#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6h n SER 2 N 0.00 0.72 -4.17 1.61 3.41 -1.26 -4.95 113.62 108.98 1x6h n SER 2 Ca 0.00 1.14 -0.34 0.00 -0.26 0.00 0.00 58.87 59.42 1x6h n SER 2 Cb 0.00 -1.11 -0.15 0.00 -0.26 0.00 0.00 64.21 62.69 1x6h n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x6h s SER 3 N -0.07 3.80 -0.03 4.04 0.01 -1.26 -5.09 113.70 115.10 1x6h s SER 3 Ca 0.78 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1x6h s SER 3 Cb -0.98 -1.58 0.11 0.00 0.21 0.00 0.00 66.02 63.78 1x6h s SER 3 CO 0.53 -0.06 0.97 -0.83 0.41 0.00 0.00 173.24 174.26 1x6h s GLY 4 N 1.31 -0.41 -0.14 3.44 0.00 -1.26 -5.12 107.32 105.13 1x6h s GLY 4 Ca 0.02 1.05 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 1x6h s GLY 4 CO -0.08 0.34 1.82 -0.45 0.00 0.00 0.00 173.10 174.73 1x6h s SER 5 N -2.47 6.24 -0.60 1.64 0.15 -1.26 -4.95 113.70 112.46 1x6h s SER 5 Ca 0.07 1.98 0.02 0.00 0.70 0.00 0.00 55.95 58.72 1x6h s SER 5 Cb -0.01 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 1x6h s SER 5 CO -0.07 -1.32 0.37 -0.55 1.20 0.00 0.00 173.24 172.88 1x6h s SER 6 N 4.99 4.71 0.00 5.45 0.15 -1.26 -4.96 113.70 122.77 1x6h s SER 6 Ca 0.81 -3.17 0.00 0.00 0.70 0.00 0.00 55.95 54.29 1x6h s SER 6 Cb -0.31 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1x6h s SER 6 CO 0.33 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1x6h n GLY 7 N 2.94 2.15 3.15 9.45 0.00 -1.26 -5.10 105.19 116.53 1x6h n GLY 7 Ca 0.09 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 2.42 2.21 -0.05 1.61 0.52 -1.26 -5.05 118.95 119.34 1x6h s ARG 8 Ca 0.00 -1.84 -0.27 0.00 -0.52 0.00 0.00 55.73 53.10 1x6h s ARG 8 Cb 0.00 -3.72 0.06 0.00 0.52 0.00 0.00 34.95 31.81 1x6h s ARG 8 CO 0.00 -1.12 0.60 -0.08 0.02 0.00 0.00 175.30 174.72 1x6h s THR 9 N 1.15 0.01 -0.98 0.02 -1.32 -1.26 -5.04 115.64 108.23 1x6h s THR 9 Ca 0.08 -0.10 0.10 0.00 -1.21 0.00 0.00 61.69 60.57 1x6h s THR 9 Cb -0.24 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1x6h s THR 9 CO -0.03 -0.05 0.66 1.57 -2.21 0.00 0.00 174.62 174.56 1x6h n HIS 10 N 1.07 0.00 -3.50 9.09 -0.00 -1.26 -4.91 115.22 115.71 1x6h n HIS 10 Ca -0.19 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.56 1x6h n HIS 10 Cb 0.57 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.34 1x6h n HIS 10 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1x6h s THR 11 N -1.34 4.86 0.00 3.57 -4.23 -1.26 -4.99 115.64 112.25 1x6h s THR 11 Ca 0.09 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1x6h s THR 11 Cb 0.08 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1x6h s THR 11 CO 0.25 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1x6h n GLY 12 N 5.08 1.17 2.75 3.99 0.00 -1.26 -5.03 105.19 111.89 1x6h n GLY 12 Ca -0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1x6h n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x6h n GLU 13 N 0.00 -4.84 -1.46 1.61 4.07 -1.26 -4.86 120.64 113.90 1x6h n GLU 13 Ca 0.00 0.53 -0.47 0.00 -0.06 0.00 0.00 57.16 57.16 1x6h n GLU 13 Cb 0.00 -4.65 -0.08 0.00 -0.06 0.00 0.00 31.44 26.65 1x6h n GLU 13 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1x6h n LYS 14 N -3.26 0.88 -0.04 5.31 5.02 -1.26 -4.81 118.16 119.99 1x6h n LYS 14 Ca -0.05 0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 56.34 1x6h n LYS 14 Cb 0.56 -2.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.17 1x6h n LYS 14 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x6h h PRO 15 N 13.47 0.68 -6.46 1.97 0.13 -1.80 -3.41 132.00 136.58 1x6h h PRO 15 Ca -0.23 -0.36 -0.55 0.00 -0.87 0.00 0.00 66.00 64.00 1x6h h PRO 15 Cb 1.31 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1x6h h PRO 15 CO 1.10 0.97 1.07 0.71 -0.23 0.00 0.00 178.00 181.62 1x6h s TYR 16 N -4.27 2.36 -0.20 1.56 1.51 -0.99 -4.94 117.35 112.38 1x6h s TYR 16 Ca -0.09 0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1x6h s TYR 16 Cb 0.12 -4.41 0.00 0.00 -0.11 0.00 0.00 41.96 37.56 1x6h s TYR 16 CO 0.84 -1.90 -0.11 0.00 -1.11 0.00 0.00 175.55 173.28 1x6h s ALA 17 N 5.77 2.62 0.73 3.71 0.00 -1.26 0.28 121.76 133.62 1x6h s ALA 17 Ca 0.52 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 1x6h s ALA 17 Cb -0.10 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.54 1x6h s ALA 17 CO 0.26 -0.38 1.03 0.00 0.00 0.00 0.00 175.76 176.66 1x6h n SER 19 N -1.95 2.01 0.03 0.00 3.41 -1.26 -4.36 113.62 111.50 1x6h n SER 19 Ca 0.13 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1x6h n SER 19 Cb 0.49 -0.51 0.32 0.00 -0.26 0.00 0.00 64.21 64.25 1x6h n SER 19 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1x6h h HIS 20 N 0.01 0.48 -3.41 7.33 3.86 -1.99 -3.45 115.15 117.98 1x6h h HIS 20 Ca -0.55 -0.05 -0.53 0.00 -1.16 0.00 0.00 60.37 58.08 1x6h h HIS 20 Cb 1.93 -0.14 -0.13 0.00 1.06 0.00 0.00 27.41 30.13 1x6h h HIS 20 CO 0.04 0.50 -0.50 0.00 0.86 0.00 0.00 177.93 178.83 1x6h n ASP 22 N -1.43 7.37 -4.58 0.00 2.03 -1.26 -4.38 116.55 114.29 1x6h n ASP 22 Ca -0.01 -3.70 -0.32 0.00 0.52 0.00 0.00 54.79 51.27 1x6h n ASP 22 Cb 0.64 -1.12 -0.11 0.00 -0.72 0.00 0.00 41.12 39.81 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 -3.67 2.53 0.18 -0.67 -0.14 -1.26 -4.99 119.74 111.73 1x6h s LYS 23 Ca 0.51 -0.73 0.08 0.00 -1.36 0.00 0.00 55.97 54.48 1x6h s LYS 23 Cb 0.39 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1x6h s LYS 23 CO -0.34 0.60 -0.17 0.95 -0.76 0.00 0.00 175.35 175.64 1x6h s THR 24 N -0.97 1.81 0.04 2.17 -4.23 -1.26 0.17 115.64 113.38 1x6h s THR 24 Ca 0.16 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 1x6h s THR 24 Cb -0.11 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1x6h s THR 24 CO 0.07 -0.42 0.22 -0.36 -0.54 0.00 0.00 174.62 173.59 1x6h s PHE 25 N -2.38 0.02 0.02 3.99 0.40 0.14 -4.98 117.98 115.19 1x6h s PHE 25 Ca 0.19 -0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 56.09 1x6h s PHE 25 Cb -0.04 -0.00 -0.21 0.00 0.51 0.00 0.00 43.02 43.28 1x6h s PHE 25 CO 0.07 -0.45 1.16 0.07 0.70 0.00 0.00 175.22 176.77 1x6h h ARG 26 N 3.39 0.42 -6.45 0.44 0.11 -1.90 -2.61 114.38 107.78 1x6h h ARG 26 Ca -0.32 -0.39 -0.63 0.00 0.10 0.00 0.00 59.98 58.74 1x6h h ARG 26 Cb 1.19 0.10 -0.14 0.00 1.11 0.00 0.00 29.97 32.23 1x6h h ARG 26 CO 0.48 1.04 -0.72 -0.65 0.10 0.00 0.00 179.97 180.22 1x6h s GLN 27 N -3.44 2.11 0.15 0.08 -1.52 -1.26 -4.62 119.66 111.16 1x6h s GLN 27 Ca -0.13 -1.22 -0.15 0.00 -1.95 0.00 0.00 55.36 51.91 1x6h s GLN 27 Cb 0.04 -2.20 0.02 0.00 -0.22 0.00 0.00 33.01 30.65 1x6h s GLN 27 CO 0.81 0.45 1.77 -0.22 -0.25 0.00 0.00 175.29 177.85 1x6h h LYS 28 N 2.98 0.61 -1.05 2.91 1.63 -1.97 -2.51 116.57 119.17 1x6h h LYS 28 Ca -0.47 -0.06 0.33 0.00 -0.85 0.00 0.00 60.65 59.60 1x6h h LYS 28 Cb 1.20 -0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 32.56 1x6h h LYS 28 CO 0.54 0.47 0.61 0.37 -3.45 0.00 0.00 179.45 177.99 1x6h h GLN 29 N 0.59 0.29 0.05 1.90 5.75 -1.98 0.44 115.11 122.15 1x6h h GLN 29 Ca 0.16 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1x6h h GLN 29 Cb 0.02 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1x6h h GLN 29 CO -0.03 0.19 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.25 1x6h h LEU 30 N 0.30 -0.06 -1.37 -2.39 -0.00 -1.87 -1.04 115.31 108.88 1x6h h LEU 30 Ca 0.74 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1x6h h LEU 30 Cb 1.78 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 1x6h h LEU 30 CO -0.56 0.30 0.00 0.25 -0.00 0.00 0.00 178.44 178.43 1x6h h LEU 31 N -0.43 0.00 0.06 1.67 5.85 -0.65 -0.87 115.31 120.94 1x6h h LEU 31 Ca -0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1x6h h LEU 31 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1x6h h LEU 31 CO 0.01 0.00 -0.74 -0.78 -0.34 0.00 0.00 178.44 176.59 1x6h h ASP 32 N 0.00 0.20 1.09 1.25 3.58 -0.02 -3.24 116.42 119.28 1x6h h ASP 32 Ca 0.00 -0.87 -0.04 0.00 0.42 0.00 0.00 57.03 56.54 1x6h h ASP 32 Cb 0.30 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1x6h h ASP 32 CO 0.00 1.32 -0.21 0.00 -2.88 0.00 0.00 179.24 177.47 1x6h h MET 33 N -0.69 0.00 -0.37 0.28 -0.00 -1.00 -3.02 114.93 110.12 1x6h h MET 33 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.43 1x6h h MET 33 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.97 1x6h h MET 33 CO 0.01 0.21 -0.17 1.25 -0.00 0.00 0.00 176.91 178.21 1x6h h HIS 34 N 0.00 0.89 0.26 -0.10 -0.00 -1.28 -1.67 115.15 113.25 1x6h h HIS 34 Ca -0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.14 1x6h h HIS 34 Cb 0.81 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1x6h h HIS 34 CO 0.00 0.96 -0.12 0.35 -0.00 0.00 0.00 177.93 179.11 1x6h h PHE 35 N 0.57 -0.32 0.00 5.26 3.04 -1.57 0.50 116.94 124.42 1x6h h PHE 35 Ca 0.08 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1x6h h PHE 35 Cb 0.72 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1x6h h PHE 35 CO 0.06 0.02 0.00 1.63 -2.02 0.00 0.00 178.31 178.00 1x6h n LYS 36 N -5.09 0.11 -0.08 1.11 4.76 -1.15 -1.32 118.16 116.50 1x6h n LYS 36 Ca -0.09 0.22 -0.07 0.00 -2.87 0.00 0.00 58.31 55.50 1x6h n LYS 36 Cb 0.25 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.32 0.46 -0.01 1.97 0.63 -0.63 -1.69 116.66 116.07 1x6h n ARG 37 Ca 0.04 0.28 -0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1x6h n ARG 37 Cb 0.08 -1.41 -0.00 0.00 0.45 0.00 0.00 32.46 31.58 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 -0.90 -0.01 0.00 -0.14 -1.99 -0.87 -3.31 116.97 109.74 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 0.77 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.51 1x6h h TYR 38 CO -0.33 -0.01 0.05 0.72 -0.00 0.00 0.00 178.16 178.58 1x6h n HIS 39 N -3.10 0.19 -3.61 4.88 8.25 -0.44 -4.21 115.22 117.18 1x6h n HIS 39 Ca -0.00 0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.37 1x6h n HIS 39 Cb 0.01 -0.62 -0.15 0.00 1.12 0.00 0.00 29.99 30.34 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 -3.21 1.22 0.00 0.41 2.15 -0.48 -4.95 116.67 111.81 1x6h s ASP 40 Ca -0.01 0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.14 1x6h s ASP 40 Cb 0.02 0.18 0.93 0.00 -0.30 0.00 0.00 42.92 43.75 1x6h s ASP 40 CO 0.05 -0.28 1.35 -0.81 -0.17 0.00 0.00 175.17 175.31 1x6h n PRO 41 N 5.31 0.48 0.22 4.34 -0.04 -1.25 -3.15 135.00 140.91 1x6h n PRO 41 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 1x6h n PRO 41 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.48 -3.49 3.54 2.35 -1.84 -3.43 115.58 112.23 1x6h h ASN 42 Ca 0.00 0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.23 1x6h h ASN 42 Cb 0.00 0.12 0.09 0.00 0.05 0.00 0.00 38.32 38.59 1x6h h ASN 42 CO 0.00 -0.27 0.86 0.12 -1.65 0.00 0.00 177.43 176.49 1x6h s PHE 43 N -3.79 2.70 -0.23 1.19 2.19 -0.68 -5.00 117.98 114.36 1x6h s PHE 43 Ca -0.08 0.88 -0.03 0.00 0.33 0.00 0.00 56.93 58.02 1x6h s PHE 43 Cb 0.01 -4.06 0.12 0.00 -1.31 0.00 0.00 43.02 37.78 1x6h s PHE 43 CO 0.25 -3.46 0.35 0.54 1.83 0.00 0.00 175.22 174.74 1x6h s VAL 44 N -0.29 -0.56 0.25 3.12 0.11 -1.26 -4.61 120.40 117.16 1x6h s VAL 44 Ca 0.61 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.31 1x6h s VAL 44 Cb -0.48 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 33.51 1x6h s VAL 44 CO 0.52 -0.11 1.27 -2.16 -3.33 0.00 0.00 175.10 171.29 1x6h s PRO 45 N 2.52 4.43 -0.43 1.54 0.04 -1.26 -4.96 135.00 136.87 1x6h s PRO 45 Ca 0.10 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 1x6h s PRO 45 Cb -0.15 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1x6h s PRO 45 CO -0.15 -0.15 1.39 0.00 0.04 0.00 0.00 177.00 178.14 1x6h s ALA 46 N -0.48 3.03 -0.28 8.56 0.00 -1.26 -4.98 121.76 126.35 1x6h s ALA 46 Ca 0.52 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1x6h s ALA 46 Cb -0.36 -3.96 0.07 0.00 0.00 0.00 0.00 23.12 18.87 1x6h s ALA 46 CO 0.43 -2.44 -0.05 0.00 0.00 0.00 0.00 175.76 173.70 1x6h s ALA 47 N 5.44 2.48 -0.14 0.00 0.00 -1.26 -4.58 121.76 123.69 1x6h s ALA 47 Ca 0.60 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1x6h s ALA 47 Cb -0.13 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.38 1x6h s ALA 47 CO 0.32 -1.34 -0.03 -0.06 0.00 0.00 0.00 175.76 174.65 1x6h s PHE 48 N 1.14 1.33 -0.04 0.00 0.40 -1.18 -5.04 117.98 114.59 1x6h s PHE 48 Ca -0.03 -0.79 -0.01 0.00 -0.60 0.00 0.00 56.93 55.51 1x6h s PHE 48 Cb -0.19 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1x6h s PHE 48 CO -0.07 -0.53 0.02 0.08 0.70 0.00 0.00 175.22 175.42 1x6h s VAL 49 N 1.76 4.38 0.02 -0.44 1.01 -1.26 -0.90 120.40 124.97 1x6h s VAL 49 Ca 0.02 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1x6h s VAL 49 Cb -0.14 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1x6h s VAL 49 CO -0.07 0.47 1.37 0.00 0.00 0.00 0.00 175.10 176.87 1x6h n SER 51 N 5.00 0.59 -0.12 0.00 7.64 -1.26 -1.15 113.62 124.33 1x6h n SER 51 Ca 0.12 -1.26 -0.22 0.00 1.01 0.00 0.00 58.87 58.52 1x6h n SER 51 Cb 0.44 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.51 0.56 -0.07 1.43 5.02 -1.26 -4.81 118.16 118.52 1x6h n LYS 52 Ca 0.21 0.39 -0.12 0.00 -2.02 0.00 0.00 58.31 56.76 1x6h n LYS 52 Cb 0.20 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 2.61 1.67 3.89 0.00 0.00 -0.30 -4.60 105.19 108.46 1x6h n GLY 54 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1x6h n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6h s LYS 55 N -0.29 3.72 -0.13 1.61 1.02 -1.25 -4.73 119.74 119.69 1x6h s LYS 55 Ca 0.00 0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.06 1x6h s LYS 55 Cb 0.00 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.64 1x6h s LYS 55 CO 0.00 0.24 0.20 0.95 -0.92 0.00 0.00 175.35 175.81 1x6h s THR 56 N -1.99 5.39 0.11 2.17 -4.23 -1.26 -0.09 115.64 115.74 1x6h s THR 56 Ca 0.46 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.38 1x6h s THR 56 Cb -0.11 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1x6h s THR 56 CO 0.26 0.54 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.35 1x6h s PHE 57 N -0.50 1.56 -0.19 3.99 0.40 -0.08 -5.00 117.98 118.16 1x6h s PHE 57 Ca 0.15 -0.48 0.19 0.00 -0.60 0.00 0.00 56.93 56.19 1x6h s PHE 57 Cb -0.13 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1x6h s PHE 57 CO 0.04 0.18 1.04 0.00 0.70 0.00 0.00 175.22 177.18 1x6h h THR 58 N 3.80 0.31 -3.94 0.64 1.03 -1.84 -3.13 112.91 109.77 1x6h h THR 58 Ca -0.42 -1.56 -0.59 0.00 -0.01 0.00 0.00 66.41 63.83 1x6h h THR 58 Cb 1.19 1.87 -0.22 0.00 -1.07 0.00 0.00 68.15 69.92 1x6h h THR 58 CO 0.45 0.18 -0.84 -0.60 -0.01 0.00 0.00 175.52 174.70 1x6h s ARG 59 N -3.12 1.20 -0.06 0.00 3.52 -1.26 -4.58 118.95 114.65 1x6h s ARG 59 Ca -0.00 -1.19 -0.15 0.00 -0.13 0.00 0.00 55.73 54.26 1x6h s ARG 59 Cb 0.09 -1.50 -0.10 0.00 -1.56 0.00 0.00 34.95 31.88 1x6h s ARG 59 CO 0.78 0.35 0.58 -0.09 -0.81 0.00 0.00 175.30 176.12 1x6h h ARG 60 N 4.08 -0.30 -0.75 5.12 1.12 -1.94 -2.94 114.38 118.78 1x6h h ARG 60 Ca -0.47 0.02 0.17 0.00 -1.11 0.00 0.00 59.98 58.59 1x6h h ARG 60 Cb 1.18 0.07 -0.13 0.00 -0.01 0.00 0.00 29.97 31.07 1x6h h ARG 60 CO 0.40 -0.04 -0.05 -0.91 -3.11 0.00 0.00 179.97 176.25 1x6h h ASN 61 N -1.02 -0.45 0.31 -3.80 2.35 -1.99 0.19 115.58 111.17 1x6h h ASN 61 Ca -0.03 0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1x6h h ASN 61 Cb 0.39 0.38 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 1x6h h ASN 61 CO 0.05 -0.20 -0.31 0.74 -1.65 0.00 0.00 177.43 176.06 1x6h h THR 62 N 0.07 0.34 0.10 2.81 2.02 -2.00 -2.26 112.91 113.99 1x6h h THR 62 Ca 0.40 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.59 1x6h h THR 62 Cb 0.68 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1x6h h THR 62 CO -0.70 0.00 -0.23 -0.03 0.37 0.00 0.00 175.52 174.93 1x6h h MET 63 N -0.66 -0.40 -0.79 6.66 1.85 -1.02 -1.60 114.93 118.97 1x6h h MET 63 Ca -0.02 0.03 0.12 0.00 -0.61 0.00 0.00 59.70 59.22 1x6h h MET 63 Cb 0.60 0.09 -0.13 0.00 0.43 0.00 0.00 31.60 32.59 1x6h h MET 63 CO -0.06 -0.27 -0.40 0.00 -0.40 0.00 0.00 176.91 175.78 1x6h h ALA 64 N 0.36 -0.06 -0.09 0.39 0.00 -0.55 0.46 119.26 119.77 1x6h h ALA 64 Ca 0.03 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1x6h h ALA 64 Cb 0.45 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1x6h h ALA 64 CO -0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 179.25 178.38 1x6h h ARG 65 N -0.10 0.00 -0.70 0.00 3.08 -1.13 -2.63 114.38 112.91 1x6h h ARG 65 Ca 0.26 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.47 1x6h h ARG 65 Cb 0.56 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.49 1x6h h ARG 65 CO -0.83 0.00 0.03 1.25 -1.07 0.00 0.00 179.97 179.35 1x6h h HIS 66 N 0.00 -0.01 -1.00 3.04 2.76 0.03 0.20 115.15 120.18 1x6h h HIS 66 Ca 0.04 0.05 0.19 0.00 -2.20 0.00 0.00 60.37 58.45 1x6h h HIS 66 Cb 0.06 0.11 -0.11 0.00 1.55 0.00 0.00 27.41 29.03 1x6h h HIS 66 CO -0.14 -0.20 0.61 0.00 -1.30 0.00 0.00 177.93 176.91 1x6h h ALA 67 N 1.64 1.68 0.15 5.26 0.00 -0.75 0.35 119.26 127.60 1x6h h ALA 67 Ca 0.38 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x6h h ALA 67 Cb 0.65 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1x6h h ALA 67 CO -0.60 -0.05 -0.36 0.22 0.00 0.00 0.00 179.25 178.46 1x6h h ASP 68 N 0.77 -1.04 -0.02 0.00 1.82 -0.52 -0.93 116.42 116.49 1x6h h ASP 68 Ca 0.57 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.33 1x6h h ASP 68 Cb 0.89 0.39 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1x6h h ASP 68 CO -0.37 -0.45 0.00 0.59 -1.61 0.00 0.00 179.24 177.40 1x6h n ASN 69 N -5.44 0.48 -4.80 2.28 3.02 -0.72 -4.86 115.26 105.22 1x6h n ASN 69 Ca -0.07 -1.30 -0.35 0.00 -0.03 0.00 0.00 54.58 52.83 1x6h n ASN 69 Cb 0.35 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.12 1.78 0.00 0.00 0.00 -1.26 -4.95 120.51 116.21 1x6h n ALA 71 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1x6h n ALA 71 Cb 0.52 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 2.91 0.90 3.73 0.00 0.00 -1.26 -4.92 105.19 106.55 1x6h n GLY 72 Ca -0.20 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.00 4.37 -0.18 1.61 0.04 -1.25 -4.74 135.00 132.85 1x6h s PRO 73 Ca 0.00 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.22 1x6h s PRO 73 Cb 0.00 -3.22 0.43 0.00 0.04 0.00 0.00 34.50 31.75 1x6h s PRO 73 CO 0.00 -0.31 1.20 -0.40 0.04 0.00 0.00 177.00 177.53 1x6h n ASP 74 N 3.13 2.04 -0.30 6.66 5.68 -1.26 -5.10 116.55 127.40 1x6h n ASP 74 Ca 0.08 -3.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.00 1x6h n ASP 74 Cb 0.43 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1x6h n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x6h n GLY 75 N -0.68 -0.23 4.28 6.12 0.00 -1.26 -4.70 105.19 108.71 1x6h n GLY 75 Ca 0.19 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1x6h n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x6h n VAL 76 N -0.60 -0.08 -4.15 1.61 3.14 -1.26 -4.90 118.33 112.10 1x6h n VAL 76 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1x6h n VAL 76 Cb 0.00 -0.53 -0.15 0.00 -1.06 0.00 0.00 33.84 32.10 1x6h n VAL 76 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1x6h s GLU 77 N -6.95 0.51 0.00 1.45 2.12 -1.26 -5.02 118.70 109.54 1x6h s GLU 77 Ca 0.73 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1x6h s GLU 77 Cb -0.42 -0.52 0.00 0.00 0.26 0.00 0.00 34.13 33.44 1x6h s GLU 77 CO 0.90 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 176.08 1x6h n GLY 78 N 3.30 0.00 3.65 -1.50 0.00 -1.26 -5.11 105.19 104.26 1x6h n GLY 78 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1x6h n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6h s GLU 79 N -1.55 0.20 0.34 1.61 1.03 -1.26 -5.19 118.70 113.89 1x6h s GLU 79 Ca 0.00 0.33 0.04 0.00 0.03 0.00 0.00 54.97 55.37 1x6h s GLU 79 Cb 0.00 0.05 -0.02 0.00 -0.80 0.00 0.00 34.13 33.37 1x6h s GLU 79 CO 0.00 -0.04 0.16 0.27 -1.33 0.00 0.00 175.26 174.32 1x6h n ASN 80 N 3.09 0.70 -0.02 0.83 0.23 -1.26 -5.09 115.26 113.74 1x6h n ASN 80 Ca -0.17 -2.93 -0.04 0.00 -0.53 0.00 0.00 54.58 50.91 1x6h n ASN 80 Cb 0.57 1.07 -0.01 0.00 -2.08 0.00 0.00 39.78 39.32 1x6h n ASN 80 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x6h n SER 81 N -1.65 1.42 -0.12 0.53 3.41 -1.26 -5.15 113.62 110.80 1x6h n SER 81 Ca -0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1x6h n SER 81 Cb 0.54 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1x6h n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6h n GLY 82 N 2.95 -2.77 3.74 5.00 0.00 -1.26 -5.03 105.19 107.82 1x6h n GLY 82 Ca -0.07 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.81 1.77 -0.47 1.61 0.04 -1.26 -5.03 135.00 127.85 1x6h s PRO 83 Ca 0.00 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.08 1x6h s PRO 83 Cb 0.00 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.81 1x6h s PRO 83 CO 0.00 -1.94 0.20 -1.12 0.04 0.00 0.00 177.00 174.18 1x6h s SER 84 N -3.41 4.48 -0.07 6.66 0.01 -1.26 -5.07 113.70 115.04 1x6h s SER 84 Ca 0.62 -2.74 -0.16 0.00 1.31 0.00 0.00 55.95 54.98 1x6h s SER 84 Cb -0.18 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1x6h s SER 84 CO 0.56 -0.28 0.39 -0.44 0.41 0.00 0.00 173.24 173.88 1x6h s SER 85 N 0.11 -0.33 0.00 2.44 0.01 -1.26 -5.37 113.70 109.30 1x6h s SER 85 Ca 0.15 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1x6h s SER 85 Cb -0.24 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1x6h s SER 85 CO -0.03 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.88