#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 3.49 -0.12 2.03 2.01 -1.26 -4.98 115.64 116.81 1qck s THR 2 Ca 0.00 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 1qck s THR 2 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1qck s THR 2 CO 0.00 0.00 0.00 0.42 -0.69 0.00 0.00 174.62 174.35 1qck s THR 3 N 2.39 4.28 0.80 -0.82 -4.23 -1.26 -5.00 115.64 111.80 1qck s THR 3 Ca 0.67 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1qck s THR 3 Cb -0.34 -2.85 0.15 0.00 1.34 0.00 0.00 72.50 70.80 1qck s THR 3 CO 0.28 0.55 1.09 -0.44 -0.54 0.00 0.00 174.62 175.56 1qck s SER 4 N -0.29 3.96 0.60 3.99 0.01 -1.26 -4.91 113.70 115.80 1qck s SER 4 Ca 0.06 -0.22 0.31 0.00 1.31 0.00 0.00 55.95 57.41 1qck s SER 4 Cb -0.12 -0.04 1.87 0.00 0.21 0.00 0.00 66.02 67.93 1qck s SER 4 CO 0.02 -2.14 2.26 1.56 0.41 0.00 0.00 173.24 175.35 1qck h GLN 5 N -0.86 0.00 -0.64 12.44 1.08 -2.01 -1.11 115.11 124.01 1qck h GLN 5 Ca -0.38 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.81 1qck h GLN 5 Cb 1.26 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.65 1qck h GLN 5 CO 0.39 0.00 0.35 0.87 -0.95 0.00 0.00 178.83 179.49 1qck h LYS 6 N 0.00 0.89 0.44 1.46 1.57 -1.95 0.27 116.57 119.24 1qck h LYS 6 Ca 0.00 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1qck h LYS 6 Cb 0.01 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1qck h LYS 6 CO -0.00 0.65 -0.21 1.25 -0.57 0.00 0.00 179.45 180.57 1qck h HIS 7 N 0.89 -0.56 -0.14 -1.35 2.76 -1.55 0.65 115.15 115.86 1qck h HIS 7 Ca 0.23 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.26 1qck h HIS 7 Cb 0.03 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1qck h HIS 7 CO 0.01 -0.35 -0.46 0.00 -1.30 0.00 0.00 177.93 175.83 1qck h ARG 8 N -0.60 0.34 -0.36 5.26 3.08 -1.63 -2.65 114.38 117.83 1qck h ARG 8 Ca -0.06 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 1qck h ARG 8 Cb 0.46 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1qck h ARG 8 CO 0.09 0.74 -0.41 -0.44 -1.07 0.00 0.00 179.97 178.88 1qck h ASP 9 N 0.28 0.97 -0.19 7.04 3.32 -0.74 -2.71 116.42 124.39 1qck h ASP 9 Ca 0.02 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 1qck h ASP 9 Cb 0.92 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1qck h ASP 9 CO 0.08 1.25 0.07 0.15 -1.72 0.00 0.00 179.24 179.06 1qck h PHE 10 N 0.73 0.29 -0.03 4.55 3.57 0.45 -1.94 116.94 124.57 1qck h PHE 10 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1qck h PHE 10 Cb 1.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1qck h PHE 10 CO 0.06 0.36 0.00 1.33 -2.23 0.00 0.00 178.31 177.83 1qck n VAL 11 N -4.83 0.08 0.34 1.41 0.24 -1.01 -3.03 118.33 111.53 1qck n VAL 11 Ca -0.04 -0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.24 1qck n VAL 11 Cb 0.13 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.19 2.97 -3.32 2.33 0.00 -0.74 -4.96 120.51 116.60 1qck n ALA 12 Ca 0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1qck n ALA 12 Cb 0.16 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.85 0.86 1.00 0.00 -1.05 -1.14 -5.07 118.70 111.45 1qck s GLU 13 Ca 0.02 -0.07 -0.24 0.00 -0.15 0.00 0.00 54.97 54.53 1qck s GLU 13 Cb 0.06 0.39 -0.17 0.00 -0.44 0.00 0.00 34.13 33.97 1qck s GLU 13 CO 0.33 -0.26 -1.28 -2.30 0.95 0.00 0.00 175.26 172.70 1qck n PRO 14 N 0.99 -0.05 0.08 -4.83 -0.02 -1.26 -4.81 135.00 125.09 1qck n PRO 14 Ca -0.20 -0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.38 1qck n PRO 14 Cb 0.57 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.98 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 2.32 0.62 0.00 -0.52 0.00 -1.26 -5.02 117.12 113.26 1qck n MET 15 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1qck n MET 15 Cb 0.70 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 1.21 1.67 1.64 3.17 0.00 -1.26 -2.23 105.19 109.39 1qck n GLY 16 Ca -0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 11.88 2.02 -1.76 1.61 1.02 -1.26 -4.76 120.64 129.38 1qck n GLU 17 Ca 0.00 -3.12 -0.37 0.00 -0.02 0.00 0.00 57.16 53.64 1qck n GLU 17 Cb 0.00 -1.98 0.06 0.00 -0.02 0.00 0.00 31.44 29.50 1qck n GLU 17 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qck s LYS 18 N -3.28 2.74 0.78 3.49 1.02 -0.94 -4.85 119.74 118.70 1qck s LYS 18 Ca 0.50 2.12 -0.14 0.00 0.02 0.00 0.00 55.97 58.47 1qck s LYS 18 Cb 0.44 -1.98 0.06 0.00 -0.52 0.00 0.00 37.83 35.84 1qck s LYS 18 CO 0.04 -1.47 1.20 -1.25 -0.92 0.00 0.00 175.35 172.96 1qck s PRO 19 N -3.23 1.85 0.16 -1.68 0.04 -1.26 -2.94 135.00 127.94 1qck s PRO 19 Ca 0.79 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 63.42 1qck s PRO 19 Cb -0.38 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.42 1qck s PRO 19 CO 0.42 -2.05 1.76 -0.24 0.04 0.00 0.00 177.00 176.93 1qck h VAL 20 N -0.67 0.92 0.00 -0.36 3.04 -1.80 -0.87 116.25 116.53 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 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1qck h VAL 20 CO 0.48 0.06 0.07 0.61 -1.01 0.00 0.00 177.57 177.77 1qck n GLY 21 N -1.22 -0.10 0.16 3.17 0.00 -1.26 -0.02 105.19 105.91 1qck n GLY 21 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1qck n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1qck h SER 22 N 0.00 0.00 -3.59 1.61 0.87 -1.43 -3.45 113.55 107.57 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1qck h SER 22 Cb 0.13 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.17 1qck h SER 22 CO 0.00 0.23 0.78 -0.76 -0.53 0.00 0.00 176.83 176.55 1qck s LEU 23 N -6.08 4.36 0.22 2.23 1.43 0.97 -4.92 118.68 116.88 1qck s LEU 23 Ca 0.03 2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.68 1qck s LEU 23 Cb 0.07 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1qck s LEU 23 CO 0.73 -0.78 1.43 0.00 0.23 0.00 0.00 176.35 177.96 1qck s ALA 24 N -0.47 3.62 0.00 4.21 0.00 -1.26 -2.17 121.76 125.69 1qck s ALA 24 Ca 0.57 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1qck s ALA 24 Cb -0.44 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1qck s ALA 24 CO 0.51 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1qck n GLY 25 N 2.54 3.49 3.51 0.00 0.00 -1.26 -3.15 105.19 110.32 1qck n GLY 25 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.98 5.27 0.74 -0.61 -1.09 -0.92 -4.83 121.20 116.78 1qck s ILE 26 Ca 0.00 -0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 1qck s ILE 26 Cb 0.00 -3.80 0.12 0.00 -1.58 0.00 0.00 42.46 37.21 1qck s ILE 26 CO 0.00 -0.12 1.03 -0.83 -1.23 0.00 0.00 174.94 173.79 1qck s GLY 27 N 1.71 1.76 0.26 6.18 0.00 -1.26 -4.69 107.32 111.28 1qck s GLY 27 Ca 0.06 -1.53 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 1qck s GLY 27 CO 0.10 -0.97 1.90 0.83 0.00 0.00 0.00 173.10 174.96 1qck h GLU 28 N -0.66 1.21 -0.12 2.90 5.08 -1.98 0.71 114.58 121.72 1qck h GLU 28 Ca -0.39 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1qck h GLU 28 Cb 1.27 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1qck h GLU 28 CO 0.43 0.80 -0.02 0.28 -1.00 0.00 0.00 179.01 179.50 1qck h VAL 29 N 1.25 1.28 -0.50 3.13 2.07 -2.00 -1.46 116.25 120.01 1qck h VAL 29 Ca 0.41 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 1qck h VAL 29 Cb 0.04 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1qck h VAL 29 CO -0.14 0.26 -0.18 -0.07 0.02 0.00 0.00 177.57 177.47 1qck h LEU 30 N -0.08 1.02 -1.01 2.57 3.38 -1.81 -2.83 115.31 116.56 1qck h LEU 30 Ca 0.03 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1qck h LEU 30 Cb 0.42 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1qck h LEU 30 CO 0.01 1.17 0.66 1.23 0.09 0.00 0.00 178.44 181.60 1qck h GLY 31 N 0.90 1.41 1.03 0.83 0.00 0.48 -2.27 103.07 105.46 1qck h GLY 31 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1qck h GLY 31 CO 0.06 0.52 0.55 1.70 0.00 0.00 0.00 176.54 179.37 1qck h LYS 32 N 1.36 1.28 -0.50 4.80 3.64 -1.02 -2.29 116.57 123.85 1qck h LYS 32 Ca 0.37 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1qck h LYS 32 Cb -0.15 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.38 1qck h LYS 32 CO -0.08 0.91 0.00 0.87 -2.27 0.00 0.00 179.45 178.88 1qck h LYS 33 N 1.30 0.89 -0.97 1.90 1.57 -1.27 -2.69 116.57 117.29 1qck h LYS 33 Ca 0.33 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1qck h LYS 33 Cb -0.03 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1qck h LYS 33 CO -0.06 0.92 0.64 -0.07 -0.57 0.00 0.00 179.45 180.31 1qck h LEU 34 N 0.75 1.11 -1.01 2.94 3.38 -1.18 -1.80 115.31 119.51 1qck h LEU 34 Ca 0.14 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1qck h LEU 34 Cb 0.52 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1qck h LEU 34 CO 0.03 0.81 0.67 -0.33 0.09 0.00 0.00 178.44 179.70 1qck h GLU 35 N 1.31 1.32 0.00 1.13 5.08 -1.11 0.71 114.58 123.03 1qck h GLU 35 Ca 0.35 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1qck h GLU 35 Cb -0.15 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.80 1qck h GLU 35 CO -0.08 0.87 0.00 0.93 -1.00 0.00 0.00 179.01 179.74 1qck h GLU 36 N 1.36 0.00 -0.06 2.33 5.08 -1.06 -1.73 114.58 120.50 1qck h GLU 36 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1qck h GLU 36 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1qck h GLU 36 CO -0.08 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.47 1qck n ARG 37 N -3.00 1.70 0.00 2.33 5.12 0.18 -4.89 116.66 118.10 1qck n ARG 37 Ca 0.00 -1.03 0.00 0.00 -1.93 0.00 0.00 57.85 54.90 1qck n ARG 37 Cb 0.27 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.17 1.12 2.34 -0.13 0.00 -0.65 -5.06 105.19 103.97 1qck n GLY 38 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.12 1.08 0.65 1.61 3.01 -0.84 -4.92 117.46 117.93 1qck n PHE 39 Ca 0.00 -3.77 0.12 0.00 1.01 0.00 0.00 57.45 54.81 1qck n PHE 39 Cb 0.00 -0.36 0.46 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.44 0.38 -4.17 4.37 5.75 -1.26 -3.80 116.55 119.26 1qck n ASP 40 Ca 0.25 0.56 -0.13 0.00 -0.01 0.00 0.00 54.79 55.46 1qck n ASP 40 Cb 0.47 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.81 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 -3.10 0.82 0.19 0.11 -0.14 -1.26 -4.33 119.74 112.03 1qck s LYS 41 Ca 0.09 -1.20 -0.09 0.00 -1.36 0.00 0.00 55.97 53.41 1qck s LYS 41 Cb 0.13 -0.38 0.09 0.00 -1.68 0.00 0.00 37.83 35.98 1qck s LYS 41 CO 0.46 0.04 1.68 0.00 -0.76 0.00 0.00 175.35 176.76 1qck h ALA 42 N 3.38 0.87 0.00 5.17 0.00 -1.72 -2.75 119.26 124.21 1qck h ALA 42 Ca -0.36 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1qck h ALA 42 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1qck h ALA 42 CO 0.57 0.65 0.07 0.10 0.00 0.00 0.00 179.25 180.64 1qck h TYR 43 N 1.01 0.00 0.04 0.00 -0.00 -1.86 0.24 116.97 116.40 1qck h TYR 43 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.70 1qck h TYR 43 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.18 1qck h TYR 43 CO 0.03 0.00 -1.07 0.28 -0.00 0.00 0.00 178.16 177.41 1qck h VAL 44 N 0.00 1.64 -0.01 -0.90 2.07 -1.89 -2.60 116.25 114.57 1qck h VAL 44 Ca 0.00 -3.27 -0.25 0.00 0.82 0.00 0.00 66.70 63.99 1qck h VAL 44 Cb 0.13 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1qck h VAL 44 CO 0.00 0.94 -1.01 0.58 0.02 0.00 0.00 177.57 178.11 1qck h VAL 45 N 0.03 1.31 -0.89 2.57 2.07 -0.68 -2.98 116.25 117.68 1qck h VAL 45 Ca -0.05 -2.30 0.02 0.00 0.82 0.00 0.00 66.70 65.19 1qck h VAL 45 Cb 1.81 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 33.92 1qck h VAL 45 CO 0.15 0.70 0.59 0.25 0.02 0.00 0.00 177.57 179.28 1qck h LEU 46 N 0.35 1.00 -0.57 2.57 5.85 -1.19 -1.73 115.31 121.59 1qck h LEU 46 Ca -0.11 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1qck h LEU 46 Cb 1.65 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 1qck h LEU 46 CO 0.19 0.72 0.20 1.23 -0.34 0.00 0.00 178.44 180.44 1qck h GLY 47 N 1.18 0.78 1.01 3.75 0.00 -1.31 -1.19 103.07 107.29 1qck h GLY 47 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1qck h GLY 47 CO -0.08 -0.02 0.49 -1.61 0.00 0.00 0.00 176.54 175.33 1qck h GLN 48 N 0.38 0.99 -1.00 4.80 5.75 -1.26 0.11 115.11 124.87 1qck h GLN 48 Ca 0.29 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1qck h GLN 48 Cb 0.34 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.62 1qck h GLN 48 CO -0.29 0.66 0.66 0.35 -2.65 0.00 0.00 178.83 177.55 1qck h PHE 49 N 1.02 1.26 -0.31 3.99 3.57 -1.02 -1.14 116.94 124.31 1qck h PHE 49 Ca 0.27 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.64 1qck h PHE 49 Cb -0.11 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.19 1qck h PHE 49 CO -0.02 0.80 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.36 1qck h LEU 50 N 1.36 0.84 -1.85 0.59 3.38 -0.45 -2.75 115.31 116.43 1qck h LEU 50 Ca 0.37 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1qck h LEU 50 Cb -0.15 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 1qck h LEU 50 CO -0.08 1.15 -0.08 0.58 0.09 0.00 0.00 178.44 180.10 1qck h VAL 51 N 0.63 0.31 -0.33 1.22 2.07 0.13 -2.29 116.25 117.99 1qck h VAL 51 Ca 0.04 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1qck h VAL 51 Cb 1.00 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1qck h VAL 51 CO 0.10 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1qck n LEU 52 N -3.35 3.29 -2.38 2.57 4.77 -0.52 -4.86 117.00 116.51 1qck n LEU 52 Ca -0.01 -1.67 -0.13 0.00 -0.03 0.00 0.00 56.01 54.18 1qck n LEU 52 Cb 0.26 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1qck n LEU 52 CO 0.28 0.47 -0.16 0.29 -1.33 0.00 0.00 177.39 176.94 1qck n LYS 53 N 0.42 -2.15 -1.60 3.23 5.02 -0.86 0.20 118.16 122.41 1qck n LYS 53 Ca 0.15 0.62 -0.21 0.00 -2.02 0.00 0.00 58.31 56.85 1qck n LYS 53 Cb 0.68 -5.20 -0.09 0.00 -0.02 0.00 0.00 35.03 30.40 1qck n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qck n LYS 54 N -2.76 -1.46 -2.08 1.97 5.02 -1.06 -4.90 118.16 112.90 1qck n LYS 54 Ca -0.15 1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.94 1qck n LYS 54 Cb 0.60 -5.62 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 1qck n LYS 54 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qck s ASP 55 N -2.77 6.32 0.24 4.39 -1.08 0.13 -4.87 116.67 119.03 1qck s ASP 55 Ca 0.00 1.64 -0.06 0.00 -0.52 0.00 0.00 52.55 53.60 1qck s ASP 55 Cb 0.00 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.17 1qck s ASP 55 CO 0.00 -1.30 1.90 -0.08 0.52 0.00 0.00 175.17 176.20 1qck h GLU 56 N 11.00 1.30 -0.51 4.34 4.81 -1.90 -1.90 114.58 131.72 1qck h GLU 56 Ca -0.34 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 1qck h GLU 56 Cb 1.16 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1qck h GLU 56 CO 1.00 0.90 -0.16 -0.44 -0.73 0.00 0.00 179.01 179.58 1qck h ASP 57 N 1.32 1.00 -0.29 1.04 3.32 -1.98 -1.19 116.42 119.65 1qck h ASP 57 Ca 0.35 -0.35 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1qck h ASP 57 Cb -0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1qck h ASP 57 CO -0.07 1.14 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.10 1qck h LEU 58 N 0.87 0.91 -0.45 1.55 3.38 -1.89 -2.56 115.31 117.11 1qck h LEU 58 Ca 0.13 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1qck h LEU 58 Cb 0.72 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1qck h LEU 58 CO 0.06 1.20 0.11 0.15 0.09 0.00 0.00 178.44 180.04 1qck h PHE 59 N 0.68 0.76 -0.00 1.13 3.57 -1.21 -0.98 116.94 120.89 1qck h PHE 59 Ca 0.05 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qck h PHE 59 Cb 0.99 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1qck h PHE 59 CO 0.06 0.70 0.00 0.00 -2.23 0.00 0.00 178.31 176.84 1qck h ARG 60 N 0.60 0.01 -0.57 1.11 3.08 -1.13 0.74 114.38 118.22 1qck h ARG 60 Ca 0.14 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1qck h ARG 60 Cb 0.33 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1qck h ARG 60 CO 0.00 0.01 0.01 0.93 -1.07 0.00 0.00 179.97 179.84 1qck h GLU 61 N 0.00 0.98 -0.04 0.04 4.39 -1.42 -0.54 114.58 117.99 1qck h GLU 61 Ca 0.00 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1qck h GLU 61 Cb 0.00 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1qck h GLU 61 CO -0.00 0.96 0.01 2.35 -1.16 0.00 0.00 179.01 181.17 1qck h TRP 62 N 0.90 0.06 -0.16 4.33 7.01 -0.84 0.51 115.95 127.77 1qck h TRP 62 Ca 0.17 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1qck h TRP 62 Cb 0.51 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1qck h TRP 62 CO 0.03 0.26 -0.02 1.25 -2.79 0.00 0.00 178.44 177.17 1qck h LEU 63 N -0.15 0.29 -0.39 0.65 5.85 -0.79 0.49 115.31 121.26 1qck h LEU 63 Ca 0.01 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1qck h LEU 63 Cb 0.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1qck h LEU 63 CO -0.00 0.56 0.08 0.50 -0.34 0.00 0.00 178.44 179.25 1qck h LYS 64 N 0.01 0.63 -0.04 1.25 3.64 -1.09 0.15 116.57 121.12 1qck h LYS 64 Ca 0.04 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1qck h LYS 64 Cb 0.43 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1qck h LYS 64 CO 0.01 0.67 -0.47 0.22 -2.27 0.00 0.00 179.45 177.61 1qck h ASP 65 N 0.49 0.10 0.61 4.20 1.82 0.09 0.56 116.42 124.29 1qck h ASP 65 Ca 0.12 -0.04 -0.26 0.00 -0.39 0.00 0.00 57.03 56.45 1qck h ASP 65 Cb 0.33 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1qck h ASP 65 CO 0.00 0.56 -1.18 0.74 -1.61 0.00 0.00 179.24 177.75 1qck h THR 66 N 0.07 1.50 0.00 2.25 2.02 0.32 -3.42 112.91 115.65 1qck h THR 66 Ca 0.00 -2.99 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1qck h THR 66 Cb 0.86 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1qck h THR 66 CO 0.07 0.87 -0.48 0.00 0.37 0.00 0.00 175.52 176.35 1qck n GLY 68 N 1.69 1.22 3.47 0.00 0.00 0.20 -5.02 105.19 106.73 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 -1.40 -1.63 -1.95 4.61 0.00 -1.26 -4.94 120.51 113.94 1qck n ALA 69 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 1qck n ALA 69 Cb 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 19.45 17.64 1qck n ALA 69 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qck s ASN 70 N -1.58 5.05 0.41 0.00 2.47 -1.26 -4.61 114.94 115.41 1qck s ASN 70 Ca 0.64 0.23 0.08 0.00 0.42 0.00 0.00 52.86 54.24 1qck s ASN 70 Cb -0.32 -1.00 0.85 0.00 -1.45 0.00 0.00 41.25 39.32 1qck s ASN 70 CO 0.59 -1.37 2.01 0.00 -3.72 0.00 0.00 177.10 174.61 1qck h ALA 71 N -0.27 1.65 -0.37 1.71 0.00 -1.99 -2.46 119.26 117.52 1qck h ALA 71 Ca -0.43 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1qck h ALA 71 Cb 1.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qck h ALA 71 CO 0.56 0.28 -0.41 -0.22 0.00 0.00 0.00 179.25 179.47 1qck h LYS 72 N 0.43 0.94 -0.01 0.00 3.64 -2.02 -3.00 116.57 116.55 1qck h LYS 72 Ca 0.11 -0.51 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1qck h LYS 72 Cb 0.09 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1qck h LYS 72 CO -0.01 1.16 -0.24 1.96 -2.27 0.00 0.00 179.45 180.05 1qck h GLN 73 N 0.75 0.01 -0.43 1.90 1.08 -1.77 -2.82 115.11 113.83 1qck h GLN 73 Ca 0.05 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.11 1qck h GLN 73 Cb 1.01 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 1qck h GLN 73 CO 0.10 0.25 -0.29 0.66 -0.95 0.00 0.00 178.83 178.61 1qck h SER 74 N 0.01 0.99 -0.79 1.46 4.64 -1.33 -2.49 113.55 116.04 1qck h SER 74 Ca -0.00 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1qck h SER 74 Cb 0.43 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1qck h SER 74 CO 0.03 1.20 0.53 0.03 -0.87 0.00 0.00 176.83 177.74 1qck h ARG 75 N 0.80 1.04 -0.39 4.77 -0.00 -1.48 0.80 114.38 119.92 1qck h ARG 75 Ca 0.09 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.98 59.35 1qck h ARG 75 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 30.59 1qck h ARG 75 CO 0.08 0.69 -0.38 -0.44 0.00 0.00 0.00 179.97 179.92 1qck h ASP 76 N 1.08 1.01 -0.36 7.04 3.32 -1.48 -2.16 116.42 124.87 1qck h ASP 76 Ca 0.29 -0.46 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 1qck h ASP 76 Cb -0.12 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.14 1qck h ASP 76 CO -0.06 1.26 -0.40 0.00 -1.72 0.00 0.00 179.24 178.32 1qck h PHE 78 N 0.72 -1.13 -0.28 0.00 3.57 -0.78 0.50 116.94 119.54 1qck h PHE 78 Ca 0.05 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1qck h PHE 78 Cb 1.00 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 1qck h PHE 78 CO 0.07 -0.70 0.10 0.78 -2.23 0.00 0.00 178.31 176.33 1qck h GLY 79 N -1.23 0.42 0.67 2.40 0.00 -1.46 0.68 103.07 104.55 1qck h GLY 79 Ca -0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1qck h GLY 79 CO 0.20 0.18 -0.16 0.00 0.00 0.00 0.00 176.54 176.76 1qck h LEU 81 N -0.16 0.89 -0.80 0.00 3.38 0.34 -2.25 115.31 116.71 1qck h LEU 81 Ca 0.01 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1qck h LEU 81 Cb 0.73 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1qck h LEU 81 CO 0.04 1.29 0.36 -0.09 0.09 0.00 0.00 178.44 180.12 1qck h ARG 82 N 0.52 1.17 -0.31 1.13 2.43 0.34 -1.82 114.38 117.85 1qck h ARG 82 Ca -0.00 -0.19 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 1qck h ARG 82 Cb 1.17 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1qck h ARG 82 CO 0.12 0.92 -0.44 0.93 -1.51 0.00 0.00 179.97 180.00 1qck h GLU 83 N 1.14 0.78 -0.20 0.20 5.08 -0.99 -1.55 114.58 119.04 1qck h GLU 83 Ca 0.27 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1qck h GLU 83 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1qck h GLU 83 CO -0.03 1.06 0.11 2.35 -1.00 0.00 0.00 179.01 181.50 1qck h TRP 84 N 0.63 0.27 -1.00 4.33 7.01 -1.14 -2.35 115.95 123.71 1qck h TRP 84 Ca 0.04 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.05 1qck h TRP 84 Cb 1.01 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.93 1qck h TRP 84 CO 0.06 0.25 0.66 0.00 -2.79 0.00 0.00 178.44 176.61 1qck h ASP 86 N 1.35 0.00 0.20 0.00 3.32 -0.80 2.29 116.42 122.78 1qck h ASP 86 Ca 0.37 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.07 1qck h ASP 86 Cb -0.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1qck h ASP 86 CO -0.08 0.00 -2.08 0.00 -1.72 0.00 0.00 179.24 175.36 1qck n ALA 87 N -2.54 1.36 0.56 3.45 0.00 -0.27 -4.50 120.51 118.57 1qck n ALA 87 Ca -0.02 -0.94 0.06 0.00 0.00 0.00 0.00 53.44 52.54 1qck n ALA 87 Cb 0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.09 0.00 1.07 0.00 3.01 0.22 -5.11 117.46 113.57 1qck n PHE 88 Ca -0.29 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.29 1qck n PHE 88 Cb 1.07 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.70 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66