#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 4.33 0.21 2.03 2.01 -1.26 -5.02 115.64 117.95 1qck s THR 2 Ca 0.00 1.05 0.08 0.00 0.31 0.00 0.00 61.69 63.13 1qck s THR 2 Cb 0.00 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1qck s THR 2 CO 0.00 -0.91 -0.01 0.42 -0.69 0.00 0.00 174.62 173.43 1qck s THR 3 N 4.12 3.57 0.86 -0.82 -4.23 -1.26 -5.07 115.64 112.80 1qck s THR 3 Ca 0.43 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 1qck s THR 3 Cb -0.09 -2.84 0.17 0.00 1.34 0.00 0.00 72.50 71.09 1qck s THR 3 CO 0.29 -0.22 1.19 -0.44 -0.54 0.00 0.00 174.62 174.90 1qck s SER 4 N -3.22 3.65 0.60 3.99 0.01 -1.26 -4.93 113.70 112.53 1qck s SER 4 Ca 0.29 0.02 0.35 0.00 1.31 0.00 0.00 55.95 57.92 1qck s SER 4 Cb -0.08 -0.21 1.93 0.00 0.21 0.00 0.00 66.02 67.87 1qck s SER 4 CO 0.19 -2.36 2.23 0.06 0.41 0.00 0.00 173.24 173.77 1qck h GLN 5 N -1.17 0.00 -0.86 12.44 3.07 -2.01 -2.20 115.11 124.38 1qck h GLN 5 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.32 1qck h GLN 5 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.77 1qck h GLN 5 CO 0.39 0.03 0.49 0.87 0.09 0.00 0.00 178.83 180.70 1qck h LYS 6 N 0.00 1.19 0.03 0.06 1.57 -1.92 0.13 116.57 117.62 1qck h LYS 6 Ca -0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1qck h LYS 6 Cb 0.13 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1qck h LYS 6 CO 0.00 0.85 -0.01 1.25 -0.57 0.00 0.00 179.45 180.97 1qck h HIS 7 N 1.20 -0.04 -0.21 -1.35 2.76 -1.72 0.15 115.15 115.95 1qck h HIS 7 Ca 0.31 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.34 1qck h HIS 7 Cb -0.00 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1qck h HIS 7 CO 0.01 -0.02 -0.44 0.00 -1.30 0.00 0.00 177.93 176.18 1qck h ARG 8 N -0.04 0.53 -0.56 5.26 3.08 -1.62 -2.76 114.38 118.28 1qck h ARG 8 Ca -0.00 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 1qck h ARG 8 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1qck h ARG 8 CO 0.01 0.87 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.25 1qck h ASP 9 N 0.43 1.03 -0.30 7.04 3.32 -0.72 0.38 116.42 127.60 1qck h ASP 9 Ca 0.03 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1qck h ASP 9 Cb 0.95 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1qck h ASP 9 CO 0.08 1.13 0.05 0.15 -1.72 0.00 0.00 179.24 178.93 1qck h PHE 10 N 0.93 0.54 -0.19 4.55 3.57 -0.59 -2.86 116.94 122.89 1qck h PHE 10 Ca 0.15 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1qck h PHE 10 Cb 0.65 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1qck h PHE 10 CO 0.04 0.60 0.00 1.33 -2.23 0.00 0.00 178.31 178.05 1qck n VAL 11 N -4.62 0.25 0.36 1.41 0.24 -1.05 -3.76 118.33 111.16 1qck n VAL 11 Ca -0.02 -0.34 0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1qck n VAL 11 Cb 0.22 0.28 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 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 0.26 3.50 -3.18 2.33 0.00 0.12 -4.95 120.51 118.60 1qck n ALA 12 Ca 0.15 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 1qck n ALA 12 Cb 0.29 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.25 0.84 0.68 0.00 -1.05 -1.17 -5.06 118.70 109.69 1qck s GLU 13 Ca -0.02 -0.30 -0.15 0.00 -0.15 0.00 0.00 54.97 54.35 1qck s GLU 13 Cb 0.14 0.37 -0.13 0.00 -0.44 0.00 0.00 34.13 34.08 1qck s GLU 13 CO 0.86 -0.27 -0.44 -2.30 0.95 0.00 0.00 175.26 174.06 1qck n PRO 14 N 0.75 0.00 -0.03 -4.83 -0.02 -1.26 -4.75 135.00 124.86 1qck n PRO 14 Ca -0.19 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.22 1qck n PRO 14 Cb 0.58 -0.86 -0.13 0.00 -0.02 0.00 0.00 33.50 33.07 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 1.78 0.64 0.00 -0.52 0.00 -1.26 -4.98 117.12 112.78 1qck n MET 15 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1qck n MET 15 Cb 0.45 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.94 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 1.56 2.94 1.73 3.17 0.00 -1.26 -2.44 105.19 110.89 1qck n GLY 16 Ca -0.19 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 2.48 -1.71 1.61 1.02 -1.26 -4.72 120.64 132.06 1qck n GLU 17 Ca 0.00 -3.43 -0.38 0.00 -0.02 0.00 0.00 57.16 53.33 1qck n GLU 17 Cb 0.00 -2.07 0.06 0.00 -0.02 0.00 0.00 31.44 29.41 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 -0.99 1.24 -1.10 3.49 5.02 -1.02 -4.81 118.16 119.99 1qck n LYS 18 Ca 0.45 0.47 -0.34 0.00 -2.02 0.00 0.00 58.31 56.88 1qck n LYS 18 Cb 1.01 -2.47 0.12 0.00 -0.02 0.00 0.00 35.03 33.68 1qck n LYS 18 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1qck n PRO 19 N -1.45 0.17 -0.30 1.97 -0.04 -1.26 -2.50 135.00 131.59 1qck n PRO 19 Ca 0.14 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1qck n PRO 19 Cb 0.47 -2.36 0.11 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.90 1.11 0.00 0.52 3.04 -1.78 -0.12 116.25 118.12 1qck h VAL 20 Ca -0.46 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 1qck h VAL 20 Cb 1.30 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1qck h VAL 20 CO 0.45 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 1qck n GLY 21 N -1.33 -0.19 0.19 3.17 0.00 -1.26 -1.06 105.19 104.72 1qck n GLY 21 Ca 0.11 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.74 1.61 0.87 -1.27 -3.44 113.55 107.58 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 0.01 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.04 1qck h SER 22 CO 0.00 0.12 0.70 -0.76 -0.53 0.00 0.00 176.83 176.35 1qck s LEU 23 N -6.14 4.40 0.29 2.23 1.43 -0.22 -4.84 118.68 115.84 1qck s LEU 23 Ca 0.05 2.74 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 1qck s LEU 23 Cb 0.06 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1qck s LEU 23 CO 0.70 -0.64 1.44 0.00 0.23 0.00 0.00 176.35 178.09 1qck s ALA 24 N -0.80 3.61 0.00 4.21 0.00 -1.26 -1.91 121.76 125.60 1qck s ALA 24 Ca 0.53 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1qck s ALA 24 Cb -0.41 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1qck s ALA 24 CO 0.52 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1qck n GLY 25 N 1.59 2.96 3.49 0.00 0.00 -1.26 -3.02 105.19 108.95 1qck n GLY 25 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.38 5.25 0.62 -0.61 -1.09 -0.80 -4.85 121.20 117.33 1qck s ILE 26 Ca 0.00 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 1qck s ILE 26 Cb 0.00 -3.87 0.11 0.00 -1.58 0.00 0.00 42.46 37.13 1qck s ILE 26 CO 0.00 -0.21 0.85 0.61 -1.23 0.00 0.00 174.94 174.96 1qck n GLY 27 N 5.13 1.25 0.37 6.18 0.00 -1.26 -4.63 105.19 112.22 1qck n GLY 27 Ca -0.11 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.82 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 1.15 -0.24 1.61 3.07 -1.98 0.68 114.58 118.87 1qck h GLU 28 Ca -0.28 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.46 1qck h GLU 28 Cb 1.15 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1qck h GLU 28 CO 0.35 0.76 -0.03 0.28 -1.40 0.00 0.00 179.01 178.96 1qck h VAL 29 N 1.18 1.27 -0.49 3.13 2.07 -2.00 -1.73 116.25 119.68 1qck h VAL 29 Ca 0.43 -0.99 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 1qck h VAL 29 Cb 0.17 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1qck h VAL 29 CO -0.17 0.31 -0.19 -0.07 0.02 0.00 0.00 177.57 177.46 1qck h LEU 30 N 0.19 1.00 -1.01 2.57 3.38 -1.74 -2.66 115.31 117.03 1qck h LEU 30 Ca 0.06 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1qck h LEU 30 Cb 0.47 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1qck h LEU 30 CO 0.02 1.15 0.67 1.23 0.09 0.00 0.00 178.44 181.60 1qck h GLY 31 N 0.90 1.42 1.05 0.83 0.00 0.44 -0.93 103.07 106.79 1qck h GLY 31 Ca 0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1qck h GLY 31 CO 0.06 0.51 0.35 1.70 0.00 0.00 0.00 176.54 179.16 1qck h LYS 32 N 1.35 1.21 -0.30 4.80 3.64 -1.03 0.34 116.57 126.58 1qck h LYS 32 Ca 0.37 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1qck h LYS 32 Cb -0.14 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 1qck h LYS 32 CO -0.09 0.96 -0.11 0.87 -2.27 0.00 0.00 179.45 178.81 1qck h LYS 33 N 1.19 0.60 -0.66 1.90 1.57 -1.01 -0.93 116.57 119.23 1qck h LYS 33 Ca 0.28 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1qck h LYS 33 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1qck h LYS 33 CO -0.03 0.82 0.14 -0.07 -0.57 0.00 0.00 179.45 179.74 1qck h LEU 34 N 0.36 1.02 -0.59 2.94 3.38 -0.92 -2.41 115.31 119.10 1qck h LEU 34 Ca 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1qck h LEU 34 Cb 0.61 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1qck h LEU 34 CO 0.04 1.00 0.38 -0.08 0.09 0.00 0.00 178.44 179.87 1qck h GLU 35 N 0.99 0.78 0.00 1.13 4.81 -0.12 0.26 114.58 122.43 1qck h GLU 35 Ca 0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1qck h GLU 35 Cb 0.40 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1qck h GLU 35 CO 0.01 0.52 0.00 1.49 -0.73 0.00 0.00 179.01 180.30 1qck h GLU 36 N 0.79 0.00 -0.16 1.92 4.81 -0.91 -0.68 114.58 120.35 1qck h GLU 36 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1qck h GLU 36 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1qck h GLU 36 CO -0.05 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.77 1qck n ARG 37 N -3.02 1.77 0.00 1.92 5.12 -0.05 -4.89 116.66 117.52 1qck n ARG 37 Ca -0.01 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.75 1qck n ARG 37 Cb 0.19 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.92 3.03 -0.13 0.00 -0.26 -5.03 105.19 104.87 1qck n GLY 38 Ca 0.16 0.00 -0.39 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 -1.87 3.78 1.00 1.61 3.01 -0.46 -4.82 117.46 119.71 1qck n PHE 39 Ca 0.00 -3.62 0.14 0.00 1.01 0.00 0.00 57.45 54.98 1qck n PHE 39 Cb 0.00 -1.21 0.61 0.00 -0.01 0.00 0.00 39.48 38.87 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 1.87 0.00 -4.15 4.37 5.75 -1.26 -3.54 116.55 119.58 1qck n ASP 40 Ca 0.25 0.49 -0.12 0.00 -0.01 0.00 0.00 54.79 55.39 1qck n ASP 40 Cb 0.37 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.99 0.79 0.21 0.11 -0.14 -1.26 -3.81 119.74 112.65 1qck s LYS 41 Ca 0.14 -1.17 -0.07 0.00 -1.36 0.00 0.00 55.97 53.50 1qck s LYS 41 Cb 0.19 -0.33 0.16 0.00 -1.68 0.00 0.00 37.83 36.16 1qck s LYS 41 CO 0.52 0.03 1.74 0.00 -0.76 0.00 0.00 175.35 176.88 1qck h ALA 42 N 3.43 0.99 -0.00 5.17 0.00 -1.63 -2.66 119.26 124.57 1qck h ALA 42 Ca -0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1qck h ALA 42 Cb 1.18 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1qck h ALA 42 CO 0.56 0.66 0.07 0.10 0.00 0.00 0.00 179.25 180.65 1qck h TYR 43 N 1.07 0.00 0.08 0.00 -0.00 -1.84 0.19 116.97 116.46 1qck h TYR 43 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.71 1qck h TYR 43 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.07 1qck h TYR 43 CO 0.03 0.00 -1.11 0.28 -0.00 0.00 0.00 178.16 177.35 1qck h VAL 44 N 0.00 1.49 0.02 -0.90 2.07 -1.87 -2.56 116.25 114.50 1qck h VAL 44 Ca 0.00 -2.90 -0.26 0.00 0.82 0.00 0.00 66.70 64.36 1qck h VAL 44 Cb 0.14 2.76 0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1qck h VAL 44 CO -0.00 0.85 -1.06 0.58 0.02 0.00 0.00 177.57 177.95 1qck h VAL 45 N 0.11 1.31 -0.88 2.57 2.07 -0.86 -3.05 116.25 117.51 1qck h VAL 45 Ca -0.10 -2.34 0.01 0.00 0.82 0.00 0.00 66.70 65.08 1qck h VAL 45 Cb 1.81 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 33.99 1qck h VAL 45 CO 0.18 0.72 0.58 0.25 0.02 0.00 0.00 177.57 179.32 1qck h LEU 46 N 0.33 1.02 -0.93 2.57 5.85 -0.80 -1.80 115.31 121.56 1qck h LEU 46 Ca -0.13 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1qck h LEU 46 Cb 1.72 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 1qck h LEU 46 CO 0.20 0.74 0.61 1.23 -0.34 0.00 0.00 178.44 180.89 1qck h GLY 47 N 1.20 1.30 1.01 3.75 0.00 -1.38 -2.01 103.07 106.94 1qck h GLY 47 Ca 0.32 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1qck h GLY 47 CO -0.07 0.48 0.53 -1.61 0.00 0.00 0.00 176.54 175.86 1qck h GLN 48 N 1.25 1.06 -1.00 4.80 5.75 -1.23 0.13 115.11 125.87 1qck h GLN 48 Ca 0.34 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 1qck h GLN 48 Cb -0.15 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.11 1qck h GLN 48 CO -0.07 0.70 0.66 0.35 -2.65 0.00 0.00 178.83 177.82 1qck h PHE 49 N 1.09 1.24 -0.38 3.99 3.57 -1.12 -0.86 116.94 124.47 1qck h PHE 49 Ca 0.29 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.68 1qck h PHE 49 Cb -0.12 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.19 1qck h PHE 49 CO -0.02 0.74 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.41 1qck h LEU 50 N 1.30 0.89 -2.14 0.59 3.38 -0.71 -2.63 115.31 116.00 1qck h LEU 50 Ca 0.39 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1qck h LEU 50 Cb -0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1qck h LEU 50 CO -0.11 1.14 -0.07 0.58 0.09 0.00 0.00 178.44 180.07 1qck h VAL 51 N 0.71 0.51 -0.49 1.22 2.07 0.53 -1.83 116.25 118.98 1qck h VAL 51 Ca 0.07 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1qck h VAL 51 Cb 0.89 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1qck h VAL 51 CO 0.08 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1qck n LEU 52 N -3.67 4.03 -4.14 2.57 4.77 -0.56 -4.92 117.00 115.08 1qck n LEU 52 Ca -0.02 -2.04 -0.34 0.00 -0.03 0.00 0.00 56.01 53.58 1qck n LEU 52 Cb 0.18 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1qck n LEU 52 CO 0.29 0.63 0.01 0.29 -1.33 0.00 0.00 177.39 177.27 1qck n LYS 53 N 0.75 -3.81 -1.56 3.23 5.02 -0.69 0.72 118.16 121.82 1qck n LYS 53 Ca 0.20 0.43 -0.19 0.00 -2.02 0.00 0.00 58.31 56.73 1qck n LYS 53 Cb 0.79 -5.19 -0.08 0.00 -0.02 0.00 0.00 35.03 30.52 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 -4.47 -1.46 -2.00 1.97 5.02 -1.13 -4.87 118.16 111.22 1qck n LYS 54 Ca 0.06 1.16 -0.42 0.00 -2.02 0.00 0.00 58.31 57.10 1qck n LYS 54 Cb 0.50 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.95 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 -2.68 5.69 0.22 4.39 1.01 0.22 -4.85 116.67 120.68 1qck s ASP 55 Ca 0.00 1.04 -0.08 0.00 0.71 0.00 0.00 52.55 54.23 1qck s ASP 55 Cb 0.00 -2.53 0.19 0.00 1.01 0.00 0.00 42.92 41.59 1qck s ASP 55 CO 0.00 -1.91 1.84 -0.08 0.21 0.00 0.00 175.17 175.22 1qck h GLU 56 N 13.60 1.20 -0.40 8.23 4.81 -1.89 0.30 114.58 140.43 1qck h GLU 56 Ca -0.31 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 58.61 1qck h GLU 56 Cb 1.17 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1qck h GLU 56 CO 1.08 0.89 -0.37 -0.44 -0.73 0.00 0.00 179.01 179.44 1qck h ASP 57 N 1.20 1.01 -0.40 1.04 3.32 -1.98 0.01 116.42 120.61 1qck h ASP 57 Ca 0.30 -0.46 -0.16 0.00 0.02 0.00 0.00 57.03 56.73 1qck h ASP 57 Cb 0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1qck h ASP 57 CO -0.05 1.26 -0.37 -0.07 -1.72 0.00 0.00 179.24 178.29 1qck h LEU 58 N 0.77 1.01 0.01 1.55 3.38 -1.90 -0.88 115.31 119.26 1qck h LEU 58 Ca 0.07 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1qck h LEU 58 Cb 0.96 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1qck h LEU 58 CO 0.09 1.26 -0.01 0.15 0.09 0.00 0.00 178.44 180.03 1qck h PHE 59 N 0.78 -0.01 -0.37 1.13 3.57 -0.83 0.50 116.94 121.71 1qck h PHE 59 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1qck h PHE 59 Cb 0.97 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1qck h PHE 59 CO 0.06 0.20 0.22 0.00 -2.23 0.00 0.00 178.31 176.57 1qck h ARG 60 N -0.23 0.50 -0.63 1.11 3.08 -0.96 0.14 114.38 117.39 1qck h ARG 60 Ca -0.00 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1qck h ARG 60 Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1qck h ARG 60 CO 0.00 0.38 0.16 0.93 -1.07 0.00 0.00 179.97 180.37 1qck h GLU 61 N 0.48 0.97 -0.27 0.04 5.08 -1.10 0.02 114.58 119.80 1qck h GLU 61 Ca 0.13 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1qck h GLU 61 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1qck h GLU 61 CO -0.02 0.86 -0.03 2.35 -1.00 0.00 0.00 179.01 181.17 1qck h TRP 62 N 0.93 0.56 -0.07 4.33 7.01 -0.36 0.86 115.95 129.22 1qck h TRP 62 Ca 0.20 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1qck h TRP 62 Cb 0.32 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1qck h TRP 62 CO 0.02 0.68 -0.00 1.25 -2.79 0.00 0.00 178.44 177.60 1qck h LEU 63 N 0.27 0.12 -0.48 0.65 5.85 -0.51 0.65 115.31 121.87 1qck h LEU 63 Ca 0.07 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1qck h LEU 63 Cb 0.48 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1qck h LEU 63 CO 0.02 0.40 0.25 0.50 -0.34 0.00 0.00 178.44 179.27 1qck h LYS 64 N -0.17 0.68 -0.10 1.25 3.64 -1.01 0.25 116.57 121.12 1qck h LYS 64 Ca 0.02 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1qck h LYS 64 Cb 0.34 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1qck h LYS 64 CO 0.00 0.56 -0.45 0.22 -2.27 0.00 0.00 179.45 177.51 1qck h ASP 65 N 0.63 0.24 0.86 4.20 1.82 -0.74 0.62 116.42 124.06 1qck h ASP 65 Ca 0.17 -0.11 -0.23 0.00 -0.39 0.00 0.00 57.03 56.46 1qck h ASP 65 Cb 0.09 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1qck h ASP 65 CO -0.02 0.67 -1.09 0.74 -1.61 0.00 0.00 179.24 177.92 1qck h THR 66 N 0.19 1.64 0.00 2.25 2.02 0.89 -3.42 112.91 116.48 1qck h THR 66 Ca 0.01 -3.29 0.00 0.00 0.77 0.00 0.00 66.41 63.90 1qck h THR 66 Cb 0.88 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1qck h THR 66 CO 0.07 0.95 -0.38 0.00 0.37 0.00 0.00 175.52 176.52 1qck n GLY 68 N 1.47 1.21 3.44 0.00 0.00 0.22 -5.01 105.19 106.52 1qck n GLY 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.44 -1.59 -1.98 4.61 0.00 -1.26 -4.93 120.51 113.92 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 -1.81 0.09 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.37 4.63 0.34 0.00 0.02 -1.26 -4.62 114.94 112.67 1qck s ASN 70 Ca 0.65 -0.22 0.01 0.00 -1.02 0.00 0.00 52.86 52.28 1qck s ASN 70 Cb -0.37 -0.31 0.58 0.00 0.02 0.00 0.00 41.25 41.17 1qck s ASN 70 CO 0.58 -1.65 2.00 0.00 0.02 0.00 0.00 177.10 178.05 1qck h ALA 71 N -0.37 1.51 -0.13 0.60 0.00 -1.99 -0.66 119.26 118.22 1qck h ALA 71 Ca -0.38 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 1qck h ALA 71 Cb 1.28 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1qck h ALA 71 CO 0.45 0.45 -0.82 0.87 0.00 0.00 0.00 179.25 180.20 1qck h LYS 72 N 0.93 0.79 -0.40 0.00 1.79 -2.00 -2.85 116.57 114.82 1qck h LYS 72 Ca 0.25 -0.67 -0.10 0.00 -2.18 0.00 0.00 60.65 57.95 1qck h LYS 72 Cb -0.10 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1qck h LYS 72 CO -0.06 1.27 -0.15 1.96 -1.08 0.00 0.00 179.45 181.39 1qck h GLN 73 N 0.53 0.74 -0.30 3.15 4.20 -1.78 -2.93 115.11 118.71 1qck h GLN 73 Ca -0.06 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.25 1qck h GLN 73 Cb 1.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 1qck h GLN 73 CO 0.17 0.85 -0.36 0.66 -0.67 0.00 0.00 178.83 179.48 1qck h SER 74 N 0.66 0.73 -0.77 1.46 4.64 -1.16 -2.93 113.55 116.19 1qck h SER 74 Ca 0.11 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1qck h SER 74 Cb 0.63 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 1qck h SER 74 CO 0.04 1.02 0.51 0.03 -0.87 0.00 0.00 176.83 177.56 1qck h ARG 75 N 0.58 1.01 -0.56 4.77 3.08 -1.32 -1.27 114.38 120.67 1qck h ARG 75 Ca 0.06 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1qck h ARG 75 Cb 0.89 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1qck h ARG 75 CO 0.08 0.67 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.12 1qck h ASP 76 N 1.04 1.05 -0.28 7.04 3.32 -1.41 -2.50 116.42 124.69 1qck h ASP 76 Ca 0.28 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1qck h ASP 76 Cb -0.12 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.14 1qck h ASP 76 CO -0.06 1.15 -0.31 0.00 -1.72 0.00 0.00 179.24 178.30 1qck h PHE 78 N 0.44 -1.24 -0.37 0.00 3.57 -1.18 0.55 116.94 118.71 1qck h PHE 78 Ca 0.04 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1qck h PHE 78 Cb 0.89 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 1qck h PHE 78 CO 0.07 -0.77 0.08 0.78 -2.23 0.00 0.00 178.31 176.25 1qck h GLY 79 N -1.34 0.59 0.61 2.40 0.00 -1.54 0.75 103.07 104.53 1qck h GLY 79 Ca -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1qck h GLY 79 CO 0.22 0.29 -0.10 0.00 0.00 0.00 0.00 176.54 176.95 1qck h LEU 81 N -0.27 1.01 -0.91 0.00 3.38 0.31 -1.82 115.31 117.00 1qck h LEU 81 Ca 0.01 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1qck h LEU 81 Cb 0.65 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1qck h LEU 81 CO 0.02 1.28 0.52 -0.09 0.09 0.00 0.00 178.44 180.26 1qck h ARG 82 N 0.75 1.26 -0.33 1.13 2.43 0.54 -1.86 114.38 118.30 1qck h ARG 82 Ca 0.05 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1qck h ARG 82 Cb 1.02 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1qck h ARG 82 CO 0.10 0.91 -0.32 0.93 -1.51 0.00 0.00 179.97 180.08 1qck h GLU 83 N 1.27 0.73 -0.45 0.20 4.39 -0.62 -0.55 114.58 119.56 1qck h GLU 83 Ca 0.32 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1qck h GLU 83 Cb 0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1qck h GLU 83 CO -0.05 0.95 0.29 2.35 -1.16 0.00 0.00 179.01 181.38 1qck h TRP 84 N 0.62 0.54 -0.76 4.33 7.01 -0.80 -0.54 115.95 126.35 1qck h TRP 84 Ca 0.07 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1qck h TRP 84 Cb 0.85 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 1qck h TRP 84 CO 0.04 0.33 0.40 0.00 -2.79 0.00 0.00 178.44 176.43 1qck h ASP 86 N 1.05 0.84 0.39 0.00 3.32 -0.15 -2.00 116.42 119.87 1qck h ASP 86 Ca 0.26 -0.03 -0.32 0.00 0.02 0.00 0.00 57.03 56.97 1qck h ASP 86 Cb 0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1qck h ASP 86 CO -0.04 0.62 -1.64 0.00 -1.72 0.00 0.00 179.24 176.46 1qck h ALA 87 N 1.53 0.36 -3.00 3.45 0.00 -0.51 -3.45 119.26 117.64 1qck h ALA 87 Ca 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1qck h ALA 87 Cb -0.09 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qck h ALA 87 CO -0.05 1.22 0.00 1.19 0.00 0.00 0.00 179.25 181.61 1qck n PHE 88 N -3.41 0.00 1.88 0.00 3.72 0.23 -5.10 117.46 114.78 1qck n PHE 88 Ca -0.19 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1qck n PHE 88 Cb 1.05 0.00 0.84 0.00 -0.94 0.00 0.00 39.48 40.43 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60