#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s TRP 2 N 0.00 3.72 0.23 0.66 1.48 -1.26 -5.08 118.94 118.69 3g6e s TRP 2 Ca 0.00 1.69 -0.08 0.00 -1.06 0.00 0.00 56.10 56.65 3g6e s TRP 2 Cb 0.00 -2.85 -0.07 0.00 -1.16 0.00 0.00 33.47 29.40 3g6e s TRP 2 CO 0.00 0.28 0.52 -0.51 -4.06 0.00 0.00 176.95 173.18 3g6e s ASP 3 N -1.56 6.58 -0.07 -2.66 1.01 -1.26 -5.05 116.67 113.65 3g6e s ASP 3 Ca 0.47 0.84 -0.15 0.00 0.71 0.00 0.00 52.55 54.42 3g6e s ASP 3 Cb -0.19 -2.19 -0.11 0.00 1.01 0.00 0.00 42.92 41.44 3g6e s ASP 3 CO 0.24 -0.07 0.56 0.58 0.21 0.00 0.00 175.17 176.69 3g6e h VAL 4 N 1.91 0.55 -3.40 -1.27 2.07 -1.97 -3.41 116.25 110.73 3g6e h VAL 4 Ca -0.47 -1.14 -0.59 0.00 0.82 0.00 0.00 66.70 65.32 3g6e h VAL 4 Cb 1.17 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 3g6e h VAL 4 CO 0.69 0.16 0.20 -0.63 0.02 0.00 0.00 177.57 178.02 3g6e s ILE 5 N -2.71 4.97 -0.15 4.57 1.01 -1.26 -1.81 121.20 125.82 3g6e s ILE 5 Ca -0.09 1.28 -0.12 0.00 0.00 0.00 0.00 60.65 61.72 3g6e s ILE 5 Cb -0.00 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 3g6e s ILE 5 CO 0.32 0.06 0.08 0.11 0.00 0.00 0.00 174.94 175.51 3g6e h LYS 6 N 7.56 0.00 -1.91 2.79 1.57 -1.71 -3.49 116.57 121.38 3g6e h LYS 6 Ca -0.29 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.67 3g6e h LYS 6 Cb 1.13 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.28 3g6e h LYS 6 CO 0.79 0.36 0.64 -3.38 -0.57 0.00 0.00 179.45 177.30 3g6e s HIS 7 N -2.10 -0.24 0.32 -1.35 -3.43 -1.14 -5.05 115.29 102.31 3g6e s HIS 7 Ca -0.15 0.13 -0.27 0.00 -0.80 0.00 0.00 55.06 53.97 3g6e s HIS 7 Cb 0.02 0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 31.61 3g6e s HIS 7 CO 0.31 -0.40 1.03 -2.14 -2.00 0.00 0.00 174.74 171.54 3g6e s PRO 8 N -2.80 4.51 -0.57 -0.38 0.02 -1.26 -0.95 135.00 133.57 3g6e s PRO 8 Ca 0.07 1.57 -0.20 0.00 0.02 0.00 0.00 61.00 62.46 3g6e s PRO 8 Cb -0.01 -2.92 0.07 0.00 0.02 0.00 0.00 34.50 31.66 3g6e s PRO 8 CO -0.07 0.16 0.75 -1.58 -0.33 0.00 0.00 177.00 175.93 3g6e s HIS 9 N -1.41 2.94 -0.44 6.54 2.46 0.21 -4.75 115.29 120.83 3g6e s HIS 9 Ca 0.49 -0.63 -0.03 0.00 0.47 0.00 0.00 55.06 55.36 3g6e s HIS 9 Cb -0.25 -3.89 0.12 0.00 -0.13 0.00 0.00 32.58 28.42 3g6e s HIS 9 CO 0.32 -1.27 0.24 0.54 -2.47 0.00 0.00 174.74 172.11 3g6e s VAL 10 N 3.04 3.40 0.37 0.89 0.11 -1.26 -4.53 120.40 122.43 3g6e s VAL 10 Ca 0.17 -2.15 0.05 0.00 -2.93 0.00 0.00 61.98 57.11 3g6e s VAL 10 Cb -0.20 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.31 3g6e s VAL 10 CO 0.10 -0.72 0.18 0.42 -3.33 0.00 0.00 175.10 171.76 3g6e s THR 11 N 1.01 0.35 0.26 5.04 -4.23 -1.26 -5.03 115.64 111.78 3g6e s THR 11 Ca 0.09 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3g6e s THR 11 Cb -0.23 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.34 3g6e s THR 11 CO -0.04 0.00 1.79 -0.33 -0.54 0.00 0.00 174.62 175.50 3g6e h GLU 12 N 1.95 0.85 0.00 3.99 5.08 -2.00 -2.21 114.58 122.25 3g6e h GLU 12 Ca -0.31 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 3g6e h GLU 12 Cb 1.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3g6e h GLU 12 CO 0.49 0.80 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.63 3g6e h LYS 13 N 0.81 0.00 0.00 2.33 3.64 -1.98 -2.22 116.57 119.15 3g6e h LYS 13 Ca 0.17 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3g6e h LYS 13 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3g6e h LYS 13 CO 0.01 0.45 -0.62 0.00 -2.27 0.00 0.00 179.45 177.01 3g6e h ALA 14 N 1.55 0.87 0.09 5.00 0.00 -1.74 -2.84 119.26 122.21 3g6e h ALA 14 Ca -0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 54.91 54.08 3g6e h ALA 14 Cb 0.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3g6e h ALA 14 CO 0.06 0.78 -1.16 0.52 0.00 0.00 0.00 179.25 179.44 3g6e h MET 15 N 0.00 0.24 0.00 0.00 2.86 -1.07 -2.77 114.93 114.19 3g6e h MET 15 Ca -0.01 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 3g6e h MET 15 Cb 1.17 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 3g6e h MET 15 CO 0.08 1.17 -0.31 -0.91 1.06 0.00 0.00 176.91 178.00 3g6e h ASN 16 N 0.08 0.00 1.38 1.22 2.35 -1.34 0.16 115.58 119.43 3g6e h ASN 16 Ca -0.11 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 3g6e h ASN 16 Cb 1.89 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.24 3g6e h ASN 16 CO 0.19 0.31 -0.64 0.44 -1.65 0.00 0.00 177.43 176.08 3g6e h ASP 17 N 0.00 0.00 0.10 5.81 5.19 -1.52 -2.77 116.42 123.23 3g6e h ASP 17 Ca -0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 3g6e h ASP 17 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3g6e h ASP 17 CO 0.04 0.38 -1.04 -0.03 -3.12 0.00 0.00 179.24 175.46 3g6e h MET 18 N 0.00 0.21 -0.10 3.56 4.05 -1.06 0.19 114.93 121.77 3g6e h MET 18 Ca -0.03 -0.36 -0.22 0.00 -0.28 0.00 0.00 59.70 58.80 3g6e h MET 18 Cb 1.32 0.13 0.01 0.00 -0.80 0.00 0.00 31.60 32.26 3g6e h MET 18 CO 0.04 1.17 -0.82 -0.44 0.23 0.00 0.00 176.91 177.10 3g6e h ASP 19 N -0.47 0.81 0.00 1.39 3.32 -0.84 -3.29 116.42 117.34 3g6e h ASP 19 Ca -0.22 -0.56 -0.37 0.00 0.02 0.00 0.00 57.03 55.90 3g6e h ASP 19 Cb 1.59 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.84 3g6e h ASP 19 CO 0.06 1.34 -2.38 0.49 -1.72 0.00 0.00 179.24 177.03 3g6e n PHE 20 N -3.89 0.00 0.31 4.55 0.99 -1.04 -4.73 117.46 113.65 3g6e n PHE 20 Ca -0.07 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.46 3g6e n PHE 20 Cb 0.77 -0.93 0.13 0.00 -1.00 0.00 0.00 39.48 38.45 3g6e n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3g6e n GLN 21 N -3.32 1.90 -3.10 -1.08 6.02 -1.01 -4.99 117.38 111.79 3g6e n GLN 21 Ca -0.44 -1.82 -0.22 0.00 -0.01 0.00 0.00 57.00 54.51 3g6e n GLN 21 Cb 0.94 -1.35 0.04 0.00 1.02 0.00 0.00 30.24 30.90 3g6e n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3g6e n ASN 22 N 0.96 -6.09 -4.47 1.08 5.15 -0.59 -4.86 115.26 106.45 3g6e n ASN 22 Ca 0.13 -0.32 -0.33 0.00 -0.60 0.00 0.00 54.58 53.45 3g6e n ASN 22 Cb 0.45 -4.87 -0.13 0.00 -0.53 0.00 0.00 39.78 34.71 3g6e n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3g6e s LYS 23 N -5.78 3.28 -0.13 1.20 1.02 0.55 -2.18 119.74 117.69 3g6e s LYS 23 Ca 0.34 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.69 3g6e s LYS 23 Cb -0.15 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 3g6e s LYS 23 CO 0.43 0.36 0.02 -0.51 -0.92 0.00 0.00 175.35 174.73 3g6e s LEU 24 N 0.01 3.66 -0.17 3.17 1.43 0.41 -2.87 118.68 124.32 3g6e s LEU 24 Ca -0.02 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3g6e s LEU 24 Cb -0.14 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3g6e s LEU 24 CO 0.03 0.27 0.05 -1.10 0.23 0.00 0.00 176.35 175.83 3g6e s GLN 25 N -0.24 3.83 0.07 1.70 -0.21 -1.26 -0.74 119.66 122.81 3g6e s GLN 25 Ca 0.06 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.15 3g6e s GLN 25 Cb -0.12 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.72 3g6e s GLN 25 CO 0.02 0.33 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.29 3g6e s PHE 26 N 0.18 1.49 -0.38 0.91 0.40 0.10 -0.62 117.98 120.06 3g6e s PHE 26 Ca 0.04 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 3g6e s PHE 26 Cb -0.12 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.56 3g6e s PHE 26 CO 0.01 0.11 0.33 0.00 0.70 0.00 0.00 175.22 176.37 3g6e s ALA 27 N -1.10 3.48 0.50 5.36 0.00 -0.12 -0.09 121.76 129.79 3g6e s ALA 27 Ca 0.03 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.59 3g6e s ALA 27 Cb -0.09 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3g6e s ALA 27 CO 0.03 -1.26 0.26 0.14 0.00 0.00 0.00 175.76 174.92 3g6e s VAL 28 N 1.89 1.76 0.17 0.00 -7.23 0.14 -2.08 120.40 115.05 3g6e s VAL 28 Ca 0.09 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 3g6e s VAL 28 Cb -0.17 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 3g6e s VAL 28 CO 0.11 0.00 1.11 -0.62 -0.31 0.00 0.00 175.10 175.39 3g6e s ASP 29 N -4.09 7.25 0.00 4.85 -1.08 -0.75 -2.91 116.67 119.93 3g6e s ASP 29 Ca 0.30 2.09 0.08 0.00 -0.52 0.00 0.00 52.55 54.51 3g6e s ASP 29 Cb 0.00 -2.60 0.38 0.00 -1.46 0.00 0.00 42.92 39.24 3g6e s ASP 29 CO 0.18 -0.24 1.21 -0.90 0.52 0.00 0.00 175.17 175.94 3g6e n ASP 30 N 2.45 0.00 -0.60 -0.34 5.75 -1.26 -1.59 116.55 120.95 3g6e n ASP 30 Ca 0.03 0.36 0.12 0.00 -0.01 0.00 0.00 54.79 55.29 3g6e n ASP 30 Cb 0.46 -0.41 0.16 0.00 -1.03 0.00 0.00 41.12 40.30 3g6e n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3g6e n ARG 31 N -1.41 1.56 -3.12 0.11 1.74 -1.26 -4.92 116.66 109.37 3g6e n ARG 31 Ca 0.03 -1.21 -0.39 0.00 -0.77 0.00 0.00 57.85 55.51 3g6e n ARG 31 Cb 0.08 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3g6e n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g6e s ALA 32 N -2.27 3.40 0.80 7.54 0.00 -0.62 -5.08 121.76 125.52 3g6e s ALA 32 Ca 0.25 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.20 3g6e s ALA 32 Cb 0.19 -2.86 0.12 0.00 0.00 0.00 0.00 23.12 20.57 3g6e s ALA 32 CO 0.45 -0.00 1.13 -1.54 0.00 0.00 0.00 175.76 175.79 3g6e s SER 33 N 0.42 4.15 0.20 0.00 1.04 -1.26 -4.89 113.70 113.36 3g6e s SER 33 Ca 0.34 0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.95 3g6e s SER 33 Cb -0.18 -0.66 0.14 0.00 0.10 0.00 0.00 66.02 65.43 3g6e s SER 33 CO 0.17 -2.05 1.78 0.11 0.98 0.00 0.00 173.24 174.24 3g6e h LYS 34 N -0.97 1.09 -0.15 4.02 1.57 -1.98 -1.25 116.57 118.90 3g6e h LYS 34 Ca -0.43 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.08 3g6e h LYS 34 Cb 1.28 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3g6e h LYS 34 CO 0.50 0.86 -0.35 0.78 -0.57 0.00 0.00 179.45 180.67 3g6e h GLY 35 N 1.06 0.33 1.89 3.86 0.00 -1.96 -1.44 103.07 106.82 3g6e h GLY 35 Ca 0.25 -0.30 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 3g6e h GLY 35 CO -0.03 0.27 -0.87 0.83 0.00 0.00 0.00 176.54 176.74 3g6e h GLU 36 N 0.27 0.10 -0.04 4.80 5.08 -1.87 -2.51 114.58 120.41 3g6e h GLU 36 Ca 0.03 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 3g6e h GLU 36 Cb 0.75 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3g6e h GLU 36 CO 0.06 0.90 -0.76 0.28 -1.00 0.00 0.00 179.01 178.50 3g6e h VAL 37 N 0.05 1.43 0.07 3.13 2.07 -1.02 -2.69 116.25 119.29 3g6e h VAL 37 Ca -0.03 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 3g6e h VAL 37 Cb 1.51 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3g6e h VAL 37 CO 0.12 0.68 -0.03 0.00 0.02 0.00 0.00 177.57 178.36 3g6e h ALA 38 N 1.04 -0.09 -0.24 1.67 0.00 -1.19 -2.81 119.26 117.64 3g6e h ALA 38 Ca -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3g6e h ALA 38 Cb 1.33 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3g6e h ALA 38 CO 0.12 -0.41 0.15 -0.44 0.00 0.00 0.00 179.25 178.67 3g6e h ASP 39 N -0.37 0.25 -0.04 0.00 3.32 -1.49 -2.67 116.42 115.42 3g6e h ASP 39 Ca -0.01 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3g6e h ASP 39 Cb 0.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3g6e h ASP 39 CO 0.02 0.18 -0.04 0.00 -1.72 0.00 0.00 179.24 177.68 3g6e h ALA 40 N 1.09 1.65 -0.02 3.45 0.00 -1.52 -0.85 119.26 123.07 3g6e h ALA 40 Ca 0.09 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 3g6e h ALA 40 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g6e h ALA 40 CO -0.03 0.26 -0.88 0.28 0.00 0.00 0.00 179.25 178.88 3g6e h VAL 41 N 0.21 1.41 -0.26 0.00 2.07 -1.26 -2.52 116.25 115.91 3g6e h VAL 41 Ca 0.05 -2.39 -0.19 0.00 0.82 0.00 0.00 66.70 64.99 3g6e h VAL 41 Cb 0.22 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3g6e h VAL 41 CO 0.01 0.71 -0.59 -0.33 0.02 0.00 0.00 177.57 177.39 3g6e h GLU 42 N 0.23 0.84 0.00 1.57 5.08 -1.09 -1.98 114.58 119.22 3g6e h GLU 42 Ca -0.06 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 3g6e h GLU 42 Cb 1.49 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3g6e h GLU 42 CO 0.15 1.19 0.00 0.39 -1.00 0.00 0.00 179.01 179.73 3g6e n GLU 43 N -3.99 0.20 -0.07 2.33 1.02 -0.37 -1.59 120.64 118.16 3g6e n GLU 43 Ca -0.05 0.24 -0.07 0.00 -0.02 0.00 0.00 57.16 57.27 3g6e n GLU 43 Cb 0.65 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 3g6e n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3g6e n GLN 44 N -2.12 1.68 0.00 3.49 1.13 -0.95 -4.73 117.38 115.88 3g6e n GLN 44 Ca 0.05 -0.01 0.01 0.00 -1.94 0.00 0.00 57.00 55.11 3g6e n GLN 44 Cb 0.35 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.34 3g6e n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3g6e n TYR 45 N -2.51 0.00 -3.31 1.08 4.02 -0.75 -5.05 117.16 110.65 3g6e n TYR 45 Ca -0.22 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.50 3g6e n TYR 45 Cb 0.94 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.32 3g6e n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3g6e n ASP 46 N -0.71 -6.52 -4.24 7.72 4.64 -0.62 -5.05 116.55 111.77 3g6e n ASP 46 Ca 0.01 -0.72 -0.19 0.00 -1.38 0.00 0.00 54.79 52.51 3g6e n ASP 46 Cb 0.06 -4.91 -0.10 0.00 -1.04 0.00 0.00 41.12 35.12 3g6e n ASP 46 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3g6e s VAL 47 N -3.37 0.61 -0.22 5.18 -7.23 -1.25 -5.09 120.40 109.03 3g6e s VAL 47 Ca 0.43 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3g6e s VAL 47 Cb -0.07 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.29 3g6e s VAL 47 CO 0.76 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.55 3g6e s THR 48 N -3.59 2.54 -0.03 5.32 2.01 -1.26 -4.52 115.64 116.10 3g6e s THR 48 Ca 0.36 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.13 3g6e s THR 48 Cb 0.07 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 3g6e s THR 48 CO 0.15 0.31 0.57 -0.69 -0.69 0.00 0.00 174.62 174.27 3g6e s VAL 49 N 1.30 4.99 -0.27 3.82 1.01 -1.26 -1.18 120.40 128.80 3g6e s VAL 49 Ca 0.01 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.08 3g6e s VAL 49 Cb -0.16 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 3g6e s VAL 49 CO -0.07 0.39 -0.28 -0.62 0.00 0.00 0.00 175.10 174.52 3g6e n GLU 50 N 2.98 0.61 -3.79 2.72 -0.58 0.34 -4.92 120.64 117.99 3g6e n GLU 50 Ca -0.07 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 3g6e n GLU 50 Cb 0.51 -1.52 -0.11 0.00 -0.57 0.00 0.00 31.44 29.76 3g6e n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3g6e s GLN 51 N -2.51 0.39 -0.09 3.49 0.74 -1.20 -5.03 119.66 115.45 3g6e s GLN 51 Ca -0.37 0.17 0.03 0.00 0.05 0.00 0.00 55.36 55.24 3g6e s GLN 51 Cb 0.13 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.42 3g6e s GLN 51 CO 0.53 -0.07 -0.18 0.08 -0.55 0.00 0.00 175.29 175.11 3g6e s VAL 52 N -0.30 1.61 -0.16 1.34 1.01 -1.26 -0.61 120.40 122.02 3g6e s VAL 52 Ca -0.04 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3g6e s VAL 52 Cb -0.03 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3g6e s VAL 52 CO 0.01 0.46 -0.17 0.20 0.00 0.00 0.00 175.10 175.60 3g6e s ASN 53 N 0.67 3.45 0.28 3.32 0.01 -0.08 -4.96 114.94 117.63 3g6e s ASN 53 Ca -0.13 -0.54 0.09 0.00 -0.71 0.00 0.00 52.86 51.57 3g6e s ASN 53 Cb -0.16 -1.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.93 3g6e s ASN 53 CO 0.03 0.06 0.08 0.42 -1.51 0.00 0.00 177.10 176.18 3g6e s THR 54 N 0.97 3.54 -0.21 1.60 -4.23 -1.26 0.15 115.64 116.21 3g6e s THR 54 Ca -0.03 -1.74 -0.16 0.00 -1.18 0.00 0.00 61.69 58.58 3g6e s THR 54 Cb -0.15 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.75 3g6e s THR 54 CO -0.04 -0.32 0.53 -1.58 -0.54 0.00 0.00 174.62 172.68 3g6e s GLN 55 N -3.76 0.58 -0.65 3.99 0.74 -0.05 -5.00 119.66 115.50 3g6e s GLN 55 Ca 0.34 0.84 -0.19 0.00 0.05 0.00 0.00 55.36 56.39 3g6e s GLN 55 Cb -0.06 0.19 0.11 0.00 1.10 0.00 0.00 33.01 34.35 3g6e s GLN 55 CO 0.22 -0.11 0.79 -0.80 -0.55 0.00 0.00 175.29 174.84 3g6e s ASN 56 N 0.81 6.27 0.78 6.67 0.01 -1.26 0.02 114.94 128.23 3g6e s ASN 56 Ca -0.04 -1.53 -0.12 0.00 -0.71 0.00 0.00 52.86 50.46 3g6e s ASN 56 Cb -0.05 -2.32 0.07 0.00 0.41 0.00 0.00 41.25 39.35 3g6e s ASN 56 CO -0.06 -1.12 1.14 -0.89 -1.51 0.00 0.00 177.10 174.66 3g6e s THR 57 N 2.70 2.68 -0.53 1.60 2.01 -0.50 -4.92 115.64 118.68 3g6e s THR 57 Ca 0.16 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3g6e s THR 57 Cb -0.20 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.65 3g6e s THR 57 CO 0.04 -0.24 0.61 0.23 -0.69 0.00 0.00 174.62 174.57 3g6e n MET 58 N -3.29 0.83 -0.00 4.92 2.81 -1.26 -2.40 117.12 118.73 3g6e n MET 58 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3g6e n MET 58 Cb 0.52 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 3g6e n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3g6e n ASP 59 N 0.32 1.29 0.00 7.83 10.43 -1.26 -4.99 116.55 130.16 3g6e n ASP 59 Ca 0.00 -1.27 0.00 0.00 2.57 0.00 0.00 54.79 56.09 3g6e n ASP 59 Cb 0.31 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.26 3g6e n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3g6e n GLY 60 N -0.11 2.22 4.01 0.44 0.00 -1.01 -5.03 105.19 105.72 3g6e n GLY 60 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 61 N -0.40 2.81 -0.17 1.61 2.02 -1.26 -4.88 118.70 118.43 3g6e s GLU 61 Ca 0.00 -1.19 -0.04 0.00 0.02 0.00 0.00 54.97 53.76 3g6e s GLU 61 Cb 0.00 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 3g6e s GLU 61 CO 0.00 -0.30 -0.03 0.21 0.02 0.00 0.00 175.26 175.16 3g6e s LYS 62 N -4.38 3.66 -0.16 1.61 2.20 -1.15 -1.41 119.74 120.11 3g6e s LYS 62 Ca 0.55 -0.52 -0.08 0.00 -0.36 0.00 0.00 55.97 55.56 3g6e s LYS 62 Cb -0.10 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3g6e s LYS 62 CO 0.33 0.17 0.11 0.21 -0.36 0.00 0.00 175.35 175.81 3g6e s LYS 63 N 0.55 3.83 -0.10 4.03 2.20 0.10 0.23 119.74 130.59 3g6e s LYS 63 Ca -0.02 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 3g6e s LYS 63 Cb -0.14 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3g6e s LYS 63 CO 0.02 0.46 -0.22 0.00 -0.36 0.00 0.00 175.35 175.26 3g6e s ALA 64 N -0.13 2.02 -0.44 3.13 0.00 0.87 -0.87 121.76 126.34 3g6e s ALA 64 Ca 0.09 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3g6e s ALA 64 Cb -0.12 -0.80 0.08 0.00 0.00 0.00 0.00 23.12 22.28 3g6e s ALA 64 CO 0.01 0.21 0.32 0.08 0.00 0.00 0.00 175.76 176.37 3g6e s VAL 65 N 0.48 4.64 -0.33 0.00 1.01 0.12 -0.73 120.40 125.60 3g6e s VAL 65 Ca -0.16 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 3g6e s VAL 65 Cb -0.17 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3g6e s VAL 65 CO 0.06 -0.54 0.18 -0.69 0.00 0.00 0.00 175.10 174.11 3g6e s VAL 66 N 1.51 4.74 -0.17 2.92 1.01 0.08 -0.90 120.40 129.60 3g6e s VAL 66 Ca 0.03 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 3g6e s VAL 66 Cb -0.24 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3g6e s VAL 66 CO 0.04 -0.00 0.49 -0.60 0.00 0.00 0.00 175.10 175.02 3g6e s ARG 67 N 1.63 4.25 0.52 2.72 3.52 0.22 -0.45 118.95 131.35 3g6e s ARG 67 Ca 0.04 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 3g6e s ARG 67 Cb -0.17 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3g6e s ARG 67 CO 0.07 -0.01 0.74 -0.51 -0.81 0.00 0.00 175.30 174.78 3g6e s LEU 68 N 1.18 3.40 0.70 -0.88 1.43 -0.93 -0.51 118.68 123.07 3g6e s LEU 68 Ca 0.24 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 3g6e s LEU 68 Cb -0.15 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.12 3g6e s LEU 68 CO 0.10 -0.99 1.07 -0.94 0.23 0.00 0.00 176.35 175.82 3g6e s SER 69 N -4.35 5.38 0.28 2.29 1.04 -0.33 -4.67 113.70 113.34 3g6e s SER 69 Ca 0.54 1.03 0.22 0.00 0.48 0.00 0.00 55.95 58.22 3g6e s SER 69 Cb -0.10 -1.83 1.05 0.00 0.10 0.00 0.00 66.02 65.24 3g6e s SER 69 CO 0.38 -1.35 1.67 -0.62 0.98 0.00 0.00 173.24 174.31 3g6e n GLU 70 N -2.97 0.16 0.13 4.02 1.02 -1.26 -1.85 120.64 119.89 3g6e n GLU 70 Ca 0.07 0.53 -0.00 0.00 -0.02 0.00 0.00 57.16 57.73 3g6e n GLU 70 Cb 0.58 -1.90 0.07 0.00 -0.02 0.00 0.00 31.44 30.17 3g6e n GLU 70 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3g6e h ASP 71 N 0.00 0.00 -3.03 1.62 3.32 -1.97 -3.44 116.42 112.92 3g6e h ASP 71 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3g6e h ASP 71 Cb 0.18 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.65 3g6e h ASP 71 CO 0.00 0.64 -0.56 -1.81 -1.72 0.00 0.00 179.24 175.80 3g6e s ASP 72 N -6.59 5.84 -0.21 6.45 1.01 -0.77 -5.11 116.67 117.29 3g6e s ASP 72 Ca 0.01 0.20 -0.02 0.00 0.71 0.00 0.00 52.55 53.45 3g6e s ASP 72 Cb 0.10 -1.72 0.01 0.00 1.01 0.00 0.00 42.92 42.32 3g6e s ASP 72 CO 0.76 0.27 -0.10 -0.62 0.21 0.00 0.00 175.17 175.70 3g6e s ASP 73 N -1.76 3.93 0.39 0.27 3.68 -1.26 -4.69 116.67 117.22 3g6e s ASP 73 Ca 0.24 -0.55 0.05 0.00 2.13 0.00 0.00 52.55 54.42 3g6e s ASP 73 Cb -0.12 -1.65 0.77 0.00 -1.45 0.00 0.00 42.92 40.47 3g6e s ASP 73 CO 0.15 -0.03 2.03 0.00 0.13 0.00 0.00 175.17 177.44 3g6e h ALA 74 N 8.04 1.62 -0.49 3.66 0.00 -1.85 -2.64 119.26 127.61 3g6e h ALA 74 Ca -0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3g6e h ALA 74 Cb 1.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3g6e h ALA 74 CO 0.61 0.33 0.02 1.96 0.00 0.00 0.00 179.25 182.17 3g6e h GLN 75 N 0.64 0.80 0.00 0.00 4.20 -1.96 -2.31 115.11 116.48 3g6e h GLN 75 Ca 0.17 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 3g6e h GLN 75 Cb -0.03 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3g6e h GLN 75 CO -0.03 0.80 -0.61 0.93 -0.67 0.00 0.00 178.83 179.25 3g6e h GLU 76 N 0.75 0.00 0.07 1.46 5.08 -1.90 -2.61 114.58 117.44 3g6e h GLU 76 Ca 0.15 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.26 3g6e h GLU 76 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3g6e h GLU 76 CO 0.02 0.61 -1.11 0.28 -1.00 0.00 0.00 179.01 177.81 3g6e h VAL 77 N 0.00 1.50 0.00 3.13 2.07 -1.31 -3.29 116.25 118.35 3g6e h VAL 77 Ca -0.01 -2.91 -0.05 0.00 0.82 0.00 0.00 66.70 64.55 3g6e h VAL 77 Cb 1.14 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 3g6e h VAL 77 CO 0.08 0.85 -0.25 0.00 0.02 0.00 0.00 177.57 178.27 3g6e h ALA 78 N 0.71 0.84 0.00 1.67 0.00 -1.41 -3.32 119.26 117.76 3g6e h ALA 78 Ca -0.10 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3g6e h ALA 78 Cb 1.81 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 3g6e h ALA 78 CO 0.18 0.32 -0.84 0.66 0.00 0.00 0.00 179.25 179.56 3g6e h SER 79 N 0.00 0.07 1.90 0.00 4.64 -1.53 -3.27 113.55 115.35 3g6e h SER 79 Ca -0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3g6e h SER 79 Cb 1.17 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3g6e h SER 79 CO 0.03 0.87 -0.02 0.08 -0.87 0.00 0.00 176.83 176.93 3g6e h ARG 80 N 0.03 0.00 -0.02 4.77 0.11 -1.65 -3.52 114.38 114.09 3g6e h ARG 80 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3g6e h ARG 80 Cb 1.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.55 3g6e h ARG 80 CO 0.11 0.02 0.00 0.44 0.10 0.00 0.00 179.97 180.64