#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 -1.02 -4.62 1.61 3.41 -1.26 -4.87 113.62 106.87 1x6f n SER 2 Ca 0.00 -0.94 -0.30 0.00 -0.26 0.00 0.00 58.87 57.36 1x6f n SER 2 Cb 0.00 -1.20 -0.09 0.00 -0.26 0.00 0.00 64.21 62.66 1x6f n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x6f s SER 3 N -2.92 3.79 0.04 4.04 1.04 -1.26 -5.16 113.70 113.27 1x6f s SER 3 Ca 0.53 -1.59 -0.26 0.00 0.48 0.00 0.00 55.95 55.10 1x6f s SER 3 Cb -0.31 0.31 0.09 0.00 0.10 0.00 0.00 66.02 66.21 1x6f s SER 3 CO 0.77 -0.77 1.21 0.61 0.98 0.00 0.00 173.24 176.04 1x6f n GLY 4 N -1.12 0.32 3.66 7.32 0.00 -1.26 -5.19 105.19 108.92 1x6f n GLY 4 Ca -0.14 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.73 -0.13 0.14 1.61 1.04 -1.26 -5.18 113.70 106.19 1x6f s SER 5 Ca 0.28 -0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.56 1x6f s SER 5 Cb -0.01 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1x6f s SER 5 CO 0.01 -0.54 -0.14 -0.55 0.98 0.00 0.00 173.24 173.00 1x6f s SER 6 N -2.85 2.17 0.31 7.02 0.15 -1.26 -5.16 113.70 114.08 1x6f s SER 6 Ca 0.12 -0.88 0.10 0.00 0.70 0.00 0.00 55.95 55.99 1x6f s SER 6 Cb 0.02 -0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 1x6f s SER 6 CO -0.02 -0.15 -0.02 -0.83 1.20 0.00 0.00 173.24 173.41 1x6f s GLY 7 N -2.71 1.95 0.45 9.45 0.00 -1.26 -5.15 107.32 110.05 1x6f s GLY 7 Ca 0.13 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 43.00 1x6f s GLY 7 CO 0.04 -1.87 0.05 1.08 0.00 0.00 0.00 173.10 172.40 1x6f s LEU 8 N -3.68 2.25 0.28 0.66 1.43 -1.26 -5.17 118.68 113.19 1x6f s LEU 8 Ca 0.33 -1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 51.74 1x6f s LEU 8 Cb -0.02 -0.52 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 1x6f s LEU 8 CO 0.19 -0.81 0.46 -1.59 0.23 0.00 0.00 176.35 174.82 1x6f s LYS 9 N -3.80 1.65 0.01 1.70 0.00 -1.26 -5.18 119.74 112.86 1x6f s LYS 9 Ca 0.17 -1.45 -0.05 0.00 0.00 0.00 0.00 55.97 54.65 1x6f s LYS 9 Cb 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 37.83 38.31 1x6f s LYS 9 CO 0.09 -0.68 0.08 1.03 0.00 0.00 0.00 175.35 175.87 1x6f s ARG 10 N -3.67 0.44 0.58 1.78 0.52 -1.26 -5.17 118.95 112.18 1x6f s ARG 10 Ca 0.26 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1x6f s ARG 10 Cb -0.00 0.18 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1x6f s ARG 10 CO 0.13 -0.10 0.87 -0.51 0.02 0.00 0.00 175.30 175.70 1x6f s ASP 11 N -1.49 5.47 0.33 0.23 1.01 -1.26 -5.11 116.67 115.86 1x6f s ASP 11 Ca -0.14 0.52 0.08 0.00 0.71 0.00 0.00 52.55 53.71 1x6f s ASP 11 Cb -0.08 -1.49 -0.06 0.00 1.01 0.00 0.00 42.92 42.30 1x6f s ASP 11 CO 0.00 -1.09 -0.05 0.72 0.21 0.00 0.00 175.17 174.95 1x6f s PHE 12 N -2.93 2.24 -0.07 4.23 -0.71 -1.26 -5.15 117.98 114.32 1x6f s PHE 12 Ca 0.54 -0.63 0.01 0.00 -1.04 0.00 0.00 56.93 55.81 1x6f s PHE 12 Cb -0.10 -1.35 -0.03 0.00 -1.21 0.00 0.00 43.02 40.33 1x6f s PHE 12 CO 0.43 0.42 -0.07 -1.50 -1.34 0.00 0.00 175.22 173.16 1x6f s ILE 13 N -2.81 3.70 -0.93 -4.49 2.07 -1.26 -5.07 121.20 112.42 1x6f s ILE 13 Ca 0.32 -0.47 -0.09 0.00 -1.41 0.00 0.00 60.65 59.00 1x6f s ILE 13 Cb 0.05 -2.52 0.24 0.00 0.13 0.00 0.00 42.46 40.35 1x6f s ILE 13 CO 0.15 0.59 0.87 -0.63 -1.91 0.00 0.00 174.94 174.01 1x6f s ILE 14 N -0.71 5.40 0.27 2.00 1.09 -1.26 -5.02 121.20 122.98 1x6f s ILE 14 Ca 0.11 -3.08 0.04 0.00 -1.10 0.00 0.00 60.65 56.61 1x6f s ILE 14 Cb -0.11 -4.31 -0.06 0.00 -1.06 0.00 0.00 42.46 36.92 1x6f s ILE 14 CO 0.02 -1.08 0.02 -1.48 -0.10 0.00 0.00 174.94 172.31 1x6f s LEU 15 N -0.62 2.18 -0.29 2.97 0.05 -1.26 -5.16 118.68 116.54 1x6f s LEU 15 Ca 0.24 -1.29 -0.22 0.00 0.05 0.00 0.00 54.13 52.92 1x6f s LEU 15 Cb -0.11 -0.34 0.17 0.00 -2.05 0.00 0.00 46.19 43.87 1x6f s LEU 15 CO -0.09 -0.54 1.23 -0.83 -0.55 0.00 0.00 176.35 175.58 1x6f s GLY 16 N -3.39 0.24 0.17 -3.48 0.00 -1.26 -5.03 107.32 94.56 1x6f s GLY 16 Ca 0.32 3.34 -0.12 0.00 0.00 0.00 0.00 44.72 48.26 1x6f s GLY 16 CO 0.12 2.20 1.11 0.70 0.00 0.00 0.00 173.10 177.23 1x6f n ASN 17 N 2.39 -0.44 -3.63 1.64 3.02 -1.26 -4.77 115.26 112.21 1x6f n ASN 17 Ca -0.14 1.24 -0.24 0.00 -0.03 0.00 0.00 54.58 55.42 1x6f n ASN 17 Cb 0.57 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1x6f n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x6f n GLY 18 N -1.35 -0.87 3.74 7.41 0.00 -1.26 -4.82 105.19 108.03 1x6f n GLY 18 Ca 0.08 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.02 4.39 -0.36 1.61 0.04 -1.26 -4.99 135.00 129.40 1x6f s PRO 19 Ca 0.11 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 1x6f s PRO 19 Cb -0.06 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x6f s PRO 19 CO 0.69 -0.24 0.66 1.03 0.04 0.00 0.00 177.00 179.18 1x6f s ARG 20 N -0.20 3.66 0.15 4.56 1.81 -1.26 -5.04 118.95 122.63 1x6f s ARG 20 Ca 0.56 0.06 0.05 0.00 -1.72 0.00 0.00 55.73 54.68 1x6f s ARG 20 Cb -0.36 -3.82 -0.04 0.00 -0.45 0.00 0.00 34.95 30.27 1x6f s ARG 20 CO 0.39 -0.77 -0.11 -0.51 -0.68 0.00 0.00 175.30 173.62 1x6f s LEU 21 N 2.77 2.54 -0.11 2.53 2.01 -1.26 -5.12 118.68 122.03 1x6f s LEU 21 Ca 0.25 -1.01 -0.30 0.00 0.01 0.00 0.00 54.13 53.08 1x6f s LEU 21 Cb -0.14 -0.39 -0.01 0.00 0.01 0.00 0.00 46.19 45.66 1x6f s LEU 21 CO 0.15 -0.31 1.03 -1.58 1.01 0.00 0.00 176.35 176.65 1x6f s GLN 22 N -3.73 4.40 -0.00 1.70 2.00 -1.26 -5.03 119.66 117.73 1x6f s GLN 22 Ca 0.17 1.41 0.00 0.00 -2.00 0.00 0.00 55.36 54.95 1x6f s GLN 22 Cb 0.02 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.28 1x6f s GLN 22 CO 0.01 -0.36 0.00 -0.80 -0.50 0.00 0.00 175.29 173.65 1x6f s ASN 23 N 1.14 0.03 -1.04 6.67 0.01 -1.26 -5.09 114.94 115.40 1x6f s ASN 23 Ca 0.49 0.00 -0.14 0.00 -0.71 0.00 0.00 52.86 52.49 1x6f s ASN 23 Cb -0.19 -0.01 0.19 0.00 0.41 0.00 0.00 41.25 41.65 1x6f s ASN 23 CO 0.17 -0.01 1.17 -0.55 -1.51 0.00 0.00 177.10 176.36 1x6f s SER 24 N 0.13 6.93 0.29 -1.22 0.15 -1.26 -5.02 113.70 113.70 1x6f s SER 24 Ca -0.01 -2.76 -0.14 0.00 0.70 0.00 0.00 55.95 53.74 1x6f s SER 24 Cb -0.02 -2.33 -0.08 0.00 -1.71 0.00 0.00 66.02 61.88 1x6f s SER 24 CO -0.00 -0.73 0.69 -0.89 1.20 0.00 0.00 173.24 173.50 1x6f s THR 25 N 1.16 4.74 -0.11 6.45 2.01 -1.26 -4.69 115.64 123.94 1x6f s THR 25 Ca 0.33 0.84 -0.19 0.00 0.31 0.00 0.00 61.69 62.99 1x6f s THR 25 Cb -0.06 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1x6f s THR 25 CO -0.06 -0.13 0.50 -0.31 -0.69 0.00 0.00 174.62 173.93 1x6f s TYR 26 N -1.91 3.53 -0.56 4.92 1.51 0.70 -4.89 117.35 120.65 1x6f s TYR 26 Ca 0.52 0.93 -0.13 0.00 -1.01 0.00 0.00 57.07 57.38 1x6f s TYR 26 Cb -0.11 -2.57 0.14 0.00 -0.11 0.00 0.00 41.96 39.31 1x6f s TYR 26 CO 0.18 0.18 0.48 -1.14 -1.11 0.00 0.00 175.55 174.14 1x6f s GLN 27 N 0.57 2.88 0.20 -0.62 2.00 -1.26 -1.49 119.66 121.93 1x6f s GLN 27 Ca 0.27 -1.85 -0.33 0.00 -2.00 0.00 0.00 55.36 51.45 1x6f s GLN 27 Cb -0.15 -4.17 -0.13 0.00 0.80 0.00 0.00 33.01 29.35 1x6f s GLN 27 CO 0.11 -1.27 1.56 0.00 -0.50 0.00 0.00 175.29 175.19 1x6f n LYS 29 N 3.06 2.94 -0.06 0.00 0.00 -1.26 -1.58 118.16 121.27 1x6f n LYS 29 Ca 0.15 -1.78 -0.12 0.00 -0.00 0.00 0.00 58.31 56.56 1x6f n LYS 29 Cb 0.31 -1.78 -0.04 0.00 -0.00 0.00 0.00 35.03 33.52 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 0.48 0.00 0.09 5.58 8.25 -1.26 -4.80 115.22 123.57 1x6f n HIS 30 Ca 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.63 1x6f n HIS 30 Cb 0.69 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.06 -4.99 -4.76 0.00 9.92 -0.61 -5.02 116.55 111.03 1x6f n ASP 32 Ca 0.01 -0.42 -0.23 0.00 -0.53 0.00 0.00 54.79 53.62 1x6f n ASP 32 Cb 0.05 -4.00 0.09 0.00 -0.64 0.00 0.00 41.12 36.63 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1x6f s SER 33 N -3.34 4.54 -0.12 -2.24 1.04 -1.25 -4.80 113.70 107.53 1x6f s SER 33 Ca 0.40 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 1x6f s SER 33 Cb -0.18 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1x6f s SER 33 CO 0.56 -1.72 -0.08 -0.54 0.98 0.00 0.00 173.24 172.44 1x6f s LYS 34 N -5.03 1.64 0.04 4.02 1.02 -1.25 -1.77 119.74 118.41 1x6f s LYS 34 Ca 0.65 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 56.39 1x6f s LYS 34 Cb -0.06 -1.71 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1x6f s LYS 34 CO 0.43 -0.28 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.85 1x6f s LEU 35 N 1.67 2.37 0.18 3.17 1.02 -0.55 -4.91 118.68 121.63 1x6f s LEU 35 Ca 0.05 -0.52 -0.20 0.00 0.02 0.00 0.00 54.13 53.48 1x6f s LEU 35 Cb -0.13 -1.39 0.12 0.00 0.02 0.00 0.00 46.19 44.81 1x6f s LEU 35 CO -0.09 0.26 1.61 1.56 0.02 0.00 0.00 176.35 179.71 1x6f h GLN 36 N 4.67 -0.15 -2.70 1.70 7.50 -1.90 0.20 115.11 124.42 1x6f h GLN 36 Ca -0.47 0.01 0.10 0.00 0.50 0.00 0.00 58.65 58.79 1x6f h GLN 36 Cb 1.15 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.69 1x6f h GLN 36 CO 0.45 -0.10 0.45 0.45 -1.50 0.00 0.00 178.83 178.59 1x6f s SER 37 N -5.13 -0.02 0.24 1.46 0.15 -1.26 -4.34 113.70 104.79 1x6f s SER 37 Ca -0.14 -0.82 -0.14 0.00 0.70 0.00 0.00 55.95 55.55 1x6f s SER 37 Cb 0.15 0.63 0.30 0.00 -1.71 0.00 0.00 66.02 65.40 1x6f s SER 37 CO 0.70 -1.25 1.57 0.74 1.20 0.00 0.00 173.24 176.20 1x6f h THR 38 N 2.00 0.06 -0.91 6.45 2.02 -1.95 0.44 112.91 121.01 1x6f h THR 38 Ca -0.29 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.25 1x6f h THR 38 Cb 1.23 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 67.57 1x6f h THR 38 CO 0.36 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.79 1x6f n ALA 39 N -3.44 0.93 0.11 6.16 0.00 -1.26 0.19 120.51 123.20 1x6f n ALA 39 Ca 0.11 0.78 -0.24 0.00 0.00 0.00 0.00 53.44 54.09 1x6f n ALA 39 Cb 0.42 -0.83 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 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 0.47 0.00 0.00 5.08 -0.54 -3.35 114.58 116.24 1x6f h GLU 40 Ca 0.69 -0.81 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1x6f h GLU 40 Cb 1.98 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 31.53 1x6f h GLU 40 CO -0.53 1.39 -0.01 1.25 -1.00 0.00 0.00 179.01 180.11 1x6f h LEU 41 N 0.13 -0.01 -1.44 1.33 5.85 0.25 0.11 115.31 121.53 1x6f h LEU 41 Ca -0.31 0.00 0.35 0.00 0.84 0.00 0.00 57.88 58.76 1x6f h LEU 41 Cb 2.14 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 43.07 1x6f h LEU 41 CO 0.23 -0.01 0.77 0.74 -0.34 0.00 0.00 178.44 179.83 1x6f h THR 42 N -0.01 0.34 0.10 1.05 2.02 -0.72 0.53 112.91 116.22 1x6f h THR 42 Ca 0.00 -0.08 -0.25 0.00 0.77 0.00 0.00 66.41 66.85 1x6f h THR 42 Cb 0.01 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1x6f h THR 42 CO -0.00 0.04 -1.29 0.28 0.37 0.00 0.00 175.52 174.91 1x6f h SER 43 N 0.23 0.33 0.94 4.18 0.02 -1.55 -3.30 113.55 114.40 1x6f h SER 43 Ca 0.69 -0.84 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1x6f h SER 43 Cb 2.04 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 64.48 1x6f h SER 43 CO -0.32 1.56 -0.45 -0.74 -1.14 0.00 0.00 176.83 175.74 1x6f h HIS 44 N -0.40 -1.17 -0.85 3.45 6.17 0.12 -3.09 115.15 119.38 1x6f h HIS 44 Ca -0.28 -0.03 0.16 0.00 0.71 0.00 0.00 60.37 60.93 1x6f h HIS 44 Cb 1.68 0.39 -0.16 0.00 2.52 0.00 0.00 27.41 31.84 1x6f h HIS 44 CO 0.13 -0.73 -0.26 -0.07 0.71 0.00 0.00 177.93 177.72 1x6f h LEU 45 N -1.28 -0.94 -0.93 0.26 3.38 -0.24 0.39 115.31 115.94 1x6f h LEU 45 Ca -0.13 0.26 0.37 0.00 0.09 0.00 0.00 57.88 58.48 1x6f h LEU 45 Cb 0.97 0.57 -0.17 0.00 0.09 0.00 0.00 40.66 42.12 1x6f h LEU 45 CO 0.21 -0.29 0.44 0.59 0.09 0.00 0.00 178.44 179.48 1x6f n ASN 46 N -5.53 0.26 -0.14 -0.43 3.02 -1.17 0.10 115.26 111.38 1x6f n ASN 46 Ca 0.11 1.56 -0.03 0.00 -0.03 0.00 0.00 54.58 56.19 1x6f n ASN 46 Cb 0.42 -0.73 0.04 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.65 -0.66 2.41 2.04 -0.26 -1.38 117.51 120.30 1x6f h ILE 47 Ca 0.76 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 66.68 1x6f h ILE 47 Cb 1.97 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 1x6f h ILE 47 CO -0.74 0.02 0.30 0.45 0.00 0.00 0.00 178.15 178.18 1x6f h HIS 48 N 0.11 0.54 0.04 1.37 3.86 0.55 -2.23 115.15 119.39 1x6f h HIS 48 Ca 0.23 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.49 1x6f h HIS 48 Cb 0.33 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 1x6f h HIS 48 CO -0.29 0.18 -0.38 -0.91 0.86 0.00 0.00 177.93 177.39 1x6f h ASN 49 N 0.53 -1.15 -0.51 2.45 4.21 -1.15 0.33 115.58 120.30 1x6f h ASN 49 Ca 0.33 0.14 0.15 0.00 1.21 0.00 0.00 56.30 58.12 1x6f h ASN 49 Cb 0.36 0.45 -0.02 0.00 -1.12 0.00 0.00 38.32 37.99 1x6f h ASN 49 CO -0.28 -0.44 0.37 -0.33 -1.29 0.00 0.00 177.43 175.46 1x6f h GLU 50 N -0.57 0.00 0.07 0.81 4.39 -1.12 0.18 114.58 118.34 1x6f h GLU 50 Ca 0.04 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.50 1x6f h GLU 50 Cb 0.63 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1x6f h GLU 50 CO -0.27 0.00 -1.10 0.93 -1.16 0.00 0.00 179.01 177.40 1x6f h GLU 51 N 0.00 0.25 -0.04 2.33 4.39 -0.44 -3.16 114.58 117.90 1x6f h GLU 51 Ca 0.24 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1x6f h GLU 51 Cb 0.98 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1x6f h GLU 51 CO -0.00 1.13 -0.35 0.35 -1.16 0.00 0.00 179.01 178.98 1x6f h PHE 52 N 0.09 0.43 -0.97 4.33 3.57 0.19 -1.58 116.94 123.00 1x6f h PHE 52 Ca -0.09 -0.20 0.12 0.00 3.53 0.00 0.00 57.97 61.32 1x6f h PHE 52 Cb 1.81 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 40.41 1x6f h PHE 52 CO 0.05 0.96 0.61 -0.56 -2.23 0.00 0.00 178.31 177.15 1x6f h GLN 53 N -0.22 0.90 0.03 1.11 -0.00 -0.88 -1.95 115.11 114.10 1x6f h GLN 53 Ca -0.03 -0.05 -0.21 0.00 -0.00 0.00 0.00 58.65 58.35 1x6f h GLN 53 Cb 1.03 -0.20 0.02 0.00 -0.00 0.00 0.00 27.48 28.32 1x6f h GLN 53 CO 0.07 0.59 -0.85 -0.22 -0.00 0.00 0.00 178.83 178.42 1x6f h LYS 54 N 0.93 0.53 -0.87 0.06 3.64 -1.58 -3.28 116.57 115.99 1x6f h LYS 54 Ca 0.48 -0.61 0.21 0.00 -1.27 0.00 0.00 60.65 59.47 1x6f h LYS 54 Cb 0.52 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.39 1x6f h LYS 54 CO -0.24 1.23 0.34 -0.09 -2.27 0.00 0.00 179.45 178.42 1x6f h ARG 55 N 0.09 0.34 -0.88 1.90 1.12 -0.53 -0.29 114.38 116.14 1x6f h ARG 55 Ca -0.11 -0.02 0.29 0.00 -1.11 0.00 0.00 59.98 59.03 1x6f h ARG 55 Cb 1.55 -0.08 -0.16 0.00 -0.01 0.00 0.00 29.97 31.27 1x6f h ARG 55 CO 0.17 0.23 0.19 0.00 -3.11 0.00 0.00 179.97 177.44 1x6f n ALA 56 N -2.55 0.62 -0.65 2.80 0.00 -0.95 0.11 120.51 119.89 1x6f n ALA 56 Ca 0.21 0.92 -0.04 0.00 0.00 0.00 0.00 53.44 54.53 1x6f n ALA 56 Cb 0.63 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -5.17 1.29 -4.14 0.00 3.00 -0.12 -4.76 118.16 108.26 1x6f n LYS 57 Ca 0.25 -0.38 -0.32 0.00 -0.00 0.00 0.00 58.31 57.86 1x6f n LYS 57 Cb 0.85 -1.26 -0.08 0.00 0.00 0.00 0.00 35.03 34.54 1x6f n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x6f n ARG 58 N 1.56 -0.85 -3.15 1.64 1.74 0.31 -4.81 116.66 113.10 1x6f n ARG 58 Ca 0.12 0.10 -0.45 0.00 -0.77 0.00 0.00 57.85 56.85 1x6f n ARG 58 Cb 0.58 -3.64 -0.00 0.00 -1.02 0.00 0.00 32.46 28.38 1x6f n ARG 58 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x6f s GLN 59 N -6.69 4.08 -0.04 5.56 2.00 -1.07 -4.97 119.66 118.54 1x6f s GLN 59 Ca 0.36 -2.81 0.01 0.00 -2.00 0.00 0.00 55.36 50.93 1x6f s GLN 59 Cb -0.21 -4.79 0.02 0.00 0.80 0.00 0.00 33.01 28.83 1x6f s GLN 59 CO 0.89 -1.50 -0.05 -1.21 -0.50 0.00 0.00 175.29 172.93 1x6f s GLU 60 N 0.28 0.75 -0.04 1.67 8.01 -1.26 -4.57 118.70 123.54 1x6f s GLU 60 Ca 0.35 -0.12 -0.06 0.00 0.01 0.00 0.00 54.97 55.15 1x6f s GLU 60 Cb -0.07 -0.76 -0.03 0.00 -4.31 0.00 0.00 34.13 28.97 1x6f s GLU 60 CO -0.05 -0.04 -0.13 -2.13 0.01 0.00 0.00 175.26 172.92 1x6f n ARG 61 N 3.85 0.20 -1.13 1.61 3.00 -1.26 -5.05 116.66 117.89 1x6f n ARG 61 Ca -0.24 0.08 -0.31 0.00 -0.00 0.00 0.00 57.85 57.39 1x6f n ARG 61 Cb 0.52 -0.85 0.12 0.00 0.00 0.00 0.00 32.46 32.24 1x6f n ARG 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x6f s ARG 62 N -2.28 1.78 -0.19 -0.14 6.06 -1.26 -5.03 118.95 117.89 1x6f s ARG 62 Ca -0.12 1.16 -0.02 0.00 -2.50 0.00 0.00 55.73 54.25 1x6f s ARG 62 Cb 0.03 -1.84 -0.01 0.00 0.06 0.00 0.00 34.95 33.19 1x6f s ARG 62 CO 0.17 -1.98 -0.08 0.15 -2.50 0.00 0.00 175.30 171.06 1x6f s LYS 63 N -4.86 3.38 1.02 5.12 1.02 -1.26 -5.10 119.74 119.06 1x6f s LYS 63 Ca 0.63 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.81 1x6f s LYS 63 Cb -0.18 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1x6f s LYS 63 CO 0.57 -0.04 0.09 0.00 -0.92 0.00 0.00 175.35 175.04 1x6f n GLN 64 N 4.30 -0.72 -4.15 1.68 10.64 -1.26 -5.04 117.38 122.83 1x6f n GLN 64 Ca -0.18 -0.18 -0.12 0.00 -1.83 0.00 0.00 57.00 54.68 1x6f n GLN 64 Cb 0.51 -1.70 -0.08 0.00 -0.86 0.00 0.00 30.24 28.12 1x6f n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1x6f s LEU 65 N -0.05 1.00 1.06 2.61 1.43 -1.26 -5.17 118.68 118.30 1x6f s LEU 65 Ca 0.54 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 1x6f s LEU 65 Cb -0.16 0.82 0.23 0.00 0.03 0.00 0.00 46.19 47.11 1x6f s LEU 65 CO 0.68 -0.97 1.22 -0.76 0.23 0.00 0.00 176.35 176.75 1x6f s LEU 66 N -3.15 1.82 0.00 1.79 1.02 -1.26 -5.10 118.68 113.80 1x6f s LEU 66 Ca 0.35 0.46 -0.10 0.00 0.02 0.00 0.00 54.13 54.86 1x6f s LEU 66 Cb 0.04 -2.39 0.04 0.00 0.02 0.00 0.00 46.19 43.90 1x6f s LEU 66 CO 0.14 -3.31 0.63 -1.20 0.02 0.00 0.00 176.35 172.63 1x6f n SER 67 N -4.18 -1.81 -4.78 2.29 7.64 -1.26 -5.18 113.62 106.33 1x6f n SER 67 Ca 0.14 -2.50 -0.22 0.00 1.01 0.00 0.00 58.87 57.30 1x6f n SER 67 Cb 0.59 3.09 -0.05 0.00 -1.01 0.00 0.00 64.21 66.83 1x6f n SER 67 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1x6f s LYS 68 N -2.27 2.61 0.15 1.43 2.20 -1.26 -5.14 119.74 117.47 1x6f s LYS 68 Ca 0.18 -1.33 0.09 0.00 -0.36 0.00 0.00 55.97 54.55 1x6f s LYS 68 Cb -0.03 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 1x6f s LYS 68 CO 0.13 0.21 -0.20 -1.14 -0.36 0.00 0.00 175.35 173.99 1x6f s GLN 69 N -3.87 1.27 0.46 4.03 0.74 -1.26 -5.16 119.66 115.88 1x6f s GLN 69 Ca 0.37 -1.37 0.03 0.00 0.05 0.00 0.00 55.36 54.43 1x6f s GLN 69 Cb -0.05 -1.41 -0.01 0.00 1.10 0.00 0.00 33.01 32.64 1x6f s GLN 69 CO 0.24 0.30 0.09 1.63 -0.55 0.00 0.00 175.29 177.00 1x6f n LYS 70 N 0.46 0.63 -4.24 1.67 5.02 -1.26 -5.18 118.16 115.27 1x6f n LYS 70 Ca -0.14 -3.67 -0.15 0.00 -2.02 0.00 0.00 58.31 52.33 1x6f n LYS 70 Cb 0.56 1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 37.05 1x6f n LYS 70 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1x6f s TYR 71 N -3.04 1.37 -0.00 2.13 1.13 -1.26 -5.18 117.35 112.50 1x6f s TYR 71 Ca 0.13 -1.44 -0.30 0.00 -1.41 0.00 0.00 57.07 54.05 1x6f s TYR 71 Cb 0.01 -0.65 0.11 0.00 -1.10 0.00 0.00 41.96 40.33 1x6f s TYR 71 CO 0.09 -0.67 1.27 0.00 -2.51 0.00 0.00 175.55 173.73 1x6f s ALA 72 N -3.91 -2.23 0.10 9.51 0.00 -1.26 -5.19 121.76 118.78 1x6f s ALA 72 Ca 0.39 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1x6f s ALA 72 Cb 0.06 0.45 0.09 0.00 0.00 0.00 0.00 23.12 23.71 1x6f s ALA 72 CO 0.16 -1.07 1.14 0.16 0.00 0.00 0.00 175.76 176.16 1x6f s ASP 73 N -3.09 -0.01 0.00 0.00 -4.77 -1.26 -5.17 116.67 102.37 1x6f s ASP 73 Ca 0.16 -0.46 0.00 0.00 -3.30 0.00 0.00 52.55 48.95 1x6f s ASP 73 Cb 0.04 0.35 0.00 0.00 -1.09 0.00 0.00 42.92 42.22 1x6f s ASP 73 CO -0.03 -0.70 0.00 0.61 0.70 0.00 0.00 175.17 175.75 1x6f n GLY 74 N -0.74 0.59 1.80 2.12 0.00 -1.26 -5.07 105.19 102.63 1x6f n GLY 74 Ca -0.01 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 1x6f n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6f n ALA 75 N -1.00 -0.78 -2.81 4.61 0.00 -1.26 -5.05 120.51 114.22 1x6f n ALA 75 Ca 0.00 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 1x6f n ALA 75 Cb 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 17.92 1x6f n ALA 75 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x6f s PHE 76 N -3.10 3.44 -0.21 0.00 5.36 -1.26 -5.09 117.98 117.12 1x6f s PHE 76 Ca 0.06 0.40 -0.32 0.00 -0.96 0.00 0.00 56.93 56.10 1x6f s PHE 76 Cb -0.01 -1.91 0.15 0.00 -0.34 0.00 0.00 43.02 40.92 1x6f s PHE 76 CO 0.19 0.61 1.22 0.00 -1.46 0.00 0.00 175.22 175.78 1x6f s ALA 77 N -0.88 -2.06 -0.29 11.12 0.00 -1.26 -5.18 121.76 123.21 1x6f s ALA 77 Ca 0.14 1.69 -0.23 0.00 0.00 0.00 0.00 51.96 53.55 1x6f s ALA 77 Cb -0.12 -0.65 0.17 0.00 0.00 0.00 0.00 23.12 22.52 1x6f s ALA 77 CO 0.03 -0.44 1.26 0.34 0.00 0.00 0.00 175.76 176.96 1x6f s ASP 78 N -1.63 -0.20 0.01 0.00 -1.08 -1.26 -5.11 116.67 107.40 1x6f s ASP 78 Ca 0.07 0.38 -0.01 0.00 -0.52 0.00 0.00 52.55 52.47 1x6f s ASP 78 Cb -0.01 0.54 -0.00 0.00 -1.46 0.00 0.00 42.92 41.99 1x6f s ASP 78 CO -0.05 -0.06 -0.01 0.49 0.52 0.00 0.00 175.17 176.06 1x6f n PHE 79 N 2.15 0.00 -2.32 -5.34 3.72 -1.26 -5.07 117.46 109.34 1x6f n PHE 79 Ca -0.13 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.23 1x6f n PHE 79 Cb 0.57 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 39.11 1x6f n PHE 79 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1x6f n LYS 80 N -2.75 -1.56 -3.59 -1.08 0.00 -1.26 -5.07 118.16 102.85 1x6f n LYS 80 Ca -0.00 0.21 -0.13 0.00 0.00 0.00 0.00 58.31 58.39 1x6f n LYS 80 Cb 0.02 -3.28 -0.06 0.00 0.00 0.00 0.00 35.03 31.71 1x6f n LYS 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1x6f s GLN 81 N -4.25 0.73 -0.30 1.64 1.11 -1.26 -5.16 119.66 112.17 1x6f s GLN 81 Ca 0.01 0.42 -0.17 0.00 0.01 0.00 0.00 55.36 55.63 1x6f s GLN 81 Cb -0.00 0.35 0.18 0.00 -1.01 0.00 0.00 33.01 32.53 1x6f s GLN 81 CO 0.18 -0.18 1.15 -2.00 0.01 0.00 0.00 175.29 174.46 1x6f s GLU 82 N -0.57 0.16 -0.11 2.91 -6.30 -1.26 -5.09 118.70 108.45 1x6f s GLU 82 Ca -0.03 0.36 -0.07 0.00 -2.50 0.00 0.00 54.97 52.73 1x6f s GLU 82 Cb -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 34.13 34.25 1x6f s GLU 82 CO 0.02 -0.05 -0.14 0.45 0.02 0.00 0.00 175.26 175.56 1x6f n SER 83 N 4.31 1.38 0.00 -1.70 2.88 -1.26 -5.12 113.62 114.11 1x6f n SER 83 Ca -0.11 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1x6f n SER 83 Cb 0.55 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1x6f n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6f n GLY 84 N 1.64 2.51 0.60 0.46 0.00 -1.26 -5.11 105.19 104.04 1x6f n GLY 84 Ca -0.06 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1x6f n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6f n PRO 85 N 1.76 -1.38 -4.06 1.61 -0.04 -1.26 -5.10 135.00 126.52 1x6f n PRO 85 Ca 0.00 -0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.06 1x6f n PRO 85 Cb 0.00 -0.28 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 1x6f n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6f s SER 86 N -2.01 0.13 0.47 3.54 0.15 -1.26 -5.19 113.70 109.54 1x6f s SER 86 Ca 0.12 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.67 1x6f s SER 86 Cb -0.01 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1x6f s SER 86 CO 0.09 -1.10 0.01 -0.94 1.20 0.00 0.00 173.24 172.50 1x6f s SER 87 N -3.09 3.96 0.00 5.45 1.04 -1.26 -5.37 113.70 114.44 1x6f s SER 87 Ca 0.28 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1x6f s SER 87 Cb 0.01 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x6f s SER 87 CO 0.12 -0.74 0.28 0.61 0.98 0.00 0.00 173.24 174.48