#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 -0.77 0.07 1.61 1.04 -1.26 -5.18 113.70 109.22 1x6h s SER 2 Ca 0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 1x6h s SER 2 Cb 0.00 1.71 -0.04 0.00 0.10 0.00 0.00 66.02 67.79 1x6h s SER 2 CO 0.00 -0.15 -0.05 -0.55 0.98 0.00 0.00 173.24 173.47 1x6h s SER 3 N 2.80 0.83 -0.23 7.02 0.15 -1.26 -5.14 113.70 117.88 1x6h s SER 3 Ca 0.04 -0.97 -0.03 0.00 0.70 0.00 0.00 55.95 55.70 1x6h s SER 3 Cb -0.11 0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.41 1x6h s SER 3 CO -0.16 -0.50 0.06 -0.83 1.20 0.00 0.00 173.24 173.01 1x6h s GLY 4 N -2.88 0.75 -0.55 9.45 0.00 -1.26 -5.07 107.32 107.76 1x6h s GLY 4 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.92 1x6h s GLY 4 CO -0.07 1.53 0.33 -1.35 0.00 0.00 0.00 173.10 173.54 1x6h s SER 5 N 1.84 4.20 0.30 1.64 1.04 -1.26 -5.07 113.70 116.39 1x6h s SER 5 Ca 0.02 -3.18 -0.16 0.00 0.48 0.00 0.00 55.95 53.10 1x6h s SER 5 Cb -0.17 -1.47 0.02 0.00 0.10 0.00 0.00 66.02 64.50 1x6h s SER 5 CO -0.14 -0.19 0.66 -0.94 0.98 0.00 0.00 173.24 173.60 1x6h s SER 6 N -0.48 -0.08 0.51 7.02 1.04 -1.26 -5.17 113.70 115.28 1x6h s SER 6 Ca 0.20 -0.87 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 1x6h s SER 6 Cb -0.18 0.71 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 1x6h s SER 6 CO -0.06 -1.37 0.95 -0.83 0.98 0.00 0.00 173.24 172.92 1x6h s GLY 7 N -3.00 1.99 0.18 7.32 0.00 -1.26 -4.97 107.32 107.59 1x6h s GLY 7 Ca 0.16 0.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.77 1x6h s GLY 7 CO 0.09 0.34 1.61 3.21 0.00 0.00 0.00 173.10 178.36 1x6h h ARG 8 N 0.82 -0.14 -6.80 2.90 3.08 -2.03 -3.42 114.38 108.80 1x6h h ARG 8 Ca -0.47 0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.05 1x6h h ARG 8 Cb 1.19 0.03 0.20 0.00 0.08 0.00 0.00 29.97 31.47 1x6h h ARG 8 CO 0.62 -0.09 -0.43 0.25 -1.07 0.00 0.00 179.97 179.25 1x6h n THR 9 N -5.42 0.64 -4.52 2.04 -2.24 -1.26 -5.03 114.28 98.49 1x6h n THR 9 Ca 0.04 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 1x6h n THR 9 Cb 0.33 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.74 1x6h n THR 9 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1x6h s HIS 10 N -2.25 2.22 0.07 4.78 3.76 -1.26 -5.11 115.29 117.49 1x6h s HIS 10 Ca 0.61 -0.77 -0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1x6h s HIS 10 Cb -0.25 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1x6h s HIS 10 CO 0.63 0.27 -0.03 -0.08 -0.85 0.00 0.00 174.74 174.68 1x6h s THR 11 N -2.97 0.34 0.00 1.30 -1.32 -1.26 -5.12 115.64 106.61 1x6h s THR 11 Ca 0.35 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1x6h s THR 11 Cb 0.08 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.48 1x6h s THR 11 CO 0.16 -0.94 0.00 0.61 -2.21 0.00 0.00 174.62 172.24 1x6h n GLY 12 N 0.06 -0.30 3.06 6.08 0.00 -1.26 -5.06 105.19 107.77 1x6h n GLY 12 Ca -0.13 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 1x6h n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6h s GLU 13 N 0.00 0.52 -0.44 1.61 -1.05 -1.26 -5.12 118.70 112.97 1x6h s GLU 13 Ca 0.00 -0.80 -0.07 0.00 -0.15 0.00 0.00 54.97 53.95 1x6h s GLU 13 Cb 0.00 -0.21 0.11 0.00 -0.44 0.00 0.00 34.13 33.59 1x6h s GLU 13 CO 0.00 0.02 0.27 0.15 0.95 0.00 0.00 175.26 176.65 1x6h s LYS 14 N -1.84 2.32 0.30 -4.83 1.02 -1.26 -4.80 119.74 110.66 1x6h s LYS 14 Ca -0.08 -1.72 0.09 0.00 0.02 0.00 0.00 55.97 54.27 1x6h s LYS 14 Cb -0.08 -3.76 0.48 0.00 -0.52 0.00 0.00 37.83 33.95 1x6h s LYS 14 CO -0.01 -1.10 1.70 -1.00 -0.92 0.00 0.00 175.35 174.03 1x6h h PRO 15 N 8.28 0.11 -6.17 -1.68 0.13 -1.84 -3.41 132.00 127.42 1x6h h PRO 15 Ca -0.18 -0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.37 1x6h h PRO 15 Cb 1.06 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 1x6h h PRO 15 CO 0.78 0.56 1.19 0.71 -0.23 0.00 0.00 178.00 181.01 1x6h s TYR 16 N -3.98 2.03 -0.27 1.56 1.51 -1.17 -4.95 117.35 112.07 1x6h s TYR 16 Ca -0.03 0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 56.24 1x6h s TYR 16 Cb 0.13 -4.40 0.01 0.00 -0.11 0.00 0.00 41.96 37.59 1x6h s TYR 16 CO 0.76 -2.15 0.04 0.00 -1.11 0.00 0.00 175.55 173.09 1x6h s ALA 17 N 7.20 2.98 0.53 3.71 0.00 -1.26 -0.65 121.76 134.27 1x6h s ALA 17 Ca 0.50 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 1x6h s ALA 17 Cb -0.09 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.95 1x6h s ALA 17 CO 0.15 -0.82 1.01 0.00 0.00 0.00 0.00 175.76 176.10 1x6h h SER 19 N 0.97 0.00 -0.96 0.00 0.02 -1.98 -3.36 113.55 108.24 1x6h h SER 19 Ca -0.47 -0.43 0.22 0.00 -0.84 0.00 0.00 61.79 60.26 1x6h h SER 19 Cb 1.35 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.77 1x6h h SER 19 CO 0.53 0.90 0.53 0.45 -1.14 0.00 0.00 176.83 178.10 1x6h h HIS 20 N -1.00 0.90 -4.94 3.45 3.86 -2.00 -3.43 115.15 112.00 1x6h h HIS 20 Ca -0.07 0.04 -0.59 0.00 -1.16 0.00 0.00 60.37 58.59 1x6h h HIS 20 Cb 0.67 -0.25 -0.12 0.00 1.06 0.00 0.00 27.41 28.77 1x6h h HIS 20 CO 0.08 0.08 -0.45 0.00 0.86 0.00 0.00 177.93 178.50 1x6h n ASP 22 N -1.38 4.30 -4.90 0.00 2.03 -1.26 -4.34 116.55 110.99 1x6h n ASP 22 Ca -0.15 -3.68 -0.28 0.00 0.52 0.00 0.00 54.79 51.20 1x6h n ASP 22 Cb 0.60 -0.82 -0.01 0.00 -0.72 0.00 0.00 41.12 40.17 1x6h n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x6h s LYS 23 N -3.40 3.62 0.10 -0.67 -0.14 -1.26 -4.92 119.74 113.07 1x6h s LYS 23 Ca 0.56 0.25 0.02 0.00 -1.36 0.00 0.00 55.97 55.45 1x6h s LYS 23 Cb 0.47 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 34.17 1x6h s LYS 23 CO 0.07 -0.11 -0.08 0.95 -0.76 0.00 0.00 175.35 175.42 1x6h s THR 24 N -2.56 0.78 0.11 2.17 -4.23 -1.26 -0.82 115.64 109.83 1x6h s THR 24 Ca 0.48 -1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1x6h s THR 24 Cb -0.10 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 72.20 1x6h s THR 24 CO 0.39 -0.76 0.30 -0.36 -0.54 0.00 0.00 174.62 173.64 1x6h s PHE 25 N -3.20 -0.00 -0.07 3.99 0.40 0.18 -4.98 117.98 114.30 1x6h s PHE 25 Ca 0.09 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 1x6h s PHE 25 Cb 0.02 0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.59 1x6h s PHE 25 CO -0.03 -0.63 0.33 -0.09 0.70 0.00 0.00 175.22 175.50 1x6h h ARG 26 N 2.56 -0.21 -5.73 0.44 2.43 -1.87 -3.10 114.38 108.90 1x6h h ARG 26 Ca -0.34 0.01 -0.66 0.00 -0.81 0.00 0.00 59.98 58.18 1x6h h ARG 26 Cb 1.23 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.75 1x6h h ARG 26 CO 0.51 -0.07 -0.50 -0.65 -1.51 0.00 0.00 179.97 177.75 1x6h s GLN 27 N -2.38 3.37 0.32 0.20 -0.21 -1.26 -4.67 119.66 115.03 1x6h s GLN 27 Ca -0.05 -0.22 0.09 0.00 0.02 0.00 0.00 55.36 55.21 1x6h s GLN 27 Cb 0.00 -3.11 0.87 0.00 1.00 0.00 0.00 33.01 31.78 1x6h s GLN 27 CO 0.16 0.74 1.74 -0.22 -2.12 0.00 0.00 175.29 175.59 1x6h h LYS 28 N 4.73 0.59 -0.73 2.91 3.64 -1.97 -0.13 116.57 125.60 1x6h h LYS 28 Ca -0.53 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1x6h h LYS 28 Cb 1.21 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.78 1x6h h LYS 28 CO 0.60 0.39 -0.01 0.37 -2.27 0.00 0.00 179.45 178.52 1x6h h GLN 29 N 0.60 0.09 0.21 1.90 4.15 -1.98 0.55 115.11 120.64 1x6h h GLN 29 Ca 0.64 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 60.05 1x6h h GLN 29 Cb 1.19 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1x6h h GLN 29 CO -0.46 0.06 -0.15 -0.07 -1.93 0.00 0.00 178.83 176.28 1x6h h LEU 30 N 0.10 -0.38 -2.09 -2.39 -0.00 -1.43 0.20 115.31 109.31 1x6h h LEU 30 Ca 0.39 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.28 1x6h h LEU 30 Cb 0.67 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1x6h h LEU 30 CO -0.65 -0.24 -0.08 0.25 -0.00 0.00 0.00 178.44 177.73 1x6h h LEU 31 N -0.36 0.00 0.02 1.67 5.85 -1.13 0.11 115.31 121.47 1x6h h LEU 31 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1x6h h LEU 31 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1x6h h LEU 31 CO -0.00 0.08 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.25 1x6h h ASP 32 N 0.00 0.10 0.82 1.25 1.82 0.90 -3.13 116.42 118.18 1x6h h ASP 32 Ca -0.00 -0.89 -0.08 0.00 -0.39 0.00 0.00 57.03 55.67 1x6h h ASP 32 Cb 0.26 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1x6h h ASP 32 CO 0.01 0.98 -0.36 0.00 -1.61 0.00 0.00 179.24 178.26 1x6h h MET 33 N -0.76 0.00 -0.27 0.28 -0.00 -0.40 -3.03 114.93 110.74 1x6h h MET 33 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 1x6h h MET 33 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.61 1x6h h MET 33 CO 0.03 0.36 0.05 1.25 -0.00 0.00 0.00 176.91 178.61 1x6h h HIS 34 N 0.00 0.47 0.51 -0.10 -0.00 -0.86 -1.11 115.15 114.07 1x6h h HIS 34 Ca -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1x6h h HIS 34 Cb 0.87 -0.13 0.01 0.00 -0.00 0.00 0.00 27.41 28.16 1x6h h HIS 34 CO 0.00 0.54 -0.25 0.35 -0.00 0.00 0.00 177.93 178.57 1x6h h PHE 35 N 0.27 -0.64 0.00 5.26 3.04 -1.50 0.21 116.94 123.58 1x6h h PHE 35 Ca 0.08 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1x6h h PHE 35 Cb 0.31 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1x6h h PHE 35 CO 0.02 -0.33 0.00 1.63 -2.02 0.00 0.00 178.31 177.60 1x6h n LYS 36 N -5.33 0.08 -0.07 1.11 5.02 -1.15 -1.33 118.16 116.49 1x6h n LYS 36 Ca -0.12 0.26 -0.06 0.00 -2.02 0.00 0.00 58.31 56.37 1x6h n LYS 36 Cb 0.31 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.33 0.40 0.04 1.97 0.63 -0.42 -1.64 116.66 116.30 1x6h n ARG 37 Ca 0.03 0.26 -0.02 0.00 -0.92 0.00 0.00 57.85 57.20 1x6h n ARG 37 Cb 0.06 -1.31 -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 -0.79 -0.12 0.00 -0.14 -1.99 -0.55 -3.26 116.97 110.12 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 0.67 0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1x6h h TYR 38 CO -0.29 -0.07 0.13 0.72 -0.00 0.00 0.00 178.16 178.64 1x6h n HIS 39 N -3.16 0.41 -3.62 4.88 8.25 -0.45 -4.20 115.22 117.33 1x6h n HIS 39 Ca -0.02 0.21 -0.15 0.00 -0.26 0.00 0.00 57.72 57.51 1x6h n HIS 39 Cb 0.05 -0.75 -0.13 0.00 1.12 0.00 0.00 29.99 30.28 1x6h n HIS 39 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x6h s ASP 40 N -3.45 0.61 0.00 0.41 1.01 -0.93 -4.97 116.67 109.36 1x6h s ASP 40 Ca -0.01 0.38 0.12 0.00 0.71 0.00 0.00 52.55 53.74 1x6h s ASP 40 Cb 0.03 0.59 0.72 0.00 1.01 0.00 0.00 42.92 45.27 1x6h s ASP 40 CO 0.11 -0.26 1.15 -0.81 0.21 0.00 0.00 175.17 175.57 1x6h n PRO 41 N 5.34 0.49 0.30 8.23 -0.04 -1.24 -3.14 135.00 144.95 1x6h n PRO 41 Ca -0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1x6h n PRO 41 Cb 0.50 -1.38 -0.06 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 -0.68 -3.03 3.54 2.35 -1.82 -3.43 115.58 112.51 1x6h h ASN 42 Ca 0.00 0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.24 1x6h h ASN 42 Cb 0.00 0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1x6h h ASN 42 CO 0.00 -0.31 0.71 0.12 -1.65 0.00 0.00 177.43 176.30 1x6h s PHE 43 N -4.20 3.20 -0.05 1.19 2.19 -0.65 -5.02 117.98 114.65 1x6h s PHE 43 Ca -0.12 1.01 -0.02 0.00 0.33 0.00 0.00 56.93 58.14 1x6h s PHE 43 Cb 0.01 -3.61 0.03 0.00 -1.31 0.00 0.00 43.02 38.14 1x6h s PHE 43 CO 0.35 -2.10 0.04 0.54 1.83 0.00 0.00 175.22 175.88 1x6h s VAL 44 N 1.40 0.04 0.32 3.12 0.11 -1.26 -4.36 120.40 119.77 1x6h s VAL 44 Ca 0.63 0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 59.72 1x6h s VAL 44 Cb -0.34 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.16 1x6h s VAL 44 CO 0.29 0.20 1.22 -2.16 -3.33 0.00 0.00 175.10 171.32 1x6h s PRO 45 N 2.03 4.40 -0.41 1.54 0.04 -1.26 -4.96 135.00 136.38 1x6h s PRO 45 Ca 0.04 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1x6h s PRO 45 Cb -0.12 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1x6h s PRO 45 CO -0.04 -0.08 1.42 0.00 0.04 0.00 0.00 177.00 178.35 1x6h s ALA 46 N -1.18 3.04 -0.29 8.56 0.00 -1.26 -4.98 121.76 125.65 1x6h s ALA 46 Ca 0.49 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1x6h s ALA 46 Cb -0.36 -3.94 0.07 0.00 0.00 0.00 0.00 23.12 18.89 1x6h s ALA 46 CO 0.47 -2.40 -0.05 0.00 0.00 0.00 0.00 175.76 173.78 1x6h s ALA 47 N 5.46 2.67 -0.26 0.00 0.00 -1.26 -4.67 121.76 123.69 1x6h s ALA 47 Ca 0.62 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1x6h s ALA 47 Cb -0.14 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.33 1x6h s ALA 47 CO 0.33 -1.38 -0.04 -0.06 0.00 0.00 0.00 175.76 174.60 1x6h s PHE 48 N 1.04 2.72 -0.06 0.00 0.40 -1.22 -5.04 117.98 115.83 1x6h s PHE 48 Ca -0.02 -2.04 -0.04 0.00 -0.60 0.00 0.00 56.93 54.23 1x6h s PHE 48 Cb -0.20 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1x6h s PHE 48 CO -0.06 -0.83 0.13 0.08 0.70 0.00 0.00 175.22 175.24 1x6h s VAL 49 N 1.28 5.20 0.29 -0.44 1.01 -1.26 -1.07 120.40 125.41 1x6h s VAL 49 Ca -0.04 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1x6h s VAL 49 Cb -0.19 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1x6h s VAL 49 CO -0.07 0.47 1.24 0.00 0.00 0.00 0.00 175.10 176.73 1x6h n SER 51 N 1.21 1.61 -0.08 0.00 7.64 -1.26 -2.66 113.62 120.09 1x6h n SER 51 Ca 0.01 -1.28 -0.07 0.00 1.01 0.00 0.00 58.87 58.54 1x6h n SER 51 Cb 0.43 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 1x6h n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x6h n LYS 52 N -0.17 0.47 -0.13 1.43 5.02 -1.26 -4.78 118.16 118.74 1x6h n LYS 52 Ca 0.12 0.47 -0.21 0.00 -2.02 0.00 0.00 58.31 56.68 1x6h n LYS 52 Cb 0.41 -1.65 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 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 2.04 1.97 3.93 0.00 0.00 -1.09 -4.32 105.19 107.72 1x6h n GLY 54 Ca -0.48 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.38 1.56 -0.01 1.61 2.20 -1.26 -4.69 119.74 118.77 1x6h s LYS 55 Ca 0.00 -0.33 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1x6h s LYS 55 Cb 0.00 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.27 1x6h s LYS 55 CO 0.00 -1.74 -0.25 0.95 -0.36 0.00 0.00 175.35 173.95 1x6h s THR 56 N -3.52 2.15 0.25 3.43 -4.23 -1.26 -0.42 115.64 112.04 1x6h s THR 56 Ca 0.66 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1x6h s THR 56 Cb -0.08 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 1x6h s THR 56 CO 0.48 0.55 0.10 -0.36 -0.54 0.00 0.00 174.62 174.85 1x6h s PHE 57 N -0.65 1.50 -0.22 3.99 0.40 -0.23 -4.98 117.98 117.79 1x6h s PHE 57 Ca 0.10 -1.19 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 1x6h s PHE 57 Cb -0.10 -0.87 -0.14 0.00 0.51 0.00 0.00 43.02 42.42 1x6h s PHE 57 CO -0.00 -0.36 -0.19 2.41 0.70 0.00 0.00 175.22 177.77 1x6h n THR 58 N -0.45 1.24 -4.91 0.64 -1.04 -1.26 -3.36 114.28 105.14 1x6h n THR 58 Ca 0.00 -0.47 -0.33 0.00 -2.04 0.00 0.00 64.05 61.21 1x6h n THR 58 Cb 0.66 -1.28 -0.14 0.00 -1.82 0.00 0.00 70.33 67.75 1x6h n THR 58 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x6h s ARG 59 N -2.43 2.72 0.03 -2.82 0.52 -1.26 -4.69 118.95 111.02 1x6h s ARG 59 Ca -0.29 -0.72 -0.15 0.00 -0.52 0.00 0.00 55.73 54.05 1x6h s ARG 59 Cb 0.08 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 33.05 1x6h s ARG 59 CO 0.50 0.49 1.23 -0.09 0.02 0.00 0.00 175.30 177.45 1x6h h ARG 60 N 5.76 -0.49 -0.76 3.54 2.43 -1.95 -1.92 114.38 120.99 1x6h h ARG 60 Ca -0.40 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.02 1x6h h ARG 60 Cb 1.17 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 30.69 1x6h h ARG 60 CO 0.51 -0.32 0.02 -1.71 -1.51 0.00 0.00 179.97 176.96 1x6h n ASN 61 N -3.52 -0.08 -0.20 -3.80 5.15 -1.26 0.23 115.26 111.78 1x6h n ASN 61 Ca -0.06 1.29 -0.08 0.00 -0.60 0.00 0.00 54.58 55.13 1x6h n ASN 61 Cb 0.21 -0.47 0.02 0.00 -0.53 0.00 0.00 39.78 39.00 1x6h n ASN 61 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1x6h h THR 62 N 0.00 1.23 0.17 -0.44 2.02 -1.94 -2.80 112.91 111.15 1x6h h THR 62 Ca 0.46 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1x6h h THR 62 Cb 0.97 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1x6h h THR 62 CO -0.71 0.29 -0.08 -0.03 0.37 0.00 0.00 175.52 175.35 1x6h h MET 63 N 0.76 -0.22 -0.82 6.66 1.85 0.37 -2.75 114.93 120.78 1x6h h MET 63 Ca 0.18 0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.43 1x6h h MET 63 Cb 0.25 0.05 -0.15 0.00 0.43 0.00 0.00 31.60 32.19 1x6h h MET 63 CO -0.01 0.13 -0.29 0.00 -0.40 0.00 0.00 176.91 176.34 1x6h h ALA 64 N 0.09 0.30 -0.58 0.39 0.00 -0.43 0.30 119.26 119.32 1x6h h ALA 64 Ca -0.02 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1x6h h ALA 64 Cb 0.46 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1x6h h ALA 64 CO 0.04 -0.53 0.38 0.00 0.00 0.00 0.00 179.25 179.14 1x6h h ARG 65 N -0.04 0.74 -0.83 0.00 3.08 -1.52 -2.42 114.38 113.40 1x6h h ARG 65 Ca 0.35 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.41 1x6h h ARG 65 Cb 0.60 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 1x6h h ARG 65 CO -0.85 0.49 0.51 1.25 -1.07 0.00 0.00 179.97 180.29 1x6h h HIS 66 N 0.76 0.94 -0.51 3.04 2.76 -0.19 -2.30 115.15 119.65 1x6h h HIS 66 Ca 0.22 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 1x6h h HIS 66 Cb -0.06 -0.30 -0.07 0.00 1.55 0.00 0.00 27.41 28.53 1x6h h HIS 66 CO -0.04 0.48 0.08 0.00 -1.30 0.00 0.00 177.93 177.15 1x6h h ALA 67 N 1.39 0.56 -0.45 5.26 0.00 -0.47 0.10 119.26 125.65 1x6h h ALA 67 Ca 0.36 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.45 1x6h h ALA 67 Cb 0.16 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1x6h h ALA 67 CO -0.17 -0.33 -0.48 0.22 0.00 0.00 0.00 179.25 178.49 1x6h h ASP 68 N 0.21 -1.62 0.93 0.00 1.82 -1.30 0.45 116.42 116.91 1x6h h ASP 68 Ca 0.26 0.24 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1x6h h ASP 68 Cb 0.36 0.69 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1x6h h ASP 68 CO -0.35 -0.37 0.00 0.78 -1.61 0.00 0.00 179.24 177.68 1x6h h ASN 69 N -0.33 0.00 -3.76 2.28 2.35 -1.47 -3.44 115.58 111.21 1x6h h ASN 69 Ca 0.12 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.39 1x6h h ASN 69 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1x6h h ASN 69 CO -0.61 0.00 0.31 0.00 -1.65 0.00 0.00 177.43 175.48 1x6h n ALA 71 N 1.06 1.91 0.00 0.00 0.00 -1.26 -4.88 120.51 117.33 1x6h n ALA 71 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1x6h n ALA 71 Cb 0.49 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 3.19 -1.19 3.77 0.00 0.00 -1.26 -4.82 105.19 104.88 1x6h n GLY 72 Ca -0.07 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.49 3.79 0.01 1.61 0.04 -1.20 -4.21 135.00 134.55 1x6h s PRO 73 Ca 0.00 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1x6h s PRO 73 Cb 0.00 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1x6h s PRO 73 CO 0.00 -0.53 -0.06 -0.40 0.04 0.00 0.00 177.00 176.06 1x6h n ASP 74 N -0.42 0.88 -3.04 6.66 5.75 -1.26 -5.03 116.55 120.09 1x6h n ASP 74 Ca 0.07 0.12 0.02 0.00 -0.01 0.00 0.00 54.79 54.99 1x6h n ASP 74 Cb 0.48 -0.30 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1x6h n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1x6h s GLY 75 N -4.52 -1.36 -0.05 6.12 0.00 -1.26 -5.15 107.32 101.09 1x6h s GLY 75 Ca -0.05 0.71 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 1x6h s GLY 75 CO 0.07 3.92 0.13 0.54 0.00 0.00 0.00 173.10 177.77 1x6h s VAL 76 N 1.96 -0.03 0.15 1.40 0.11 -1.26 -5.06 120.40 117.68 1x6h s VAL 76 Ca 0.16 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1x6h s VAL 76 Cb -0.01 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1x6h s VAL 76 CO -0.11 0.04 0.00 -0.62 -3.33 0.00 0.00 175.10 171.08 1x6h n GLU 77 N 3.64 0.00 -1.17 1.54 4.71 -1.26 -5.14 120.64 122.96 1x6h n GLU 77 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.95 1x6h n GLU 77 Cb 0.55 -0.29 0.00 0.00 -1.01 0.00 0.00 31.44 30.69 1x6h n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x6h n GLY 78 N 2.82 -2.25 3.17 0.62 0.00 -1.26 -5.11 105.19 103.17 1x6h n GLY 78 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.20 0.32 -0.29 1.61 2.12 -1.26 -5.15 118.70 115.85 1x6h s GLU 79 Ca 0.00 0.90 -0.24 0.00 0.36 0.00 0.00 54.97 55.99 1x6h s GLU 79 Cb 0.00 0.13 0.17 0.00 0.26 0.00 0.00 34.13 34.68 1x6h s GLU 79 CO 0.00 -0.35 1.28 0.54 -0.54 0.00 0.00 175.26 176.20 1x6h s ASN 80 N 2.59 -0.20 0.67 -1.70 4.22 -1.26 -5.18 114.94 114.08 1x6h s ASN 80 Ca 0.02 0.38 0.00 0.00 -2.14 0.00 0.00 52.86 51.13 1x6h s ASN 80 Cb -0.13 0.44 0.10 0.00 1.28 0.00 0.00 41.25 42.95 1x6h s ASN 80 CO -0.13 -0.07 0.93 -0.94 -2.04 0.00 0.00 177.10 174.85 1x6h s SER 81 N 0.18 4.61 -0.42 3.54 1.04 -1.26 -5.10 113.70 116.28 1x6h s SER 81 Ca 0.05 -0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1x6h s SER 81 Cb -0.05 -0.21 0.18 0.00 0.10 0.00 0.00 66.02 66.05 1x6h s SER 81 CO -0.12 -1.67 0.62 -0.83 0.98 0.00 0.00 173.24 172.22 1x6h s GLY 82 N -4.66 -1.11 1.24 7.32 0.00 -1.26 -5.01 107.32 103.83 1x6h s GLY 82 Ca 0.64 -0.04 -0.20 0.00 0.00 0.00 0.00 44.72 45.11 1x6h s GLY 82 CO 0.43 3.55 1.11 2.56 0.00 0.00 0.00 173.10 180.75 1x6h s PRO 83 N 1.62 -1.51 -0.30 2.90 0.04 -1.26 -5.02 135.00 131.47 1x6h s PRO 83 Ca 0.19 -0.16 0.16 0.00 0.04 0.00 0.00 61.00 61.23 1x6h s PRO 83 Cb -0.04 -1.57 0.48 0.00 0.04 0.00 0.00 34.50 33.40 1x6h s PRO 83 CO -0.06 -3.88 1.09 -1.13 0.04 0.00 0.00 177.00 173.05 1x6h n SER 84 N -4.86 2.63 -0.30 6.66 3.41 -1.26 -4.93 113.62 114.96 1x6h n SER 84 Ca 0.15 -2.75 0.02 0.00 -0.26 0.00 0.00 58.87 56.03 1x6h n SER 84 Cb 0.60 -0.46 0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1x6h n SER 84 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x6h n SER 85 N -0.49 -0.41 0.00 4.04 7.64 -1.26 -5.34 113.62 117.81 1x6h n SER 85 Ca 0.19 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.49 1x6h n SER 85 Cb 0.83 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1x6h n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64