#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6h s SER 2 N 0.00 4.54 -0.09 1.61 0.15 -1.26 -4.97 113.70 113.68 1x6h s SER 2 Ca 0.00 2.53 -0.20 0.00 0.70 0.00 0.00 55.95 58.98 1x6h s SER 2 Cb 0.00 -2.61 -0.17 0.00 -1.71 0.00 0.00 66.02 61.53 1x6h s SER 2 CO 0.00 -2.04 0.68 0.28 1.20 0.00 0.00 173.24 173.36 1x6h h SER 3 N 0.35 -0.06 0.00 5.45 0.02 -2.02 -3.50 113.55 113.79 1x6h h SER 3 Ca -0.50 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 59.90 1x6h h SER 3 Cb 1.32 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1x6h h SER 3 CO 0.52 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 1x6h n GLY 4 N 1.22 0.79 3.72 -3.77 0.00 -1.26 -4.53 105.19 101.36 1x6h n GLY 4 Ca -0.07 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1x6h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6h n SER 5 N 0.00 -0.64 -4.75 1.61 2.88 -1.26 -4.83 113.62 106.62 1x6h n SER 5 Ca 0.00 -0.90 -0.40 0.00 -1.33 0.00 0.00 58.87 56.24 1x6h n SER 5 Cb 0.00 -1.14 -0.05 0.00 -0.75 0.00 0.00 64.21 62.26 1x6h n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6h s SER 6 N -3.07 7.17 0.04 -3.46 1.04 -1.26 -4.82 113.70 109.34 1x6h s SER 6 Ca 0.40 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1x6h s SER 6 Cb -0.23 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1x6h s SER 6 CO 0.73 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.60 1x6h n GLY 7 N 2.36 -3.79 2.94 7.32 0.00 -1.26 -5.07 105.19 107.70 1x6h n GLY 7 Ca -0.03 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1x6h n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x6h s ARG 8 N -3.05 1.02 -0.05 1.61 3.00 -1.26 -5.02 118.95 115.20 1x6h s ARG 8 Ca 0.00 -0.21 0.20 0.00 0.00 0.00 0.00 55.73 55.72 1x6h s ARG 8 Cb 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 34.95 33.71 1x6h s ARG 8 CO 0.00 -0.01 0.38 -2.37 0.00 0.00 0.00 175.30 173.30 1x6h n THR 9 N 3.80 0.20 -4.57 0.02 5.66 -1.26 -5.00 114.28 113.13 1x6h n THR 9 Ca -0.23 -0.51 -0.27 0.00 -3.05 0.00 0.00 64.05 59.99 1x6h n THR 9 Cb 0.52 -0.04 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 1x6h n THR 9 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1x6h s HIS 10 N -3.25 2.43 -0.22 1.09 3.76 -1.26 -5.08 115.29 112.76 1x6h s HIS 10 Ca -0.08 -0.62 -0.17 0.00 -0.15 0.00 0.00 55.06 54.05 1x6h s HIS 10 Cb 0.12 -1.57 -0.18 0.00 1.11 0.00 0.00 32.58 32.05 1x6h s HIS 10 CO 0.82 0.48 0.08 0.25 -0.85 0.00 0.00 174.74 175.52 1x6h n THR 11 N -0.87 1.56 -2.77 1.30 -2.24 -1.26 -5.08 114.28 104.92 1x6h n THR 11 Ca -0.05 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1x6h n THR 11 Cb 0.65 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1x6h n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x6h n GLY 12 N 1.49 0.55 3.15 3.38 0.00 -1.26 -4.85 105.19 107.65 1x6h n GLY 12 Ca -0.38 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.55 1x6h n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6h s GLU 13 N 0.00 0.37 -0.35 1.61 2.12 -1.26 -5.12 118.70 116.07 1x6h s GLU 13 Ca 0.00 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1x6h s GLU 13 Cb 0.00 0.34 0.11 0.00 0.26 0.00 0.00 34.13 34.84 1x6h s GLU 13 CO 0.00 -0.43 0.13 0.15 -0.54 0.00 0.00 175.26 174.57 1x6h s LYS 14 N 2.91 0.93 0.37 4.30 1.02 -1.26 -4.48 119.74 123.52 1x6h s LYS 14 Ca 0.10 -1.40 0.16 0.00 0.02 0.00 0.00 55.97 54.85 1x6h s LYS 14 Cb -0.12 -2.17 0.71 0.00 -0.52 0.00 0.00 37.83 35.73 1x6h s LYS 14 CO -0.17 -1.04 1.78 -1.00 -0.92 0.00 0.00 175.35 174.01 1x6h h PRO 15 N 7.66 0.00 -6.01 -1.68 0.13 -1.86 -3.41 132.00 126.82 1x6h h PRO 15 Ca -0.09 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.46 1x6h h PRO 15 Cb 0.99 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.02 1x6h h PRO 15 CO 0.47 0.39 0.93 0.71 -0.23 0.00 0.00 178.00 180.28 1x6h s TYR 16 N -3.87 2.45 -0.20 1.56 1.51 -0.89 -4.96 117.35 112.95 1x6h s TYR 16 Ca -0.02 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1x6h s TYR 16 Cb 0.13 -4.52 -0.04 0.00 -0.11 0.00 0.00 41.96 37.42 1x6h s TYR 16 CO 0.70 -1.92 0.05 0.00 -1.11 0.00 0.00 175.55 173.28 1x6h s ALA 17 N 5.06 3.28 0.47 3.71 0.00 -1.26 0.31 121.76 133.32 1x6h s ALA 17 Ca 0.32 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 1x6h s ALA 17 Cb -0.10 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 1x6h s ALA 17 CO 0.11 -0.01 1.27 0.00 0.00 0.00 0.00 175.76 177.13 1x6h h SER 19 N 2.03 0.24 -0.72 0.00 0.87 -1.98 -3.38 113.55 110.61 1x6h h SER 19 Ca -0.50 -0.76 0.02 0.00 -1.23 0.00 0.00 61.79 59.32 1x6h h SER 19 Cb 1.26 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 1x6h h SER 19 CO 0.60 1.69 0.47 0.45 -0.53 0.00 0.00 176.83 179.50 1x6h h HIS 20 N -0.42 0.88 -1.27 2.24 3.86 -1.98 -3.45 115.15 115.01 1x6h h HIS 20 Ca -0.38 0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.22 1x6h h HIS 20 Cb 1.70 -0.29 -0.13 0.00 1.06 0.00 0.00 27.41 29.75 1x6h h HIS 20 CO 0.09 0.53 -0.53 0.00 0.86 0.00 0.00 177.93 178.89 1x6h n ASP 22 N -1.23 7.17 -4.82 0.00 9.92 -1.26 -4.37 116.55 121.96 1x6h n ASP 22 Ca -0.13 -3.55 -0.24 0.00 -0.53 0.00 0.00 54.79 50.33 1x6h n ASP 22 Cb 0.66 -1.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.02 1x6h n ASP 22 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x6h s LYS 23 N -3.10 2.96 0.07 -1.24 -0.14 -1.26 -4.97 119.74 112.05 1x6h s LYS 23 Ca 0.54 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 54.24 1x6h s LYS 23 Cb 0.41 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 1x6h s LYS 23 CO -0.19 0.45 -0.07 0.95 -0.76 0.00 0.00 175.35 175.72 1x6h s THR 24 N -1.92 0.61 -0.00 2.17 -4.23 -1.26 -0.00 115.64 111.00 1x6h s THR 24 Ca 0.32 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 1x6h s THR 24 Cb -0.09 -1.11 0.01 0.00 1.34 0.00 0.00 72.50 72.65 1x6h s THR 24 CO 0.24 -0.61 0.21 -0.36 -0.54 0.00 0.00 174.62 173.57 1x6h s PHE 25 N -2.42 -0.05 0.02 3.99 0.40 0.15 -4.98 117.98 115.09 1x6h s PHE 25 Ca 0.00 0.03 0.10 0.00 -0.60 0.00 0.00 56.93 56.46 1x6h s PHE 25 Cb -0.03 0.01 -0.16 0.00 0.51 0.00 0.00 43.02 43.35 1x6h s PHE 25 CO -0.02 -0.33 1.14 0.07 0.70 0.00 0.00 175.22 176.77 1x6h h ARG 26 N 4.08 0.00 -5.22 0.44 0.11 -1.85 -2.36 114.38 109.58 1x6h h ARG 26 Ca -0.30 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.11 1x6h h ARG 26 Cb 1.19 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.96 1x6h h ARG 26 CO 0.40 0.75 -0.82 -0.65 0.10 0.00 0.00 179.97 179.75 1x6h s GLN 27 N -2.74 3.17 0.31 0.08 -1.52 -1.26 -4.78 119.66 112.92 1x6h s GLN 27 Ca -0.00 -0.78 0.07 0.00 -1.95 0.00 0.00 55.36 52.70 1x6h s GLN 27 Cb 0.09 -2.55 0.84 0.00 -0.22 0.00 0.00 33.01 31.18 1x6h s GLN 27 CO 0.81 0.05 1.67 -0.22 -0.25 0.00 0.00 175.29 177.35 1x6h h LYS 28 N 7.18 0.32 -0.36 2.91 1.63 -1.97 0.15 116.57 126.43 1x6h h LYS 28 Ca -0.30 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.56 1x6h h LYS 28 Cb 1.20 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.67 1x6h h LYS 28 CO 0.55 0.21 -0.25 0.37 -3.45 0.00 0.00 179.45 176.88 1x6h h GLN 29 N 0.33 -0.19 -0.27 1.90 5.75 -1.98 0.37 115.11 121.01 1x6h h GLN 29 Ca 0.62 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 59.19 1x6h h GLN 29 Cb 1.27 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.80 1x6h h GLN 29 CO -0.59 -0.13 -0.15 -0.07 -2.65 0.00 0.00 178.83 175.25 1x6h h LEU 30 N -0.20 -0.48 -1.41 -2.39 3.38 -1.39 0.22 115.31 113.03 1x6h h LEU 30 Ca 0.18 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1x6h h LEU 30 Cb 0.48 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1x6h h LEU 30 CO -0.48 -0.18 0.06 0.25 0.09 0.00 0.00 178.44 178.17 1x6h h LEU 31 N -0.11 0.41 -0.14 1.67 5.85 -1.13 0.30 115.31 122.14 1x6h h LEU 31 Ca 0.14 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1x6h h LEU 31 Cb 0.33 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1x6h h LEU 31 CO -0.34 0.43 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.34 1x6h h ASP 32 N 0.44 0.31 0.11 1.25 3.58 0.12 -2.89 116.42 119.34 1x6h h ASP 32 Ca 0.10 -0.42 -0.17 0.00 0.42 0.00 0.00 57.03 56.97 1x6h h ASP 32 Cb 0.20 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1x6h h ASP 32 CO -0.00 0.66 -0.61 0.00 -2.88 0.00 0.00 179.24 176.41 1x6h h MET 33 N -0.04 0.49 -0.68 0.28 -0.00 -0.37 -3.13 114.93 111.49 1x6h h MET 33 Ca 0.03 -0.34 0.09 0.00 -0.00 0.00 0.00 59.70 59.48 1x6h h MET 33 Cb 0.54 0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 32.12 1x6h h MET 33 CO 0.02 0.95 0.34 1.25 -0.00 0.00 0.00 176.91 179.47 1x6h h HIS 34 N 0.37 0.61 0.73 -0.10 -0.00 -0.40 0.76 115.15 117.11 1x6h h HIS 34 Ca -0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1x6h h HIS 34 Cb 1.15 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 28.40 1x6h h HIS 34 CO 0.04 0.23 -0.35 0.35 -0.00 0.00 0.00 177.93 178.20 1x6h h PHE 35 N 0.59 -0.91 0.00 5.26 3.04 -1.49 0.24 116.94 123.67 1x6h h PHE 35 Ca 0.33 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1x6h h PHE 35 Cb 0.33 0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1x6h h PHE 35 CO -0.11 -0.55 0.00 1.63 -2.02 0.00 0.00 178.31 177.27 1x6h n LYS 36 N -5.47 0.04 -0.06 1.11 5.02 -1.09 -1.31 118.16 116.40 1x6h n LYS 36 Ca -0.13 0.32 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 1x6h n LYS 36 Cb 0.40 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1x6h n LYS 36 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x6h n ARG 37 N -1.37 0.37 0.02 1.97 0.63 0.24 -1.82 116.66 116.70 1x6h n ARG 37 Ca 0.02 0.27 -0.01 0.00 -0.92 0.00 0.00 57.85 57.21 1x6h n ARG 37 Cb 0.04 -1.29 -0.01 0.00 0.45 0.00 0.00 32.46 31.65 1x6h n ARG 37 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1x6h h TYR 38 N -0.74 -0.08 -0.03 -0.14 -1.99 -0.45 -3.29 116.97 110.25 1x6h h TYR 38 Ca 0.00 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1x6h h TYR 38 Cb 0.60 0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1x6h h TYR 38 CO -0.26 -0.05 0.31 0.45 -0.00 0.00 0.00 178.16 178.61 1x6h h HIS 39 N -0.30 0.00 -3.25 4.88 3.86 -1.35 -3.36 115.15 115.64 1x6h h HIS 39 Ca -0.01 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.75 1x6h h HIS 39 Cb 0.07 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.15 1x6h h HIS 39 CO 0.04 0.00 -0.76 -0.51 0.86 0.00 0.00 177.93 177.55 1x6h s ASP 40 N -4.58 1.91 0.00 2.45 1.01 -0.77 -4.98 116.67 111.71 1x6h s ASP 40 Ca -0.04 -0.28 0.12 0.00 0.71 0.00 0.00 52.55 53.07 1x6h s ASP 40 Cb 0.10 -0.44 0.74 0.00 1.01 0.00 0.00 42.92 44.32 1x6h s ASP 40 CO 0.31 -0.23 1.17 -0.81 0.21 0.00 0.00 175.17 175.81 1x6h n PRO 41 N 5.14 0.49 0.16 8.23 -0.04 -1.24 -3.26 135.00 144.48 1x6h n PRO 41 Ca -0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1x6h n PRO 41 Cb 0.49 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1x6h n PRO 41 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1x6h h ASN 42 N 0.00 -0.37 -3.02 3.54 4.21 -1.82 -3.44 115.58 114.68 1x6h h ASN 42 Ca 0.00 0.01 -0.53 0.00 1.21 0.00 0.00 56.30 57.00 1x6h h ASN 42 Cb 0.00 0.10 0.04 0.00 -1.12 0.00 0.00 38.32 37.34 1x6h h ASN 42 CO 0.00 -0.12 0.80 0.12 -1.29 0.00 0.00 177.43 176.94 1x6h s PHE 43 N -3.17 3.11 -0.05 1.19 2.19 -0.76 -5.01 117.98 115.48 1x6h s PHE 43 Ca -0.06 0.83 -0.02 0.00 0.33 0.00 0.00 56.93 58.00 1x6h s PHE 43 Cb 0.01 -3.83 0.03 0.00 -1.31 0.00 0.00 43.02 37.92 1x6h s PHE 43 CO 0.19 -2.92 0.05 0.54 1.83 0.00 0.00 175.22 174.92 1x6h s VAL 44 N 0.83 -0.03 0.12 3.12 0.11 -1.26 -4.40 120.40 118.89 1x6h s VAL 44 Ca 0.66 0.35 -0.31 0.00 -2.93 0.00 0.00 61.98 59.75 1x6h s VAL 44 Cb -0.41 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.13 1x6h s VAL 44 CO 0.34 0.17 1.35 -2.16 -3.33 0.00 0.00 175.10 171.47 1x6h s PRO 45 N 2.14 4.35 -0.45 1.54 0.04 -1.26 -4.96 135.00 136.40 1x6h s PRO 45 Ca 0.05 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1x6h s PRO 45 Cb -0.12 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1x6h s PRO 45 CO -0.04 -0.38 1.45 0.00 0.04 0.00 0.00 177.00 178.07 1x6h s ALA 46 N 0.91 2.95 -0.36 8.56 0.00 -1.26 -4.98 121.76 127.59 1x6h s ALA 46 Ca 0.62 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1x6h s ALA 46 Cb -0.36 -3.99 0.06 0.00 0.00 0.00 0.00 23.12 18.83 1x6h s ALA 46 CO 0.32 -2.58 0.14 0.00 0.00 0.00 0.00 175.76 173.64 1x6h s ALA 47 N 5.78 3.08 -0.33 0.00 0.00 -1.26 -4.72 121.76 124.31 1x6h s ALA 47 Ca 0.61 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1x6h s ALA 47 Cb -0.13 -2.33 0.10 0.00 0.00 0.00 0.00 23.12 20.76 1x6h s ALA 47 CO 0.31 -1.47 0.11 -0.06 0.00 0.00 0.00 175.76 174.64 1x6h s PHE 48 N 1.34 2.05 -0.11 0.00 0.40 -1.25 -5.04 117.98 115.38 1x6h s PHE 48 Ca 0.00 -2.02 -0.05 0.00 -0.60 0.00 0.00 56.93 54.27 1x6h s PHE 48 Cb -0.21 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1x6h s PHE 48 CO 0.01 -0.88 0.08 0.54 0.70 0.00 0.00 175.22 175.67 1x6h s VAL 49 N 1.35 5.01 0.87 -0.44 0.11 -1.26 -0.84 120.40 125.19 1x6h s VAL 49 Ca 0.11 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.06 1x6h s VAL 49 Cb -0.18 -3.16 0.11 0.00 -1.53 0.00 0.00 36.38 31.61 1x6h s VAL 49 CO -0.19 0.61 1.09 0.00 -3.33 0.00 0.00 175.10 173.27 1x6h n SER 51 N -3.46 1.65 -0.04 0.00 7.64 -1.26 -3.22 113.62 114.93 1x6h n SER 51 Ca 0.12 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.86 1x6h n SER 51 Cb 0.51 1.35 -0.12 0.00 -1.01 0.00 0.00 64.21 64.95 1x6h n SER 51 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1x6h h LYS 52 N 0.00 0.02 0.00 1.43 1.57 -1.93 -3.41 116.57 114.25 1x6h h LYS 52 Ca -0.14 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.28 1x6h h LYS 52 Cb 1.12 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1x6h h LYS 52 CO 0.01 0.79 -2.16 0.00 -0.57 0.00 0.00 179.45 177.53 1x6h n GLY 54 N 1.98 1.62 3.82 0.00 0.00 -1.20 -4.57 105.19 106.84 1x6h n GLY 54 Ca -0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1x6h n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6h s LYS 55 N -0.39 4.04 0.01 1.61 2.20 -1.26 -4.70 119.74 121.25 1x6h s LYS 55 Ca 0.00 0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 55.89 1x6h s LYS 55 Cb 0.00 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1x6h s LYS 55 CO 0.00 0.66 0.85 0.95 -0.36 0.00 0.00 175.35 177.46 1x6h s THR 56 N -1.07 4.82 0.50 3.43 -4.23 -1.26 -0.04 115.64 117.79 1x6h s THR 56 Ca 0.26 1.80 0.01 0.00 -1.18 0.00 0.00 61.69 62.58 1x6h s THR 56 Cb -0.18 -4.20 -0.01 0.00 1.34 0.00 0.00 72.50 69.45 1x6h s THR 56 CO 0.16 0.26 0.02 -0.36 -0.54 0.00 0.00 174.62 174.16 1x6h s PHE 57 N 0.52 1.83 -0.06 3.99 0.40 -0.02 -4.97 117.98 119.67 1x6h s PHE 57 Ca 0.44 -1.01 0.02 0.00 -0.60 0.00 0.00 56.93 55.77 1x6h s PHE 57 Cb -0.20 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1x6h s PHE 57 CO 0.25 0.15 -0.03 2.41 0.70 0.00 0.00 175.22 178.69 1x6h n THR 58 N -1.23 0.34 -4.52 0.64 -1.04 -1.26 -3.82 114.28 103.38 1x6h n THR 58 Ca -0.18 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.34 1x6h n THR 58 Cb 0.67 -0.76 -0.13 0.00 -1.82 0.00 0.00 70.33 68.29 1x6h n THR 58 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1x6h s ARG 59 N -2.12 3.52 0.07 -2.82 3.52 -1.26 -4.83 118.95 115.02 1x6h s ARG 59 Ca -0.06 -0.57 -0.35 0.00 -0.13 0.00 0.00 55.73 54.62 1x6h s ARG 59 Cb 0.02 -2.81 -0.18 0.00 -1.56 0.00 0.00 34.95 30.42 1x6h s ARG 59 CO 0.15 0.27 1.54 -0.09 -0.81 0.00 0.00 175.30 176.37 1x6h h ARG 60 N 6.57 -1.10 -0.87 5.12 2.43 -1.94 -1.68 114.38 122.91 1x6h h ARG 60 Ca -0.31 0.07 0.22 0.00 -0.81 0.00 0.00 59.98 59.16 1x6h h ARG 60 Cb 1.20 0.25 -0.15 0.00 -0.42 0.00 0.00 29.97 30.84 1x6h h ARG 60 CO 0.60 -0.73 0.08 -0.91 -1.51 0.00 0.00 179.97 177.50 1x6h h ASN 61 N -1.14 -0.28 -0.64 -3.80 2.35 -1.99 0.44 115.58 110.53 1x6h h ASN 61 Ca -0.10 0.22 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1x6h h ASN 61 Cb 0.92 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 1x6h h ASN 61 CO 0.08 -0.23 0.42 0.74 -1.65 0.00 0.00 177.43 176.79 1x6h h THR 62 N 0.11 1.15 0.41 2.81 2.02 -1.92 -2.26 112.91 115.22 1x6h h THR 62 Ca 0.51 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1x6h h THR 62 Cb 1.00 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1x6h h THR 62 CO -0.74 0.15 -0.20 -0.03 0.37 0.00 0.00 175.52 175.08 1x6h h MET 63 N 0.84 -0.53 -0.85 6.66 1.85 0.64 -1.32 114.93 122.22 1x6h h MET 63 Ca 0.24 0.04 0.15 0.00 -0.61 0.00 0.00 59.70 59.51 1x6h h MET 63 Cb -0.07 0.12 -0.15 0.00 0.43 0.00 0.00 31.60 31.92 1x6h h MET 63 CO -0.06 -0.22 -0.31 0.00 -0.40 0.00 0.00 176.91 175.92 1x6h h ALA 64 N -0.59 0.27 -0.21 0.39 0.00 -0.46 0.99 119.26 119.65 1x6h h ALA 64 Ca -0.06 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1x6h h ALA 64 Cb 0.55 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1x6h h ALA 64 CO 0.09 -0.55 0.05 0.00 0.00 0.00 0.00 179.25 178.84 1x6h h ARG 65 N -0.04 0.34 -0.84 0.00 3.08 -1.45 -2.99 114.38 112.48 1x6h h ARG 65 Ca 0.35 -0.08 0.21 0.00 0.07 0.00 0.00 59.98 60.52 1x6h h ARG 65 Cb 0.60 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.48 1x6h h ARG 65 CO -0.88 0.47 0.24 1.25 -1.07 0.00 0.00 179.97 179.98 1x6h h HIS 66 N 0.16 0.38 -0.85 3.04 -0.00 0.35 0.17 115.15 118.40 1x6h h HIS 66 Ca 0.07 0.05 0.20 0.00 -0.00 0.00 0.00 60.37 60.69 1x6h h HIS 66 Cb 0.28 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 27.54 1x6h h HIS 66 CO 0.01 -0.15 0.31 0.00 -0.00 0.00 0.00 177.93 178.10 1x6h h ALA 67 N 1.72 1.27 -0.06 5.26 0.00 -1.02 0.12 119.26 126.56 1x6h h ALA 67 Ca 0.52 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.63 1x6h h ALA 67 Cb 0.99 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1x6h h ALA 67 CO -0.60 -0.35 -0.47 0.22 0.00 0.00 0.00 179.25 178.06 1x6h h ASP 68 N 0.34 -1.44 0.64 0.00 3.58 -0.74 0.14 116.42 118.93 1x6h h ASP 68 Ca 0.52 0.18 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1x6h h ASP 68 Cb 0.96 0.57 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1x6h h ASP 68 CO -0.54 -0.47 0.00 0.59 -2.88 0.00 0.00 179.24 175.94 1x6h n ASN 69 N -5.45 0.01 -4.85 2.28 3.02 -0.60 -4.78 115.26 104.90 1x6h n ASN 69 Ca -0.06 0.50 -0.32 0.00 -0.03 0.00 0.00 54.58 54.68 1x6h n ASN 69 Cb 0.38 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1x6h n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x6h n ALA 71 N -1.67 1.93 0.00 0.00 0.00 -1.26 -4.93 120.51 114.57 1x6h n ALA 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x6h n ALA 71 Cb 0.54 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1x6h n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6h n GLY 72 N 2.51 -1.19 3.56 0.00 0.00 -1.26 -4.86 105.19 103.95 1x6h n GLY 72 Ca 0.00 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1x6h n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6h s PRO 73 N -1.92 2.78 -0.17 1.61 0.04 -1.24 -4.66 135.00 131.44 1x6h s PRO 73 Ca 0.00 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 1x6h s PRO 73 Cb 0.00 -4.34 -0.13 0.00 0.04 0.00 0.00 34.50 30.06 1x6h s PRO 73 CO 0.00 -2.54 0.15 -0.44 0.04 0.00 0.00 177.00 174.21 1x6h h ASP 74 N 14.43 0.00 -3.28 6.66 5.19 -1.96 -3.51 116.42 133.95 1x6h h ASP 74 Ca -0.27 -0.37 0.35 0.00 -0.62 0.00 0.00 57.03 56.11 1x6h h ASP 74 Cb 1.16 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.52 1x6h h ASP 74 CO 1.18 1.11 -0.92 0.61 -3.12 0.00 0.00 179.24 178.10 1x6h n GLY 75 N 1.55 -2.58 3.98 2.75 0.00 -1.26 -4.78 105.19 104.85 1x6h n GLY 75 Ca -0.18 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 1x6h n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x6h s VAL 76 N -3.47 3.96 -1.27 1.61 -7.23 -1.26 -4.51 120.40 108.23 1x6h s VAL 76 Ca 0.00 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1x6h s VAL 76 Cb 0.00 -3.39 0.01 0.00 0.56 0.00 0.00 36.38 33.56 1x6h s VAL 76 CO 0.00 -0.18 1.11 -0.62 -0.31 0.00 0.00 175.10 175.10 1x6h n GLU 77 N -1.77 -7.43 -3.64 4.82 -0.58 -1.26 -4.95 120.64 105.83 1x6h n GLU 77 Ca 0.01 0.79 -0.36 0.00 -0.42 0.00 0.00 57.16 57.18 1x6h n GLU 77 Cb 0.58 -5.73 -0.07 0.00 -0.57 0.00 0.00 31.44 25.66 1x6h n GLU 77 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1x6h s GLY 78 N -3.46 3.05 0.06 0.62 0.00 -1.26 -5.06 107.32 101.27 1x6h s GLY 78 Ca 0.48 -3.81 -0.11 0.00 0.00 0.00 0.00 44.72 41.28 1x6h s GLY 78 CO 0.70 1.19 0.39 -0.54 0.00 0.00 0.00 173.10 174.84 1x6h s GLU 79 N -1.29 3.78 -1.03 2.90 0.41 -1.26 -4.27 118.70 117.94 1x6h s GLU 79 Ca 0.27 0.21 -0.05 0.00 -0.41 0.00 0.00 54.97 54.99 1x6h s GLU 79 Cb -0.08 -3.05 0.01 0.00 -1.78 0.00 0.00 34.13 29.23 1x6h s GLU 79 CO -0.12 0.59 0.89 -1.71 -0.49 0.00 0.00 175.26 174.43 1x6h n ASN 80 N 1.13 -4.62 -3.76 -0.19 2.85 -1.26 -4.81 115.26 104.60 1x6h n ASN 80 Ca -0.10 -0.44 -0.54 0.00 -0.11 0.00 0.00 54.58 53.40 1x6h n ASN 80 Cb 0.52 -4.06 -0.08 0.00 1.24 0.00 0.00 39.78 37.41 1x6h n ASN 80 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x6h n SER 81 N -2.18 0.93 0.00 1.20 2.88 -1.26 -4.41 113.62 110.78 1x6h n SER 81 Ca -0.05 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1x6h n SER 81 Cb 0.57 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1x6h n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6h n GLY 82 N 3.49 0.48 0.23 0.46 0.00 -1.26 -5.06 105.19 103.52 1x6h n GLY 82 Ca 0.27 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1x6h n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6h h PRO 83 N 0.00 0.76 -4.76 1.61 0.13 -1.96 -3.48 132.00 124.31 1x6h h PRO 83 Ca 0.00 -0.40 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 1x6h h PRO 83 Cb 0.00 0.01 0.12 0.00 0.13 0.00 0.00 31.00 31.26 1x6h h PRO 83 CO 0.00 1.02 -0.55 0.45 -0.23 0.00 0.00 178.00 178.69 1x6h n SER 84 N -4.22 -4.09 -3.64 1.44 2.88 -1.26 -5.00 113.62 99.73 1x6h n SER 84 Ca -0.03 -0.44 -0.04 0.00 -1.33 0.00 0.00 58.87 57.03 1x6h n SER 84 Cb 0.49 -4.02 -0.01 0.00 -0.75 0.00 0.00 64.21 59.91 1x6h n SER 84 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6h s SER 85 N -3.56 -0.20 0.00 -3.46 1.04 -1.26 -5.35 113.70 100.91 1x6h s SER 85 Ca 0.28 -0.20 0.11 0.00 0.48 0.00 0.00 55.95 56.62 1x6h s SER 85 Cb -0.12 0.36 0.09 0.00 0.10 0.00 0.00 66.02 66.45 1x6h s SER 85 CO 0.56 -0.64 0.85 0.61 0.98 0.00 0.00 173.24 175.60