#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 -0.08 -0.95 1.61 0.15 -1.26 -5.10 113.70 108.07 1x6h s SER 2 Ca 0.00 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 1x6h s SER 2 Cb 0.00 0.46 0.24 0.00 -1.71 0.00 0.00 66.02 65.01 1x6h s SER 2 CO 0.00 -0.89 0.91 -0.94 1.20 0.00 0.00 173.24 173.52 1x6h s SER 3 N -2.89 6.91 1.06 5.45 1.04 -1.26 -5.05 113.70 118.96 1x6h s SER 3 Ca 0.10 -3.17 -0.18 0.00 0.48 0.00 0.00 55.95 53.18 1x6h s SER 3 Cb 0.02 -2.18 0.24 0.00 0.10 0.00 0.00 66.02 64.21 1x6h s SER 3 CO -0.05 -0.41 1.28 -0.83 0.98 0.00 0.00 173.24 174.20 1x6h s GLY 4 N 1.58 1.74 -1.01 7.32 0.00 -1.26 -4.86 107.32 110.84 1x6h s GLY 4 Ca 0.24 -1.22 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 1x6h s GLY 4 CO -0.08 -0.37 2.12 -0.56 0.00 0.00 0.00 173.10 174.21 1x6h s SER 5 N -4.65 4.17 0.58 1.64 0.01 -1.26 -4.90 113.70 109.30 1x6h s SER 5 Ca 0.75 -0.85 -0.16 0.00 1.31 0.00 0.00 55.95 57.00 1x6h s SER 5 Cb -0.04 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.47 1x6h s SER 5 CO 0.54 -3.86 -0.29 -1.20 0.41 0.00 0.00 173.24 168.85 1x6h n SER 6 N 17.35 -3.95 -4.24 2.44 7.64 -1.26 -4.95 113.62 126.64 1x6h n SER 6 Ca 0.43 0.48 -0.32 0.00 1.01 0.00 0.00 58.87 60.47 1x6h n SER 6 Cb 0.46 -0.75 -0.17 0.00 -1.01 0.00 0.00 64.21 62.74 1x6h n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6h s GLY 7 N -0.91 1.34 -0.10 0.23 0.00 -1.26 -5.09 107.32 101.52 1x6h s GLY 7 Ca 0.48 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 1x6h s GLY 7 CO 0.65 -0.40 1.59 -1.60 0.00 0.00 0.00 173.10 173.34 1x6h s ARG 8 N 0.21 4.11 -0.05 2.90 3.52 -1.26 -4.99 118.95 123.40 1x6h s ARG 8 Ca -0.14 2.01 -0.18 0.00 -0.13 0.00 0.00 55.73 57.28 1x6h s ARG 8 Cb -0.17 -3.96 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 1x6h s ARG 8 CO 0.07 -0.91 0.51 0.95 -0.81 0.00 0.00 175.30 175.11 1x6h s THR 9 N 4.19 5.03 -0.30 4.11 -4.23 -1.26 -5.05 115.64 118.14 1x6h s THR 9 Ca 0.70 1.06 -0.16 0.00 -1.18 0.00 0.00 61.69 62.11 1x6h s THR 9 Cb -0.30 -3.84 0.17 0.00 1.34 0.00 0.00 72.50 69.86 1x6h s THR 9 CO 0.27 0.42 1.04 -1.38 -0.54 0.00 0.00 174.62 174.43 1x6h s HIS 10 N -0.07 -0.51 0.93 3.99 -0.00 -1.26 -5.18 115.29 113.19 1x6h s HIS 10 Ca 0.28 0.95 -0.16 0.00 -0.00 0.00 0.00 55.06 56.12 1x6h s HIS 10 Cb -0.17 0.30 0.22 0.00 -0.00 0.00 0.00 32.58 32.93 1x6h s HIS 10 CO 0.14 -0.25 1.21 0.25 -0.00 0.00 0.00 174.74 176.09 1x6h n THR 11 N 4.18 0.00 -2.10 -5.38 -2.24 -1.26 -4.95 114.28 102.53 1x6h n THR 11 Ca -0.14 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1x6h n THR 11 Cb 0.55 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.17 1.45 3.47 3.38 0.00 -1.26 -5.07 105.19 103.99 1x6h n GLY 12 Ca 0.15 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 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 1.66 3.97 -0.03 1.61 -1.05 -1.26 -4.94 118.70 118.66 1x6h s GLU 13 Ca 0.00 -2.33 -0.00 0.00 -0.15 0.00 0.00 54.97 52.48 1x6h s GLU 13 Cb 0.00 -5.08 0.03 0.00 -0.44 0.00 0.00 34.13 28.64 1x6h s GLU 13 CO 0.00 -1.82 0.03 0.15 0.95 0.00 0.00 175.26 174.57 1x6h s LYS 14 N 2.10 0.06 0.21 -4.83 3.01 -1.26 -4.86 119.74 114.17 1x6h s LYS 14 Ca 0.42 0.21 -0.03 0.00 -1.01 0.00 0.00 55.97 55.56 1x6h s LYS 14 Cb -0.03 -0.41 0.18 0.00 -1.01 0.00 0.00 37.83 36.56 1x6h s LYS 14 CO -0.02 -0.21 1.57 -1.00 0.51 0.00 0.00 175.35 176.20 1x6h h PRO 15 N 7.64 0.60 -6.13 -1.68 0.13 -1.89 -3.41 132.00 127.25 1x6h h PRO 15 Ca -0.35 -0.31 -0.52 0.00 -0.87 0.00 0.00 66.00 63.95 1x6h h PRO 15 Cb 1.12 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1x6h h PRO 15 CO 0.38 0.91 1.25 0.71 -0.23 0.00 0.00 178.00 181.02 1x6h s TYR 16 N -4.22 1.89 -0.31 1.56 1.51 -1.20 -4.96 117.35 111.63 1x6h s TYR 16 Ca -0.08 0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1x6h s TYR 16 Cb 0.12 -4.28 0.04 0.00 -0.11 0.00 0.00 41.96 37.73 1x6h s TYR 16 CO 0.83 -2.23 0.03 0.00 -1.11 0.00 0.00 175.55 173.08 1x6h s ALA 17 N 7.81 2.90 0.40 3.71 0.00 -1.26 -0.63 121.76 134.69 1x6h s ALA 17 Ca 0.56 -1.70 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 1x6h s ALA 17 Cb -0.11 -2.04 -0.12 0.00 0.00 0.00 0.00 23.12 20.85 1x6h s ALA 17 CO 0.19 -1.22 0.89 0.00 0.00 0.00 0.00 175.76 175.62 1x6h h SER 19 N 1.39 0.00 -1.00 0.00 0.02 -1.98 -3.36 113.55 108.62 1x6h h SER 19 Ca -0.42 -0.60 0.20 0.00 -0.84 0.00 0.00 61.79 60.13 1x6h h SER 19 Cb 1.36 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.79 1x6h h SER 19 CO 0.56 1.03 0.61 0.45 -1.14 0.00 0.00 176.83 178.34 1x6h h HIS 20 N -1.00 1.00 -4.27 3.45 3.86 -1.99 -3.43 115.15 112.77 1x6h h HIS 20 Ca -0.10 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.82 1x6h h HIS 20 Cb 0.87 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.97 1x6h h HIS 20 CO 0.14 0.19 -0.26 0.00 0.86 0.00 0.00 177.93 178.86 1x6h n ASP 22 N -1.50 3.74 -4.90 0.00 2.03 -1.26 -4.40 116.55 110.25 1x6h n ASP 22 Ca -0.07 -3.51 -0.28 0.00 0.52 0.00 0.00 54.79 51.45 1x6h n ASP 22 Cb 0.34 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 -3.18 3.53 0.05 -0.67 -0.14 -1.26 -4.91 119.74 113.17 1x6h s LYS 23 Ca 0.53 0.32 -0.00 0.00 -1.36 0.00 0.00 55.97 55.45 1x6h s LYS 23 Cb 0.44 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 1x6h s LYS 23 CO 0.09 -0.31 -0.04 0.95 -0.76 0.00 0.00 175.35 175.28 1x6h s THR 24 N -2.86 0.28 -0.02 2.17 -4.23 -1.26 -0.64 115.64 109.08 1x6h s THR 24 Ca 0.49 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 59.27 1x6h s THR 24 Cb -0.10 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.53 1x6h s THR 24 CO 0.47 -0.84 0.29 -0.36 -0.54 0.00 0.00 174.62 173.64 1x6h s PHE 25 N -3.22 -0.17 -0.03 3.99 0.40 0.20 -4.96 117.98 114.19 1x6h s PHE 25 Ca 0.02 0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 56.41 1x6h s PHE 25 Cb 0.03 0.08 -0.24 0.00 0.51 0.00 0.00 43.02 43.40 1x6h s PHE 25 CO -0.07 -0.35 1.03 -0.09 0.70 0.00 0.00 175.22 176.44 1x6h h ARG 26 N 4.13 0.27 -4.89 0.44 2.43 -1.89 -3.18 114.38 111.69 1x6h h ARG 26 Ca -0.29 -0.30 -0.64 0.00 -0.81 0.00 0.00 59.98 57.93 1x6h h ARG 26 Cb 1.18 0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 30.64 1x6h h ARG 26 CO 0.39 1.02 -0.52 -0.65 -1.51 0.00 0.00 179.97 178.70 1x6h s GLN 27 N -3.06 3.90 0.34 0.20 -1.52 -1.26 -4.81 119.66 113.45 1x6h s GLN 27 Ca -0.15 -0.35 0.12 0.00 -1.95 0.00 0.00 55.36 53.03 1x6h s GLN 27 Cb 0.02 -3.65 1.07 0.00 -0.22 0.00 0.00 33.01 30.23 1x6h s GLN 27 CO 0.78 -0.20 1.56 1.17 -0.25 0.00 0.00 175.29 178.35 1x6h n LYS 28 N 5.06 -0.07 -0.07 2.91 4.81 -1.26 -0.21 118.16 129.33 1x6h n LYS 28 Ca -0.14 1.42 -0.12 0.00 -0.87 0.00 0.00 58.31 58.60 1x6h n LYS 28 Cb 0.52 -2.41 -0.06 0.00 0.02 0.00 0.00 35.03 33.09 1x6h n LYS 28 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1x6h h GLN 29 N 0.00 -0.41 -0.66 1.64 5.75 -1.98 0.20 115.11 119.65 1x6h h GLN 29 Ca 0.73 0.03 0.14 0.00 -0.15 0.00 0.00 58.65 59.40 1x6h h GLN 29 Cb 1.78 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 30.31 1x6h h GLN 29 CO -0.84 -0.27 0.05 -0.07 -2.65 0.00 0.00 178.83 175.05 1x6h h LEU 30 N -0.42 -0.21 -1.62 -2.39 3.38 -1.01 0.50 115.31 113.53 1x6h h LEU 30 Ca 0.10 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1x6h h LEU 30 Cb 0.61 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1x6h h LEU 30 CO -0.50 -0.10 -0.21 0.25 0.09 0.00 0.00 178.44 177.97 1x6h h LEU 31 N 0.16 0.00 -0.03 1.67 5.85 -1.07 0.39 115.31 122.27 1x6h h LEU 31 Ca 0.36 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 1x6h h LEU 31 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1x6h h LEU 31 CO -0.54 0.21 -0.23 -0.78 -0.34 0.00 0.00 178.44 176.76 1x6h h ASP 32 N 0.00 0.26 0.46 1.25 1.82 0.29 -3.09 116.42 117.41 1x6h h ASP 32 Ca -0.00 -0.68 -0.12 0.00 -0.39 0.00 0.00 57.03 55.83 1x6h h ASP 32 Cb 0.44 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1x6h h ASP 32 CO 0.03 0.91 -0.54 0.00 -1.61 0.00 0.00 179.24 178.02 1x6h h MET 33 N -0.36 0.10 -0.01 0.28 -0.00 -0.66 -3.13 114.93 111.15 1x6h h MET 33 Ca -0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 59.70 59.63 1x6h h MET 33 Cb 0.91 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.51 1x6h h MET 33 CO 0.05 0.62 -0.04 1.25 -0.00 0.00 0.00 176.91 178.78 1x6h h HIS 34 N 0.07 -0.11 0.14 -0.10 -0.00 -0.97 -0.12 115.15 114.07 1x6h h HIS 34 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1x6h h HIS 34 Cb 0.99 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 1x6h h HIS 34 CO 0.01 -0.07 -0.17 0.35 -0.00 0.00 0.00 177.93 178.04 1x6h h PHE 35 N -0.07 -0.46 0.00 5.26 3.04 -1.53 0.30 116.94 123.48 1x6h h PHE 35 Ca 0.02 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1x6h h PHE 35 Cb 0.10 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1x6h h PHE 35 CO -0.12 -0.26 0.00 1.63 -2.02 0.00 0.00 178.31 177.54 1x6h n LYS 36 N -5.30 0.11 -0.06 1.11 4.76 -1.14 -1.47 118.16 116.16 1x6h n LYS 36 Ca -0.07 0.22 -0.06 0.00 -2.87 0.00 0.00 58.31 55.53 1x6h n LYS 36 Cb 0.22 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.33 0.39 0.04 1.97 0.63 -0.07 -1.75 116.66 116.54 1x6h n ARG 37 Ca 0.04 0.26 -0.02 0.00 -0.92 0.00 0.00 57.85 57.21 1x6h n ARG 37 Cb 0.09 -1.30 -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 -0.77 -0.13 0.00 -0.14 -1.99 -0.49 -3.27 116.97 110.18 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 0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1x6h h TYR 38 CO -0.28 -0.08 0.10 0.45 -0.00 0.00 0.00 178.16 178.35 1x6h h HIS 39 N -0.43 0.00 -3.26 4.88 3.86 -1.42 -3.37 115.15 115.41 1x6h h HIS 39 Ca -0.01 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.79 1x6h h HIS 39 Cb 0.11 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.19 1x6h h HIS 39 CO 0.04 0.00 -0.75 0.34 0.86 0.00 0.00 177.93 178.42 1x6h s ASP 40 N -4.30 1.50 0.00 2.45 -1.08 -0.81 -4.97 116.67 109.46 1x6h s ASP 40 Ca -0.03 -0.10 0.15 0.00 -0.52 0.00 0.00 52.55 52.05 1x6h s ASP 40 Cb 0.08 -0.25 0.78 0.00 -1.46 0.00 0.00 42.92 42.06 1x6h s ASP 40 CO 0.26 -0.25 1.40 -0.81 0.52 0.00 0.00 175.17 176.28 1x6h n PRO 41 N 5.25 0.26 0.36 4.34 -0.04 -1.24 -3.11 135.00 140.81 1x6h n PRO 41 Ca -0.05 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 1x6h n PRO 41 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.78 -3.61 3.54 2.35 -1.83 -3.43 115.58 111.82 1x6h h ASN 42 Ca 0.00 0.03 -0.52 0.00 -0.55 0.00 0.00 56.30 55.26 1x6h h ASN 42 Cb 0.11 0.20 0.05 0.00 0.05 0.00 0.00 38.32 38.73 1x6h h ASN 42 CO 0.00 -0.50 0.65 0.12 -1.65 0.00 0.00 177.43 176.05 1x6h s PHE 43 N -4.78 3.17 -0.21 1.19 2.19 -0.72 -5.02 117.98 113.80 1x6h s PHE 43 Ca -0.13 1.31 -0.05 0.00 0.33 0.00 0.00 56.93 58.38 1x6h s PHE 43 Cb 0.01 -3.63 0.10 0.00 -1.31 0.00 0.00 43.02 38.19 1x6h s PHE 43 CO 0.40 -1.87 0.40 0.54 1.83 0.00 0.00 175.22 176.53 1x6h s VAL 44 N -0.49 -0.63 0.39 3.12 0.11 -1.26 -4.42 120.40 117.21 1x6h s VAL 44 Ca 0.53 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.42 1x6h s VAL 44 Cb -0.38 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 33.68 1x6h s VAL 44 CO 0.45 0.01 1.19 -2.16 -3.33 0.00 0.00 175.10 171.26 1x6h s PRO 45 N 2.59 4.11 -0.46 1.54 0.04 -1.26 -4.96 135.00 136.60 1x6h s PRO 45 Ca 0.03 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 1x6h s PRO 45 Cb -0.13 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.66 1x6h s PRO 45 CO -0.14 -0.29 1.44 0.00 0.04 0.00 0.00 177.00 178.05 1x6h s ALA 46 N -1.35 2.94 -0.29 8.56 0.00 -1.26 -4.97 121.76 125.38 1x6h s ALA 46 Ca 0.55 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1x6h s ALA 46 Cb -0.33 -4.01 0.08 0.00 0.00 0.00 0.00 23.12 18.87 1x6h s ALA 46 CO 0.41 -2.62 -0.04 0.00 0.00 0.00 0.00 175.76 173.51 1x6h s ALA 47 N 5.79 2.66 -0.27 0.00 0.00 -1.26 -4.39 121.76 124.29 1x6h s ALA 47 Ca 0.59 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 50.52 1x6h s ALA 47 Cb -0.13 -1.73 0.07 0.00 0.00 0.00 0.00 23.12 21.33 1x6h s ALA 47 CO 0.30 -1.40 -0.03 -0.06 0.00 0.00 0.00 175.76 174.57 1x6h s PHE 48 N 1.04 2.90 -0.10 0.00 0.40 -0.11 -5.01 117.98 117.10 1x6h s PHE 48 Ca -0.01 -2.20 -0.13 0.00 -0.60 0.00 0.00 56.93 53.99 1x6h s PHE 48 Cb -0.20 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1x6h s PHE 48 CO -0.07 -0.85 0.31 0.08 0.70 0.00 0.00 175.22 175.39 1x6h s VAL 49 N 1.22 5.25 1.15 -0.44 1.01 -1.26 -0.53 120.40 126.80 1x6h s VAL 49 Ca -0.02 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 1x6h s VAL 49 Cb -0.19 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.76 1x6h s VAL 49 CO -0.08 0.49 0.33 0.00 0.00 0.00 0.00 175.10 175.84 1x6h n SER 51 N -2.52 0.04 -0.06 0.00 3.41 -1.26 -4.30 113.62 108.93 1x6h n SER 51 Ca 0.04 -0.36 -0.21 0.00 -0.26 0.00 0.00 58.87 58.08 1x6h n SER 51 Cb 0.53 0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 64.95 1x6h n SER 51 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x6h n LYS 52 N -0.60 0.69 -0.03 4.33 5.02 -1.26 -4.79 118.16 121.52 1x6h n LYS 52 Ca 0.00 0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1x6h n LYS 52 Cb 0.01 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 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 2.69 1.95 3.76 0.00 0.00 -1.26 -4.61 105.19 107.71 1x6h n GLY 54 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 0.30 0.01 1.61 1.02 -1.26 -4.65 119.74 116.73 1x6h s LYS 55 Ca 0.00 0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.08 1x6h s LYS 55 Cb 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1x6h s LYS 55 CO 0.00 -2.72 -0.11 0.95 -0.92 0.00 0.00 175.35 172.56 1x6h s THR 56 N -3.32 3.34 -0.07 2.17 -4.23 -1.26 -0.75 115.64 111.52 1x6h s THR 56 Ca 0.68 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 1x6h s THR 56 Cb -0.11 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1x6h s THR 56 CO 0.54 0.41 0.17 -0.36 -0.54 0.00 0.00 174.62 174.84 1x6h s PHE 57 N -0.94 -0.20 -0.36 3.99 0.40 0.30 -4.94 117.98 116.24 1x6h s PHE 57 Ca 0.16 0.53 0.05 0.00 -0.60 0.00 0.00 56.93 57.06 1x6h s PHE 57 Cb -0.11 -0.02 0.51 0.00 0.51 0.00 0.00 43.02 43.91 1x6h s PHE 57 CO 0.06 -0.16 1.59 0.25 0.70 0.00 0.00 175.22 177.66 1x6h n THR 58 N 3.88 2.42 -3.56 0.64 -2.24 -1.26 -0.93 114.28 113.22 1x6h n THR 58 Ca -0.22 -1.27 -0.02 0.00 -2.27 0.00 0.00 64.05 60.27 1x6h n THR 58 Cb 0.54 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.32 0.52 0.12 -0.78 0.52 -1.26 -4.85 118.95 110.89 1x6h s ARG 59 Ca 0.40 1.28 -0.26 0.00 -0.52 0.00 0.00 55.73 56.63 1x6h s ARG 59 Cb 0.33 0.68 -0.06 0.00 0.52 0.00 0.00 34.95 36.42 1x6h s ARG 59 CO 0.09 -0.29 1.64 -0.09 0.02 0.00 0.00 175.30 176.66 1x6h h ARG 60 N 8.04 -0.39 -0.14 3.54 1.12 -1.95 -0.05 114.38 124.54 1x6h h ARG 60 Ca -0.18 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.76 1x6h h ARG 60 Cb 1.11 0.09 -0.07 0.00 -0.01 0.00 0.00 29.97 31.10 1x6h h ARG 60 CO 0.14 -0.26 -0.37 -0.91 -3.11 0.00 0.00 179.97 175.45 1x6h h ASN 61 N -0.41 -1.16 0.33 -3.80 2.35 -1.99 -0.23 115.58 110.67 1x6h h ASN 61 Ca 0.05 0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1x6h h ASN 61 Cb 0.47 0.48 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 1x6h h ASN 61 CO -0.20 -0.39 -0.48 0.74 -1.65 0.00 0.00 177.43 175.45 1x6h h THR 62 N -0.44 0.06 -0.22 2.81 2.02 -1.92 -1.67 112.91 113.54 1x6h h THR 62 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1x6h h THR 62 Cb 0.59 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1x6h h THR 62 CO -0.38 0.00 -0.35 -0.03 0.37 0.00 0.00 175.52 175.13 1x6h h MET 63 N -0.86 -0.26 -0.92 6.66 1.85 -0.72 0.32 114.93 120.99 1x6h h MET 63 Ca -0.03 0.02 0.27 0.00 -0.61 0.00 0.00 59.70 59.34 1x6h h MET 63 Cb 0.79 0.06 -0.16 0.00 0.43 0.00 0.00 31.60 32.73 1x6h h MET 63 CO -0.15 -0.18 0.22 0.00 -0.40 0.00 0.00 176.91 176.41 1x6h h ALA 64 N -0.55 1.35 -0.51 0.39 0.00 -0.95 0.51 119.26 119.51 1x6h h ALA 64 Ca 0.04 0.26 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1x6h h ALA 64 Cb 0.38 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1x6h h ALA 64 CO -0.35 -0.55 -0.07 0.00 0.00 0.00 0.00 179.25 178.28 1x6h h ARG 65 N 0.13 0.94 -0.16 0.00 3.08 -0.09 -3.16 114.38 115.12 1x6h h ARG 65 Ca 0.60 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 60.36 1x6h h ARG 65 Cb 1.28 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 1x6h h ARG 65 CO -0.74 0.99 -0.15 1.25 -1.07 0.00 0.00 179.97 180.25 1x6h h HIS 66 N 0.80 -0.39 -0.91 3.04 2.76 0.37 -1.90 115.15 118.93 1x6h h HIS 66 Ca 0.14 0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.59 1x6h h HIS 66 Cb 0.61 0.20 -0.15 0.00 1.55 0.00 0.00 27.41 29.62 1x6h h HIS 66 CO 0.04 -0.22 0.22 0.00 -1.30 0.00 0.00 177.93 176.67 1x6h h ALA 67 N 0.91 1.32 -0.36 5.26 0.00 -1.29 0.41 119.26 125.52 1x6h h ALA 67 Ca 0.11 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1x6h h ALA 67 Cb 0.33 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1x6h h ALA 67 CO -0.27 -0.53 -0.31 0.22 0.00 0.00 0.00 179.25 178.36 1x6h h ASP 68 N 0.15 -1.03 -0.04 0.00 3.58 -1.40 0.21 116.42 117.90 1x6h h ASP 68 Ca 0.58 0.18 0.00 0.00 0.42 0.00 0.00 57.03 58.21 1x6h h ASP 68 Cb 1.22 0.48 0.00 0.00 1.72 0.00 0.00 39.33 42.75 1x6h h ASP 68 CO -0.72 -0.32 0.00 0.59 -2.88 0.00 0.00 179.24 175.91 1x6h n ASN 69 N -5.41 0.95 -4.84 2.28 3.02 0.18 -4.88 115.26 106.55 1x6h n ASN 69 Ca 0.00 -1.40 -0.32 0.00 -0.03 0.00 0.00 54.58 52.83 1x6h n ASN 69 Cb 0.33 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.25 2.66 0.00 0.00 0.00 -1.26 -4.94 120.51 115.71 1x6h n ALA 71 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1x6h n ALA 71 Cb 0.54 0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 3.15 -0.89 0.00 0.00 0.00 -1.26 -4.88 105.19 101.30 1x6h n GLY 72 Ca -0.00 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.64 1x6h n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6h n PRO 73 N -0.28 0.37 -3.35 1.61 -0.04 -1.25 -4.63 135.00 127.43 1x6h n PRO 73 Ca 0.00 0.06 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1x6h n PRO 73 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1x6h n PRO 73 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x6h s ASP 74 N -2.24 6.29 0.00 3.54 2.15 -1.26 -4.95 116.67 120.21 1x6h s ASP 74 Ca 0.20 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.52 1x6h s ASP 74 Cb 0.10 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1x6h s ASP 74 CO 0.20 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1x6h n GLY 75 N 4.62 2.26 3.50 2.66 0.00 -1.26 -4.98 105.19 111.99 1x6h n GLY 75 Ca -0.07 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.28 4.29 1.18 1.61 0.11 -1.26 -5.09 120.40 118.95 1x6h s VAL 76 Ca 0.00 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.70 1x6h s VAL 76 Cb 0.00 -2.96 0.28 0.00 -1.53 0.00 0.00 36.38 32.17 1x6h s VAL 76 CO 0.00 0.41 1.04 -1.83 -3.33 0.00 0.00 175.10 171.39 1x6h s GLU 77 N 1.01 -1.03 0.00 1.54 4.04 -1.26 -5.05 118.70 117.95 1x6h s GLU 77 Ca 0.03 0.44 0.00 0.00 0.04 0.00 0.00 54.97 55.48 1x6h s GLU 77 Cb -0.14 -1.57 0.00 0.00 0.02 0.00 0.00 34.13 32.43 1x6h s GLU 77 CO 0.02 -3.69 0.00 0.41 -1.84 0.00 0.00 175.26 170.16 1x6h n GLY 78 N 0.06 2.89 2.89 -3.83 0.00 -1.26 -5.17 105.19 100.77 1x6h n GLY 78 Ca 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.77 0.08 -0.04 1.61 1.03 -1.26 -5.16 118.70 114.19 1x6h s GLU 79 Ca 0.00 -0.08 -0.17 0.00 0.03 0.00 0.00 54.97 54.75 1x6h s GLU 79 Cb 0.00 -0.04 0.03 0.00 -0.80 0.00 0.00 34.13 33.32 1x6h s GLU 79 CO 0.00 0.01 0.38 1.21 -1.33 0.00 0.00 175.26 175.53 1x6h s ASN 80 N -0.15 -0.30 0.12 0.83 3.84 -1.26 -5.17 114.94 112.85 1x6h s ASN 80 Ca -0.01 0.30 -0.26 0.00 0.21 0.00 0.00 52.86 53.10 1x6h s ASN 80 Cb -0.01 0.43 0.08 0.00 -0.55 0.00 0.00 41.25 41.20 1x6h s ASN 80 CO -0.00 -0.43 1.05 -0.55 -2.79 0.00 0.00 177.10 174.38 1x6h s SER 81 N -1.06 -0.12 0.04 -4.21 0.15 -1.26 -5.10 113.70 102.13 1x6h s SER 81 Ca -0.11 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1x6h s SER 81 Cb -0.04 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1x6h s SER 81 CO 0.05 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x6h n GLY 82 N -0.51 -1.68 3.40 9.45 0.00 -1.26 -5.16 105.19 109.42 1x6h n GLY 82 Ca -0.06 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 1x6h n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6h n PRO 83 N -2.60 -3.08 -0.07 1.61 -0.04 -1.26 -5.03 135.00 124.54 1x6h n PRO 83 Ca 0.00 -1.70 -0.06 0.00 -0.04 0.00 0.00 63.50 61.71 1x6h n PRO 83 Cb 0.00 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 1x6h n PRO 83 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x6h h SER 84 N -2.67 0.00 -3.87 3.54 0.87 -2.06 -3.46 113.55 105.90 1x6h h SER 84 Ca -0.40 -0.15 -0.52 0.00 -1.23 0.00 0.00 61.79 59.49 1x6h h SER 84 Cb 1.22 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.23 1x6h h SER 84 CO 0.26 0.76 0.58 -0.55 -0.53 0.00 0.00 176.83 177.35 1x6h s SER 85 N -5.83 6.89 0.00 6.23 0.15 -1.26 -5.26 113.70 114.62 1x6h s SER 85 Ca -0.11 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1x6h s SER 85 Cb 0.01 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x6h s SER 85 CO 0.22 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.84