#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qck s THR 2 N 0.00 4.81 0.58 1.12 -4.23 -1.26 -5.05 115.64 111.61 1qck s THR 2 Ca 0.00 0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1qck s THR 2 Cb 0.00 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.65 1qck s THR 2 CO 0.00 -0.54 0.89 0.42 -0.54 0.00 0.00 174.62 174.85 1qck s THR 3 N 2.89 3.80 0.85 3.99 -4.23 -1.26 -5.07 115.64 116.60 1qck s THR 3 Ca 0.25 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.67 1qck s THR 3 Cb -0.14 -3.50 0.11 0.00 1.34 0.00 0.00 72.50 70.31 1qck s THR 3 CO 0.19 -0.52 1.19 -0.44 -0.54 0.00 0.00 174.62 174.49 1qck s SER 4 N -4.28 4.11 0.54 3.99 0.01 -1.26 -4.92 113.70 111.89 1qck s SER 4 Ca 0.53 0.76 0.20 0.00 1.31 0.00 0.00 55.95 58.76 1qck s SER 4 Cb -0.11 -1.22 1.43 0.00 0.21 0.00 0.00 66.02 66.33 1qck s SER 4 CO 0.45 -2.15 2.18 1.56 0.41 0.00 0.00 173.24 175.69 1qck h GLN 5 N -1.23 0.00 -0.95 12.44 4.20 -2.01 -1.92 115.11 125.65 1qck h GLN 5 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1qck h GLN 5 Cb 1.32 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.05 1qck h GLN 5 CO 0.62 0.00 0.61 0.87 -0.67 0.00 0.00 178.83 180.26 1qck h LYS 6 N 0.00 1.27 0.11 1.46 1.57 -1.94 0.10 116.57 119.14 1qck h LYS 6 Ca 0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1qck h LYS 6 Cb 0.02 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 1qck h LYS 6 CO -0.00 0.86 -0.06 1.25 -0.57 0.00 0.00 179.45 180.93 1qck h HIS 7 N 1.30 -0.15 -0.16 -1.35 2.76 -1.69 0.32 115.15 116.18 1qck h HIS 7 Ca 0.35 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.38 1qck h HIS 7 Cb -0.12 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1qck h HIS 7 CO 0.00 -0.09 -0.48 0.00 -1.30 0.00 0.00 177.93 176.06 1qck h ARG 8 N -0.16 0.41 -0.40 5.26 2.47 -1.58 -2.80 114.38 117.58 1qck h ARG 8 Ca -0.01 -0.23 -0.14 0.00 -1.26 0.00 0.00 59.98 58.34 1qck h ARG 8 Cb 0.13 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1qck h ARG 8 CO 0.02 0.81 -0.29 -0.44 0.56 0.00 0.00 179.97 180.62 1qck h ASP 9 N 0.33 0.91 -0.28 7.04 3.32 -0.52 -1.18 116.42 126.05 1qck h ASP 9 Ca 0.02 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1qck h ASP 9 Cb 0.97 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1qck h ASP 9 CO 0.08 1.14 0.03 0.15 -1.72 0.00 0.00 179.24 178.92 1qck h PHE 10 N 0.74 0.50 -0.19 4.55 3.04 -0.27 -2.68 116.94 122.64 1qck h PHE 10 Ca 0.08 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1qck h PHE 10 Cb 0.85 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.23 1qck h PHE 10 CO 0.05 0.59 0.00 1.33 -2.02 0.00 0.00 178.31 178.26 1qck n VAL 11 N -4.64 0.25 0.56 1.41 0.24 -1.07 -3.51 118.33 111.57 1qck n VAL 11 Ca -0.03 -0.28 0.09 0.00 -2.04 0.00 0.00 64.34 62.08 1qck n VAL 11 Cb 0.22 0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 32.62 1qck n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qck n ALA 12 N 0.09 3.83 -3.26 2.33 0.00 -0.45 -4.97 120.51 118.08 1qck n ALA 12 Ca 0.11 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1qck n ALA 12 Cb 0.21 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1qck n ALA 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qck s GLU 13 N -2.99 0.94 0.73 0.00 -1.05 -1.17 -5.06 118.70 110.10 1qck s GLU 13 Ca 0.02 -0.23 -0.15 0.00 -0.15 0.00 0.00 54.97 54.46 1qck s GLU 13 Cb 0.14 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 34.12 1qck s GLU 13 CO 0.79 -0.32 -0.50 -2.30 0.95 0.00 0.00 175.26 173.88 1qck n PRO 14 N 0.62 0.00 -0.03 -4.83 -0.02 -1.26 -4.78 135.00 124.71 1qck n PRO 14 Ca -0.19 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.24 1qck n PRO 14 Cb 0.59 -0.89 -0.13 0.00 -0.02 0.00 0.00 33.50 33.05 1qck n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qck n MET 15 N 1.90 0.65 0.00 -0.52 0.00 -1.26 -5.00 117.12 112.88 1qck n MET 15 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1qck n MET 15 Cb 0.47 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1qck n MET 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qck n GLY 16 N 1.54 2.97 1.79 3.17 0.00 -1.26 -2.35 105.19 111.05 1qck n GLY 16 Ca -0.18 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 1qck n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qck n GLU 17 N 14.00 2.67 -1.68 1.61 1.02 -1.26 -4.69 120.64 132.31 1qck n GLU 17 Ca 0.00 -3.55 -0.37 0.00 -0.02 0.00 0.00 57.16 53.22 1qck n GLU 17 Cb 0.00 -2.11 0.06 0.00 -0.02 0.00 0.00 31.44 29.37 1qck n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qck n LYS 18 N -0.94 1.06 -1.28 3.49 4.76 -0.99 -4.79 118.16 119.48 1qck n LYS 18 Ca 0.45 0.41 -0.34 0.00 -2.87 0.00 0.00 58.31 55.97 1qck n LYS 18 Cb 0.95 -2.39 0.11 0.00 -1.84 0.00 0.00 35.03 31.86 1qck n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1qck s PRO 19 N -3.09 1.91 0.16 1.97 0.04 -1.26 -2.77 135.00 131.97 1qck s PRO 19 Ca 0.79 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 1qck s PRO 19 Cb -0.40 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1qck s PRO 19 CO 0.44 -2.00 1.76 -0.24 0.04 0.00 0.00 177.00 176.99 1qck h VAL 20 N -0.62 0.92 0.00 -0.36 3.04 -1.80 -1.11 116.25 116.32 1qck h VAL 20 Ca -0.47 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1qck h VAL 20 Cb 1.29 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1qck h VAL 20 CO 0.48 0.06 0.06 0.61 -1.01 0.00 0.00 177.57 177.77 1qck n GLY 21 N -1.22 -0.21 0.17 3.17 0.00 -1.26 -0.59 105.19 105.25 1qck n GLY 21 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1qck n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qck h SER 22 N 0.00 0.00 -3.23 1.61 0.02 -1.46 -3.44 113.55 107.05 1qck h SER 22 Ca 0.00 -0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1qck h SER 22 Cb 0.12 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.73 1qck h SER 22 CO 0.00 0.00 0.86 -0.76 -1.14 0.00 0.00 176.83 175.79 1qck s LEU 23 N -5.84 4.36 0.23 5.07 1.43 0.24 -4.89 118.68 119.28 1qck s LEU 23 Ca 0.04 2.82 -0.31 0.00 -1.03 0.00 0.00 54.13 55.65 1qck s LEU 23 Cb 0.07 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 1qck s LEU 23 CO 0.72 -0.84 1.51 0.00 0.23 0.00 0.00 176.35 177.97 1qck s ALA 24 N 0.23 3.70 0.00 4.21 0.00 -1.26 -1.76 121.76 126.87 1qck s ALA 24 Ca 0.64 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1qck s ALA 24 Cb -0.46 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1qck s ALA 24 CO 0.43 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1qck n GLY 25 N 2.73 3.40 3.50 0.00 0.00 -1.26 -2.70 105.19 110.85 1qck n GLY 25 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1qck n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qck s ILE 26 N -2.84 5.21 0.60 -0.61 -1.09 -0.72 -4.78 121.20 116.96 1qck s ILE 26 Ca 0.00 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.12 1qck s ILE 26 Cb 0.00 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 37.11 1qck s ILE 26 CO 0.00 -0.22 0.82 0.61 -1.23 0.00 0.00 174.94 174.93 1qck n GLY 27 N 5.10 1.27 0.37 6.18 0.00 -1.26 -4.63 105.19 112.21 1qck n GLY 27 Ca -0.10 -2.11 -0.00 0.00 0.00 0.00 0.00 46.02 43.80 1qck n GLY 27 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qck h GLU 28 N 0.00 1.22 -0.21 1.61 5.08 -1.98 0.59 114.58 120.90 1qck h GLU 28 Ca -0.27 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1qck h GLU 28 Cb 1.12 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1qck h GLU 28 CO 0.34 0.81 -0.03 0.28 -1.00 0.00 0.00 179.01 179.40 1qck h VAL 29 N 1.26 1.28 -0.54 3.13 2.07 -2.00 -1.95 116.25 119.49 1qck h VAL 29 Ca 0.39 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 1qck h VAL 29 Cb -0.02 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1qck h VAL 29 CO -0.12 0.30 -0.12 -0.07 0.02 0.00 0.00 177.57 177.59 1qck h LEU 30 N 0.12 1.04 -0.94 2.57 3.38 -1.83 -2.92 115.31 116.74 1qck h LEU 30 Ca 0.05 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1qck h LEU 30 Cb 0.47 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1qck h LEU 30 CO 0.02 1.16 0.62 1.23 0.09 0.00 0.00 178.44 181.55 1qck h GLY 31 N 0.92 1.34 1.20 0.83 0.00 0.27 -2.12 103.07 105.51 1qck h GLY 31 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1qck h GLY 31 CO 0.05 0.46 0.42 0.50 0.00 0.00 0.00 176.54 177.97 1qck h LYS 32 N 1.25 1.05 -0.34 4.80 1.79 -1.16 -1.58 116.57 122.37 1qck h LYS 32 Ca 0.35 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1qck h LYS 32 Cb -0.10 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.32 1qck h LYS 32 CO -0.09 0.76 0.07 0.87 -1.08 0.00 0.00 179.45 179.99 1qck h LYS 33 N 1.05 0.55 -0.86 3.15 1.79 -1.30 -2.19 116.57 118.77 1qck h LYS 33 Ca 0.27 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1qck h LYS 33 Cb 0.02 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1qck h LYS 33 CO -0.04 0.62 0.43 -0.07 -1.08 0.00 0.00 179.45 179.31 1qck h LEU 34 N 0.40 1.12 -1.00 2.94 3.38 -1.18 -2.17 115.31 118.79 1qck h LEU 34 Ca 0.11 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qck h LEU 34 Cb 0.32 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1qck h LEU 34 CO 0.00 0.93 0.66 -0.33 0.09 0.00 0.00 178.44 179.79 1qck h GLU 35 N 1.23 1.32 0.00 1.13 5.08 -1.05 0.26 114.58 122.55 1qck h GLU 35 Ca 0.30 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1qck h GLU 35 Cb 0.09 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1qck h GLU 35 CO -0.04 0.87 0.00 1.49 -1.00 0.00 0.00 179.01 180.33 1qck h GLU 36 N 1.35 0.00 -0.25 2.33 4.57 -0.81 -1.10 114.58 120.68 1qck h GLU 36 Ca 0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1qck h GLU 36 Cb -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1qck h GLU 36 CO -0.08 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.29 1qck n ARG 37 N -2.95 1.78 -0.18 1.92 5.12 0.82 -4.88 116.66 118.30 1qck n ARG 37 Ca -0.00 -1.19 0.00 0.00 -1.93 0.00 0.00 57.85 54.73 1qck n ARG 37 Cb 0.24 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1qck n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qck n GLY 38 N 1.11 0.88 3.09 -0.13 0.00 -0.42 -5.01 105.19 104.71 1qck n GLY 38 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1qck n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qck n PHE 39 N -2.16 3.79 0.71 1.61 3.01 -0.61 -4.83 117.46 118.98 1qck n PHE 39 Ca 0.00 -3.47 0.10 0.00 1.01 0.00 0.00 57.45 55.09 1qck n PHE 39 Cb 0.00 -1.33 0.44 0.00 -0.01 0.00 0.00 39.48 38.58 1qck n PHE 39 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1qck n ASP 40 N 1.92 0.01 -4.09 4.37 5.75 -1.26 -3.64 116.55 119.61 1qck n ASP 40 Ca 0.25 0.50 -0.08 0.00 -0.01 0.00 0.00 54.79 55.45 1qck n ASP 40 Cb 0.37 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.85 1qck n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qck s LYS 41 N -3.00 0.72 0.14 0.11 1.02 -1.26 -4.51 119.74 112.96 1qck s LYS 41 Ca 0.10 -1.26 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 1qck s LYS 41 Cb 0.13 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1qck s LYS 41 CO 0.38 -0.17 1.64 0.00 -0.92 0.00 0.00 175.35 176.28 1qck h ALA 42 N 3.03 0.60 0.00 5.17 0.00 -1.69 -2.83 119.26 123.53 1qck h ALA 42 Ca -0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1qck h ALA 42 Cb 1.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qck h ALA 42 CO 0.63 0.29 0.08 0.10 0.00 0.00 0.00 179.25 180.35 1qck h TYR 43 N 0.61 0.00 0.04 0.00 -0.00 -1.84 0.31 116.97 116.09 1qck h TYR 43 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.64 1qck h TYR 43 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.04 1qck h TYR 43 CO 0.02 0.00 -1.07 0.28 -0.00 0.00 0.00 178.16 177.39 1qck h VAL 44 N 0.00 1.65 -0.02 -0.90 2.07 -1.90 -2.89 116.25 114.27 1qck h VAL 44 Ca 0.00 -3.33 -0.26 0.00 0.82 0.00 0.00 66.70 63.93 1qck h VAL 44 Cb 0.17 2.87 0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1qck h VAL 44 CO 0.00 0.95 -1.02 0.58 0.02 0.00 0.00 177.57 178.11 1qck h VAL 45 N 0.02 1.28 -0.52 2.57 2.07 -0.50 -2.88 116.25 118.29 1qck h VAL 45 Ca -0.05 -2.21 0.03 0.00 0.82 0.00 0.00 66.70 65.29 1qck h VAL 45 Cb 1.83 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 33.90 1qck h VAL 45 CO 0.15 0.69 0.35 0.25 0.02 0.00 0.00 177.57 179.02 1qck h LEU 46 N 0.41 0.52 -0.94 2.57 5.85 -1.16 -0.21 115.31 122.35 1qck h LEU 46 Ca -0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1qck h LEU 46 Cb 1.67 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 1qck h LEU 46 CO 0.20 0.36 0.62 1.23 -0.34 0.00 0.00 178.44 180.51 1qck h GLY 47 N 0.61 1.32 1.01 3.75 0.00 -1.29 -1.83 103.07 106.63 1qck h GLY 47 Ca 0.21 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1qck h GLY 47 CO -0.05 0.48 0.54 -1.61 0.00 0.00 0.00 176.54 175.90 1qck h GLN 48 N 1.27 1.07 -0.84 4.80 5.75 -0.91 0.47 115.11 126.72 1qck h GLN 48 Ca 0.34 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1qck h GLN 48 Cb -0.15 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.12 1qck h GLN 48 CO -0.07 0.71 0.54 0.35 -2.65 0.00 0.00 178.83 177.71 1qck h PHE 49 N 1.10 1.07 -0.36 3.99 3.57 -1.13 0.14 116.94 125.32 1qck h PHE 49 Ca 0.30 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 1qck h PHE 49 Cb -0.13 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.25 1qck h PHE 49 CO -0.02 0.69 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.24 1qck h LEU 50 N 1.14 1.01 -1.38 0.59 3.38 -0.53 -2.39 115.31 117.13 1qck h LEU 50 Ca 0.31 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1qck h LEU 50 Cb -0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 1qck h LEU 50 CO -0.06 1.29 -0.23 0.58 0.09 0.00 0.00 178.44 180.11 1qck h VAL 51 N 0.74 0.67 -0.41 1.22 2.07 0.60 -2.69 116.25 118.47 1qck h VAL 51 Ca 0.05 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1qck h VAL 51 Cb 1.04 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1qck h VAL 51 CO 0.10 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.10 1qck n LEU 52 N -3.56 3.24 -3.95 2.57 4.77 0.43 -4.91 117.00 115.59 1qck n LEU 52 Ca -0.01 -1.64 -0.31 0.00 -0.03 0.00 0.00 56.01 54.03 1qck n LEU 52 Cb 0.37 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1qck n LEU 52 CO 0.33 0.54 0.09 0.29 -1.33 0.00 0.00 177.39 177.31 1qck n LYS 53 N 0.60 -5.22 -0.97 3.23 5.02 -1.01 -1.60 118.16 118.21 1qck n LYS 53 Ca 0.16 0.57 -0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1qck n LYS 53 Cb 0.63 -5.43 -0.00 0.00 -0.02 0.00 0.00 35.03 30.20 1qck n LYS 53 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qck n LYS 54 N -4.65 -1.05 -1.99 1.97 2.85 -0.91 -4.80 118.16 109.58 1qck n LYS 54 Ca 0.04 0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 1qck n LYS 54 Cb 0.52 -3.97 -0.03 0.00 -0.65 0.00 0.00 35.03 30.91 1qck n LYS 54 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qck s ASP 55 N -0.99 6.46 0.23 -5.58 -1.08 -0.63 -4.86 116.67 110.22 1qck s ASP 55 Ca 0.00 2.04 -0.07 0.00 -0.52 0.00 0.00 52.55 53.99 1qck s ASP 55 Cb 0.00 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 39.12 1qck s ASP 55 CO 0.00 -1.12 1.84 -0.08 0.52 0.00 0.00 175.17 176.33 1qck h GLU 56 N 10.43 1.24 -0.36 4.34 4.81 -1.90 0.19 114.58 133.32 1qck h GLU 56 Ca -0.38 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.52 1qck h GLU 56 Cb 1.18 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1qck h GLU 56 CO 0.97 0.92 -0.43 -0.44 -0.73 0.00 0.00 179.01 179.30 1qck h ASP 57 N 1.23 0.99 -0.23 1.04 3.32 -1.99 0.05 116.42 120.84 1qck h ASP 57 Ca 0.31 -0.48 -0.20 0.00 0.02 0.00 0.00 57.03 56.68 1qck h ASP 57 Cb 0.06 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1qck h ASP 57 CO -0.05 1.28 -0.64 -0.07 -1.72 0.00 0.00 179.24 178.05 1qck h LEU 58 N 0.74 0.96 -0.01 1.55 3.38 -1.90 -2.17 115.31 117.86 1qck h LEU 58 Ca 0.05 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1qck h LEU 58 Cb 1.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1qck h LEU 58 CO 0.10 1.36 0.00 0.15 0.09 0.00 0.00 178.44 180.15 1qck h PHE 59 N 0.62 0.01 -0.66 1.13 3.57 -0.53 -0.35 116.94 120.74 1qck h PHE 59 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1qck h PHE 59 Cb 1.25 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1qck h PHE 59 CO 0.08 0.10 0.35 0.00 -2.23 0.00 0.00 178.31 176.60 1qck h ARG 60 N -0.08 0.92 -0.66 1.11 3.08 -0.99 -1.93 114.38 115.83 1qck h ARG 60 Ca 0.00 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1qck h ARG 60 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1qck h ARG 60 CO -0.00 0.71 0.13 1.49 -1.07 0.00 0.00 179.97 181.23 1qck h GLU 61 N 0.90 1.06 -0.07 0.04 4.81 -1.24 -0.74 114.58 119.34 1qck h GLU 61 Ca 0.23 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1qck h GLU 61 Cb 0.07 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1qck h GLU 61 CO -0.03 0.96 0.04 2.35 -0.73 0.00 0.00 179.01 181.59 1qck h TRP 62 N 1.00 0.09 -0.04 0.92 7.01 -0.59 0.45 115.95 124.79 1qck h TRP 62 Ca 0.20 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1qck h TRP 62 Cb 0.40 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1qck h TRP 62 CO 0.03 0.12 -0.01 1.25 -2.79 0.00 0.00 178.44 177.04 1qck h LEU 63 N 0.04 0.08 -0.24 0.65 5.85 -1.24 0.41 115.31 120.85 1qck h LEU 63 Ca 0.02 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1qck h LEU 63 Cb 0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1qck h LEU 63 CO -0.00 0.42 0.13 0.50 -0.34 0.00 0.00 178.44 179.14 1qck h LYS 64 N -0.27 0.34 -0.05 1.25 3.64 -1.09 0.20 116.57 120.60 1qck h LYS 64 Ca 0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1qck h LYS 64 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1qck h LYS 64 CO 0.00 0.32 -0.44 0.22 -2.27 0.00 0.00 179.45 177.29 1qck h ASP 65 N 0.28 0.12 0.76 4.20 1.82 -0.08 0.68 116.42 124.19 1qck h ASP 65 Ca 0.09 -0.05 -0.25 0.00 -0.39 0.00 0.00 57.03 56.43 1qck h ASP 65 Cb 0.09 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1qck h ASP 65 CO -0.01 0.54 -1.13 0.74 -1.61 0.00 0.00 179.24 177.76 1qck h THR 66 N 0.09 1.58 0.00 2.25 2.02 0.27 -3.42 112.91 115.70 1qck h THR 66 Ca 0.01 -3.17 0.00 0.00 0.77 0.00 0.00 66.41 64.02 1qck h THR 66 Cb 0.81 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1qck h THR 66 CO 0.06 0.92 -0.37 0.00 0.37 0.00 0.00 175.52 176.50 1qck n GLY 68 N 1.57 1.35 3.52 0.00 0.00 0.24 -5.01 105.19 106.86 1qck n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1qck n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qck n ALA 69 N -1.12 -1.06 -2.00 4.61 0.00 -1.25 -4.91 120.51 114.78 1qck n ALA 69 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 1qck n ALA 69 Cb 0.00 -1.95 0.08 0.00 0.00 0.00 0.00 19.45 17.58 1qck n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qck s ASN 70 N -1.53 4.79 0.37 0.00 0.01 -1.26 -4.52 114.94 112.79 1qck s ASN 70 Ca 0.68 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.42 1qck s ASN 70 Cb -0.35 -0.11 0.71 0.00 0.41 0.00 0.00 41.25 41.91 1qck s ASN 70 CO 0.55 -1.53 2.01 0.00 -1.51 0.00 0.00 177.10 176.63 1qck h ALA 71 N -0.16 1.58 -0.26 0.60 0.00 -1.99 -1.95 119.26 117.08 1qck h ALA 71 Ca -0.36 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1qck h ALA 71 Cb 1.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qck h ALA 71 CO 0.42 0.37 -0.30 -0.22 0.00 0.00 0.00 179.25 179.52 1qck h LYS 72 N 0.72 0.67 -0.46 0.00 3.64 -2.00 -2.51 116.57 116.62 1qck h LYS 72 Ca 0.19 -0.37 -0.13 0.00 -1.27 0.00 0.00 60.65 59.08 1qck h LYS 72 Cb -0.04 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1qck h LYS 72 CO -0.04 0.98 -0.20 1.96 -2.27 0.00 0.00 179.45 179.88 1qck h GLN 73 N 0.39 0.94 -0.42 1.90 7.50 -1.81 -3.00 115.11 120.61 1qck h GLN 73 Ca 0.04 -0.39 -0.12 0.00 0.50 0.00 0.00 58.65 58.68 1qck h GLN 73 Cb 0.88 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 1qck h GLN 73 CO 0.07 1.05 -0.22 1.03 -1.50 0.00 0.00 178.83 179.26 1qck h SER 74 N 0.81 0.87 -0.84 1.46 0.87 -1.37 -2.82 113.55 112.53 1qck h SER 74 Ca 0.11 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1qck h SER 74 Cb 0.76 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 1qck h SER 74 CO 0.06 1.06 0.52 0.03 -0.53 0.00 0.00 176.83 177.97 1qck h ARG 75 N 0.74 1.14 -0.47 2.24 3.08 -1.36 -0.80 114.38 118.96 1qck h ARG 75 Ca 0.10 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1qck h ARG 75 Cb 0.76 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1qck h ARG 75 CO 0.06 0.80 -0.23 -0.44 -1.07 0.00 0.00 179.97 179.09 1qck h ASP 76 N 1.17 1.00 -0.39 7.04 3.32 -1.38 -2.54 116.42 124.64 1qck h ASP 76 Ca 0.31 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.81 1qck h ASP 76 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1qck h ASP 76 CO -0.06 1.17 -0.38 0.00 -1.72 0.00 0.00 179.24 178.26 1qck h PHE 78 N 0.77 -1.25 -0.29 0.00 3.57 -1.06 0.62 116.94 119.30 1qck h PHE 78 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1qck h PHE 78 Cb 0.97 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 1qck h PHE 78 CO 0.06 -0.75 -0.01 0.78 -2.23 0.00 0.00 178.31 176.17 1qck h GLY 79 N -1.28 0.46 0.73 2.40 0.00 -1.51 0.53 103.07 104.39 1qck h GLY 79 Ca -0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1qck h GLY 79 CO 0.19 0.25 -0.23 0.00 0.00 0.00 0.00 176.54 176.74 1qck h LEU 81 N -0.05 1.00 -0.68 0.00 3.38 0.46 -2.29 115.31 117.14 1qck h LEU 81 Ca 0.00 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1qck h LEU 81 Cb 0.82 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1qck h LEU 81 CO 0.05 1.29 0.12 -0.09 0.09 0.00 0.00 178.44 179.90 1qck h ARG 82 N 0.74 1.11 -0.45 1.13 2.43 0.08 -2.54 114.38 116.89 1qck h ARG 82 Ca 0.05 -0.29 -0.14 0.00 -0.81 0.00 0.00 59.98 58.78 1qck h ARG 82 Cb 1.04 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1qck h ARG 82 CO 0.10 1.01 -0.27 0.93 -1.51 0.00 0.00 179.97 180.24 1qck h GLU 83 N 1.04 0.96 -0.77 0.20 5.08 -0.51 -1.76 114.58 118.82 1qck h GLU 83 Ca 0.21 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1qck h GLU 83 Cb 0.43 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1qck h GLU 83 CO 0.01 1.10 0.50 2.35 -1.00 0.00 0.00 179.01 181.97 1qck h TRP 84 N 0.82 0.98 -0.99 4.33 7.01 -1.29 -1.31 115.95 125.50 1qck h TRP 84 Ca 0.10 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.12 1qck h TRP 84 Cb 0.85 -0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.53 1qck h TRP 84 CO 0.05 0.63 0.65 0.00 -2.79 0.00 0.00 178.44 176.98 1qck h ASP 86 N 1.35 0.45 0.26 0.00 3.32 -0.35 2.12 116.42 123.56 1qck h ASP 86 Ca 0.36 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 57.07 1qck h ASP 86 Cb -0.14 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1qck h ASP 86 CO -0.08 0.32 -1.96 0.00 -1.72 0.00 0.00 179.24 175.81 1qck n ALA 87 N -2.48 1.27 0.31 3.45 0.00 -0.55 -4.39 120.51 118.11 1qck n ALA 87 Ca 0.04 -0.79 0.07 0.00 0.00 0.00 0.00 53.44 52.75 1qck n ALA 87 Cb 0.09 -0.65 0.09 0.00 0.00 0.00 0.00 19.45 18.99 1qck n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qck n PHE 88 N -3.19 0.17 -1.14 0.00 3.72 0.16 -5.11 117.46 112.06 1qck n PHE 88 Ca -0.27 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1qck n PHE 88 Cb 1.06 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60