#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 0.63 0.14 1.61 0.01 -1.26 -5.17 113.70 109.66 1x6f s SER 2 Ca 0.00 -0.90 -0.03 0.00 1.31 0.00 0.00 55.95 56.33 1x6f s SER 2 Cb 0.00 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1x6f s SER 2 CO 0.00 -0.50 0.12 -0.55 0.41 0.00 0.00 173.24 172.73 1x6f s SER 3 N -2.64 0.23 0.00 2.44 0.15 -1.26 -5.17 113.70 107.45 1x6f s SER 3 Ca 0.04 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1x6f s SER 3 Cb 0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1x6f s SER 3 CO -0.07 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1x6f n GLY 4 N -0.13 2.63 3.57 9.45 0.00 -1.26 -5.19 105.19 114.26 1x6f n GLY 4 Ca -0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1x6f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6f s SER 5 N 0.00 -0.37 0.09 1.61 0.15 -1.26 -5.19 113.70 108.74 1x6f s SER 5 Ca 0.00 0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.98 1x6f s SER 5 Cb 0.00 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1x6f s SER 5 CO 0.00 -0.37 0.08 -0.44 1.20 0.00 0.00 173.24 173.71 1x6f s SER 6 N -1.25 0.31 0.00 5.45 0.01 -1.26 -5.09 113.70 111.86 1x6f s SER 6 Ca -0.01 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1x6f s SER 6 Cb -0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1x6f s SER 6 CO 0.01 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1x6f n GLY 7 N -0.02 0.77 0.83 3.44 0.00 -1.26 -5.11 105.19 103.84 1x6f n GLY 7 Ca -0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 1x6f n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x6f n LEU 8 N 0.00 0.43 -4.07 0.99 7.94 -1.26 -5.04 117.00 115.99 1x6f n LEU 8 Ca 0.00 0.05 -0.51 0.00 -1.11 0.00 0.00 56.01 54.44 1x6f n LEU 8 Cb 0.00 -0.13 -0.06 0.00 0.53 0.00 0.00 43.42 43.76 1x6f n LEU 8 CO 0.00 0.11 0.38 1.17 -1.11 0.00 0.00 177.39 177.95 1x6f n LYS 9 N -3.17 0.00 -3.59 1.96 3.00 -1.26 -4.95 118.16 110.15 1x6f n LYS 9 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.12 1x6f n LYS 9 Cb 0.56 -1.25 -0.06 0.00 0.00 0.00 0.00 35.03 34.28 1x6f n LYS 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1x6f s ARG 10 N -0.23 0.60 0.29 1.64 3.52 -1.26 -5.19 118.95 118.32 1x6f s ARG 10 Ca 0.77 0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 56.65 1x6f s ARG 10 Cb -1.08 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 32.58 1x6f s ARG 10 CO 0.52 -0.15 0.36 -0.51 -0.81 0.00 0.00 175.30 174.70 1x6f s ASP 11 N -0.67 0.76 0.30 -2.12 1.01 -1.26 -5.19 116.67 109.51 1x6f s ASP 11 Ca -0.01 -1.44 0.01 0.00 0.71 0.00 0.00 52.55 51.82 1x6f s ASP 11 Cb -0.02 0.57 -0.02 0.00 1.01 0.00 0.00 42.92 44.46 1x6f s ASP 11 CO -0.00 -1.12 0.32 0.72 0.21 0.00 0.00 175.17 175.30 1x6f s PHE 12 N -3.53 1.32 -0.01 4.23 -0.71 -1.26 -5.18 117.98 112.84 1x6f s PHE 12 Ca 0.33 -1.42 -0.01 0.00 -1.04 0.00 0.00 56.93 54.79 1x6f s PHE 12 Cb 0.02 -0.42 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 1x6f s PHE 12 CO 0.18 -0.92 0.03 0.96 -1.34 0.00 0.00 175.22 174.14 1x6f s ILE 13 N -3.51 0.01 -0.07 -4.49 -4.36 -1.26 -5.16 121.20 102.36 1x6f s ILE 13 Ca 0.36 -0.08 -0.06 0.00 -0.26 0.00 0.00 60.65 60.61 1x6f s ILE 13 Cb 0.02 -0.08 0.02 0.00 1.25 0.00 0.00 42.46 43.68 1x6f s ILE 13 CO 0.21 -0.04 0.19 -0.63 0.24 0.00 0.00 174.94 174.90 1x6f s ILE 14 N -0.12 -0.01 -0.20 8.37 1.01 -1.26 -5.14 121.20 123.85 1x6f s ILE 14 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1x6f s ILE 14 Cb -0.01 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.20 1x6f s ILE 14 CO -0.00 0.01 -0.13 -0.76 0.00 0.00 0.00 174.94 174.06 1x6f s LEU 15 N 0.27 2.53 -0.17 2.97 1.02 -1.26 -5.10 118.68 118.95 1x6f s LEU 15 Ca -0.01 -0.58 -0.14 0.00 0.02 0.00 0.00 54.13 53.42 1x6f s LEU 15 Cb -0.03 -1.60 0.05 0.00 0.02 0.00 0.00 46.19 44.63 1x6f s LEU 15 CO -0.01 -0.02 0.45 -0.83 0.02 0.00 0.00 176.35 175.96 1x6f s GLY 16 N 1.36 -0.34 0.11 -3.19 0.00 -1.26 -5.17 107.32 98.83 1x6f s GLY 16 Ca 0.05 1.35 -0.20 0.00 0.00 0.00 0.00 44.72 45.92 1x6f s GLY 16 CO -0.08 1.25 0.49 0.54 0.00 0.00 0.00 173.10 175.30 1x6f s ASN 17 N 0.52 -0.38 -0.05 1.64 2.20 -1.26 -5.16 114.94 112.44 1x6f s ASN 17 Ca -0.02 -0.08 -0.02 0.00 -0.94 0.00 0.00 52.86 51.80 1x6f s ASN 17 Cb -0.04 0.51 0.03 0.00 -2.00 0.00 0.00 41.25 39.75 1x6f s ASN 17 CO -0.03 -0.84 0.05 -0.83 -2.94 0.00 0.00 177.10 172.51 1x6f s GLY 18 N -2.52 0.27 -0.57 0.45 0.00 -1.26 -5.10 107.32 98.59 1x6f s GLY 18 Ca -0.00 0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.57 1x6f s GLY 18 CO -0.09 1.31 1.83 2.56 0.00 0.00 0.00 173.10 178.71 1x6f s PRO 19 N 2.08 2.76 0.94 2.90 0.04 -1.26 -4.98 135.00 137.48 1x6f s PRO 19 Ca 0.04 0.73 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 1x6f s PRO 19 Cb -0.12 -4.35 0.16 0.00 0.04 0.00 0.00 34.50 30.23 1x6f s PRO 19 CO -0.03 -2.57 1.13 1.03 0.04 0.00 0.00 177.00 176.59 1x6f s ARG 20 N 6.78 0.87 -0.39 4.56 0.52 -1.26 -4.86 118.95 125.17 1x6f s ARG 20 Ca 0.68 0.30 -0.40 0.00 -0.52 0.00 0.00 55.73 55.80 1x6f s ARG 20 Cb -0.14 -1.81 -0.15 0.00 0.52 0.00 0.00 34.95 33.37 1x6f s ARG 20 CO 0.23 -2.38 2.05 1.28 0.02 0.00 0.00 175.30 176.50 1x6f n LEU 21 N -3.90 1.69 -4.27 2.53 4.77 -1.26 -4.87 117.00 111.69 1x6f n LEU 21 Ca 0.07 0.67 -0.43 0.00 -0.03 0.00 0.00 56.01 56.28 1x6f n LEU 21 Cb 0.59 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 1x6f n LEU 21 CO 0.57 -0.69 0.49 -1.58 -1.33 0.00 0.00 177.39 174.85 1x6f s GLN 22 N 5.44 3.64 0.28 3.23 0.74 -1.26 -4.99 119.66 126.74 1x6f s GLN 22 Ca 1.10 -2.86 -0.20 0.00 0.05 0.00 0.00 55.36 53.46 1x6f s GLN 22 Cb -1.14 -4.32 0.05 0.00 1.10 0.00 0.00 33.01 28.70 1x6f s GLN 22 CO 0.60 -1.26 0.85 0.54 -0.55 0.00 0.00 175.29 175.48 1x6f s ASN 23 N 1.34 -0.08 -0.43 6.67 2.20 -1.26 -5.13 114.94 118.25 1x6f s ASN 23 Ca 0.24 -0.82 -0.12 0.00 -0.94 0.00 0.00 52.86 51.22 1x6f s ASN 23 Cb -0.11 0.70 0.07 0.00 -2.00 0.00 0.00 41.25 39.90 1x6f s ASN 23 CO -0.08 -1.35 0.29 -0.55 -2.94 0.00 0.00 177.10 172.47 1x6f s SER 24 N -3.09 5.82 0.34 3.54 0.15 -1.26 -5.07 113.70 114.13 1x6f s SER 24 Ca 0.15 -1.34 0.09 0.00 0.70 0.00 0.00 55.95 55.55 1x6f s SER 24 Cb -0.04 -2.06 -0.06 0.00 -1.71 0.00 0.00 66.02 62.15 1x6f s SER 24 CO 0.08 -0.54 -0.03 0.42 1.20 0.00 0.00 173.24 174.36 1x6f s THR 25 N 1.52 2.47 -0.30 6.45 -4.23 -1.26 -4.58 115.64 115.71 1x6f s THR 25 Ca 0.03 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1x6f s THR 25 Cb -0.23 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1x6f s THR 25 CO 0.04 -0.20 0.05 -0.31 -0.54 0.00 0.00 174.62 173.66 1x6f s TYR 26 N -2.55 3.16 -0.61 3.99 1.51 0.89 -4.87 117.35 118.87 1x6f s TYR 26 Ca 0.34 -1.27 -0.27 0.00 -1.01 0.00 0.00 57.07 54.86 1x6f s TYR 26 Cb 0.01 -2.21 0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1x6f s TYR 26 CO 0.18 -0.66 1.13 -0.65 -1.11 0.00 0.00 175.55 174.44 1x6f s GLN 27 N 1.42 3.39 0.12 -0.62 -1.52 -1.26 -1.89 119.66 119.30 1x6f s GLN 27 Ca 0.00 -0.03 -0.31 0.00 -1.95 0.00 0.00 55.36 53.07 1x6f s GLN 27 Cb -0.18 -4.07 -0.09 0.00 -0.22 0.00 0.00 33.01 28.45 1x6f s GLN 27 CO 0.01 -1.72 1.67 0.00 -0.25 0.00 0.00 175.29 174.99 1x6f n LYS 29 N 5.01 2.56 -0.05 0.00 -0.00 -1.26 -0.56 118.16 123.86 1x6f n LYS 29 Ca 0.16 -1.31 -0.06 0.00 -0.00 0.00 0.00 58.31 57.10 1x6f n LYS 29 Cb 0.39 -1.77 -0.05 0.00 -0.00 0.00 0.00 35.03 33.61 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 0.28 0.00 -0.63 5.58 8.25 -1.26 -4.80 115.22 122.64 1x6f n HIS 30 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1x6f n HIS 30 Cb 0.61 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.01 -4.41 -3.31 0.00 9.92 0.27 -5.02 116.55 113.99 1x6f n ASP 32 Ca 0.00 -0.44 -0.11 0.00 -0.53 0.00 0.00 54.79 53.71 1x6f n ASP 32 Cb 0.16 -4.06 0.06 0.00 -0.64 0.00 0.00 41.12 36.63 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 -2.22 0.74 -3.84 -2.24 2.88 -1.23 -4.80 113.62 102.91 1x6f n SER 33 Ca -0.06 -1.61 -0.22 0.00 -1.33 0.00 0.00 58.87 55.65 1x6f n SER 33 Cb 0.57 -0.31 -0.17 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.67 0.79 0.27 -1.46 1.02 -1.26 -2.22 119.74 113.21 1x6f s LYS 34 Ca 0.33 -0.02 0.11 0.00 0.02 0.00 0.00 55.97 56.40 1x6f s LYS 34 Cb -0.02 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.28 1x6f s LYS 34 CO 0.22 -0.19 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.77 1x6f s LEU 35 N 1.44 2.59 0.00 3.17 1.02 -0.79 -4.89 118.68 121.23 1x6f s LEU 35 Ca -0.03 -1.05 -0.13 0.00 0.02 0.00 0.00 54.13 52.94 1x6f s LEU 35 Cb -0.13 -0.98 -0.07 0.00 0.02 0.00 0.00 46.19 45.02 1x6f s LEU 35 CO -0.03 -0.04 0.83 1.56 0.02 0.00 0.00 176.35 178.68 1x6f h GLN 36 N 2.30 -0.45 -4.68 1.70 1.08 -1.90 0.25 115.11 113.42 1x6f h GLN 36 Ca -0.40 0.03 -0.39 0.00 -1.45 0.00 0.00 58.65 56.44 1x6f h GLN 36 Cb 1.25 0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 28.66 1x6f h GLN 36 CO 0.62 -0.30 -0.44 -1.54 -0.95 0.00 0.00 178.83 176.22 1x6f s SER 37 N -3.56 1.29 0.21 1.46 1.04 -1.26 -4.14 113.70 108.74 1x6f s SER 37 Ca -0.07 -1.64 -0.11 0.00 0.48 0.00 0.00 55.95 54.61 1x6f s SER 37 Cb 0.01 0.56 0.29 0.00 0.10 0.00 0.00 66.02 66.98 1x6f s SER 37 CO 0.21 -1.09 1.68 0.74 0.98 0.00 0.00 173.24 175.76 1x6f h THR 38 N 2.20 0.55 -1.05 2.02 2.02 -1.97 -0.08 112.91 116.59 1x6f h THR 38 Ca -0.27 -0.05 0.40 0.00 0.77 0.00 0.00 66.41 67.26 1x6f h THR 38 Cb 1.24 0.37 -0.17 0.00 -1.74 0.00 0.00 68.15 67.85 1x6f h THR 38 CO 0.39 0.03 0.59 0.00 0.37 0.00 0.00 175.52 176.90 1x6f h ALA 39 N 1.53 2.20 0.02 6.16 0.00 -2.00 1.18 119.26 128.35 1x6f h ALA 39 Ca 0.32 0.23 -0.24 0.00 0.00 0.00 0.00 54.91 55.22 1x6f h ALA 39 Cb 0.50 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1x6f h ALA 39 CO -0.48 -0.94 -1.00 0.93 0.00 0.00 0.00 179.25 177.76 1x6f h GLU 40 N 0.08 0.49 -0.30 0.00 4.39 -1.42 -3.24 114.58 114.57 1x6f h GLU 40 Ca 0.82 -0.55 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1x6f h GLU 40 Cb 2.18 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.98 1x6f h GLU 40 CO -0.69 1.19 -0.18 1.25 -1.16 0.00 0.00 179.01 179.42 1x6f h LEU 41 N 0.27 0.54 -2.02 1.33 5.85 0.15 -0.20 115.31 121.23 1x6f h LEU 41 Ca -0.10 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1x6f h LEU 41 Cb 1.65 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1x6f h LEU 41 CO 0.18 0.73 0.13 0.74 -0.34 0.00 0.00 178.44 179.88 1x6f h THR 42 N 0.49 0.88 0.07 1.05 2.02 -0.57 0.23 112.91 117.08 1x6f h THR 42 Ca 0.08 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.89 1x6f h THR 42 Cb 0.59 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1x6f h THR 42 CO 0.04 0.00 -2.15 -1.20 0.37 0.00 0.00 175.52 172.58 1x6f n SER 43 N -4.44 2.05 -0.16 4.18 7.64 -0.98 -3.96 113.62 117.96 1x6f n SER 43 Ca 0.01 0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.91 1x6f n SER 43 Cb 0.26 -0.71 0.01 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.06 0.67 -0.59 1.43 6.17 -0.73 -2.88 115.15 119.16 1x6f h HIS 44 Ca -0.49 -0.03 0.06 0.00 0.71 0.00 0.00 60.37 60.61 1x6f h HIS 44 Cb 1.93 -0.21 -0.05 0.00 2.52 0.00 0.00 27.41 31.60 1x6f h HIS 44 CO 0.06 0.54 0.30 -0.07 0.71 0.00 0.00 177.93 179.47 1x6f h LEU 45 N 0.60 0.43 -0.94 0.26 3.38 -0.74 -2.09 115.31 116.20 1x6f h LEU 45 Ca 0.16 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.45 1x6f h LEU 45 Cb 0.13 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 40.67 1x6f h LEU 45 CO -0.02 0.28 0.26 0.78 0.09 0.00 0.00 178.44 179.84 1x6f h ASN 46 N 0.57 -0.03 -1.03 -0.43 -0.26 -1.63 0.70 115.58 113.47 1x6f h ASN 46 Ca 0.27 0.23 0.27 0.00 -0.56 0.00 0.00 56.30 56.50 1x6f h ASN 46 Cb 0.19 0.31 -0.12 0.00 -1.06 0.00 0.00 38.32 37.64 1x6f h ASN 46 CO -0.19 -0.26 0.63 0.40 -1.06 0.00 0.00 177.43 176.96 1x6f h ILE 47 N 0.13 0.49 0.37 2.81 2.04 -1.43 0.49 117.51 122.41 1x6f h ILE 47 Ca 0.63 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 66.31 1x6f h ILE 47 Cb 1.39 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1x6f h ILE 47 CO -0.74 0.09 -0.18 0.45 0.00 0.00 0.00 178.15 177.77 1x6f h HIS 48 N 0.47 -0.46 -0.63 1.37 3.86 0.29 -2.95 115.15 117.10 1x6f h HIS 48 Ca 0.64 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.96 1x6f h HIS 48 Cb 1.42 0.15 -0.12 0.00 1.06 0.00 0.00 27.41 29.92 1x6f h HIS 48 CO -0.01 -0.29 -0.31 -0.91 0.86 0.00 0.00 177.93 177.27 1x6f h ASN 49 N -1.06 -1.10 -0.86 2.45 2.35 -1.16 0.57 115.58 116.77 1x6f h ASN 49 Ca -0.05 0.23 0.17 0.00 -0.55 0.00 0.00 56.30 56.10 1x6f h ASN 49 Cb 0.38 0.57 -0.06 0.00 0.05 0.00 0.00 38.32 39.25 1x6f h ASN 49 CO 0.08 -0.29 0.56 1.05 -1.65 0.00 0.00 177.43 177.18 1x6f h GLU 50 N -0.13 0.48 -0.02 0.81 4.11 -1.04 -1.16 114.58 117.63 1x6f h GLU 50 Ca 0.25 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.49 1x6f h GLU 50 Cb 0.55 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1x6f h GLU 50 CO -0.70 0.32 -0.63 0.93 0.07 0.00 0.00 179.01 178.99 1x6f h GLU 51 N 0.49 0.47 -0.92 1.06 4.39 0.13 -3.27 114.58 116.94 1x6f h GLU 51 Ca 0.44 -0.48 0.18 0.00 0.34 0.00 0.00 59.36 59.84 1x6f h GLU 51 Cb 0.94 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.62 1x6f h GLU 51 CO -0.17 1.12 0.51 0.35 -1.16 0.00 0.00 179.01 179.65 1x6f h PHE 52 N 0.01 0.88 -0.97 4.33 3.57 0.75 0.04 116.94 125.54 1x6f h PHE 52 Ca -0.07 0.04 0.27 0.00 3.53 0.00 0.00 57.97 61.73 1x6f h PHE 52 Cb 1.32 -0.25 -0.14 0.00 2.79 0.00 0.00 35.95 39.68 1x6f h PHE 52 CO 0.13 0.16 0.51 1.96 -2.23 0.00 0.00 178.31 178.85 1x6f h GLN 53 N 0.64 0.40 -0.39 1.11 1.08 -1.47 0.30 115.11 116.77 1x6f h GLN 53 Ca 0.53 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.62 1x6f h GLN 53 Cb 0.84 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1x6f h GLN 53 CO -0.40 0.26 -0.12 -0.22 -0.95 0.00 0.00 178.83 177.41 1x6f h LYS 54 N 0.41 0.76 -0.97 1.46 1.63 -1.14 -3.06 116.57 115.66 1x6f h LYS 54 Ca 0.66 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 60.17 1x6f h LYS 54 Cb 1.37 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.91 1x6f h LYS 54 CO -0.56 0.91 0.64 0.00 -3.45 0.00 0.00 179.45 176.99 1x6f h ARG 55 N 0.57 1.25 -1.55 1.90 3.08 -0.40 -2.05 114.38 117.19 1x6f h ARG 55 Ca 0.10 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1x6f h ARG 55 Cb 0.64 -0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 1x6f h ARG 55 CO 0.04 0.83 0.21 0.00 -1.07 0.00 0.00 179.97 179.98 1x6f n ALA 56 N -2.37 4.26 -1.00 0.04 0.00 -0.32 -4.96 120.51 116.17 1x6f n ALA 56 Ca 0.12 -0.86 -0.35 0.00 0.00 0.00 0.00 53.44 52.35 1x6f n ALA 56 Cb 0.03 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.39 1x6f n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x6f n LYS 57 N 0.66 -0.04 -1.59 0.00 0.00 -0.77 -4.89 118.16 111.54 1x6f n LYS 57 Ca 0.16 0.03 -0.36 0.00 -0.00 0.00 0.00 58.31 58.13 1x6f n LYS 57 Cb 0.61 -1.70 0.08 0.00 -0.00 0.00 0.00 35.03 34.02 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 -0.67 0.89 -3.82 -1.58 3.00 -1.26 -5.02 116.66 108.20 1x6f n ARG 58 Ca 0.07 0.36 -0.06 0.00 -0.01 0.00 0.00 57.85 58.21 1x6f n ARG 58 Cb 0.52 -2.47 -0.01 0.00 0.00 0.00 0.00 32.46 30.51 1x6f n ARG 58 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1x6f s GLN 59 N -3.45 1.63 -0.16 5.56 -2.07 -1.26 -5.02 119.66 114.88 1x6f s GLN 59 Ca 0.80 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 1x6f s GLN 59 Cb -0.37 0.52 0.17 0.00 -1.09 0.00 0.00 33.01 32.25 1x6f s GLN 59 CO 0.43 -0.75 1.60 -1.91 -1.32 0.00 0.00 175.29 173.34 1x6f n GLU 60 N -0.50 1.43 -2.22 9.60 4.07 -1.26 -3.92 120.64 127.85 1x6f n GLU 60 Ca -0.05 -0.94 -0.06 0.00 -0.06 0.00 0.00 57.16 56.04 1x6f n GLU 60 Cb 0.60 -1.37 0.05 0.00 -0.06 0.00 0.00 31.44 30.66 1x6f n GLU 60 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x6f n ARG 61 N 0.34 2.06 -4.31 5.31 1.74 -1.26 -5.08 116.66 115.46 1x6f n ARG 61 Ca 0.18 -3.49 -0.20 0.00 -0.77 0.00 0.00 57.85 53.57 1x6f n ARG 61 Cb 0.72 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 1x6f n ARG 61 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x6f s ARG 62 N -3.19 1.76 -0.29 5.56 0.52 -1.25 -5.18 118.95 116.88 1x6f s ARG 62 Ca 0.36 -2.03 -0.22 0.00 -0.52 0.00 0.00 55.73 53.32 1x6f s ARG 62 Cb 0.36 0.20 0.17 0.00 0.52 0.00 0.00 34.95 36.21 1x6f s ARG 62 CO -0.04 -0.62 1.26 0.21 0.02 0.00 0.00 175.30 176.13 1x6f s LYS 63 N -3.50 0.20 -0.01 3.54 2.36 -1.26 -5.12 119.74 115.95 1x6f s LYS 63 Ca 0.38 0.27 -0.30 0.00 -2.55 0.00 0.00 55.97 53.78 1x6f s LYS 63 Cb 0.02 0.09 0.11 0.00 -1.05 0.00 0.00 37.83 37.00 1x6f s LYS 63 CO 0.25 -0.03 1.09 1.14 1.55 0.00 0.00 175.35 179.35 1x6f s GLN 64 N 0.39 0.68 0.07 4.03 1.03 -1.26 -5.19 119.66 119.41 1x6f s GLN 64 Ca 0.02 -0.32 -0.05 0.00 0.04 0.00 0.00 55.36 55.04 1x6f s GLN 64 Cb -0.04 0.27 -0.02 0.00 0.03 0.00 0.00 33.01 33.24 1x6f s GLN 64 CO -0.12 -0.31 0.10 -0.51 -2.54 0.00 0.00 175.29 171.91 1x6f s LEU 65 N -2.65 1.86 0.40 2.60 1.43 -1.26 -5.17 118.68 115.89 1x6f s LEU 65 Ca 0.10 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1x6f s LEU 65 Cb 0.00 0.68 -0.00 0.00 0.03 0.00 0.00 46.19 46.90 1x6f s LEU 65 CO -0.04 -0.66 0.51 -0.76 0.23 0.00 0.00 176.35 175.63 1x6f s LEU 66 N -2.81 3.67 0.23 1.79 1.02 -1.26 -5.14 118.68 116.18 1x6f s LEU 66 Ca 0.05 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.77 1x6f s LEU 66 Cb 0.05 -2.56 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1x6f s LEU 66 CO -0.10 -0.66 0.14 -0.94 0.02 0.00 0.00 176.35 174.81 1x6f s SER 67 N -4.26 0.56 -0.19 2.29 1.04 -1.26 -5.18 113.70 106.70 1x6f s SER 67 Ca 0.51 -1.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.23 1x6f s SER 67 Cb -0.09 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.51 1x6f s SER 67 CO 0.31 -0.84 1.00 -0.75 0.98 0.00 0.00 173.24 173.94 1x6f s LYS 68 N -4.06 0.58 -0.20 4.02 2.36 -1.26 -5.18 119.74 116.01 1x6f s LYS 68 Ca 0.39 0.28 -0.29 0.00 -2.55 0.00 0.00 55.97 53.80 1x6f s LYS 68 Cb 0.07 0.28 0.13 0.00 -1.05 0.00 0.00 37.83 37.26 1x6f s LYS 68 CO 0.14 -0.15 1.05 1.14 1.55 0.00 0.00 175.35 179.07 1x6f s GLN 69 N -0.73 0.52 -0.28 4.03 0.00 -1.26 -5.18 119.66 116.76 1x6f s GLN 69 Ca -0.01 0.23 -0.20 0.00 -0.00 0.00 0.00 55.36 55.37 1x6f s GLN 69 Cb -0.02 0.25 0.12 0.00 0.00 0.00 0.00 33.01 33.36 1x6f s GLN 69 CO -0.00 -0.14 0.95 0.21 0.00 0.00 0.00 175.29 176.30 1x6f s LYS 70 N -0.78 0.50 0.05 9.60 2.20 -1.26 -5.18 119.74 124.87 1x6f s LYS 70 Ca 0.00 0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 56.28 1x6f s LYS 70 Cb -0.02 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1x6f s LYS 70 CO -0.01 -0.08 0.10 0.71 -0.36 0.00 0.00 175.35 175.70 1x6f s TYR 71 N 0.83 0.24 -0.11 4.03 1.51 -1.26 -5.17 117.35 117.42 1x6f s TYR 71 Ca -0.03 -0.59 -0.32 0.00 -1.01 0.00 0.00 57.07 55.11 1x6f s TYR 71 Cb -0.04 -0.16 0.12 0.00 -0.11 0.00 0.00 41.96 41.77 1x6f s TYR 71 CO -0.11 -0.40 1.06 0.00 -1.11 0.00 0.00 175.55 174.99 1x6f s ALA 72 N -3.01 -1.96 0.09 3.71 0.00 -1.26 -5.10 121.76 114.24 1x6f s ALA 72 Ca -0.02 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1x6f s ALA 72 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1x6f s ALA 72 CO -0.06 -0.60 0.00 -0.40 0.00 0.00 0.00 175.76 174.69 1x6f n ASP 73 N -0.08 0.82 0.00 0.00 5.75 -1.26 -5.16 116.55 116.62 1x6f n ASP 73 Ca -0.04 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1x6f n ASP 73 Cb 0.60 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1x6f n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6f n GLY 74 N 3.30 -2.35 3.47 6.12 0.00 -1.26 -5.10 105.19 109.37 1x6f n GLY 74 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.99 0.77 0.10 4.61 0.00 -1.26 -5.11 121.76 117.89 1x6f s ALA 75 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1x6f s ALA 75 Cb 0.00 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.30 1x6f s ALA 75 CO 0.00 -0.78 0.00 0.34 0.00 0.00 0.00 175.76 175.32 1x6f n PHE 76 N -0.54 -0.12 -3.77 0.00 -0.00 -1.26 -5.16 117.46 106.61 1x6f n PHE 76 Ca 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 57.45 57.49 1x6f n PHE 76 Cb 0.62 0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.13 1x6f n PHE 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x6f s ALA 77 N -2.00 -2.21 -0.30 3.13 0.00 -1.26 -5.16 121.76 113.96 1x6f s ALA 77 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1x6f s ALA 77 Cb 0.00 0.58 0.17 0.00 0.00 0.00 0.00 23.12 23.88 1x6f s ALA 77 CO 0.00 -1.09 0.91 -0.51 0.00 0.00 0.00 175.76 175.07 1x6f s ASP 78 N -3.28 -0.75 -0.06 0.00 1.01 -1.26 -5.15 116.67 107.17 1x6f s ASP 78 Ca 0.20 0.64 -0.00 0.00 0.71 0.00 0.00 52.55 54.09 1x6f s ASP 78 Cb 0.02 1.70 0.03 0.00 1.01 0.00 0.00 42.92 45.67 1x6f s ASP 78 CO -0.02 -0.14 -0.02 -0.36 0.21 0.00 0.00 175.17 174.84 1x6f s PHE 79 N 2.78 0.75 0.00 4.23 0.40 -1.26 -5.14 117.98 119.75 1x6f s PHE 79 Ca 0.04 -0.22 -0.18 0.00 -0.60 0.00 0.00 56.93 55.96 1x6f s PHE 79 Cb -0.10 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.68 1x6f s PHE 79 CO -0.16 -0.29 0.38 0.15 0.70 0.00 0.00 175.22 176.00 1x6f s LYS 80 N 1.57 0.80 0.06 0.44 -0.14 -1.26 -5.18 119.74 116.04 1x6f s LYS 80 Ca -0.01 -0.22 -0.15 0.00 -1.36 0.00 0.00 55.97 54.24 1x6f s LYS 80 Cb -0.13 0.36 0.03 0.00 -1.68 0.00 0.00 37.83 36.40 1x6f s LYS 80 CO -0.04 -0.24 0.34 -1.14 -0.76 0.00 0.00 175.35 173.51 1x6f s GLN 81 N -1.74 0.89 0.00 1.68 0.74 -1.26 -5.18 119.66 114.79 1x6f s GLN 81 Ca -0.10 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 1x6f s GLN 81 Cb -0.03 0.39 0.11 0.00 1.10 0.00 0.00 33.01 34.58 1x6f s GLN 81 CO 0.02 -0.31 1.26 -1.83 -0.55 0.00 0.00 175.29 173.89 1x6f s GLU 82 N -2.89 0.48 0.57 1.67 1.03 -1.26 -5.17 118.70 113.12 1x6f s GLU 82 Ca -0.03 -0.27 -0.05 0.00 0.03 0.00 0.00 54.97 54.66 1x6f s GLU 82 Cb 0.00 0.16 0.01 0.00 -0.80 0.00 0.00 34.13 33.50 1x6f s GLU 82 CO -0.05 -0.22 0.86 -1.12 -1.33 0.00 0.00 175.26 173.40 1x6f s SER 83 N -3.04 5.62 -0.27 0.83 0.01 -1.26 -5.10 113.70 110.49 1x6f s SER 83 Ca 0.15 0.63 -0.26 0.00 1.31 0.00 0.00 55.95 57.77 1x6f s SER 83 Cb 0.04 -1.65 0.15 0.00 0.21 0.00 0.00 66.02 64.77 1x6f s SER 83 CO -0.03 -1.01 1.20 -0.83 0.41 0.00 0.00 173.24 172.98 1x6f s GLY 84 N -4.29 0.02 1.14 3.44 0.00 -1.26 -5.18 107.32 101.19 1x6f s GLY 84 Ca 0.53 2.86 -0.17 0.00 0.00 0.00 0.00 44.72 47.94 1x6f s GLY 84 CO 0.44 1.64 1.10 2.56 0.00 0.00 0.00 173.10 178.84 1x6f s PRO 85 N -0.22 -0.70 -0.23 2.90 0.04 -1.26 -5.08 135.00 130.44 1x6f s PRO 85 Ca 0.04 0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.15 1x6f s PRO 85 Cb -0.04 -1.64 0.11 0.00 0.04 0.00 0.00 34.50 32.98 1x6f s PRO 85 CO -0.08 -3.40 0.46 -1.54 0.04 0.00 0.00 177.00 172.48 1x6f s SER 86 N -3.74 -0.38 -0.30 6.66 1.04 -1.26 -5.14 113.70 110.58 1x6f s SER 86 Ca 0.69 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.87 1x6f s SER 86 Cb -0.13 1.52 0.17 0.00 0.10 0.00 0.00 66.02 67.68 1x6f s SER 86 CO 0.57 -0.25 1.04 -0.55 0.98 0.00 0.00 173.24 175.03 1x6f s SER 87 N 2.66 -0.48 0.00 7.02 0.15 -1.26 -5.39 113.70 116.40 1x6f s SER 87 Ca 0.03 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1x6f s SER 87 Cb -0.13 1.50 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1x6f s SER 87 CO -0.15 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.80