#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 5.22 -0.54 1.61 0.01 -1.26 -5.08 113.70 113.67 1x6h s SER 2 Ca 0.00 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.92 1x6h s SER 2 Cb 0.00 -0.43 0.14 0.00 0.21 0.00 0.00 66.02 65.94 1x6h s SER 2 CO 0.00 -1.17 0.29 -0.44 0.41 0.00 0.00 173.24 172.33 1x6h s SER 3 N -4.50 4.31 -0.26 2.44 0.01 -1.26 -4.98 113.70 109.47 1x6h s SER 3 Ca 0.59 -3.10 -0.04 0.00 1.31 0.00 0.00 55.95 54.71 1x6h s SER 3 Cb -0.08 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 1x6h s SER 3 CO 0.38 -0.21 3.00 0.61 0.41 0.00 0.00 173.24 177.42 1x6h n GLY 4 N 2.99 3.77 0.19 3.44 0.00 -1.26 -4.56 105.19 109.75 1x6h n GLY 4 Ca 0.07 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1x6h n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x6h h SER 5 N 2.81 0.53 -3.86 1.61 0.02 -2.03 -3.34 113.55 109.28 1x6h h SER 5 Ca 0.30 -0.12 -0.69 0.00 -0.84 0.00 0.00 61.79 60.44 1x6h h SER 5 Cb 1.04 -0.14 -0.36 0.00 0.14 0.00 0.00 62.40 63.08 1x6h h SER 5 CO 0.60 0.50 -0.33 -0.55 -1.14 0.00 0.00 176.83 175.91 1x6h s SER 6 N -5.76 5.33 0.96 3.07 0.15 -1.26 -5.08 113.70 111.10 1x6h s SER 6 Ca -0.13 -3.22 -0.16 0.00 0.70 0.00 0.00 55.95 53.13 1x6h s SER 6 Cb 0.10 -1.83 -0.12 0.00 -1.71 0.00 0.00 66.02 62.46 1x6h s SER 6 CO 0.74 -0.28 -0.56 0.61 1.20 0.00 0.00 173.24 174.95 1x6h n GLY 7 N 2.97 -4.14 3.83 9.45 0.00 -1.26 -4.91 105.19 111.12 1x6h n GLY 7 Ca 0.13 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.20 4.18 -0.21 1.61 1.70 -1.26 -5.06 118.95 117.70 1x6h s ARG 8 Ca 0.44 0.93 -0.03 0.00 -0.47 0.00 0.00 55.73 56.60 1x6h s ARG 8 Cb -0.21 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 1x6h s ARG 8 CO 0.79 0.13 -0.08 0.95 -1.08 0.00 0.00 175.30 176.01 1x6h s THR 9 N -1.97 3.03 -0.29 4.99 -4.23 -1.26 -5.08 115.64 110.83 1x6h s THR 9 Ca 0.55 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.46 1x6h s THR 9 Cb -0.11 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.44 1x6h s THR 9 CO 0.17 0.44 -0.01 -1.38 -0.54 0.00 0.00 174.62 173.30 1x6h s HIS 10 N 1.43 3.13 -0.22 3.99 -3.43 -1.26 -5.08 115.29 113.84 1x6h s HIS 10 Ca 0.05 -2.43 -0.16 0.00 -0.80 0.00 0.00 55.06 51.72 1x6h s HIS 10 Cb -0.14 -2.25 0.06 0.00 -1.43 0.00 0.00 32.58 28.82 1x6h s HIS 10 CO -0.06 -0.89 0.56 -0.08 -2.00 0.00 0.00 174.74 172.28 1x6h s THR 11 N 1.13 -0.01 0.00 -5.38 -1.32 -1.26 -5.12 115.64 103.69 1x6h s THR 11 Ca 0.02 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1x6h s THR 11 Cb -0.19 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1x6h s THR 11 CO -0.09 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1x6h n GLY 12 N 3.51 0.74 3.24 6.08 0.00 -1.26 -4.96 105.19 112.54 1x6h n GLY 12 Ca -0.18 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 0.79 -0.39 1.61 4.04 -1.26 -5.13 118.70 118.36 1x6h s GLU 13 Ca 0.00 -0.49 -0.02 0.00 0.04 0.00 0.00 54.97 54.50 1x6h s GLU 13 Cb 0.00 0.34 0.10 0.00 0.02 0.00 0.00 34.13 34.59 1x6h s GLU 13 CO 0.00 -0.25 0.16 0.15 -1.84 0.00 0.00 175.26 173.49 1x6h s LYS 14 N -2.45 2.02 0.56 -4.83 1.02 -1.26 -4.75 119.74 110.06 1x6h s LYS 14 Ca -0.06 -1.74 0.34 0.00 0.02 0.00 0.00 55.97 54.53 1x6h s LYS 14 Cb -0.01 -3.50 1.42 0.00 -0.52 0.00 0.00 37.83 35.22 1x6h s LYS 14 CO -0.03 -1.00 2.00 -1.00 -0.92 0.00 0.00 175.35 174.41 1x6h h PRO 15 N 8.01 0.00 -5.09 -1.68 0.13 -1.90 -3.40 132.00 128.07 1x6h h PRO 15 Ca -0.13 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.33 1x6h h PRO 15 Cb 1.05 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.01 1x6h h PRO 15 CO 0.66 0.00 0.37 0.71 -0.23 0.00 0.00 178.00 179.51 1x6h s TYR 16 N -3.69 2.84 -0.26 1.56 1.51 -1.18 -5.00 117.35 113.13 1x6h s TYR 16 Ca 0.01 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.28 1x6h s TYR 16 Cb 0.09 -4.17 0.04 0.00 -0.11 0.00 0.00 41.96 37.81 1x6h s TYR 16 CO 0.54 -1.49 -0.07 0.00 -1.11 0.00 0.00 175.55 173.41 1x6h s ALA 17 N 3.38 2.65 0.44 3.71 0.00 -1.26 0.19 121.76 130.87 1x6h s ALA 17 Ca 0.18 -1.59 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 1x6h s ALA 17 Cb -0.19 -1.67 -0.11 0.00 0.00 0.00 0.00 23.12 21.15 1x6h s ALA 17 CO 0.07 -0.97 0.80 0.00 0.00 0.00 0.00 175.76 175.66 1x6h n SER 19 N 0.69 2.07 0.00 0.00 2.88 -1.26 -4.17 113.62 113.83 1x6h n SER 19 Ca 0.11 0.21 0.06 0.00 -1.33 0.00 0.00 58.87 57.91 1x6h n SER 19 Cb 0.40 -0.84 0.45 0.00 -0.75 0.00 0.00 64.21 63.48 1x6h n SER 19 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1x6h h HIS 20 N -0.11 0.47 -3.52 0.66 3.86 -1.99 -3.44 115.15 111.08 1x6h h HIS 20 Ca -0.44 0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.25 1x6h h HIS 20 Cb 1.91 -0.16 -0.13 0.00 1.06 0.00 0.00 27.41 30.09 1x6h h HIS 20 CO 0.07 0.28 -0.50 0.00 0.86 0.00 0.00 177.93 178.65 1x6h n ASP 22 N -1.46 7.38 -4.57 0.00 -0.08 -1.26 -4.43 116.55 112.13 1x6h n ASP 22 Ca -0.01 -3.69 -0.30 0.00 -1.51 0.00 0.00 54.79 49.27 1x6h n ASP 22 Cb 0.64 -1.12 -0.10 0.00 2.34 0.00 0.00 41.12 42.87 1x6h n ASP 22 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1x6h s LYS 23 N -3.68 2.20 0.12 -0.67 -0.14 -1.26 -5.00 119.74 111.31 1x6h s LYS 23 Ca 0.51 -0.97 0.06 0.00 -1.36 0.00 0.00 55.97 54.21 1x6h s LYS 23 Cb 0.37 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1x6h s LYS 23 CO -0.32 0.53 -0.13 0.95 -0.76 0.00 0.00 175.35 175.61 1x6h s THR 24 N -1.14 1.29 -0.11 2.17 -4.23 -1.26 0.06 115.64 112.41 1x6h s THR 24 Ca 0.20 -1.76 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1x6h s THR 24 Cb -0.11 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.21 1x6h s THR 24 CO 0.12 -0.47 0.29 -0.36 -0.54 0.00 0.00 174.62 173.66 1x6h s PHE 25 N -2.30 -0.34 -0.94 3.99 0.40 0.13 -4.98 117.98 113.93 1x6h s PHE 25 Ca 0.10 0.81 0.26 0.00 -0.60 0.00 0.00 56.93 57.50 1x6h s PHE 25 Cb -0.04 0.11 1.08 0.00 0.51 0.00 0.00 43.02 44.68 1x6h s PHE 25 CO 0.03 -0.18 1.84 2.89 0.70 0.00 0.00 175.22 180.49 1x6h n ARG 26 N 3.32 0.04 -3.94 0.44 -4.01 -1.26 -3.12 116.66 108.13 1x6h n ARG 26 Ca -0.16 0.08 -0.29 0.00 -1.04 0.00 0.00 57.85 56.44 1x6h n ARG 26 Cb 0.57 -1.56 -0.16 0.00 -3.04 0.00 0.00 32.46 28.27 1x6h n ARG 26 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1x6h s GLN 27 N -3.02 1.75 0.31 2.89 -0.21 -1.26 -4.89 119.66 115.23 1x6h s GLN 27 Ca 0.12 -0.52 0.06 0.00 0.02 0.00 0.00 55.36 55.04 1x6h s GLN 27 Cb 0.16 -1.99 0.84 0.00 1.00 0.00 0.00 33.01 33.02 1x6h s GLN 27 CO 0.50 -0.35 1.62 1.57 -2.12 0.00 0.00 175.29 176.51 1x6h h LYS 28 N 8.09 0.14 -0.67 2.91 2.10 -1.97 0.35 116.57 127.53 1x6h h LYS 28 Ca -0.29 -0.01 0.14 0.00 -2.00 0.00 0.00 60.65 58.49 1x6h h LYS 28 Cb 1.12 -0.03 -0.11 0.00 -0.90 0.00 0.00 32.23 32.31 1x6h h LYS 28 CO 0.44 0.09 0.09 0.37 -2.00 0.00 0.00 179.45 178.44 1x6h h GLN 29 N 0.14 0.19 0.30 0.07 4.15 -1.97 0.85 115.11 118.84 1x6h h GLN 29 Ca 0.62 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 60.02 1x6h h GLN 29 Cb 1.34 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1x6h h GLN 29 CO -0.73 0.13 -0.26 -0.07 -1.93 0.00 0.00 178.83 175.96 1x6h h LEU 30 N 0.20 -0.69 -2.63 -2.39 4.07 -0.70 0.60 115.31 113.76 1x6h h LEU 30 Ca 0.36 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1x6h h LEU 30 Cb 0.60 0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 1x6h h LEU 30 CO -0.51 -0.39 0.02 0.25 -1.08 0.00 0.00 178.44 176.73 1x6h h LEU 31 N -0.58 0.00 0.01 1.67 5.85 -1.16 0.38 115.31 121.47 1x6h h LEU 31 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x6h h LEU 31 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1x6h h LEU 31 CO -0.03 0.00 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.28 1x6h h ASP 32 N 0.00 -0.01 0.69 1.25 1.82 0.26 -3.15 116.42 117.28 1x6h h ASP 32 Ca 0.01 -0.80 -0.11 0.00 -0.39 0.00 0.00 57.03 55.74 1x6h h ASP 32 Cb 0.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1x6h h ASP 32 CO -0.00 0.83 -0.51 0.00 -1.61 0.00 0.00 179.24 177.95 1x6h h MET 33 N -0.89 0.00 -0.23 0.28 -0.00 -0.45 -3.00 114.93 110.63 1x6h h MET 33 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1x6h h MET 33 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.40 1x6h h MET 33 CO 0.00 0.51 0.14 1.25 -0.00 0.00 0.00 176.91 178.81 1x6h h HIS 34 N 0.00 0.31 0.55 -0.10 -0.00 -0.36 -0.02 115.15 115.53 1x6h h HIS 34 Ca -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1x6h h HIS 34 Cb 0.99 -0.10 0.01 0.00 -0.00 0.00 0.00 27.41 28.31 1x6h h HIS 34 CO 0.00 0.25 -0.27 0.35 -0.00 0.00 0.00 177.93 178.27 1x6h h PHE 35 N 0.28 -0.69 0.00 5.26 3.04 -1.52 0.20 116.94 123.51 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 0.04 0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1x6h h PHE 35 CO -0.04 -0.36 0.00 1.63 -2.02 0.00 0.00 178.31 177.52 1x6h n LYS 36 N -5.33 0.02 -0.07 1.11 4.76 -1.14 -1.19 118.16 116.32 1x6h n LYS 36 Ca -0.12 0.35 -0.07 0.00 -2.87 0.00 0.00 58.31 55.61 1x6h n LYS 36 Cb 0.33 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.40 0.43 0.02 1.97 0.63 -0.02 -1.45 116.66 116.84 1x6h n ARG 37 Ca 0.01 0.27 -0.01 0.00 -0.92 0.00 0.00 57.85 57.20 1x6h n ARG 37 Cb 0.03 -1.37 -0.01 0.00 0.45 0.00 0.00 32.46 31.57 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 -0.85 -0.07 -0.01 -0.14 -1.99 -0.51 -3.31 116.97 110.10 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 0.72 0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.48 1x6h h TYR 38 CO -0.31 -0.04 0.15 0.45 -0.00 0.00 0.00 178.16 178.41 1x6h h HIS 39 N -0.31 0.00 -3.23 4.88 3.86 -1.30 -3.37 115.15 115.67 1x6h h HIS 39 Ca -0.01 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.73 1x6h h HIS 39 Cb 0.06 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.15 1x6h h HIS 39 CO 0.03 0.00 -0.78 0.34 0.86 0.00 0.00 177.93 178.38 1x6h s ASP 40 N -4.87 1.80 0.00 2.45 2.15 -0.40 -4.97 116.67 112.83 1x6h s ASP 40 Ca -0.04 -0.17 0.15 0.00 0.43 0.00 0.00 52.55 52.92 1x6h s ASP 40 Cb 0.11 -0.58 0.75 0.00 -0.30 0.00 0.00 42.92 42.91 1x6h s ASP 40 CO 0.36 -0.17 1.40 -0.81 -0.17 0.00 0.00 175.17 175.78 1x6h n PRO 41 N 5.08 0.22 0.15 4.34 -0.04 -1.25 -3.06 135.00 140.44 1x6h n PRO 41 Ca -0.09 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1x6h n PRO 41 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.33 -2.61 3.54 2.35 -1.84 -3.42 115.58 113.28 1x6h h ASN 42 Ca 0.00 0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.23 1x6h h ASN 42 Cb 0.13 0.09 0.04 0.00 0.05 0.00 0.00 38.32 38.62 1x6h h ASN 42 CO 0.00 -0.22 1.06 0.12 -1.65 0.00 0.00 177.43 176.74 1x6h s PHE 43 N -3.67 2.34 -0.10 1.19 2.19 -0.53 -4.99 117.98 114.41 1x6h s PHE 43 Ca -0.06 0.14 -0.01 0.00 0.33 0.00 0.00 56.93 57.34 1x6h s PHE 43 Cb 0.01 -4.10 0.03 0.00 -1.31 0.00 0.00 43.02 37.64 1x6h s PHE 43 CO 0.17 -4.45 -0.04 0.54 1.83 0.00 0.00 175.22 173.27 1x6h s VAL 44 N 2.49 0.76 -0.24 3.12 0.11 -1.26 -4.39 120.40 120.98 1x6h s VAL 44 Ca 0.78 -0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.41 1x6h s VAL 44 Cb -0.44 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 1x6h s VAL 44 CO 0.34 0.32 1.62 -2.16 -3.33 0.00 0.00 175.10 171.90 1x6h s PRO 45 N 1.82 3.74 -0.47 1.54 0.04 -1.26 -4.95 135.00 135.45 1x6h s PRO 45 Ca 0.05 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 1x6h s PRO 45 Cb -0.12 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.37 1x6h s PRO 45 CO -0.07 -1.36 1.49 0.00 0.04 0.00 0.00 177.00 177.10 1x6h s ALA 46 N 5.38 2.88 -0.45 8.56 0.00 -1.26 -4.97 121.76 131.89 1x6h s ALA 46 Ca 0.72 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.22 1x6h s ALA 46 Cb -0.24 -4.03 0.07 0.00 0.00 0.00 0.00 23.12 18.92 1x6h s ALA 46 CO 0.30 -2.72 0.34 0.00 0.00 0.00 0.00 175.76 173.68 1x6h s ALA 47 N 6.09 3.46 -0.31 0.00 0.00 -1.26 -4.54 121.76 125.20 1x6h s ALA 47 Ca 0.61 -2.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 1x6h s ALA 47 Cb -0.14 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.17 1x6h s ALA 47 CO 0.29 -1.69 0.10 -0.06 0.00 0.00 0.00 175.76 174.40 1x6h s PHE 48 N 1.57 1.67 -0.15 0.00 0.40 -1.23 -5.04 117.98 115.20 1x6h s PHE 48 Ca 0.04 -1.73 -0.07 0.00 -0.60 0.00 0.00 56.93 54.57 1x6h s PHE 48 Cb -0.24 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1x6h s PHE 48 CO 0.05 -0.87 0.07 0.54 0.70 0.00 0.00 175.22 175.71 1x6h s VAL 49 N 1.59 4.91 1.05 -0.44 0.11 -1.26 -1.34 120.40 125.01 1x6h s VAL 49 Ca 0.10 -0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 1x6h s VAL 49 Cb -0.17 -3.17 -0.06 0.00 -1.53 0.00 0.00 36.38 31.45 1x6h s VAL 49 CO -0.25 0.52 -0.73 0.00 -3.33 0.00 0.00 175.10 171.31 1x6h n SER 51 N 1.08 4.35 -0.07 0.00 3.41 -1.26 -3.97 113.62 117.16 1x6h n SER 51 Ca -0.00 -0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.45 1x6h n SER 51 Cb 0.67 1.12 -0.13 0.00 -0.26 0.00 0.00 64.21 65.61 1x6h n SER 51 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1x6h h LYS 52 N 0.00 0.02 0.00 4.33 1.57 -1.92 -3.42 116.57 117.14 1x6h h LYS 52 Ca 0.00 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.43 1x6h h LYS 52 Cb 0.12 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1x6h h LYS 52 CO 0.00 1.02 -2.09 0.00 -0.57 0.00 0.00 179.45 177.81 1x6h n GLY 54 N 1.94 1.99 3.74 0.00 0.00 -1.26 -4.75 105.19 106.84 1x6h n GLY 54 Ca -0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.30 4.69 0.01 1.61 1.02 -1.26 -4.67 119.74 120.83 1x6h s LYS 55 Ca 0.00 1.39 -0.25 0.00 0.02 0.00 0.00 55.97 57.13 1x6h s LYS 55 Cb 0.00 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1x6h s LYS 55 CO 0.00 0.30 0.77 0.95 -0.92 0.00 0.00 175.35 176.45 1x6h s THR 56 N -0.27 4.85 0.34 2.17 -4.23 -1.26 0.19 115.64 117.42 1x6h s THR 56 Ca 0.44 1.63 0.07 0.00 -1.18 0.00 0.00 61.69 62.65 1x6h s THR 56 Cb -0.23 -4.12 -0.07 0.00 1.34 0.00 0.00 72.50 69.42 1x6h s THR 56 CO 0.29 0.30 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.28 1x6h s PHE 57 N 0.34 2.26 -0.22 3.99 0.40 -0.45 -4.97 117.98 119.33 1x6h s PHE 57 Ca 0.40 -0.66 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1x6h s PHE 57 Cb -0.20 -1.41 -0.20 0.00 0.51 0.00 0.00 43.02 41.73 1x6h s PHE 57 CO 0.22 0.39 -0.05 2.41 0.70 0.00 0.00 175.22 178.89 1x6h n THR 58 N -0.77 1.58 -4.11 0.64 -1.04 -1.26 -3.55 114.28 105.76 1x6h n THR 58 Ca -0.05 -0.57 -0.31 0.00 -2.04 0.00 0.00 64.05 61.08 1x6h n THR 58 Cb 0.65 -1.55 -0.07 0.00 -1.82 0.00 0.00 70.33 67.53 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 -2.53 2.82 -0.01 -2.82 0.52 -1.26 -4.46 118.95 111.21 1x6h s ARG 59 Ca -0.31 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.04 1x6h s ARG 59 Cb 0.09 -2.70 -0.10 0.00 0.52 0.00 0.00 34.95 32.76 1x6h s ARG 59 CO 0.65 0.58 0.82 -0.09 0.02 0.00 0.00 175.30 177.27 1x6h h ARG 60 N 3.63 -0.62 -0.51 3.54 1.12 -1.93 -3.04 114.38 116.57 1x6h h ARG 60 Ca -0.48 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 58.49 1x6h h ARG 60 Cb 1.17 0.14 -0.09 0.00 -0.01 0.00 0.00 29.97 31.18 1x6h h ARG 60 CO 0.63 -0.41 -0.55 -0.91 -3.11 0.00 0.00 179.97 175.61 1x6h h ASN 61 N -1.03 -1.87 -0.92 -3.80 4.21 -1.99 0.24 115.58 110.43 1x6h h ASN 61 Ca -0.07 0.25 0.24 0.00 1.21 0.00 0.00 56.30 57.94 1x6h h ASN 61 Cb 0.49 0.78 -0.16 0.00 -1.12 0.00 0.00 38.32 38.31 1x6h h ASN 61 CO 0.11 -0.36 0.06 0.74 -1.29 0.00 0.00 177.43 176.69 1x6h h THR 62 N -0.31 0.15 0.54 2.81 2.02 -2.00 -1.06 112.91 115.05 1x6h h THR 62 Ca 0.09 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1x6h h THR 62 Cb 0.54 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1x6h h THR 62 CO -0.64 0.01 -0.26 -0.03 0.37 0.00 0.00 175.52 174.97 1x6h h MET 63 N 0.07 -0.70 -0.85 6.66 -1.53 -0.79 -2.40 114.93 115.39 1x6h h MET 63 Ca 0.55 0.05 0.16 0.00 -3.44 0.00 0.00 59.70 57.02 1x6h h MET 63 Cb 1.10 0.16 -0.16 0.00 -0.55 0.00 0.00 31.60 32.15 1x6h h MET 63 CO -0.82 -0.41 -0.24 0.00 0.14 0.00 0.00 176.91 175.58 1x6h n ALA 64 N -2.66 0.13 -0.13 0.39 0.00 0.63 0.10 120.51 118.97 1x6h n ALA 64 Ca -0.10 0.91 -0.10 0.00 0.00 0.00 0.00 53.44 54.15 1x6h n ALA 64 Cb 0.31 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 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 0.60 -0.69 0.00 3.08 -1.33 -3.00 114.38 113.04 1x6h h ARG 65 Ca 0.38 -0.15 0.14 0.00 0.07 0.00 0.00 59.98 60.42 1x6h h ARG 65 Cb 0.59 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.47 1x6h h ARG 65 CO -0.87 0.65 0.16 1.25 -1.07 0.00 0.00 179.97 180.10 1x6h h HIS 66 N 0.46 0.25 -0.22 3.04 2.76 0.12 -2.10 115.15 119.47 1x6h h HIS 66 Ca 0.12 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 1x6h h HIS 66 Cb 0.33 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.21 1x6h h HIS 66 CO 0.02 -0.06 -0.49 0.00 -1.30 0.00 0.00 177.93 176.10 1x6h h ALA 67 N 1.56 -0.71 -0.78 5.26 0.00 -1.05 0.31 119.26 123.86 1x6h h ALA 67 Ca 0.38 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.37 1x6h h ALA 67 Cb 0.62 0.94 -0.12 0.00 0.00 0.00 0.00 17.79 19.23 1x6h h ALA 67 CO -0.47 -1.00 -0.51 0.22 0.00 0.00 0.00 179.25 177.49 1x6h h ASP 68 N -0.49 -1.82 0.60 0.00 3.58 -1.43 1.33 116.42 118.20 1x6h h ASP 68 Ca 0.07 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1x6h h ASP 68 Cb 0.64 0.82 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1x6h h ASP 68 CO -0.47 -0.30 0.00 0.78 -2.88 0.00 0.00 179.24 176.37 1x6h h ASN 69 N -0.13 0.00 -4.00 2.28 2.35 -1.31 -3.43 115.58 111.34 1x6h h ASN 69 Ca 0.18 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.43 1x6h h ASN 69 Cb 0.52 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.94 1x6h h ASN 69 CO -0.82 0.00 0.28 0.00 -1.65 0.00 0.00 177.43 175.24 1x6h n ALA 71 N -2.59 1.70 0.00 0.00 0.00 -1.26 -4.92 120.51 113.44 1x6h n ALA 71 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1x6h n ALA 71 Cb 0.55 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 1.72 -1.44 3.77 0.00 0.00 -1.23 -4.84 105.19 103.17 1x6h n GLY 72 Ca 0.00 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.87 4.12 -1.52 1.61 0.04 -1.25 -3.36 135.00 132.77 1x6h s PRO 73 Ca 0.00 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 1x6h s PRO 73 Cb 0.00 -2.77 0.17 0.00 0.04 0.00 0.00 34.50 31.94 1x6h s PRO 73 CO 0.00 -0.29 0.43 -0.25 0.04 0.00 0.00 177.00 176.93 1x6h n ASP 74 N 0.24 -1.20 -2.79 6.66 8.00 -1.26 -4.80 116.55 121.40 1x6h n ASP 74 Ca 0.03 -1.03 -0.06 0.00 0.71 0.00 0.00 54.79 54.43 1x6h n ASP 74 Cb 0.45 -1.32 0.01 0.00 -0.02 0.00 0.00 41.12 40.25 1x6h n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x6h n GLY 75 N -1.14 -0.23 3.80 0.44 0.00 -1.21 -5.14 105.19 101.70 1x6h n GLY 75 Ca 0.05 0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 1x6h n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6h s VAL 76 N 0.75 5.28 -0.05 1.61 1.01 -1.26 -3.56 120.40 124.18 1x6h s VAL 76 Ca 0.31 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1x6h s VAL 76 Cb 0.06 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1x6h s VAL 76 CO -0.11 0.51 -0.11 -1.83 0.00 0.00 0.00 175.10 173.56 1x6h s GLU 77 N -0.37 1.45 0.00 2.72 -1.05 -1.26 -5.09 118.70 115.10 1x6h s GLU 77 Ca 0.18 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1x6h s GLU 77 Cb -0.14 -1.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.31 1x6h s GLU 77 CO 0.06 0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.72 1x6h n GLY 78 N 3.73 4.46 3.43 -3.83 0.00 -1.26 -4.94 105.19 106.78 1x6h n GLY 78 Ca -0.22 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 1x6h n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6h s GLU 79 N -4.80 1.72 -1.53 1.61 0.41 -1.26 -4.84 118.70 110.01 1x6h s GLU 79 Ca 0.00 -2.00 -0.11 0.00 -0.41 0.00 0.00 54.97 52.45 1x6h s GLU 79 Cb 0.00 -0.48 0.08 0.00 -1.78 0.00 0.00 34.13 31.95 1x6h s GLU 79 CO 0.00 -0.39 0.80 -1.71 -0.49 0.00 0.00 175.26 173.47 1x6h n ASN 80 N -0.98 -3.17 -3.22 -0.19 2.85 -1.26 -4.79 115.26 104.49 1x6h n ASN 80 Ca -0.02 -0.89 -0.34 0.00 -0.11 0.00 0.00 54.58 53.21 1x6h n ASN 80 Cb 0.65 -3.44 -0.02 0.00 1.24 0.00 0.00 39.78 38.21 1x6h n ASN 80 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1x6h n SER 81 N -2.84 -1.25 -3.65 1.20 3.41 -1.26 -4.97 113.62 104.27 1x6h n SER 81 Ca -0.05 0.77 -0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1x6h n SER 81 Cb 0.56 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1x6h n SER 81 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x6h s GLY 82 N -0.74 -0.31 0.00 5.00 0.00 -1.26 -5.02 107.32 104.99 1x6h s GLY 82 Ca 0.46 0.40 0.15 0.00 0.00 0.00 0.00 44.72 45.72 1x6h s GLY 82 CO 0.43 0.13 1.43 -1.55 0.00 0.00 0.00 173.10 173.54 1x6h n PRO 83 N 0.53 0.11 -3.85 2.90 -0.04 -1.26 -4.75 135.00 128.63 1x6h n PRO 83 Ca -0.19 0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 1x6h n PRO 83 Cb 0.60 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1x6h n PRO 83 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x6h s SER 84 N -2.77 4.70 -0.29 3.54 1.04 -1.26 -5.14 113.70 113.51 1x6h s SER 84 Ca 0.11 -1.08 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 1x6h s SER 84 Cb 0.10 -0.05 0.14 0.00 0.10 0.00 0.00 66.02 66.31 1x6h s SER 84 CO 0.24 -0.86 0.94 -0.55 0.98 0.00 0.00 173.24 173.99 1x6h s SER 85 N -4.16 -0.60 0.00 7.02 0.15 -1.26 -5.14 113.70 109.72 1x6h s SER 85 Ca 0.39 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1x6h s SER 85 Cb -0.01 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 1x6h s SER 85 CO 0.23 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.14