#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcp h GLU 10 N 0.00 -0.06 0.00 2.12 4.57 -2.11 -1.90 114.58 117.20 2qcp h GLU 10 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qcp h GLU 10 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2qcp h GLU 10 CO 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 179.01 177.79 2qcp n ALA 11 N -2.57 2.14 -1.96 2.92 0.00 -1.26 -4.84 120.51 114.94 2qcp n ALA 11 Ca -0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2qcp n ALA 11 Cb 0.19 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 2qcp n ALA 11 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qcp s GLN 12 N -3.02 4.60 0.74 0.00 -0.21 -0.72 -5.00 119.66 116.05 2qcp s GLN 12 Ca 0.12 1.76 -0.15 0.00 0.02 0.00 0.00 55.36 57.11 2qcp s GLN 12 Cb 0.16 -3.25 0.04 0.00 1.00 0.00 0.00 33.01 30.96 2qcp s GLN 12 CO 0.47 0.10 1.20 -2.14 -2.12 0.00 0.00 175.29 172.80 2qcp s PRO 13 N -0.69 2.11 0.57 2.91 0.02 -1.26 -4.90 135.00 133.76 2qcp s PRO 13 Ca 0.48 1.74 -0.15 0.00 0.02 0.00 0.00 61.00 63.09 2qcp s PRO 13 Cb -0.31 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 2qcp s PRO 13 CO 0.37 -1.85 1.02 -0.65 -0.33 0.00 0.00 177.00 175.56 2qcp s GLN 14 N -3.95 3.60 -0.20 5.54 -0.21 -1.26 -4.94 119.66 118.24 2qcp s GLN 14 Ca 0.74 1.02 -0.22 0.00 0.02 0.00 0.00 55.36 56.92 2qcp s GLN 14 Cb -0.29 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 2qcp s GLN 14 CO 0.46 -0.56 0.67 0.08 -2.12 0.00 0.00 175.29 173.82 2qcp s VAL 15 N -2.67 4.98 -0.18 1.09 1.01 -1.26 -4.55 120.40 118.82 2qcp s VAL 15 Ca 0.60 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.80 2qcp s VAL 15 Cb -0.12 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2qcp s VAL 15 CO 0.38 0.08 0.02 -0.63 0.00 0.00 0.00 175.10 174.95 2qcp s ILE 16 N 2.05 4.39 -0.04 2.22 -1.09 0.39 -4.93 121.20 124.19 2qcp s ILE 16 Ca 0.30 -0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.50 2qcp s ILE 16 Cb -0.16 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2qcp s ILE 16 CO 0.10 0.46 0.18 -0.55 -1.23 0.00 0.00 174.94 173.91 2qcp s SER 17 N 0.47 6.39 0.27 3.58 0.15 -1.26 -0.81 113.70 122.49 2qcp s SER 17 Ca 0.00 0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.90 2qcp s SER 17 Cb -0.13 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 2qcp s SER 17 CO 0.02 0.31 0.61 0.00 1.20 0.00 0.00 173.24 175.37 2qcp s ALA 18 N -1.22 -0.75 0.04 5.45 0.00 -0.02 -4.98 121.76 120.28 2qcp s ALA 18 Ca 0.23 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2qcp s ALA 18 Cb -0.12 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2qcp s ALA 18 CO 0.14 -0.95 -0.12 0.99 0.00 0.00 0.00 175.76 175.82 2qcp s THR 19 N -3.94 0.91 0.00 0.00 2.01 -1.26 -1.20 115.64 112.16 2qcp s THR 19 Ca 0.17 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2qcp s THR 19 Cb -0.03 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2qcp s THR 19 CO 0.08 -0.08 0.07 0.61 -0.69 0.00 0.00 174.62 174.62 2qcp n GLY 20 N 1.89 0.88 3.30 4.40 0.00 -0.38 -1.11 105.19 114.17 2qcp n GLY 20 Ca -0.19 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2qcp n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qcp s VAL 21 N -2.31 2.29 -0.18 1.61 1.01 0.03 -0.37 120.40 122.48 2qcp s VAL 21 Ca 0.02 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2qcp s VAL 21 Cb -0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2qcp s VAL 21 CO 0.00 0.57 1.24 -0.69 0.00 0.00 0.00 175.10 176.21 2qcp s VAL 22 N -0.14 4.33 -0.10 2.92 1.01 0.21 -0.91 120.40 127.71 2qcp s VAL 22 Ca -0.04 1.60 0.15 0.00 0.00 0.00 0.00 61.98 63.70 2qcp s VAL 22 Cb -0.14 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 2qcp s VAL 22 CO 0.04 -0.16 0.93 0.11 0.00 0.00 0.00 175.10 176.02 2qcp h LYS 23 N 8.16 0.00 -1.64 2.72 1.79 -1.04 0.48 116.57 127.03 2qcp h LYS 23 Ca -0.25 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.41 2qcp h LYS 23 Cb 1.10 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.55 2qcp h LYS 23 CO 0.97 0.38 0.71 0.20 -1.08 0.00 0.00 179.45 180.64 2qcp s GLY 24 N -4.77 -0.30 -0.14 3.86 0.00 -1.18 -4.81 107.32 99.98 2qcp s GLY 24 Ca -0.02 1.62 -0.16 0.00 0.00 0.00 0.00 44.72 46.16 2qcp s GLY 24 CO 0.80 0.60 0.43 -0.26 0.00 0.00 0.00 173.10 174.67 2qcp s ILE 25 N -2.31 0.01 -0.33 0.90 -4.36 -1.26 -1.14 121.20 112.71 2qcp s ILE 25 Ca 0.07 -0.06 -0.02 0.00 -0.26 0.00 0.00 60.65 60.38 2qcp s ILE 25 Cb -0.01 -0.62 0.12 0.00 1.25 0.00 0.00 42.46 43.20 2qcp s ILE 25 CO -0.05 -0.03 0.17 -0.62 0.24 0.00 0.00 174.94 174.65 2qcp s ASP 26 N -0.03 3.30 0.42 4.36 -1.08 0.16 -4.99 116.67 118.81 2qcp s ASP 26 Ca -0.02 -1.79 0.11 0.00 -0.52 0.00 0.00 52.55 50.33 2qcp s ASP 26 Cb -0.03 -0.43 0.91 0.00 -1.46 0.00 0.00 42.92 41.90 2qcp s ASP 26 CO 0.01 -0.37 1.98 -0.07 0.52 0.00 0.00 175.17 177.25 2qcp h LEU 27 N 7.66 0.18 -0.49 -1.34 3.38 -1.95 -0.39 115.31 122.35 2qcp h LEU 27 Ca -0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qcp h LEU 27 Cb 0.99 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2qcp h LEU 27 CO 0.36 0.28 0.21 -0.08 0.09 0.00 0.00 178.44 179.30 2qcp h GLU 28 N 0.19 0.73 -0.06 1.13 4.81 -1.94 -2.77 114.58 116.66 2qcp h GLU 28 Ca 0.04 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2qcp h GLU 28 Cb 0.25 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2qcp h GLU 28 CO 0.01 0.64 0.00 0.43 -0.73 0.00 0.00 179.01 179.37 2qcp n SER 29 N -4.57 2.46 -1.31 1.04 7.64 -1.15 -4.96 113.62 112.76 2qcp n SER 29 Ca 0.02 -1.81 -0.11 0.00 1.01 0.00 0.00 58.87 57.97 2qcp n SER 29 Cb 0.15 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2qcp n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qcp n LYS 30 N 0.91 -1.22 -4.60 1.43 4.76 -0.28 -4.97 118.16 114.19 2qcp n LYS 30 Ca 0.16 0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 55.77 2qcp n LYS 30 Cb 0.50 -4.55 -0.12 0.00 -1.84 0.00 0.00 35.03 29.02 2qcp n LYS 30 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qcp s LYS 31 N -4.66 3.24 -0.06 1.97 1.02 -0.48 -1.03 119.74 119.74 2qcp s LYS 31 Ca 0.04 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2qcp s LYS 31 Cb -0.02 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2qcp s LYS 31 CO 0.04 0.39 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.34 2qcp s ILE 32 N -0.08 0.51 -0.22 2.17 2.07 -0.70 -0.67 121.20 124.29 2qcp s ILE 32 Ca 0.00 -0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.07 2qcp s ILE 32 Cb -0.13 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 2qcp s ILE 32 CO 0.03 0.24 0.24 -0.89 -1.91 0.00 0.00 174.94 172.65 2qcp s THR 33 N 1.27 5.31 -0.08 4.00 2.01 -0.30 -0.61 115.64 127.25 2qcp s THR 33 Ca -0.05 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.33 2qcp s THR 33 Cb -0.14 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.81 2qcp s THR 33 CO -0.02 0.33 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.50 2qcp s ILE 34 N 0.99 1.14 -0.58 1.82 1.01 -0.13 -0.35 121.20 125.10 2qcp s ILE 34 Ca 0.12 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 2qcp s ILE 34 Cb -0.13 -1.07 0.06 0.00 0.01 0.00 0.00 42.46 41.33 2qcp s ILE 34 CO 0.05 0.36 0.85 -2.28 0.00 0.00 0.00 174.94 173.92 2qcp s HIS 35 N 0.92 2.84 0.19 3.97 5.65 -0.09 -1.08 115.29 127.69 2qcp s HIS 35 Ca -0.10 -0.42 0.06 0.00 0.25 0.00 0.00 55.06 54.85 2qcp s HIS 35 Cb -0.15 -4.01 -0.04 0.00 -1.18 0.00 0.00 32.58 27.20 2qcp s HIS 35 CO 0.01 -1.37 0.14 -3.38 -0.65 0.00 0.00 174.74 169.49 2qcp s HIS 36 N 3.54 3.10 0.88 3.88 -0.00 0.40 -0.79 115.29 126.30 2qcp s HIS 36 Ca 0.22 -0.06 -0.11 0.00 -0.00 0.00 0.00 55.06 55.11 2qcp s HIS 36 Cb -0.17 -1.46 0.12 0.00 -0.00 0.00 0.00 32.58 31.07 2qcp s HIS 36 CO 0.13 0.52 1.09 -0.51 -0.00 0.00 0.00 174.74 175.98 2qcp s ASP 37 N -3.32 3.60 0.52 7.38 1.01 -0.27 -2.04 116.67 123.56 2qcp s ASP 37 Ca 0.31 1.51 -0.21 0.00 0.71 0.00 0.00 52.55 54.87 2qcp s ASP 37 Cb -0.09 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 2qcp s ASP 37 CO 0.23 -2.56 0.94 -2.65 0.21 0.00 0.00 175.17 171.35 2qcp n PRO 38 N -3.83 1.07 -3.88 8.23 -0.02 -1.26 -4.51 135.00 130.80 2qcp n PRO 38 Ca 0.07 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 2qcp n PRO 38 Cb 0.55 -2.08 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 2qcp n PRO 38 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qcp s ILE 39 N -1.44 1.44 0.30 4.25 1.01 0.24 -4.92 121.20 122.07 2qcp s ILE 39 Ca 0.70 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2qcp s ILE 39 Cb -0.47 -1.95 0.16 0.00 0.01 0.00 0.00 42.46 40.21 2qcp s ILE 39 CO 0.52 -0.44 1.84 0.00 0.00 0.00 0.00 174.94 176.86 2qcp h ALA 40 N 7.93 1.27 -0.35 9.38 0.00 -1.94 -1.26 119.26 134.28 2qcp h ALA 40 Ca -0.13 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2qcp h ALA 40 Cb 1.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2qcp h ALA 40 CO 0.46 0.51 0.24 0.00 0.00 0.00 0.00 179.25 180.45 2qcp h ALA 41 N 1.40 2.02 -0.11 0.00 0.00 -1.95 -1.99 119.26 118.63 2qcp h ALA 41 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qcp h ALA 41 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qcp h ALA 41 CO 0.00 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.50 2qcp n VAL 42 N -4.48 1.20 -3.65 0.00 0.24 -1.17 -5.00 118.33 105.48 2qcp n VAL 42 Ca 0.04 -1.22 -0.22 0.00 -2.04 0.00 0.00 64.34 60.90 2qcp n VAL 42 Cb 0.25 0.35 0.06 0.00 -1.47 0.00 0.00 33.84 33.03 2qcp n VAL 42 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2qcp n ASN 43 N -0.36 -3.12 -4.65 -1.34 4.05 -0.75 -4.99 115.26 104.10 2qcp n ASN 43 Ca 0.07 -0.70 -0.35 0.00 0.45 0.00 0.00 54.58 54.05 2qcp n ASN 43 Cb 0.39 -4.52 -0.10 0.00 1.23 0.00 0.00 39.78 36.78 2qcp n ASN 43 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2qcp s TRP 44 N -3.45 3.18 0.95 1.20 0.51 -0.53 -5.00 118.94 115.81 2qcp s TRP 44 Ca 0.24 0.10 -0.16 0.00 -2.12 0.00 0.00 56.10 54.16 2qcp s TRP 44 Cb -0.11 -1.89 0.22 0.00 -0.81 0.00 0.00 33.47 30.88 2qcp s TRP 44 CO 0.78 0.33 1.12 -0.35 -0.51 0.00 0.00 176.95 178.32 2qcp n PRO 45 N 2.67 -1.72 -1.65 4.98 -0.04 -1.26 -0.59 135.00 137.38 2qcp n PRO 45 Ca -0.18 -1.75 -0.46 0.00 -0.04 0.00 0.00 63.50 61.07 2qcp n PRO 45 Cb 0.53 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 2qcp n PRO 45 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2qcp n GLU 46 N -3.82 1.89 -3.45 0.54 2.13 -1.26 -4.30 120.64 112.36 2qcp n GLU 46 Ca 0.14 0.67 -0.13 0.00 0.66 0.00 0.00 57.16 58.51 2qcp n GLU 46 Cb 0.52 -2.33 -0.03 0.00 0.27 0.00 0.00 31.44 29.87 2qcp n GLU 46 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2qcp s MET 47 N -0.14 1.18 -0.18 5.31 1.00 -0.87 -4.95 119.30 120.66 2qcp s MET 47 Ca 0.71 -0.30 -0.11 0.00 0.00 0.00 0.00 55.69 56.00 2qcp s MET 47 Cb -0.70 0.55 -0.05 0.00 0.00 0.00 0.00 34.83 34.63 2qcp s MET 47 CO 0.48 -0.49 0.19 0.99 0.00 0.00 0.00 175.02 176.20 2qcp s THR 48 N -3.12 5.37 0.03 2.05 2.01 -1.26 -0.46 115.64 120.27 2qcp s THR 48 Ca -0.01 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.34 2qcp s THR 48 Cb -0.01 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2qcp s THR 48 CO -0.08 0.44 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.91 2qcp s MET 49 N 0.29 0.45 -0.23 4.92 1.75 -0.24 -4.97 119.30 121.26 2qcp s MET 49 Ca 0.12 -0.72 -0.24 0.00 -1.25 0.00 0.00 55.69 53.60 2qcp s MET 49 Cb -0.12 -0.14 -0.01 0.00 2.84 0.00 0.00 34.83 37.40 2qcp s MET 49 CO 0.01 0.01 0.78 1.03 -0.65 0.00 0.00 175.02 176.20 2qcp s ARG 50 N -1.60 4.19 0.21 4.11 0.52 -1.26 -0.96 118.95 124.16 2qcp s ARG 50 Ca -0.12 0.87 0.08 0.00 -0.52 0.00 0.00 55.73 56.05 2qcp s ARG 50 Cb -0.10 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 2qcp s ARG 50 CO -0.00 -0.46 -0.01 -0.06 0.02 0.00 0.00 175.30 174.79 2qcp s PHE 51 N 2.64 2.76 -0.12 -0.53 0.08 0.22 -4.48 117.98 118.54 2qcp s PHE 51 Ca 0.34 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.23 2qcp s PHE 51 Cb -0.15 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2qcp s PHE 51 CO 0.08 0.55 -0.23 0.99 -0.10 0.00 0.00 175.22 176.52 2qcp s THR 52 N -1.95 2.08 0.02 0.64 2.01 0.02 -1.72 115.64 116.75 2qcp s THR 52 Ca 0.29 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 61.05 2qcp s THR 52 Cb -0.08 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2qcp s THR 52 CO 0.19 0.55 0.74 -0.63 -0.69 0.00 0.00 174.62 174.78 2qcp s ILE 53 N 0.62 4.81 0.35 1.82 1.01 -0.20 -0.84 121.20 128.77 2qcp s ILE 53 Ca -0.12 1.56 0.08 0.00 0.00 0.00 0.00 60.65 62.17 2qcp s ILE 53 Cb -0.16 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2qcp s ILE 53 CO 0.03 0.35 0.17 0.42 0.00 0.00 0.00 174.94 175.91 2qcp s THR 54 N 0.10 3.02 0.55 2.92 -4.23 -1.26 -4.86 115.64 111.88 2qcp s THR 54 Ca 0.38 -1.64 0.43 0.00 -1.18 0.00 0.00 61.69 59.67 2qcp s THR 54 Cb -0.20 -3.01 0.44 0.00 1.34 0.00 0.00 72.50 71.08 2qcp s THR 54 CO 0.21 -0.16 2.30 -0.65 -0.54 0.00 0.00 174.62 175.78 2qcp h PRO 55 N 1.48 0.00 -0.01 3.99 0.11 -1.98 -1.81 132.00 133.78 2qcp h PRO 55 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qcp h PRO 55 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qcp h PRO 55 CO 0.63 0.00 -0.60 0.00 -0.21 0.00 0.00 178.00 177.81 2qcp n GLN 56 N -3.08 0.76 -1.67 1.05 0.00 -1.26 -4.95 117.38 108.23 2qcp n GLN 56 Ca -0.02 -0.60 -0.46 0.00 0.00 0.00 0.00 57.00 55.91 2qcp n GLN 56 Cb 0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.83 2qcp n GLN 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2qcp n THR 57 N -0.59 0.13 -2.67 -0.39 -1.04 -0.68 -4.89 114.28 104.15 2qcp n THR 57 Ca 0.08 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 2qcp n THR 57 Cb 0.41 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 2qcp n THR 57 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2qcp s LYS 58 N 1.61 3.34 0.01 -2.82 2.20 -0.14 -4.92 119.74 119.03 2qcp s LYS 58 Ca 0.82 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2qcp s LYS 58 Cb -0.68 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 31.51 2qcp s LYS 58 CO 0.41 -1.77 0.18 -1.64 -0.36 0.00 0.00 175.35 172.17 2qcp s MET 59 N 4.81 3.41 0.52 4.03 -1.94 -1.26 -1.69 119.30 127.18 2qcp s MET 59 Ca 0.35 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 54.01 2qcp s MET 59 Cb -0.10 -3.07 0.01 0.00 2.01 0.00 0.00 34.83 33.68 2qcp s MET 59 CO 0.20 0.66 0.20 -1.12 -0.01 0.00 0.00 175.02 174.94 2qcp s SER 60 N -2.08 4.38 0.02 3.03 0.01 -1.11 -4.99 113.70 112.96 2qcp s SER 60 Ca 0.29 -1.44 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 2qcp s SER 60 Cb -0.13 0.44 -0.08 0.00 0.21 0.00 0.00 66.02 66.46 2qcp s SER 60 CO 0.21 -0.96 1.74 -0.70 0.41 0.00 0.00 173.24 173.94 2qcp s GLU 61 N -4.07 4.17 0.02 12.44 2.56 -1.26 -4.90 118.70 127.66 2qcp s GLU 61 Ca 0.20 2.37 0.02 0.00 0.00 0.00 0.00 54.97 57.56 2qcp s GLU 61 Cb -0.00 -3.88 -0.01 0.00 2.00 0.00 0.00 34.13 32.24 2qcp s GLU 61 CO 0.12 -0.84 -0.06 0.96 -0.56 0.00 0.00 175.26 174.88 2qcp s ILE 62 N 3.59 0.47 0.15 -3.70 -0.00 -1.26 -4.62 121.20 115.84 2qcp s ILE 62 Ca 0.78 -0.62 0.06 0.00 -0.00 0.00 0.00 60.65 60.87 2qcp s ILE 62 Cb -0.39 -0.47 -0.04 0.00 -0.00 0.00 0.00 42.46 41.56 2qcp s ILE 62 CO 0.34 -0.11 -0.14 -0.54 -0.00 0.00 0.00 174.94 174.48 2qcp s LYS 63 N -0.80 1.13 0.16 0.37 1.02 -1.26 -5.05 119.74 115.31 2qcp s LYS 63 Ca -0.04 -1.38 -0.34 0.00 0.02 0.00 0.00 55.97 54.24 2qcp s LYS 63 Cb -0.06 -0.96 -0.15 0.00 -0.52 0.00 0.00 37.83 36.14 2qcp s LYS 63 CO 0.00 0.17 1.35 2.41 -0.92 0.00 0.00 175.35 178.36 2qcp n THR 64 N 0.17 0.45 0.00 2.17 -1.04 -1.26 -1.74 114.28 113.03 2qcp n THR 64 Ca -0.13 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2qcp n THR 64 Cb 0.58 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 2qcp n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qcp n GLY 65 N 2.47 1.52 3.76 3.41 0.00 0.16 -5.02 105.19 111.49 2qcp n GLY 65 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2qcp n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qcp s ASP 66 N -1.62 7.10 0.12 1.61 1.01 -0.71 -4.71 116.67 119.47 2qcp s ASP 66 Ca 0.00 2.22 -0.30 0.00 0.71 0.00 0.00 52.55 55.18 2qcp s ASP 66 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 2qcp s ASP 66 CO 0.00 -0.25 1.02 -0.75 0.21 0.00 0.00 175.17 175.40 2qcp s LYS 67 N -1.74 4.64 0.07 8.23 2.20 -1.26 -0.62 119.74 131.25 2qcp s LYS 67 Ca 0.48 1.55 0.02 0.00 -0.36 0.00 0.00 55.97 57.67 2qcp s LYS 67 Cb -0.30 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 2qcp s LYS 67 CO 0.38 0.12 -0.07 0.14 -0.36 0.00 0.00 175.35 175.56 2qcp s VAL 68 N 0.06 0.61 -0.10 4.02 -7.23 0.50 -0.80 120.40 117.46 2qcp s VAL 68 Ca 0.49 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2qcp s VAL 68 Cb -0.25 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2qcp s VAL 68 CO 0.31 -0.58 -0.06 0.00 -0.31 0.00 0.00 175.10 174.46 2qcp s ALA 69 N -2.30 2.97 0.14 1.32 0.00 -0.21 -1.25 121.76 122.42 2qcp s ALA 69 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2qcp s ALA 69 Cb -0.04 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.78 2qcp s ALA 69 CO -0.02 0.44 0.40 -0.59 0.00 0.00 0.00 175.76 175.99 2qcp s PHE 70 N -0.36 -0.11 0.08 0.00 -0.71 -0.34 -1.77 117.98 114.77 2qcp s PHE 70 Ca 0.05 -0.22 0.08 0.00 -1.04 0.00 0.00 56.93 55.80 2qcp s PHE 70 Cb -0.12 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2qcp s PHE 70 CO 0.02 -0.74 -0.20 -0.80 -1.34 0.00 0.00 175.22 172.16 2qcp s ASN 71 N -2.84 2.46 0.18 1.98 -0.87 -0.73 -0.84 114.94 114.30 2qcp s ASN 71 Ca 0.05 -0.62 -0.12 0.00 -1.57 0.00 0.00 52.86 50.60 2qcp s ASN 71 Cb 0.02 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 2qcp s ASN 71 CO -0.09 0.09 0.38 0.72 -2.57 0.00 0.00 177.10 175.63 2qcp s PHE 72 N -1.02 0.21 0.11 2.20 -0.12 0.01 -0.11 117.98 119.27 2qcp s PHE 72 Ca 0.06 -0.57 0.09 0.00 -0.05 0.00 0.00 56.93 56.47 2qcp s PHE 72 Cb -0.09 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 2qcp s PHE 72 CO 0.03 -0.81 -0.22 0.14 -0.05 0.00 0.00 175.22 174.31 2qcp s VAL 73 N -3.94 1.88 -0.31 -2.49 -7.23 -0.25 -0.46 120.40 107.60 2qcp s VAL 73 Ca 0.15 -1.63 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 2qcp s VAL 73 Cb 0.01 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2qcp s VAL 73 CO -0.00 -0.03 0.25 -1.58 -0.31 0.00 0.00 175.10 173.42 2qcp s GLN 74 N -2.01 3.77 -0.27 4.82 2.00 -1.26 -0.53 119.66 126.17 2qcp s GLN 74 Ca 0.09 -0.40 -0.00 0.00 -2.00 0.00 0.00 55.36 53.06 2qcp s GLN 74 Cb -0.10 -3.72 0.08 0.00 0.80 0.00 0.00 33.01 30.07 2qcp s GLN 74 CO 0.05 -0.32 0.03 -1.14 -0.50 0.00 0.00 175.29 173.41 2qcp s GLN 75 N 1.81 1.11 5.24 1.67 2.00 -0.30 -4.76 119.66 126.42 2qcp s GLN 75 Ca 0.08 -1.03 0.00 0.00 -2.00 0.00 0.00 55.36 52.41 2qcp s GLN 75 Cb -0.16 -2.37 0.00 0.00 0.80 0.00 0.00 33.01 31.28 2qcp s GLN 75 CO 0.11 -0.79 0.00 0.41 -0.50 0.00 0.00 175.29 174.52 2qcp n GLY 76 N 4.75 3.57 1.08 2.59 0.00 -1.26 -1.55 105.19 114.37 2qcp n GLY 76 Ca -0.06 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2qcp n GLY 76 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qcp n ASN 77 N 6.24 3.15 -4.46 1.61 3.02 -1.26 -4.87 115.26 118.69 2qcp n ASN 77 Ca 0.00 -2.11 -0.30 0.00 -0.03 0.00 0.00 54.58 52.14 2qcp n ASN 77 Cb 0.00 -0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 38.64 2qcp n ASN 77 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qcp s LEU 78 N -1.16 2.63 -0.50 3.41 1.43 -0.60 -5.09 118.68 118.81 2qcp s LEU 78 Ca 0.37 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 2qcp s LEU 78 Cb 0.21 -1.52 0.12 0.00 0.03 0.00 0.00 46.19 45.03 2qcp s LEU 78 CO 0.23 0.23 0.40 -0.44 0.23 0.00 0.00 176.35 176.99 2qcp s SER 79 N -1.66 5.85 -0.31 2.29 0.01 -1.26 -1.16 113.70 117.46 2qcp s SER 79 Ca 0.16 -1.91 -0.22 0.00 1.31 0.00 0.00 55.95 55.28 2qcp s SER 79 Cb -0.10 -2.07 -0.00 0.00 0.21 0.00 0.00 66.02 64.06 2qcp s SER 79 CO 0.07 -0.73 0.73 -0.76 0.41 0.00 0.00 173.24 172.95 2qcp s LEU 80 N 1.38 4.11 0.23 2.44 1.43 0.31 -0.80 118.68 127.79 2qcp s LEU 80 Ca 0.05 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 2qcp s LEU 80 Cb -0.27 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 42.88 2qcp s LEU 80 CO 0.00 -0.57 1.37 -0.76 0.23 0.00 0.00 176.35 176.61 2qcp s LEU 81 N 2.84 4.40 -0.15 1.79 1.43 -0.02 -1.09 118.68 127.88 2qcp s LEU 81 Ca 0.30 2.55 0.05 0.00 -1.03 0.00 0.00 54.13 56.00 2qcp s LEU 81 Cb -0.14 -3.62 -0.23 0.00 0.03 0.00 0.00 46.19 42.23 2qcp s LEU 81 CO 0.13 -0.60 0.23 1.67 0.23 0.00 0.00 176.35 178.00 2qcp n GLN 82 N 2.33 0.69 -3.49 1.70 7.27 0.84 -4.33 117.38 122.38 2qcp n GLN 82 Ca 0.06 0.19 -0.11 0.00 0.07 0.00 0.00 57.00 57.20 2qcp n GLN 82 Cb 0.41 -1.64 -0.03 0.00 2.41 0.00 0.00 30.24 31.39 2qcp n GLN 82 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2qcp s ASP 83 N -6.36 -0.48 -0.19 1.69 -4.77 -1.14 -0.97 116.67 104.47 2qcp s ASP 83 Ca -0.19 0.19 -0.24 0.00 -3.30 0.00 0.00 52.55 49.01 2qcp s ASP 83 Cb 0.07 0.46 0.06 0.00 -1.09 0.00 0.00 42.92 42.43 2qcp s ASP 83 CO 0.75 -0.68 0.64 -0.51 0.70 0.00 0.00 175.17 176.08 2qcp s ILE 84 N -2.65 0.00 0.10 2.11 2.07 -0.68 -1.77 121.20 120.38 2qcp s ILE 84 Ca -0.00 -0.03 -0.23 0.00 -1.41 0.00 0.00 60.65 58.98 2qcp s ILE 84 Cb -0.01 -0.91 0.06 0.00 0.13 0.00 0.00 42.46 41.73 2qcp s ILE 84 CO -0.05 -0.01 0.57 -1.59 -1.91 0.00 0.00 174.94 171.95 2qcp s LYS 85 N -0.10 1.17 0.53 3.50 -2.85 -0.73 -2.76 119.74 118.50 2qcp s LYS 85 Ca -0.03 -0.33 -0.22 0.00 -1.00 0.00 0.00 55.97 54.39 2qcp s LYS 85 Cb -0.04 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.21 2qcp s LYS 85 CO 0.03 -0.47 1.28 0.28 0.10 0.00 0.00 175.35 176.58 2qcp n VAL 86 N 0.02 3.52 -4.15 1.79 0.31 -1.26 -1.04 118.33 117.51 2qcp n VAL 86 Ca -0.17 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.54 2qcp n VAL 86 Cb 0.63 -1.57 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 2qcp n VAL 86 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qcp s SER 87 N -0.87 1.08 0.00 4.52 0.15 0.02 -4.64 113.70 113.97 2qcp s SER 87 Ca 0.70 -0.92 0.11 0.00 0.70 0.00 0.00 55.95 56.53 2qcp s SER 87 Cb -0.44 0.08 0.63 0.00 -1.71 0.00 0.00 66.02 64.59 2qcp s SER 87 CO 0.51 -0.42 1.07 1.67 1.20 0.00 0.00 173.24 177.27