#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 1.13 0.03 1.61 0.15 -1.26 -5.15 113.70 110.22 1x6h s SER 2 Ca 0.00 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 1x6h s SER 2 Cb 0.00 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1x6h s SER 2 CO 0.00 -0.23 0.01 -0.94 1.20 0.00 0.00 173.24 173.28 1x6h s SER 3 N 2.03 0.30 -0.37 5.45 1.04 -1.26 -5.09 113.70 115.79 1x6h s SER 3 Ca 0.04 -0.66 0.12 0.00 0.48 0.00 0.00 55.95 55.93 1x6h s SER 3 Cb -0.12 0.17 0.38 0.00 0.10 0.00 0.00 66.02 66.55 1x6h s SER 3 CO -0.03 -0.45 0.92 0.61 0.98 0.00 0.00 173.24 175.27 1x6h n GLY 4 N 0.89 2.27 0.30 7.32 0.00 -1.26 -4.96 105.19 109.76 1x6h n GLY 4 Ca -0.19 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1x6h n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x6h h SER 5 N 2.89 0.04 -3.48 1.61 0.87 -2.02 -3.06 113.55 110.40 1x6h h SER 5 Ca -0.03 0.19 -0.78 0.00 -1.23 0.00 0.00 61.79 59.93 1x6h h SER 5 Cb 1.09 0.24 -0.26 0.00 -0.44 0.00 0.00 62.40 63.03 1x6h h SER 5 CO 0.38 -0.13 0.42 -0.55 -0.53 0.00 0.00 176.83 176.42 1x6h s SER 6 N -5.11 7.06 0.00 6.23 0.15 -1.26 -4.83 113.70 115.94 1x6h s SER 6 Ca -0.12 -3.12 0.00 0.00 0.70 0.00 0.00 55.95 53.40 1x6h s SER 6 Cb 0.25 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1x6h s SER 6 CO 0.77 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1x6h n GLY 7 N 3.45 0.71 3.97 9.45 0.00 -1.16 -5.14 105.19 116.47 1x6h n GLY 7 Ca 0.21 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 0.20 2.38 -0.16 1.61 0.52 -1.26 -5.07 118.95 117.17 1x6h s ARG 8 Ca 0.00 -1.69 -0.02 0.00 -0.52 0.00 0.00 55.73 53.49 1x6h s ARG 8 Cb 0.00 -2.46 -0.09 0.00 0.52 0.00 0.00 34.95 32.92 1x6h s ARG 8 CO 0.00 -0.62 -0.17 0.25 0.02 0.00 0.00 175.30 174.78 1x6h n THR 9 N -1.95 0.90 -2.50 0.02 -2.24 -1.26 -4.79 114.28 102.46 1x6h n THR 9 Ca 0.08 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1x6h n THR 9 Cb 0.62 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1x6h n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x6h n HIS 10 N -3.24 4.51 -4.21 4.78 -0.00 -1.26 -4.91 115.22 110.89 1x6h n HIS 10 Ca -0.30 -2.92 -0.18 0.00 -0.00 0.00 0.00 57.72 54.33 1x6h n HIS 10 Cb 0.77 -2.56 -0.15 0.00 -0.00 0.00 0.00 29.99 28.05 1x6h n HIS 10 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1x6h s THR 11 N 3.68 0.52 0.00 0.61 2.01 -1.26 -5.09 115.64 116.10 1x6h s THR 11 Ca 0.51 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1x6h s THR 11 Cb 0.05 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1x6h s THR 11 CO 0.05 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1x6h n GLY 12 N 3.21 1.15 3.80 4.40 0.00 -1.26 -5.02 105.19 111.47 1x6h n GLY 12 Ca -0.16 0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.98 -1.63 1.61 0.00 -1.26 -4.83 120.64 108.55 1x6h n GLU 13 Ca 0.00 0.66 -0.48 0.00 0.00 0.00 0.00 57.16 57.33 1x6h n GLU 13 Cb 0.00 -5.53 -0.05 0.00 0.00 0.00 0.00 31.44 25.86 1x6h n GLU 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1x6h n LYS 14 N -4.67 1.96 0.03 5.31 5.02 -1.26 -4.86 118.16 119.69 1x6h n LYS 14 Ca -0.03 0.68 -0.06 0.00 -2.02 0.00 0.00 58.31 56.88 1x6h n LYS 14 Cb 0.56 -2.69 0.13 0.00 -0.02 0.00 0.00 35.03 33.02 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 10.50 0.44 -6.36 1.97 0.13 -1.84 -3.42 132.00 133.43 1x6h h PRO 15 Ca -0.44 -0.23 -0.54 0.00 -0.87 0.00 0.00 66.00 63.91 1x6h h PRO 15 Cb 1.28 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1x6h h PRO 15 CO 0.96 0.80 1.13 0.71 -0.23 0.00 0.00 178.00 181.37 1x6h s TYR 16 N -4.14 2.20 -0.24 1.56 1.51 -1.19 -4.96 117.35 112.09 1x6h s TYR 16 Ca -0.06 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1x6h s TYR 16 Cb 0.12 -4.36 0.04 0.00 -0.11 0.00 0.00 41.96 37.65 1x6h s TYR 16 CO 0.81 -2.06 -0.11 0.00 -1.11 0.00 0.00 175.55 173.08 1x6h s ALA 17 N 6.37 2.56 0.49 3.71 0.00 -1.26 0.10 121.76 133.73 1x6h s ALA 17 Ca 0.54 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1x6h s ALA 17 Cb -0.11 -1.53 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 1x6h s ALA 17 CO 0.25 -0.84 0.57 0.00 0.00 0.00 0.00 175.76 175.74 1x6h h SER 19 N 0.62 0.02 -0.81 0.00 4.64 -1.99 -3.38 113.55 112.65 1x6h h SER 19 Ca -0.43 -0.53 0.10 0.00 -0.47 0.00 0.00 61.79 60.46 1x6h h SER 19 Cb 1.39 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.42 1x6h h SER 19 CO 0.50 1.52 0.53 0.45 -0.87 0.00 0.00 176.83 178.96 1x6h h HIS 20 N -0.94 0.80 -4.54 4.77 3.86 -1.99 -3.44 115.15 113.67 1x6h h HIS 20 Ca -0.36 0.02 -0.45 0.00 -1.16 0.00 0.00 60.37 58.43 1x6h h HIS 20 Cb 1.35 -0.26 -0.10 0.00 1.06 0.00 0.00 27.41 29.47 1x6h h HIS 20 CO 0.09 0.37 -0.36 0.00 0.86 0.00 0.00 177.93 178.89 1x6h n ASP 22 N -1.55 7.16 -4.78 0.00 2.03 -1.26 -4.39 116.55 113.75 1x6h n ASP 22 Ca -0.07 -3.81 -0.30 0.00 0.52 0.00 0.00 54.79 51.13 1x6h n ASP 22 Cb 0.48 -0.96 -0.06 0.00 -0.72 0.00 0.00 41.12 39.86 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 -3.95 2.90 0.14 -0.67 -0.14 -1.26 -4.95 119.74 111.80 1x6h s LYS 23 Ca 0.54 -0.71 0.06 0.00 -1.36 0.00 0.00 55.97 54.50 1x6h s LYS 23 Cb 0.45 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 1x6h s LYS 23 CO -0.29 0.55 -0.13 0.95 -0.76 0.00 0.00 175.35 175.67 1x6h s THR 24 N -1.45 1.34 -0.06 2.17 -4.23 -1.26 0.83 115.64 112.98 1x6h s THR 24 Ca 0.30 -1.86 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 1x6h s THR 24 Cb -0.12 -1.67 0.03 0.00 1.34 0.00 0.00 72.50 72.08 1x6h s THR 24 CO 0.22 -0.52 0.35 -0.36 -0.54 0.00 0.00 174.62 173.77 1x6h s PHE 25 N -2.53 -0.28 0.04 3.99 0.40 0.12 -4.98 117.98 114.74 1x6h s PHE 25 Ca 0.12 0.56 -0.31 0.00 -0.60 0.00 0.00 56.93 56.70 1x6h s PHE 25 Cb -0.03 0.13 -0.18 0.00 0.51 0.00 0.00 43.02 43.45 1x6h s PHE 25 CO 0.03 -0.33 1.41 -0.09 0.70 0.00 0.00 175.22 176.93 1x6h h ARG 26 N 4.40 -0.90 -6.00 0.44 2.43 -1.92 -3.14 114.38 109.69 1x6h h ARG 26 Ca -0.28 0.06 -0.60 0.00 -0.81 0.00 0.00 59.98 58.35 1x6h h ARG 26 Cb 1.18 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.89 1x6h h ARG 26 CO 0.36 -0.57 -0.51 -0.65 -1.51 0.00 0.00 179.97 177.08 1x6h s GLN 27 N -5.44 3.33 0.48 0.20 -1.52 -1.26 -4.64 119.66 110.82 1x6h s GLN 27 Ca -0.17 -0.54 0.15 0.00 -1.95 0.00 0.00 55.36 52.86 1x6h s GLN 27 Cb 0.02 -2.95 1.13 0.00 -0.22 0.00 0.00 33.01 30.99 1x6h s GLN 27 CO 0.55 0.57 2.06 1.57 -0.25 0.00 0.00 175.29 179.80 1x6h h LYS 28 N 2.84 0.00 -0.81 2.91 5.09 -1.98 -2.42 116.57 122.20 1x6h h LYS 28 Ca -0.46 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.36 1x6h h LYS 28 Cb 1.17 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 33.43 1x6h h LYS 28 CO 0.72 0.10 0.47 0.37 -2.09 0.00 0.00 179.45 179.02 1x6h h GLN 29 N 0.00 0.79 -0.14 0.07 5.75 -1.98 0.41 115.11 120.01 1x6h h GLN 29 Ca -0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1x6h h GLN 29 Cb 0.18 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1x6h h GLN 29 CO 0.01 0.52 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.64 1x6h h LEU 30 N 0.81 0.25 -1.66 -2.39 -0.00 -1.84 -1.05 115.31 109.43 1x6h h LEU 30 Ca 0.38 -0.32 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1x6h h LEU 30 Cb 0.30 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1x6h h LEU 30 CO -0.22 0.51 -0.10 0.25 -0.00 0.00 0.00 178.44 178.87 1x6h h LEU 31 N -0.01 0.00 0.09 1.67 5.85 -1.38 0.51 115.31 122.03 1x6h h LEU 31 Ca 0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1x6h h LEU 31 Cb 0.38 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.43 1x6h h LEU 31 CO 0.01 0.10 -0.73 -0.78 -0.34 0.00 0.00 178.44 176.70 1x6h h ASP 32 N 0.00 0.49 0.40 1.25 1.82 0.09 -3.19 116.42 117.27 1x6h h ASP 32 Ca -0.00 -0.88 -0.20 0.00 -0.39 0.00 0.00 57.03 55.56 1x6h h ASP 32 Cb 0.47 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1x6h h ASP 32 CO 0.01 1.32 -0.84 0.00 -1.61 0.00 0.00 179.24 178.13 1x6h h MET 33 N -0.28 0.32 -0.73 0.28 -0.00 -1.03 -3.15 114.93 110.36 1x6h h MET 33 Ca -0.12 -0.32 0.06 0.00 -0.00 0.00 0.00 59.70 59.33 1x6h h MET 33 Cb 1.51 0.08 -0.06 0.00 -0.00 0.00 0.00 31.60 33.14 1x6h h MET 33 CO 0.14 0.99 0.43 1.25 -0.00 0.00 0.00 176.91 179.72 1x6h h HIS 34 N 0.20 0.79 0.67 -0.10 -0.00 -1.01 0.26 115.15 115.96 1x6h h HIS 34 Ca -0.05 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1x6h h HIS 34 Cb 1.44 -0.25 0.01 0.00 -0.00 0.00 0.00 27.41 28.61 1x6h h HIS 34 CO 0.04 0.39 -0.32 0.35 -0.00 0.00 0.00 177.93 178.39 1x6h h PHE 35 N 0.79 -0.83 0.00 5.26 3.04 -1.57 0.24 116.94 123.87 1x6h h PHE 35 Ca 0.32 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1x6h h PHE 35 Cb 0.17 0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1x6h h PHE 35 CO -0.06 -0.48 0.00 1.63 -2.02 0.00 0.00 178.31 177.38 1x6h n LYS 36 N -5.40 0.15 -0.06 1.11 5.02 -1.13 -1.63 118.16 116.21 1x6h n LYS 36 Ca -0.12 0.18 -0.06 0.00 -2.02 0.00 0.00 58.31 56.29 1x6h n LYS 36 Cb 0.37 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.27 0.38 0.04 1.97 0.63 0.91 -2.01 116.66 117.30 1x6h n ARG 37 Ca 0.05 0.26 -0.02 0.00 -0.92 0.00 0.00 57.85 57.22 1x6h n ARG 37 Cb 0.08 -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 -0.75 -0.11 0.00 -0.14 -1.99 -0.51 -3.25 116.97 110.22 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 0.62 0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1x6h h TYR 38 CO -0.27 -0.07 0.19 0.45 -0.00 0.00 0.00 178.16 178.46 1x6h h HIS 39 N -0.31 0.00 -3.05 4.88 3.86 -1.45 -3.36 115.15 115.72 1x6h h HIS 39 Ca -0.01 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.81 1x6h h HIS 39 Cb 0.09 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.17 1x6h h HIS 39 CO 0.05 0.00 -0.71 -0.51 0.86 0.00 0.00 177.93 177.62 1x6h s ASP 40 N -3.99 1.65 0.00 2.45 1.11 -0.99 -4.98 116.67 111.92 1x6h s ASP 40 Ca -0.02 -0.23 0.11 0.00 0.18 0.00 0.00 52.55 52.58 1x6h s ASP 40 Cb 0.06 -0.05 0.66 0.00 1.07 0.00 0.00 42.92 44.66 1x6h s ASP 40 CO 0.20 -0.30 1.09 -0.81 1.18 0.00 0.00 175.17 176.53 1x6h n PRO 41 N 5.30 0.48 0.21 8.23 -0.04 -1.23 -3.19 135.00 144.77 1x6h n PRO 41 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 1x6h n PRO 41 Cb 0.49 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.51 -3.60 3.54 4.21 -1.82 -3.45 115.58 113.95 1x6h h ASN 42 Ca 0.00 0.02 -0.55 0.00 1.21 0.00 0.00 56.30 56.98 1x6h h ASN 42 Cb 0.00 0.13 0.11 0.00 -1.12 0.00 0.00 38.32 37.44 1x6h h ASN 42 CO 0.00 -0.11 0.68 0.33 -1.29 0.00 0.00 177.43 177.04 1x6h n PHE 43 N -5.07 2.69 -3.63 1.19 -0.00 -0.85 -5.01 117.46 106.78 1x6h n PHE 43 Ca -0.08 0.47 -0.13 0.00 -0.00 0.00 0.00 57.45 57.72 1x6h n PHE 43 Cb 0.24 -2.49 -0.12 0.00 -0.00 0.00 0.00 39.48 37.10 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 -0.99 -0.45 0.27 -2.13 0.11 -1.26 -4.65 120.40 111.30 1x6h s VAL 44 Ca 0.55 0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 59.53 1x6h s VAL 44 Cb -0.52 -0.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.73 1x6h s VAL 44 CO 0.62 0.08 1.26 -2.16 -3.33 0.00 0.00 175.10 171.56 1x6h s PRO 45 N 2.45 4.44 -0.39 1.54 0.04 -1.26 -4.97 135.00 136.84 1x6h s PRO 45 Ca 0.02 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1x6h s PRO 45 Cb -0.12 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1x6h s PRO 45 CO -0.10 -0.11 1.27 0.00 0.04 0.00 0.00 177.00 178.10 1x6h s ALA 46 N -0.71 3.20 -0.27 8.56 0.00 -1.26 -4.99 121.76 126.29 1x6h s ALA 46 Ca 0.50 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1x6h s ALA 46 Cb -0.37 -3.86 0.07 0.00 0.00 0.00 0.00 23.12 18.96 1x6h s ALA 46 CO 0.45 -2.11 -0.06 0.00 0.00 0.00 0.00 175.76 174.04 1x6h s ALA 47 N 4.69 2.45 -0.27 0.00 0.00 -1.26 -4.54 121.76 122.83 1x6h s ALA 47 Ca 0.54 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 1x6h s ALA 47 Cb -0.12 -1.62 0.09 0.00 0.00 0.00 0.00 23.12 21.46 1x6h s ALA 47 CO 0.28 -1.30 0.08 -0.06 0.00 0.00 0.00 175.76 174.76 1x6h s PHE 48 N 1.15 1.22 -0.10 0.00 0.08 -1.18 -5.02 117.98 114.12 1x6h s PHE 48 Ca -0.04 -1.28 -0.10 0.00 0.12 0.00 0.00 56.93 55.64 1x6h s PHE 48 Cb -0.19 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1x6h s PHE 48 CO -0.06 -0.78 0.21 0.08 -0.10 0.00 0.00 175.22 174.57 1x6h s VAL 49 N 1.79 5.37 0.20 -0.44 1.01 -1.26 -0.40 120.40 126.68 1x6h s VAL 49 Ca 0.06 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1x6h s VAL 49 Cb -0.17 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1x6h s VAL 49 CO -0.22 0.58 1.37 0.00 0.00 0.00 0.00 175.10 176.84 1x6h n SER 51 N 2.75 1.34 -0.09 0.00 7.64 -1.26 -2.16 113.62 121.84 1x6h n SER 51 Ca 0.07 -1.30 -0.11 0.00 1.01 0.00 0.00 58.87 58.54 1x6h n SER 51 Cb 0.42 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.09 0.50 -0.12 1.43 5.02 -1.26 -4.80 118.16 118.84 1x6h n LYS 52 Ca 0.17 0.42 -0.20 0.00 -2.02 0.00 0.00 58.31 56.67 1x6h n LYS 52 Cb 0.35 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.66 3.47 0.00 0.00 -0.92 -4.46 105.19 106.99 1x6h n GLY 54 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1x6h n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x6h n LYS 55 N -0.25 -0.52 -4.95 1.61 5.02 -1.26 -4.72 118.16 113.10 1x6h n LYS 55 Ca 0.00 -2.19 -0.26 0.00 -2.02 0.00 0.00 58.31 53.84 1x6h n LYS 55 Cb 0.00 -0.86 -0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1x6h n LYS 55 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1x6h s THR 56 N -3.11 1.54 0.33 -0.18 -4.23 -1.26 -1.09 115.64 107.63 1x6h s THR 56 Ca 0.63 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1x6h s THR 56 Cb -0.03 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 1x6h s THR 56 CO 0.43 0.44 0.21 0.49 -0.54 0.00 0.00 174.62 175.65 1x6h n PHE 57 N 2.67 -0.42 0.00 3.99 3.01 0.46 -4.98 117.46 122.19 1x6h n PHE 57 Ca -0.15 -2.48 0.00 0.00 1.01 0.00 0.00 57.45 55.82 1x6h n PHE 57 Cb 0.53 0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1x6h n PHE 57 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1x6h n THR 58 N -0.67 0.00 -3.97 4.37 5.66 -1.26 -3.13 114.28 115.28 1x6h n THR 58 Ca 0.03 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.68 1x6h n THR 58 Cb 0.55 -0.46 -0.09 0.00 -1.55 0.00 0.00 70.33 68.78 1x6h n THR 58 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1x6h s ARG 59 N -1.66 3.95 0.10 1.09 3.52 -1.26 -4.69 118.95 120.00 1x6h s ARG 59 Ca 0.00 -0.32 -0.34 0.00 -0.13 0.00 0.00 55.73 54.94 1x6h s ARG 59 Cb 0.00 -3.23 -0.15 0.00 -1.56 0.00 0.00 34.95 30.01 1x6h s ARG 59 CO 0.00 0.32 1.57 0.00 -0.81 0.00 0.00 175.30 176.38 1x6h h ARG 60 N 6.55 -0.82 -0.37 5.12 2.47 -1.98 -1.63 114.38 123.72 1x6h h ARG 60 Ca -0.39 0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.43 1x6h h ARG 60 Cb 1.17 0.19 -0.08 0.00 -1.65 0.00 0.00 29.97 29.60 1x6h h ARG 60 CO 0.70 -0.55 -0.54 -0.97 0.56 0.00 0.00 179.97 179.17 1x6h h ASN 61 N -0.86 -1.80 -0.51 7.04 -0.73 -1.98 0.48 115.58 117.23 1x6h h ASN 61 Ca -0.03 0.23 0.07 0.00 1.87 0.00 0.00 56.30 58.45 1x6h h ASN 61 Cb 0.79 0.73 -0.10 0.00 0.27 0.00 0.00 38.32 40.02 1x6h h ASN 61 CO -0.15 -0.40 -0.47 0.74 -0.37 0.00 0.00 177.43 176.77 1x6h h THR 62 N -0.41 0.06 0.35 -3.57 2.02 -1.95 0.17 112.91 109.58 1x6h h THR 62 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1x6h h THR 62 Cb 0.59 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1x6h h THR 62 CO -0.56 0.00 -0.19 -0.03 0.37 0.00 0.00 175.52 175.11 1x6h h MET 63 N -0.29 -0.48 -0.90 6.66 1.85 -0.55 -0.61 114.93 120.61 1x6h h MET 63 Ca 0.14 0.03 0.18 0.00 -0.61 0.00 0.00 59.70 59.45 1x6h h MET 63 Cb 0.57 0.11 -0.17 0.00 0.43 0.00 0.00 31.60 32.54 1x6h h MET 63 CO -0.65 -0.32 -0.21 0.00 -0.40 0.00 0.00 176.91 175.33 1x6h n ALA 64 N -2.31 0.23 -0.21 0.39 0.00 0.16 0.13 120.51 118.90 1x6h n ALA 64 Ca -0.06 0.99 -0.07 0.00 0.00 0.00 0.00 53.44 54.30 1x6h n ALA 64 Cb 0.20 -0.60 0.03 0.00 0.00 0.00 0.00 19.45 19.08 1x6h n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6h h ARG 65 N 0.00 0.85 -0.90 0.00 3.08 -0.56 -2.55 114.38 114.30 1x6h h ARG 65 Ca 0.44 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.45 1x6h h ARG 65 Cb 0.69 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 1x6h h ARG 65 CO -0.93 0.69 0.58 1.25 -1.07 0.00 0.00 179.97 180.49 1x6h h HIS 66 N 0.81 1.01 -0.80 3.04 2.76 0.26 -1.70 115.15 120.54 1x6h h HIS 66 Ca 0.21 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.50 1x6h h HIS 66 Cb 0.11 -0.33 -0.07 0.00 1.55 0.00 0.00 27.41 28.66 1x6h h HIS 66 CO -0.00 0.50 0.44 0.00 -1.30 0.00 0.00 177.93 177.56 1x6h h ALA 67 N 1.53 1.13 0.13 5.26 0.00 -0.72 0.34 119.26 126.94 1x6h h ALA 67 Ca 0.40 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x6h h ALA 67 Cb 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1x6h h ALA 67 CO -0.16 0.04 -0.42 0.22 0.00 0.00 0.00 179.25 178.92 1x6h h ASP 68 N 0.72 -1.24 1.01 0.00 3.58 -1.31 -0.84 116.42 118.35 1x6h h ASP 68 Ca 0.39 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1x6h h ASP 68 Cb 0.40 0.46 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1x6h h ASP 68 CO -0.27 -0.49 0.00 0.78 -2.88 0.00 0.00 179.24 176.38 1x6h h ASN 69 N -0.66 0.00 -3.97 2.28 2.35 -1.48 -3.44 115.58 110.66 1x6h h ASN 69 Ca 0.02 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.32 1x6h h ASN 69 Cb 0.68 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1x6h h ASN 69 CO -0.24 0.00 0.33 0.00 -1.65 0.00 0.00 177.43 175.87 1x6h n ALA 71 N -0.16 2.00 0.00 0.00 0.00 -1.26 -4.88 120.51 116.20 1x6h n ALA 71 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1x6h n ALA 71 Cb 0.52 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 3.47 -1.11 3.55 0.00 0.00 -1.26 -4.80 105.19 105.05 1x6h n GLY 72 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.95 2.59 0.23 1.61 0.04 -1.25 -4.55 135.00 131.73 1x6h s PRO 73 Ca 0.00 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.24 1x6h s PRO 73 Cb 0.00 -4.69 -0.03 0.00 0.04 0.00 0.00 34.50 29.82 1x6h s PRO 73 CO 0.00 -3.02 0.23 -0.51 0.04 0.00 0.00 177.00 173.74 1x6h s ASP 74 N 8.09 0.37 0.25 6.66 1.01 -1.26 -5.10 116.67 126.68 1x6h s ASP 74 Ca 0.69 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 52.57 1x6h s ASP 74 Cb -0.10 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.28 1x6h s ASP 74 CO 0.11 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.16 1x6h n GLY 75 N -0.35 0.67 3.89 0.21 0.00 -1.26 -4.80 105.19 103.54 1x6h n GLY 75 Ca 0.02 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 5.43 0.00 1.61 0.11 -1.26 -4.98 120.40 121.32 1x6h s VAL 76 Ca 0.00 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1x6h s VAL 76 Cb 0.00 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1x6h s VAL 76 CO 0.00 0.45 0.00 -1.84 -3.33 0.00 0.00 175.10 170.38 1x6h n GLU 77 N 1.38 0.00 0.00 1.54 0.00 -1.26 -5.06 120.64 117.24 1x6h n GLU 77 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 1x6h n GLU 77 Cb 0.53 -0.55 0.00 0.00 0.00 0.00 0.00 31.44 31.43 1x6h n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x6h n GLY 78 N 2.12 1.61 3.64 -1.84 0.00 -1.26 -4.59 105.19 104.86 1x6h n GLY 78 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.62 -0.06 1.61 2.12 -1.26 -5.06 118.70 116.68 1x6h s GLU 79 Ca 0.00 1.31 -0.03 0.00 0.36 0.00 0.00 54.97 56.61 1x6h s GLU 79 Cb 0.00 0.51 -0.03 0.00 0.26 0.00 0.00 34.13 34.87 1x6h s GLU 79 CO 0.00 -0.17 -0.07 -1.71 -0.54 0.00 0.00 175.26 172.77 1x6h n ASN 80 N 4.87 0.66 -4.64 -1.70 4.05 -1.26 -5.04 115.26 112.20 1x6h n ASN 80 Ca -0.16 0.06 -0.40 0.00 0.45 0.00 0.00 54.58 54.53 1x6h n ASN 80 Cb 0.54 -0.16 0.02 0.00 1.23 0.00 0.00 39.78 41.41 1x6h n ASN 80 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1x6h n SER 81 N -3.21 1.59 0.00 1.20 2.88 -1.26 -4.60 113.62 110.23 1x6h n SER 81 Ca -0.11 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1x6h n SER 81 Cb 0.58 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 1.08 0.74 0.00 0.46 0.00 -1.26 -4.98 105.19 101.24 1x6h n GLY 82 Ca 0.09 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.01 -0.33 1.61 -0.04 -1.26 -3.79 135.00 131.20 1x6h n PRO 83 Ca 0.00 0.25 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1x6h n PRO 83 Cb 0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1x6h n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x6h n SER 84 N -1.49 -0.38 -4.63 3.54 7.64 -1.26 -4.44 113.62 112.60 1x6h n SER 84 Ca 0.04 1.55 -0.58 0.00 1.01 0.00 0.00 58.87 60.89 1x6h n SER 84 Cb 0.16 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 1x6h n SER 84 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6h n SER 85 N -5.44 1.32 0.00 6.43 2.88 -1.25 -5.33 113.62 112.23 1x6h n SER 85 Ca 0.13 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1x6h n SER 85 Cb 0.43 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1x6h n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42