2.15 -1.26 -5.19 116.67 109.37 1x6f s ASP 78 Ca 0.15 -0.74 0.01 0.00 0.43 0.00 0.00 52.55 52.40 1x6f s ASP 78 Cb 0.00 0.64 -0.03 0.00 -0.30 0.00 0.00 42.92 43.24 1x6f s ASP 78 CO 0.01 -1.21 0.27 -0.36 -0.17 0.00 0.00 175.17 173.71 1x6f s PHE 79 N -3.96 1.28 0.03 -5.34 0.40 -1.26 -5.18 117.98 103.96 1x6f s PHE 79 Ca 0.16 -1.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.08 1x6f s PHE 79 Cb -0.03 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 1x6f s PHE 79 CO 0.07 -0.83 -0.03 0.21 0.70 0.00 0.00 175.22 175.34 1x6f s LYS 80 N -3.73 0.43 0.02 0.44 2.20 -1.26 -5.17 119.74 112.67 1x6f s LYS 80 Ca 0.37 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1x6f s LYS 80 Cb 0.04 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1x6f s LYS 80 CO 0.19 -0.07 0.03 -1.14 -0.36 0.00 0.00 175.35 173.99 1x6f s GLN 81 N -2.37 0.43 0.37 4.03 2.00 -1.26 -5.17 119.66 117.70 1x6f s GLN 81 Ca -0.07 -0.67 0.04 0.00 -2.00 0.00 0.00 55.36 52.65 1x6f s GLN 81 Cb -0.03 0.16 -0.05 0.00 0.80 0.00 0.00 33.01 33.89 1x6f s GLN 81 CO -0.04 -0.09 0.07 -1.83 -0.50 0.00 0.00 175.29 172.89 1x6f s GLU 82 N -1.96 1.80 -0.23 1.67 -1.05 -1.26 -5.17 118.70 112.51 1x6f s GLU 82 Ca -0.11 -2.04 -0.29 0.00 -0.15 0.00 0.00 54.97 52.38 1x6f s GLU 82 Cb -0.06 -0.94 0.16 0.00 -0.44 0.00 0.00 34.13 32.85 1x6f s GLU 82 CO -0.02 -0.26 1.17 0.45 0.95 0.00 0.00 175.26 177.54 1x6f s SER 83 N -3.57 -0.23 -0.48 0.83 0.15 -1.26 -5.11 113.70 104.03 1x6f s SER 83 Ca 0.30 0.27 0.06 0.00 0.70 0.00 0.00 55.95 57.29 1x6f s SER 83 Cb 0.07 0.22 0.25 0.00 -1.71 0.00 0.00 66.02 64.84 1x6f s SER 83 CO 0.14 -0.19 0.89 0.61 1.20 0.00 0.00 173.24 175.89 1x6f n GLY 84 N 0.80 0.21 3.63 9.45 0.00 -1.26 -5.16 105.19 112.86 1x6f n GLY 84 Ca -0.06 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.57 -0.50 -0.03 1.61 0.04 -1.26 -5.08 135.00 130.35 1x6f s PRO 85 Ca 0.32 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.56 1x6f s PRO 85 Cb 0.23 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 33.13 1x6f s PRO 85 CO -0.23 -3.28 -0.03 0.45 0.04 0.00 0.00 177.00 173.94 1x6f s SER 86 N -3.69 0.72 -0.08 6.66 0.15 -1.26 -5.07 113.70 111.13 1x6f s SER 86 Ca 0.68 -0.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.18 1x6f s SER 86 Cb -0.14 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1x6f s SER 86 CO 0.57 -0.05 -0.12 -1.20 1.20 0.00 0.00 173.24 173.64 1x6f n SER 87 N 3.88 1.04 0.00 5.45 7.64 -1.26 -5.38 113.62 124.99 1x6f n SER 87 Ca -0.24 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1x6f n SER 87 Cb 0.52 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1x6f n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64