#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 5.11 0.43 1.61 0.01 -1.26 -5.10 113.70 114.51 1x6h s SER 2 Ca 0.00 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 56.42 1x6h s SER 2 Cb 0.00 -1.88 -0.07 0.00 0.21 0.00 0.00 66.02 64.28 1x6h s SER 2 CO 0.00 -0.19 0.83 -0.55 0.41 0.00 0.00 173.24 173.74 1x6h s SER 3 N 1.49 6.57 0.10 2.44 0.15 -1.26 -4.96 113.70 118.23 1x6h s SER 3 Ca 0.02 1.28 -0.25 0.00 0.70 0.00 0.00 55.95 57.70 1x6h s SER 3 Cb -0.17 -2.38 -0.14 0.00 -1.71 0.00 0.00 66.02 61.62 1x6h s SER 3 CO 0.02 -0.45 0.55 0.61 1.20 0.00 0.00 173.24 175.17 1x6h n GLY 4 N -1.33 -0.95 3.32 9.45 0.00 -1.26 -4.96 105.19 109.46 1x6h n GLY 4 Ca 0.04 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 1x6h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6h s SER 5 N -0.50 -0.42 -0.02 1.61 0.01 -1.26 -5.16 113.70 107.96 1x6h s SER 5 Ca 0.56 1.04 -0.30 0.00 1.31 0.00 0.00 55.95 58.56 1x6h s SER 5 Cb -0.80 1.30 0.12 0.00 0.21 0.00 0.00 66.02 66.84 1x6h s SER 5 CO 0.43 -0.22 1.27 -0.94 0.41 0.00 0.00 173.24 174.19 1x6h s SER 6 N 2.31 -0.07 0.00 2.44 1.04 -1.26 -5.17 113.70 112.99 1x6h s SER 6 Ca -0.04 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1x6h s SER 6 Cb -0.11 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1x6h s SER 6 CO -0.14 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1x6h n GLY 7 N -0.46 0.43 2.71 7.32 0.00 -1.26 -5.09 105.19 108.83 1x6h n GLY 7 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 2.93 0.49 -0.32 1.61 0.52 -1.26 -5.10 118.95 117.82 1x6h s ARG 8 Ca 0.00 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1x6h s ARG 8 Cb 0.00 -1.86 0.10 0.00 0.52 0.00 0.00 34.95 33.71 1x6h s ARG 8 CO 0.00 -0.59 0.07 0.95 0.02 0.00 0.00 175.30 175.75 1x6h s THR 9 N 1.95 1.53 -0.69 0.02 -4.23 -1.26 -4.98 115.64 107.97 1x6h s THR 9 Ca 0.01 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1x6h s THR 9 Cb -0.16 -2.15 0.42 0.00 1.34 0.00 0.00 72.50 71.96 1x6h s THR 9 CO -0.08 -0.64 2.04 1.57 -0.54 0.00 0.00 174.62 176.98 1x6h n HIS 10 N 4.57 3.13 -0.28 3.99 -0.00 -1.26 -4.64 115.22 120.73 1x6h n HIS 10 Ca 0.01 -2.87 -0.05 0.00 -0.00 0.00 0.00 57.72 54.81 1x6h n HIS 10 Cb 0.42 -1.39 0.06 0.00 -0.00 0.00 0.00 29.99 29.08 1x6h n HIS 10 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1x6h h THR 11 N 1.20 1.22 -0.90 3.57 1.35 -2.02 -3.47 112.91 113.86 1x6h h THR 11 Ca 0.59 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1x6h h THR 11 Cb 0.66 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1x6h h THR 11 CO 1.54 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 177.66 1x6h n GLY 12 N -1.13 0.50 2.88 5.82 0.00 -1.26 -5.04 105.19 106.95 1x6h n GLY 12 Ca 0.07 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1x6h n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6h s GLU 13 N -1.26 2.24 -0.84 1.61 2.02 -1.26 -4.66 118.70 116.55 1x6h s GLU 13 Ca 0.00 -3.08 -0.33 0.00 0.02 0.00 0.00 54.97 51.57 1x6h s GLU 13 Cb 0.00 -3.27 -0.20 0.00 0.10 0.00 0.00 34.13 30.76 1x6h s GLU 13 CO 0.00 -1.25 2.55 1.63 0.02 0.00 0.00 175.26 178.21 1x6h n LYS 14 N 2.32 0.11 0.18 1.61 5.02 -1.26 -4.76 118.16 121.39 1x6h n LYS 14 Ca 0.16 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1x6h n LYS 14 Cb 0.35 -1.67 0.34 0.00 -0.02 0.00 0.00 35.03 34.03 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 11.92 0.00 -5.76 1.97 0.13 -1.85 -3.41 132.00 135.00 1x6h h PRO 15 Ca -0.08 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.45 1x6h h PRO 15 Cb 1.33 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 1x6h h PRO 15 CO 1.30 0.41 0.76 0.71 -0.23 0.00 0.00 178.00 180.95 1x6h s TYR 16 N -3.88 2.55 -0.28 1.56 1.51 -1.04 -4.97 117.35 112.81 1x6h s TYR 16 Ca -0.02 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1x6h s TYR 16 Cb 0.13 -4.42 0.02 0.00 -0.11 0.00 0.00 41.96 37.57 1x6h s TYR 16 CO 0.71 -1.80 0.03 0.00 -1.11 0.00 0.00 175.55 173.38 1x6h s ALA 17 N 4.61 2.94 0.49 3.71 0.00 -1.26 0.38 121.76 132.62 1x6h s ALA 17 Ca 0.28 -1.47 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 1x6h s ALA 17 Cb -0.13 -1.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 1x6h s ALA 17 CO 0.10 -0.91 0.78 0.00 0.00 0.00 0.00 175.76 175.74 1x6h n SER 19 N 0.45 1.87 -0.27 0.00 7.64 -1.26 -4.27 113.62 117.78 1x6h n SER 19 Ca 0.11 0.18 -0.06 0.00 1.01 0.00 0.00 58.87 60.11 1x6h n SER 19 Cb 0.43 -0.62 0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1x6h n SER 19 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1x6h h HIS 20 N 0.05 1.04 -4.96 1.43 3.86 -1.98 -3.45 115.15 111.13 1x6h h HIS 20 Ca -0.43 -0.04 -0.59 0.00 -1.16 0.00 0.00 60.37 58.14 1x6h h HIS 20 Cb 2.02 -0.32 -0.12 0.00 1.06 0.00 0.00 27.41 30.04 1x6h h HIS 20 CO 0.06 0.75 -0.47 0.00 0.86 0.00 0.00 177.93 179.13 1x6h n ASP 22 N -1.44 7.28 -4.61 0.00 2.03 -1.26 -4.43 116.55 114.11 1x6h n ASP 22 Ca -0.11 -3.65 -0.29 0.00 0.52 0.00 0.00 54.79 51.25 1x6h n ASP 22 Cb 0.62 -1.13 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 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 -3.44 2.24 0.13 -0.67 -0.14 -1.26 -5.00 119.74 111.61 1x6h s LYS 23 Ca 0.53 -1.01 0.05 0.00 -1.36 0.00 0.00 55.97 54.18 1x6h s LYS 23 Cb 0.40 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1x6h s LYS 23 CO -0.34 0.50 -0.12 0.95 -0.76 0.00 0.00 175.35 175.58 1x6h s THR 24 N -1.32 1.23 -0.08 2.17 -4.23 -1.26 0.17 115.64 112.32 1x6h s THR 24 Ca 0.23 -1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 1x6h s THR 24 Cb -0.11 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 72.14 1x6h s THR 24 CO 0.15 -0.56 0.35 -0.36 -0.54 0.00 0.00 174.62 173.66 1x6h s PHE 25 N -2.61 -0.31 0.05 3.99 0.40 0.16 -4.97 117.98 114.68 1x6h s PHE 25 Ca 0.11 0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 56.94 1x6h s PHE 25 Cb -0.02 0.13 -0.20 0.00 0.51 0.00 0.00 43.02 43.43 1x6h s PHE 25 CO 0.02 -0.29 1.20 0.07 0.70 0.00 0.00 175.22 176.91 1x6h h ARG 26 N 4.74 0.58 -5.42 0.44 0.11 -1.90 -2.76 114.38 110.17 1x6h h ARG 26 Ca -0.28 -0.54 -0.63 0.00 0.10 0.00 0.00 59.98 58.63 1x6h h ARG 26 Cb 1.18 0.13 -0.14 0.00 1.11 0.00 0.00 29.97 32.26 1x6h h ARG 26 CO 0.34 1.16 -0.54 -0.65 0.10 0.00 0.00 179.97 180.38 1x6h s GLN 27 N -3.48 3.82 0.54 0.08 -0.21 -1.26 -4.74 119.66 114.41 1x6h s GLN 27 Ca -0.12 -0.29 0.26 0.00 0.02 0.00 0.00 55.36 55.23 1x6h s GLN 27 Cb 0.06 -3.20 1.43 0.00 1.00 0.00 0.00 33.01 32.30 1x6h s GLN 27 CO 0.86 0.41 1.99 1.57 -2.12 0.00 0.00 175.29 178.01 1x6h h LYS 28 N 6.22 0.00 -0.91 2.91 2.10 -1.97 -0.11 116.57 124.80 1x6h h LYS 28 Ca -0.42 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1x6h h LYS 28 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 1x6h h LYS 28 CO 0.68 0.00 0.56 0.37 -2.00 0.00 0.00 179.45 179.05 1x6h h GLN 29 N 0.00 1.24 -0.15 0.07 5.75 -1.98 -0.39 115.11 119.66 1x6h h GLN 29 Ca 0.24 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1x6h h GLN 29 Cb 1.01 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1x6h h GLN 29 CO -0.00 0.86 0.04 -0.07 -2.65 0.00 0.00 178.83 177.01 1x6h h LEU 30 N 1.26 0.22 -1.87 -2.39 4.07 -1.42 -1.22 115.31 113.95 1x6h h LEU 30 Ca 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1x6h h LEU 30 Cb -0.06 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 1x6h h LEU 30 CO -0.06 0.38 -0.07 0.25 -1.08 0.00 0.00 178.44 177.86 1x6h h LEU 31 N 0.04 0.00 0.06 1.67 5.85 -1.41 0.83 115.31 122.35 1x6h h LEU 31 Ca 0.05 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1x6h h LEU 31 Cb 0.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.29 1x6h h LEU 31 CO -0.00 0.07 -0.60 -0.78 -0.34 0.00 0.00 178.44 176.79 1x6h h ASP 32 N 0.00 0.42 0.16 1.25 3.58 -0.63 -3.19 116.42 118.00 1x6h h ASP 32 Ca -0.00 -0.87 -0.22 0.00 0.42 0.00 0.00 57.03 56.36 1x6h h ASP 32 Cb 0.38 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.31 1x6h h ASP 32 CO 0.01 1.24 -0.88 0.00 -2.88 0.00 0.00 179.24 176.74 1x6h h MET 33 N -0.35 0.54 -0.19 0.28 -0.00 -1.01 -3.15 114.93 111.04 1x6h h MET 33 Ca -0.09 -0.52 0.05 0.00 -0.00 0.00 0.00 59.70 59.14 1x6h h MET 33 Cb 1.39 0.13 -0.06 0.00 -0.00 0.00 0.00 31.60 33.06 1x6h h MET 33 CO 0.11 1.15 -0.18 1.25 -0.00 0.00 0.00 176.91 179.24 1x6h h HIS 34 N 0.34 -0.45 0.44 -0.10 -0.00 -0.96 0.17 115.15 114.59 1x6h h HIS 34 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1x6h h HIS 34 Cb 1.50 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 29.13 1x6h h HIS 34 CO 0.07 -0.25 -0.34 0.35 -0.00 0.00 0.00 177.93 177.76 1x6h h PHE 35 N -0.19 -0.92 0.00 5.26 3.04 -1.62 0.30 116.94 122.80 1x6h h PHE 35 Ca 0.12 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1x6h h PHE 35 Cb 0.37 0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.22 1x6h h PHE 35 CO -0.32 -0.50 0.00 1.63 -2.02 0.00 0.00 178.31 177.10 1x6h n LYS 36 N -5.47 0.09 -0.06 1.11 5.02 -1.07 -1.33 118.16 116.45 1x6h n LYS 36 Ca -0.11 0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1x6h n LYS 36 Cb 0.36 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.29 0.38 0.02 1.97 0.63 0.57 -1.90 116.66 117.05 1x6h n ARG 37 Ca 0.03 0.26 -0.02 0.00 -0.92 0.00 0.00 57.85 57.20 1x6h n ARG 37 Cb 0.05 -1.29 -0.01 0.00 0.45 0.00 0.00 32.46 31.66 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 -0.76 -0.10 0.00 -0.14 -1.99 -0.43 -3.27 116.97 110.28 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 0.64 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.40 1x6h h TYR 38 CO -0.28 -0.06 0.15 0.72 -0.00 0.00 0.00 178.16 178.69 1x6h n HIS 39 N -3.20 0.42 -3.58 4.88 8.25 -0.44 -4.15 115.22 117.39 1x6h n HIS 39 Ca -0.01 0.22 -0.15 0.00 -0.26 0.00 0.00 57.72 57.51 1x6h n HIS 39 Cb 0.04 -0.74 -0.13 0.00 1.12 0.00 0.00 29.99 30.28 1x6h n HIS 39 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x6h s ASP 40 N -3.44 0.75 0.00 0.41 1.01 -0.93 -4.97 116.67 109.50 1x6h s ASP 40 Ca -0.01 0.25 0.11 0.00 0.71 0.00 0.00 52.55 53.60 1x6h s ASP 40 Cb 0.04 0.58 0.65 0.00 1.01 0.00 0.00 42.92 45.20 1x6h s ASP 40 CO 0.11 -0.28 1.09 -0.81 0.21 0.00 0.00 175.17 175.49 1x6h n PRO 41 N 5.34 0.49 0.25 8.23 -0.04 -1.24 -3.19 135.00 144.84 1x6h n PRO 41 Ca -0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 1x6h n PRO 41 Cb 0.50 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.56 -2.79 3.54 4.21 -1.82 -3.43 115.58 114.74 1x6h h ASN 42 Ca 0.00 -0.07 -0.54 0.00 1.21 0.00 0.00 56.30 56.90 1x6h h ASN 42 Cb 0.00 0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1x6h h ASN 42 CO 0.00 -0.17 0.93 0.12 -1.29 0.00 0.00 177.43 177.02 1x6h s PHE 43 N -4.43 2.60 -0.08 1.19 2.19 -0.80 -5.00 117.98 113.65 1x6h s PHE 43 Ca -0.13 0.55 -0.01 0.00 0.33 0.00 0.00 56.93 57.66 1x6h s PHE 43 Cb 0.02 -3.82 0.03 0.00 -1.31 0.00 0.00 43.02 37.93 1x6h s PHE 43 CO 0.45 -3.19 -0.01 0.54 1.83 0.00 0.00 175.22 174.83 1x6h s VAL 44 N 2.62 0.48 0.68 3.12 0.11 -1.26 -4.54 120.40 121.61 1x6h s VAL 44 Ca 0.69 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.65 1x6h s VAL 44 Cb -0.35 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1x6h s VAL 44 CO 0.29 0.28 1.11 -2.16 -3.33 0.00 0.00 175.10 171.29 1x6h s PRO 45 N 1.90 2.70 -0.50 1.54 0.04 -1.26 -4.96 135.00 134.46 1x6h s PRO 45 Ca 0.04 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1x6h s PRO 45 Cb -0.12 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1x6h s PRO 45 CO -0.06 -1.32 1.27 0.00 0.04 0.00 0.00 177.00 176.93 1x6h s ALA 46 N -2.44 3.03 -0.28 8.56 0.00 -1.26 -4.98 121.76 124.39 1x6h s ALA 46 Ca 0.66 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1x6h s ALA 46 Cb -0.20 -3.98 0.07 0.00 0.00 0.00 0.00 23.12 19.02 1x6h s ALA 46 CO 0.44 -2.50 -0.06 0.00 0.00 0.00 0.00 175.76 173.64 1x6h s ALA 47 N 5.10 2.56 -0.25 0.00 0.00 -1.26 -4.68 121.76 123.23 1x6h s ALA 47 Ca 0.51 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1x6h s ALA 47 Cb -0.09 -1.68 0.06 0.00 0.00 0.00 0.00 23.12 21.41 1x6h s ALA 47 CO 0.30 -1.34 -0.06 -0.06 0.00 0.00 0.00 175.76 174.59 1x6h s PHE 48 N 1.09 2.67 -0.16 0.00 0.40 -1.21 -5.04 117.98 115.73 1x6h s PHE 48 Ca -0.03 -1.96 -0.08 0.00 -0.60 0.00 0.00 56.93 54.26 1x6h s PHE 48 Cb -0.20 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1x6h s PHE 48 CO -0.06 -0.81 0.12 0.08 0.70 0.00 0.00 175.22 175.25 1x6h s VAL 49 N 1.30 5.37 1.08 -0.44 1.01 -1.26 -1.13 120.40 126.33 1x6h s VAL 49 Ca -0.06 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1x6h s VAL 49 Cb -0.19 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 32.92 1x6h s VAL 49 CO -0.06 0.52 0.07 0.00 0.00 0.00 0.00 175.10 175.62 1x6h n SER 51 N -1.32 2.23 0.05 0.00 3.41 -1.26 -4.22 113.62 112.50 1x6h n SER 51 Ca 0.03 -0.13 -0.22 0.00 -0.26 0.00 0.00 58.87 58.29 1x6h n SER 51 Cb 0.51 0.70 -0.14 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.34 0.00 4.33 1.57 -1.94 -3.43 116.57 117.43 1x6h h LYS 52 Ca 0.00 -0.57 -0.08 0.00 -1.87 0.00 0.00 60.65 58.13 1x6h h LYS 52 Cb 0.00 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1x6h h LYS 52 CO 0.00 1.27 -1.27 0.00 -0.57 0.00 0.00 179.45 178.89 1x6h n GLY 54 N 2.79 1.97 3.86 0.00 0.00 -1.26 -4.59 105.19 107.96 1x6h n GLY 54 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 2.51 -0.09 1.61 1.02 -1.26 -4.66 119.74 118.77 1x6h s LYS 55 Ca 0.00 0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.45 1x6h s LYS 55 Cb 0.00 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1x6h s LYS 55 CO 0.00 -1.28 -0.05 0.95 -0.92 0.00 0.00 175.35 174.05 1x6h s THR 56 N -3.32 3.86 0.21 2.17 -4.23 -1.26 0.15 115.64 113.22 1x6h s THR 56 Ca 0.59 -0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.74 1x6h s THR 56 Cb -0.12 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 1x6h s THR 56 CO 0.52 0.58 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.76 1x6h s PHE 57 N -0.57 1.54 -0.16 3.99 0.40 -0.28 -4.97 117.98 117.93 1x6h s PHE 57 Ca 0.09 -0.81 -0.12 0.00 -0.60 0.00 0.00 56.93 55.49 1x6h s PHE 57 Cb -0.12 -0.84 -0.23 0.00 0.51 0.00 0.00 43.02 42.34 1x6h s PHE 57 CO 0.02 0.08 0.30 0.25 0.70 0.00 0.00 175.22 176.57 1x6h n THR 58 N -0.37 1.69 -4.17 0.64 -2.24 -1.26 -3.30 114.28 105.27 1x6h n THR 58 Ca -0.07 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 1x6h n THR 58 Cb 0.62 -1.85 -0.07 0.00 -2.10 0.00 0.00 70.33 66.93 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 -2.49 2.55 0.03 -0.78 0.52 -1.26 -4.60 118.95 112.91 1x6h s ARG 59 Ca -0.25 -1.03 -0.17 0.00 -0.52 0.00 0.00 55.73 53.75 1x6h s ARG 59 Cb 0.06 -2.44 -0.26 0.00 0.52 0.00 0.00 34.95 32.83 1x6h s ARG 59 CO 0.70 0.47 1.09 -0.09 0.02 0.00 0.00 175.30 177.49 1x6h h ARG 60 N 2.65 0.52 -0.47 3.54 1.12 -1.94 -2.97 114.38 116.83 1x6h h ARG 60 Ca -0.47 -0.63 0.02 0.00 -1.11 0.00 0.00 59.98 57.78 1x6h h ARG 60 Cb 1.20 0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 31.33 1x6h h ARG 60 CO 0.60 1.25 0.28 -0.91 -3.11 0.00 0.00 179.97 178.08 1x6h h ASN 61 N 0.08 0.45 0.11 -3.80 4.21 -1.99 -0.59 115.58 114.06 1x6h h ASN 61 Ca -0.13 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 1x6h h ASN 61 Cb 1.61 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.72 1x6h h ASN 61 CO 0.18 0.32 -0.05 0.74 -1.29 0.00 0.00 177.43 177.32 1x6h h THR 62 N 0.56 0.92 0.12 2.81 2.02 -2.00 -2.63 112.91 114.71 1x6h h THR 62 Ca 0.19 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1x6h h THR 62 Cb 0.01 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1x6h h THR 62 CO -0.08 0.02 -0.22 -0.03 0.37 0.00 0.00 175.52 175.58 1x6h h MET 63 N -0.20 -0.40 -0.84 6.66 1.85 -1.34 -2.12 114.93 118.55 1x6h h MET 63 Ca -0.02 0.03 0.21 0.00 -0.61 0.00 0.00 59.70 59.32 1x6h h MET 63 Cb 0.16 0.09 -0.14 0.00 0.43 0.00 0.00 31.60 32.14 1x6h h MET 63 CO 0.03 -0.26 0.16 0.00 -0.40 0.00 0.00 176.91 176.44 1x6h h ALA 64 N 0.37 1.12 -0.49 0.39 0.00 -1.04 0.21 119.26 119.82 1x6h h ALA 64 Ca 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1x6h h ALA 64 Cb 0.43 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1x6h h ALA 64 CO -0.12 -0.45 0.26 0.00 0.00 0.00 0.00 179.25 178.94 1x6h h ARG 65 N 0.18 0.69 -0.35 0.00 3.08 -1.04 -2.90 114.38 114.04 1x6h h ARG 65 Ca 0.51 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.50 1x6h h ARG 65 Cb 0.99 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1x6h h ARG 65 CO -0.66 0.56 0.16 1.25 -1.07 0.00 0.00 179.97 180.21 1x6h h HIS 66 N 0.65 0.29 -0.93 3.04 2.76 -0.01 -2.42 115.15 118.55 1x6h h HIS 66 Ca 0.17 0.02 0.27 0.00 -2.20 0.00 0.00 60.37 58.63 1x6h h HIS 66 Cb 0.07 -0.08 -0.16 0.00 1.55 0.00 0.00 27.41 28.79 1x6h h HIS 66 CO -0.01 0.15 0.22 0.00 -1.30 0.00 0.00 177.93 176.98 1x6h h ALA 67 N 1.19 1.36 -0.20 5.26 0.00 -0.97 0.96 119.26 126.87 1x6h h ALA 67 Ca 0.15 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1x6h h ALA 67 Cb 0.08 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1x6h h ALA 67 CO -0.12 -0.56 -0.02 0.22 0.00 0.00 0.00 179.25 178.77 1x6h h ASP 68 N 0.13 -0.12 0.03 0.00 3.58 -1.44 -0.98 116.42 117.61 1x6h h ASP 68 Ca 0.60 0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.10 1x6h h ASP 68 Cb 1.29 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1x6h h ASP 68 CO -0.75 -0.04 -0.01 0.59 -2.88 0.00 0.00 179.24 176.16 1x6h n ASN 69 N -5.16 0.71 -4.74 2.28 3.02 0.88 -4.86 115.26 107.39 1x6h n ASN 69 Ca -0.02 -1.18 -0.41 0.00 -0.03 0.00 0.00 54.58 52.94 1x6h n ASN 69 Cb 0.11 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 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 2.02 4.52 0.00 0.00 0.00 -1.26 -4.94 120.51 120.84 1x6h n ALA 71 Ca 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1x6h n ALA 71 Cb 0.47 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.58 -2.27 3.70 0.00 0.00 -1.26 -4.95 105.19 99.83 1x6h n GLY 72 Ca 0.34 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.45 0.83 0.01 1.61 0.04 -1.25 -4.48 135.00 131.33 1x6h s PRO 73 Ca 0.00 0.67 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1x6h s PRO 73 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1x6h s PRO 73 CO 0.00 -2.49 -0.04 0.16 0.04 0.00 0.00 177.00 174.67 1x6h s ASP 74 N -3.43 0.42 0.00 6.66 -4.77 -1.26 -5.04 116.67 109.24 1x6h s ASP 74 Ca 0.64 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.66 1x6h s ASP 74 Cb -0.18 0.00 0.00 0.00 -1.09 0.00 0.00 42.92 41.65 1x6h s ASP 74 CO 0.57 -0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.97 1x6h n GLY 75 N 2.42 0.46 4.00 2.12 0.00 -1.26 -4.63 105.19 108.30 1x6h n GLY 75 Ca -0.17 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1x6h n GLY 75 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x6h n VAL 76 N 0.00 -2.74 -4.13 1.61 0.31 -1.26 -4.96 118.33 107.16 1x6h n VAL 76 Ca 0.00 -0.45 -0.26 0.00 -0.01 0.00 0.00 64.34 63.63 1x6h n VAL 76 Cb 0.00 -2.47 -0.06 0.00 -0.91 0.00 0.00 33.84 30.40 1x6h n VAL 76 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1x6h s GLU 77 N -6.63 2.73 -0.45 5.55 4.04 -1.26 -5.06 118.70 117.61 1x6h s GLU 77 Ca 0.08 -0.98 0.07 0.00 0.04 0.00 0.00 54.97 54.18 1x6h s GLU 77 Cb -0.04 -2.53 0.33 0.00 0.02 0.00 0.00 34.13 31.91 1x6h s GLU 77 CO 0.90 0.46 1.12 0.41 -1.84 0.00 0.00 175.26 176.31 1x6h n GLY 78 N -0.39 0.87 3.91 -3.83 0.00 -1.26 -5.14 105.19 99.35 1x6h n GLY 78 Ca -0.09 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 0.07 3.54 0.25 1.61 0.41 -1.26 -5.11 118.70 118.23 1x6h s GLU 79 Ca 0.23 -0.25 -0.14 0.00 -0.41 0.00 0.00 54.97 54.39 1x6h s GLU 79 Cb 0.31 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1x6h s GLU 79 CO -0.06 0.49 0.52 1.21 -0.49 0.00 0.00 175.26 176.94 1x6h s ASN 80 N -2.66 -0.13 0.36 -0.19 3.84 -1.26 -5.19 114.94 109.72 1x6h s ASN 80 Ca 0.39 -0.86 0.04 0.00 0.21 0.00 0.00 52.86 52.63 1x6h s ASN 80 Cb -0.12 0.61 -0.05 0.00 -0.55 0.00 0.00 41.25 41.14 1x6h s ASN 80 CO 0.27 -1.18 0.07 -0.44 -2.79 0.00 0.00 177.10 173.03 1x6h s SER 81 N -3.00 2.65 0.00 -4.21 0.01 -1.26 -5.16 113.70 102.73 1x6h s SER 81 Ca 0.20 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1x6h s SER 81 Cb -0.02 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x6h s SER 81 CO 0.08 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1x6h n GLY 82 N -0.79 2.72 3.75 3.44 0.00 -1.26 -5.14 105.19 107.91 1x6h n GLY 82 Ca -0.04 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.96 4.43 0.51 1.61 0.04 -1.26 -5.04 135.00 133.34 1x6h s PRO 83 Ca 0.00 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1x6h s PRO 83 Cb 0.00 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.42 1x6h s PRO 83 CO 0.00 -0.13 0.71 -1.54 0.04 0.00 0.00 177.00 176.08 1x6h s SER 84 N -0.20 5.36 0.01 6.66 1.04 -1.26 -5.13 113.70 120.18 1x6h s SER 84 Ca 0.51 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.75 1x6h s SER 84 Cb -0.37 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 1x6h s SER 84 CO 0.44 -1.05 -0.04 -0.44 0.98 0.00 0.00 173.24 173.13 1x6h s SER 85 N -4.42 0.47 0.00 7.02 0.01 -1.26 -5.30 113.70 110.22 1x6h s SER 85 Ca 0.57 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1x6h s SER 85 Cb -0.10 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1x6h s SER 85 CO 0.37 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.61