#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h s PRO 2 N 0.00 3.19 0.00 1.61 0.04 -1.26 -4.81 135.00 133.78 2c7h s PRO 2 Ca 0.00 -0.55 0.20 0.00 0.04 0.00 0.00 61.00 60.69 2c7h s PRO 2 Cb 0.00 -4.28 0.53 0.00 0.04 0.00 0.00 34.50 30.79 2c7h s PRO 2 CO 0.00 -2.02 1.45 1.47 0.04 0.00 0.00 177.00 177.94 2c7h n LEU 3 N 8.65 3.10 0.00 -3.56 -0.00 -1.26 -4.94 117.00 119.00 2c7h n LEU 3 Ca 0.03 -1.46 0.00 0.00 -0.00 0.00 0.00 56.01 54.58 2c7h n LEU 3 Cb 0.48 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2c7h n LEU 3 CO 0.68 0.73 0.00 0.61 -0.00 0.00 0.00 177.39 179.41 2c7h n GLY 4 N 1.44 -1.47 2.87 1.47 0.00 -1.26 -5.05 105.19 103.18 2c7h n GLY 4 Ca 0.19 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.00 4.35 0.30 1.61 0.01 -1.26 -5.09 113.70 109.62 2c7h s SER 5 Ca 0.00 -2.01 -0.29 0.00 1.31 0.00 0.00 55.95 54.95 2c7h s SER 5 Cb 0.00 -1.26 -0.10 0.00 0.21 0.00 0.00 66.02 64.87 2c7h s SER 5 CO 0.00 -0.38 1.44 -0.04 0.41 0.00 0.00 173.24 174.67 2c7h s MET 6 N 1.11 4.23 0.15 12.44 1.00 -1.26 -4.96 119.30 132.01 2c7h s MET 6 Ca 0.11 2.38 -0.30 0.00 0.00 0.00 0.00 55.69 57.88 2c7h s MET 6 Cb -0.19 -3.06 -0.07 0.00 0.00 0.00 0.00 34.83 31.51 2c7h s MET 6 CO -0.14 -0.42 1.09 -1.12 0.00 0.00 0.00 175.02 174.42 2c7h s SER 7 N 0.07 7.28 -0.07 3.03 0.01 -1.25 -4.97 113.70 117.81 2c7h s SER 7 Ca 0.56 2.04 -0.14 0.00 1.31 0.00 0.00 55.95 59.72 2c7h s SER 7 Cb -0.43 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.23 2c7h s SER 7 CO 0.50 -0.22 0.33 0.00 0.41 0.00 0.00 173.24 174.26 2c7h s VAL 9 N -0.62 4.23 -0.57 0.00 1.01 -0.70 -4.42 120.40 119.33 2c7h s VAL 9 Ca -0.07 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 2c7h s VAL 9 Cb -0.04 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2c7h s VAL 9 CO 0.02 0.47 1.33 -1.00 0.00 0.00 0.00 175.10 175.92 2c7h s HIS 10 N 0.51 2.40 -0.01 5.22 3.76 -1.25 -1.88 115.29 124.05 2c7h s HIS 10 Ca -0.00 0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.42 2c7h s HIS 10 Cb -0.14 -4.44 -0.02 0.00 1.11 0.00 0.00 32.58 29.09 2c7h s HIS 10 CO 0.02 -1.84 -0.22 1.52 -0.85 0.00 0.00 174.74 173.37 2c7h s TYR 11 N 5.63 1.94 -0.05 1.40 1.13 0.05 -1.19 117.35 126.25 2c7h s TYR 11 Ca 0.49 -0.37 0.05 0.00 -1.41 0.00 0.00 57.07 55.83 2c7h s TYR 11 Cb -0.10 -1.23 -0.02 0.00 -1.10 0.00 0.00 41.96 39.51 2c7h s TYR 11 CO 0.25 -0.01 -0.20 -1.59 -2.51 0.00 0.00 175.55 171.49 2c7h s LYS 12 N -0.63 2.51 0.56 -3.49 -2.85 -0.56 0.53 119.74 115.81 2c7h s LYS 12 Ca 0.08 -0.80 -0.02 0.00 -1.00 0.00 0.00 55.97 54.22 2c7h s LYS 12 Cb -0.08 -2.27 0.02 0.00 -2.06 0.00 0.00 37.83 33.44 2c7h s LYS 12 CO -0.00 0.50 0.82 0.12 0.10 0.00 0.00 175.35 176.89 2c7h s PHE 13 N -0.45 3.10 0.48 1.78 2.19 -1.26 0.40 117.98 124.23 2c7h s PHE 13 Ca 0.05 0.33 0.14 0.00 0.33 0.00 0.00 56.93 57.79 2c7h s PHE 13 Cb -0.12 -2.68 1.15 0.00 -1.31 0.00 0.00 43.02 40.06 2c7h s PHE 13 CO 0.01 -0.78 2.09 1.03 1.83 0.00 0.00 175.22 179.40 2c7h h SER 14 N -0.01 0.17 0.54 6.13 0.87 -1.52 -0.46 113.55 119.26 2c7h h SER 14 Ca -0.45 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2c7h h SER 14 Cb 1.27 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2c7h h SER 14 CO 0.58 0.12 -0.16 -1.20 -0.53 0.00 0.00 176.83 175.63 2c7h n SER 15 N -4.50 0.36 -4.24 6.23 7.64 -1.26 -4.77 113.62 113.09 2c7h n SER 15 Ca 0.02 -0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.31 2c7h n SER 15 Cb 0.18 -0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.11 2c7h n SER 15 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2c7h s LYS 16 N -2.71 3.18 0.38 1.43 1.02 -0.18 -4.97 119.74 117.89 2c7h s LYS 16 Ca 0.22 -0.76 0.22 0.00 0.02 0.00 0.00 55.97 55.67 2c7h s LYS 16 Cb 0.19 -2.62 0.25 0.00 -0.52 0.00 0.00 37.83 35.12 2c7h s LYS 16 CO 0.53 -0.03 1.48 -0.07 -0.92 0.00 0.00 175.35 176.35 2c7h h LEU 17 N 7.44 0.00 -9.69 3.17 3.38 -1.86 -3.34 115.31 114.40 2c7h h LEU 17 Ca -0.35 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.06 2c7h h LEU 17 Cb 1.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2c7h h LEU 17 CO 0.58 0.06 -0.58 0.20 0.09 0.00 0.00 178.44 178.78 2c7h s ASN 18 N -6.08 4.41 0.32 -0.43 0.01 -1.26 -5.07 114.94 106.84 2c7h s ASN 18 Ca 0.05 -0.88 -0.18 0.00 -0.71 0.00 0.00 52.86 51.14 2c7h s ASN 18 Cb 0.06 -0.63 -0.09 0.00 0.41 0.00 0.00 41.25 41.00 2c7h s ASN 18 CO 0.70 -0.25 0.80 -0.31 -1.51 0.00 0.00 177.10 176.53 2c7h s TYR 19 N -2.47 3.45 0.51 2.20 1.51 -1.26 -4.54 117.35 116.75 2c7h s TYR 19 Ca 0.36 1.40 0.01 0.00 -1.01 0.00 0.00 57.07 57.83 2c7h s TYR 19 Cb -0.01 -2.66 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 2c7h s TYR 19 CO 0.21 0.11 0.00 0.34 -1.11 0.00 0.00 175.55 175.10 2c7h s ASP 20 N -2.05 4.12 -0.05 2.29 -1.08 0.19 -4.89 116.67 115.20 2c7h s ASP 20 Ca 0.53 -1.64 0.01 0.00 -0.52 0.00 0.00 52.55 50.92 2c7h s ASP 20 Cb -0.12 0.48 0.02 0.00 -1.46 0.00 0.00 42.92 41.85 2c7h s ASP 20 CO 0.18 -0.84 -0.03 0.42 0.52 0.00 0.00 175.17 175.42 2c7h s THR 21 N -2.87 0.48 -0.23 1.71 -4.23 -1.25 -0.77 115.64 108.48 2c7h s THR 21 Ca 0.07 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.44 2c7h s THR 21 Cb 0.02 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 2c7h s THR 21 CO 0.04 0.22 0.04 0.54 -0.54 0.00 0.00 174.62 174.92 2c7h s VAL 22 N 1.05 4.20 -0.01 2.29 0.11 -0.79 -4.88 120.40 122.38 2c7h s VAL 22 Ca -0.09 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.54 2c7h s VAL 22 Cb -0.14 -2.94 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 2c7h s VAL 22 CO -0.01 0.38 0.57 0.42 -3.33 0.00 0.00 175.10 173.13 2c7h s THR 23 N 1.32 4.92 0.17 5.04 -4.23 -1.26 -1.73 115.64 119.87 2c7h s THR 23 Ca 0.05 1.19 -0.08 0.00 -1.18 0.00 0.00 61.69 61.67 2c7h s THR 23 Cb -0.15 -3.91 -0.01 0.00 1.34 0.00 0.00 72.50 69.78 2c7h s THR 23 CO 0.03 0.43 0.26 0.72 -0.54 0.00 0.00 174.62 175.52 2c7h s PHE 24 N -0.26 0.47 -0.41 3.99 -0.71 -0.50 -5.00 117.98 115.56 2c7h s PHE 24 Ca 0.30 -0.83 -0.18 0.00 -1.04 0.00 0.00 56.93 55.18 2c7h s PHE 24 Cb -0.18 -0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.54 2c7h s PHE 24 CO 0.17 -0.71 0.48 -0.51 -1.34 0.00 0.00 175.22 173.30 2c7h s ASP 25 N -2.98 6.23 0.00 1.98 1.11 -1.26 -3.89 116.67 117.85 2c7h s ASP 25 Ca 0.19 -0.50 0.00 0.00 0.18 0.00 0.00 52.55 52.42 2c7h s ASP 25 Cb 0.04 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2c7h s ASP 25 CO 0.01 -0.58 0.00 0.61 1.18 0.00 0.00 175.17 176.39 2c7h n GLY 26 N 5.05 0.80 0.08 0.21 0.00 -1.26 -4.84 105.19 105.22 2c7h n GLY 26 Ca -0.06 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.84 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 0.42 -3.92 0.99 0.00 -1.26 -4.66 117.00 108.56 2c7h n LEU 27 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 56.01 56.10 2c7h n LEU 27 Cb 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 43.42 43.55 2c7h n LEU 27 CO 0.00 0.28 -0.23 -1.38 0.00 0.00 0.00 177.39 176.06 2c7h s HIS 28 N -2.83 0.15 -0.04 1.96 -3.43 -1.26 -1.07 115.29 108.77 2c7h s HIS 28 Ca -0.06 -0.36 0.04 0.00 -0.80 0.00 0.00 55.06 53.88 2c7h s HIS 28 Cb 0.08 -0.12 -0.00 0.00 -1.43 0.00 0.00 32.58 31.12 2c7h s HIS 28 CO 0.84 -0.29 -0.17 -1.50 -2.00 0.00 0.00 174.74 171.61 2c7h s ILE 29 N -1.85 1.44 0.41 -5.38 2.07 -0.25 -4.91 121.20 112.72 2c7h s ILE 29 Ca -0.11 -0.72 -0.26 0.00 -1.41 0.00 0.00 60.65 58.14 2c7h s ILE 29 Cb -0.06 -1.24 -0.09 0.00 0.13 0.00 0.00 42.46 41.20 2c7h s ILE 29 CO -0.01 0.41 1.41 -0.44 -1.91 0.00 0.00 174.94 174.40 2c7h s SER 30 N 0.06 6.17 0.22 4.50 0.01 -1.26 0.45 113.70 123.85 2c7h s SER 30 Ca -0.04 2.88 -0.08 0.00 1.31 0.00 0.00 55.95 60.02 2c7h s SER 30 Cb -0.12 -2.65 0.26 0.00 0.21 0.00 0.00 66.02 63.72 2c7h s SER 30 CO 0.02 -0.97 1.83 0.25 0.41 0.00 0.00 173.24 174.78 2c7h h LEU 31 N 2.68 0.66 -0.57 2.44 5.85 0.79 0.21 115.31 127.37 2c7h h LEU 31 Ca -0.50 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.30 2c7h h LEU 31 Cb 1.25 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2c7h h LEU 31 CO 0.63 0.43 0.28 0.00 -0.34 0.00 0.00 178.44 179.43 2c7h h ASP 33 N 0.53 0.86 -0.29 0.00 3.32 -1.47 -0.46 116.42 118.90 2c7h h ASP 33 Ca 0.26 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2c7h h ASP 33 Cb 0.19 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2c7h h ASP 33 CO -0.19 0.91 0.13 0.25 -1.72 0.00 0.00 179.24 178.62 2c7h h LEU 34 N 0.78 0.39 -0.60 1.55 6.46 0.08 0.36 115.31 124.32 2c7h h LEU 34 Ca 0.16 -0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 2c7h h LEU 34 Cb 0.42 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2c7h h LEU 34 CO 0.01 0.42 0.02 0.11 -0.62 0.00 0.00 178.44 178.38 2c7h h LYS 35 N 0.34 1.05 -0.84 1.25 1.57 -0.35 -0.62 116.57 118.96 2c7h h LYS 35 Ca 0.10 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2c7h h LYS 35 Cb 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2c7h h LYS 35 CO -0.01 1.02 0.44 0.87 -0.57 0.00 0.00 179.45 181.19 2c7h h LYS 36 N 0.95 1.19 0.05 3.15 6.56 -0.78 0.16 116.57 127.86 2c7h h LYS 36 Ca 0.17 -0.15 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2c7h h LYS 36 Cb 0.53 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2c7h h LYS 36 CO 0.03 0.89 -0.03 1.96 -2.06 0.00 0.00 179.45 180.24 2c7h h GLN 37 N 1.19 -0.07 -0.14 3.15 4.20 -0.43 -1.90 115.11 121.11 2c7h h GLN 37 Ca 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2c7h h GLN 37 Cb 0.07 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2c7h h GLN 37 CO -0.04 0.20 0.06 0.82 -0.67 0.00 0.00 178.83 179.20 2c7h h ILE 38 N -0.34 1.14 -0.52 2.54 2.04 -0.92 0.11 117.51 121.56 2c7h h ILE 38 Ca -0.01 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 2c7h h ILE 38 Cb 0.30 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2c7h h ILE 38 CO 0.01 0.13 0.05 0.24 0.00 0.00 0.00 178.15 178.58 2c7h h MET 39 N 0.09 0.84 -0.21 2.37 2.86 -0.74 -0.93 114.93 119.20 2c7h h MET 39 Ca 0.05 -0.21 -0.16 0.00 -2.06 0.00 0.00 59.70 57.32 2c7h h MET 39 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2c7h h MET 39 CO -0.01 0.80 -0.54 0.78 1.06 0.00 0.00 176.91 179.01 2c7h h GLY 40 N 0.98 0.68 0.94 8.32 0.00 -1.14 0.44 103.07 113.28 2c7h h GLY 40 Ca 0.16 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2c7h h GLY 40 CO 0.01 0.70 0.14 -0.09 0.00 0.00 0.00 176.54 177.30 2c7h h ARG 41 N 0.48 0.58 -0.22 4.80 2.43 -0.15 -3.01 114.38 119.30 2c7h h ARG 41 Ca 0.01 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2c7h h ARG 41 Cb 1.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2c7h h ARG 41 CO 0.10 0.57 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 2c7h n GLU 42 N -4.64 2.10 -3.03 0.20 1.02 -0.41 -4.99 120.64 110.89 2c7h n GLU 42 Ca -0.00 -1.95 -0.05 0.00 -0.02 0.00 0.00 57.16 55.13 2c7h n GLU 42 Cb 0.16 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2c7h n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2c7h n LYS 43 N 1.19 -1.57 -3.74 3.49 4.01 -0.14 -5.02 118.16 116.38 2c7h n LYS 43 Ca 0.15 1.20 -0.36 0.00 -0.51 0.00 0.00 58.31 58.78 2c7h n LYS 43 Cb 0.52 -5.52 -0.07 0.00 -0.51 0.00 0.00 35.03 29.45 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c7h s LEU 44 N -4.40 4.32 -0.49 -0.35 1.02 0.14 -5.02 118.68 113.89 2c7h s LEU 44 Ca 0.17 0.45 -0.29 0.00 0.02 0.00 0.00 54.13 54.48 2c7h s LEU 44 Cb -0.02 -2.18 0.02 0.00 0.02 0.00 0.00 46.19 44.03 2c7h s LEU 44 CO 0.70 0.27 1.28 -0.75 0.02 0.00 0.00 176.35 177.88 2c7h s LYS 45 N -0.33 3.55 0.00 1.70 2.20 -1.26 -4.73 119.74 120.88 2c7h s LYS 45 Ca 0.14 0.59 0.26 0.00 -0.36 0.00 0.00 55.97 56.60 2c7h s LYS 45 Cb -0.12 -4.01 1.55 0.00 -1.51 0.00 0.00 37.83 33.75 2c7h s LYS 45 CO 0.03 -1.61 1.99 0.00 -0.36 0.00 0.00 175.35 175.40 2c7h n ALA 46 N 8.60 2.63 0.94 3.13 0.00 -1.26 -2.27 120.51 132.28 2c7h n ALA 46 Ca 0.13 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2c7h n ALA 46 Cb 0.49 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.59 2c7h n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7h n ALA 47 N -0.92 2.65 -0.03 0.00 0.00 -1.26 -4.26 120.51 116.70 2c7h n ALA 47 Ca 0.20 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 2c7h n ALA 47 Cb 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 1.03 3.70 -4.12 0.00 -0.08 -1.03 -5.04 116.55 111.00 2c7h n ASP 48 Ca 0.12 -0.02 -0.11 0.00 -1.51 0.00 0.00 54.79 53.28 2c7h n ASP 48 Cb 0.54 0.17 -0.09 0.00 2.34 0.00 0.00 41.12 44.08 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c7h s ASP 50 N -3.09 4.22 -0.15 0.00 -1.08 0.19 -4.24 116.67 112.52 2c7h s ASP 50 Ca 0.31 -1.16 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 2c7h s ASP 50 Cb 0.05 -0.46 0.01 0.00 -1.46 0.00 0.00 42.92 41.06 2c7h s ASP 50 CO 0.08 -0.48 -0.21 -0.22 0.52 0.00 0.00 175.17 174.87 2c7h s LEU 51 N -3.82 2.09 -0.21 -1.34 2.96 -1.26 -0.80 118.68 116.30 2c7h s LEU 51 Ca 0.38 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2c7h s LEU 51 Cb 0.05 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.31 2c7h s LEU 51 CO 0.21 0.04 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.60 2c7h s GLN 52 N 1.02 3.14 -0.15 1.98 0.74 0.15 -4.92 119.66 121.62 2c7h s GLN 52 Ca -0.02 -0.76 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 2c7h s GLN 52 Cb -0.14 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 2c7h s GLN 52 CO -0.06 -0.24 0.02 0.42 -0.55 0.00 0.00 175.29 174.88 2c7h s ILE 53 N 1.38 4.44 0.09 -2.34 1.09 -1.24 -0.50 121.20 124.12 2c7h s ILE 53 Ca 0.05 -0.17 0.07 0.00 -1.10 0.00 0.00 60.65 59.50 2c7h s ILE 53 Cb -0.14 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 2c7h s ILE 53 CO -0.07 0.51 -0.13 -0.89 -0.10 0.00 0.00 174.94 174.26 2c7h s THR 54 N 0.03 3.19 0.31 2.92 2.01 0.10 -0.01 115.64 124.20 2c7h s THR 54 Ca 0.04 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 2c7h s THR 54 Cb -0.13 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 69.83 2c7h s THR 54 CO 0.02 0.17 1.06 0.21 -0.69 0.00 0.00 174.62 175.39 2c7h s ASN 55 N -2.00 7.17 0.19 3.53 3.84 0.13 0.93 114.94 128.73 2c7h s ASN 55 Ca 0.19 2.16 0.10 0.00 0.21 0.00 0.00 52.86 55.52 2c7h s ASN 55 Cb -0.11 -2.61 -0.07 0.00 -0.55 0.00 0.00 41.25 37.91 2c7h s ASN 55 CO 0.11 -0.21 1.36 0.00 -2.79 0.00 0.00 177.10 175.58 2c7h h ALA 56 N 3.46 0.50 0.00 1.71 0.00 -1.41 -2.26 119.26 121.27 2c7h h ALA 56 Ca -0.47 -0.73 -0.22 0.00 0.00 0.00 0.00 54.91 53.49 2c7h h ALA 56 Cb 1.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2c7h h ALA 56 CO 0.66 1.01 -1.42 1.04 0.00 0.00 0.00 179.25 180.54 2c7h n GLN 57 N -3.34 0.54 0.13 0.00 6.02 -1.26 -4.43 117.38 115.04 2c7h n GLN 57 Ca 0.01 0.44 0.07 0.00 -0.01 0.00 0.00 57.00 57.50 2c7h n GLN 57 Cb 0.85 -1.63 0.03 0.00 1.02 0.00 0.00 30.24 30.51 2c7h n GLN 57 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2c7h h THR 58 N -1.00 0.32 -1.16 5.09 1.35 -1.91 -3.47 112.91 112.12 2c7h h THR 58 Ca -0.33 -1.51 -0.31 0.00 -0.55 0.00 0.00 66.41 63.71 2c7h h THR 58 Cb 1.19 1.97 -0.09 0.00 -1.73 0.00 0.00 68.15 69.49 2c7h h THR 58 CO -0.20 0.18 -0.31 0.29 -0.25 0.00 0.00 175.52 175.23 2c7h n LYS 59 N -2.97 -1.10 -2.69 4.72 4.76 -0.85 -4.98 118.16 115.05 2c7h n LYS 59 Ca -0.00 0.94 -0.42 0.00 -2.87 0.00 0.00 58.31 55.96 2c7h n LYS 59 Cb 0.65 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.66 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 -3.74 4.61 -0.31 1.97 2.56 -1.26 -4.60 118.70 117.94 2c7h s GLU 60 Ca 0.00 1.47 -0.20 0.00 0.00 0.00 0.00 54.97 56.24 2c7h s GLU 60 Cb 0.00 -3.41 -0.01 0.00 2.00 0.00 0.00 34.13 32.71 2c7h s GLU 60 CO 0.00 0.05 0.60 -1.21 -0.56 0.00 0.00 175.26 174.14 2c7h s GLU 61 N 0.53 3.86 -0.85 4.30 2.02 -1.26 0.20 118.70 127.50 2c7h s GLU 61 Ca 0.50 0.21 -0.21 0.00 0.02 0.00 0.00 54.97 55.49 2c7h s GLU 61 Cb -0.23 -3.74 0.09 0.00 0.10 0.00 0.00 34.13 30.36 2c7h s GLU 61 CO 0.29 -0.57 1.14 0.71 0.02 0.00 0.00 175.26 176.86 2c7h s TYR 62 N 2.55 2.82 -1.00 1.61 2.02 0.99 -4.75 117.35 121.59 2c7h s TYR 62 Ca 0.24 -0.95 0.24 0.00 -0.37 0.00 0.00 57.07 56.23 2c7h s TYR 62 Cb -0.15 -4.38 0.33 0.00 -0.40 0.00 0.00 41.96 37.35 2c7h s TYR 62 CO 0.12 -1.66 1.29 0.25 -1.57 0.00 0.00 175.55 173.98 2c7h n THR 63 N 5.94 0.00 -3.89 -0.71 -2.24 -1.26 -3.69 114.28 108.43 2c7h n THR 63 Ca 0.16 -0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.59 2c7h n THR 63 Cb 0.48 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 2c7h n THR 63 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c7h s ASP 64 N -3.00 5.97 0.00 3.42 1.01 -1.26 -4.96 116.67 117.85 2c7h s ASP 64 Ca 0.10 0.21 0.30 0.00 0.71 0.00 0.00 52.55 53.88 2c7h s ASP 64 Cb 0.17 -2.01 1.82 0.00 1.01 0.00 0.00 42.92 43.91 2c7h s ASP 64 CO 0.74 0.23 2.16 -0.90 0.21 0.00 0.00 175.17 177.60 2c7h n ASP 65 N 3.21 0.00 -0.55 0.27 5.75 -1.26 -2.44 116.55 121.52 2c7h n ASP 65 Ca -0.17 -0.99 0.13 0.00 -0.01 0.00 0.00 54.79 53.74 2c7h n ASP 65 Cb 0.53 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.06 2c7h n ASP 65 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2c7h n ASN 66 N -0.99 1.69 -4.79 -1.12 0.23 -1.26 -0.64 115.26 108.39 2c7h n ASN 66 Ca 0.23 -1.62 -0.33 0.00 -0.53 0.00 0.00 54.58 52.33 2c7h n ASN 66 Cb 0.10 -0.05 0.02 0.00 -2.08 0.00 0.00 39.78 37.78 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 -1.90 2.64 -0.05 -2.53 0.00 -1.02 -4.78 121.76 114.11 2c7h s ALA 67 Ca 0.35 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.85 2c7h s ALA 67 Cb 0.20 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2c7h s ALA 67 CO 0.31 -0.97 -0.22 -0.48 0.00 0.00 0.00 175.76 174.39 2c7h s LEU 68 N -4.58 2.24 -0.21 0.00 0.05 -1.26 0.11 118.68 115.02 2c7h s LEU 68 Ca 0.65 -0.42 0.01 0.00 0.05 0.00 0.00 54.13 54.42 2c7h s LEU 68 Cb -0.18 -1.41 0.03 0.00 -2.05 0.00 0.00 46.19 42.58 2c7h s LEU 68 CO 0.38 0.28 -0.16 -0.63 -0.55 0.00 0.00 176.35 175.67 2c7h s ILE 69 N -0.39 2.19 0.54 1.48 1.09 0.17 -4.90 121.20 121.39 2c7h s ILE 69 Ca 0.03 -1.14 -0.15 0.00 -1.10 0.00 0.00 60.65 58.29 2c7h s ILE 69 Cb -0.12 -2.05 -0.07 0.00 -1.06 0.00 0.00 42.46 39.16 2c7h s ILE 69 CO 0.02 0.34 0.99 -2.16 -0.10 0.00 0.00 174.94 174.03 2c7h s PRO 70 N 1.24 3.85 0.65 2.79 0.04 -1.26 -1.09 135.00 141.22 2c7h s PRO 70 Ca 0.01 0.89 0.38 0.00 0.04 0.00 0.00 61.00 62.31 2c7h s PRO 70 Cb -0.15 -2.13 2.11 0.00 0.04 0.00 0.00 34.50 34.37 2c7h s PRO 70 CO -0.10 -0.34 2.24 1.57 0.04 0.00 0.00 177.00 180.41 2c7h h LYS 71 N 0.60 0.00 -0.01 4.56 2.10 -1.31 -1.06 116.57 121.45 2c7h h LYS 71 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2c7h h LYS 71 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2c7h h LYS 71 CO 0.62 0.00 -0.04 0.27 -2.00 0.00 0.00 179.45 178.29 2c7h n ASN 72 N -3.24 0.98 -4.57 7.07 0.23 -1.26 -4.50 115.26 109.96 2c7h n ASN 72 Ca -0.02 -1.19 -0.30 0.00 -0.53 0.00 0.00 54.58 52.54 2c7h n ASN 72 Cb 0.16 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.77 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2c7h s SER 73 N -2.13 4.40 -0.13 0.53 0.01 -0.40 -5.08 113.70 110.89 2c7h s SER 73 Ca 0.37 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 2c7h s SER 73 Cb 0.21 -0.86 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 2c7h s SER 73 CO 0.38 0.19 -0.04 -0.94 0.41 0.00 0.00 173.24 173.24 2c7h s SER 74 N -2.08 4.76 0.15 2.44 1.04 -1.26 -3.82 113.70 114.94 2c7h s SER 74 Ca 0.21 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.58 2c7h s SER 74 Cb -0.11 -1.64 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 2c7h s SER 74 CO 0.13 0.22 -0.08 0.68 0.98 0.00 0.00 173.24 175.16 2c7h s VAL 75 N 0.06 1.10 -0.19 5.02 -7.23 -0.34 -1.14 120.40 117.67 2c7h s VAL 75 Ca -0.00 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 2c7h s VAL 75 Cb -0.13 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 2c7h s VAL 75 CO 0.03 -0.70 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.48 2c7h s ILE 76 N -3.38 3.96 -0.38 -0.62 -1.09 0.26 -1.50 121.20 118.46 2c7h s ILE 76 Ca 0.18 -0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.18 2c7h s ILE 76 Cb 0.03 -2.78 0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2c7h s ILE 76 CO 0.01 0.44 0.21 -0.69 -1.23 0.00 0.00 174.94 173.68 2c7h s VAL 77 N 0.89 4.51 -0.14 2.92 1.01 0.16 0.03 120.40 129.78 2c7h s VAL 77 Ca 0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2c7h s VAL 77 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2c7h s VAL 77 CO 0.02 -0.26 -0.12 -0.60 0.00 0.00 0.00 175.10 174.14 2c7h s ARG 78 N 1.54 3.41 -0.12 2.72 3.52 0.34 -1.14 118.95 129.22 2c7h s ARG 78 Ca 0.02 -0.67 -0.18 0.00 -0.13 0.00 0.00 55.73 54.77 2c7h s ARG 78 Cb -0.19 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2c7h s ARG 78 CO 0.06 0.18 0.49 0.50 -0.81 0.00 0.00 175.30 175.72 2c7h s ARG 79 N 0.44 4.34 0.10 5.12 3.52 -1.26 0.35 118.95 131.56 2c7h s ARG 79 Ca -0.09 0.47 0.05 0.00 -0.13 0.00 0.00 55.73 56.03 2c7h s ARG 79 Cb -0.16 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2c7h s ARG 79 CO 0.05 0.15 -0.13 0.96 -0.81 0.00 0.00 175.30 175.51 2c7h s ILE 80 N 0.66 1.20 0.27 4.11 -5.25 0.02 -4.91 121.20 117.29 2c7h s ILE 80 Ca 0.26 -1.58 -0.30 0.00 -0.99 0.00 0.00 60.65 58.05 2c7h s ILE 80 Cb -0.15 -1.36 -0.10 0.00 2.95 0.00 0.00 42.46 43.80 2c7h s ILE 80 CO 0.11 -0.38 1.35 -2.16 -1.79 0.00 0.00 174.94 172.07 2c7h s PRO 81 N -2.40 4.34 0.46 0.37 0.04 -1.26 0.56 135.00 137.11 2c7h s PRO 81 Ca 0.05 2.20 0.12 0.00 0.04 0.00 0.00 61.00 63.40 2c7h s PRO 81 Cb -0.06 -3.12 1.04 0.00 0.04 0.00 0.00 34.50 32.40 2c7h s PRO 81 CO 0.02 -0.28 2.08 -0.84 0.04 0.00 0.00 177.00 178.02 2c7h h ILE 82 N 3.40 1.07 -0.39 0.56 3.07 -1.83 0.50 117.51 123.89 2c7h h ILE 82 Ca -0.47 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.74 2c7h h ILE 82 Cb 1.22 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2c7h h ILE 82 CO 0.73 0.08 0.00 0.61 -1.05 0.00 0.00 178.15 178.52 2c7h n GLY 83 N -1.40 1.59 2.31 0.16 0.00 -1.26 -4.26 105.19 102.33 2c7h n GLY 83 Ca -0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 2c7h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7h n GLY 84 N 0.84 2.55 3.55 -0.02 0.00 0.17 -5.05 105.19 107.22 2c7h n GLY 84 Ca 0.15 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2c7h n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c7h s VAL 85 N -1.23 4.09 0.00 1.61 1.01 -1.23 -4.26 120.40 120.38 2c7h s VAL 85 Ca 0.35 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2c7h s VAL 85 Cb 0.25 -5.06 0.00 0.00 0.00 0.00 0.00 36.38 31.57 2c7h s VAL 85 CO -0.11 -1.91 0.00 2.29 0.00 0.00 0.00 175.10 175.37