#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 3.92 0.65 1.61 0.02 -1.26 -4.99 135.00 134.95 2c7h s PRO 2 Ca 0.00 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.05 2c7h s PRO 2 Cb 0.00 -4.08 0.04 0.00 0.02 0.00 0.00 34.50 30.48 2c7h s PRO 2 CO 0.00 -1.16 0.95 -0.48 -0.33 0.00 0.00 177.00 175.97 2c7h s LEU 3 N 5.01 2.99 0.00 -5.54 0.05 -1.26 -4.52 118.68 115.41 2c7h s LEU 3 Ca 0.79 0.45 0.00 0.00 0.05 0.00 0.00 54.13 55.42 2c7h s LEU 3 Cb -0.32 -3.18 0.00 0.00 -2.05 0.00 0.00 46.19 40.64 2c7h s LEU 3 CO 0.32 -1.39 0.00 0.61 -0.55 0.00 0.00 176.35 175.34 2c7h n GLY 4 N -2.75 0.94 0.77 -3.48 0.00 -1.26 -4.96 105.19 94.45 2c7h n GLY 4 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2c7h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c7h n SER 5 N 0.00 2.38 -4.59 1.61 7.64 -1.26 -4.79 113.62 114.61 2c7h n SER 5 Ca 0.00 -1.79 -0.43 0.00 1.01 0.00 0.00 58.87 57.66 2c7h n SER 5 Cb 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2c7h n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2c7h s MET 6 N -1.93 3.70 -0.18 1.43 -1.94 -1.26 -4.95 119.30 114.16 2c7h s MET 6 Ca 0.33 0.45 -0.29 0.00 -1.71 0.00 0.00 55.69 54.47 2c7h s MET 6 Cb 0.20 -3.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.15 2c7h s MET 6 CO 0.31 -1.22 1.25 -1.12 -0.01 0.00 0.00 175.02 174.23 2c7h s SER 7 N 2.24 6.93 -0.01 3.03 0.01 -1.24 -4.98 113.70 119.68 2c7h s SER 7 Ca 0.42 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.31 2c7h s SER 7 Cb -0.09 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2c7h s SER 7 CO 0.26 -0.78 0.01 0.00 0.41 0.00 0.00 173.24 173.14 2c7h s VAL 9 N 0.47 4.22 -0.47 0.00 1.01 -0.49 -4.56 120.40 120.58 2c7h s VAL 9 Ca -0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2c7h s VAL 9 Cb -0.06 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2c7h s VAL 9 CO -0.01 0.42 1.32 -1.00 0.00 0.00 0.00 175.10 175.83 2c7h s HIS 10 N 0.96 2.50 -0.04 5.22 3.76 -1.26 -1.81 115.29 124.63 2c7h s HIS 10 Ca 0.02 0.63 0.04 0.00 -0.15 0.00 0.00 55.06 55.61 2c7h s HIS 10 Cb -0.14 -4.38 -0.00 0.00 1.11 0.00 0.00 32.58 29.17 2c7h s HIS 10 CO 0.02 -1.76 -0.16 1.52 -0.85 0.00 0.00 174.74 173.52 2c7h s TYR 11 N 5.25 1.56 -0.07 1.40 1.13 0.21 -1.34 117.35 125.50 2c7h s TYR 11 Ca 0.55 -0.43 0.03 0.00 -1.41 0.00 0.00 57.07 55.81 2c7h s TYR 11 Cb -0.11 -1.06 -0.02 0.00 -1.10 0.00 0.00 41.96 39.68 2c7h s TYR 11 CO 0.31 -0.15 -0.17 -1.59 -2.51 0.00 0.00 175.55 171.44 2c7h s LYS 12 N 0.05 2.74 0.46 -3.49 -2.85 -0.89 0.40 119.74 116.17 2c7h s LYS 12 Ca -0.03 -0.75 -0.04 0.00 -1.00 0.00 0.00 55.97 54.15 2c7h s LYS 12 Cb -0.11 -2.38 -0.03 0.00 -2.06 0.00 0.00 37.83 33.25 2c7h s LYS 12 CO 0.02 0.45 0.74 0.12 0.10 0.00 0.00 175.35 176.78 2c7h s PHE 13 N -0.29 3.49 0.52 1.78 2.19 -1.26 0.24 117.98 124.65 2c7h s PHE 13 Ca 0.01 0.66 0.18 0.00 0.33 0.00 0.00 56.93 58.12 2c7h s PHE 13 Cb -0.13 -2.27 1.28 0.00 -1.31 0.00 0.00 43.02 40.60 2c7h s PHE 13 CO 0.03 -0.26 2.10 0.77 1.83 0.00 0.00 175.22 179.68 2c7h h SER 14 N 0.30 0.03 -0.04 6.13 0.02 -1.31 -0.01 113.55 118.67 2c7h h SER 14 Ca -0.47 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2c7h h SER 14 Cb 1.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2c7h h SER 14 CO 0.61 0.02 0.00 -1.20 -1.14 0.00 0.00 176.83 175.12 2c7h n SER 15 N -4.49 0.95 -4.19 3.07 7.64 -1.26 -4.79 113.62 110.56 2c7h n SER 15 Ca 0.01 -1.41 -0.27 0.00 1.01 0.00 0.00 58.87 58.21 2c7h n SER 15 Cb 0.25 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.95 1.72 0.10 1.43 3.01 -0.02 -5.01 119.74 119.03 2c7h s LYS 16 Ca 0.38 -0.70 0.14 0.00 -1.01 0.00 0.00 55.97 54.78 2c7h s LYS 16 Cb 0.19 -1.59 -0.12 0.00 -1.01 0.00 0.00 37.83 35.30 2c7h s LYS 16 CO 0.31 0.37 1.02 -0.07 0.51 0.00 0.00 175.35 177.50 2c7h h LEU 17 N 5.84 0.00-10.11 3.17 3.38 -1.87 -3.38 115.31 112.34 2c7h h LEU 17 Ca -0.36 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.06 2c7h h LEU 17 Cb 1.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 2c7h h LEU 17 CO 0.48 0.71 -0.40 0.20 0.09 0.00 0.00 178.44 179.51 2c7h s ASN 18 N -6.16 4.72 0.02 -0.43 0.01 -1.26 -5.06 114.94 106.77 2c7h s ASN 18 Ca -0.01 -0.99 -0.16 0.00 -0.71 0.00 0.00 52.86 50.99 2c7h s ASN 18 Cb 0.08 -0.30 -0.06 0.00 0.41 0.00 0.00 41.25 41.39 2c7h s ASN 18 CO 0.80 -0.72 0.46 -0.31 -1.51 0.00 0.00 177.10 175.82 2c7h s TYR 19 N -2.59 3.74 0.51 2.20 1.51 -1.26 -4.48 117.35 116.98 2c7h s TYR 19 Ca 0.42 1.07 0.08 0.00 -1.01 0.00 0.00 57.07 57.63 2c7h s TYR 19 Cb -0.00 -2.36 0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2c7h s TYR 19 CO 0.24 0.61 0.60 -0.51 -1.11 0.00 0.00 175.55 175.38 2c7h s ASP 20 N -1.02 5.11 -0.03 2.29 1.11 0.16 -4.87 116.67 119.43 2c7h s ASP 20 Ca 0.25 -0.82 0.01 0.00 0.18 0.00 0.00 52.55 52.17 2c7h s ASP 20 Cb -0.17 -0.02 0.02 0.00 1.07 0.00 0.00 42.92 43.82 2c7h s ASP 20 CO 0.15 -1.06 -0.01 0.42 1.18 0.00 0.00 175.17 175.85 2c7h s THR 21 N -2.59 0.22 -0.19 -1.27 -4.23 -1.25 -0.62 115.64 105.71 2c7h s THR 21 Ca 0.53 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2c7h s THR 21 Cb -0.05 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.47 2c7h s THR 21 CO 0.32 0.14 -0.02 0.54 -0.54 0.00 0.00 174.62 175.06 2c7h s VAL 22 N 0.85 3.77 0.06 2.29 0.11 -0.75 -4.88 120.40 121.86 2c7h s VAL 22 Ca -0.09 -0.38 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 2c7h s VAL 22 Cb -0.12 -2.69 -0.06 0.00 -1.53 0.00 0.00 36.38 31.98 2c7h s VAL 22 CO -0.01 0.45 0.51 0.42 -3.33 0.00 0.00 175.10 173.13 2c7h s THR 23 N 0.90 4.87 0.30 5.04 -4.23 -1.25 -1.40 115.64 119.87 2c7h s THR 23 Ca 0.00 1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.43 2c7h s THR 23 Cb -0.14 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.90 2c7h s THR 23 CO 0.01 0.50 0.49 0.72 -0.54 0.00 0.00 174.62 175.81 2c7h s PHE 24 N -1.17 0.65 -0.07 3.99 -0.71 -0.02 -4.98 117.98 115.67 2c7h s PHE 24 Ca 0.29 -0.99 -0.01 0.00 -1.04 0.00 0.00 56.93 55.18 2c7h s PHE 24 Cb -0.18 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 2c7h s PHE 24 CO 0.17 -1.09 0.00 -0.51 -1.34 0.00 0.00 175.22 172.46 2c7h s ASP 25 N -3.12 5.22 0.00 1.98 1.01 -1.26 -3.65 116.67 116.86 2c7h s ASP 25 Ca 0.26 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.64 2c7h s ASP 25 Cb -0.01 -1.45 0.00 0.00 1.01 0.00 0.00 42.92 42.47 2c7h s ASP 25 CO 0.14 0.36 0.00 0.61 0.21 0.00 0.00 175.17 176.49 2c7h n GLY 26 N 2.01 -1.34 0.14 0.21 0.00 -1.26 -4.77 105.19 100.18 2c7h n GLY 26 Ca -0.18 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.43 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 2.58 -4.17 0.99 0.00 -1.26 -4.72 117.00 110.43 2c7h n LEU 27 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 56.01 56.10 2c7h n LEU 27 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 43.42 42.19 2c7h n LEU 27 CO 0.00 0.82 -0.41 -1.38 0.00 0.00 0.00 177.39 176.41 2c7h s HIS 28 N -2.55 1.02 -0.12 1.96 -3.43 -1.26 -1.37 115.29 109.54 2c7h s HIS 28 Ca -0.23 -0.66 0.03 0.00 -0.80 0.00 0.00 55.06 53.40 2c7h s HIS 28 Cb 0.06 -0.56 0.01 0.00 -1.43 0.00 0.00 32.58 30.66 2c7h s HIS 28 CO 0.76 -0.02 -0.20 -1.50 -2.00 0.00 0.00 174.74 171.78 2c7h s ILE 29 N -2.45 1.89 0.56 -5.38 2.07 0.36 -4.91 121.20 113.35 2c7h s ILE 29 Ca 0.05 -0.89 -0.21 0.00 -1.41 0.00 0.00 60.65 58.19 2c7h s ILE 29 Cb -0.03 -1.67 -0.04 0.00 0.13 0.00 0.00 42.46 40.85 2c7h s ILE 29 CO -0.00 0.52 1.36 -0.44 -1.91 0.00 0.00 174.94 174.46 2c7h s SER 30 N 0.73 5.15 0.31 4.50 0.01 -1.26 0.36 113.70 123.49 2c7h s SER 30 Ca -0.10 2.76 -0.00 0.00 1.31 0.00 0.00 55.95 59.92 2c7h s SER 30 Cb -0.16 -2.63 0.50 0.00 0.21 0.00 0.00 66.02 63.94 2c7h s SER 30 CO 0.01 -1.65 1.95 0.25 0.41 0.00 0.00 173.24 174.21 2c7h h LEU 31 N 1.31 0.90 -0.46 2.44 5.85 0.98 0.23 115.31 126.57 2c7h h LEU 31 Ca -0.51 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.26 2c7h h LEU 31 Cb 1.31 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2c7h h LEU 31 CO 0.57 0.63 0.16 0.00 -0.34 0.00 0.00 178.44 179.45 2c7h h ASP 33 N 0.34 0.83 -0.16 0.00 3.32 -1.35 -2.12 116.42 117.27 2c7h h ASP 33 Ca 0.22 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 2c7h h ASP 33 Cb 0.21 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2c7h h ASP 33 CO -0.22 1.07 -0.07 0.25 -1.72 0.00 0.00 179.24 178.55 2c7h h LEU 34 N 0.60 0.35 -0.52 1.55 6.46 -0.28 -2.70 115.31 120.76 2c7h h LEU 34 Ca 0.08 -0.40 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 2c7h h LEU 34 Cb 0.77 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2c7h h LEU 34 CO 0.06 0.67 0.14 0.11 -0.62 0.00 0.00 178.44 178.80 2c7h h LYS 35 N 0.02 0.83 -0.63 1.25 1.57 -0.28 -0.85 116.57 118.48 2c7h h LYS 35 Ca 0.04 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2c7h h LYS 35 Cb 0.54 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2c7h h LYS 35 CO 0.02 0.78 0.33 0.87 -0.57 0.00 0.00 179.45 180.88 2c7h h LYS 36 N 0.72 0.87 -0.17 3.15 6.56 -1.40 0.32 116.57 126.62 2c7h h LYS 36 Ca 0.16 -0.10 -0.10 0.00 -1.06 0.00 0.00 60.65 59.55 2c7h h LYS 36 Cb 0.32 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2c7h h LYS 36 CO -0.00 0.65 -0.30 1.96 -2.06 0.00 0.00 179.45 179.70 2c7h h GLN 37 N 0.87 0.50 -0.55 3.15 1.08 -1.11 -2.76 115.11 116.29 2c7h h GLN 37 Ca 0.22 -0.32 -0.11 0.00 -1.45 0.00 0.00 58.65 57.00 2c7h h GLN 37 Cb 0.05 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2c7h h GLN 37 CO -0.03 0.92 -0.07 0.82 -0.95 0.00 0.00 178.83 179.52 2c7h h ILE 38 N 0.14 1.27 -0.99 2.54 2.04 -0.67 -0.44 117.51 121.41 2c7h h ILE 38 Ca 0.01 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2c7h h ILE 38 Cb 0.89 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2c7h h ILE 38 CO 0.07 0.43 0.63 0.24 0.00 0.00 0.00 178.15 179.52 2c7h h MET 39 N 0.90 1.31 -0.19 2.37 2.86 -0.41 0.27 114.93 122.05 2c7h h MET 39 Ca 0.15 -0.10 -0.21 0.00 -2.06 0.00 0.00 59.70 57.48 2c7h h MET 39 Cb 0.63 -0.29 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2c7h h MET 39 CO 0.04 0.89 -0.71 0.78 1.06 0.00 0.00 176.91 178.97 2c7h h GLY 40 N 1.35 0.87 0.59 8.32 0.00 -1.26 0.30 103.07 113.24 2c7h h GLY 40 Ca 0.36 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2c7h h GLY 40 CO -0.07 1.04 -0.01 -0.09 0.00 0.00 0.00 176.54 177.40 2c7h h ARG 41 N 0.56 0.04 0.00 4.80 2.43 -0.49 -3.24 114.38 118.49 2c7h h ARG 41 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2c7h h ARG 41 Cb 1.33 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2c7h h ARG 41 CO 0.15 0.47 -0.17 0.39 -1.51 0.00 0.00 179.97 179.30 2c7h n GLU 42 N -4.84 0.23 -1.88 0.20 -0.58 0.89 -4.94 120.64 109.72 2c7h n GLU 42 Ca -0.08 0.15 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2c7h n GLU 42 Cb 0.24 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 -2.12 -0.40 -3.85 3.49 4.76 -0.88 -5.07 118.16 114.09 2c7h n LYS 43 Ca 0.05 0.50 -0.29 0.00 -2.87 0.00 0.00 58.31 55.71 2c7h n LYS 43 Cb 0.42 -2.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.08 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 -2.94 4.31 -0.47 -0.35 1.02 1.00 -5.03 118.68 116.22 2c7h s LEU 44 Ca 0.05 0.30 -0.11 0.00 0.02 0.00 0.00 54.13 54.39 2c7h s LEU 44 Cb -0.01 -3.03 0.10 0.00 0.02 0.00 0.00 46.19 43.27 2c7h s LEU 44 CO 0.17 0.07 0.35 -1.59 0.02 0.00 0.00 176.35 175.37 2c7h s LYS 45 N -2.95 2.66 0.00 1.70 -2.85 -1.26 -4.81 119.74 112.23 2c7h s LYS 45 Ca 0.36 -1.61 0.18 0.00 -1.00 0.00 0.00 55.97 53.90 2c7h s LYS 45 Cb -0.12 -3.97 0.86 0.00 -2.06 0.00 0.00 37.83 32.54 2c7h s LYS 45 CO 0.28 -1.12 1.57 0.00 0.10 0.00 0.00 175.35 176.18 2c7h n ALA 46 N 5.00 1.92 1.03 0.59 0.00 -1.26 -1.36 120.51 126.44 2c7h n ALA 46 Ca -0.10 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2c7h n ALA 46 Cb 0.42 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.39 3.69 -0.05 0.00 0.00 -1.26 -4.34 120.51 117.16 2c7h n ALA 47 Ca 0.07 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 2c7h n ALA 47 Cb 0.18 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.34 2.59 -4.35 0.00 -0.08 -0.73 -3.44 116.55 109.20 2c7h n ASP 48 Ca 0.06 -0.01 -0.21 0.00 -1.51 0.00 0.00 54.79 53.12 2c7h n ASP 48 Cb 0.34 -0.20 -0.10 0.00 2.34 0.00 0.00 41.12 43.50 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 -3.47 2.90 -0.21 0.00 -1.08 0.19 -4.22 116.67 110.77 2c7h s ASP 50 Ca 0.34 -1.40 0.02 0.00 -0.52 0.00 0.00 52.55 50.99 2c7h s ASP 50 Cb 0.07 -0.14 0.04 0.00 -1.46 0.00 0.00 42.92 41.43 2c7h s ASP 50 CO 0.15 -0.58 -0.15 -0.22 0.52 0.00 0.00 175.17 174.89 2c7h s LEU 51 N -3.57 2.58 -0.27 -1.34 2.96 -1.26 -1.15 118.68 116.62 2c7h s LEU 51 Ca 0.35 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2c7h s LEU 51 Cb 0.09 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.36 2c7h s LEU 51 CO 0.16 -0.09 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.50 2c7h s GLN 52 N 1.25 2.68 -0.14 1.98 0.74 0.74 -4.94 119.66 121.96 2c7h s GLN 52 Ca -0.01 -1.09 -0.09 0.00 0.05 0.00 0.00 55.36 54.21 2c7h s GLN 52 Cb -0.16 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 2c7h s GLN 52 CO -0.09 -0.50 0.18 0.42 -0.55 0.00 0.00 175.29 174.74 2c7h s ILE 53 N 1.31 5.41 -0.05 -2.34 1.09 -1.22 -0.47 121.20 124.94 2c7h s ILE 53 Ca -0.02 0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.87 2c7h s ILE 53 Cb -0.18 -3.48 -0.00 0.00 -1.06 0.00 0.00 42.46 37.74 2c7h s ILE 53 CO -0.02 0.53 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.26 2c7h s THR 54 N -0.36 1.60 0.29 2.92 2.01 0.99 0.28 115.64 123.36 2c7h s THR 54 Ca 0.13 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 2c7h s THR 54 Cb -0.12 -1.37 -0.11 0.00 0.01 0.00 0.00 72.50 70.91 2c7h s THR 54 CO 0.03 0.45 1.56 0.21 -0.69 0.00 0.00 174.62 176.18 2c7h s ASN 55 N 0.02 6.42 0.36 3.53 3.84 0.65 0.71 114.94 130.47 2c7h s ASN 55 Ca -0.05 2.90 0.18 0.00 0.21 0.00 0.00 52.86 56.11 2c7h s ASN 55 Cb -0.12 -2.63 0.60 0.00 -0.55 0.00 0.00 41.25 38.54 2c7h s ASN 55 CO 0.03 -0.87 1.69 0.00 -2.79 0.00 0.00 177.10 175.16 2c7h h ALA 56 N 4.80 0.94 0.00 1.71 0.00 -1.65 -0.87 119.26 124.19 2c7h h ALA 56 Ca -0.47 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 53.85 2c7h h ALA 56 Cb 1.22 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2c7h h ALA 56 CO 0.78 0.49 -1.46 1.04 0.00 0.00 0.00 179.25 180.10 2c7h n GLN 57 N -3.47 0.55 0.03 0.00 6.02 -1.26 -4.56 117.38 114.68 2c7h n GLN 57 Ca 0.00 0.46 0.11 0.00 -0.01 0.00 0.00 57.00 57.56 2c7h n GLN 57 Cb 0.54 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 2c7h n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2c7h n THR 58 N -4.42 0.18 -2.07 5.09 -2.24 -1.25 -4.94 114.28 104.62 2c7h n THR 58 Ca -0.33 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 60.96 2c7h n THR 58 Cb 0.66 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 2c7h n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c7h n LYS 59 N -2.06 -1.41 -2.30 -0.78 4.01 -0.33 -4.95 118.16 110.34 2c7h n LYS 59 Ca 0.01 0.98 -0.43 0.00 -0.51 0.00 0.00 58.31 58.36 2c7h n LYS 59 Cb 0.47 -5.42 -0.02 0.00 -0.51 0.00 0.00 35.03 29.54 2c7h n LYS 59 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2c7h s GLU 60 N -4.46 3.98 -0.13 1.97 2.12 -1.26 -4.62 118.70 116.30 2c7h s GLU 60 Ca 0.00 1.55 -0.23 0.00 0.36 0.00 0.00 54.97 56.65 2c7h s GLU 60 Cb 0.00 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2c7h s GLU 60 CO 0.00 -1.04 0.69 -1.21 -0.54 0.00 0.00 175.26 173.16 2c7h s GLU 61 N 4.13 4.33 -0.49 4.30 2.02 -1.26 -0.25 118.70 131.48 2c7h s GLU 61 Ca 0.62 0.80 -0.16 0.00 0.02 0.00 0.00 54.97 56.24 2c7h s GLU 61 Cb -0.22 -3.51 0.08 0.00 0.10 0.00 0.00 34.13 30.58 2c7h s GLU 61 CO 0.23 -0.10 0.44 0.71 0.02 0.00 0.00 175.26 176.56 2c7h s TYR 62 N 1.41 3.22 -0.82 1.61 2.02 0.14 -4.83 117.35 120.10 2c7h s TYR 62 Ca 0.34 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 56.16 2c7h s TYR 62 Cb -0.17 -3.34 0.03 0.00 -0.40 0.00 0.00 41.96 38.08 2c7h s TYR 62 CO 0.14 -0.87 0.64 0.25 -1.57 0.00 0.00 175.55 174.14 2c7h n THR 63 N 5.26 0.00 -4.21 -0.71 -2.24 -1.26 -3.38 114.28 107.74 2c7h n THR 63 Ca -0.12 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.85 2c7h n THR 63 Cb 0.43 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.89 5.28 0.16 3.42 1.01 -1.26 -4.98 116.67 119.42 2c7h s ASP 64 Ca 0.08 0.03 0.16 0.00 0.71 0.00 0.00 52.55 53.52 2c7h s ASP 64 Cb 0.06 -1.82 0.74 0.00 1.01 0.00 0.00 42.92 42.91 2c7h s ASP 64 CO 0.14 0.21 1.50 0.47 0.21 0.00 0.00 175.17 177.70 2c7h n ASP 65 N 3.25 0.34 -0.61 0.27 9.92 -1.26 -0.76 116.55 127.70 2c7h n ASP 65 Ca -0.17 0.61 0.12 0.00 -0.53 0.00 0.00 54.79 54.82 2c7h n ASP 65 Cb 0.53 -0.68 0.40 0.00 -0.64 0.00 0.00 41.12 40.73 2c7h n ASP 65 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2c7h n ASN 66 N -1.91 1.86 -4.78 -2.24 3.02 -1.26 -0.70 115.26 109.25 2c7h n ASN 66 Ca 0.01 -1.67 -0.36 0.00 -0.03 0.00 0.00 54.58 52.53 2c7h n ASN 66 Cb 0.12 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c7h s ALA 67 N -1.88 2.91 -0.04 5.41 0.00 0.06 -4.79 121.76 123.43 2c7h s ALA 67 Ca 0.35 0.81 0.07 0.00 0.00 0.00 0.00 51.96 53.19 2c7h s ALA 67 Cb 0.20 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2c7h s ALA 67 CO 0.30 -0.55 -0.24 -0.48 0.00 0.00 0.00 175.76 174.80 2c7h s LEU 68 N -3.22 2.17 -0.23 0.00 0.05 -1.26 0.11 118.68 116.30 2c7h s LEU 68 Ca 0.65 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 54.41 2c7h s LEU 68 Cb -0.24 -1.39 0.04 0.00 -2.05 0.00 0.00 46.19 42.55 2c7h s LEU 68 CO 0.29 0.30 -0.13 -0.63 -0.55 0.00 0.00 176.35 175.63 2c7h s ILE 69 N -0.48 2.26 0.52 1.48 1.09 0.16 -4.91 121.20 121.31 2c7h s ILE 69 Ca 0.06 -1.33 -0.18 0.00 -1.10 0.00 0.00 60.65 58.11 2c7h s ILE 69 Cb -0.11 -2.19 -0.07 0.00 -1.06 0.00 0.00 42.46 39.03 2c7h s ILE 69 CO 0.01 0.18 1.02 -2.16 -0.10 0.00 0.00 174.94 173.88 2c7h s PRO 70 N 1.20 3.75 0.61 2.79 0.04 -1.26 -0.48 135.00 141.65 2c7h s PRO 70 Ca -0.03 1.16 0.34 0.00 0.04 0.00 0.00 61.00 62.51 2c7h s PRO 70 Cb -0.17 -2.10 1.96 0.00 0.04 0.00 0.00 34.50 34.23 2c7h s PRO 70 CO -0.07 -0.45 2.26 1.57 0.04 0.00 0.00 177.00 180.34 2c7h h LYS 71 N 1.08 0.00 0.00 4.56 2.10 -1.47 -0.76 116.57 122.08 2c7h h LYS 71 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2c7h h LYS 71 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2c7h h LYS 71 CO 0.59 0.00 0.00 -2.95 -2.00 0.00 0.00 179.45 175.09 2c7h h ASN 72 N 0.00 0.00 -2.65 7.07 7.08 -1.83 -3.40 115.58 121.84 2c7h h ASN 72 Ca 0.01 0.00 -0.67 0.00 -3.08 0.00 0.00 56.30 52.56 2c7h h ASN 72 Cb 0.09 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.26 2c7h h ASN 72 CO -0.00 0.00 -0.48 -0.44 -2.08 0.00 0.00 177.43 174.43 2c7h s SER 73 N -5.26 6.38 -0.14 6.14 0.01 -0.29 -5.02 113.70 115.52 2c7h s SER 73 Ca 0.08 0.47 -0.09 0.00 1.31 0.00 0.00 55.95 57.72 2c7h s SER 73 Cb 0.09 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 2c7h s SER 73 CO 0.61 0.41 0.16 -0.55 0.41 0.00 0.00 173.24 174.28 2c7h s SER 74 N -1.01 6.37 0.12 2.44 0.15 -1.26 -4.16 113.70 116.35 2c7h s SER 74 Ca 0.15 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.28 2c7h s SER 74 Cb -0.12 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2c7h s SER 74 CO 0.04 0.32 -0.12 0.68 1.20 0.00 0.00 173.24 175.36 2c7h s VAL 75 N -0.55 1.17 -0.17 4.45 -7.23 -0.45 -1.75 120.40 115.88 2c7h s VAL 75 Ca 0.14 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2c7h s VAL 75 Cb -0.12 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2c7h s VAL 75 CO 0.03 -0.52 0.03 -0.63 -0.31 0.00 0.00 175.10 173.70 2c7h s ILE 76 N -2.45 4.55 -0.33 -0.62 -1.09 0.22 -2.08 121.20 119.39 2c7h s ILE 76 Ca 0.09 -0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.30 2c7h s ILE 76 Cb -0.03 -3.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 2c7h s ILE 76 CO 0.02 0.48 0.15 -0.69 -1.23 0.00 0.00 174.94 173.67 2c7h s VAL 77 N 0.25 4.37 -0.03 2.92 1.01 0.14 -0.01 120.40 129.05 2c7h s VAL 77 Ca 0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2c7h s VAL 77 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2c7h s VAL 77 CO 0.01 -0.05 0.03 -0.60 0.00 0.00 0.00 175.10 174.49 2c7h s ARG 78 N 1.55 2.94 -0.29 2.72 3.52 0.38 -0.73 118.95 129.05 2c7h s ARG 78 Ca 0.03 -0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 55.04 2c7h s ARG 78 Cb -0.18 -2.77 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 2c7h s ARG 78 CO 0.05 0.66 0.12 0.50 -0.81 0.00 0.00 175.30 175.82 2c7h s ARG 79 N -1.43 3.43 0.18 5.12 3.52 -1.26 -0.19 118.95 128.32 2c7h s ARG 79 Ca 0.19 -0.65 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 2c7h s ARG 79 Cb -0.12 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2c7h s ARG 79 CO 0.09 -0.34 -0.10 0.96 -0.81 0.00 0.00 175.30 175.10 2c7h s ILE 80 N 1.60 3.17 0.36 4.11 -5.25 -0.30 -4.94 121.20 119.96 2c7h s ILE 80 Ca 0.05 -1.65 -0.26 0.00 -0.99 0.00 0.00 60.65 57.80 2c7h s ILE 80 Cb -0.16 -2.57 -0.09 0.00 2.95 0.00 0.00 42.46 42.59 2c7h s ILE 80 CO 0.05 -0.10 1.08 -2.16 -1.79 0.00 0.00 174.94 172.02 2c7h s PRO 81 N -2.80 4.31 0.21 0.37 0.04 -1.26 0.54 135.00 136.40 2c7h s PRO 81 Ca 0.25 1.65 0.24 0.00 0.04 0.00 0.00 61.00 63.18 2c7h s PRO 81 Cb -0.09 -2.77 0.46 0.00 0.04 0.00 0.00 34.50 32.13 2c7h s PRO 81 CO 0.15 -0.05 1.49 -0.84 0.04 0.00 0.00 177.00 177.79 2c7h h ILE 82 N 2.51 0.00 0.00 0.56 3.07 -1.85 -3.43 117.51 118.37 2c7h h ILE 82 Ca -0.48 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.31 2c7h h ILE 82 Cb 1.22 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 2c7h h ILE 82 CO 0.64 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.35 2c7h n GLY 83 N 1.27 2.28 3.10 0.16 0.00 -1.26 -4.95 105.19 105.79 2c7h n GLY 83 Ca 0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.62 0.12 -0.02 0.00 -1.26 -5.10 107.32 101.68 2c7h s GLY 84 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 44.72 43.50 2c7h s GLY 84 CO 0.00 -0.96 1.77 0.54 0.00 0.00 0.00 173.10 174.45 2c7h s VAL 85 N -1.73 2.59 0.00 1.40 0.11 -1.26 -4.97 120.40 116.53 2c7h s VAL 85 Ca -0.05 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2c7h s VAL 85 Cb -0.08 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2c7h s VAL 85 CO -0.00 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.06