#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q7y s LYS 3 N 0.00 2.01 0.05 3.69 1.02 -0.12 -4.95 119.74 121.44 2q7y s LYS 3 Ca 0.00 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.08 2q7y s LYS 3 Cb 0.00 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 2q7y s LYS 3 CO 0.00 0.23 0.80 0.99 -0.92 0.00 0.00 175.35 176.45 2q7y s THR 4 N 0.13 4.70 0.36 2.17 2.01 -1.26 -2.27 115.64 121.48 2q7y s THR 4 Ca -0.07 1.71 -0.27 0.00 0.31 0.00 0.00 61.69 63.38 2q7y s THR 4 Cb -0.13 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 2q7y s THR 4 CO 0.03 0.35 1.18 -2.16 -0.69 0.00 0.00 174.62 173.33 2q7y s PRO 5 N 0.00 4.25 -0.01 4.92 0.04 -1.26 -4.47 135.00 138.47 2q7y s PRO 5 Ca 0.40 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 2q7y s PRO 5 Cb -0.21 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2q7y s PRO 5 CO 0.24 -0.17 0.23 -0.65 0.04 0.00 0.00 177.00 176.69 2q7y s GLN 6 N -2.02 3.53 -0.08 4.56 -1.52 0.12 -4.92 119.66 119.33 2q7y s GLN 6 Ca 0.53 -0.15 0.02 0.00 -1.95 0.00 0.00 55.36 53.81 2q7y s GLN 6 Cb -0.33 -3.09 0.01 0.00 -0.22 0.00 0.00 33.01 29.38 2q7y s GLN 6 CO 0.42 0.67 -0.15 0.42 -0.25 0.00 0.00 175.29 176.40 2q7y s ILE 7 N -1.29 1.34 -0.09 1.08 1.01 -1.26 -1.24 121.20 120.75 2q7y s ILE 7 Ca 0.26 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2q7y s ILE 7 Cb -0.13 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.15 2q7y s ILE 7 CO 0.16 0.40 -0.16 -1.10 0.00 0.00 0.00 174.94 174.24 2q7y s GLN 8 N 0.67 2.19 -0.13 2.79 -0.21 -0.59 -4.98 119.66 119.40 2q7y s GLN 8 Ca -0.14 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 54.69 2q7y s GLN 8 Cb -0.16 -1.77 0.01 0.00 1.00 0.00 0.00 33.01 32.09 2q7y s GLN 8 CO 0.04 0.05 -0.22 0.08 -2.12 0.00 0.00 175.29 173.11 2q7y s VAL 9 N 0.66 2.05 0.09 1.09 1.01 -1.26 -0.78 120.40 123.25 2q7y s VAL 9 Ca -0.14 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 2q7y s VAL 9 Cb -0.16 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.47 2q7y s VAL 9 CO 0.04 0.55 0.52 -0.72 0.00 0.00 0.00 175.10 175.49 2q7y s TYR 10 N 0.70 -0.41 0.09 5.22 1.13 -0.79 -4.74 117.35 118.55 2q7y s TYR 10 Ca -0.10 0.32 -0.03 0.00 -1.41 0.00 0.00 57.07 55.85 2q7y s TYR 10 Cb -0.16 0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 2q7y s TYR 10 CO 0.01 -0.71 0.29 -1.54 -2.51 0.00 0.00 175.55 171.09 2q7y s SER 11 N -2.34 6.43 0.23 -0.18 1.04 0.04 -0.36 113.70 118.56 2q7y s SER 11 Ca -0.02 0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 2q7y s SER 11 Cb -0.00 -2.03 0.26 0.00 0.10 0.00 0.00 66.02 64.35 2q7y s SER 11 CO -0.07 0.13 1.64 -0.09 0.98 0.00 0.00 173.24 175.84 2q7y h ARG 12 N 3.09 0.62 -5.67 4.02 9.65 -1.20 -3.46 114.38 121.43 2q7y h ARG 12 Ca -0.46 -0.27 -0.50 0.00 -1.10 0.00 0.00 59.98 57.66 2q7y h ARG 12 Cb 1.17 -0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 29.59 2q7y h ARG 12 CO 0.73 0.84 -0.72 -1.01 2.80 0.00 0.00 179.97 182.62 2q7y s HIS 13 N -4.45 1.91 0.10 2.20 3.76 -1.26 -5.04 115.29 112.51 2q7y s HIS 13 Ca -0.08 -0.57 -0.36 0.00 -0.15 0.00 0.00 55.06 53.90 2q7y s HIS 13 Cb 0.13 -0.95 -0.16 0.00 1.11 0.00 0.00 32.58 32.71 2q7y s HIS 13 CO 0.82 0.40 1.41 -2.30 -0.85 0.00 0.00 174.74 174.22 2q7y n PRO 14 N -0.50 1.42 -2.32 8.40 -0.02 -1.26 -4.86 135.00 135.86 2q7y n PRO 14 Ca -0.07 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2q7y n PRO 14 Cb 0.61 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2q7y n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2q7y s PRO 15 N 0.66 4.34 -0.05 0.52 0.04 -1.26 -4.98 135.00 134.27 2q7y s PRO 15 Ca 0.83 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.76 2q7y s PRO 15 Cb -0.88 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 30.19 2q7y s PRO 15 CO 0.45 -0.45 -0.12 -1.21 0.04 0.00 0.00 177.00 175.71 2q7y s GLU 16 N 1.86 1.39 0.23 4.56 2.02 -1.26 -5.11 118.70 122.39 2q7y s GLU 16 Ca 0.61 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.90 2q7y s GLU 16 Cb -0.30 -1.22 -0.10 0.00 0.10 0.00 0.00 34.13 32.61 2q7y s GLU 16 CO 0.27 0.09 1.53 -0.80 0.02 0.00 0.00 175.26 176.37 2q7y s ASN 17 N 0.39 6.56 0.00 -0.19 0.01 -1.26 -2.16 114.94 118.30 2q7y s ASN 17 Ca -0.08 2.71 0.00 0.00 -0.71 0.00 0.00 52.86 54.78 2q7y s ASN 17 Cb -0.12 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2q7y s ASN 17 CO 0.02 -0.80 0.00 0.61 -1.51 0.00 0.00 177.10 175.42 2q7y n GLY 18 N 2.82 1.43 3.52 0.66 0.00 0.02 -4.98 105.19 108.65 2q7y n GLY 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2q7y n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2q7y s LYS 19 N -0.39 3.79 0.26 1.61 2.20 -0.92 -4.98 119.74 121.30 2q7y s LYS 19 Ca 0.00 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 2q7y s LYS 19 Cb 0.00 -3.29 -0.14 0.00 -1.51 0.00 0.00 37.83 32.88 2q7y s LYS 19 CO 0.00 -0.01 1.14 -2.30 -0.36 0.00 0.00 175.35 173.82 2q7y n PRO 20 N 4.40 1.49 -2.32 4.03 -0.02 -1.26 -4.22 135.00 137.10 2q7y n PRO 20 Ca -0.16 0.52 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 2q7y n PRO 20 Cb 0.52 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 2q7y n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2q7y n ASN 21 N 1.52 -0.38 -3.99 2.55 2.85 0.11 -4.99 115.26 112.92 2q7y n ASN 21 Ca 0.11 -1.56 -0.22 0.00 -0.11 0.00 0.00 54.58 52.79 2q7y n ASN 21 Cb 0.30 0.72 -0.16 0.00 1.24 0.00 0.00 39.78 41.88 2q7y n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2q7y s ILE 22 N -2.53 0.91 -0.15 -1.44 1.01 -1.26 -1.65 121.20 116.10 2q7y s ILE 22 Ca 0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2q7y s ILE 22 Cb -0.00 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2q7y s ILE 22 CO 0.06 0.30 -0.03 -0.22 0.00 0.00 0.00 174.94 175.05 2q7y s LEU 23 N 0.56 3.32 -0.02 2.97 2.96 0.35 -0.64 118.68 128.18 2q7y s LEU 23 Ca -0.10 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2q7y s LEU 23 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2q7y s LEU 23 CO 0.02 0.19 -0.03 0.20 -1.32 0.00 0.00 176.35 175.41 2q7y s ASN 24 N 0.23 4.90 -0.20 3.68 0.01 0.51 -1.57 114.94 122.50 2q7y s ASN 24 Ca -0.02 -0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.09 2q7y s ASN 24 Cb -0.14 -1.24 0.05 0.00 0.41 0.00 0.00 41.25 40.34 2q7y s ASN 24 CO 0.03 0.30 -0.03 0.00 -1.51 0.00 0.00 177.10 175.88 2q7y s TYR 26 N 1.60 3.12 -0.19 0.00 5.04 0.04 -0.87 117.35 126.08 2q7y s TYR 26 Ca -0.02 -0.88 -0.03 0.00 -2.44 0.00 0.00 57.07 53.70 2q7y s TYR 26 Cb -0.17 -2.23 -0.01 0.00 0.35 0.00 0.00 41.96 39.90 2q7y s TYR 26 CO -0.07 -0.54 -0.07 0.08 -1.34 0.00 0.00 175.55 173.62 2q7y s VAL 27 N 1.52 3.33 0.23 3.14 1.01 -0.64 -1.54 120.40 127.45 2q7y s VAL 27 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2q7y s VAL 27 Cb -0.16 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2q7y s VAL 27 CO 0.02 0.46 0.11 0.42 0.00 0.00 0.00 175.10 176.11 2q7y s THR 28 N 1.08 0.29 -1.57 3.92 -4.23 -0.38 -1.32 115.64 113.44 2q7y s THR 28 Ca 0.01 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2q7y s THR 28 Cb -0.15 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.12 2q7y s THR 28 CO -0.01 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.08 2q7y n GLN 29 N -0.38 -1.53 -4.18 3.99 1.13 -0.72 -0.70 117.38 115.00 2q7y n GLN 29 Ca 0.01 0.89 -0.25 0.00 -1.94 0.00 0.00 57.00 55.71 2q7y n GLN 29 Cb 0.66 -5.41 -0.07 0.00 0.11 0.00 0.00 30.24 25.54 2q7y n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2q7y s PHE 30 N -2.92 2.93 -0.28 1.08 -0.71 -1.17 -4.01 117.98 112.91 2q7y s PHE 30 Ca 0.01 -0.12 -0.20 0.00 -1.04 0.00 0.00 56.93 55.57 2q7y s PHE 30 Cb -0.00 -1.38 0.11 0.00 -1.21 0.00 0.00 43.02 40.54 2q7y s PHE 30 CO 0.01 0.54 0.88 -1.58 -1.34 0.00 0.00 175.22 173.72 2q7y s HIS 31 N -1.92 -0.71 1.16 3.49 2.46 -0.96 -1.42 115.29 117.40 2q7y s HIS 31 Ca 0.30 1.53 -0.15 0.00 0.47 0.00 0.00 55.06 57.21 2q7y s HIS 31 Cb -0.09 0.41 0.27 0.00 -0.13 0.00 0.00 32.58 33.04 2q7y s HIS 31 CO 0.21 -0.35 1.05 -1.25 -2.47 0.00 0.00 174.74 171.93 2q7y s PRO 32 N 0.94 -0.88 0.43 2.88 0.04 -1.26 -0.94 135.00 136.21 2q7y s PRO 32 Ca -0.04 0.47 0.20 0.00 0.04 0.00 0.00 61.00 61.67 2q7y s PRO 32 Cb -0.05 -1.59 1.00 0.00 0.04 0.00 0.00 34.50 33.90 2q7y s PRO 32 CO -0.11 -3.60 1.90 -1.00 0.04 0.00 0.00 177.00 174.23 2q7y h PRO 33 N -2.52 0.00 -6.38 0.56 0.13 -2.00 -3.44 132.00 118.35 2q7y h PRO 33 Ca -0.55 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.05 2q7y h PRO 33 Cb 1.33 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.48 2q7y h PRO 33 CO 0.48 0.26 1.21 -1.58 -0.23 0.00 0.00 178.00 178.14 2q7y s HIS 34 N -4.06 1.44 0.03 1.56 2.46 -1.26 -4.94 115.29 110.52 2q7y s HIS 34 Ca -0.02 -0.38 -0.11 0.00 0.47 0.00 0.00 55.06 55.02 2q7y s HIS 34 Cb 0.13 -4.23 0.01 0.00 -0.13 0.00 0.00 32.58 28.36 2q7y s HIS 34 CO 0.66 -5.43 0.23 -1.50 -2.47 0.00 0.00 174.74 166.22 2q7y s ILE 35 N 4.16 0.10 -0.12 0.89 2.07 -1.26 -4.60 121.20 122.43 2q7y s ILE 35 Ca 0.87 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 2q7y s ILE 35 Cb -0.43 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.31 2q7y s ILE 35 CO 0.40 -0.44 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.17 2q7y s GLU 36 N -2.41 1.98 -0.09 3.50 2.12 -0.49 -5.01 118.70 118.30 2q7y s GLU 36 Ca -0.06 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 54.84 2q7y s GLU 36 Cb -0.02 -1.82 0.01 0.00 0.26 0.00 0.00 34.13 32.56 2q7y s GLU 36 CO -0.03 -0.17 -0.18 0.42 -0.54 0.00 0.00 175.26 174.76 2q7y s ILE 37 N 1.33 1.65 0.14 -3.70 1.01 -1.26 -0.79 121.20 119.57 2q7y s ILE 37 Ca -0.00 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.97 2q7y s ILE 37 Cb -0.14 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2q7y s ILE 37 CO -0.06 0.47 -0.22 -1.10 0.00 0.00 0.00 174.94 174.03 2q7y s GLN 38 N 0.61 1.27 -0.05 2.79 -0.21 0.63 -4.98 119.66 119.72 2q7y s GLN 38 Ca -0.14 -1.31 0.04 0.00 0.02 0.00 0.00 55.36 53.97 2q7y s GLN 38 Cb -0.16 -1.52 -0.02 0.00 1.00 0.00 0.00 33.01 32.30 2q7y s GLN 38 CO 0.04 0.34 -0.16 -1.64 -2.12 0.00 0.00 175.29 171.75 2q7y s MET 39 N -2.29 2.48 -0.03 2.91 -1.94 -1.26 -0.26 119.30 118.90 2q7y s MET 39 Ca 0.12 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.45 2q7y s MET 39 Cb -0.08 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 2q7y s MET 39 CO 0.06 0.60 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.91 2q7y s LEU 40 N -0.67 2.05 -0.18 -0.03 1.43 0.15 -1.13 118.68 120.29 2q7y s LEU 40 Ca 0.10 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2q7y s LEU 40 Cb -0.11 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 2q7y s LEU 40 CO 0.00 0.29 -0.11 -0.75 0.23 0.00 0.00 176.35 176.02 2q7y s LYS 41 N -0.47 3.29 -1.61 1.70 2.20 0.24 -1.27 119.74 123.83 2q7y s LYS 41 Ca 0.06 -0.69 -0.14 0.00 -0.36 0.00 0.00 55.97 54.84 2q7y s LYS 41 Cb -0.11 -2.78 0.11 0.00 -1.51 0.00 0.00 37.83 33.54 2q7y s LYS 41 CO 0.00 -0.06 0.77 0.09 -0.36 0.00 0.00 175.35 175.79 2q7y n ASN 42 N 4.33 -3.13 0.00 1.43 3.02 0.75 -1.14 115.26 120.52 2q7y n ASN 42 Ca -0.19 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 2q7y n ASN 42 Cb 0.51 -3.09 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 2q7y n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q7y n GLY 43 N -1.57 0.89 3.61 7.41 0.00 -1.26 -5.00 105.19 109.27 2q7y n GLY 43 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2q7y n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q7y s LYS 44 N -0.21 3.21 0.14 1.61 1.02 -0.29 -5.00 119.74 120.21 2q7y s LYS 44 Ca 0.00 -0.46 -0.34 0.00 0.02 0.00 0.00 55.97 55.19 2q7y s LYS 44 Cb 0.00 -2.82 -0.13 0.00 -0.52 0.00 0.00 37.83 34.35 2q7y s LYS 44 CO 0.00 0.54 1.62 1.17 -0.92 0.00 0.00 175.35 177.76 2q7y n LYS 45 N 2.65 2.22 -2.98 1.68 4.81 -1.26 -0.59 118.16 124.69 2q7y n LYS 45 Ca -0.18 0.80 -0.41 0.00 -0.87 0.00 0.00 58.31 57.65 2q7y n LYS 45 Cb 0.53 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.95 2q7y n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2q7y s ILE 46 N 1.26 4.95 -0.02 3.15 1.01 -0.29 -4.85 121.20 126.41 2q7y s ILE 46 Ca 0.80 1.49 0.26 0.00 0.00 0.00 0.00 60.65 63.20 2q7y s ILE 46 Cb -0.66 -4.07 0.30 0.00 0.01 0.00 0.00 42.46 38.03 2q7y s ILE 46 CO 0.39 0.09 1.81 1.55 0.00 0.00 0.00 174.94 178.77 2q7y h PRO 47 N 7.26 0.00 0.00 2.79 0.14 -1.93 -3.36 132.00 136.91 2q7y h PRO 47 Ca -0.32 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 65.79 2q7y h PRO 47 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.28 2q7y h PRO 47 CO 0.80 0.12 -0.14 0.87 0.14 0.00 0.00 178.00 179.80 2q7y h LYS 48 N 0.00 0.00 -6.12 0.86 1.79 -1.97 -3.48 116.57 107.65 2q7y h LYS 48 Ca -0.00 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.74 2q7y h LYS 48 Cb 0.77 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.42 2q7y h LYS 48 CO 0.02 0.14 1.02 0.28 -1.08 0.00 0.00 179.45 179.82 2q7y n VAL 49 N -3.72 0.28 -3.47 0.50 0.31 -1.26 -4.98 118.33 105.99 2q7y n VAL 49 Ca -0.02 -0.09 -0.36 0.00 -0.01 0.00 0.00 64.34 63.87 2q7y n VAL 49 Cb 0.25 -1.28 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 2q7y n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2q7y s GLU 50 N 4.15 3.89 -0.04 5.55 0.41 -0.16 -4.92 118.70 127.58 2q7y s GLU 50 Ca 1.01 0.36 0.04 0.00 -0.41 0.00 0.00 54.97 55.97 2q7y s GLU 50 Cb -1.05 -3.05 -0.00 0.00 -1.78 0.00 0.00 34.13 28.25 2q7y s GLU 50 CO 0.63 0.57 -0.16 1.41 -0.49 0.00 0.00 175.26 177.22 2q7y s MET 51 N -1.68 1.65 0.92 1.61 1.75 -1.26 -0.65 119.30 121.64 2q7y s MET 51 Ca 0.32 -0.55 -0.14 0.00 -1.25 0.00 0.00 55.69 54.07 2q7y s MET 51 Cb -0.15 -1.44 0.15 0.00 2.84 0.00 0.00 34.83 36.23 2q7y s MET 51 CO 0.17 0.22 1.19 -1.54 -0.65 0.00 0.00 175.02 174.41 2q7y s SER 52 N 0.08 3.43 0.40 1.11 1.04 0.30 -5.01 113.70 115.06 2q7y s SER 52 Ca -0.04 0.71 -0.26 0.00 0.48 0.00 0.00 55.95 56.84 2q7y s SER 52 Cb -0.11 -1.10 -0.09 0.00 0.10 0.00 0.00 66.02 64.83 2q7y s SER 52 CO 0.02 -2.58 1.27 -1.81 0.98 0.00 0.00 173.24 171.12 2q7y s ASP 53 N -4.38 6.37 0.41 7.02 1.01 -1.26 -4.71 116.67 121.13 2q7y s ASP 53 Ca 0.67 2.58 -0.25 0.00 0.71 0.00 0.00 52.55 56.26 2q7y s ASP 53 Cb -0.11 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 2q7y s ASP 53 CO 0.52 -0.80 1.13 -0.32 0.21 0.00 0.00 175.17 175.90 2q7y s MET 54 N -2.24 4.06 0.25 8.23 1.75 -1.26 -4.73 119.30 125.35 2q7y s MET 54 Ca 0.57 1.71 0.05 0.00 -1.25 0.00 0.00 55.69 56.78 2q7y s MET 54 Cb -0.36 -2.60 -0.02 0.00 2.84 0.00 0.00 34.83 34.69 2q7y s MET 54 CO 0.46 -0.28 0.20 0.45 -0.65 0.00 0.00 175.02 175.20 2q7y n SER 55 N -0.04 -0.34 -4.00 1.11 2.88 -0.85 -5.01 113.62 107.36 2q7y n SER 55 Ca 0.05 -2.64 -0.08 0.00 -1.33 0.00 0.00 58.87 54.87 2q7y n SER 55 Cb 0.48 1.20 -0.09 0.00 -0.75 0.00 0.00 64.21 65.04 2q7y n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2q7y s PHE 56 N -2.98 0.36 0.63 0.66 -0.12 -1.26 -1.51 117.98 113.77 2q7y s PHE 56 Ca 0.28 -0.82 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 2q7y s PHE 56 Cb 0.01 -0.26 0.08 0.00 -0.63 0.00 0.00 43.02 42.23 2q7y s PHE 56 CO 0.20 -0.40 0.88 -1.12 -0.05 0.00 0.00 175.22 174.73 2q7y s SER 57 N -2.66 4.82 0.39 1.98 0.01 0.01 -4.93 113.70 113.32 2q7y s SER 57 Ca 0.03 -0.29 0.17 0.00 1.31 0.00 0.00 55.95 57.17 2q7y s SER 57 Cb 0.04 -0.31 1.07 0.00 0.21 0.00 0.00 66.02 67.03 2q7y s SER 57 CO -0.09 -1.50 1.78 0.11 0.41 0.00 0.00 173.24 173.96 2q7y h LYS 58 N -0.19 0.41 -0.14 12.44 1.57 -2.03 0.17 116.57 128.80 2q7y h LYS 58 Ca -0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2q7y h LYS 58 Cb 1.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2q7y h LYS 58 CO 0.45 0.27 0.00 -0.40 -0.57 0.00 0.00 179.45 179.20 2q7y n ASP 59 N -4.62 0.63 0.00 0.86 5.68 -1.26 -4.89 116.55 112.95 2q7y n ASP 59 Ca 0.24 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 2q7y n ASP 59 Cb 0.83 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 2q7y n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2q7y n TRP 60 N -0.17 0.00 -2.60 2.11 7.02 0.58 -5.01 117.44 119.36 2q7y n TRP 60 Ca 0.04 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.16 2q7y n TRP 60 Cb 0.10 -0.22 -0.05 0.00 -2.42 0.00 0.00 31.31 28.73 2q7y n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2q7y s SER 61 N -3.22 6.76 0.43 -0.99 1.04 -1.26 -4.66 113.70 111.80 2q7y s SER 61 Ca 0.00 1.95 -0.11 0.00 0.48 0.00 0.00 55.95 58.27 2q7y s SER 61 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 2q7y s SER 61 CO 0.00 -0.49 0.81 -0.36 0.98 0.00 0.00 173.24 174.18 2q7y s PHE 62 N -1.78 3.48 0.06 5.02 0.40 -0.51 -0.81 117.98 123.84 2q7y s PHE 62 Ca 0.59 1.10 -0.11 0.00 -0.60 0.00 0.00 56.93 57.91 2q7y s PHE 62 Cb -0.19 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 40.86 2q7y s PHE 62 CO 0.24 -0.17 0.24 1.52 0.70 0.00 0.00 175.22 177.75 2q7y s TYR 63 N -2.45 0.02 -0.03 0.36 -0.85 -0.57 -1.75 117.35 112.07 2q7y s TYR 63 Ca 0.52 -0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 56.49 2q7y s TYR 63 Cb -0.10 0.02 0.07 0.00 0.38 0.00 0.00 41.96 42.33 2q7y s TYR 63 CO 0.33 -0.51 0.68 -1.50 -1.52 0.00 0.00 175.55 173.03 2q7y s ILE 64 N -3.06 0.00 -0.10 -3.49 2.07 -0.43 -2.02 121.20 114.17 2q7y s ILE 64 Ca -0.01 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 2q7y s ILE 64 Cb 0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2q7y s ILE 64 CO -0.07 0.00 -0.20 -0.22 -1.91 0.00 0.00 174.94 172.55 2q7y s LEU 65 N -1.36 1.94 0.04 8.50 2.96 -1.26 -1.62 118.68 127.88 2q7y s LEU 65 Ca -0.10 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2q7y s LEU 65 Cb -0.00 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 2q7y s LEU 65 CO 0.07 0.09 -0.10 0.00 -1.32 0.00 0.00 176.35 175.10 2q7y s ALA 66 N 0.62 2.92 0.03 5.97 0.00 -0.05 -0.54 121.76 130.72 2q7y s ALA 66 Ca -0.13 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 2q7y s ALA 66 Cb -0.16 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.00 2q7y s ALA 66 CO 0.04 0.62 0.41 -3.38 0.00 0.00 0.00 175.76 173.45 2q7y s HIS 67 N -1.05 -0.28 0.01 0.00 -3.43 0.17 -0.58 115.29 110.13 2q7y s HIS 67 Ca 0.18 0.29 -0.17 0.00 -0.80 0.00 0.00 55.06 54.56 2q7y s HIS 67 Cb -0.11 0.21 0.03 0.00 -1.43 0.00 0.00 32.58 31.28 2q7y s HIS 67 CO 0.09 -0.55 0.38 -0.08 -2.00 0.00 0.00 174.74 172.58 2q7y s THR 68 N -2.23 0.06 0.44 -5.38 -1.32 -0.61 -0.99 115.64 105.60 2q7y s THR 68 Ca -0.07 -0.46 -0.25 0.00 -1.21 0.00 0.00 61.69 59.70 2q7y s THR 68 Cb -0.01 -0.83 -0.08 0.00 -1.51 0.00 0.00 72.50 70.07 2q7y s THR 68 CO -0.01 -0.26 1.28 -1.61 -2.21 0.00 0.00 174.62 171.82 2q7y s GLU 69 N -1.93 3.79 0.09 7.08 2.02 -1.26 -0.50 118.70 127.99 2q7y s GLU 69 Ca -0.09 2.09 -0.19 0.00 0.02 0.00 0.00 54.97 56.79 2q7y s GLU 69 Cb -0.02 -2.60 0.05 0.00 0.10 0.00 0.00 34.13 31.65 2q7y s GLU 69 CO 0.01 -0.62 0.47 -0.59 0.02 0.00 0.00 175.26 174.55 2q7y s PHE 70 N -1.33 -0.33 -0.26 1.61 -0.71 -0.66 -4.82 117.98 111.49 2q7y s PHE 70 Ca 0.61 0.19 0.01 0.00 -1.04 0.00 0.00 56.93 56.69 2q7y s PHE 70 Cb -0.36 0.32 0.07 0.00 -1.21 0.00 0.00 43.02 41.84 2q7y s PHE 70 CO 0.46 -0.68 -0.01 0.99 -1.34 0.00 0.00 175.22 174.63 2q7y s THR 71 N -3.14 1.54 0.49 -4.49 2.01 -1.26 0.07 115.64 110.85 2q7y s THR 71 Ca -0.01 -1.41 -0.22 0.00 0.31 0.00 0.00 61.69 60.36 2q7y s THR 71 Cb 0.00 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.54 2q7y s THR 71 CO -0.07 -0.26 1.18 -2.16 -0.69 0.00 0.00 174.62 172.61 2q7y s PRO 72 N 1.36 3.60 0.26 4.92 0.04 -1.26 -4.81 135.00 139.10 2q7y s PRO 72 Ca -0.01 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 2q7y s PRO 72 Cb -0.19 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 2q7y s PRO 72 CO -0.09 -0.68 0.38 0.95 0.04 0.00 0.00 177.00 177.59 2q7y s THR 73 N -1.57 0.00 -0.44 1.26 -4.23 -1.26 -0.80 115.64 108.59 2q7y s THR 73 Ca 0.66 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 2q7y s THR 73 Cb -0.29 -2.38 0.60 0.00 1.34 0.00 0.00 72.50 71.77 2q7y s THR 73 CO 0.34 0.00 1.81 -0.62 -0.54 0.00 0.00 174.62 175.61 2q7y n GLU 74 N -0.39 2.26 0.00 3.99 -0.58 -1.26 -3.94 120.64 120.71 2q7y n GLU 74 Ca 0.00 -3.13 0.00 0.00 -0.42 0.00 0.00 57.16 53.61 2q7y n GLU 74 Cb 0.63 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 2q7y n GLU 74 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2q7y n THR 75 N -1.10 0.13 -4.92 2.62 -2.24 -1.26 -5.06 114.28 102.45 2q7y n THR 75 Ca 0.54 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 2q7y n THR 75 Cb 1.37 1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 70.64 2q7y n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2q7y s ASP 76 N -0.13 2.26 0.10 3.42 1.01 -1.25 -5.04 116.67 117.04 2q7y s ASP 76 Ca 0.00 -0.36 0.04 0.00 0.71 0.00 0.00 52.55 52.94 2q7y s ASP 76 Cb 0.00 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 2q7y s ASP 76 CO 0.00 0.21 0.10 0.42 0.21 0.00 0.00 175.17 176.11 2q7y s THR 77 N -0.28 4.53 0.02 -1.27 -4.23 -1.26 -4.74 115.64 108.41 2q7y s THR 77 Ca 0.03 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 2q7y s THR 77 Cb -0.09 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2q7y s THR 77 CO 0.00 0.06 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.75 2q7y s TYR 78 N -1.50 0.70 0.19 3.99 1.51 -1.26 -0.18 117.35 120.81 2q7y s TYR 78 Ca 0.30 -0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 2q7y s TYR 78 Cb -0.12 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.33 2q7y s TYR 78 CO 0.22 -0.03 0.47 0.00 -1.11 0.00 0.00 175.55 175.11 2q7y s ALA 79 N -0.79 -0.70 -0.08 3.71 0.00 -0.40 -0.61 121.76 122.90 2q7y s ALA 79 Ca -0.03 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2q7y s ALA 79 Cb -0.06 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2q7y s ALA 79 CO 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 175.76 174.78 2q7y s ARG 81 N 0.30 2.60 -0.07 0.00 3.52 0.64 -1.09 118.95 124.85 2q7y s ARG 81 Ca -0.13 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.60 2q7y s ARG 81 Cb -0.16 -2.15 0.02 0.00 -1.56 0.00 0.00 34.95 31.10 2q7y s ARG 81 CO 0.06 0.33 -0.09 0.08 -0.81 0.00 0.00 175.30 174.86 2q7y s VAL 82 N -0.04 0.95 -0.16 7.11 1.01 0.56 -0.27 120.40 129.56 2q7y s VAL 82 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2q7y s VAL 82 Cb -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2q7y s VAL 82 CO 0.05 0.32 -0.07 -0.75 0.00 0.00 0.00 175.10 174.65 2q7y s LYS 83 N 0.88 3.52 -0.07 2.72 2.20 0.03 -0.44 119.74 128.56 2q7y s LYS 83 Ca -0.11 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 54.74 2q7y s LYS 83 Cb -0.15 -2.85 0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2q7y s LYS 83 CO 0.01 0.13 0.39 -1.58 -0.36 0.00 0.00 175.35 173.95 2q7y s HIS 84 N 0.62 -0.34 0.62 4.03 2.46 -1.26 -1.40 115.29 120.01 2q7y s HIS 84 Ca -0.04 0.70 0.36 0.00 0.47 0.00 0.00 55.06 56.54 2q7y s HIS 84 Cb -0.15 0.16 2.07 0.00 -0.13 0.00 0.00 32.58 34.52 2q7y s HIS 84 CO 0.03 -0.35 2.29 0.00 -2.47 0.00 0.00 174.74 174.24 2q7y h ALA 85 N 4.41 1.32 0.00 1.58 0.00 -1.95 -1.14 119.26 123.48 2q7y h ALA 85 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2q7y h ALA 85 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2q7y h ALA 85 CO 0.34 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2q7y n SER 86 N -3.52 0.00 -4.12 0.00 3.41 -1.26 -4.73 113.62 103.40 2q7y n SER 86 Ca -0.03 0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 58.65 2q7y n SER 86 Cb 0.09 -0.42 -0.16 0.00 -0.26 0.00 0.00 64.21 63.46 2q7y n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2q7y s MET 87 N -2.83 1.95 0.28 4.33 1.00 -0.43 -4.93 119.30 118.66 2q7y s MET 87 Ca 0.10 -0.61 0.01 0.00 0.00 0.00 0.00 55.69 55.19 2q7y s MET 87 Cb 0.10 -1.63 0.40 0.00 0.00 0.00 0.00 34.83 33.70 2q7y s MET 87 CO 0.25 0.19 1.75 0.00 0.00 0.00 0.00 175.02 177.21 2q7y h ALA 88 N 6.47 1.13 -2.27 3.03 0.00 -1.85 -3.43 119.26 122.34 2q7y h ALA 88 Ca -0.30 -0.30 -0.41 0.00 0.00 0.00 0.00 54.91 53.90 2q7y h ALA 88 Cb 1.19 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 2q7y h ALA 88 CO 0.48 0.55 -0.73 -1.21 0.00 0.00 0.00 179.25 178.33 2q7y s GLU 89 N -4.72 1.23 0.66 0.00 2.02 -1.26 -5.14 118.70 111.48 2q7y s GLU 89 Ca -0.08 -1.52 -0.16 0.00 0.02 0.00 0.00 54.97 53.23 2q7y s GLU 89 Cb 0.14 -0.95 -0.00 0.00 0.10 0.00 0.00 34.13 33.42 2q7y s GLU 89 CO 0.80 0.15 1.16 -2.14 0.02 0.00 0.00 175.26 175.24 2q7y s PRO 90 N -3.61 2.69 -0.15 0.39 0.02 -1.26 -4.90 135.00 128.18 2q7y s PRO 90 Ca 0.20 1.60 -0.03 0.00 0.02 0.00 0.00 61.00 62.79 2q7y s PRO 90 Cb -0.00 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 2q7y s PRO 90 CO 0.05 -1.38 -0.06 0.21 -0.33 0.00 0.00 177.00 175.49 2q7y s LYS 91 N -3.82 3.60 -0.11 5.54 2.20 0.41 -4.91 119.74 122.65 2q7y s LYS 91 Ca 0.72 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 2q7y s LYS 91 Cb -0.25 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 2q7y s LYS 91 CO 0.39 0.22 -0.19 0.99 -0.36 0.00 0.00 175.35 176.41 2q7y s THR 92 N 0.40 2.54 -0.08 3.43 2.01 -1.26 -0.32 115.64 122.35 2q7y s THR 92 Ca -0.05 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.13 2q7y s THR 92 Cb -0.15 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.35 2q7y s THR 92 CO 0.03 0.55 -0.20 0.68 -0.69 0.00 0.00 174.62 174.99 2q7y s VAL 93 N 0.28 1.73 0.17 3.82 -7.23 -0.25 -4.97 120.40 113.96 2q7y s VAL 93 Ca -0.14 -0.84 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 2q7y s VAL 93 Cb -0.17 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.18 2q7y s VAL 93 CO 0.07 0.49 0.71 -0.31 -0.31 0.00 0.00 175.10 175.75 2q7y s TYR 94 N 0.37 3.78 0.09 2.82 1.51 -1.26 -1.11 117.35 123.54 2q7y s TYR 94 Ca -0.15 1.46 -0.31 0.00 -1.01 0.00 0.00 57.07 57.06 2q7y s TYR 94 Cb -0.16 -2.65 -0.08 0.00 -0.11 0.00 0.00 41.96 38.95 2q7y s TYR 94 CO 0.06 0.45 1.60 -0.46 -1.11 0.00 0.00 175.55 176.09 2q7y s TRP 95 N -1.30 2.66 -2.12 2.71 -0.00 0.22 -4.88 118.94 116.23 2q7y s TRP 95 Ca 0.38 0.47 0.20 0.00 -0.00 0.00 0.00 56.10 57.14 2q7y s TRP 95 Cb -0.20 -3.91 0.97 0.00 -0.00 0.00 0.00 33.47 30.33 2q7y s TRP 95 CO 0.23 -3.56 1.65 -3.47 -0.00 0.00 0.00 176.95 171.80 2q7y n ASP 96 N 5.09 0.69 0.00 5.86 -0.08 -1.26 -4.73 116.55 122.11 2q7y n ASP 96 Ca 0.15 -1.54 0.00 0.00 -1.51 0.00 0.00 54.79 51.89 2q7y n ASP 96 Cb 0.40 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.82 2q7y n ASP 96 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2q7y n ARG 97 N -0.33 0.00 -0.06 -0.67 1.74 -1.26 -4.73 116.66 111.35 2q7y n ARG 97 Ca 0.15 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.01 2q7y n ARG 97 Cb 0.17 -1.01 -0.12 0.00 -1.02 0.00 0.00 32.46 30.48 2q7y n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2q7y n ASP 98 N 0.00 1.97 0.00 0.55 9.92 -1.26 -4.89 116.55 122.83 2q7y n ASP 98 Ca 0.00 0.33 0.06 0.00 -0.53 0.00 0.00 54.79 54.65 2q7y n ASP 98 Cb 0.00 -0.92 0.33 0.00 -0.64 0.00 0.00 41.12 39.89 2q7y n ASP 98 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13