#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 4.53 0.35 2.03 2.01 -1.26 -5.03 115.64 118.27 1qck s THR 2 Ca 0.00 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.70 1qck s THR 2 Cb 0.00 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1qck s THR 2 CO 0.00 -0.79 0.50 0.42 -0.69 0.00 0.00 174.62 174.05 1qck s THR 3 N 3.60 4.17 0.89 -0.82 -4.23 -1.26 -5.09 115.64 112.90 1qck s THR 3 Ca 0.35 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 1qck s THR 3 Cb -0.11 -3.46 0.12 0.00 1.34 0.00 0.00 72.50 70.39 1qck s THR 3 CO 0.25 -0.20 1.09 -0.55 -0.54 0.00 0.00 174.62 174.67 1qck s SER 4 N -4.16 3.54 0.57 3.99 0.15 -1.26 -4.88 113.70 111.66 1qck s SER 4 Ca 0.45 1.49 0.27 0.00 0.70 0.00 0.00 55.95 58.85 1qck s SER 4 Cb -0.10 -2.17 1.65 0.00 -1.71 0.00 0.00 66.02 63.69 1qck s SER 4 CO 0.32 -2.59 2.18 -0.61 1.20 0.00 0.00 173.24 173.73 1qck h GLN 5 N -1.52 0.00 -0.60 5.44 4.15 -2.01 -1.27 115.11 119.30 1qck h GLN 5 Ca -0.49 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.93 1qck h GLN 5 Cb 1.28 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 1qck h GLN 5 CO 0.55 0.00 0.40 0.87 -1.93 0.00 0.00 178.83 178.71 1qck h LYS 6 N 0.00 0.80 -0.06 1.69 1.57 -1.92 -0.61 116.57 118.04 1qck h LYS 6 Ca 0.04 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1qck h LYS 6 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1qck h LYS 6 CO -0.00 0.53 -0.01 1.25 -0.57 0.00 0.00 179.45 180.65 1qck h HIS 7 N 0.82 -0.03 -0.11 -1.35 2.76 -1.56 0.44 115.15 116.12 1qck h HIS 7 Ca 0.22 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 1qck h HIS 7 Cb -0.09 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1qck h HIS 7 CO 0.00 -0.03 -0.47 0.00 -1.30 0.00 0.00 177.93 176.13 1qck h ARG 8 N -0.00 0.27 -0.60 5.26 2.47 -1.58 -2.97 114.38 117.23 1qck h ARG 8 Ca 0.03 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.50 1qck h ARG 8 Cb 0.04 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1qck h ARG 8 CO -0.06 0.69 -0.03 -0.44 0.56 0.00 0.00 179.97 180.69 1qck h ASP 9 N 0.22 1.06 -0.08 7.04 3.32 -0.63 0.26 116.42 127.61 1qck h ASP 9 Ca 0.01 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1qck h ASP 9 Cb 0.92 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1qck h ASP 9 CO 0.07 1.12 0.03 0.15 -1.72 0.00 0.00 179.24 178.90 1qck h PHE 10 N 0.97 0.12 -0.15 4.55 3.57 -0.79 -2.82 116.94 122.38 1qck h PHE 10 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1qck h PHE 10 Cb 0.60 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1qck h PHE 10 CO 0.04 0.22 0.00 1.33 -2.23 0.00 0.00 178.31 177.67 1qck n VAL 11 N -4.95 0.19 0.12 1.41 0.24 -1.13 -3.80 118.33 110.42 1qck n VAL 11 Ca -0.06 -0.30 0.11 0.00 -2.04 0.00 0.00 64.34 62.05 1qck n VAL 11 Cb 0.10 0.27 -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 0.17 2.93 -3.35 2.33 0.00 0.89 -4.98 120.51 118.51 1qck n ALA 12 Ca 0.15 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.98 1qck n ALA 12 Cb 0.29 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.43 0.96 0.58 0.00 4.04 -1.15 -5.05 118.70 114.64 1qck s GLU 13 Ca -0.05 -0.08 -0.13 0.00 0.04 0.00 0.00 54.97 54.75 1qck s GLU 13 Cb 0.13 0.44 -0.12 0.00 0.02 0.00 0.00 34.13 34.61 1qck s GLU 13 CO 0.88 -0.32 -0.36 -2.30 -1.84 0.00 0.00 175.26 171.32 1qck n PRO 14 N 0.75 0.00 0.06 -4.83 -0.02 -1.26 -4.72 135.00 124.98 1qck n PRO 14 Ca -0.19 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.34 1qck n PRO 14 Cb 0.58 -0.77 -0.05 0.00 -0.02 0.00 0.00 33.50 33.24 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 1.55 0.62 0.00 -0.52 0.00 -1.26 -4.98 117.12 112.53 1qck n MET 15 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.87 1qck n MET 15 Cb 0.40 -1.79 0.00 0.00 0.00 0.00 0.00 33.22 31.82 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 1.30 2.40 1.34 3.17 0.00 -1.26 -2.49 105.19 109.65 1qck n GLY 16 Ca -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 2.11 -1.68 1.61 1.02 -1.26 -4.72 120.64 131.72 1qck n GLU 17 Ca 0.00 -3.11 -0.38 0.00 -0.02 0.00 0.00 57.16 53.65 1qck n GLU 17 Cb 0.00 -1.90 0.05 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.02 1.22 -0.76 3.49 4.01 -1.04 -4.81 118.16 119.25 1qck n LYS 18 Ca 0.37 0.46 -0.32 0.00 -0.51 0.00 0.00 58.31 58.31 1qck n LYS 18 Cb 1.14 -2.38 0.15 0.00 -0.51 0.00 0.00 35.03 33.44 1qck n LYS 18 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1qck n PRO 19 N -1.18 -0.33 -0.03 1.97 -0.04 -1.26 -3.13 135.00 131.00 1qck n PRO 19 Ca 0.13 -0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 1qck n PRO 19 Cb 0.46 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.68 1.02 0.00 0.52 3.04 -1.79 -1.57 116.25 115.80 1qck h VAL 20 Ca -0.44 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1qck h VAL 20 Cb 1.28 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1qck h VAL 20 CO 0.40 0.04 0.03 0.61 -1.01 0.00 0.00 177.57 177.64 1qck n GLY 21 N -1.14 -0.06 0.11 3.17 0.00 -1.26 -0.46 105.19 105.55 1qck n GLY 21 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.60 1.61 4.64 -1.55 -3.44 113.55 111.21 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1qck h SER 22 Cb 0.07 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.25 1qck h SER 22 CO 0.00 0.64 0.84 -0.76 -0.87 0.00 0.00 176.83 176.68 1qck s LEU 23 N -6.30 4.33 0.20 5.97 1.43 0.40 -4.87 118.68 119.84 1qck s LEU 23 Ca 0.01 2.99 -0.31 0.00 -1.03 0.00 0.00 54.13 55.79 1qck s LEU 23 Cb 0.08 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 1qck s LEU 23 CO 0.78 -0.89 1.46 0.00 0.23 0.00 0.00 176.35 177.93 1qck s ALA 24 N -0.50 3.66 0.00 4.21 0.00 -1.26 -2.01 121.76 125.86 1qck s ALA 24 Ca 0.58 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1qck s ALA 24 Cb -0.47 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1qck s ALA 24 CO 0.55 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1qck n GLY 25 N 2.90 2.83 3.48 0.00 0.00 -1.26 -2.91 105.19 110.23 1qck n GLY 25 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.81 4.99 0.69 -0.61 -1.09 -0.85 -4.74 121.20 116.78 1qck s ILE 26 Ca 0.00 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1qck s ILE 26 Cb 0.00 -3.59 0.12 0.00 -1.58 0.00 0.00 42.46 37.41 1qck s ILE 26 CO 0.00 -0.03 0.96 -0.83 -1.23 0.00 0.00 174.94 173.81 1qck s GLY 27 N 1.67 1.76 0.25 6.18 0.00 -1.26 -4.66 107.32 111.26 1qck s GLY 27 Ca 0.05 -1.78 -0.05 0.00 0.00 0.00 0.00 44.72 42.95 1qck s GLY 27 CO 0.09 -1.23 1.91 0.83 0.00 0.00 0.00 173.10 174.69 1qck h GLU 28 N -0.41 1.23 -0.06 2.90 4.39 -1.97 1.19 114.58 121.85 1qck h GLU 28 Ca -0.36 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1qck h GLU 28 Cb 1.27 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1qck h GLU 28 CO 0.41 0.82 -0.00 0.28 -1.16 0.00 0.00 179.01 179.35 1qck h VAL 29 N 1.27 1.25 -0.48 3.13 2.07 -1.99 -0.49 116.25 121.01 1qck h VAL 29 Ca 0.39 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1qck h VAL 29 Cb -0.02 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1qck h VAL 29 CO -0.12 0.21 -0.24 -0.07 0.02 0.00 0.00 177.57 177.38 1qck h LEU 30 N -0.18 1.03 -1.01 2.57 3.38 -1.82 -2.83 115.31 116.46 1qck h LEU 30 Ca 0.02 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1qck h LEU 30 Cb 0.34 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1qck h LEU 30 CO 0.00 1.21 0.67 1.23 0.09 0.00 0.00 178.44 181.64 1qck h GLY 31 N 0.86 1.42 1.03 0.83 0.00 0.15 -2.28 103.07 105.07 1qck h GLY 31 Ca 0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1qck h GLY 31 CO 0.07 0.52 0.52 1.70 0.00 0.00 0.00 176.54 179.35 1qck h LYS 32 N 1.36 1.28 -0.56 4.80 3.11 -0.84 -2.37 116.57 123.35 1qck h LYS 32 Ca 0.37 -0.14 -0.11 0.00 -2.81 0.00 0.00 60.65 57.96 1qck h LYS 32 Cb -0.16 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 30.80 1qck h LYS 32 CO -0.08 0.92 -0.09 0.87 -2.81 0.00 0.00 179.45 178.26 1qck h LYS 33 N 1.29 1.05 -0.78 1.90 1.57 -1.25 -2.61 116.57 117.73 1qck h LYS 33 Ca 0.33 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1qck h LYS 33 Cb -0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1qck h LYS 33 CO -0.06 1.07 0.48 -0.07 -0.57 0.00 0.00 179.45 180.31 1qck h LEU 34 N 0.93 0.93 -0.96 2.94 3.38 -1.18 -1.75 115.31 119.60 1qck h LEU 34 Ca 0.15 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1qck h LEU 34 Cb 0.66 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1qck h LEU 34 CO 0.05 0.70 0.63 -0.33 0.09 0.00 0.00 178.44 179.58 1qck h GLU 35 N 1.07 1.26 0.00 1.13 5.08 -1.06 0.17 114.58 122.23 1qck h GLU 35 Ca 0.28 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1qck h GLU 35 Cb -0.06 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.90 1qck h GLU 35 CO -0.06 0.83 0.00 0.93 -1.00 0.00 0.00 179.01 179.72 1qck h GLU 36 N 1.30 0.00 -0.09 2.33 5.08 -1.10 -1.60 114.58 120.50 1qck h GLU 36 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 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 -2.87 1.70 0.00 2.33 5.12 0.53 -4.90 116.66 118.58 1qck n ARG 37 Ca 0.00 -1.04 0.00 0.00 -1.93 0.00 0.00 57.85 54.88 1qck n ARG 37 Cb 0.24 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 0.87 3.12 -0.13 0.00 -0.60 -5.03 105.19 104.58 1qck n GLY 38 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.55 4.14 0.86 1.61 3.01 -0.79 -4.83 117.46 119.91 1qck n PHE 39 Ca 0.00 -3.69 0.11 0.00 1.01 0.00 0.00 57.45 54.88 1qck n PHE 39 Cb 0.00 -1.34 0.51 0.00 -0.01 0.00 0.00 39.48 38.63 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 2.10 0.00 -4.11 4.37 5.75 -1.26 -3.75 116.55 119.65 1qck n ASP 40 Ca 0.24 0.35 -0.08 0.00 -0.01 0.00 0.00 54.79 55.30 1qck n ASP 40 Cb 0.37 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.89 0.66 0.16 0.11 1.02 -1.26 -4.34 119.74 113.20 1qck s LYS 41 Ca 0.14 -1.24 -0.12 0.00 0.02 0.00 0.00 55.97 54.77 1qck s LYS 41 Cb 0.15 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.63 1qck s LYS 41 CO 0.40 -0.09 1.64 0.00 -0.92 0.00 0.00 175.35 176.37 1qck h ALA 42 N 3.11 0.72 0.00 5.17 0.00 -1.70 -2.83 119.26 123.73 1qck h ALA 42 Ca -0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1qck h ALA 42 Cb 1.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1qck h ALA 42 CO 0.66 0.48 0.06 0.10 0.00 0.00 0.00 179.25 180.55 1qck h TYR 43 N 0.79 0.00 0.07 0.00 -0.00 -1.84 0.19 116.97 116.18 1qck h TYR 43 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.65 1qck h TYR 43 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.16 1qck h TYR 43 CO 0.03 0.00 -1.13 0.28 -0.00 0.00 0.00 178.16 177.34 1qck h VAL 44 N 0.00 1.60 0.01 -0.90 2.07 -1.90 -2.85 116.25 114.28 1qck h VAL 44 Ca 0.00 -3.23 -0.26 0.00 0.82 0.00 0.00 66.70 64.03 1qck h VAL 44 Cb 0.11 2.90 0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1qck h VAL 44 CO 0.00 0.93 -1.04 0.58 0.02 0.00 0.00 177.57 178.06 1qck h VAL 45 N 0.04 1.30 -0.65 2.57 2.07 -0.76 -3.01 116.25 117.81 1qck h VAL 45 Ca -0.08 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 65.14 1qck h VAL 45 Cb 1.88 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 34.03 1qck h VAL 45 CO 0.17 0.71 0.43 0.25 0.02 0.00 0.00 177.57 179.15 1qck h LEU 46 N 0.36 0.74 -0.96 2.57 5.85 -1.20 -1.54 115.31 121.13 1qck h LEU 46 Ca -0.12 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1qck h LEU 46 Cb 1.69 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 1qck h LEU 46 CO 0.20 0.54 0.63 1.23 -0.34 0.00 0.00 178.44 180.70 1qck h GLY 47 N 0.87 1.35 1.01 3.75 0.00 -1.37 -1.93 103.07 106.74 1qck h GLY 47 Ca 0.24 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1qck h GLY 47 CO -0.05 0.49 0.67 -1.61 0.00 0.00 0.00 176.54 176.04 1qck h GLN 48 N 1.30 1.32 -1.00 4.80 5.75 -1.20 -0.10 115.11 125.98 1qck h GLN 48 Ca 0.35 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.78 1qck h GLN 48 Cb -0.15 -0.30 -0.05 0.00 1.07 0.00 0.00 27.48 28.05 1qck h GLN 48 CO -0.08 0.88 0.67 0.35 -2.65 0.00 0.00 178.83 178.00 1qck h PHE 49 N 1.36 1.26 -0.48 3.99 3.57 -1.22 -1.62 116.94 123.80 1qck h PHE 49 Ca 0.37 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.77 1qck h PHE 49 Cb -0.16 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.14 1qck h PHE 49 CO -0.00 0.79 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.59 1qck h LEU 50 N 1.36 1.01 -1.92 0.59 3.38 -0.84 -2.64 115.31 116.25 1qck h LEU 50 Ca 0.37 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1qck h LEU 50 Cb -0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.31 1qck h LEU 50 CO -0.08 1.18 -0.10 0.58 0.09 0.00 0.00 178.44 180.11 1qck h VAL 51 N 0.85 0.47 -0.41 1.22 2.07 -0.16 -2.23 116.25 118.06 1qck h VAL 51 Ca 0.11 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1qck h VAL 51 Cb 0.79 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1qck h VAL 51 CO 0.07 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1qck n LEU 52 N -3.54 3.84 -2.37 2.57 4.77 -0.75 -4.88 117.00 116.64 1qck n LEU 52 Ca -0.02 -1.94 -0.13 0.00 -0.03 0.00 0.00 56.01 53.89 1qck n LEU 52 Cb 0.24 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1qck n LEU 52 CO 0.29 0.54 -0.17 0.29 -1.33 0.00 0.00 177.39 177.02 1qck n LYS 53 N 0.55 -2.12 -1.61 3.23 4.01 -0.84 -0.13 118.16 121.26 1qck n LYS 53 Ca 0.18 0.65 -0.21 0.00 -0.51 0.00 0.00 58.31 58.42 1qck n LYS 53 Cb 0.78 -5.23 -0.09 0.00 -0.51 0.00 0.00 35.03 29.98 1qck n LYS 53 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1qck n LYS 54 N -2.76 -1.46 -2.01 1.97 5.02 -1.02 -4.90 118.16 113.01 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 0.61 -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 -0.51 -0.52 0.00 0.00 177.40 176.37 1qck s ASP 55 N -2.78 6.49 0.19 4.39 1.01 0.81 -4.88 116.67 121.91 1qck s ASP 55 Ca 0.00 2.03 -0.10 0.00 0.71 0.00 0.00 52.55 55.19 1qck s ASP 55 Cb 0.00 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.50 1qck s ASP 55 CO 0.00 -1.10 1.72 -0.08 0.21 0.00 0.00 175.17 175.92 1qck h GLU 56 N 10.28 1.06 -0.39 8.23 4.81 -1.90 -0.75 114.58 135.92 1qck h GLU 56 Ca -0.38 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.46 1qck h GLU 56 Cb 1.17 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1qck h GLU 56 CO 0.97 0.92 -0.38 -0.44 -0.73 0.00 0.00 179.01 179.36 1qck h ASP 57 N 0.99 1.01 -0.38 1.04 5.19 -1.99 -0.96 116.42 121.32 1qck h ASP 57 Ca 0.22 -0.46 -0.16 0.00 -0.62 0.00 0.00 57.03 56.01 1qck h ASP 57 Cb 0.31 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1qck h ASP 57 CO -0.01 1.26 -0.40 -0.07 -3.12 0.00 0.00 179.24 176.90 1qck h LEU 58 N 0.77 1.01 -0.01 1.55 3.38 -1.93 -1.45 115.31 118.64 1qck h LEU 58 Ca 0.06 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1qck h LEU 58 Cb 0.97 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1qck h LEU 58 CO 0.09 1.28 0.00 0.15 0.09 0.00 0.00 178.44 180.05 1qck h PHE 59 N 0.76 0.01 -0.42 1.13 3.57 -1.04 0.12 116.94 121.08 1qck h PHE 59 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1qck h PHE 59 Cb 1.00 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1qck h PHE 59 CO 0.06 0.13 0.27 0.00 -2.23 0.00 0.00 178.31 176.54 1qck h ARG 60 N -0.11 0.55 -0.70 1.11 3.08 -1.14 0.11 114.38 117.29 1qck h ARG 60 Ca 0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1qck h ARG 60 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1qck h ARG 60 CO -0.00 0.39 0.16 0.93 -1.07 0.00 0.00 179.97 180.38 1qck h GLU 61 N 0.56 1.12 -0.08 0.04 4.39 -1.14 -0.42 114.58 119.04 1qck h GLU 61 Ca 0.15 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1qck h GLU 61 Cb -0.04 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1qck h GLU 61 CO -0.03 0.99 0.01 2.35 -1.16 0.00 0.00 179.01 181.17 1qck h TRP 62 N 1.06 0.15 -0.16 4.33 7.01 -0.20 0.25 115.95 128.39 1qck h TRP 62 Ca 0.22 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1qck h TRP 62 Cb 0.38 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1qck h TRP 62 CO 0.03 0.37 -0.04 1.25 -2.79 0.00 0.00 178.44 177.26 1qck h LEU 63 N -0.11 0.31 -0.38 0.65 5.85 -0.70 0.16 115.31 121.08 1qck h LEU 63 Ca 0.02 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1qck h LEU 63 Cb 0.30 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1qck h LEU 63 CO 0.00 0.60 0.23 0.50 -0.34 0.00 0.00 178.44 179.43 1qck h LYS 64 N 0.00 0.52 0.00 1.25 3.64 -1.10 0.01 116.57 120.89 1qck h LYS 64 Ca 0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1qck h LYS 64 Cb 0.47 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1qck h LYS 64 CO 0.02 0.40 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.79 1qck h ASP 65 N 0.50 0.00 0.69 4.20 3.32 -0.89 0.51 116.42 124.75 1qck h ASP 65 Ca 0.14 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.92 1qck h ASP 65 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1qck h ASP 65 CO -0.03 0.37 -1.23 0.74 -1.72 0.00 0.00 179.24 177.37 1qck h THR 66 N 0.00 1.50 0.00 0.35 2.02 0.01 -3.42 112.91 113.37 1qck h THR 66 Ca -0.00 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 64.07 1qck h THR 66 Cb 0.78 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1qck h THR 66 CO 0.05 0.90 -0.47 0.00 0.37 0.00 0.00 175.52 176.37 1qck n GLY 68 N 1.54 1.19 3.50 0.00 0.00 0.18 -5.02 105.19 106.57 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 -1.46 -1.20 -1.97 4.61 0.00 -1.25 -4.96 120.51 114.28 1qck n ALA 69 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1qck n ALA 69 Cb 0.00 -1.90 0.07 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.46 4.85 0.43 0.00 -0.87 -1.26 -4.62 114.94 112.00 1qck s ASN 70 Ca 0.68 -0.08 0.09 0.00 -1.57 0.00 0.00 52.86 51.97 1qck s ASN 70 Cb -0.36 -0.57 0.92 0.00 -0.02 0.00 0.00 41.25 41.21 1qck s ASN 70 CO 0.56 -1.49 2.06 0.00 -2.57 0.00 0.00 177.10 175.66 1qck h ALA 71 N -0.26 1.73 -0.11 0.60 0.00 -2.00 -1.80 119.26 117.43 1qck h ALA 71 Ca -0.40 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 1qck h ALA 71 Cb 1.29 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1qck h ALA 71 CO 0.49 0.23 -0.85 1.57 0.00 0.00 0.00 179.25 180.69 1qck h LYS 72 N 0.43 0.76 -0.53 0.00 2.10 -2.00 -2.86 116.57 114.46 1qck h LYS 72 Ca 0.12 -0.67 -0.12 0.00 -2.00 0.00 0.00 60.65 57.98 1qck h LYS 72 Cb -0.01 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1qck h LYS 72 CO -0.02 1.27 -0.13 1.96 -2.00 0.00 0.00 179.45 180.52 1qck h GLN 73 N 0.50 1.03 -0.40 0.07 1.08 -1.78 -3.02 115.11 112.58 1qck h GLN 73 Ca -0.07 -0.39 -0.11 0.00 -1.45 0.00 0.00 58.65 56.62 1qck h GLN 73 Cb 1.48 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 1qck h GLN 73 CO 0.17 1.08 -0.20 1.03 -0.95 0.00 0.00 178.83 179.96 1qck h SER 74 N 0.91 0.79 -0.71 1.46 0.87 -1.39 -2.79 113.55 112.69 1qck h SER 74 Ca 0.14 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1qck h SER 74 Cb 0.70 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1qck h SER 74 CO 0.05 0.97 0.45 0.03 -0.53 0.00 0.00 176.83 177.80 1qck h ARG 75 N 0.68 0.95 -0.51 2.24 3.08 -1.39 -1.86 114.38 117.58 1qck h ARG 75 Ca 0.10 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1qck h ARG 75 Cb 0.71 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1qck h ARG 75 CO 0.05 0.65 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.99 1qck h ASP 76 N 0.97 1.03 -0.51 7.04 3.32 -1.38 -2.75 116.42 124.15 1qck h ASP 76 Ca 0.26 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 1qck h ASP 76 Cb -0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1qck h ASP 76 CO -0.05 1.17 -0.19 0.00 -1.72 0.00 0.00 179.24 178.46 1qck h PHE 78 N 0.89 -1.28 -0.39 0.00 3.57 -1.24 0.63 116.94 119.12 1qck h PHE 78 Ca 0.12 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1qck h PHE 78 Cb 0.77 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1qck h PHE 78 CO 0.05 -0.77 0.16 0.78 -2.23 0.00 0.00 178.31 176.30 1qck h GLY 79 N -1.32 0.58 0.63 2.40 0.00 -1.53 0.79 103.07 104.60 1qck h GLY 79 Ca -0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1qck h GLY 79 CO 0.20 0.25 -0.15 0.00 0.00 0.00 0.00 176.54 176.84 1qck h LEU 81 N -0.23 0.99 -0.81 0.00 3.38 0.54 -2.26 115.31 116.92 1qck h LEU 81 Ca 0.00 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1qck h LEU 81 Cb 0.72 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1qck h LEU 81 CO 0.03 1.30 0.34 -0.09 0.09 0.00 0.00 178.44 180.12 1qck h ARG 82 N 0.71 1.20 -0.32 1.13 2.43 0.60 -2.46 114.38 117.68 1qck h ARG 82 Ca 0.04 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 58.86 1qck h ARG 82 Cb 1.08 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1qck h ARG 82 CO 0.11 0.96 -0.37 0.93 -1.51 0.00 0.00 179.97 180.09 1qck h GLU 83 N 1.18 0.75 -0.62 0.20 5.08 -0.59 -1.46 114.58 119.12 1qck h GLU 83 Ca 0.27 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1qck h GLU 83 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1qck h GLU 83 CO -0.03 1.00 0.41 2.35 -1.00 0.00 0.00 179.01 181.74 1qck h TRP 84 N 0.62 0.78 -0.91 4.33 7.01 -1.15 -0.33 115.95 126.30 1qck h TRP 84 Ca 0.06 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1qck h TRP 84 Cb 0.92 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 1qck h TRP 84 CO 0.05 0.49 0.56 0.00 -2.79 0.00 0.00 178.44 176.75 1qck h ASP 86 N 1.24 0.94 0.30 0.00 3.32 -0.13 -2.46 116.42 119.64 1qck h ASP 86 Ca 0.33 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.98 1qck h ASP 86 Cb -0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1qck h ASP 86 CO -0.06 0.73 -1.78 0.00 -1.72 0.00 0.00 179.24 176.41 1qck h ALA 87 N 1.42 0.42 -3.00 3.45 0.00 -0.21 -3.45 119.26 117.90 1qck h ALA 87 Ca 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1qck h ALA 87 Cb -0.02 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qck h ALA 87 CO -0.05 1.28 0.00 1.19 0.00 0.00 0.00 179.25 181.67 1qck n PHE 88 N -3.40 0.00 1.94 0.00 3.01 0.47 -5.09 117.46 114.39 1qck n PHE 88 Ca -0.24 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.38 1qck n PHE 88 Cb 1.05 0.00 0.92 0.00 -0.01 0.00 0.00 39.48 41.44 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66