#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 -1.02 0.29 1.61 0.15 -1.26 -5.17 113.70 108.29 1x6h s SER 2 Ca 0.00 1.51 0.07 0.00 0.70 0.00 0.00 55.95 58.22 1x6h s SER 2 Cb 0.00 2.03 -0.06 0.00 -1.71 0.00 0.00 66.02 66.28 1x6h s SER 2 CO 0.00 -0.22 -0.05 -0.44 1.20 0.00 0.00 173.24 173.72 1x6h s SER 3 N 2.61 2.83 0.12 5.45 0.01 -1.26 -5.09 113.70 118.37 1x6h s SER 3 Ca -0.06 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1x6h s SER 3 Cb -0.11 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1x6h s SER 3 CO -0.19 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1x6h n GLY 4 N -0.61 -2.78 3.60 3.44 0.00 -1.26 -4.77 105.19 102.80 1x6h n GLY 4 Ca -0.05 -1.37 -0.50 0.00 0.00 0.00 0.00 46.02 44.11 1x6h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6h n SER 5 N -2.42 2.89 -4.87 1.61 2.88 -1.26 -4.94 113.62 107.51 1x6h n SER 5 Ca -0.02 0.71 -0.30 0.00 -1.33 0.00 0.00 58.87 57.93 1x6h n SER 5 Cb 0.13 -1.33 0.05 0.00 -0.75 0.00 0.00 64.21 62.31 1x6h n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x6h s SER 6 N 5.60 5.27 0.00 -3.46 0.01 -1.26 -4.95 113.70 114.91 1x6h s SER 6 Ca 1.00 1.16 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1x6h s SER 6 Cb -0.74 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1x6h s SER 6 CO 0.51 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1x6h n GLY 7 N -2.85 1.15 3.82 3.44 0.00 -1.26 -5.17 105.19 104.31 1x6h n GLY 7 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1x6h n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x6h s ARG 8 N -1.06 2.06 -0.77 1.61 1.70 -1.26 -4.95 118.95 116.27 1x6h s ARG 8 Ca 0.00 -1.31 -0.07 0.00 -0.47 0.00 0.00 55.73 53.89 1x6h s ARG 8 Cb 0.00 0.59 0.07 0.00 -0.57 0.00 0.00 34.95 35.03 1x6h s ARG 8 CO 0.00 -0.96 0.16 -2.37 -1.08 0.00 0.00 175.30 171.05 1x6h n THR 9 N -0.55 -0.17 0.08 4.99 5.66 -1.26 -4.54 114.28 118.50 1x6h n THR 9 Ca -0.07 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1x6h n THR 9 Cb 0.60 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1x6h n THR 9 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1x6h n HIS 10 N -2.25 -1.21 -4.03 1.09 -0.00 -1.26 -5.15 115.22 102.40 1x6h n HIS 10 Ca -0.02 0.21 -0.09 0.00 -0.00 0.00 0.00 57.72 57.82 1x6h n HIS 10 Cb 0.24 0.40 -0.08 0.00 -0.00 0.00 0.00 29.99 30.55 1x6h n HIS 10 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1x6h s THR 11 N -1.63 0.09 0.00 3.57 -4.23 -1.26 -5.14 115.64 107.03 1x6h s THR 11 Ca 0.00 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1x6h s THR 11 Cb 0.00 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.97 1x6h s THR 11 CO 0.00 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1x6h n GLY 12 N -0.14 2.98 3.05 3.99 0.00 -1.26 -4.91 105.19 108.89 1x6h n GLY 12 Ca -0.07 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1x6h n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6h n GLU 13 N 0.50 0.84 -3.74 1.61 -0.58 -1.26 -5.12 120.64 112.89 1x6h n GLU 13 Ca 0.00 -3.12 -0.37 0.00 -0.42 0.00 0.00 57.16 53.26 1x6h n GLU 13 Cb 0.00 1.11 -0.11 0.00 -0.57 0.00 0.00 31.44 31.88 1x6h n GLU 13 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x6h s LYS 14 N -3.50 2.21 0.34 3.49 1.02 -1.26 -4.58 119.74 117.46 1x6h s LYS 14 Ca 0.06 -2.04 0.13 0.00 0.02 0.00 0.00 55.97 54.14 1x6h s LYS 14 Cb 0.00 -3.65 0.59 0.00 -0.52 0.00 0.00 37.83 34.25 1x6h s LYS 14 CO 0.04 -1.11 1.74 -1.00 -0.92 0.00 0.00 175.35 174.10 1x6h h PRO 15 N 7.75 0.00 -6.34 -1.68 0.13 -1.80 -3.40 132.00 126.67 1x6h h PRO 15 Ca -0.10 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.48 1x6h h PRO 15 Cb 1.02 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.07 1x6h h PRO 15 CO 0.71 0.46 1.02 0.71 -0.23 0.00 0.00 178.00 180.68 1x6h s TYR 16 N -3.90 2.34 -0.15 1.56 1.51 -0.99 -4.96 117.35 112.77 1x6h s TYR 16 Ca -0.02 -0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1x6h s TYR 16 Cb 0.13 -4.60 -0.03 0.00 -0.11 0.00 0.00 41.96 37.35 1x6h s TYR 16 CO 0.73 -1.99 0.00 0.00 -1.11 0.00 0.00 175.55 173.18 1x6h s ALA 17 N 5.55 3.19 0.62 3.71 0.00 -1.26 -0.38 121.76 133.19 1x6h s ALA 17 Ca 0.35 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1x6h s ALA 17 Cb -0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1x6h s ALA 17 CO 0.16 0.29 1.09 0.00 0.00 0.00 0.00 175.76 177.30 1x6h n SER 19 N -2.19 1.94 -0.23 0.00 3.41 -1.26 -4.45 113.62 110.84 1x6h n SER 19 Ca 0.10 0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 1x6h n SER 19 Cb 0.52 -0.84 0.10 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.86 0.66 -1.05 7.33 3.86 -1.99 -3.44 115.15 119.67 1x6h h HIS 20 Ca -0.56 0.03 -0.64 0.00 -1.16 0.00 0.00 60.37 58.03 1x6h h HIS 20 Cb 1.56 -0.20 -0.13 0.00 1.06 0.00 0.00 27.41 29.70 1x6h h HIS 20 CO -0.01 0.31 -0.52 0.00 0.86 0.00 0.00 177.93 178.57 1x6h n ASP 22 N -1.26 7.47 -4.67 0.00 2.03 -1.26 -4.38 116.55 114.48 1x6h n ASP 22 Ca -0.15 -3.78 -0.33 0.00 0.52 0.00 0.00 54.79 51.05 1x6h n ASP 22 Cb 0.66 -1.07 -0.09 0.00 -0.72 0.00 0.00 41.12 39.90 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 -3.87 2.76 0.21 -0.67 -0.14 -1.26 -4.98 119.74 111.79 1x6h s LYS 23 Ca 0.54 -0.62 0.09 0.00 -1.36 0.00 0.00 55.97 54.62 1x6h s LYS 23 Cb 0.44 -2.65 -0.05 0.00 -1.68 0.00 0.00 37.83 33.90 1x6h s LYS 23 CO -0.36 0.62 -0.17 0.95 -0.76 0.00 0.00 175.35 175.63 1x6h s THR 24 N -1.07 1.97 0.04 2.17 -4.23 -1.26 -0.25 115.64 113.01 1x6h s THR 24 Ca 0.19 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 1x6h s THR 24 Cb -0.11 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1x6h s THR 24 CO 0.10 -0.44 0.26 -0.36 -0.54 0.00 0.00 174.62 173.64 1x6h s PHE 25 N -2.51 -0.04 -0.08 3.99 0.40 0.48 -4.99 117.98 115.23 1x6h s PHE 25 Ca 0.22 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.26 1x6h s PHE 25 Cb -0.04 0.05 -0.13 0.00 0.51 0.00 0.00 43.02 43.41 1x6h s PHE 25 CO 0.09 -0.47 0.60 0.07 0.70 0.00 0.00 175.22 176.20 1x6h h ARG 26 N 3.31 -0.14 -5.55 0.44 0.11 -1.86 -2.61 114.38 108.08 1x6h h ARG 26 Ca -0.32 0.01 -0.65 0.00 0.10 0.00 0.00 59.98 59.13 1x6h h ARG 26 Cb 1.20 0.03 -0.12 0.00 1.11 0.00 0.00 29.97 32.19 1x6h h ARG 26 CO 0.47 0.27 -0.54 -0.65 0.10 0.00 0.00 179.97 179.62 1x6h s GLN 27 N -2.67 3.61 0.24 0.08 -0.21 -1.26 -4.57 119.66 114.88 1x6h s GLN 27 Ca -0.10 -0.27 -0.11 0.00 0.02 0.00 0.00 55.36 54.90 1x6h s GLN 27 Cb -0.00 -3.14 0.35 0.00 1.00 0.00 0.00 33.01 31.21 1x6h s GLN 27 CO 0.37 0.54 1.60 -0.22 -2.12 0.00 0.00 175.29 175.46 1x6h h LYS 28 N 5.78 0.00 -1.15 2.91 3.64 -1.97 0.35 116.57 126.14 1x6h h LYS 28 Ca -0.46 -0.00 0.43 0.00 -1.27 0.00 0.00 60.65 59.34 1x6h h LYS 28 Cb 1.19 -0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 1x6h h LYS 28 CO 0.64 0.00 0.70 0.94 -2.27 0.00 0.00 179.45 179.45 1x6h n GLN 29 N -5.52 -0.04 0.03 1.90 -0.06 -1.26 0.84 117.38 113.27 1x6h n GLN 29 Ca 0.12 1.23 -0.13 0.00 -2.00 0.00 0.00 57.00 56.22 1x6h n GLN 29 Cb 0.41 -2.33 -0.09 0.00 -4.06 0.00 0.00 30.24 24.17 1x6h n GLN 29 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1x6h h LEU 30 N 0.00 -0.08 -1.64 1.69 -0.00 -0.71 -0.75 115.31 113.81 1x6h h LEU 30 Ca 0.82 -0.36 -0.02 0.00 -0.00 0.00 0.00 57.88 58.32 1x6h h LEU 30 Cb 2.44 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 43.12 1x6h h LEU 30 CO -0.56 0.33 -0.08 0.25 -0.00 0.00 0.00 178.44 178.38 1x6h h LEU 31 N -0.52 0.00 0.11 1.67 5.85 0.45 0.14 115.31 123.02 1x6h h LEU 31 Ca -0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1x6h h LEU 31 Cb 0.44 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.49 1x6h h LEU 31 CO 0.02 0.08 -0.81 -0.78 -0.34 0.00 0.00 178.44 176.61 1x6h h ASP 32 N 0.00 0.52 0.75 1.25 1.82 0.19 -3.23 116.42 117.72 1x6h h ASP 32 Ca -0.00 -0.90 -0.21 0.00 -0.39 0.00 0.00 57.03 55.53 1x6h h ASP 32 Cb 0.48 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1x6h h ASP 32 CO 0.01 1.37 -0.96 0.00 -1.61 0.00 0.00 179.24 178.05 1x6h h MET 33 N -0.26 0.12 -0.56 0.28 -0.00 -0.97 -3.18 114.93 110.35 1x6h h MET 33 Ca -0.13 -0.16 0.05 0.00 -0.00 0.00 0.00 59.70 59.46 1x6h h MET 33 Cb 1.60 0.05 -0.05 0.00 -0.00 0.00 0.00 31.60 33.20 1x6h h MET 33 CO 0.15 0.99 0.28 1.25 -0.00 0.00 0.00 176.91 179.58 1x6h h HIS 34 N 0.05 0.52 0.51 -0.10 -0.00 -0.84 0.17 115.15 115.45 1x6h h HIS 34 Ca -0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 1x6h h HIS 34 Cb 1.65 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.91 1x6h h HIS 34 CO 0.02 0.24 -0.24 0.35 -0.00 0.00 0.00 177.93 178.30 1x6h h PHE 35 N 0.54 -0.63 0.00 5.26 3.04 -1.62 0.21 116.94 123.74 1x6h h PHE 35 Ca 0.25 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1x6h h PHE 35 Cb 0.18 0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1x6h h PHE 35 CO -0.10 -0.31 0.00 1.63 -2.02 0.00 0.00 178.31 177.51 1x6h n LYS 36 N -5.29 0.04 -0.07 1.11 5.02 -1.14 -1.27 118.16 116.57 1x6h n LYS 36 Ca -0.11 0.31 -0.06 0.00 -2.02 0.00 0.00 58.31 56.43 1x6h n LYS 36 Cb 0.32 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.38 0.40 0.02 1.97 0.63 0.58 -1.73 116.66 117.15 1x6h n ARG 37 Ca 0.02 0.26 -0.01 0.00 -0.92 0.00 0.00 57.85 57.19 1x6h n ARG 37 Cb 0.05 -1.31 -0.01 0.00 0.45 0.00 0.00 32.46 31.64 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 -0.07 -0.00 -0.14 -1.99 -0.52 -3.30 116.97 110.15 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 0.68 0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.43 1x6h h TYR 38 CO -0.29 -0.05 0.21 0.45 -0.00 0.00 0.00 178.16 178.48 1x6h h HIS 39 N -0.32 0.00 -3.26 4.88 3.86 -1.33 -3.36 115.15 115.62 1x6h h HIS 39 Ca -0.01 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.72 1x6h h HIS 39 Cb 0.06 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.14 1x6h h HIS 39 CO 0.03 0.00 -0.77 0.34 0.86 0.00 0.00 177.93 178.39 1x6h s ASP 40 N -4.71 2.25 0.00 2.45 2.15 -0.46 -4.97 116.67 113.38 1x6h s ASP 40 Ca -0.04 -0.44 0.11 0.00 0.43 0.00 0.00 52.55 52.61 1x6h s ASP 40 Cb 0.10 -0.56 0.65 0.00 -0.30 0.00 0.00 42.92 42.81 1x6h s ASP 40 CO 0.33 -0.23 1.08 -0.81 -0.17 0.00 0.00 175.17 175.37 1x6h n PRO 41 N 5.08 0.49 0.11 4.34 -0.04 -1.25 -3.18 135.00 140.54 1x6h n PRO 41 Ca -0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1x6h n PRO 41 Cb 0.49 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.26 -3.73 3.54 -0.26 -1.83 -3.45 115.58 109.60 1x6h h ASN 42 Ca 0.00 0.01 -0.54 0.00 -0.56 0.00 0.00 56.30 55.21 1x6h h ASN 42 Cb 0.00 0.07 0.10 0.00 -1.06 0.00 0.00 38.32 37.43 1x6h h ASN 42 CO 0.00 -0.05 0.80 0.33 -1.06 0.00 0.00 177.43 177.45 1x6h n PHE 43 N -3.57 2.95 -3.46 1.19 -0.00 -0.71 -5.01 117.46 108.86 1x6h n PHE 43 Ca -0.04 0.39 -0.13 0.00 -0.00 0.00 0.00 57.45 57.67 1x6h n PHE 43 Cb 0.12 -2.55 -0.11 0.00 -0.00 0.00 0.00 39.48 36.94 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 -0.81 -0.47 0.20 -2.13 0.11 -1.26 -4.56 120.40 111.49 1x6h s VAL 44 Ca 0.56 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.28 1x6h s VAL 44 Cb -0.48 -0.70 -0.09 0.00 -1.53 0.00 0.00 36.38 33.58 1x6h s VAL 44 CO 0.60 -0.12 1.30 -2.16 -3.33 0.00 0.00 175.10 171.39 1x6h s PRO 45 N 2.44 4.40 -0.44 1.54 0.04 -1.26 -4.96 135.00 136.76 1x6h s PRO 45 Ca 0.08 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 1x6h s PRO 45 Cb -0.15 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1x6h s PRO 45 CO -0.13 -0.23 1.47 0.00 0.04 0.00 0.00 177.00 178.15 1x6h s ALA 46 N 0.03 2.95 -0.36 8.56 0.00 -1.26 -4.98 121.76 126.70 1x6h s ALA 46 Ca 0.56 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1x6h s ALA 46 Cb -0.36 -3.99 0.07 0.00 0.00 0.00 0.00 23.12 18.83 1x6h s ALA 46 CO 0.39 -2.58 0.12 0.00 0.00 0.00 0.00 175.76 173.69 1x6h s ALA 47 N 5.84 3.04 -0.28 0.00 0.00 -1.26 -4.48 121.76 124.62 1x6h s ALA 47 Ca 0.62 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1x6h s ALA 47 Cb -0.14 -2.27 0.08 0.00 0.00 0.00 0.00 23.12 20.79 1x6h s ALA 47 CO 0.31 -1.50 0.00 -0.06 0.00 0.00 0.00 175.76 174.51 1x6h s PHE 48 N 1.29 2.65 -0.12 0.00 0.40 -1.02 -5.02 117.98 116.16 1x6h s PHE 48 Ca 0.01 -2.10 -0.12 0.00 -0.60 0.00 0.00 56.93 54.12 1x6h s PHE 48 Cb -0.21 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1x6h s PHE 48 CO -0.00 -0.85 0.25 0.08 0.70 0.00 0.00 175.22 175.40 1x6h s VAL 49 N 1.30 5.32 1.11 -0.44 1.01 -1.26 -1.07 120.40 126.37 1x6h s VAL 49 Ca 0.02 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1x6h s VAL 49 Cb -0.19 -3.56 0.20 0.00 0.00 0.00 0.00 36.38 32.83 1x6h s VAL 49 CO -0.10 0.50 0.36 0.00 0.00 0.00 0.00 175.10 175.86 1x6h n SER 51 N -2.16 3.17 0.00 0.00 2.88 -1.26 -4.29 113.62 111.96 1x6h n SER 51 Ca 0.06 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.41 1x6h n SER 51 Cb 0.45 0.60 -0.14 0.00 -0.75 0.00 0.00 64.21 64.37 1x6h n SER 51 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x6h h LYS 52 N 0.00 0.20 0.00 -1.46 1.57 -1.94 -3.42 116.57 111.52 1x6h h LYS 52 Ca 0.00 -0.34 -0.24 0.00 -1.87 0.00 0.00 60.65 58.21 1x6h h LYS 52 Cb 0.08 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1x6h h LYS 52 CO 0.00 1.16 -1.81 0.00 -0.57 0.00 0.00 179.45 178.23 1x6h n GLY 54 N 2.24 1.90 3.83 0.00 0.00 -1.26 -4.48 105.19 107.42 1x6h n GLY 54 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.13 2.29 -0.09 1.61 1.02 -1.26 -4.64 119.74 118.53 1x6h s LYS 55 Ca 0.00 0.55 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 1x6h s LYS 55 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1x6h s LYS 55 CO 0.00 -1.46 -0.04 0.95 -0.92 0.00 0.00 175.35 173.88 1x6h s THR 56 N -3.24 3.91 0.03 2.17 -4.23 -1.26 0.26 115.64 113.28 1x6h s THR 56 Ca 0.60 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 1x6h s THR 56 Cb -0.13 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1x6h s THR 56 CO 0.53 0.58 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.71 1x6h s PHE 57 N -0.59 1.07 0.04 3.99 0.40 -0.23 -4.97 117.98 117.70 1x6h s PHE 57 Ca 0.09 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 1x6h s PHE 57 Cb -0.12 -0.64 -0.19 0.00 0.51 0.00 0.00 43.02 42.58 1x6h s PHE 57 CO 0.02 0.01 1.21 1.15 0.70 0.00 0.00 175.22 178.31 1x6h h THR 58 N 4.59 1.36 -2.52 0.64 2.02 -1.84 -2.70 112.91 114.46 1x6h h THR 58 Ca -0.36 -1.90 -0.56 0.00 0.77 0.00 0.00 66.41 64.35 1x6h h THR 58 Cb 1.18 2.25 -0.09 0.00 -1.74 0.00 0.00 68.15 69.76 1x6h h THR 58 CO 0.45 0.57 -0.61 -0.13 0.37 0.00 0.00 175.52 176.17 1x6h s ARG 59 N -3.59 2.58 -0.07 6.66 0.52 -1.26 -4.39 118.95 119.40 1x6h s ARG 59 Ca -0.12 -1.13 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 1x6h s ARG 59 Cb 0.06 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 33.05 1x6h s ARG 59 CO 0.84 0.42 0.46 -0.09 0.02 0.00 0.00 175.30 176.95 1x6h h ARG 60 N 2.17 -0.25 -0.83 3.54 2.43 -1.92 -3.11 114.38 116.42 1x6h h ARG 60 Ca -0.47 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 58.88 1x6h h ARG 60 Cb 1.22 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.67 1x6h h ARG 60 CO 0.60 -0.04 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.90 1x6h h ASN 61 N -1.03 -0.80 -0.89 -3.80 4.21 -1.99 0.55 115.58 111.82 1x6h h ASN 61 Ca -0.03 0.25 0.09 0.00 1.21 0.00 0.00 56.30 57.82 1x6h h ASN 61 Cb 0.33 0.52 -0.07 0.00 -1.12 0.00 0.00 38.32 37.98 1x6h h ASN 61 CO 0.04 -0.28 0.54 0.74 -1.29 0.00 0.00 177.43 177.19 1x6h h THR 62 N -0.01 0.97 0.08 2.81 2.02 -2.00 -1.70 112.91 115.08 1x6h h THR 62 Ca 0.39 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1x6h h THR 62 Cb 0.60 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1x6h h THR 62 CO -0.85 0.17 -0.04 -0.03 0.37 0.00 0.00 175.52 175.14 1x6h h MET 63 N 0.93 -0.10 -0.76 6.66 1.85 -0.02 -2.29 114.93 121.21 1x6h h MET 63 Ca 0.42 0.01 0.17 0.00 -0.61 0.00 0.00 59.70 59.69 1x6h h MET 63 Cb 0.31 0.02 -0.12 0.00 0.43 0.00 0.00 31.60 32.25 1x6h h MET 63 CO -0.22 0.34 0.14 0.00 -0.40 0.00 0.00 176.91 176.77 1x6h h ALA 64 N 0.29 0.95 -0.26 0.39 0.00 -0.22 -0.14 119.26 120.27 1x6h h ALA 64 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1x6h h ALA 64 Cb 0.48 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x6h h ALA 64 CO 0.02 -0.38 0.03 0.00 0.00 0.00 0.00 179.25 178.91 1x6h h ARG 65 N 0.22 0.45 -0.65 0.00 3.08 -1.33 -3.05 114.38 113.08 1x6h h ARG 65 Ca 0.43 -0.13 0.10 0.00 0.07 0.00 0.00 59.98 60.45 1x6h h ARG 65 Cb 0.77 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.70 1x6h h ARG 65 CO -0.57 0.58 0.27 1.25 -1.07 0.00 0.00 179.97 180.43 1x6h h HIS 66 N 0.24 0.47 -0.58 3.04 2.76 -0.49 -2.15 115.15 118.45 1x6h h HIS 66 Ca 0.08 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.39 1x6h h HIS 66 Cb 0.37 -0.11 -0.11 0.00 1.55 0.00 0.00 27.41 29.10 1x6h h HIS 66 CO 0.03 0.12 -0.25 0.00 -1.30 0.00 0.00 177.93 176.53 1x6h h ALA 67 N 1.44 0.16 -0.68 5.26 0.00 -1.01 0.35 119.26 124.78 1x6h h ALA 67 Ca 0.33 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.52 1x6h h ALA 67 Cb 0.41 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1x6h h ALA 67 CO -0.31 -0.56 -0.51 -0.44 0.00 0.00 0.00 179.25 177.43 1x6h h ASP 68 N -0.10 -1.78 1.03 0.00 5.19 -1.42 0.74 116.42 120.08 1x6h h ASP 68 Ca 0.26 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1x6h h ASP 68 Cb 0.51 0.79 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1x6h h ASP 68 CO -0.65 -0.32 0.00 0.78 -3.12 0.00 0.00 179.24 175.93 1x6h h ASN 69 N -0.19 0.00 -4.11 6.45 2.35 -1.34 -3.44 115.58 115.29 1x6h h ASN 69 Ca 0.16 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.45 1x6h h ASN 69 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1x6h h ASN 69 CO -0.76 0.00 0.36 0.00 -1.65 0.00 0.00 177.43 175.38 1x6h n ALA 71 N -1.04 2.24 -3.29 0.00 0.00 -1.26 -4.89 120.51 112.27 1x6h n ALA 71 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1x6h n ALA 71 Cb 0.54 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 2.55 0.67 3.68 0.00 0.00 -1.26 -4.78 105.19 106.06 1x6h n GLY 72 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.01 0.52 -0.23 1.61 0.04 -1.19 -4.27 135.00 129.48 1x6h s PRO 73 Ca 0.08 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 1x6h s PRO 73 Cb -0.00 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 32.91 1x6h s PRO 73 CO 0.00 -2.68 0.40 -0.51 0.04 0.00 0.00 177.00 174.25 1x6h s ASP 74 N -3.45 0.02 0.00 6.66 1.01 -1.26 -5.01 116.67 114.64 1x6h s ASP 74 Ca 0.65 0.52 0.00 0.00 0.71 0.00 0.00 52.55 54.43 1x6h s ASP 74 Cb -0.18 1.22 0.00 0.00 1.01 0.00 0.00 42.92 44.96 1x6h s ASP 74 CO 0.58 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 176.29 1x6h n GLY 75 N 5.38 -1.42 3.17 0.21 0.00 -1.26 -4.92 105.19 106.35 1x6h n GLY 75 Ca -0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.41 1.07 1.61 0.11 -1.26 -5.16 120.40 116.36 1x6h s VAL 76 Ca 0.00 0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.07 1x6h s VAL 76 Cb 0.00 -0.56 0.24 0.00 -1.53 0.00 0.00 36.38 34.52 1x6h s VAL 76 CO 0.00 0.08 1.20 -1.83 -3.33 0.00 0.00 175.10 171.22 1x6h s GLU 77 N 2.22 -0.22 0.00 1.54 -1.05 -1.26 -4.76 118.70 115.17 1x6h s GLU 77 Ca -0.03 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 1x6h s GLU 77 Cb -0.11 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.85 1x6h s GLU 77 CO -0.11 -3.02 0.00 0.41 0.95 0.00 0.00 175.26 173.48 1x6h n GLY 78 N -2.28 3.72 0.30 -3.83 0.00 -1.26 -4.97 105.19 96.86 1x6h n GLY 78 Ca 0.13 -0.63 0.14 0.00 0.00 0.00 0.00 46.02 45.67 1x6h n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x6h n GLU 79 N 0.00 -0.07 -1.44 1.61 0.00 -1.26 -4.32 120.64 115.16 1x6h n GLU 79 Ca 0.00 1.28 -0.54 0.00 0.00 0.00 0.00 57.16 57.89 1x6h n GLU 79 Cb 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 31.44 29.30 1x6h n GLU 79 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1x6h n ASN 80 N -5.21 1.82 -4.66 -1.84 2.85 -1.26 -4.85 115.26 102.10 1x6h n ASN 80 Ca 0.22 0.60 -0.39 0.00 -0.11 0.00 0.00 54.58 54.90 1x6h n ASN 80 Cb 0.71 -1.14 0.04 0.00 1.24 0.00 0.00 39.78 40.62 1x6h n ASN 80 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x6h n SER 81 N 8.41 1.67 0.00 1.20 2.88 -1.26 -5.00 113.62 121.52 1x6h n SER 81 Ca 0.42 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1x6h n SER 81 Cb 0.14 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 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 1.05 1.71 0.11 0.46 0.00 -1.26 -5.05 105.19 102.20 1x6h n GLY 82 Ca 0.11 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1x6h n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6h h PRO 83 N 0.00 0.23 -0.50 1.61 0.13 -2.03 -3.46 132.00 127.97 1x6h h PRO 83 Ca 0.00 -0.12 0.22 0.00 -0.87 0.00 0.00 66.00 65.23 1x6h h PRO 83 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.91 1x6h h PRO 83 CO 0.00 0.65 0.21 -1.54 -0.23 0.00 0.00 178.00 177.09 1x6h s SER 84 N -5.97 -0.45 0.17 1.44 1.04 -1.26 -5.18 113.70 103.50 1x6h s SER 84 Ca -0.15 0.41 -0.20 0.00 0.48 0.00 0.00 55.95 56.50 1x6h s SER 84 Cb 0.04 1.43 0.05 0.00 0.10 0.00 0.00 66.02 67.63 1x6h s SER 84 CO 0.72 -0.08 0.54 -0.44 0.98 0.00 0.00 173.24 174.96 1x6h s SER 85 N 2.67 -0.38 0.00 7.02 0.01 -1.26 -5.31 113.70 116.45 1x6h s SER 85 Ca -0.01 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1x6h s SER 85 Cb -0.08 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1x6h s SER 85 CO -0.14 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.12