#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcq s GLU 4 N 0.00 4.25 0.35 0.38 2.56 -1.26 -4.96 118.70 120.01 2qcq s GLU 4 Ca 0.00 1.64 0.26 0.00 0.00 0.00 0.00 54.97 56.87 2qcq s GLU 4 Cb 0.00 -3.73 0.84 0.00 2.00 0.00 0.00 34.13 33.24 2qcq s GLU 4 CO 0.00 -0.66 1.76 -1.00 -0.56 0.00 0.00 175.26 174.80 2qcq h PRO 5 N 8.04 0.00 -7.35 4.30 0.13 -1.98 -3.31 132.00 131.84 2qcq h PRO 5 Ca -0.27 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.40 2qcq h PRO 5 Cb 1.11 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.40 2qcq h PRO 5 CO 0.96 0.00 0.21 1.03 -0.23 0.00 0.00 178.00 179.96 2qcq s ARG 6 N -3.29 0.63 0.78 0.86 0.52 -1.26 -4.63 118.95 112.56 2qcq s ARG 6 Ca 0.06 0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 55.75 2qcq s ARG 6 Cb 0.09 -1.75 0.07 0.00 0.52 0.00 0.00 34.95 33.87 2qcq s ARG 6 CO 0.56 -2.62 1.13 -0.80 0.02 0.00 0.00 175.30 173.60 2qcq s ASN 7 N -3.44 4.11 -0.25 0.23 -0.87 -1.26 0.55 114.94 114.01 2qcq s ASN 7 Ca 0.65 2.06 -0.35 0.00 -1.57 0.00 0.00 52.86 53.65 2qcq s ASN 7 Cb -0.18 -2.55 -0.12 0.00 -0.02 0.00 0.00 41.25 38.38 2qcq s ASN 7 CO 0.57 -2.30 2.03 0.00 -2.57 0.00 0.00 177.10 174.84 2qcq s ALA 9 N 5.88 -0.11 -0.01 0.00 0.00 -0.45 -4.94 121.76 122.14 2qcq s ALA 9 Ca 1.02 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 2qcq s ALA 9 Cb -0.80 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 2qcq s ALA 9 CO 0.51 -0.84 0.60 0.50 0.00 0.00 0.00 175.76 176.54 2qcq s ARG 10 N -3.95 4.33 0.17 0.00 3.52 -1.26 -2.20 118.95 119.56 2qcq s ARG 10 Ca 0.24 0.74 0.10 0.00 -0.13 0.00 0.00 55.73 56.68 2qcq s ARG 10 Cb -0.00 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 2qcq s ARG 10 CO 0.10 0.34 -0.21 1.03 -0.81 0.00 0.00 175.30 175.75 2qcq s ARG 11 N -0.11 1.37 0.10 5.12 1.81 0.14 -4.97 118.95 122.41 2qcq s ARG 11 Ca 0.31 -1.43 -0.31 0.00 -1.72 0.00 0.00 55.73 52.59 2qcq s ARG 11 Cb -0.18 -1.58 -0.07 0.00 -0.45 0.00 0.00 34.95 32.67 2qcq s ARG 11 CO 0.17 0.34 1.26 -0.47 -0.68 0.00 0.00 175.30 175.92 2qcq s TYR 12 N -1.76 3.37 -0.15 -0.53 5.04 -1.26 -1.01 117.35 121.05 2qcq s TYR 12 Ca 0.17 1.22 -0.06 0.00 -2.44 0.00 0.00 57.07 55.96 2qcq s TYR 12 Cb -0.07 -3.50 0.07 0.00 0.35 0.00 0.00 41.96 38.81 2qcq s TYR 12 CO 0.08 -1.61 0.32 -1.17 -1.34 0.00 0.00 175.55 171.83 2qcq s LEU 13 N 0.84 -0.38 -0.25 6.97 2.96 -1.26 -4.77 118.68 122.79 2qcq s LEU 13 Ca 0.59 0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 55.13 2qcq s LEU 13 Cb -0.32 0.96 -0.05 0.00 0.50 0.00 0.00 46.19 47.29 2qcq s LEU 13 CO 0.31 -0.23 0.26 -0.75 -1.32 0.00 0.00 176.35 174.62 2qcq s LYS 14 N 2.39 4.06 -0.26 1.98 2.20 -1.26 -0.31 119.74 128.54 2qcq s LYS 14 Ca -0.01 -0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.38 2qcq s LYS 14 Cb -0.12 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2qcq s LYS 14 CO -0.10 -0.07 0.17 0.08 -0.36 0.00 0.00 175.35 175.06 2qcq s VAL 15 N 1.45 5.22 -0.28 4.02 1.01 0.13 -4.92 120.40 127.03 2qcq s VAL 15 Ca 0.11 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2qcq s VAL 15 Cb -0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2qcq s VAL 15 CO 0.08 0.29 0.25 -0.62 0.00 0.00 0.00 175.10 175.10 2qcq s ASP 16 N 1.48 6.10 0.39 3.32 -1.08 -1.26 -1.56 116.67 124.06 2qcq s ASP 16 Ca 0.07 0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.22 2qcq s ASP 16 Cb -0.15 -2.15 0.79 0.00 -1.46 0.00 0.00 42.92 39.95 2qcq s ASP 16 CO 0.08 -0.11 2.00 -0.26 0.52 0.00 0.00 175.17 177.40 2qcq h PHE 17 N 8.32 0.49 0.00 -5.34 0.04 -1.66 -0.53 116.94 118.25 2qcq h PHE 17 Ca -0.34 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.40 2qcq h PHE 17 Cb 1.18 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 2qcq h PHE 17 CO 0.75 0.38 -0.11 0.00 -0.60 0.00 0.00 178.31 178.73 2qcq h ALA 18 N 1.68 1.63 0.00 2.45 0.00 -1.90 -0.24 119.26 122.88 2qcq h ALA 18 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qcq h ALA 18 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qcq h ALA 18 CO -0.02 0.14 -0.27 -0.44 0.00 0.00 0.00 179.25 178.67 2qcq h ASP 19 N 0.00 0.00 -0.50 0.00 5.19 -1.48 -3.24 116.42 116.40 2qcq h ASP 19 Ca -0.00 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2qcq h ASP 19 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2qcq h ASP 19 CO 0.01 0.03 0.00 2.30 -3.12 0.00 0.00 179.24 178.47 2qcq n ILE 20 N -2.36 0.91 -1.04 0.35 -5.35 -1.08 -4.99 119.36 105.80 2qcq n ILE 20 Ca 0.04 -0.95 -0.01 0.00 -0.27 0.00 0.00 62.75 61.56 2qcq n ILE 20 Cb 0.45 0.58 -0.01 0.00 -1.74 0.00 0.00 39.64 38.93 2qcq n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qcq n GLY 21 N 1.08 0.48 1.13 3.28 0.00 -1.06 -4.96 105.19 105.13 2qcq n GLY 21 Ca 0.17 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.27 2qcq n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qcq n TRP 22 N -2.96 0.83 0.19 1.61 7.02 -0.12 -4.61 117.44 119.40 2qcq n TRP 22 Ca -0.01 -0.51 0.07 0.00 -1.02 0.00 0.00 57.50 56.03 2qcq n TRP 22 Cb 0.04 -0.02 0.31 0.00 -2.42 0.00 0.00 31.31 29.22 2qcq n TRP 22 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2qcq h SER 23 N 3.53 0.00 -0.80 -0.99 4.64 -1.87 -2.31 113.55 115.76 2qcq h SER 23 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 2qcq h SER 23 Cb 0.93 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.90 2qcq h SER 23 CO 0.01 0.32 0.25 -0.33 -0.87 0.00 0.00 176.83 176.22 2qcq h GLU 24 N 0.00 0.31 0.00 4.77 5.08 -1.93 -3.33 114.58 119.48 2qcq h GLU 24 Ca -0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2qcq h GLU 24 Cb 0.96 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2qcq h GLU 24 CO 0.04 0.20 -1.68 -2.67 -1.00 0.00 0.00 179.01 173.91 2qcq n TRP 25 N -5.12 0.00 -2.81 4.33 4.27 -1.18 -4.93 117.44 111.99 2qcq n TRP 25 Ca 0.17 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.36 2qcq n TRP 25 Cb 0.53 -0.44 -0.03 0.00 -1.36 0.00 0.00 31.31 30.00 2qcq n TRP 25 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2qcq s ILE 26 N -2.50 4.87 -0.23 -1.67 1.01 -0.87 0.03 121.20 121.84 2qcq s ILE 26 Ca -0.05 1.82 -0.18 0.00 0.00 0.00 0.00 60.65 62.24 2qcq s ILE 26 Cb 0.05 -4.22 -0.17 0.00 0.01 0.00 0.00 42.46 38.14 2qcq s ILE 26 CO 0.47 0.08 0.01 -0.38 0.00 0.00 0.00 174.94 175.12 2qcq n ILE 27 N 4.37 1.54 -3.73 2.92 5.41 0.45 -4.80 119.36 125.53 2qcq n ILE 27 Ca 0.05 -0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 2qcq n ILE 27 Cb 0.50 -1.95 -0.09 0.00 -0.71 0.00 0.00 39.64 37.38 2qcq n ILE 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2qcq s SER 28 N -7.08 -0.37 0.93 4.38 0.15 -0.77 -4.67 113.70 106.27 2qcq s SER 28 Ca -0.32 0.59 -0.14 0.00 0.70 0.00 0.00 55.95 56.78 2qcq s SER 28 Cb 0.09 0.66 0.18 0.00 -1.71 0.00 0.00 66.02 65.24 2qcq s SER 28 CO 0.57 -0.25 1.28 -2.16 1.20 0.00 0.00 173.24 173.87 2qcq s PRO 29 N -0.31 0.87 0.12 5.44 0.04 -1.26 -0.13 135.00 139.76 2qcq s PRO 29 Ca -0.05 -0.40 0.19 0.00 0.04 0.00 0.00 61.00 60.79 2qcq s PRO 29 Cb -0.03 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2qcq s PRO 29 CO 0.02 -2.25 0.90 1.63 0.04 0.00 0.00 177.00 177.34 2qcq n LYS 30 N -3.65 0.62 -3.93 4.56 5.02 -1.26 -4.92 118.16 114.60 2qcq n LYS 30 Ca 0.14 0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 2qcq n LYS 30 Cb 0.60 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 2qcq n LYS 30 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qcq s SER 31 N -5.57 -0.11 0.07 4.39 1.04 -1.26 -1.63 113.70 110.62 2qcq s SER 31 Ca -0.02 -0.81 -0.18 0.00 0.48 0.00 0.00 55.95 55.42 2qcq s SER 31 Cb 0.09 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.81 2qcq s SER 31 CO 0.80 -1.09 0.43 0.72 0.98 0.00 0.00 173.24 175.08 2qcq s PHE 32 N -3.97 -0.27 -0.56 5.02 -0.71 -0.60 -5.00 117.98 111.88 2qcq s PHE 32 Ca 0.18 0.17 -0.24 0.00 -1.04 0.00 0.00 56.93 56.01 2qcq s PHE 32 Cb -0.00 0.25 0.04 0.00 -1.21 0.00 0.00 43.02 42.10 2qcq s PHE 32 CO 0.05 -0.62 0.94 -0.51 -1.34 0.00 0.00 175.22 173.75 2qcq s ASP 33 N -2.21 6.32 0.05 1.98 1.01 -1.26 -0.70 116.67 121.87 2qcq s ASP 33 Ca -0.03 -0.43 -0.08 0.00 0.71 0.00 0.00 52.55 52.72 2qcq s ASP 33 Cb -0.00 -2.43 -0.31 0.00 1.01 0.00 0.00 42.92 41.19 2qcq s ASP 33 CO -0.05 -1.25 1.07 0.00 0.21 0.00 0.00 175.17 175.15 2qcq h ALA 34 N 9.34 0.02 -3.21 5.23 0.00 -0.94 -3.44 119.26 126.25 2qcq h ALA 34 Ca -0.26 -0.90 0.34 0.00 0.00 0.00 0.00 54.91 54.09 2qcq h ALA 34 Cb 1.07 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 2qcq h ALA 34 CO 1.10 0.89 -0.86 0.66 0.00 0.00 0.00 179.25 181.04 2qcq n TYR 35 N -3.59 -3.47 -4.02 0.00 4.02 -0.72 -1.65 117.16 107.72 2qcq n TYR 35 Ca -0.12 1.83 -0.10 0.00 -0.01 0.00 0.00 57.90 59.50 2qcq n TYR 35 Cb 1.05 -3.16 -0.05 0.00 -0.02 0.00 0.00 39.34 37.16 2qcq n TYR 35 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2qcq s TYR 36 N -3.33 0.51 -0.09 -0.72 -0.85 -0.18 -4.65 117.35 108.04 2qcq s TYR 36 Ca 0.00 -0.85 -0.01 0.00 -0.52 0.00 0.00 57.07 55.69 2qcq s TYR 36 Cb 0.00 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 2qcq s TYR 36 CO 0.00 -1.00 -0.04 0.00 -1.52 0.00 0.00 175.55 172.99 2qcq s SER 38 N -0.67 -0.26 0.00 0.00 1.04 -0.93 -4.90 113.70 107.98 2qcq s SER 38 Ca 0.10 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2qcq s SER 38 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2qcq s SER 38 CO 0.02 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2qcq n GLY 39 N -0.32 2.88 3.77 7.32 0.00 -1.26 -1.34 105.19 116.24 2qcq n GLY 39 Ca -0.11 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 2qcq n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qcq s ALA 40 N -2.04 3.28 -0.50 4.61 0.00 0.19 -4.19 121.76 123.11 2qcq s ALA 40 Ca 0.00 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.97 2qcq s ALA 40 Cb 0.00 -3.35 0.32 0.00 0.00 0.00 0.00 23.12 20.09 2qcq s ALA 40 CO 0.00 -0.35 0.81 0.00 0.00 0.00 0.00 175.76 176.21 2qcq s GLN 42 N -2.77 2.63 0.13 0.00 -2.07 -1.26 -4.15 119.66 112.17 2qcq s GLN 42 Ca 0.43 -0.92 -0.31 0.00 -1.82 0.00 0.00 55.36 52.74 2qcq s GLN 42 Cb 0.27 -2.53 -0.09 0.00 -1.09 0.00 0.00 33.01 29.57 2qcq s GLN 42 CO -0.10 0.50 1.57 0.12 -1.32 0.00 0.00 175.29 176.06 2qcq s PHE 43 N -1.58 2.90 -0.17 9.60 5.36 -1.26 -2.49 117.98 130.34 2qcq s PHE 43 Ca 0.28 0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 56.67 2qcq s PHE 43 Cb -0.10 -3.91 -0.04 0.00 -0.34 0.00 0.00 43.02 38.63 2qcq s PHE 43 CO 0.20 -3.42 0.41 -1.25 -1.46 0.00 0.00 175.22 169.70 2qcq s PRO 44 N 1.57 4.23 0.11 10.12 0.04 -1.26 -5.06 135.00 144.76 2qcq s PRO 44 Ca 0.70 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 2qcq s PRO 44 Cb -0.42 -3.49 -0.06 0.00 0.04 0.00 0.00 34.50 30.57 2qcq s PRO 44 CO 0.31 0.06 1.15 -1.64 0.04 0.00 0.00 177.00 176.92 2qcq s MET 45 N 0.99 4.50 0.71 4.56 -1.94 -1.04 -5.02 119.30 122.07 2qcq s MET 45 Ca 0.21 1.74 -0.15 0.00 -1.71 0.00 0.00 55.69 55.78 2qcq s MET 45 Cb -0.14 -3.32 0.03 0.00 2.01 0.00 0.00 34.83 33.41 2qcq s MET 45 CO 0.08 -0.11 1.20 -2.14 -0.01 0.00 0.00 175.02 174.04 2qcq s PRO 46 N 0.39 2.27 0.58 2.03 0.02 -1.26 -4.92 135.00 134.12 2qcq s PRO 46 Ca 0.54 1.75 0.27 0.00 0.02 0.00 0.00 61.00 63.58 2qcq s PRO 46 Cb -0.29 -1.85 1.70 0.00 0.02 0.00 0.00 34.50 34.08 2qcq s PRO 46 CO 0.32 -1.73 2.21 0.87 -0.33 0.00 0.00 177.00 178.34 2qcq h LYS 47 N -0.14 0.00 0.00 5.54 1.57 -2.02 -2.51 116.57 119.01 2qcq h LYS 47 Ca -0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2qcq h LYS 47 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2qcq h LYS 47 CO 0.51 0.00 -0.07 0.66 -0.57 0.00 0.00 179.45 179.97 2qcq h SER 48 N 0.00 0.00 0.21 0.86 4.64 -2.02 -1.88 113.55 115.36 2qcq h SER 48 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2qcq h SER 48 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2qcq h SER 48 CO -0.00 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 2qcq n LEU 49 N -3.25 0.00 -4.13 5.97 4.77 -0.95 -4.96 117.00 114.45 2qcq n LEU 49 Ca -0.00 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 2qcq n LEU 49 Cb 0.30 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2qcq n LEU 49 CO 0.28 -0.00 -0.24 0.29 -1.33 0.00 0.00 177.39 176.39 2qcq n LYS 50 N -1.10 -0.49 -2.31 3.23 5.02 -0.71 -0.71 118.16 121.08 2qcq n LYS 50 Ca 0.20 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.23 2qcq n LYS 50 Cb 0.15 -2.85 -0.00 0.00 -0.02 0.00 0.00 35.03 32.31 2qcq n LYS 50 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qcq s PRO 51 N -7.39 3.44 0.90 1.97 0.04 -1.26 -4.24 135.00 128.46 2qcq s PRO 51 Ca 0.37 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2qcq s PRO 51 Cb -0.20 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.44 2qcq s PRO 51 CO 0.98 -0.77 1.13 -1.54 0.04 0.00 0.00 177.00 176.84 2qcq s SER 52 N -1.81 3.65 0.21 6.66 1.04 -1.21 -4.87 113.70 117.36 2qcq s SER 52 Ca 0.72 1.00 -0.09 0.00 0.48 0.00 0.00 55.95 58.05 2qcq s SER 52 Cb -0.23 -1.59 0.24 0.00 0.10 0.00 0.00 66.02 64.54 2qcq s SER 52 CO 0.26 -2.47 1.81 0.78 0.98 0.00 0.00 173.24 174.60 2qcq h ASN 53 N -1.44 0.58 -0.57 7.02 2.35 -1.96 -2.32 115.58 119.24 2qcq h ASN 53 Ca -0.50 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.33 2qcq h ASN 53 Cb 1.33 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.55 2qcq h ASN 53 CO 0.62 0.38 0.29 -0.74 -1.65 0.00 0.00 177.43 176.32 2qcq h HIS 54 N 0.71 0.53 -0.48 1.19 2.76 -1.94 -1.93 115.15 116.00 2qcq h HIS 54 Ca 0.30 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 2qcq h HIS 54 Cb 0.16 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2qcq h HIS 54 CO -0.07 0.24 -0.02 0.00 -1.30 0.00 0.00 177.93 176.77 2qcq h ALA 55 N 1.32 1.06 -0.33 5.26 0.00 -1.70 0.94 119.26 125.80 2qcq h ALA 55 Ca 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qcq h ALA 55 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qcq h ALA 55 CO -0.19 0.59 0.21 1.15 0.00 0.00 0.00 179.25 181.00 2qcq h THR 56 N 0.75 1.11 -0.06 0.00 2.02 -1.15 -1.50 112.91 114.07 2qcq h THR 56 Ca 0.14 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2qcq h THR 56 Cb 0.49 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2qcq h THR 56 CO 0.02 0.11 -0.00 0.40 0.37 0.00 0.00 175.52 176.42 2qcq h ILE 57 N 0.44 1.26 -0.92 3.11 2.04 -0.97 -2.77 117.51 119.69 2qcq h ILE 57 Ca 0.12 -0.81 0.18 0.00 1.00 0.00 0.00 64.86 65.35 2qcq h ILE 57 Cb -0.00 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 37.65 2qcq h ILE 57 CO -0.02 0.22 0.51 -0.61 0.00 0.00 0.00 178.15 178.25 2qcq h GLN 58 N -0.19 0.63 0.00 2.37 4.15 -0.79 -1.40 115.11 119.88 2qcq h GLN 58 Ca 0.02 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2qcq h GLN 58 Cb 0.36 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2qcq h GLN 58 CO 0.00 0.42 -0.47 0.66 -1.93 0.00 0.00 178.83 177.51 2qcq h SER 59 N 0.65 0.00 -0.01 -0.69 4.64 -1.18 -1.65 113.55 115.32 2qcq h SER 59 Ca 0.53 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.78 2qcq h SER 59 Cb 0.83 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2qcq h SER 59 CO -0.40 0.47 -0.29 0.40 -0.87 0.00 0.00 176.83 176.14 2qcq h ILE 60 N 0.00 1.52 -0.91 0.95 2.04 -1.07 -2.16 117.51 117.89 2qcq h ILE 60 Ca -0.00 -1.94 0.15 0.00 1.00 0.00 0.00 64.86 64.07 2qcq h ILE 60 Cb 0.83 2.72 -0.07 0.00 -0.74 0.00 0.00 36.82 39.56 2qcq h ILE 60 CO 0.06 0.54 0.58 0.58 0.00 0.00 0.00 178.15 179.91 2qcq h VAL 61 N -0.44 0.81 -0.17 1.67 2.07 -1.25 -1.96 116.25 116.99 2qcq h VAL 61 Ca -0.03 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2qcq h VAL 61 Cb 1.03 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2qcq h VAL 61 CO 0.06 0.12 -0.10 -0.09 0.02 0.00 0.00 177.57 177.58 2qcq h ARG 62 N 0.67 0.36 -0.36 1.57 2.43 -1.31 -3.34 114.38 114.39 2qcq h ARG 62 Ca 0.46 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2qcq h ARG 62 Cb 0.79 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2qcq h ARG 62 CO -0.22 0.68 0.20 0.00 -1.51 0.00 0.00 179.97 179.13 2qcq h ALA 63 N 0.67 0.45 -2.41 2.80 0.00 -0.81 -3.39 119.26 116.58 2qcq h ALA 63 Ca 0.04 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 2qcq h ALA 63 Cb 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qcq h ALA 63 CO 0.03 -0.15 0.89 0.08 0.00 0.00 0.00 179.25 180.10 2qcq s VAL 64 N -6.16 3.45 0.51 0.00 1.01 -0.79 -4.94 120.40 113.48 2qcq s VAL 64 Ca -0.13 0.87 0.27 0.00 0.00 0.00 0.00 61.98 62.99 2qcq s VAL 64 Cb 0.11 -3.56 0.44 0.00 0.00 0.00 0.00 36.38 33.37 2qcq s VAL 64 CO 0.72 0.00 1.90 1.23 0.00 0.00 0.00 175.10 178.94 2qcq h GLY 65 N 8.34 0.23 -4.67 4.51 0.00 -1.82 -3.44 103.07 106.22 2qcq h GLY 65 Ca -0.40 -0.05 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 2qcq h GLY 65 CO 0.91 -0.00 0.84 -0.62 0.00 0.00 0.00 176.54 177.67 2qcq n VAL 66 N -4.35 0.42 -1.64 4.60 0.31 -1.26 -4.26 118.33 112.14 2qcq n VAL 66 Ca 0.17 -0.11 -0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2qcq n VAL 66 Cb 0.84 -1.75 -0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2qcq n VAL 66 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2qcq n VAL 67 N 2.98 -3.48 -1.94 2.52 0.31 -1.26 -4.80 118.33 112.66 2qcq n VAL 67 Ca 0.14 0.26 -0.36 0.00 -0.01 0.00 0.00 64.34 64.37 2qcq n VAL 67 Cb 0.33 -4.24 0.04 0.00 -0.91 0.00 0.00 33.84 29.06 2qcq n VAL 67 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2qcq s PRO 68 N -0.38 2.87 0.00 5.55 0.02 -1.26 -4.18 135.00 137.62 2qcq s PRO 68 Ca -0.01 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2qcq s PRO 68 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2qcq s PRO 68 CO 0.10 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 2qcq n GLY 69 N 0.49 0.91 3.62 0.52 0.00 -1.26 -5.02 105.19 104.45 2qcq n GLY 69 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2qcq n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qcq s ILE 70 N -3.04 4.19 0.93 -0.61 -1.09 -1.26 -5.02 121.20 115.29 2qcq s ILE 70 Ca 0.00 1.29 -0.12 0.00 -2.23 0.00 0.00 60.65 59.59 2qcq s ILE 70 Cb 0.00 -4.34 0.15 0.00 -1.58 0.00 0.00 42.46 36.69 2qcq s ILE 70 CO 0.00 -0.68 1.12 -2.16 -1.23 0.00 0.00 174.94 171.99 2qcq s PRO 71 N 4.29 0.99 0.57 2.79 0.04 -1.26 -4.80 135.00 137.62 2qcq s PRO 71 Ca 0.53 0.41 -0.19 0.00 0.04 0.00 0.00 61.00 61.79 2qcq s PRO 71 Cb -0.13 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2qcq s PRO 71 CO 0.26 -2.33 1.18 -1.21 0.04 0.00 0.00 177.00 174.94 2qcq s GLU 72 N -5.15 3.14 0.70 4.56 2.02 -1.26 -4.86 118.70 117.85 2qcq s GLU 72 Ca 0.64 1.76 -0.16 0.00 0.02 0.00 0.00 54.97 57.23 2qcq s GLU 72 Cb -0.16 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 2qcq s GLU 72 CO 0.55 -1.05 0.72 -2.30 0.02 0.00 0.00 175.26 173.20 2qcq n PRO 73 N -1.43 0.44 -3.42 0.39 -0.02 -1.26 -4.94 135.00 124.76 2qcq n PRO 73 Ca 0.13 0.19 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 2qcq n PRO 73 Cb 0.50 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2qcq n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qcq s VAL 76 N 4.35 1.97 0.03 0.00 -7.23 -0.81 -4.58 120.40 114.12 2qcq s VAL 76 Ca 0.31 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 2qcq s VAL 76 Cb -0.12 -2.03 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 2qcq s VAL 76 CO 0.18 -0.42 1.90 -2.84 -0.31 0.00 0.00 175.10 173.60 2qcq s PRO 77 N -3.25 4.15 0.00 4.82 0.02 -1.26 -0.70 135.00 138.78 2qcq s PRO 77 Ca 0.22 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.77 2qcq s PRO 77 Cb -0.04 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.42 2qcq s PRO 77 CO 0.09 -0.92 0.00 -1.91 -0.33 0.00 0.00 177.00 173.93 2qcq n GLU 78 N 7.24 0.00 -2.83 5.54 4.07 0.19 -4.82 120.64 130.03 2qcq n GLU 78 Ca 0.19 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.89 2qcq n GLU 78 Cb 0.41 -0.30 -0.06 0.00 -0.06 0.00 0.00 31.44 31.43 2qcq n GLU 78 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2qcq s LYS 79 N 0.00 4.75 0.17 5.31 1.02 -1.19 -4.91 119.74 124.89 2qcq s LYS 79 Ca 0.00 1.37 0.05 0.00 0.02 0.00 0.00 55.97 57.41 2qcq s LYS 79 Cb 0.00 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 2qcq s LYS 79 CO 0.00 0.53 -0.09 -1.64 -0.92 0.00 0.00 175.35 173.24 2qcq s MET 80 N -1.19 1.16 0.19 1.68 -1.94 -1.26 -0.72 119.30 117.22 2qcq s MET 80 Ca 0.39 -1.52 0.04 0.00 -1.71 0.00 0.00 55.69 52.90 2qcq s MET 80 Cb -0.25 -0.69 -0.05 0.00 2.01 0.00 0.00 34.83 35.86 2qcq s MET 80 CO 0.30 0.05 -0.06 -1.54 -0.01 0.00 0.00 175.02 173.77 2qcq s SER 81 N -3.22 1.89 0.59 3.03 1.04 0.17 -4.83 113.70 112.36 2qcq s SER 81 Ca 0.20 -1.12 0.06 0.00 0.48 0.00 0.00 55.95 55.57 2qcq s SER 81 Cb 0.03 -0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.22 2qcq s SER 81 CO 0.03 -0.41 0.81 -0.94 0.98 0.00 0.00 173.24 173.71 2qcq s SER 82 N -3.25 5.01 -0.23 7.02 1.04 -1.26 -0.44 113.70 121.59 2qcq s SER 82 Ca 0.23 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 2qcq s SER 82 Cb 0.04 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.26 2qcq s SER 82 CO 0.05 -1.37 0.26 -0.22 0.98 0.00 0.00 173.24 172.95 2qcq s LEU 83 N -4.74 -0.22 -0.06 2.42 2.96 0.85 -4.81 118.68 115.07 2qcq s LEU 83 Ca 0.62 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.96 2qcq s LEU 83 Cb -0.07 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 2qcq s LEU 83 CO 0.39 -0.34 1.30 -0.44 -1.32 0.00 0.00 176.35 175.94 2qcq s SER 84 N 2.37 6.95 -0.11 3.68 0.01 -1.26 -1.91 113.70 123.43 2qcq s SER 84 Ca 0.09 1.90 0.03 0.00 1.31 0.00 0.00 55.95 59.27 2qcq s SER 84 Cb -0.15 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.53 2qcq s SER 84 CO -0.17 -0.68 -0.20 -0.63 0.41 0.00 0.00 173.24 171.97 2qcq s ILE 85 N 2.60 1.83 -0.16 1.44 1.01 0.00 -4.48 121.20 123.44 2qcq s ILE 85 Ca 0.59 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 2qcq s ILE 85 Cb -0.27 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2qcq s ILE 85 CO 0.22 0.51 0.50 -0.22 0.00 0.00 0.00 174.94 175.95 2qcq s LEU 86 N 0.71 4.21 0.28 2.97 2.96 0.81 -1.79 118.68 128.83 2qcq s LEU 86 Ca -0.11 0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 54.40 2qcq s LEU 86 Cb -0.16 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.84 2qcq s LEU 86 CO 0.02 -0.10 0.58 0.72 -1.32 0.00 0.00 176.35 176.25 2qcq s PHE 87 N 1.16 0.26 -0.23 5.38 -0.71 -0.27 -0.41 117.98 123.16 2qcq s PHE 87 Ca 0.25 -0.67 -0.10 0.00 -1.04 0.00 0.00 56.93 55.37 2qcq s PHE 87 Cb -0.15 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 2qcq s PHE 87 CO 0.10 -1.14 0.14 -0.06 -1.34 0.00 0.00 175.22 172.91 2qcq s PHE 88 N -3.69 3.27 1.02 3.49 0.08 0.10 -0.40 117.98 121.86 2qcq s PHE 88 Ca 0.19 0.12 -0.17 0.00 0.12 0.00 0.00 56.93 57.20 2qcq s PHE 88 Cb -0.03 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2qcq s PHE 88 CO 0.10 0.02 -0.06 -0.25 -0.10 0.00 0.00 175.22 174.93 2qcq n ASP 89 N 4.29 -2.78 0.29 1.36 8.00 0.23 -4.84 116.55 123.10 2qcq n ASP 89 Ca -0.15 0.13 0.18 0.00 0.71 0.00 0.00 54.79 55.65 2qcq n ASP 89 Cb 0.52 -1.00 0.95 0.00 -0.02 0.00 0.00 41.12 41.57 2qcq n ASP 89 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2qcq h GLU 90 N -1.61 0.00 -0.42 -1.24 4.11 -1.99 -1.83 114.58 111.60 2qcq h GLU 90 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2qcq h GLU 90 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2qcq h GLU 90 CO 0.33 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.50 2qcq n ASN 91 N -2.79 3.16 -0.85 3.06 4.13 -1.26 -4.98 115.26 115.72 2qcq n ASN 91 Ca -0.02 -1.94 -0.11 0.00 1.68 0.00 0.00 54.58 54.18 2qcq n ASN 91 Cb 0.13 -0.28 -0.04 0.00 -1.54 0.00 0.00 39.78 38.05 2qcq n ASN 91 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qcq n LYS 92 N 0.94 -0.76 -2.51 3.52 4.76 -0.69 -5.03 118.16 118.40 2qcq n LYS 92 Ca 0.15 0.85 -0.41 0.00 -2.87 0.00 0.00 58.31 56.04 2qcq n LYS 92 Cb 0.48 -4.82 -0.04 0.00 -1.84 0.00 0.00 35.03 28.81 2qcq n LYS 92 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2qcq s ASN 93 N -2.86 7.28 -0.18 4.39 0.01 -1.26 -4.80 114.94 117.51 2qcq s ASN 93 Ca 0.00 2.15 -0.27 0.00 -0.71 0.00 0.00 52.86 54.03 2qcq s ASN 93 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 2qcq s ASN 93 CO 0.00 -0.18 0.93 -0.69 -1.51 0.00 0.00 177.10 175.64 2qcq s VAL 94 N -0.57 4.80 0.02 1.60 1.01 -1.26 -0.60 120.40 125.40 2qcq s VAL 94 Ca 0.48 1.82 0.07 0.00 0.00 0.00 0.00 61.98 64.35 2qcq s VAL 94 Cb -0.30 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 2qcq s VAL 94 CO 0.37 -0.05 -0.22 -0.69 0.00 0.00 0.00 175.10 174.51 2qcq s VAL 95 N 2.49 1.75 -0.19 2.92 1.01 0.47 -4.97 120.40 123.88 2qcq s VAL 95 Ca 0.42 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2qcq s VAL 95 Cb -0.16 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2qcq s VAL 95 CO 0.11 0.33 -0.18 -0.22 0.00 0.00 0.00 175.10 175.14 2qcq s LEU 96 N -0.95 2.31 -0.01 3.92 2.96 -1.26 -1.12 118.68 124.53 2qcq s LEU 96 Ca 0.08 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2qcq s LEU 96 Cb -0.09 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.15 2qcq s LEU 96 CO 0.01 -0.04 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.21 2qcq s LYS 97 N 1.28 0.45 -0.33 1.98 2.20 -0.74 -4.98 119.74 119.61 2qcq s LYS 97 Ca 0.03 -0.13 -0.21 0.00 -0.36 0.00 0.00 55.97 55.29 2qcq s LYS 97 Cb -0.14 -0.47 -0.00 0.00 -1.51 0.00 0.00 37.83 35.71 2qcq s LYS 97 CO -0.11 0.04 0.68 0.08 -0.36 0.00 0.00 175.35 175.68 2qcq s VAL 98 N 0.21 4.86 -0.20 4.02 1.01 -1.26 -0.82 120.40 128.22 2qcq s VAL 98 Ca -0.02 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 2qcq s VAL 98 Cb -0.06 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2qcq s VAL 98 CO -0.00 -0.27 0.36 -0.31 0.00 0.00 0.00 175.10 174.88 2qcq s TYR 99 N 2.78 3.38 0.61 5.22 1.51 -0.80 -4.86 117.35 125.19 2qcq s TYR 99 Ca 0.27 0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 56.78 2qcq s TYR 99 Cb -0.14 -2.48 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 2qcq s TYR 99 CO 0.14 0.02 1.03 -1.25 -1.11 0.00 0.00 175.55 174.38 2qcq s PRO 100 N 1.19 3.52 -1.18 -1.71 0.04 -1.26 -0.11 135.00 135.49 2qcq s PRO 100 Ca 0.18 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 2qcq s PRO 100 Cb -0.14 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2qcq s PRO 100 CO 0.07 -0.63 0.81 0.09 0.04 0.00 0.00 177.00 177.38 2qcq n ASN 101 N -2.57 -3.78 -0.08 6.66 5.03 -1.23 -4.87 115.26 114.42 2qcq n ASN 101 Ca 0.07 -0.82 -0.10 0.00 0.87 0.00 0.00 54.58 54.59 2qcq n ASN 101 Cb 0.54 -4.28 -0.10 0.00 -1.02 0.00 0.00 39.78 34.92 2qcq n ASN 101 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2qcq n MET 102 N -3.96 1.12 -4.87 3.52 2.81 0.42 -4.95 117.12 111.19 2qcq n MET 102 Ca -0.18 0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.43 2qcq n MET 102 Cb 0.64 -1.36 -0.17 0.00 -0.71 0.00 0.00 33.22 31.62 2qcq n MET 102 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2qcq s THR 103 N -2.35 2.06 -0.04 2.03 2.01 -0.69 -4.70 115.64 113.96 2qcq s THR 103 Ca -0.15 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.55 2qcq s THR 103 Cb 0.05 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2qcq s THR 103 CO 0.51 0.55 1.26 -0.69 -0.69 0.00 0.00 174.62 175.56 2qcq s VAL 104 N 0.64 4.10 -0.23 3.82 1.01 -0.66 -0.65 120.40 128.42 2qcq s VAL 104 Ca -0.11 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.38 2qcq s VAL 104 Cb -0.16 -3.92 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 2qcq s VAL 104 CO 0.02 -0.00 -0.09 -0.62 0.00 0.00 0.00 175.10 174.41 2qcq n GLU 105 N 5.23 0.67 -3.71 2.72 -0.58 0.10 -4.81 120.64 120.26 2qcq n GLU 105 Ca 0.12 0.10 -0.10 0.00 -0.42 0.00 0.00 57.16 56.85 2qcq n GLU 105 Cb 0.45 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 2qcq n GLU 105 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qcq s SER 106 N -6.14 -0.13 0.16 1.62 1.04 -0.95 -4.93 113.70 104.37 2qcq s SER 106 Ca -0.25 -0.37 0.11 0.00 0.48 0.00 0.00 55.95 55.92 2qcq s SER 106 Cb 0.08 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2qcq s SER 106 CO 0.69 -0.77 -0.24 0.00 0.98 0.00 0.00 173.24 173.90 2qcq s ALA 108 N -1.47 0.73 -0.29 0.00 0.00 0.12 -4.70 121.76 116.15 2qcq s ALA 108 Ca 0.17 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 2qcq s ALA 108 Cb -0.09 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2qcq s ALA 108 CO 0.08 -0.34 0.49 0.00 0.00 0.00 0.00 175.76 175.98