#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qck n THR 2 N 0.00 -1.96 -1.79 2.03 -2.24 -1.26 -4.92 114.28 104.13 1qck n THR 2 Ca 0.00 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1qck n THR 2 Cb 0.00 -2.38 0.03 0.00 -2.10 0.00 0.00 70.33 65.88 1qck n THR 2 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qck s THR 3 N -3.45 4.12 0.94 4.28 -4.23 -1.26 -5.04 115.64 111.01 1qck s THR 3 Ca 0.53 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.61 1qck s THR 3 Cb -0.28 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 70.10 1qck s THR 3 CO 0.88 -0.90 1.11 -0.94 -0.54 0.00 0.00 174.62 174.23 1qck s SER 4 N -4.14 3.17 0.63 3.99 1.04 -1.26 -4.89 113.70 112.24 1qck s SER 4 Ca 0.57 1.10 0.37 0.00 0.48 0.00 0.00 55.95 58.47 1qck s SER 4 Cb -0.12 -1.73 2.13 0.00 0.10 0.00 0.00 66.02 66.40 1qck s SER 4 CO 0.54 -2.78 2.31 -0.61 0.98 0.00 0.00 173.24 173.67 1qck h GLN 5 N -1.65 0.00 -0.85 4.02 4.15 -2.01 -1.62 115.11 117.14 1qck h GLN 5 Ca -0.52 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.91 1qck h GLN 5 Cb 1.33 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.97 1qck h GLN 5 CO 0.60 0.00 0.56 0.87 -1.93 0.00 0.00 178.83 178.92 1qck h LYS 6 N 0.00 1.13 -0.17 1.69 1.57 -1.98 -0.74 116.57 118.07 1qck h LYS 6 Ca 0.00 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1qck h LYS 6 Cb 0.03 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1qck h LYS 6 CO -0.00 0.75 -0.03 1.25 -0.57 0.00 0.00 179.45 180.85 1qck h HIS 7 N 1.16 -0.06 -0.15 -1.35 2.76 -1.63 0.43 115.15 116.30 1qck h HIS 7 Ca 0.31 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.37 1qck h HIS 7 Cb -0.12 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1qck h HIS 7 CO 0.00 -0.06 -0.47 0.00 -1.30 0.00 0.00 177.93 176.11 1qck h ARG 8 N 0.02 0.38 -0.23 5.26 3.08 -1.60 -2.79 114.38 118.50 1qck h ARG 8 Ca 0.08 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1qck h ARG 8 Cb 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1qck h ARG 8 CO -0.16 0.77 -0.50 -0.44 -1.07 0.00 0.00 179.97 178.57 1qck h ASP 9 N 0.30 0.68 -0.49 7.04 3.32 -0.60 -2.89 116.42 123.79 1qck h ASP 9 Ca 0.02 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1qck h ASP 9 Cb 0.94 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1qck h ASP 9 CO 0.08 1.06 0.13 0.15 -1.72 0.00 0.00 179.24 178.94 1qck h PHE 10 N 0.49 0.82 -0.14 4.55 3.57 -0.01 -2.12 116.94 124.11 1qck h PHE 10 Ca 0.02 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1qck h PHE 10 Cb 1.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1qck h PHE 10 CO 0.05 0.74 0.00 1.33 -2.23 0.00 0.00 178.31 178.19 1qck n VAL 11 N -4.47 0.39 0.13 1.41 0.24 -1.06 -3.41 118.33 111.55 1qck n VAL 11 Ca 0.01 -0.25 0.01 0.00 -2.04 0.00 0.00 64.34 62.08 1qck n VAL 11 Cb 0.22 -0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.39 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 0.04 2.36 -3.41 2.33 0.00 -0.81 -4.93 120.51 116.10 1qck n ALA 12 Ca 0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 1qck n ALA 12 Cb 0.29 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.21 0.89 0.77 0.00 -1.05 -1.14 -5.08 118.70 111.89 1qck s GLU 13 Ca 0.01 0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.75 1qck s GLU 13 Cb 0.02 0.41 -0.14 0.00 -0.44 0.00 0.00 34.13 33.98 1qck s GLU 13 CO 0.11 -0.26 -0.43 -2.30 0.95 0.00 0.00 175.26 173.32 1qck n PRO 14 N 1.10 0.01 0.09 -4.83 -0.02 -1.26 -4.79 135.00 125.30 1qck n PRO 14 Ca -0.20 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.40 1qck n PRO 14 Cb 0.57 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.99 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 1.87 0.59 0.00 -0.52 0.00 -1.26 -5.02 117.12 112.78 1qck n MET 15 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1qck n MET 15 Cb 0.52 -1.78 0.00 0.00 0.00 0.00 0.00 33.22 31.95 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 1.20 2.62 1.75 3.17 0.00 -1.26 -2.45 105.19 110.22 1qck n GLY 16 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 2.10 -1.74 1.61 1.02 -1.26 -4.77 120.64 131.60 1qck n GLU 17 Ca 0.00 -3.13 -0.38 0.00 -0.02 0.00 0.00 57.16 53.64 1qck n GLU 17 Cb 0.00 -2.02 0.06 0.00 -0.02 0.00 0.00 31.44 29.46 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 -3.31 2.77 0.87 3.49 1.02 -1.03 -4.88 119.74 118.67 1qck s LYS 18 Ca 0.52 2.15 -0.11 0.00 0.02 0.00 0.00 55.97 58.55 1qck s LYS 18 Cb 0.45 -2.01 0.12 0.00 -0.52 0.00 0.00 37.83 35.87 1qck s LYS 18 CO 0.05 -1.46 1.15 -1.25 -0.92 0.00 0.00 175.35 172.92 1qck s PRO 19 N -3.19 1.34 0.13 -1.68 0.04 -1.26 -3.10 135.00 127.27 1qck s PRO 19 Ca 0.78 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 1qck s PRO 19 Cb -0.39 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1qck s PRO 19 CO 0.43 -2.39 1.73 -0.24 0.04 0.00 0.00 177.00 176.57 1qck h VAL 20 N -1.54 0.87 0.00 -0.36 3.04 -1.78 -1.02 116.25 115.45 1qck h VAL 20 Ca -0.44 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1qck h VAL 20 Cb 1.27 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1qck h VAL 20 CO 0.44 0.02 0.03 0.61 -1.01 0.00 0.00 177.57 177.65 1qck n GLY 21 N -1.18 -0.07 0.13 3.17 0.00 -1.26 -0.75 105.19 105.23 1qck n GLY 21 Ca -0.02 0.00 0.03 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 -3.78 1.61 4.64 -1.42 -3.43 113.55 111.17 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 0.05 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.24 1qck h SER 22 CO 0.00 0.47 0.79 -0.76 -0.87 0.00 0.00 176.83 176.47 1qck s LEU 23 N -6.27 4.33 0.23 5.97 1.43 0.07 -4.90 118.68 119.54 1qck s LEU 23 Ca 0.03 2.99 -0.31 0.00 -1.03 0.00 0.00 54.13 55.81 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 0.76 -0.85 1.52 0.00 0.23 0.00 0.00 176.35 178.00 1qck s ALA 24 N -0.83 3.71 0.00 4.21 0.00 -1.26 -1.80 121.76 125.79 1qck s ALA 24 Ca 0.55 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1qck s ALA 24 Cb -0.46 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1qck s ALA 24 CO 0.58 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1qck n GLY 25 N 2.70 3.42 3.50 0.00 0.00 -1.26 -3.26 105.19 110.29 1qck n GLY 25 Ca 0.09 0.00 -0.41 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 -2.73 5.26 0.73 -0.61 -1.09 -0.74 -4.82 121.20 117.20 1qck s ILE 26 Ca 0.00 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1qck s ILE 26 Cb 0.00 -3.81 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 1qck s ILE 26 CO 0.00 -0.14 1.00 -0.83 -1.23 0.00 0.00 174.94 173.74 1qck s GLY 27 N 1.71 1.74 0.27 6.18 0.00 -1.26 -4.57 107.32 111.39 1qck s GLY 27 Ca 0.06 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 42.84 1qck s GLY 27 CO 0.10 -1.32 1.86 0.83 0.00 0.00 0.00 173.10 174.58 1qck h GLU 28 N -0.52 1.06 -0.40 2.90 4.39 -1.98 0.27 114.58 120.31 1qck h GLU 28 Ca -0.33 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.23 1qck h GLU 28 Cb 1.26 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1qck h GLU 28 CO 0.37 0.70 -0.04 0.28 -1.16 0.00 0.00 179.01 179.16 1qck h VAL 29 N 1.09 1.27 -0.51 3.13 2.07 -2.00 -2.22 116.25 119.08 1qck h VAL 29 Ca 0.46 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 1qck h VAL 29 Cb 0.32 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1qck h VAL 29 CO -0.22 0.36 -0.17 -0.07 0.02 0.00 0.00 177.57 177.50 1qck h LEU 30 N 0.55 1.03 -0.88 2.57 3.38 -1.67 -2.82 115.31 117.47 1qck h LEU 30 Ca 0.11 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1qck h LEU 30 Cb 0.54 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1qck h LEU 30 CO 0.03 1.17 0.58 1.23 0.09 0.00 0.00 178.44 181.54 1qck h GLY 31 N 0.90 1.24 1.18 0.83 0.00 -0.37 -1.81 103.07 105.04 1qck h GLY 31 Ca 0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1qck h GLY 31 CO 0.06 0.45 0.15 0.50 0.00 0.00 0.00 176.54 177.70 1qck h LYS 32 N 1.19 1.02 -0.08 4.80 1.57 -1.25 0.38 116.57 124.21 1qck h LYS 32 Ca 0.32 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1qck h LYS 32 Cb -0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1qck h LYS 32 CO -0.07 0.91 0.01 0.87 -0.57 0.00 0.00 179.45 180.60 1qck h LYS 33 N 0.97 0.13 -0.82 3.15 1.79 -1.17 -1.11 116.57 119.50 1qck h LYS 33 Ca 0.20 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1qck h LYS 33 Cb 0.35 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1qck h LYS 33 CO 0.00 0.36 0.49 -0.07 -1.08 0.00 0.00 179.45 179.15 1qck h LEU 34 N -0.12 0.99 -1.00 2.94 3.38 -1.21 -1.47 115.31 118.82 1qck h LEU 34 Ca 0.02 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1qck h LEU 34 Cb 0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1qck h LEU 34 CO 0.00 0.76 0.66 -0.08 0.09 0.00 0.00 178.44 179.87 1qck h GLU 35 N 1.13 1.32 0.00 1.13 4.81 -0.57 0.28 114.58 122.68 1qck h GLU 35 Ca 0.29 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1qck h GLU 35 Cb -0.04 -0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.04 1qck h GLU 35 CO -0.05 0.88 0.00 0.93 -0.73 0.00 0.00 179.01 180.03 1qck h GLU 36 N 1.36 0.00 -0.13 1.92 5.08 -0.19 -1.53 114.58 121.08 1qck h GLU 36 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 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 -2.91 1.82 0.00 2.33 5.12 0.90 -4.90 116.66 119.02 1qck n ARG 37 Ca 0.00 -1.22 0.00 0.00 -1.93 0.00 0.00 57.85 54.70 1qck n ARG 37 Cb 0.24 -1.43 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 1.19 0.88 3.09 -0.13 0.00 -0.58 -5.03 105.19 104.62 1qck n GLY 38 Ca 0.17 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 -1.84 4.09 1.03 1.61 3.01 -0.65 -4.84 117.46 119.87 1qck n PHE 39 Ca 0.00 -3.76 0.13 0.00 1.01 0.00 0.00 57.45 54.83 1qck n PHE 39 Cb 0.00 -1.28 0.59 0.00 -0.01 0.00 0.00 39.48 38.79 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 2.07 0.00 -4.15 4.37 5.75 -1.26 -3.70 116.55 119.63 1qck n ASP 40 Ca 0.24 0.25 -0.11 0.00 -0.01 0.00 0.00 54.79 55.16 1qck n ASP 40 Cb 0.37 -0.41 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 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 -2.82 0.79 0.15 0.11 -0.14 -1.26 -4.00 119.74 112.57 1qck s LYS 41 Ca 0.18 -1.25 -0.12 0.00 -1.36 0.00 0.00 55.97 53.41 1qck s LYS 41 Cb 0.17 -0.22 0.02 0.00 -1.68 0.00 0.00 37.83 36.12 1qck s LYS 41 CO 0.44 -0.01 1.61 0.00 -0.76 0.00 0.00 175.35 176.63 1qck h ALA 42 N 3.19 0.66 0.00 5.17 0.00 -1.69 -2.86 119.26 123.73 1qck h ALA 42 Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qck h ALA 42 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qck h ALA 42 CO 0.61 0.45 0.07 0.10 0.00 0.00 0.00 179.25 180.49 1qck h TYR 43 N 0.72 0.00 0.00 0.00 -0.00 -1.86 0.26 116.97 116.09 1qck h TYR 43 Ca 0.14 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.66 1qck h TYR 43 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.18 1qck h TYR 43 CO 0.04 0.00 -1.01 0.28 -0.00 0.00 0.00 178.16 177.46 1qck h VAL 44 N 0.00 1.70 -0.01 -0.90 2.07 -1.90 -2.75 116.25 114.46 1qck h VAL 44 Ca 0.00 -3.42 -0.26 0.00 0.82 0.00 0.00 66.70 63.85 1qck h VAL 44 Cb 0.15 2.84 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1qck h VAL 44 CO 0.00 0.97 -1.01 0.58 0.02 0.00 0.00 177.57 178.13 1qck h VAL 45 N 0.00 1.30 -1.00 2.57 2.07 -0.60 -3.01 116.25 117.57 1qck h VAL 45 Ca -0.02 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.25 1qck h VAL 45 Cb 1.78 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 33.85 1qck h VAL 45 CO 0.13 0.70 0.66 0.25 0.02 0.00 0.00 177.57 179.33 1qck h LEU 46 N 0.38 1.15 -0.75 2.57 5.85 -1.30 -1.25 115.31 121.95 1qck h LEU 46 Ca -0.12 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1qck h LEU 46 Cb 1.66 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.32 1qck h LEU 46 CO 0.20 0.83 0.36 1.23 -0.34 0.00 0.00 178.44 180.72 1qck h GLY 47 N 1.36 1.14 1.00 3.75 0.00 -1.36 0.90 103.07 109.86 1qck h GLY 47 Ca 0.37 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1qck h GLY 47 CO -0.08 0.01 0.36 -1.61 0.00 0.00 0.00 176.54 175.22 1qck h GLN 48 N 0.58 0.71 -0.89 4.80 5.75 -1.14 0.43 115.11 125.35 1qck h GLN 48 Ca 0.38 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1qck h GLN 48 Cb 0.47 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 1qck h GLN 48 CO -0.31 0.47 0.59 0.35 -2.65 0.00 0.00 178.83 177.28 1qck h PHE 49 N 0.74 1.12 -0.37 3.99 3.57 -0.63 -1.10 116.94 124.25 1qck h PHE 49 Ca 0.20 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.56 1qck h PHE 49 Cb -0.08 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.27 1qck h PHE 49 CO -0.04 0.70 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.26 1qck h LEU 50 N 1.20 1.01 -1.96 0.59 3.38 -0.05 -2.83 115.31 116.64 1qck h LEU 50 Ca 0.33 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1qck h LEU 50 Cb -0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 1qck h LEU 50 CO -0.08 1.28 -0.01 0.58 0.09 0.00 0.00 178.44 180.30 1qck h VAL 51 N 0.76 0.03 -0.39 1.22 2.07 0.52 -2.25 116.25 118.21 1qck h VAL 51 Ca 0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1qck h VAL 51 Cb 1.01 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1qck h VAL 51 CO 0.10 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.88 1qck n LEU 52 N -3.12 3.78 -2.82 2.57 4.77 -0.48 -4.88 117.00 116.82 1qck n LEU 52 Ca -0.01 -1.91 -0.17 0.00 -0.03 0.00 0.00 56.01 53.89 1qck n LEU 52 Cb 0.23 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1qck n LEU 52 CO 0.25 0.52 -0.10 0.29 -1.33 0.00 0.00 177.39 177.02 1qck n LYS 53 N 0.49 -2.91 -1.60 3.23 5.02 -0.85 0.12 118.16 121.66 1qck n LYS 53 Ca 0.17 0.60 -0.21 0.00 -2.02 0.00 0.00 58.31 56.86 1qck n LYS 53 Cb 0.78 -5.27 -0.09 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.26 -1.46 -2.00 1.97 5.02 -1.09 -4.89 118.16 112.45 1qck n LYS 54 Ca -0.10 1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.99 1qck n LYS 54 Cb 0.59 -5.62 -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 -2.77 6.05 0.19 4.39 1.01 0.12 -4.86 116.67 120.79 1qck s ASP 55 Ca 0.00 1.49 -0.10 0.00 0.71 0.00 0.00 52.55 54.65 1qck s ASP 55 Cb 0.00 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.52 1qck s ASP 55 CO 0.00 -1.55 1.74 -0.08 0.21 0.00 0.00 175.17 175.49 1qck h GLU 56 N 12.20 1.05 -0.41 8.23 4.81 -1.90 0.52 114.58 139.09 1qck h GLU 56 Ca -0.35 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 58.53 1qck h GLU 56 Cb 1.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1qck h GLU 56 CO 1.01 0.89 -0.35 -0.44 -0.73 0.00 0.00 179.01 179.39 1qck h ASP 57 N 1.00 1.01 -0.38 1.04 3.32 -1.99 0.24 116.42 120.67 1qck h ASP 57 Ca 0.23 -0.45 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1qck h ASP 57 Cb 0.24 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1qck h ASP 57 CO -0.01 1.25 -0.40 -0.07 -1.72 0.00 0.00 179.24 178.29 1qck h LEU 58 N 0.79 1.01 -0.00 1.55 3.38 -1.92 -1.43 115.31 118.69 1qck h LEU 58 Ca 0.07 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qck h LEU 58 Cb 0.94 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1qck h LEU 58 CO 0.09 1.28 0.00 0.15 0.09 0.00 0.00 178.44 180.04 1qck h PHE 59 N 0.76 0.00 -0.48 1.13 3.57 -0.76 0.11 116.94 121.28 1qck h PHE 59 Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 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 0.20 0.28 0.00 -2.23 0.00 0.00 178.31 176.63 1qck h ARG 60 N -0.20 0.66 -0.56 1.11 3.08 -0.92 -0.49 114.38 117.06 1qck h ARG 60 Ca 0.00 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1qck h ARG 60 Cb 0.20 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1qck h ARG 60 CO -0.00 0.50 0.07 0.93 -1.07 0.00 0.00 179.97 180.40 1qck h GLU 61 N 0.64 0.91 -0.15 0.04 5.08 -1.20 -0.33 114.58 119.56 1qck h GLU 61 Ca 0.17 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1qck h GLU 61 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1qck h GLU 61 CO -0.03 0.86 0.05 2.35 -1.00 0.00 0.00 179.01 181.23 1qck h TRP 62 N 0.85 0.24 -0.13 4.33 7.01 -0.40 0.20 115.95 128.04 1qck h TRP 62 Ca 0.17 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 1qck h TRP 62 Cb 0.41 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1qck h TRP 62 CO 0.02 0.35 -0.10 1.25 -2.79 0.00 0.00 178.44 177.18 1qck h LEU 63 N 0.06 0.32 -0.27 0.65 5.85 -0.95 0.27 115.31 121.23 1qck h LEU 63 Ca 0.05 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1qck h LEU 63 Cb 0.22 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1qck h LEU 63 CO -0.00 0.70 0.15 0.50 -0.34 0.00 0.00 178.44 179.45 1qck h LYS 64 N -0.06 0.38 0.00 1.25 3.64 -1.06 0.28 116.57 121.00 1qck h LYS 64 Ca 0.03 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1qck h LYS 64 Cb 0.60 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1qck h LYS 64 CO 0.03 0.33 -0.42 -0.44 -2.27 0.00 0.00 179.45 176.68 1qck h ASP 65 N 0.33 0.00 0.86 4.20 3.32 -0.60 0.58 116.42 125.11 1qck h ASP 65 Ca 0.10 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.91 1qck h ASP 65 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1qck h ASP 65 CO -0.02 0.42 -1.12 0.74 -1.72 0.00 0.00 179.24 177.55 1qck h THR 66 N 0.00 1.60 0.00 0.35 2.02 0.10 -3.42 112.91 113.57 1qck h THR 66 Ca -0.00 -3.28 0.00 0.00 0.77 0.00 0.00 66.41 63.90 1qck h THR 66 Cb 0.82 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1qck h THR 66 CO 0.05 0.93 -0.34 0.00 0.37 0.00 0.00 175.52 176.53 1qck n GLY 68 N 1.02 1.06 3.47 0.00 0.00 0.20 -5.04 105.19 105.91 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 -1.81 -1.58 -1.96 4.61 0.00 -1.25 -4.95 120.51 113.56 1qck n ALA 69 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.90 1qck n ALA 69 Cb 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 19.45 17.65 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 4.78 0.38 0.00 2.47 -1.26 -4.62 114.94 115.11 1qck s ASN 70 Ca 0.65 0.14 0.07 0.00 0.42 0.00 0.00 52.86 54.13 1qck s ASN 70 Cb -0.32 -0.78 0.76 0.00 -1.45 0.00 0.00 41.25 39.45 1qck s ASN 70 CO 0.59 -1.56 1.95 0.00 -3.72 0.00 0.00 177.10 174.36 1qck h ALA 71 N -0.42 1.53 -0.17 1.71 0.00 -2.00 -1.80 119.26 118.12 1qck h ALA 71 Ca -0.42 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 1qck h ALA 71 Cb 1.30 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1qck h ALA 71 CO 0.53 0.35 -0.69 0.87 0.00 0.00 0.00 179.25 180.30 1qck h LYS 72 N 0.42 0.76 -0.26 0.00 1.57 -2.01 -2.90 116.57 114.16 1qck h LYS 72 Ca 0.10 -0.60 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 1qck h LYS 72 Cb 0.21 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1qck h LYS 72 CO 0.00 1.21 -0.29 1.96 -0.57 0.00 0.00 179.45 181.76 1qck h GLN 73 N 0.49 0.52 -0.39 3.15 1.08 -1.83 -2.98 115.11 115.16 1qck h GLN 73 Ca -0.04 -0.22 -0.13 0.00 -1.45 0.00 0.00 58.65 56.82 1qck h GLN 73 Cb 1.32 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1qck h GLN 73 CO 0.14 0.76 -0.27 1.03 -0.95 0.00 0.00 178.83 179.55 1qck h SER 74 N 0.45 0.85 -0.63 1.46 0.87 -1.34 -2.85 113.55 112.36 1qck h SER 74 Ca 0.06 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1qck h SER 74 Cb 0.74 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 1qck h SER 74 CO 0.06 1.07 0.41 0.03 -0.53 0.00 0.00 176.83 177.87 1qck h ARG 75 N 0.70 0.83 -0.44 2.24 3.08 -1.35 -1.50 114.38 117.95 1qck h ARG 75 Ca 0.09 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 1qck h ARG 75 Cb 0.81 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1qck h ARG 75 CO 0.07 0.55 -0.30 -0.44 -1.07 0.00 0.00 179.97 178.78 1qck h ASP 76 N 0.86 1.01 -0.36 7.04 3.32 -1.45 -2.69 116.42 124.15 1qck h ASP 76 Ca 0.23 -0.42 -0.16 0.00 0.02 0.00 0.00 57.03 56.70 1qck h ASP 76 Cb -0.09 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.17 1qck h ASP 76 CO -0.05 1.23 -0.40 0.00 -1.72 0.00 0.00 179.24 178.30 1qck h PHE 78 N 0.71 -1.28 -0.31 0.00 3.57 -1.25 0.67 116.94 119.06 1qck h PHE 78 Ca 0.05 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1qck h PHE 78 Cb 0.99 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 1qck h PHE 78 CO 0.07 -0.78 0.06 0.78 -2.23 0.00 0.00 178.31 176.20 1qck h GLY 79 N -1.35 0.49 0.70 2.40 0.00 -1.55 0.95 103.07 104.71 1qck h GLY 79 Ca -0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1qck h GLY 79 CO 0.22 0.24 -0.17 0.00 0.00 0.00 0.00 176.54 176.82 1qck h LEU 81 N -0.10 0.97 -0.72 0.00 3.38 0.65 -2.21 115.31 117.26 1qck h LEU 81 Ca 0.01 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 1qck h LEU 81 Cb 0.73 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1qck h LEU 81 CO 0.04 1.33 0.19 -0.09 0.09 0.00 0.00 178.44 180.00 1qck h ARG 82 N 0.65 1.15 -0.30 1.13 2.43 0.96 -2.38 114.38 118.02 1qck h ARG 82 Ca 0.01 -0.27 -0.15 0.00 -0.81 0.00 0.00 59.98 58.76 1qck h ARG 82 Cb 1.17 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1qck h ARG 82 CO 0.12 1.00 -0.42 0.93 -1.51 0.00 0.00 179.97 180.10 1qck h GLU 83 N 1.09 0.73 -0.72 0.20 5.08 -0.57 -2.31 114.58 118.07 1qck h GLU 83 Ca 0.23 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1qck h GLU 83 Cb 0.36 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1qck h GLU 83 CO -0.00 1.01 0.48 2.35 -1.00 0.00 0.00 179.01 181.85 1qck h TRP 84 N 0.60 0.91 -0.95 4.33 7.01 -1.19 -1.78 115.95 124.87 1qck h TRP 84 Ca 0.05 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1qck h TRP 84 Cb 0.97 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 1qck h TRP 84 CO 0.05 0.57 0.58 0.00 -2.79 0.00 0.00 178.44 176.85 1qck h ASP 86 N 1.31 0.25 0.26 0.00 3.32 -0.77 2.20 116.42 123.00 1qck h ASP 86 Ca 0.34 -0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.05 1qck h ASP 86 Cb -0.07 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1qck h ASP 86 CO -0.07 0.18 -1.97 0.00 -1.72 0.00 0.00 179.24 175.67 1qck n ALA 87 N -2.52 1.30 0.43 3.45 0.00 -0.61 -4.37 120.51 118.19 1qck n ALA 87 Ca 0.03 -0.82 0.07 0.00 0.00 0.00 0.00 53.44 52.72 1qck n ALA 87 Cb 0.17 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.16 0.14 -1.45 0.00 3.72 0.97 -5.12 117.46 112.56 1qck n PHE 88 Ca -0.26 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1qck n PHE 88 Cb 1.06 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60