#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 6.18 0.05 1.61 0.15 -1.26 -4.89 113.70 115.55 1x6h s SER 2 Ca 0.00 -1.63 0.10 0.00 0.70 0.00 0.00 55.95 55.12 1x6h s SER 2 Cb 0.00 -2.21 -0.21 0.00 -1.71 0.00 0.00 66.02 61.89 1x6h s SER 2 CO 0.00 -0.83 1.00 0.77 1.20 0.00 0.00 173.24 175.37 1x6h h SER 3 N 8.89 0.00 -5.84 5.45 4.64 -2.11 -3.47 113.55 121.10 1x6h h SER 3 Ca -0.30 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.64 1x6h h SER 3 Cb 1.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1x6h h SER 3 CO 1.01 0.96 -0.09 0.61 -0.87 0.00 0.00 176.83 178.45 1x6h n GLY 4 N 1.44 2.15 3.46 -0.77 0.00 -1.26 -5.11 105.19 105.09 1x6h n GLY 4 Ca -0.08 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 1x6h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6h s SER 5 N -3.71 4.96 -0.37 1.61 0.15 -1.26 -5.07 113.70 110.00 1x6h s SER 5 Ca 0.42 -0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.83 1x6h s SER 5 Cb -0.03 -1.86 0.07 0.00 -1.71 0.00 0.00 66.02 62.49 1x6h s SER 5 CO 0.27 0.05 0.15 -0.94 1.20 0.00 0.00 173.24 173.96 1x6h s SER 6 N 1.12 5.31 0.00 5.45 1.04 -1.26 -4.92 113.70 120.44 1x6h s SER 6 Ca 0.03 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1x6h s SER 6 Cb -0.14 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1x6h s SER 6 CO 0.02 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1x6h n GLY 7 N 4.75 2.04 3.83 7.32 0.00 -1.26 -5.10 105.19 116.78 1x6h n GLY 7 Ca -0.09 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 1x6h n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x6h s ARG 8 N -2.71 3.98 -0.16 1.61 3.52 -1.26 -5.08 118.95 118.86 1x6h s ARG 8 Ca 0.00 0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 56.06 1x6h s ARG 8 Cb 0.00 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1x6h s ARG 8 CO 0.00 0.65 -0.08 0.95 -0.81 0.00 0.00 175.30 176.01 1x6h s THR 9 N -1.15 3.43 -0.20 4.11 -4.23 -1.26 -5.09 115.64 111.25 1x6h s THR 9 Ca 0.27 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1x6h s THR 9 Cb -0.17 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1x6h s THR 9 CO 0.16 0.49 0.07 -1.00 -0.54 0.00 0.00 174.62 173.80 1x6h s HIS 10 N 0.57 0.64 0.85 3.99 3.76 -1.26 -5.14 115.29 118.70 1x6h s HIS 10 Ca -0.05 -0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.07 1x6h s HIS 10 Cb -0.15 -0.91 0.10 0.00 1.11 0.00 0.00 32.58 32.73 1x6h s HIS 10 CO 0.03 -0.61 1.11 0.95 -0.85 0.00 0.00 174.74 175.37 1x6h s THR 11 N 1.99 2.78 0.00 1.30 -4.23 -1.26 -4.93 115.64 111.29 1x6h s THR 11 Ca 0.02 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1x6h s THR 11 Cb -0.17 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1x6h s THR 11 CO -0.12 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1x6h n GLY 12 N -0.66 -2.04 2.85 3.99 0.00 -1.26 -5.12 105.19 102.96 1x6h n GLY 12 Ca 0.10 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 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 0.33 -0.13 1.61 2.12 -1.26 -5.13 118.70 116.24 1x6h s GLU 13 Ca 0.00 0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 1x6h s GLU 13 Cb 0.00 -0.59 0.06 0.00 0.26 0.00 0.00 34.13 33.86 1x6h s GLU 13 CO 0.00 -0.83 0.28 0.15 -0.54 0.00 0.00 175.26 174.32 1x6h s LYS 14 N 2.47 0.19 0.18 4.30 3.01 -1.26 -4.81 119.74 123.82 1x6h s LYS 14 Ca 0.10 0.73 -0.06 0.00 -1.01 0.00 0.00 55.97 55.73 1x6h s LYS 14 Cb -0.14 -0.02 0.07 0.00 -1.01 0.00 0.00 37.83 36.73 1x6h s LYS 14 CO -0.23 -0.25 1.52 -1.00 0.51 0.00 0.00 175.35 175.91 1x6h h PRO 15 N 7.98 0.76 -6.10 -1.68 0.13 -1.85 -3.41 132.00 127.83 1x6h h PRO 15 Ca -0.21 -0.40 -0.50 0.00 -0.87 0.00 0.00 66.00 64.01 1x6h h PRO 15 Cb 1.13 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1x6h h PRO 15 CO 0.19 1.03 1.22 0.71 -0.23 0.00 0.00 178.00 180.92 1x6h s TYR 16 N -4.30 1.92 -0.29 1.56 1.51 -1.20 -4.95 117.35 111.59 1x6h s TYR 16 Ca -0.09 0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 56.36 1x6h s TYR 16 Cb 0.12 -4.30 0.04 0.00 -0.11 0.00 0.00 41.96 37.71 1x6h s TYR 16 CO 0.86 -2.18 0.01 0.00 -1.11 0.00 0.00 175.55 173.12 1x6h s ALA 17 N 7.83 2.84 0.24 3.71 0.00 -1.26 0.10 121.76 135.21 1x6h s ALA 17 Ca 0.55 -1.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1x6h s ALA 17 Cb -0.10 -1.94 -0.15 0.00 0.00 0.00 0.00 23.12 20.92 1x6h s ALA 17 CO 0.16 -1.17 0.88 0.00 0.00 0.00 0.00 175.76 175.64 1x6h h SER 19 N 1.91 0.40 -0.63 0.00 0.02 -1.98 -3.35 113.55 109.92 1x6h h SER 19 Ca -0.37 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 59.73 1x6h h SER 19 Cb 1.37 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 1x6h h SER 19 CO 0.61 1.47 0.35 0.45 -1.14 0.00 0.00 176.83 178.58 1x6h h HIS 20 N -0.39 0.65 -5.04 3.45 3.86 -1.98 -3.44 115.15 112.26 1x6h h HIS 20 Ca -0.21 0.02 -0.64 0.00 -1.16 0.00 0.00 60.37 58.38 1x6h h HIS 20 Cb 1.66 -0.20 -0.13 0.00 1.06 0.00 0.00 27.41 29.80 1x6h h HIS 20 CO 0.17 0.33 -0.48 0.00 0.86 0.00 0.00 177.93 178.80 1x6h n ASP 22 N -1.36 7.50 -4.56 0.00 9.92 -1.26 -4.37 116.55 122.41 1x6h n ASP 22 Ca -0.17 -3.81 -0.31 0.00 -0.53 0.00 0.00 54.79 49.97 1x6h n ASP 22 Cb 0.64 -1.08 -0.10 0.00 -0.64 0.00 0.00 41.12 39.93 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 -4.02 2.26 0.21 -1.24 -0.14 -1.26 -4.98 119.74 110.58 1x6h s LYS 23 Ca 0.51 -0.92 0.09 0.00 -1.36 0.00 0.00 55.97 54.30 1x6h s LYS 23 Cb 0.42 -2.35 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1x6h s LYS 23 CO -0.39 0.54 -0.17 0.95 -0.76 0.00 0.00 175.35 175.52 1x6h s THR 24 N -1.10 1.95 -0.03 2.17 -4.23 -1.26 0.73 115.64 113.87 1x6h s THR 24 Ca 0.19 -2.19 -0.14 0.00 -1.18 0.00 0.00 61.69 58.36 1x6h s THR 24 Cb -0.11 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1x6h s THR 24 CO 0.10 -0.48 0.31 -0.36 -0.54 0.00 0.00 174.62 173.66 1x6h s PHE 25 N -2.63 -0.20 0.02 3.99 0.40 0.12 -4.97 117.98 114.71 1x6h s PHE 25 Ca 0.23 0.33 -0.27 0.00 -0.60 0.00 0.00 56.93 56.62 1x6h s PHE 25 Cb -0.03 0.10 -0.16 0.00 0.51 0.00 0.00 43.02 43.44 1x6h s PHE 25 CO 0.09 -0.37 1.23 0.07 0.70 0.00 0.00 175.22 176.94 1x6h h ARG 26 N 4.05 -0.69 -5.85 0.44 0.11 -1.87 -3.18 114.38 107.40 1x6h h ARG 26 Ca -0.29 0.05 -0.67 0.00 0.10 0.00 0.00 59.98 59.16 1x6h h ARG 26 Cb 1.18 0.16 -0.11 0.00 1.11 0.00 0.00 29.97 32.30 1x6h h ARG 26 CO 0.39 -0.38 -0.56 -0.65 0.10 0.00 0.00 179.97 178.87 1x6h s GLN 27 N -4.85 3.17 0.34 0.08 -0.21 -1.26 -4.68 119.66 112.26 1x6h s GLN 27 Ca -0.14 -0.31 0.11 0.00 0.02 0.00 0.00 55.36 55.04 1x6h s GLN 27 Cb 0.02 -2.96 0.92 0.00 1.00 0.00 0.00 33.01 31.99 1x6h s GLN 27 CO 0.50 0.73 1.75 -0.22 -2.12 0.00 0.00 175.29 175.93 1x6h h LYS 28 N 4.97 0.55 -0.63 2.91 1.63 -1.97 -0.74 116.57 123.30 1x6h h LYS 28 Ca -0.52 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.37 1x6h h LYS 28 Cb 1.21 -0.12 -0.12 0.00 -0.60 0.00 0.00 32.23 32.59 1x6h h LYS 28 CO 0.57 0.36 -0.20 0.37 -3.45 0.00 0.00 179.45 177.10 1x6h h GLN 29 N 0.57 -0.04 -0.02 1.90 -0.00 -1.98 0.49 115.11 116.02 1x6h h GLN 29 Ca 0.61 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 59.29 1x6h h GLN 29 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.70 1x6h h GLN 29 CO -0.40 -0.03 -0.10 -0.07 0.00 0.00 0.00 178.83 178.24 1x6h h LEU 30 N -0.04 -0.29 -2.03 -2.39 -0.00 -1.54 0.95 115.31 109.97 1x6h h LEU 30 Ca 0.29 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.20 1x6h h LEU 30 Cb 0.50 0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1x6h h LEU 30 CO -0.67 -0.14 -0.09 0.25 -0.00 0.00 0.00 178.44 177.79 1x6h h LEU 31 N -0.16 0.00 -0.00 1.67 5.85 -1.12 0.96 115.31 122.50 1x6h h LEU 31 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1x6h h LEU 31 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1x6h h LEU 31 CO -0.12 0.09 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.28 1x6h h ASP 32 N 0.00 0.02 0.62 1.25 3.58 0.11 -3.05 116.42 118.95 1x6h h ASP 32 Ca -0.00 -0.75 -0.08 0.00 0.42 0.00 0.00 57.03 56.62 1x6h h ASP 32 Cb 0.22 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1x6h h ASP 32 CO 0.01 0.77 -0.37 0.00 -2.88 0.00 0.00 179.24 176.77 1x6h h MET 33 N -0.73 0.00 -0.63 0.28 -0.00 -0.60 -2.94 114.93 110.31 1x6h h MET 33 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1x6h h MET 33 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.35 1x6h h MET 33 CO 0.00 0.37 0.14 1.25 -0.00 0.00 0.00 176.91 178.67 1x6h h HIS 34 N 0.00 1.08 0.45 -0.10 -0.00 -0.87 -0.61 115.15 115.09 1x6h h HIS 34 Ca -0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.21 1x6h h HIS 34 Cb 0.78 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1x6h h HIS 34 CO 0.00 0.91 -0.22 0.35 -0.00 0.00 0.00 177.93 178.97 1x6h h PHE 35 N 0.94 -0.56 0.00 5.26 3.04 -1.41 0.18 116.94 124.39 1x6h h PHE 35 Ca 0.20 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1x6h h PHE 35 Cb 0.38 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1x6h h PHE 35 CO 0.03 -0.24 0.00 1.63 -2.02 0.00 0.00 178.31 177.71 1x6h n LYS 36 N -5.21 0.06 -0.06 1.11 4.76 -1.12 -1.41 118.16 116.28 1x6h n LYS 36 Ca -0.10 0.28 -0.06 0.00 -2.87 0.00 0.00 58.31 55.57 1x6h n LYS 36 Cb 0.30 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 1x6h n LYS 36 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1x6h n ARG 37 N -1.37 0.38 0.03 1.97 0.63 -0.24 -1.94 116.66 116.12 1x6h n ARG 37 Ca 0.03 0.25 -0.02 0.00 -0.92 0.00 0.00 57.85 57.19 1x6h n ARG 37 Cb 0.07 -1.28 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 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 -0.76 -0.10 0.00 -0.14 -1.99 -0.61 -3.25 116.97 110.12 1x6h h TYR 38 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1x6h h TYR 38 Cb 0.65 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.41 1x6h h TYR 38 CO -0.28 -0.06 0.14 0.72 -0.00 0.00 0.00 178.16 178.68 1x6h n HIS 39 N -2.83 0.47 -3.58 4.88 8.25 -0.50 -4.14 115.22 117.78 1x6h n HIS 39 Ca -0.01 0.25 -0.18 0.00 -0.26 0.00 0.00 57.72 57.52 1x6h n HIS 39 Cb 0.04 -0.79 -0.14 0.00 1.12 0.00 0.00 29.99 30.22 1x6h n HIS 39 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1x6h s ASP 40 N -3.54 1.11 0.00 0.41 2.15 -0.89 -4.97 116.67 110.94 1x6h s ASP 40 Ca -0.02 0.04 0.09 0.00 0.43 0.00 0.00 52.55 53.10 1x6h s ASP 40 Cb 0.04 0.34 0.56 0.00 -0.30 0.00 0.00 42.92 43.56 1x6h s ASP 40 CO 0.13 -0.29 1.00 -0.81 -0.17 0.00 0.00 175.17 175.03 1x6h n PRO 41 N 5.32 0.49 0.15 4.34 -0.04 -1.23 -3.15 135.00 140.89 1x6h n PRO 41 Ca -0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1x6h n PRO 41 Cb 0.50 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.91 3.54 4.21 -1.82 -3.45 115.58 113.78 1x6h h ASN 42 Ca 0.00 0.01 -0.54 0.00 1.21 0.00 0.00 56.30 56.98 1x6h h ASN 42 Cb 0.00 0.10 0.11 0.00 -1.12 0.00 0.00 38.32 37.41 1x6h h ASN 42 CO 0.00 -0.08 0.75 0.33 -1.29 0.00 0.00 177.43 177.14 1x6h n PHE 43 N -4.19 2.92 -3.54 1.19 -0.00 -0.82 -5.01 117.46 108.01 1x6h n PHE 43 Ca -0.05 0.45 -0.08 0.00 -0.00 0.00 0.00 57.45 57.76 1x6h n PHE 43 Cb 0.17 -2.52 -0.09 0.00 -0.00 0.00 0.00 39.48 37.05 1x6h n PHE 43 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1x6h s VAL 44 N -1.13 -0.65 0.32 -2.13 0.11 -1.26 -4.60 120.40 111.05 1x6h s VAL 44 Ca 0.55 0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.39 1x6h s VAL 44 Cb -0.47 -0.73 -0.10 0.00 -1.53 0.00 0.00 36.38 33.55 1x6h s VAL 44 CO 0.63 0.00 1.22 -2.16 -3.33 0.00 0.00 175.10 171.46 1x6h s PRO 45 N 2.60 4.45 -0.43 1.54 0.04 -1.26 -4.96 135.00 136.98 1x6h s PRO 45 Ca 0.04 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1x6h s PRO 45 Cb -0.13 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1x6h s PRO 45 CO -0.14 -0.05 1.46 0.00 0.04 0.00 0.00 177.00 178.31 1x6h s ALA 46 N -1.16 2.97 -0.35 8.56 0.00 -1.26 -4.97 121.76 125.54 1x6h s ALA 46 Ca 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1x6h s ALA 46 Cb -0.37 -3.98 0.08 0.00 0.00 0.00 0.00 23.12 18.85 1x6h s ALA 46 CO 0.48 -2.54 0.09 0.00 0.00 0.00 0.00 175.76 173.79 1x6h s ALA 47 N 5.76 2.97 -0.32 0.00 0.00 -1.26 -4.66 121.76 124.24 1x6h s ALA 47 Ca 0.62 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1x6h s ALA 47 Cb -0.14 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 20.94 1x6h s ALA 47 CO 0.31 -1.53 0.10 -0.06 0.00 0.00 0.00 175.76 174.58 1x6h s PHE 48 N 1.17 2.08 -0.09 0.00 0.40 -1.23 -5.04 117.98 115.27 1x6h s PHE 48 Ca 0.02 -2.00 -0.13 0.00 -0.60 0.00 0.00 56.93 54.22 1x6h s PHE 48 Cb -0.21 -1.93 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 1x6h s PHE 48 CO -0.03 -0.88 0.31 0.08 0.70 0.00 0.00 175.22 175.40 1x6h s VAL 49 N 1.40 5.24 1.03 -0.44 1.01 -1.26 -1.66 120.40 125.72 1x6h s VAL 49 Ca 0.11 0.60 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 1x6h s VAL 49 Cb -0.18 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.68 1x6h s VAL 49 CO -0.21 0.51 -0.01 0.00 0.00 0.00 0.00 175.10 175.39 1x6h n SER 51 N -0.74 0.02 -0.09 0.00 2.88 -1.26 -4.34 113.62 110.09 1x6h n SER 51 Ca 0.03 -0.33 -0.23 0.00 -1.33 0.00 0.00 58.87 57.01 1x6h n SER 51 Cb 0.48 0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 64.42 1x6h n SER 51 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x6h n LYS 52 N -0.60 0.64 -0.07 -1.46 5.02 -1.26 -4.79 118.16 115.64 1x6h n LYS 52 Ca 0.00 0.34 -0.14 0.00 -2.02 0.00 0.00 58.31 56.49 1x6h n LYS 52 Cb 0.00 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 1x6h n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6h n GLY 54 N 2.26 1.03 3.91 0.00 0.00 -1.26 -4.46 105.19 106.66 1x6h n GLY 54 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.01 3.62 -0.08 1.61 2.20 -1.26 -4.76 119.74 121.05 1x6h s LYS 55 Ca 0.00 -0.08 -0.15 0.00 -0.36 0.00 0.00 55.97 55.37 1x6h s LYS 55 Cb 0.00 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 1x6h s LYS 55 CO 0.00 0.33 0.39 0.95 -0.36 0.00 0.00 175.35 176.67 1x6h s THR 56 N -1.90 5.16 0.25 3.43 -4.23 -1.26 0.07 115.64 117.16 1x6h s THR 56 Ca 0.42 0.79 0.08 0.00 -1.18 0.00 0.00 61.69 61.79 1x6h s THR 56 Cb -0.11 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1x6h s THR 56 CO 0.28 0.45 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.34 1x6h s PHE 57 N -0.13 1.90 -0.15 3.99 0.40 -0.67 -4.98 117.98 118.34 1x6h s PHE 57 Ca 0.22 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1x6h s PHE 57 Cb -0.15 -0.98 -0.23 0.00 0.51 0.00 0.00 43.02 42.17 1x6h s PHE 57 CO 0.10 0.36 0.22 0.25 0.70 0.00 0.00 175.22 176.85 1x6h n THR 58 N -0.51 1.65 -4.28 0.64 -2.24 -1.26 -3.51 114.28 104.77 1x6h n THR 58 Ca -0.06 -0.67 -0.27 0.00 -2.27 0.00 0.00 64.05 60.78 1x6h n THR 58 Cb 0.62 -1.46 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 1x6h n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6h s ARG 59 N -2.55 2.09 -0.01 -0.78 0.52 -1.26 -4.67 118.95 112.29 1x6h s ARG 59 Ca -0.23 -1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 53.55 1x6h s ARG 59 Cb 0.07 -2.18 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 1x6h s ARG 59 CO 0.73 0.44 0.78 -0.09 0.02 0.00 0.00 175.30 177.18 1x6h h ARG 60 N 2.87 -0.60 -0.67 3.54 1.12 -1.93 -2.99 114.38 115.73 1x6h h ARG 60 Ca -0.47 0.04 0.11 0.00 -1.11 0.00 0.00 59.98 58.56 1x6h h ARG 60 Cb 1.21 0.14 -0.12 0.00 -0.01 0.00 0.00 29.97 31.18 1x6h h ARG 60 CO 0.55 -0.40 -0.36 -2.95 -3.11 0.00 0.00 179.97 173.69 1x6h h ASN 61 N -1.04 -1.27 -0.64 -3.80 7.08 -1.98 0.19 115.58 114.11 1x6h h ASN 61 Ca -0.06 0.25 0.13 0.00 -3.08 0.00 0.00 56.30 53.54 1x6h h ASN 61 Cb 0.48 0.63 -0.12 0.00 -2.08 0.00 0.00 38.32 37.23 1x6h h ASN 61 CO 0.10 -0.31 -0.10 0.74 -2.08 0.00 0.00 177.43 175.78 1x6h h THR 62 N -0.14 0.39 0.29 6.14 2.02 -2.00 0.10 112.91 119.71 1x6h h THR 62 Ca 0.25 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1x6h h THR 62 Cb 0.56 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1x6h h THR 62 CO -0.74 0.01 -0.14 -0.03 0.37 0.00 0.00 175.52 174.99 1x6h h MET 63 N 0.03 -0.37 -0.50 6.66 1.85 -0.75 -1.59 114.93 120.26 1x6h h MET 63 Ca 0.32 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.53 1x6h h MET 63 Cb 0.51 0.08 -0.10 0.00 0.43 0.00 0.00 31.60 32.52 1x6h h MET 63 CO -0.62 -0.11 -0.23 0.00 -0.40 0.00 0.00 176.91 175.55 1x6h h ALA 64 N 0.04 0.13 -0.26 0.39 0.00 0.06 -1.08 119.26 118.54 1x6h h ALA 64 Ca -0.04 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1x6h h ALA 64 Cb 0.43 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1x6h h ALA 64 CO 0.06 -0.56 0.15 0.00 0.00 0.00 0.00 179.25 178.90 1x6h h ARG 65 N -0.11 0.30 -0.79 0.00 3.08 -0.81 -2.58 114.38 113.47 1x6h h ARG 65 Ca 0.23 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.45 1x6h h ARG 65 Cb 0.48 -0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.34 1x6h h ARG 65 CO -0.57 0.20 0.22 1.25 -1.07 0.00 0.00 179.97 179.99 1x6h h HIS 66 N 0.31 0.34 -0.71 3.04 2.76 -0.19 0.02 115.15 120.72 1x6h h HIS 66 Ca 0.10 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.47 1x6h h HIS 66 Cb 0.00 -0.03 -0.12 0.00 1.55 0.00 0.00 27.41 28.82 1x6h h HIS 66 CO -0.08 -0.10 0.03 0.00 -1.30 0.00 0.00 177.93 176.48 1x6h h ALA 67 N 1.66 0.76 -0.73 5.26 0.00 -0.92 0.91 119.26 126.19 1x6h h ALA 67 Ca 0.46 0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.74 1x6h h ALA 67 Cb 0.83 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1x6h h ALA 67 CO -0.54 -0.40 0.17 -0.44 0.00 0.00 0.00 179.25 178.04 1x6h h ASP 68 N 0.13 0.00 -0.13 0.00 3.32 -1.03 0.31 116.42 119.04 1x6h h ASP 68 Ca 0.38 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1x6h h ASP 68 Cb 0.66 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1x6h h ASP 68 CO -0.59 -0.04 0.00 0.59 -1.72 0.00 0.00 179.24 177.47 1x6h n ASN 69 N -5.16 2.35 -4.75 6.45 3.02 0.16 -4.92 115.26 112.40 1x6h n ASN 69 Ca 0.14 -1.79 -0.40 0.00 -0.03 0.00 0.00 54.58 52.50 1x6h n ASN 69 Cb 0.46 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 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 1.48 4.79 -0.40 0.00 0.00 -1.26 -4.93 120.51 120.19 1x6h n ALA 71 Ca -0.02 -3.89 0.01 0.00 0.00 0.00 0.00 53.44 49.55 1x6h n ALA 71 Cb 0.47 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.58 -1.77 3.56 0.00 0.00 -1.26 -4.52 105.19 100.62 1x6h n GLY 72 Ca 0.38 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.30 2.55 0.01 1.61 0.04 -1.24 -4.43 135.00 133.24 1x6h s PRO 73 Ca 0.00 -0.44 -0.25 0.00 0.04 0.00 0.00 61.00 60.35 1x6h s PRO 73 Cb 0.00 -5.09 -0.15 0.00 0.04 0.00 0.00 34.50 29.30 1x6h s PRO 73 CO 0.00 -3.48 1.12 0.22 0.04 0.00 0.00 177.00 174.90 1x6h h ASP 74 N 11.03 -0.65 0.00 6.66 1.82 -1.95 -3.50 116.42 129.83 1x6h h ASP 74 Ca 0.12 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1x6h h ASP 74 Cb 0.99 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1x6h h ASP 74 CO 1.21 -0.27 0.00 0.61 -1.61 0.00 0.00 179.24 179.18 1x6h n GLY 75 N -0.49 2.33 3.64 -0.78 0.00 -1.26 -5.16 105.19 103.47 1x6h n GLY 75 Ca -0.11 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 1x6h n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6h s VAL 76 N 0.00 0.00 0.24 1.61 0.11 -1.26 -5.03 120.40 116.06 1x6h s VAL 76 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1x6h s VAL 76 Cb 0.00 -1.00 0.33 0.00 -1.53 0.00 0.00 36.38 34.18 1x6h s VAL 76 CO 0.00 0.00 1.20 1.21 -3.33 0.00 0.00 175.10 174.18 1x6h n GLU 77 N 3.27 -0.06 -0.41 1.54 4.07 -1.26 -4.87 120.64 122.92 1x6h n GLU 77 Ca -0.17 1.16 0.00 0.00 -0.06 0.00 0.00 57.16 58.09 1x6h n GLU 77 Cb 0.57 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 1x6h n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x6h n GLY 78 N -1.40 -0.60 3.27 8.31 0.00 -1.26 -5.09 105.19 108.42 1x6h n GLY 78 Ca 0.17 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1x6h n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6h s GLU 79 N -0.90 3.07 0.34 1.61 2.12 -1.26 -5.11 118.70 118.57 1x6h s GLU 79 Ca 0.00 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.23 1x6h s GLU 79 Cb 0.00 -2.38 -0.09 0.00 0.26 0.00 0.00 34.13 31.92 1x6h s GLU 79 CO 0.00 0.22 1.16 1.21 -0.54 0.00 0.00 175.26 177.32 1x6h s ASN 80 N 0.26 6.85 -0.41 -1.70 2.47 -1.26 -5.01 114.94 116.14 1x6h s ASN 80 Ca -0.14 2.36 -0.05 0.00 0.42 0.00 0.00 52.86 55.45 1x6h s ASN 80 Cb -0.17 -2.62 0.10 0.00 -1.45 0.00 0.00 41.25 37.11 1x6h s ASN 80 CO 0.07 -0.45 0.21 -0.44 -3.72 0.00 0.00 177.10 172.78 1x6h s SER 81 N -0.96 5.37 0.49 -4.21 0.01 -1.26 -5.08 113.70 108.06 1x6h s SER 81 Ca 0.51 -1.79 -0.20 0.00 1.31 0.00 0.00 55.95 55.78 1x6h s SER 81 Cb -0.32 -1.88 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 1x6h s SER 81 CO 0.41 -0.53 0.41 0.61 0.41 0.00 0.00 173.24 174.56 1x6h n GLY 82 N 4.72 -1.83 3.77 3.44 0.00 -1.26 -4.91 105.19 109.13 1x6h n GLY 82 Ca -0.06 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1x6h n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6h s PRO 83 N -1.64 3.38 -0.30 1.61 0.04 -1.26 -5.05 135.00 131.78 1x6h s PRO 83 Ca 0.64 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 1x6h s PRO 83 Cb -0.53 -2.03 0.17 0.00 0.04 0.00 0.00 34.50 32.15 1x6h s PRO 83 CO 0.58 -0.83 0.74 -1.12 0.04 0.00 0.00 177.00 176.41 1x6h s SER 84 N -1.74 -1.06 -1.38 6.66 0.01 -1.26 -4.95 113.70 109.99 1x6h s SER 84 Ca 0.72 0.96 -0.08 0.00 1.31 0.00 0.00 55.95 58.86 1x6h s SER 84 Cb -0.24 2.01 0.03 0.00 0.21 0.00 0.00 66.02 68.02 1x6h s SER 84 CO 0.28 -0.20 1.06 -0.24 0.41 0.00 0.00 173.24 174.54 1x6h n SER 85 N 5.37 -4.81 0.00 2.44 2.88 -1.26 -5.31 113.62 112.93 1x6h n SER 85 Ca -0.06 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 1x6h n SER 85 Cb 0.51 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.34 1x6h n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42