#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 -0.37 0.15 1.61 1.04 -1.26 -5.15 113.70 109.72 1x6h s SER 2 Ca 0.00 1.01 -0.26 0.00 0.48 0.00 0.00 55.95 57.18 1x6h s SER 2 Cb 0.00 1.49 -0.07 0.00 0.10 0.00 0.00 66.02 67.53 1x6h s SER 2 CO 0.00 -0.24 0.80 -0.94 0.98 0.00 0.00 173.24 173.84 1x6h s SER 3 N 2.66 7.39 0.00 7.02 1.04 -1.26 -5.06 113.70 125.49 1x6h s SER 3 Ca -0.00 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1x6h s SER 3 Cb -0.12 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1x6h s SER 3 CO -0.14 0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1x6h n GLY 4 N 1.78 4.79 3.52 7.32 0.00 -1.26 -5.18 105.19 116.17 1x6h n GLY 4 Ca -0.04 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.27 3.37 0.08 1.61 0.01 -1.26 -5.16 113.70 112.08 1x6h s SER 5 Ca 0.00 -1.26 -0.03 0.00 1.31 0.00 0.00 55.95 55.97 1x6h s SER 5 Cb 0.00 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1x6h s SER 5 CO 0.00 -0.34 0.05 -0.44 0.41 0.00 0.00 173.24 172.92 1x6h s SER 6 N -3.58 0.35 0.00 2.44 0.01 -1.26 -5.12 113.70 106.54 1x6h s SER 6 Ca 0.33 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1x6h s SER 6 Cb 0.05 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1x6h s SER 6 CO 0.16 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1x6h n GLY 7 N 0.01 0.92 3.15 3.44 0.00 -1.26 -5.19 105.19 106.27 1x6h n GLY 7 Ca -0.12 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.63 -0.10 1.61 1.81 -1.26 -5.16 118.95 116.49 1x6h s ARG 8 Ca 0.00 -0.59 -0.11 0.00 -1.72 0.00 0.00 55.73 53.31 1x6h s ARG 8 Cb 0.00 0.26 -0.05 0.00 -0.45 0.00 0.00 34.95 34.71 1x6h s ARG 8 CO 0.00 -0.17 0.25 -0.08 -0.68 0.00 0.00 175.30 174.62 1x6h s THR 9 N -2.29 5.32 -0.31 0.02 -1.32 -1.26 -5.05 115.64 110.76 1x6h s THR 9 Ca -0.07 0.46 -0.29 0.00 -1.21 0.00 0.00 61.69 60.57 1x6h s THR 9 Cb -0.03 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 1x6h s THR 9 CO -0.03 0.56 1.31 -1.00 -2.21 0.00 0.00 174.62 173.25 1x6h s HIS 10 N -0.69 2.66 -0.69 9.09 0.09 -1.26 -4.91 115.29 119.58 1x6h s HIS 10 Ca 0.17 0.85 -0.02 0.00 -0.00 0.00 0.00 55.06 56.07 1x6h s HIS 10 Cb -0.14 -3.94 0.43 0.00 -0.00 0.00 0.00 32.58 28.94 1x6h s HIS 10 CO 0.06 -1.75 2.01 2.41 -0.00 0.00 0.00 174.74 177.48 1x6h n THR 11 N 6.27 3.60 0.00 1.30 -1.04 -1.26 -4.99 114.28 118.16 1x6h n THR 11 Ca 0.15 -3.24 0.00 0.00 -2.04 0.00 0.00 64.05 58.92 1x6h n THR 11 Cb 0.47 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1x6h n THR 11 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x6h n GLY 12 N -0.84 0.90 3.23 3.41 0.00 -1.26 -5.03 105.19 105.59 1x6h n GLY 12 Ca 0.61 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.70 2.47 -0.50 1.61 2.02 -1.26 -5.04 118.70 116.30 1x6h s GLU 13 Ca 0.00 -1.39 -0.34 0.00 0.02 0.00 0.00 54.97 53.26 1x6h s GLU 13 Cb 0.00 -3.52 -0.13 0.00 0.10 0.00 0.00 34.13 30.58 1x6h s GLU 13 CO 0.00 -0.81 2.31 1.63 0.02 0.00 0.00 175.26 178.41 1x6h n LYS 14 N 4.76 0.80 0.09 1.61 5.02 -1.26 -4.80 118.16 124.38 1x6h n LYS 14 Ca -0.10 0.17 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1x6h n LYS 14 Cb 0.43 -2.38 0.19 0.00 -0.02 0.00 0.00 35.03 33.25 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 13.28 0.24 -6.56 1.97 0.13 -1.80 -3.41 132.00 135.85 1x6h h PRO 15 Ca -0.21 -0.13 -0.57 0.00 -0.87 0.00 0.00 66.00 64.22 1x6h h PRO 15 Cb 1.32 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1x6h h PRO 15 CO 1.11 0.66 0.88 0.71 -0.23 0.00 0.00 178.00 181.14 1x6h s TYR 16 N -4.03 2.92 -0.20 1.56 1.51 -1.00 -4.95 117.35 113.16 1x6h s TYR 16 Ca -0.04 0.84 0.01 0.00 -1.01 0.00 0.00 57.07 56.87 1x6h s TYR 16 Cb 0.13 -4.19 0.02 0.00 -0.11 0.00 0.00 41.96 37.81 1x6h s TYR 16 CO 0.78 -1.11 -0.17 0.00 -1.11 0.00 0.00 175.55 173.94 1x6h s ALA 17 N 4.18 2.41 0.66 3.71 0.00 -1.26 0.34 121.76 131.79 1x6h s ALA 17 Ca 0.47 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1x6h s ALA 17 Cb -0.09 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1x6h s ALA 17 CO 0.27 -0.48 0.87 0.00 0.00 0.00 0.00 175.76 176.41 1x6h n SER 19 N -0.90 1.62 -0.04 0.00 7.64 -1.26 -4.38 113.62 116.30 1x6h n SER 19 Ca 0.13 0.13 -0.11 0.00 1.01 0.00 0.00 58.87 60.03 1x6h n SER 19 Cb 0.48 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.03 0.25 -4.53 1.43 3.86 -1.98 -3.46 115.15 110.76 1x6h h HIS 20 Ca -0.45 -0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.40 1x6h h HIS 20 Cb 2.02 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 30.36 1x6h h HIS 20 CO 0.04 0.36 -0.24 0.00 0.86 0.00 0.00 177.93 178.96 1x6h n ASP 22 N -1.15 7.05 -4.55 0.00 2.03 -1.26 -4.46 116.55 114.20 1x6h n ASP 22 Ca -0.10 -3.77 -0.30 0.00 0.52 0.00 0.00 54.79 51.14 1x6h n ASP 22 Cb 0.32 -1.01 -0.10 0.00 -0.72 0.00 0.00 41.12 39.60 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 -4.08 2.03 0.19 -0.67 -0.14 -1.26 -5.00 119.74 110.82 1x6h s LYS 23 Ca 0.47 -1.06 0.07 0.00 -1.36 0.00 0.00 55.97 54.08 1x6h s LYS 23 Cb 0.35 -2.25 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 1x6h s LYS 23 CO -0.29 0.50 -0.12 0.95 -0.76 0.00 0.00 175.35 175.63 1x6h s THR 24 N -1.19 1.53 0.05 2.17 -4.23 -1.26 -0.15 115.64 112.56 1x6h s THR 24 Ca 0.20 -2.16 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 1x6h s THR 24 Cb -0.11 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.75 1x6h s THR 24 CO 0.12 -0.63 0.31 -0.36 -0.54 0.00 0.00 174.62 173.52 1x6h s PHE 25 N -3.10 -0.10 -0.03 3.99 0.40 0.15 -4.98 117.98 114.31 1x6h s PHE 25 Ca 0.21 -0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.27 1x6h s PHE 25 Cb 0.01 0.10 -0.15 0.00 0.51 0.00 0.00 43.02 43.49 1x6h s PHE 25 CO 0.05 -0.52 0.92 0.07 0.70 0.00 0.00 175.22 176.45 1x6h h ARG 26 N 3.15 -0.32 -6.03 0.44 0.11 -1.90 -2.65 114.38 107.18 1x6h h ARG 26 Ca -0.32 0.02 -0.66 0.00 0.10 0.00 0.00 59.98 59.13 1x6h h ARG 26 Cb 1.20 0.07 -0.11 0.00 1.11 0.00 0.00 29.97 32.25 1x6h h ARG 26 CO 0.46 0.04 -0.59 -0.65 0.10 0.00 0.00 179.97 179.34 1x6h s GLN 27 N -3.72 3.01 0.18 0.08 -1.52 -1.26 -4.57 119.66 111.86 1x6h s GLN 27 Ca -0.12 -0.51 -0.17 0.00 -1.95 0.00 0.00 55.36 52.61 1x6h s GLN 27 Cb 0.01 -2.82 0.13 0.00 -0.22 0.00 0.00 33.01 30.10 1x6h s GLN 27 CO 0.45 0.64 1.65 -0.22 -0.25 0.00 0.00 175.29 177.57 1x6h h LYS 28 N 4.16 -0.04 -0.86 2.91 3.64 -1.97 -2.03 116.57 122.39 1x6h h LYS 28 Ca -0.49 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.02 1x6h h LYS 28 Cb 1.18 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 1x6h h LYS 28 CO 0.61 -0.02 -0.35 0.94 -2.27 0.00 0.00 179.45 178.36 1x6h n GLN 29 N -5.36 -0.22 -0.02 1.90 0.00 -1.26 0.31 117.38 112.74 1x6h n GLN 29 Ca 0.03 1.32 -0.09 0.00 -0.00 0.00 0.00 57.00 58.26 1x6h n GLN 29 Cb 0.26 -1.95 -0.02 0.00 0.00 0.00 0.00 30.24 28.53 1x6h n GLN 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1x6h h LEU 30 N 0.00 -0.70 -2.07 1.69 -0.00 -1.79 0.23 115.31 112.67 1x6h h LEU 30 Ca 0.28 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1x6h h LEU 30 Cb 0.50 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1x6h h LEU 30 CO -0.85 -0.27 0.00 0.25 -0.00 0.00 0.00 178.44 177.58 1x6h h LEU 31 N -0.25 0.00 0.14 1.67 5.85 -0.09 0.05 115.31 122.67 1x6h h LEU 31 Ca 0.12 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 1x6h h LEU 31 Cb 0.43 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.48 1x6h h LEU 31 CO -0.33 0.00 -0.86 -0.78 -0.34 0.00 0.00 178.44 176.13 1x6h h ASP 32 N 0.00 0.45 0.75 1.25 1.82 0.27 -3.22 116.42 117.75 1x6h h ASP 32 Ca 0.00 -0.94 -0.16 0.00 -0.39 0.00 0.00 57.03 55.54 1x6h h ASP 32 Cb 0.25 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 1x6h h ASP 32 CO 0.00 1.41 -0.74 0.00 -1.61 0.00 0.00 179.24 178.30 1x6h h MET 33 N -0.38 0.00 -0.71 0.28 -0.00 -0.36 -3.15 114.93 110.61 1x6h h MET 33 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1x6h h MET 33 Cb 1.64 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.21 1x6h h MET 33 CO 0.14 0.74 0.38 1.25 -0.00 0.00 0.00 176.91 179.42 1x6h h HIS 34 N 0.00 0.99 0.31 -0.10 -0.00 -1.10 0.79 115.15 116.04 1x6h h HIS 34 Ca -0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 1x6h h HIS 34 Cb 1.32 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1x6h h HIS 34 CO 0.00 0.71 -0.15 0.35 -0.00 0.00 0.00 177.93 178.84 1x6h h PHE 35 N 0.98 -0.39 0.00 5.26 3.04 -1.56 0.25 116.94 124.53 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 0.05 0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1x6h h PHE 35 CO -0.00 -0.10 0.00 1.63 -2.02 0.00 0.00 178.31 177.82 1x6h n LYS 36 N -5.17 0.19 -0.06 1.11 4.76 -1.17 -1.65 118.16 116.16 1x6h n LYS 36 Ca -0.10 0.16 -0.06 0.00 -2.87 0.00 0.00 58.31 55.44 1x6h n LYS 36 Cb 0.25 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.31 0.39 0.07 1.97 0.63 0.26 -2.20 116.66 116.47 1x6h n ARG 37 Ca 0.07 0.25 -0.03 0.00 -0.92 0.00 0.00 57.85 57.22 1x6h n ARG 37 Cb 0.12 -1.29 -0.02 0.00 0.45 0.00 0.00 32.46 31.72 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 -0.19 0.00 -0.14 -1.99 -0.55 -3.23 116.97 110.09 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 0.66 0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1x6h h TYR 38 CO -0.28 -0.12 0.00 0.72 -0.00 0.00 0.00 178.16 178.48 1x6h n HIS 39 N -3.45 0.22 -3.59 4.88 8.25 -0.66 -4.24 115.22 116.63 1x6h n HIS 39 Ca -0.03 0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.36 1x6h n HIS 39 Cb 0.08 -0.69 -0.15 0.00 1.12 0.00 0.00 29.99 30.36 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 -3.31 1.24 0.00 0.41 1.01 -0.97 -4.97 116.67 110.08 1x6h s ASP 40 Ca -0.01 -0.02 0.15 0.00 0.71 0.00 0.00 52.55 53.38 1x6h s ASP 40 Cb 0.02 0.24 0.84 0.00 1.01 0.00 0.00 42.92 45.03 1x6h s ASP 40 CO 0.06 -0.29 1.37 -0.81 0.21 0.00 0.00 175.17 175.71 1x6h n PRO 41 N 5.32 0.35 0.26 8.23 -0.04 -1.24 -3.17 135.00 144.72 1x6h n PRO 41 Ca -0.05 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1x6h n PRO 41 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.59 -2.31 3.54 4.21 -1.83 -3.43 115.58 115.17 1x6h h ASN 42 Ca 0.00 0.02 -0.57 0.00 1.21 0.00 0.00 56.30 56.96 1x6h h ASN 42 Cb 0.07 0.15 0.05 0.00 -1.12 0.00 0.00 38.32 37.47 1x6h h ASN 42 CO 0.00 -0.32 0.94 0.33 -1.29 0.00 0.00 177.43 177.09 1x6h n PHE 43 N -4.46 2.40 -3.76 1.19 -0.00 -0.93 -4.98 117.46 106.91 1x6h n PHE 43 Ca -0.09 0.11 -0.23 0.00 -0.00 0.00 0.00 57.45 57.25 1x6h n PHE 43 Cb 0.28 -2.62 -0.18 0.00 -0.00 0.00 0.00 39.48 36.96 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 1.88 0.34 0.11 -2.13 0.11 -1.26 -4.60 120.40 114.85 1x6h s VAL 44 Ca 0.82 0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 59.67 1x6h s VAL 44 Cb -0.63 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 33.62 1x6h s VAL 44 CO 0.40 0.23 1.36 -2.16 -3.33 0.00 0.00 175.10 171.60 1x6h s PRO 45 N 1.98 4.34 -0.48 1.54 0.04 -1.26 -4.97 135.00 136.20 1x6h s PRO 45 Ca 0.05 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1x6h s PRO 45 Cb -0.12 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1x6h s PRO 45 CO -0.05 -0.41 1.22 0.00 0.04 0.00 0.00 177.00 177.81 1x6h s ALA 46 N 1.05 3.09 -0.35 8.56 0.00 -1.26 -4.99 121.76 127.86 1x6h s ALA 46 Ca 0.63 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 1x6h s ALA 46 Cb -0.36 -3.93 0.05 0.00 0.00 0.00 0.00 23.12 18.88 1x6h s ALA 46 CO 0.30 -2.37 0.12 0.00 0.00 0.00 0.00 175.76 173.81 1x6h s ALA 47 N 4.83 3.06 -0.18 0.00 0.00 -1.26 -4.63 121.76 123.57 1x6h s ALA 47 Ca 0.51 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 1x6h s ALA 47 Cb -0.09 -2.29 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1x6h s ALA 47 CO 0.31 -1.41 0.00 -0.06 0.00 0.00 0.00 175.76 174.61 1x6h s PHE 48 N 1.36 1.31 -0.01 0.00 0.40 -1.22 -5.04 117.98 114.79 1x6h s PHE 48 Ca -0.01 -0.96 0.06 0.00 -0.60 0.00 0.00 56.93 55.42 1x6h s PHE 48 Cb -0.20 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1x6h s PHE 48 CO 0.02 -0.61 -0.18 0.54 0.70 0.00 0.00 175.22 175.69 1x6h s VAL 49 N 1.76 2.72 0.80 -0.44 0.11 -1.26 0.36 120.40 124.45 1x6h s VAL 49 Ca -0.01 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 57.94 1x6h s VAL 49 Cb -0.16 -2.06 0.08 0.00 -1.53 0.00 0.00 36.38 32.70 1x6h s VAL 49 CO -0.07 0.50 1.18 0.00 -3.33 0.00 0.00 175.10 173.38 1x6h n SER 51 N -3.28 1.08 -0.06 0.00 2.88 -1.26 -3.02 113.62 109.95 1x6h n SER 51 Ca 0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 1x6h n SER 51 Cb 0.51 1.76 -0.12 0.00 -0.75 0.00 0.00 64.21 65.62 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 -0.00 0.00 -1.46 1.57 -1.95 -3.41 116.57 111.31 1x6h h LYS 52 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 1x6h h LYS 52 Cb 0.81 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 1x6h h LYS 52 CO 0.00 0.88 -2.21 0.00 -0.57 0.00 0.00 179.45 177.56 1x6h n GLY 54 N 2.22 1.58 3.76 0.00 0.00 -1.17 -4.68 105.19 106.89 1x6h n GLY 54 Ca -0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.31 4.74 0.01 1.61 1.02 -1.26 -4.63 119.74 120.92 1x6h s LYS 55 Ca 0.00 1.61 -0.22 0.00 0.02 0.00 0.00 55.97 57.38 1x6h s LYS 55 Cb 0.00 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1x6h s LYS 55 CO 0.00 0.37 0.64 0.95 -0.92 0.00 0.00 175.35 176.39 1x6h s THR 56 N -1.20 4.86 0.35 2.17 -4.23 -1.26 -0.16 115.64 116.16 1x6h s THR 56 Ca 0.43 1.34 0.06 0.00 -1.18 0.00 0.00 61.69 62.34 1x6h s THR 56 Cb -0.28 -3.98 -0.07 0.00 1.34 0.00 0.00 72.50 69.52 1x6h s THR 56 CO 0.35 0.40 0.00 -0.36 -0.54 0.00 0.00 174.62 174.48 1x6h s PHE 57 N -0.15 2.21 -0.22 3.99 0.40 0.16 -4.97 117.98 119.40 1x6h s PHE 57 Ca 0.33 -0.76 0.09 0.00 -0.60 0.00 0.00 56.93 55.99 1x6h s PHE 57 Cb -0.19 -1.44 -0.19 0.00 0.51 0.00 0.00 43.02 41.71 1x6h s PHE 57 CO 0.19 0.27 -0.08 0.25 0.70 0.00 0.00 175.22 176.54 1x6h n THR 58 N -0.78 1.35 -4.59 0.64 -2.24 -1.26 -3.43 114.28 103.96 1x6h n THR 58 Ca -0.04 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 1x6h n THR 58 Cb 0.66 -0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.47 1.61 0.01 -0.78 0.52 -1.26 -4.64 118.95 111.93 1x6h s ARG 59 Ca -0.22 -1.23 -0.20 0.00 -0.52 0.00 0.00 55.73 53.56 1x6h s ARG 59 Cb 0.07 -1.96 -0.11 0.00 0.52 0.00 0.00 34.95 33.48 1x6h s ARG 59 CO 0.66 0.48 0.99 -0.09 0.02 0.00 0.00 175.30 177.36 1x6h h ARG 60 N 4.25 -0.68 -1.27 3.54 2.43 -1.94 -2.16 114.38 118.55 1x6h h ARG 60 Ca -0.49 0.05 0.43 0.00 -0.81 0.00 0.00 59.98 59.15 1x6h h ARG 60 Cb 1.16 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 30.73 1x6h h ARG 60 CO 0.42 -0.45 0.80 -0.91 -1.51 0.00 0.00 179.97 178.31 1x6h h ASN 61 N -0.92 0.27 -0.26 -3.80 4.21 -1.98 1.11 115.58 114.20 1x6h h ASN 61 Ca -0.07 0.16 -0.17 0.00 1.21 0.00 0.00 56.30 57.43 1x6h h ASN 61 Cb 0.54 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1x6h h ASN 61 CO 0.12 -0.21 -0.48 0.74 -1.29 0.00 0.00 177.43 176.30 1x6h h THR 62 N 0.09 1.29 0.12 2.81 2.02 -1.97 -2.76 112.91 114.50 1x6h h THR 62 Ca 0.82 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1x6h h THR 62 Cb 2.50 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 1x6h h THR 62 CO -0.47 0.54 -0.06 -0.03 0.37 0.00 0.00 175.52 175.87 1x6h h MET 63 N 0.55 -0.15 -0.73 6.66 -1.53 0.17 -2.65 114.93 117.25 1x6h h MET 63 Ca 0.01 0.01 0.16 0.00 -3.44 0.00 0.00 59.70 56.45 1x6h h MET 63 Cb 1.09 0.03 -0.11 0.00 -0.55 0.00 0.00 31.60 32.06 1x6h h MET 63 CO 0.11 0.32 0.14 0.00 0.14 0.00 0.00 176.91 177.62 1x6h h ALA 64 N 0.02 0.91 -0.69 0.39 0.00 -0.53 0.21 119.26 119.58 1x6h h ALA 64 Ca -0.02 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1x6h h ALA 64 Cb 0.54 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1x6h h ALA 64 CO 0.03 -0.36 0.28 0.00 0.00 0.00 0.00 179.25 179.19 1x6h h ARG 65 N 0.23 1.02 -0.21 0.00 3.08 -1.53 -2.13 114.38 114.84 1x6h h ARG 65 Ca 0.41 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1x6h h ARG 65 Cb 0.71 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1x6h h ARG 65 CO -0.54 0.85 0.06 1.25 -1.07 0.00 0.00 179.97 180.52 1x6h h HIS 66 N 0.97 0.35 -0.81 3.04 2.76 -0.53 -2.84 115.15 118.09 1x6h h HIS 66 Ca 0.23 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.42 1x6h h HIS 66 Cb 0.20 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 1x6h h HIS 66 CO 0.01 0.43 0.53 0.00 -1.30 0.00 0.00 177.93 177.61 1x6h h ALA 67 N 0.88 1.61 0.22 5.26 0.00 -0.54 0.32 119.26 127.00 1x6h h ALA 67 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x6h h ALA 67 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x6h h ALA 67 CO -0.00 0.27 -0.22 0.22 0.00 0.00 0.00 179.25 179.52 1x6h h ASP 68 N 0.89 -0.59 -0.04 0.00 3.58 -1.15 -1.83 116.42 117.28 1x6h h ASP 68 Ca 0.35 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1x6h h ASP 68 Cb 0.23 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1x6h h ASP 68 CO -0.12 -0.32 0.00 0.59 -2.88 0.00 0.00 179.24 176.50 1x6h n ASN 69 N -5.34 0.80 -4.82 2.28 3.02 -0.99 -4.88 115.26 105.33 1x6h n ASN 69 Ca -0.08 -1.39 -0.33 0.00 -0.03 0.00 0.00 54.58 52.75 1x6h n ASN 69 Cb 0.25 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.83 1.87 0.00 0.00 0.00 -1.26 -4.96 120.51 115.33 1x6h n ALA 71 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1x6h n ALA 71 Cb 0.54 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 2.49 -0.31 0.06 0.00 0.00 -1.26 -4.91 105.19 101.26 1x6h n GLY 72 Ca 0.00 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 0.09 -2.71 1.61 -0.04 -1.25 -4.37 135.00 128.32 1x6h n PRO 73 Ca 0.00 0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 1x6h n PRO 73 Cb 0.00 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1x6h n PRO 73 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x6h s ASP 74 N -3.58 6.59 -0.29 3.54 1.01 -1.26 -4.97 116.67 117.71 1x6h s ASP 74 Ca 0.05 0.35 -0.20 0.00 0.71 0.00 0.00 52.55 53.46 1x6h s ASP 74 Cb 0.09 -2.50 0.14 0.00 1.01 0.00 0.00 42.92 41.66 1x6h s ASP 74 CO 0.32 -1.12 1.03 -0.83 0.21 0.00 0.00 175.17 174.78 1x6h s GLY 75 N 2.30 -0.02 -0.17 0.21 0.00 -1.26 -4.87 107.32 103.51 1x6h s GLY 75 Ca 0.42 3.02 -0.31 0.00 0.00 0.00 0.00 44.72 47.86 1x6h s GLY 75 CO 0.28 2.28 1.10 0.54 0.00 0.00 0.00 173.10 177.30 1x6h s VAL 76 N 0.85 0.00 -0.93 1.40 0.11 -1.26 -5.01 120.40 115.56 1x6h s VAL 76 Ca -0.04 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1x6h s VAL 76 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1x6h s VAL 76 CO -0.12 0.00 0.78 1.21 -3.33 0.00 0.00 175.10 173.64 1x6h n GLU 77 N 0.40 -5.15 0.00 1.54 4.07 -1.26 -4.97 120.64 115.27 1x6h n GLU 77 Ca -0.06 0.65 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1x6h n GLU 77 Cb 0.59 -5.08 0.00 0.00 -0.06 0.00 0.00 31.44 26.88 1x6h n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x6h n GLY 78 N -1.14 -2.44 3.69 8.31 0.00 -1.26 -4.97 105.19 107.38 1x6h n GLY 78 Ca -0.21 0.32 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.61 0.92 0.56 1.61 -1.05 -1.26 -5.19 118.70 113.68 1x6h s GLU 79 Ca 0.00 -0.50 0.08 0.00 -0.15 0.00 0.00 54.97 54.41 1x6h s GLU 79 Cb 0.00 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 34.08 1x6h s GLU 79 CO 0.00 -0.42 0.67 0.54 0.95 0.00 0.00 175.26 177.00 1x6h s ASN 80 N -2.89 5.00 0.14 0.83 2.20 -1.26 -5.03 114.94 113.93 1x6h s ASN 80 Ca 0.12 -0.93 -0.32 0.00 -0.94 0.00 0.00 52.86 50.78 1x6h s ASN 80 Cb 0.00 0.28 -0.10 0.00 -2.00 0.00 0.00 41.25 39.43 1x6h s ASN 80 CO -0.01 -1.24 1.55 0.28 -2.94 0.00 0.00 177.10 174.74 1x6h h SER 81 N 0.36 -1.86 -4.01 3.54 0.02 -2.07 -3.48 113.55 106.06 1x6h h SER 81 Ca -0.32 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1x6h h SER 81 Cb 1.29 0.77 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1x6h h SER 81 CO 0.46 -0.39 -0.50 0.61 -1.14 0.00 0.00 176.83 175.87 1x6h n GLY 82 N -1.37 -3.77 2.50 -3.77 0.00 -1.26 -5.00 105.19 92.53 1x6h n GLY 82 Ca -0.03 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.24 -2.54 -4.38 1.61 -0.04 -1.26 -5.09 135.00 122.05 1x6h n PRO 83 Ca 0.00 -1.25 -0.19 0.00 -0.04 0.00 0.00 63.50 62.02 1x6h n PRO 83 Cb 0.07 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 1x6h n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6h s SER 84 N -3.61 2.08 0.30 3.54 0.15 -1.26 -5.17 113.70 109.73 1x6h s SER 84 Ca 0.51 -1.28 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 1x6h s SER 84 Cb -0.05 -0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1x6h s SER 84 CO 0.39 -0.53 0.45 -0.55 1.20 0.00 0.00 173.24 174.20 1x6h s SER 85 N -3.38 0.54 0.00 5.45 0.15 -1.26 -5.36 113.70 109.83 1x6h s SER 85 Ca 0.32 -1.31 0.06 0.00 0.70 0.00 0.00 55.95 55.72 1x6h s SER 85 Cb 0.07 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 1x6h s SER 85 CO 0.12 -1.22 0.69 0.61 1.20 0.00 0.00 173.24 174.64