#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h h PRO 2 N 0.00 0.21 -6.35 1.61 0.13 -2.08 -3.43 132.00 122.09 2c7h h PRO 2 Ca 0.00 -0.05 -0.45 0.00 -0.87 0.00 0.00 66.00 64.63 2c7h h PRO 2 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2c7h h PRO 2 CO 0.00 0.35 -0.32 -0.51 -0.23 0.00 0.00 178.00 177.29 2c7h s LEU 3 N -8.77 4.06 0.00 1.56 1.43 -1.26 -5.00 118.68 110.70 2c7h s LEU 3 Ca -0.05 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2c7h s LEU 3 Cb 0.15 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.45 2c7h s LEU 3 CO 0.73 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.60 2c7h n GLY 4 N -1.63 1.17 3.46 -3.19 0.00 -1.26 -4.87 105.19 98.87 2c7h n GLY 4 Ca -0.04 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 2c7h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c7h s SER 5 N -0.56 6.22 0.08 1.61 0.01 -1.26 -4.98 113.70 114.83 2c7h s SER 5 Ca 0.00 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 56.39 2c7h s SER 5 Cb 0.00 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2c7h s SER 5 CO 0.00 -1.27 0.09 0.23 0.41 0.00 0.00 173.24 172.70 2c7h n MET 6 N 7.25 0.93 -3.99 12.44 2.81 -1.26 -5.09 117.12 130.21 2c7h n MET 6 Ca -0.04 -0.34 -0.34 0.00 -1.81 0.00 0.00 57.70 55.18 2c7h n MET 6 Cb 0.46 -0.03 -0.15 0.00 -0.71 0.00 0.00 33.22 32.79 2c7h n MET 6 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c7h s SER 7 N -1.39 4.41 -0.01 7.83 0.01 -1.25 -5.07 113.70 118.22 2c7h s SER 7 Ca 0.07 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2c7h s SER 7 Cb -0.01 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.61 2c7h s SER 7 CO 0.04 -0.17 0.01 0.00 0.41 0.00 0.00 173.24 173.53 2c7h s VAL 9 N 0.47 4.28 -0.35 0.00 1.01 -0.89 -4.47 120.40 120.47 2c7h s VAL 9 Ca -0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2c7h s VAL 9 Cb -0.06 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2c7h s VAL 9 CO -0.01 0.51 0.75 -1.00 0.00 0.00 0.00 175.10 175.34 2c7h s HIS 10 N 0.10 3.14 -0.06 5.22 3.76 -1.25 -2.22 115.29 123.98 2c7h s HIS 10 Ca 0.02 0.57 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 2c7h s HIS 10 Cb -0.13 -3.29 0.01 0.00 1.11 0.00 0.00 32.58 30.29 2c7h s HIS 10 CO 0.02 -0.66 -0.11 1.52 -0.85 0.00 0.00 174.74 174.66 2c7h s TYR 11 N 2.96 1.28 -0.08 1.40 1.13 0.22 -0.24 117.35 124.02 2c7h s TYR 11 Ca 0.30 -0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 55.52 2c7h s TYR 11 Cb -0.14 -0.95 -0.03 0.00 -1.10 0.00 0.00 41.96 39.74 2c7h s TYR 11 CO 0.15 -0.23 -0.05 -1.59 -2.51 0.00 0.00 175.55 171.32 2c7h s LYS 12 N 0.62 2.89 0.65 -3.49 -2.85 -0.68 0.50 119.74 117.38 2c7h s LYS 12 Ca -0.12 -0.50 -0.08 0.00 -1.00 0.00 0.00 55.97 54.26 2c7h s LYS 12 Cb -0.15 -2.67 0.02 0.00 -2.06 0.00 0.00 37.83 32.97 2c7h s LYS 12 CO 0.03 0.64 0.99 0.12 0.10 0.00 0.00 175.35 177.23 2c7h s PHE 13 N -0.74 3.20 -0.21 1.78 2.19 -1.26 0.27 117.98 123.21 2c7h s PHE 13 Ca 0.11 0.73 0.28 0.00 0.33 0.00 0.00 56.93 58.38 2c7h s PHE 13 Cb -0.11 -2.95 1.17 0.00 -1.31 0.00 0.00 43.02 39.82 2c7h s PHE 13 CO 0.02 -1.08 1.84 0.77 1.83 0.00 0.00 175.22 178.60 2c7h h SER 14 N -0.43 0.00 0.61 6.13 0.02 -1.18 -1.23 113.55 117.47 2c7h h SER 14 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2c7h h SER 14 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2c7h h SER 14 CO 0.62 0.00 -0.69 -1.54 -1.14 0.00 0.00 176.83 174.08 2c7h n SER 15 N -2.61 0.61 -4.76 3.07 3.41 -1.26 -4.90 113.62 107.18 2c7h n SER 15 Ca 0.01 -0.11 -0.32 0.00 -0.26 0.00 0.00 58.87 58.20 2c7h n SER 15 Cb 0.26 0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2c7h n SER 15 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2c7h s LYS 16 N -3.11 2.93 -0.16 4.33 1.02 -0.46 -4.99 119.74 119.29 2c7h s LYS 16 Ca 0.07 -0.61 0.15 0.00 0.02 0.00 0.00 55.97 55.60 2c7h s LYS 16 Cb 0.15 -2.76 -0.24 0.00 -0.52 0.00 0.00 37.83 34.46 2c7h s LYS 16 CO 0.74 0.60 0.24 1.28 -0.92 0.00 0.00 175.35 177.28 2c7h n LEU 17 N 0.85 0.48 -4.85 3.17 4.32 -1.26 -4.47 117.00 115.25 2c7h n LEU 17 Ca -0.11 0.12 -0.21 0.00 -0.02 0.00 0.00 56.01 55.79 2c7h n LEU 17 Cb 0.52 0.29 -0.04 0.00 -1.62 0.00 0.00 43.42 42.57 2c7h n LEU 17 CO 0.40 0.50 -0.11 0.20 -1.22 0.00 0.00 177.39 177.17 2c7h s ASN 18 N -5.76 5.39 0.17 -1.43 0.01 -1.26 -5.05 114.94 107.02 2c7h s ASN 18 Ca -0.10 -0.40 -0.20 0.00 -0.71 0.00 0.00 52.86 51.46 2c7h s ASN 18 Cb 0.07 -1.14 -0.08 0.00 0.41 0.00 0.00 41.25 40.51 2c7h s ASN 18 CO 0.81 -0.24 0.67 -0.31 -1.51 0.00 0.00 177.10 176.53 2c7h s TYR 19 N -2.24 3.72 0.53 2.20 1.51 -1.26 -4.49 117.35 117.32 2c7h s TYR 19 Ca 0.38 1.35 0.06 0.00 -1.01 0.00 0.00 57.07 57.86 2c7h s TYR 19 Cb -0.07 -2.58 0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2c7h s TYR 19 CO 0.26 0.43 0.44 0.34 -1.11 0.00 0.00 175.55 175.91 2c7h s ASP 20 N -1.47 4.72 -0.07 2.29 -1.08 0.18 -4.86 116.67 116.38 2c7h s ASP 20 Ca 0.38 -1.14 -0.03 0.00 -0.52 0.00 0.00 52.55 51.24 2c7h s ASP 20 Cb -0.18 0.27 0.04 0.00 -1.46 0.00 0.00 42.92 41.59 2c7h s ASP 20 CO 0.21 -1.07 0.15 0.42 0.52 0.00 0.00 175.17 175.41 2c7h s THR 21 N -2.72 -0.09 -0.17 1.71 -4.23 -1.26 -0.61 115.64 108.26 2c7h s THR 21 Ca 0.39 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.97 2c7h s THR 21 Cb -0.03 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 2c7h s THR 21 CO 0.24 0.09 0.32 0.68 -0.54 0.00 0.00 174.62 175.40 2c7h s VAL 22 N 1.40 5.28 -0.24 2.29 -7.23 -0.94 -4.91 120.40 116.05 2c7h s VAL 22 Ca -0.07 0.58 -0.15 0.00 -1.81 0.00 0.00 61.98 60.53 2c7h s VAL 22 Cb -0.12 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 2c7h s VAL 22 CO -0.06 0.35 0.39 0.42 -0.31 0.00 0.00 175.10 175.89 2c7h s THR 23 N 0.71 5.18 0.22 5.32 -4.23 -1.26 -2.08 115.64 119.50 2c7h s THR 23 Ca 0.17 0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2c7h s THR 23 Cb -0.13 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2c7h s THR 23 CO 0.05 0.20 0.16 0.72 -0.54 0.00 0.00 174.62 175.21 2c7h s PHE 24 N 1.74 1.21 -0.19 3.99 -0.71 -0.34 -5.02 117.98 118.65 2c7h s PHE 24 Ca 0.17 -1.39 -0.02 0.00 -1.04 0.00 0.00 56.93 54.65 2c7h s PHE 24 Cb -0.15 -0.55 -0.00 0.00 -1.21 0.00 0.00 43.02 41.10 2c7h s PHE 24 CO 0.09 -0.69 -0.09 0.34 -1.34 0.00 0.00 175.22 173.53 2c7h s ASP 25 N -3.18 3.99 0.00 1.98 2.15 -1.26 -3.85 116.67 116.50 2c7h s ASP 25 Ca 0.39 -0.43 0.00 0.00 0.43 0.00 0.00 52.55 52.94 2c7h s ASP 25 Cb 0.06 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 2c7h s ASP 25 CO 0.14 0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.78 2c7h n GLY 26 N 4.48 0.96 0.11 2.66 0.00 -1.26 -4.90 105.19 107.23 2c7h n GLY 26 Ca -0.19 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 2c7h n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2c7h n LEU 27 N 0.00 1.21 -3.85 0.99 0.00 -1.26 -4.74 117.00 109.35 2c7h n LEU 27 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 56.01 55.99 2c7h n LEU 27 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 43.42 43.23 2c7h n LEU 27 CO 0.00 0.62 -0.12 -1.38 0.00 0.00 0.00 177.39 176.51 2c7h s HIS 28 N -2.53 0.01 -0.10 1.96 -3.43 -1.26 -0.91 115.29 109.02 2c7h s HIS 28 Ca -0.16 -0.12 0.04 0.00 -0.80 0.00 0.00 55.06 54.02 2c7h s HIS 28 Cb 0.07 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.20 2c7h s HIS 28 CO 0.77 -0.35 -0.23 -1.50 -2.00 0.00 0.00 174.74 171.43 2c7h s ILE 29 N -1.76 2.03 0.43 -5.38 2.07 0.56 -4.90 121.20 114.26 2c7h s ILE 29 Ca -0.11 -1.00 -0.26 0.00 -1.41 0.00 0.00 60.65 57.87 2c7h s ILE 29 Cb -0.05 -1.76 -0.09 0.00 0.13 0.00 0.00 42.46 40.69 2c7h s ILE 29 CO 0.00 0.55 1.43 -0.44 -1.91 0.00 0.00 174.94 174.58 2c7h s SER 30 N 0.40 6.00 0.27 4.50 0.01 -1.26 0.36 113.70 123.97 2c7h s SER 30 Ca -0.18 2.93 -0.01 0.00 1.31 0.00 0.00 55.95 60.01 2c7h s SER 30 Cb -0.18 -2.66 0.49 0.00 0.21 0.00 0.00 66.02 63.89 2c7h s SER 30 CO 0.08 -1.09 1.84 0.25 0.41 0.00 0.00 173.24 174.72 2c7h h LEU 31 N 2.49 0.89 -0.55 2.44 5.85 0.82 0.59 115.31 127.84 2c7h h LEU 31 Ca -0.51 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2c7h h LEU 31 Cb 1.26 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 2c7h h LEU 31 CO 0.62 0.50 0.18 0.00 -0.34 0.00 0.00 178.44 179.39 2c7h h ASP 33 N 0.35 0.84 -0.57 0.00 3.58 -1.44 -2.34 116.42 116.84 2c7h h ASP 33 Ca 0.27 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2c7h h ASP 33 Cb 0.33 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2c7h h ASP 33 CO -0.29 1.42 0.36 0.25 -2.88 0.00 0.00 179.24 178.09 2c7h h LEU 34 N 0.33 0.67 -0.78 2.28 6.46 -0.48 -0.51 115.31 123.28 2c7h h LEU 34 Ca -0.09 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.55 2c7h h LEU 34 Cb 1.50 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 2c7h h LEU 34 CO 0.17 0.51 0.04 0.11 -0.62 0.00 0.00 178.44 178.65 2c7h h LYS 35 N 0.77 0.97 -0.72 1.25 1.57 -0.48 -1.13 116.57 118.79 2c7h h LYS 35 Ca 0.21 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2c7h h LYS 35 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2c7h h LYS 35 CO -0.04 0.93 0.37 0.87 -0.57 0.00 0.00 179.45 181.01 2c7h h LYS 36 N 0.90 1.00 0.03 3.15 6.56 -0.77 0.37 116.57 127.81 2c7h h LYS 36 Ca 0.17 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2c7h h LYS 36 Cb 0.47 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2c7h h LYS 36 CO 0.02 0.75 -0.01 1.96 -2.06 0.00 0.00 179.45 180.11 2c7h h GLN 37 N 1.01 -0.03 -0.31 3.15 1.08 -0.65 -2.20 115.11 117.15 2c7h h GLN 37 Ca 0.25 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.37 2c7h h GLN 37 Cb 0.05 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2c7h h GLN 37 CO -0.04 0.33 -0.13 0.82 -0.95 0.00 0.00 178.83 178.86 2c7h h ILE 38 N -0.40 1.29 -0.72 2.54 2.04 -0.94 0.05 117.51 121.37 2c7h h ILE 38 Ca -0.00 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 2c7h h ILE 38 Cb 0.37 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2c7h h ILE 38 CO 0.01 0.39 0.22 0.24 0.00 0.00 0.00 178.15 179.01 2c7h h MET 39 N 0.39 1.12 -0.32 2.37 2.86 -0.33 0.29 114.93 121.31 2c7h h MET 39 Ca 0.07 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 2c7h h MET 39 Cb 0.65 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2c7h h MET 39 CO 0.04 0.95 -0.27 0.78 1.06 0.00 0.00 176.91 179.48 2c7h h GLY 40 N 1.10 0.81 0.82 8.32 0.00 -1.31 0.36 103.07 113.18 2c7h h GLY 40 Ca 0.23 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 2c7h h GLY 40 CO -0.01 0.73 -0.02 -0.09 0.00 0.00 0.00 176.54 177.15 2c7h h ARG 41 N 0.51 0.38 -0.12 4.80 2.43 -0.54 -3.14 114.38 118.69 2c7h h ARG 41 Ca 0.06 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2c7h h ARG 41 Cb 0.84 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2c7h h ARG 41 CO 0.07 0.59 0.00 0.39 -1.51 0.00 0.00 179.97 179.51 2c7h n GLU 42 N -4.66 1.86 -2.95 0.20 -0.58 0.97 -4.94 120.64 110.53 2c7h n GLU 42 Ca -0.04 -1.27 -0.12 0.00 -0.42 0.00 0.00 57.16 55.30 2c7h n GLU 42 Cb 0.25 -1.45 0.06 0.00 -0.57 0.00 0.00 31.44 29.73 2c7h n GLU 42 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2c7h n LYS 43 N 0.51 -3.72 -2.88 3.49 4.76 -0.64 -5.02 118.16 114.66 2c7h n LYS 43 Ca 0.17 0.63 -0.28 0.00 -2.87 0.00 0.00 58.31 55.97 2c7h n LYS 43 Cb 0.40 -4.87 -0.01 0.00 -1.84 0.00 0.00 35.03 28.71 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c7h s LEU 44 N -5.04 3.78 -0.59 -0.35 1.02 0.12 -5.03 118.68 112.60 2c7h s LEU 44 Ca 0.12 0.87 -0.19 0.00 0.02 0.00 0.00 54.13 54.94 2c7h s LEU 44 Cb -0.02 -3.78 0.09 0.00 0.02 0.00 0.00 46.19 42.51 2c7h s LEU 44 CO 0.54 -0.45 0.72 -1.59 0.02 0.00 0.00 176.35 175.59 2c7h s LYS 45 N -4.34 3.06 0.36 1.70 -2.85 -1.26 -4.78 119.74 111.63 2c7h s LYS 45 Ca 0.47 -1.21 0.27 0.00 -1.00 0.00 0.00 55.97 54.49 2c7h s LYS 45 Cb -0.10 -4.24 0.87 0.00 -2.06 0.00 0.00 37.83 32.30 2c7h s LYS 45 CO 0.39 -1.53 1.77 0.00 0.10 0.00 0.00 175.35 176.08 2c7h h ALA 46 N 9.20 1.00 0.00 0.59 0.00 -1.93 -1.89 119.26 126.23 2c7h h ALA 46 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2c7h h ALA 46 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2c7h h ALA 46 CO 1.09 0.00 -0.76 0.00 0.00 0.00 0.00 179.25 179.58 2c7h n ALA 47 N -1.93 3.56 -0.09 0.00 0.00 -1.26 -4.28 120.51 116.50 2c7h n ALA 47 Ca 0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 2c7h n ALA 47 Cb 0.38 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 2c7h n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c7h n ASP 48 N -1.74 2.50 -4.14 0.00 2.03 -1.10 -5.04 116.55 109.06 2c7h n ASP 48 Ca 0.04 -0.10 -0.25 0.00 0.52 0.00 0.00 54.79 55.00 2c7h n ASP 48 Cb 0.38 -0.27 -0.08 0.00 -0.72 0.00 0.00 41.12 40.43 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c7h s ASP 50 N -3.59 2.57 -0.14 0.00 -1.08 0.13 -4.40 116.67 110.16 2c7h s ASP 50 Ca 0.25 -1.42 0.02 0.00 -0.52 0.00 0.00 52.55 50.88 2c7h s ASP 50 Cb 0.03 -0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.48 2c7h s ASP 50 CO 0.15 -0.64 -0.19 -0.22 0.52 0.00 0.00 175.17 174.78 2c7h s LEU 51 N -3.53 2.27 -0.19 -1.34 2.96 -1.26 -1.27 118.68 116.32 2c7h s LEU 51 Ca 0.34 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2c7h s LEU 51 Cb 0.08 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 2c7h s LEU 51 CO 0.15 0.09 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.60 2c7h s GLN 52 N 0.79 3.30 -0.15 1.98 0.74 0.14 -4.92 119.66 121.55 2c7h s GLN 52 Ca -0.07 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 2c7h s GLN 52 Cb -0.16 -2.85 -0.01 0.00 1.10 0.00 0.00 33.01 31.10 2c7h s GLN 52 CO -0.01 -0.12 -0.12 0.42 -0.55 0.00 0.00 175.29 174.91 2c7h s ILE 53 N 1.22 3.05 0.01 -2.34 1.09 -1.25 0.28 121.20 123.25 2c7h s ILE 53 Ca 0.02 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2c7h s ILE 53 Cb -0.14 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.93 2c7h s ILE 53 CO -0.04 0.51 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.35 2c7h s THR 54 N 0.60 3.60 0.02 2.92 2.01 0.29 -0.43 115.64 124.66 2c7h s THR 54 Ca -0.07 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 2c7h s THR 54 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 2c7h s THR 54 CO 0.03 0.37 0.94 0.21 -0.69 0.00 0.00 174.62 175.48 2c7h s ASN 55 N -1.47 7.36 0.04 3.53 3.84 0.93 0.22 114.94 129.40 2c7h s ASN 55 Ca 0.17 1.64 0.27 0.00 0.21 0.00 0.00 52.86 55.16 2c7h s ASN 55 Cb -0.11 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 39.00 2c7h s ASN 55 CO 0.08 -0.18 1.76 0.00 -2.79 0.00 0.00 177.10 175.97 2c7h n ALA 56 N 3.55 2.60 -0.10 1.71 0.00 -0.48 -1.89 120.51 125.91 2c7h n ALA 56 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 2c7h n ALA 56 Cb 0.51 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 2c7h n ALA 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2c7h n GLN 57 N -1.66 0.42 0.10 0.00 1.13 -1.25 -4.62 117.38 111.50 2c7h n GLN 57 Ca 0.06 0.17 0.12 0.00 -1.94 0.00 0.00 57.00 55.40 2c7h n GLN 57 Cb 0.36 -1.23 0.03 0.00 0.11 0.00 0.00 30.24 29.50 2c7h n GLN 57 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2c7h h THR 58 N -0.56 0.00 -0.19 5.09 1.35 -1.92 -3.47 112.91 113.22 2c7h h THR 58 Ca -0.48 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.38 2c7h h THR 58 Cb 1.48 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 69.30 2c7h h THR 58 CO -0.25 0.00 -0.07 0.29 -0.25 0.00 0.00 175.52 175.23 2c7h n LYS 59 N -2.60 -0.71 -2.75 4.72 4.76 -0.79 -4.98 118.16 115.80 2c7h n LYS 59 Ca 0.01 0.48 -0.42 0.00 -2.87 0.00 0.00 58.31 55.51 2c7h n LYS 59 Cb 0.53 -4.20 -0.04 0.00 -1.84 0.00 0.00 35.03 29.49 2c7h n LYS 59 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2c7h s GLU 60 N -1.68 4.58 -0.19 1.97 2.56 -1.25 -4.70 118.70 119.98 2c7h s GLU 60 Ca 0.00 1.37 -0.15 0.00 0.00 0.00 0.00 54.97 56.19 2c7h s GLU 60 Cb 0.00 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.65 2c7h s GLU 60 CO 0.00 0.04 0.36 -2.00 -0.56 0.00 0.00 175.26 173.09 2c7h s GLU 61 N 0.70 4.20 -0.60 4.30 2.12 -1.26 -0.05 118.70 128.11 2c7h s GLU 61 Ca 0.49 0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.76 2c7h s GLU 61 Cb -0.21 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.75 2c7h s GLU 61 CO 0.28 0.05 0.84 0.71 -0.54 0.00 0.00 175.26 176.59 2c7h s TYR 62 N 1.04 2.84 -0.06 5.30 2.02 0.43 -4.81 117.35 124.10 2c7h s TYR 62 Ca 0.18 -0.56 0.20 0.00 -0.37 0.00 0.00 57.07 56.52 2c7h s TYR 62 Cb -0.14 -4.05 -0.30 0.00 -0.40 0.00 0.00 41.96 37.06 2c7h s TYR 62 CO 0.07 -1.41 0.37 0.25 -1.57 0.00 0.00 175.55 173.26 2c7h n THR 63 N 5.82 0.29 -4.02 -0.71 -2.24 -1.26 -3.89 114.28 108.28 2c7h n THR 63 Ca -0.05 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 2c7h n THR 63 Cb 0.45 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 2c7h n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c7h s ASP 64 N -4.61 5.90 0.00 3.42 -1.08 -1.26 -4.99 116.67 114.05 2c7h s ASP 64 Ca -0.08 0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.36 2c7h s ASP 64 Cb 0.12 -1.72 1.13 0.00 -1.46 0.00 0.00 42.92 40.98 2c7h s ASP 64 CO 0.85 0.23 1.79 0.47 0.52 0.00 0.00 175.17 179.02 2c7h n ASP 65 N 0.78 0.00 0.02 -0.34 9.92 -1.26 -1.78 116.55 123.89 2c7h n ASP 65 Ca -0.10 0.21 0.13 0.00 -0.53 0.00 0.00 54.79 54.51 2c7h n ASP 65 Cb 0.52 -0.39 0.48 0.00 -0.64 0.00 0.00 41.12 41.09 2c7h n ASP 65 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2c7h n ASN 66 N -1.39 0.26 -4.77 -2.24 0.23 -1.26 -1.60 115.26 104.49 2c7h n ASN 66 Ca 0.09 0.32 -0.40 0.00 -0.53 0.00 0.00 54.58 54.05 2c7h n ASN 66 Cb 0.24 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2c7h s ALA 67 N -3.02 3.39 -0.04 -2.53 0.00 -0.73 -4.72 121.76 114.10 2c7h s ALA 67 Ca 0.12 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.58 2c7h s ALA 67 Cb 0.17 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2c7h s ALA 67 CO 0.59 -1.02 -0.21 -0.48 0.00 0.00 0.00 175.76 174.64 2c7h s LEU 68 N -2.34 2.34 -0.24 0.00 0.05 -1.26 0.11 118.68 117.33 2c7h s LEU 68 Ca 0.56 -0.37 -0.02 0.00 0.05 0.00 0.00 54.13 54.35 2c7h s LEU 68 Cb -0.43 -1.44 0.02 0.00 -2.05 0.00 0.00 46.19 42.29 2c7h s LEU 68 CO 0.57 0.30 -0.07 -0.63 -0.55 0.00 0.00 176.35 175.98 2c7h s ILE 69 N -0.50 2.86 0.49 1.48 1.09 0.16 -4.91 121.20 121.86 2c7h s ILE 69 Ca 0.06 -0.99 -0.17 0.00 -1.10 0.00 0.00 60.65 58.45 2c7h s ILE 69 Cb -0.11 -2.43 -0.09 0.00 -1.06 0.00 0.00 42.46 38.77 2c7h s ILE 69 CO 0.01 0.23 0.97 -2.16 -0.10 0.00 0.00 174.94 173.88 2c7h s PRO 70 N 1.33 4.01 0.66 2.79 0.04 -1.26 -0.32 135.00 142.25 2c7h s PRO 70 Ca 0.01 0.97 0.44 0.00 0.04 0.00 0.00 61.00 62.46 2c7h s PRO 70 Cb -0.16 -2.16 2.38 0.00 0.04 0.00 0.00 34.50 34.60 2c7h s PRO 70 CO -0.05 -0.21 2.36 1.57 0.04 0.00 0.00 177.00 180.72 2c7h h LYS 71 N 1.16 0.00 0.00 4.56 2.10 -1.25 -0.90 116.57 122.25 2c7h h LYS 71 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2c7h h LYS 71 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2c7h h LYS 71 CO 0.61 0.00 0.00 -0.97 -2.00 0.00 0.00 179.45 177.10 2c7h h ASN 72 N 0.00 0.00 -3.08 7.07 -0.73 -1.81 -3.41 115.58 113.62 2c7h h ASN 72 Ca -0.00 0.00 -0.67 0.00 1.87 0.00 0.00 56.30 57.50 2c7h h ASN 72 Cb 0.02 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.49 2c7h h ASN 72 CO 0.00 0.00 -0.57 -0.44 -0.37 0.00 0.00 177.43 176.05 2c7h s SER 73 N -5.83 5.66 -0.18 1.15 0.01 -0.34 -5.05 113.70 109.11 2c7h s SER 73 Ca 0.04 0.25 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 2c7h s SER 73 Cb 0.07 -1.71 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 2c7h s SER 73 CO 0.60 0.38 0.22 -0.44 0.41 0.00 0.00 173.24 174.41 2c7h s SER 74 N -0.86 6.32 0.29 2.44 0.01 -1.26 -3.81 113.70 116.84 2c7h s SER 74 Ca 0.13 0.37 0.08 0.00 1.31 0.00 0.00 55.95 57.83 2c7h s SER 74 Cb -0.12 -2.14 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 2c7h s SER 74 CO 0.03 0.12 -0.08 0.68 0.41 0.00 0.00 173.24 174.40 2c7h s VAL 75 N 0.52 1.85 -0.10 3.43 -7.23 0.66 -1.38 120.40 118.16 2c7h s VAL 75 Ca 0.13 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2c7h s VAL 75 Cb -0.12 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2c7h s VAL 75 CO 0.02 -0.29 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.66 2c7h s ILE 76 N -2.88 1.96 -0.23 -0.62 1.01 0.13 -1.69 121.20 118.89 2c7h s ILE 76 Ca 0.30 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2c7h s ILE 76 Cb 0.03 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2c7h s ILE 76 CO 0.13 0.54 0.12 -0.69 0.00 0.00 0.00 174.94 175.04 2c7h s VAL 77 N 0.36 4.98 0.05 2.92 1.01 0.14 -0.55 120.40 129.32 2c7h s VAL 77 Ca -0.18 0.05 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2c7h s VAL 77 Cb -0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2c7h s VAL 77 CO 0.08 0.36 -0.26 -0.60 0.00 0.00 0.00 175.10 174.68 2c7h s ARG 78 N 1.11 1.73 -0.23 2.72 3.52 0.14 -0.50 118.95 127.45 2c7h s ARG 78 Ca 0.06 -1.13 -0.10 0.00 -0.13 0.00 0.00 55.73 54.43 2c7h s ARG 78 Cb -0.14 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.27 2c7h s ARG 78 CO 0.04 0.50 0.14 0.50 -0.81 0.00 0.00 175.30 175.67 2c7h s ARG 79 N -1.33 4.05 0.14 5.12 3.52 -1.26 0.28 118.95 129.47 2c7h s ARG 79 Ca 0.12 -0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 2c7h s ARG 79 Cb -0.10 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2c7h s ARG 79 CO 0.02 0.10 -0.13 0.96 -0.81 0.00 0.00 175.30 175.44 2c7h s ILE 80 N 0.93 1.35 0.28 4.11 -5.25 -0.40 -4.91 121.20 117.32 2c7h s ILE 80 Ca 0.07 -1.84 -0.29 0.00 -0.99 0.00 0.00 60.65 57.60 2c7h s ILE 80 Cb -0.13 -1.65 -0.09 0.00 2.95 0.00 0.00 42.46 43.53 2c7h s ILE 80 CO 0.03 -0.50 1.05 -2.16 -1.79 0.00 0.00 174.94 171.57 2c7h s PRO 81 N -2.99 4.65 0.10 0.37 0.04 -1.26 0.20 135.00 136.11 2c7h s PRO 81 Ca 0.12 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 2c7h s PRO 81 Cb -0.03 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 2c7h s PRO 81 CO 0.03 0.26 1.56 -0.84 0.04 0.00 0.00 177.00 178.05 2c7h h ILE 82 N 3.02 1.24 -6.26 0.56 3.07 -1.83 -3.43 117.51 113.87 2c7h h ILE 82 Ca -0.46 -0.84 -0.46 0.00 1.55 0.00 0.00 64.86 64.65 2c7h h ILE 82 Cb 1.21 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 2c7h h ILE 82 CO 0.67 0.27 -0.79 0.61 -1.05 0.00 0.00 178.15 177.85 2c7h n GLY 83 N -0.43 -0.41 3.61 0.16 0.00 -1.26 -4.96 105.19 101.89 2c7h n GLY 83 Ca -0.03 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2c7h n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c7h s GLY 84 N -3.73 -0.53 -0.48 -0.02 0.00 -1.26 -5.11 107.32 96.19 2c7h s GLY 84 Ca 0.41 1.99 -0.16 0.00 0.00 0.00 0.00 44.72 46.96 2c7h s GLY 84 CO 0.83 1.74 0.42 -1.34 0.00 0.00 0.00 173.10 174.75 2c7h s VAL 85 N 0.45 5.21 0.00 1.40 -7.23 -1.26 -5.14 120.40 113.83 2c7h s VAL 85 Ca -0.01 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 2c7h s VAL 85 Cb -0.05 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.73 2c7h s VAL 85 CO -0.00 -0.63 0.26 2.29 -0.31 0.00 0.00 175.10 176.71