#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 4.37 0.57 3.17 2.01 -1.26 -5.03 115.64 119.48 1qck s THR 2 Ca 0.00 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.69 1qck s THR 2 Cb 0.00 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.46 1qck s THR 2 CO 0.00 -0.00 0.80 0.42 -0.69 0.00 0.00 174.62 175.15 1qck s THR 3 N 2.20 2.61 0.81 -0.82 -4.23 -1.26 -5.09 115.64 109.87 1qck s THR 3 Ca 0.54 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.31 1qck s THR 3 Cb -0.23 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1qck s THR 3 CO 0.21 0.00 1.18 -0.55 -0.54 0.00 0.00 174.62 174.92 1qck s SER 4 N -4.44 4.49 0.66 3.99 0.15 -1.26 -4.90 113.70 112.39 1qck s SER 4 Ca 0.58 0.78 0.34 0.00 0.70 0.00 0.00 55.95 58.35 1qck s SER 4 Cb -0.10 -1.27 1.86 0.00 -1.71 0.00 0.00 66.02 64.80 1qck s SER 4 CO 0.39 -1.92 2.06 1.56 1.20 0.00 0.00 173.24 176.54 1qck h GLN 5 N -1.06 0.00 -0.76 5.44 4.20 -2.01 -0.64 115.11 120.28 1qck h GLN 5 Ca -0.46 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.26 1qck h GLN 5 Cb 1.33 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1qck h GLN 5 CO 0.66 0.00 0.50 0.87 -0.67 0.00 0.00 178.83 180.19 1qck h LYS 6 N 0.00 1.00 -0.00 1.46 1.79 -1.95 0.12 116.57 118.99 1qck h LYS 6 Ca 0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1qck h LYS 6 Cb 0.48 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1qck h LYS 6 CO -0.00 0.66 -0.00 1.25 -1.08 0.00 0.00 179.45 180.28 1qck h HIS 7 N 1.03 -0.00 -0.19 -1.35 2.76 -1.45 0.30 115.15 116.24 1qck h HIS 7 Ca 0.28 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1qck h HIS 7 Cb -0.12 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1qck h HIS 7 CO 0.00 -0.00 -0.45 0.00 -1.30 0.00 0.00 177.93 176.17 1qck h ARG 8 N -0.00 0.48 -0.52 5.26 2.47 -1.63 -2.69 114.38 117.75 1qck h ARG 8 Ca 0.00 -0.26 -0.13 0.00 -1.26 0.00 0.00 59.98 58.33 1qck h ARG 8 Cb 0.00 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1qck h ARG 8 CO -0.00 0.84 -0.17 -0.44 0.56 0.00 0.00 179.97 180.76 1qck h ASP 9 N 0.39 1.04 -0.07 7.04 3.32 -0.68 -1.28 116.42 126.18 1qck h ASP 9 Ca 0.03 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 1qck h ASP 9 Cb 0.95 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1qck h ASP 9 CO 0.08 1.18 0.03 0.15 -1.72 0.00 0.00 179.24 178.96 1qck h PHE 10 N 0.90 0.11 -0.12 4.55 3.57 -0.28 -2.48 116.94 123.18 1qck h PHE 10 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1qck h PHE 10 Cb 0.75 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1qck h PHE 10 CO 0.05 0.25 0.00 1.33 -2.23 0.00 0.00 178.31 177.71 1qck n VAL 11 N -4.94 0.16 0.42 1.41 0.24 -1.03 -3.40 118.33 111.21 1qck n VAL 11 Ca -0.06 -0.17 0.09 0.00 -2.04 0.00 0.00 64.34 62.16 1qck n VAL 11 Cb 0.12 0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.15 3.53 -3.13 2.33 0.00 -0.49 -4.96 120.51 117.65 1qck n ALA 12 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1qck n ALA 12 Cb 0.12 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.01 0.91 0.53 0.00 -1.05 -1.16 -5.06 118.70 109.87 1qck s GLU 13 Ca -0.00 -0.40 -0.15 0.00 -0.15 0.00 0.00 54.97 54.27 1qck s GLU 13 Cb 0.13 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 34.10 1qck s GLU 13 CO 0.76 -0.31 -0.26 -2.30 0.95 0.00 0.00 175.26 174.10 1qck n PRO 14 N 0.48 0.00 0.07 -4.83 -0.02 -1.26 -4.80 135.00 124.63 1qck n PRO 14 Ca -0.18 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1qck n PRO 14 Cb 0.60 -0.84 -0.04 0.00 -0.02 0.00 0.00 33.50 33.20 1qck n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qck h MET 15 N -0.22 0.00 0.00 -0.52 -0.00 -1.97 -3.49 114.93 108.72 1qck h MET 15 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.35 1qck h MET 15 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1qck h MET 15 CO 0.31 0.17 0.00 0.41 -0.00 0.00 0.00 176.91 177.80 1qck n GLY 16 N 1.30 2.26 2.32 -3.00 0.00 -1.26 -2.51 105.19 104.29 1qck n GLY 16 Ca -0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 3.20 -1.80 1.61 1.02 -1.26 -4.72 120.64 132.68 1qck n GLU 17 Ca 0.00 -3.89 -0.38 0.00 -0.02 0.00 0.00 57.16 52.87 1qck n GLU 17 Cb 0.00 -2.28 0.05 0.00 -0.02 0.00 0.00 31.44 29.19 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 -3.72 2.94 0.79 3.49 1.02 -1.04 -4.83 119.74 118.38 1qck s LYS 18 Ca 0.55 2.13 -0.14 0.00 0.02 0.00 0.00 55.97 58.52 1qck s LYS 18 Cb 0.44 -2.09 0.06 0.00 -0.52 0.00 0.00 37.83 35.72 1qck s LYS 18 CO -0.08 -1.32 1.12 -0.35 -0.92 0.00 0.00 175.35 173.81 1qck n PRO 19 N -1.37 0.29 -0.19 -1.68 -0.04 -1.26 -2.38 135.00 128.37 1qck n PRO 19 Ca 0.12 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1qck n PRO 19 Cb 0.47 -2.37 0.45 0.00 -0.04 0.00 0.00 33.50 32.00 1qck n PRO 19 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1qck h VAL 20 N -0.70 0.83 0.00 0.52 3.04 -1.78 0.23 116.25 118.40 1qck h VAL 20 Ca -0.47 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1qck h VAL 20 Cb 1.31 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1qck h VAL 20 CO 0.46 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.73 1qck n GLY 21 N -1.49 -0.74 0.12 3.17 0.00 -1.26 -2.89 105.19 102.10 1qck n GLY 21 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1qck n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qck h SER 22 N 0.00 0.00 -3.76 1.61 4.64 -0.78 -3.43 113.55 111.83 1qck h SER 22 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1qck h SER 22 Cb 0.02 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.21 1qck h SER 22 CO 0.00 0.58 0.81 -0.76 -0.87 0.00 0.00 176.83 176.59 1qck s LEU 23 N -6.33 4.33 0.25 5.97 1.43 -1.14 -4.90 118.68 118.29 1qck s LEU 23 Ca 0.02 3.01 -0.30 0.00 -1.03 0.00 0.00 54.13 55.82 1qck s LEU 23 Cb 0.08 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 1qck s LEU 23 CO 0.77 -0.87 1.50 0.00 0.23 0.00 0.00 176.35 177.98 1qck s ALA 24 N -0.78 3.68 0.00 4.21 0.00 -1.26 -1.89 121.76 125.71 1qck s ALA 24 Ca 0.56 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1qck s ALA 24 Cb -0.47 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1qck s ALA 24 CO 0.58 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1qck n GLY 25 N 2.37 3.37 3.53 0.00 0.00 -1.26 -3.41 105.19 109.77 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 -2.79 5.23 0.63 -0.61 -1.09 -0.79 -4.85 121.20 116.92 1qck s ILE 26 Ca 0.00 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1qck s ILE 26 Cb 0.00 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 37.21 1qck s ILE 26 CO 0.00 -0.08 0.87 0.61 -1.23 0.00 0.00 174.94 175.11 1qck n GLY 27 N 5.05 1.21 0.37 6.18 0.00 -1.26 -4.60 105.19 112.15 1qck n GLY 27 Ca -0.11 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 1.21 -0.17 1.61 4.39 -1.98 0.22 114.58 119.86 1qck h GLU 28 Ca -0.29 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1qck h GLU 28 Cb 1.17 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1qck h GLU 28 CO 0.35 0.80 0.04 0.28 -1.16 0.00 0.00 179.01 179.32 1qck h VAL 29 N 1.24 1.21 -0.42 3.13 2.07 -2.01 -2.63 116.25 118.84 1qck h VAL 29 Ca 0.41 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1qck h VAL 29 Cb 0.06 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1qck h VAL 29 CO -0.14 0.20 -0.01 -0.07 0.02 0.00 0.00 177.57 177.56 1qck h LEU 30 N 0.08 0.65 -1.01 2.57 3.38 -1.79 -2.48 115.31 116.71 1qck h LEU 30 Ca 0.05 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1qck h LEU 30 Cb 0.27 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1qck h LEU 30 CO 0.00 0.73 0.65 1.23 0.09 0.00 0.00 178.44 181.15 1qck h GLY 31 N 0.94 1.51 1.32 0.83 0.00 -0.33 -1.45 103.07 105.89 1qck h GLY 31 Ca 0.13 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1qck h GLY 31 CO 0.02 0.37 -0.13 0.50 0.00 0.00 0.00 176.54 177.30 1qck h LYS 32 N 1.21 0.80 0.11 4.80 1.57 -1.09 0.91 116.57 124.88 1qck h LYS 32 Ca 0.42 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1qck h LYS 32 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1qck h LYS 32 CO -0.16 0.89 -0.05 0.87 -0.57 0.00 0.00 179.45 180.43 1qck h LYS 33 N 0.72 -0.14 -0.96 3.15 1.57 -1.17 -0.26 116.57 119.48 1qck h LYS 33 Ca 0.12 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1qck h LYS 33 Cb 0.63 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 1qck h LYS 33 CO 0.04 0.22 0.60 -0.07 -0.57 0.00 0.00 179.45 179.68 1qck h LEU 34 N -0.53 1.13 -0.74 2.94 3.38 -1.29 -1.80 115.31 118.40 1qck h LEU 34 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1qck h LEU 34 Cb 0.43 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1qck h LEU 34 CO 0.02 0.85 0.49 -0.08 0.09 0.00 0.00 178.44 179.81 1qck h GLU 35 N 1.31 0.97 0.00 1.13 4.81 -0.66 0.17 114.58 122.32 1qck h GLU 35 Ca 0.35 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1qck h GLU 35 Cb -0.10 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.06 1qck h GLU 35 CO -0.07 0.65 0.00 1.49 -0.73 0.00 0.00 179.01 180.35 1qck h GLU 36 N 1.00 0.00 -0.23 1.92 4.81 -0.23 -0.19 114.58 121.67 1qck h GLU 36 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1qck h GLU 36 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1qck h GLU 36 CO -0.06 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.76 1qck n ARG 37 N -2.95 1.83 -0.06 1.92 5.12 0.48 -4.89 116.66 118.12 1qck n ARG 37 Ca -0.01 -1.26 0.00 0.00 -1.93 0.00 0.00 57.85 54.65 1qck n ARG 37 Cb 0.18 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 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 1.16 0.93 2.99 -0.13 0.00 -0.08 -5.02 105.19 105.03 1qck n GLY 38 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 3.67 1.11 1.61 3.01 -0.55 -4.82 117.46 119.44 1qck n PHE 39 Ca 0.00 -3.61 0.13 0.00 1.01 0.00 0.00 57.45 54.98 1qck n PHE 39 Cb 0.00 -1.16 0.64 0.00 -0.01 0.00 0.00 39.48 38.94 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 1.78 0.00 -4.11 4.37 5.75 -1.26 -3.49 116.55 119.58 1qck n ASP 40 Ca 0.25 0.21 -0.09 0.00 -0.01 0.00 0.00 54.79 55.15 1qck n ASP 40 Cb 0.37 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.80 0.67 0.12 0.11 1.02 -1.26 -3.91 119.74 113.69 1qck s LYS 41 Ca 0.19 -1.19 -0.15 0.00 0.02 0.00 0.00 55.97 54.84 1qck s LYS 41 Cb 0.18 0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1qck s LYS 41 CO 0.46 -0.06 1.55 0.00 -0.92 0.00 0.00 175.35 176.38 1qck h ALA 42 N 3.27 0.52 0.00 5.17 0.00 -1.61 -2.96 119.26 123.66 1qck h ALA 42 Ca -0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qck h ALA 42 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qck h ALA 42 CO 0.62 0.32 0.00 0.10 0.00 0.00 0.00 179.25 180.29 1qck h TYR 43 N 0.51 0.00 0.04 0.00 -0.00 -1.85 0.34 116.97 116.01 1qck h TYR 43 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.61 1qck h TYR 43 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 1qck h TYR 43 CO 0.04 0.00 -1.06 0.28 -0.00 0.00 0.00 178.16 177.42 1qck h VAL 44 N 0.00 1.62 0.08 -0.90 2.07 -1.93 -2.62 116.25 114.57 1qck h VAL 44 Ca 0.00 -3.21 -0.29 0.00 0.82 0.00 0.00 66.70 64.03 1qck h VAL 44 Cb 0.00 2.83 0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1qck h VAL 44 CO 0.00 0.92 -1.17 0.58 0.02 0.00 0.00 177.57 177.92 1qck h VAL 45 N 0.04 1.29 -0.60 2.57 2.07 -0.50 -3.05 116.25 118.07 1qck h VAL 45 Ca -0.05 -2.41 0.01 0.00 0.82 0.00 0.00 66.70 65.06 1qck h VAL 45 Cb 1.80 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 34.13 1qck h VAL 45 CO 0.15 0.74 0.40 0.25 0.02 0.00 0.00 177.57 179.13 1qck h LEU 46 N 0.31 0.69 -0.78 2.57 5.85 -0.81 -1.30 115.31 121.84 1qck h LEU 46 Ca -0.16 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1qck h LEU 46 Cb 1.83 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 1qck h LEU 46 CO 0.22 0.50 0.52 1.23 -0.34 0.00 0.00 178.44 180.57 1qck h GLY 47 N 0.81 1.10 1.00 3.75 0.00 -1.37 -1.10 103.07 107.26 1qck h GLY 47 Ca 0.22 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1qck h GLY 47 CO -0.05 0.40 0.40 -1.61 0.00 0.00 0.00 176.54 175.68 1qck h GLN 48 N 1.05 0.80 -0.96 4.80 5.75 -1.15 0.14 115.11 125.54 1qck h GLN 48 Ca 0.29 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 1qck h GLN 48 Cb -0.12 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.20 1qck h GLN 48 CO -0.06 0.53 0.64 0.35 -2.65 0.00 0.00 178.83 177.63 1qck h PHE 49 N 0.82 1.21 -0.37 3.99 3.57 -1.07 -1.35 116.94 123.74 1qck h PHE 49 Ca 0.22 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 1qck h PHE 49 Cb -0.09 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.23 1qck h PHE 49 CO -0.03 0.76 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.41 1qck h LEU 50 N 1.31 0.86 -1.68 0.59 3.38 -0.34 -2.72 115.31 116.71 1qck h LEU 50 Ca 0.35 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.96 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 1.12 0.00 0.58 0.09 0.00 0.00 178.44 180.15 1qck h VAL 51 N 0.69 0.00 -0.28 1.22 2.07 0.05 -2.78 116.25 117.22 1qck h VAL 51 Ca 0.07 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1qck h VAL 51 Cb 0.88 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1qck h VAL 51 CO 0.08 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.85 1qck n LEU 52 N -3.07 2.22 -2.74 2.57 4.77 -0.58 -4.87 117.00 115.29 1qck n LEU 52 Ca 0.00 -1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 54.71 1qck n LEU 52 Cb 0.27 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1qck n LEU 52 CO 0.26 0.41 -0.11 0.29 -1.33 0.00 0.00 177.39 176.91 1qck n LYS 53 N 0.34 -2.73 -1.55 3.23 5.02 -1.05 0.19 118.16 121.62 1qck n LYS 53 Ca 0.11 0.56 -0.19 0.00 -2.02 0.00 0.00 58.31 56.77 1qck n LYS 53 Cb 0.43 -5.20 -0.08 0.00 -0.02 0.00 0.00 35.03 30.15 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 -3.13 -1.42 -2.09 1.97 5.02 -1.22 -4.88 118.16 112.42 1qck n LYS 54 Ca -0.10 1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 56.87 1qck n LYS 54 Cb 0.59 -5.46 -0.03 0.00 -0.02 0.00 0.00 35.03 30.11 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 -2.60 5.94 0.22 4.39 -1.08 0.13 -4.86 116.67 118.81 1qck s ASP 55 Ca 0.00 1.08 -0.07 0.00 -0.52 0.00 0.00 52.55 53.03 1qck s ASP 55 Cb 0.00 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 39.10 1qck s ASP 55 CO 0.00 -1.71 1.80 -0.08 0.52 0.00 0.00 175.17 175.70 1qck h GLU 56 N 12.54 1.22 -0.53 4.34 4.81 -1.89 -0.54 114.58 134.53 1qck h GLU 56 Ca -0.31 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 1qck h GLU 56 Cb 1.15 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1qck h GLU 56 CO 1.07 0.96 -0.14 -0.44 -0.73 0.00 0.00 179.01 179.73 1qck h ASP 57 N 1.20 1.04 -0.30 1.04 3.32 -1.99 0.27 116.42 121.00 1qck h ASP 57 Ca 0.28 -0.36 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 1qck h ASP 57 Cb 0.17 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1qck h ASP 57 CO -0.03 1.16 -0.46 -0.07 -1.72 0.00 0.00 179.24 178.12 1qck h LEU 58 N 0.91 0.95 -0.56 1.55 3.38 -1.92 -2.08 115.31 117.55 1qck h LEU 58 Ca 0.13 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1qck h LEU 58 Cb 0.71 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1qck h LEU 58 CO 0.05 1.26 0.07 0.15 0.09 0.00 0.00 178.44 180.07 1qck h PHE 59 N 0.70 1.00 0.12 1.13 3.57 -0.88 -0.30 116.94 122.27 1qck h PHE 59 Ca 0.04 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1qck h PHE 59 Cb 1.06 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1qck h PHE 59 CO 0.06 0.89 -0.06 0.00 -2.23 0.00 0.00 178.31 176.97 1qck h ARG 60 N 0.82 -0.15 -0.43 1.11 2.47 -0.32 -0.95 114.38 116.93 1qck h ARG 60 Ca 0.17 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.80 1qck h ARG 60 Cb 0.44 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 1qck h ARG 60 CO 0.01 -0.10 -0.12 0.93 0.56 0.00 0.00 179.97 181.25 1qck h GLU 61 N -0.16 0.78 -0.16 0.04 5.08 -1.30 -1.91 114.58 116.94 1qck h GLU 61 Ca -0.02 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1qck h GLU 61 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1qck h GLU 61 CO 0.03 0.87 0.06 2.35 -1.00 0.00 0.00 179.01 181.32 1qck h TRP 62 N 0.71 0.25 -0.14 4.33 7.01 -0.77 0.40 115.95 127.73 1qck h TRP 62 Ca 0.12 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 1qck h TRP 62 Cb 0.60 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1qck h TRP 62 CO 0.03 0.32 -0.02 1.25 -2.79 0.00 0.00 178.44 177.24 1qck h LEU 63 N 0.10 0.25 -0.12 0.65 5.85 -1.12 0.38 115.31 121.30 1qck h LEU 63 Ca 0.05 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1qck h LEU 63 Cb 0.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1qck h LEU 63 CO -0.00 0.53 0.05 0.50 -0.34 0.00 0.00 178.44 179.18 1qck h LYS 64 N -0.03 0.17 -0.12 1.25 3.64 -1.31 0.21 116.57 120.39 1qck h LYS 64 Ca 0.04 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1qck h LYS 64 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1qck h LYS 64 CO 0.01 0.27 -0.30 0.22 -2.27 0.00 0.00 179.45 177.38 1qck h ASP 65 N 0.04 0.23 0.65 4.20 1.82 -0.18 1.00 116.42 124.17 1qck h ASP 65 Ca 0.04 -0.08 -0.27 0.00 -0.39 0.00 0.00 57.03 56.33 1qck h ASP 65 Cb 0.16 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1qck h ASP 65 CO -0.00 0.53 -1.24 0.74 -1.61 0.00 0.00 179.24 177.66 1qck h THR 66 N 0.20 1.50 0.00 2.25 2.02 0.08 -3.42 112.91 115.55 1qck h THR 66 Ca 0.03 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1qck h THR 66 Cb 0.64 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1qck h THR 66 CO 0.05 0.90 -0.56 0.00 0.37 0.00 0.00 175.52 176.27 1qck n GLY 68 N 1.74 1.03 3.49 0.00 0.00 0.35 -5.01 105.19 106.79 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 -1.90 -1.25 -1.99 4.61 0.00 -1.25 -4.92 120.51 113.81 1qck n ALA 69 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1qck n ALA 69 Cb 0.00 -1.89 0.08 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 -1.44 4.73 0.38 0.00 2.47 -1.26 -4.55 114.94 115.27 1qck s ASN 70 Ca 0.67 -0.26 0.04 0.00 0.42 0.00 0.00 52.86 53.74 1qck s ASN 70 Cb -0.36 -0.32 0.74 0.00 -1.45 0.00 0.00 41.25 39.86 1qck s ASN 70 CO 0.56 -1.57 2.03 0.00 -3.72 0.00 0.00 177.10 174.40 1qck h ALA 71 N -0.27 1.62 -0.15 1.71 0.00 -1.99 -1.53 119.26 118.64 1qck h ALA 71 Ca -0.38 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1qck h ALA 71 Cb 1.28 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1qck h ALA 71 CO 0.45 0.35 -0.78 1.57 0.00 0.00 0.00 179.25 180.84 1qck h LYS 72 N 0.72 0.78 -0.53 0.00 2.10 -2.00 -2.72 116.57 114.91 1qck h LYS 72 Ca 0.20 -0.64 -0.12 0.00 -2.00 0.00 0.00 60.65 58.09 1qck h LYS 72 Cb -0.08 0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 1qck h LYS 72 CO -0.04 1.24 -0.14 1.96 -2.00 0.00 0.00 179.45 180.47 1qck h GLN 73 N 0.53 1.04 -0.35 0.07 1.08 -1.80 -3.03 115.11 112.64 1qck h GLN 73 Ca -0.05 -0.40 -0.14 0.00 -1.45 0.00 0.00 58.65 56.61 1qck h GLN 73 Cb 1.41 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1qck h GLN 73 CO 0.16 1.09 -0.34 0.77 -0.95 0.00 0.00 178.83 179.57 1qck h SER 74 N 0.91 0.81 -0.74 1.46 0.02 -1.33 -2.92 113.55 111.76 1qck h SER 74 Ca 0.13 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1qck h SER 74 Cb 0.72 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1qck h SER 74 CO 0.05 1.08 0.49 0.03 -1.14 0.00 0.00 176.83 177.34 1qck h ARG 75 N 0.65 0.98 -0.47 3.45 3.08 -1.41 -1.23 114.38 119.44 1qck h ARG 75 Ca 0.07 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1qck h ARG 75 Cb 0.88 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1qck h ARG 75 CO 0.08 0.65 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.94 1qck h ASP 76 N 1.01 1.03 -0.40 7.04 3.32 -1.40 -2.73 116.42 124.28 1qck h ASP 76 Ca 0.27 -0.41 -0.15 0.00 0.02 0.00 0.00 57.03 56.76 1qck h ASP 76 Cb -0.11 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1qck h ASP 76 CO -0.06 1.21 -0.35 0.00 -1.72 0.00 0.00 179.24 178.32 1qck h PHE 78 N 0.78 -1.27 -0.25 0.00 3.04 -1.17 0.24 116.94 118.29 1qck h PHE 78 Ca 0.07 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1qck h PHE 78 Cb 0.94 0.43 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 1qck h PHE 78 CO 0.06 -0.77 -0.00 0.78 -2.02 0.00 0.00 178.31 176.36 1qck h GLY 79 N -1.31 0.40 0.55 2.40 0.00 -1.55 0.35 103.07 103.92 1qck h GLY 79 Ca -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1qck h GLY 79 CO 0.19 0.20 -0.07 0.00 0.00 0.00 0.00 176.54 176.86 1qck h LEU 81 N -0.37 0.99 -0.91 0.00 3.38 -0.39 -2.29 115.31 115.72 1qck h LEU 81 Ca 0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1qck h LEU 81 Cb 0.61 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1qck h LEU 81 CO 0.02 1.27 0.51 -0.09 0.09 0.00 0.00 178.44 180.23 1qck h ARG 82 N 0.75 1.27 -0.29 1.13 2.43 -0.29 -2.41 114.38 116.95 1qck h ARG 82 Ca 0.05 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1qck h ARG 82 Cb 1.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1qck h ARG 82 CO 0.10 0.92 -0.45 0.93 -1.51 0.00 0.00 179.97 179.96 1qck h GLU 83 N 1.27 0.76 -0.75 0.20 5.08 -0.80 -2.69 114.58 117.67 1qck h GLU 83 Ca 0.32 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1qck h GLU 83 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1qck h GLU 83 CO -0.05 1.06 0.47 2.35 -1.00 0.00 0.00 179.01 181.83 1qck h TRP 84 N 0.61 0.97 -0.87 4.33 7.01 -1.12 -2.27 115.95 124.61 1qck h TRP 84 Ca 0.04 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1qck h TRP 84 Cb 1.02 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 1qck h TRP 84 CO 0.05 0.64 0.48 0.00 -2.79 0.00 0.00 178.44 176.82 1qck h ASP 86 N 1.22 0.00 0.23 0.00 3.32 -1.08 2.00 116.42 122.11 1qck h ASP 86 Ca 0.31 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.01 1qck h ASP 86 Cb 0.03 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1qck h ASP 86 CO -0.05 0.00 -1.99 0.00 -1.72 0.00 0.00 179.24 175.48 1qck n ALA 87 N -2.51 1.23 0.55 3.45 0.00 -0.65 -4.47 120.51 118.10 1qck n ALA 87 Ca -0.03 -0.79 0.06 0.00 0.00 0.00 0.00 53.44 52.68 1qck n ALA 87 Cb 0.09 -0.63 0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.22 0.00 0.95 0.00 3.01 0.62 -5.12 117.46 113.69 1qck n PHE 88 Ca -0.28 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.29 1qck n PHE 88 Cb 1.05 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.62 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66