#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 4.58 0.33 1.12 2.01 -1.26 -5.01 115.64 117.40 1qck s THR 2 Ca 0.00 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.13 1qck s THR 2 Cb 0.00 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 1qck s THR 2 CO 0.00 -1.41 0.11 0.42 -0.69 0.00 0.00 174.62 173.05 1qck s THR 3 N 3.26 3.07 1.02 -0.82 -4.23 -1.26 -5.13 115.64 111.56 1qck s THR 3 Ca 0.24 -1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1qck s THR 3 Cb -0.14 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 70.95 1qck s THR 3 CO 0.02 -0.21 1.15 -0.55 -0.54 0.00 0.00 174.62 174.48 1qck s SER 4 N -3.81 2.51 0.59 3.99 0.15 -1.26 -4.84 113.70 111.02 1qck s SER 4 Ca 0.36 0.81 0.29 0.00 0.70 0.00 0.00 55.95 58.12 1qck s SER 4 Cb -0.03 -1.24 1.58 0.00 -1.71 0.00 0.00 66.02 64.62 1qck s SER 4 CO 0.22 -3.16 1.87 1.56 1.20 0.00 0.00 173.24 174.93 1qck h GLN 5 N -1.92 0.00 -0.72 5.44 4.20 -2.01 -1.15 115.11 118.95 1qck h GLN 5 Ca -0.49 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.23 1qck h GLN 5 Cb 1.31 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.05 1qck h GLN 5 CO 0.50 0.00 0.48 0.87 -0.67 0.00 0.00 178.83 180.01 1qck h LYS 6 N 0.00 0.94 0.08 1.46 1.57 -1.97 -0.26 116.57 118.39 1qck h LYS 6 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1qck h LYS 6 Cb 0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1qck h LYS 6 CO 0.00 0.62 -0.04 1.25 -0.57 0.00 0.00 179.45 180.71 1qck h HIS 7 N 0.97 -0.11 -0.13 -1.35 2.76 -1.53 0.30 115.15 116.06 1qck h HIS 7 Ca 0.26 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.31 1qck h HIS 7 Cb -0.11 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1qck h HIS 7 CO -0.00 -0.07 -0.46 0.00 -1.30 0.00 0.00 177.93 176.10 1qck h ARG 8 N -0.11 0.31 -0.40 5.26 -0.00 -1.66 -2.71 114.38 115.06 1qck h ARG 8 Ca -0.01 -0.17 -0.15 0.00 -0.50 0.00 0.00 59.98 59.15 1qck h ARG 8 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 1qck h ARG 8 CO 0.01 0.71 -0.35 -0.44 0.00 0.00 0.00 179.97 179.91 1qck h ASP 9 N 0.25 0.99 -0.11 7.04 3.32 -0.72 -1.98 116.42 125.21 1qck h ASP 9 Ca 0.02 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1qck h ASP 9 Cb 0.91 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1qck h ASP 9 CO 0.08 1.23 0.04 0.15 -1.72 0.00 0.00 179.24 179.01 1qck h PHE 10 N 0.77 0.18 -0.13 4.55 3.57 -0.28 -2.43 116.94 123.18 1qck h PHE 10 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1qck h PHE 10 Cb 0.93 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1qck h PHE 10 CO 0.06 0.30 0.00 1.33 -2.23 0.00 0.00 178.31 177.77 1qck n VAL 11 N -4.89 0.22 0.42 1.41 0.24 -1.04 -3.27 118.33 111.42 1qck n VAL 11 Ca -0.06 -0.19 0.06 0.00 -2.04 0.00 0.00 64.34 62.11 1qck n VAL 11 Cb 0.13 0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.08 3.28 -3.35 2.33 0.00 -0.75 -4.95 120.51 117.00 1qck n ALA 12 Ca 0.05 -0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 1qck n ALA 12 Cb 0.15 -0.43 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.33 0.90 0.89 0.00 -1.05 -1.10 -5.06 118.70 110.95 1qck s GLU 13 Ca 0.02 -0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.63 1qck s GLU 13 Cb 0.09 0.41 -0.12 0.00 -0.44 0.00 0.00 34.13 34.07 1qck s GLU 13 CO 0.50 -0.28 -0.46 -2.30 0.95 0.00 0.00 175.26 173.66 1qck n PRO 14 N 0.92 -0.01 0.03 -4.83 -0.02 -1.26 -4.76 135.00 125.07 1qck n PRO 14 Ca -0.20 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.33 1qck n PRO 14 Cb 0.57 -1.15 -0.08 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.64 0.63 0.00 -0.52 0.00 -1.26 -5.01 117.12 112.60 1qck n MET 15 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1qck n MET 15 Cb 0.54 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 32.03 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 1.34 2.91 1.91 3.17 0.00 -1.26 -2.39 105.19 110.88 1qck n GLY 16 Ca -0.08 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 2.28 -1.74 1.61 1.02 -1.26 -4.78 120.64 131.77 1qck n GLU 17 Ca 0.00 -3.06 -0.37 0.00 -0.02 0.00 0.00 57.16 53.70 1qck n GLU 17 Cb 0.00 -2.08 0.06 0.00 -0.02 0.00 0.00 31.44 29.40 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 -3.26 2.69 0.87 3.49 1.02 -1.00 -4.86 119.74 118.69 1qck s LYS 18 Ca 0.53 2.13 -0.10 0.00 0.02 0.00 0.00 55.97 58.55 1qck s LYS 18 Cb 0.46 -1.95 0.11 0.00 -0.52 0.00 0.00 37.83 35.93 1qck s LYS 18 CO 0.08 -1.51 1.11 -1.25 -0.92 0.00 0.00 175.35 172.86 1qck s PRO 19 N -3.25 1.45 0.13 -1.68 0.04 -1.26 -2.93 135.00 127.49 1qck s PRO 19 Ca 0.80 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1qck s PRO 19 Cb -0.39 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1qck s PRO 19 CO 0.42 -2.25 1.73 -0.24 0.04 0.00 0.00 177.00 176.71 1qck h VAL 20 N -1.58 0.88 0.00 -0.36 3.04 -1.79 -0.23 116.25 116.21 1qck h VAL 20 Ca -0.45 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1qck h VAL 20 Cb 1.26 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1qck h VAL 20 CO 0.47 0.02 0.03 0.61 -1.01 0.00 0.00 177.57 177.69 1qck n GLY 21 N -1.18 -0.11 0.14 3.17 0.00 -1.26 -5.74 105.19 100.20 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 -3.89 1.61 4.64 -1.29 -3.43 113.55 111.19 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 0.05 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.24 1qck h SER 22 CO 0.00 0.47 0.74 -0.76 -0.87 0.00 0.00 176.83 176.41 1qck s LEU 23 N -6.33 4.35 0.23 5.97 1.43 -1.26 -4.91 118.68 118.15 1qck s LEU 23 Ca 0.03 2.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.77 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 0.75 -0.77 1.44 0.00 0.23 0.00 0.00 176.35 178.00 1qck s ALA 24 N -1.06 3.63 0.00 4.21 0.00 -1.26 -2.07 121.76 125.21 1qck s ALA 24 Ca 0.52 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1qck s ALA 24 Cb -0.45 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1qck s ALA 24 CO 0.59 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1qck n GLY 25 N 2.46 3.47 3.55 0.00 0.00 -1.26 -3.05 105.19 110.36 1qck n GLY 25 Ca 0.08 0.00 -0.40 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 -3.00 5.29 0.71 -0.61 -1.09 -0.88 -4.76 121.20 116.86 1qck s ILE 26 Ca 0.00 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1qck s ILE 26 Cb 0.00 -3.66 0.12 0.00 -1.58 0.00 0.00 42.46 37.34 1qck s ILE 26 CO 0.00 0.07 0.97 -0.83 -1.23 0.00 0.00 174.94 173.92 1qck s GLY 27 N 1.73 1.76 0.28 6.18 0.00 -1.26 -4.62 107.32 111.39 1qck s GLY 27 Ca 0.07 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.05 1qck s GLY 27 CO 0.11 -1.18 1.87 0.83 0.00 0.00 0.00 173.10 174.73 1qck h GLU 28 N -0.47 1.08 -0.32 2.90 5.08 -1.98 0.52 114.58 121.39 1qck h GLU 28 Ca -0.36 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 1qck h GLU 28 Cb 1.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1qck h GLU 28 CO 0.41 0.71 -0.23 0.28 -1.00 0.00 0.00 179.01 179.18 1qck h VAL 29 N 1.11 1.29 -0.47 3.13 2.07 -2.00 -2.23 116.25 119.15 1qck h VAL 29 Ca 0.45 -1.38 -0.14 0.00 0.82 0.00 0.00 66.70 66.46 1qck h VAL 29 Cb 0.27 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1qck h VAL 29 CO -0.20 0.44 -0.24 -0.07 0.02 0.00 0.00 177.57 177.53 1qck h LEU 30 N 0.47 1.03 -0.98 2.57 3.38 -1.68 -2.92 115.31 117.19 1qck h LEU 30 Ca 0.06 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1qck h LEU 30 Cb 0.79 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1qck h LEU 30 CO 0.06 1.20 0.61 1.23 0.09 0.00 0.00 178.44 181.64 1qck h GLY 31 N 0.85 1.40 1.04 0.83 0.00 0.06 -2.25 103.07 105.00 1qck h GLY 31 Ca 0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1qck h GLY 31 CO 0.07 0.54 0.42 1.70 0.00 0.00 0.00 176.54 179.28 1qck h LYS 32 N 1.33 1.24 -0.00 4.80 3.64 -1.22 0.20 116.57 126.56 1qck h LYS 32 Ca 0.35 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1qck h LYS 32 Cb -0.09 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1qck h LYS 32 CO -0.07 0.94 0.00 0.87 -2.27 0.00 0.00 179.45 178.92 1qck h LYS 33 N 1.23 0.01 -0.95 1.90 1.57 -1.24 -1.44 116.57 117.64 1qck h LYS 33 Ca 0.30 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1qck h LYS 33 Cb 0.11 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1qck h LYS 33 CO -0.04 0.25 0.63 -0.07 -0.57 0.00 0.00 179.45 179.65 1qck h LEU 34 N -0.23 1.10 -0.55 2.94 3.38 -1.30 -2.36 115.31 118.28 1qck h LEU 34 Ca 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1qck h LEU 34 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1qck h LEU 34 CO 0.00 0.80 0.37 -0.08 0.09 0.00 0.00 178.44 179.61 1qck h GLU 35 N 1.29 0.73 0.00 1.13 4.81 -0.66 -0.30 114.58 121.59 1qck h GLU 35 Ca 0.35 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1qck h GLU 35 Cb -0.15 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.07 1qck h GLU 35 CO -0.08 0.48 0.00 0.93 -0.73 0.00 0.00 179.01 179.62 1qck h GLU 36 N 0.75 0.00 -0.08 1.92 5.08 -0.77 -1.70 114.58 119.77 1qck h GLU 36 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1qck h GLU 36 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1qck h GLU 36 CO -0.04 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.51 1qck n ARG 37 N -2.94 1.70 0.00 2.33 1.74 -0.22 -4.89 116.66 114.38 1qck n ARG 37 Ca -0.00 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 1qck n ARG 37 Cb 0.22 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1qck n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qck n GLY 38 N 1.16 0.90 3.00 -0.13 0.00 -0.64 -5.03 105.19 104.45 1qck n GLY 38 Ca 0.18 0.00 -0.40 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 -1.26 3.42 1.00 1.61 3.01 -0.60 -4.80 117.46 119.85 1qck n PHE 39 Ca 0.00 -3.37 0.14 0.00 1.01 0.00 0.00 57.45 55.23 1qck n PHE 39 Cb 0.00 -1.21 0.62 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 1.68 0.00 -4.19 4.37 5.75 -1.26 -3.61 116.55 119.29 1qck n ASP 40 Ca 0.25 0.49 -0.17 0.00 -0.01 0.00 0.00 54.79 55.36 1qck n ASP 40 Cb 0.36 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 39.84 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 -3.00 0.89 0.19 0.11 -0.14 -1.26 -3.94 119.74 112.59 1qck s LYS 41 Ca 0.14 -1.09 -0.09 0.00 -1.36 0.00 0.00 55.97 53.57 1qck s LYS 41 Cb 0.19 -0.78 0.09 0.00 -1.68 0.00 0.00 37.83 35.65 1qck s LYS 41 CO 0.53 0.16 1.67 0.00 -0.76 0.00 0.00 175.35 176.95 1qck h ALA 42 N 3.88 0.88 0.00 5.17 0.00 -1.70 -2.67 119.26 124.82 1qck h ALA 42 Ca -0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1qck h ALA 42 Cb 1.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qck h ALA 42 CO 0.46 0.67 0.17 0.10 0.00 0.00 0.00 179.25 180.66 1qck h TYR 43 N 1.02 0.00 0.07 0.00 -0.00 -1.86 0.39 116.97 116.59 1qck h TYR 43 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.67 1qck h TYR 43 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.22 1qck h TYR 43 CO 0.04 0.00 -1.13 0.28 -0.00 0.00 0.00 178.16 177.35 1qck h VAL 44 N 0.00 1.57 0.06 -0.90 2.07 -1.88 -2.64 116.25 114.53 1qck h VAL 44 Ca 0.00 -3.15 -0.28 0.00 0.82 0.00 0.00 66.70 64.09 1qck h VAL 44 Cb 0.34 2.87 0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1qck h VAL 44 CO 0.00 0.91 -1.13 0.58 0.02 0.00 0.00 177.57 177.95 1qck h VAL 45 N 0.05 1.30 -0.81 2.57 2.07 -0.40 -2.98 116.25 118.05 1qck h VAL 45 Ca -0.08 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.05 1qck h VAL 45 Cb 1.86 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 34.13 1qck h VAL 45 CO 0.17 0.73 0.54 0.25 0.02 0.00 0.00 177.57 179.28 1qck h LEU 46 N 0.31 0.94 -0.90 2.57 5.85 -1.18 -1.35 115.31 121.55 1qck h LEU 46 Ca -0.15 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1qck h LEU 46 Cb 1.79 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 1qck h LEU 46 CO 0.21 0.68 0.59 1.23 -0.34 0.00 0.00 178.44 180.81 1qck h GLY 47 N 1.11 1.30 1.00 3.75 0.00 -1.37 -1.07 103.07 107.78 1qck h GLY 47 Ca 0.30 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1qck h GLY 47 CO -0.06 0.40 0.45 -1.61 0.00 0.00 0.00 176.54 175.71 1qck h GLN 48 N 1.15 0.89 -1.00 4.80 5.75 -1.11 0.44 115.11 126.04 1qck h GLN 48 Ca 0.35 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.81 1qck h GLN 48 Cb -0.03 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.27 1qck h GLN 48 CO -0.11 0.59 0.66 0.35 -2.65 0.00 0.00 178.83 177.67 1qck h PHE 49 N 0.92 1.26 -0.39 3.99 3.57 -0.98 0.13 116.94 125.43 1qck h PHE 49 Ca 0.25 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.62 1qck h PHE 49 Cb -0.10 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.21 1qck h PHE 49 CO -0.03 0.80 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.40 1qck h LEU 50 N 1.36 1.01 -1.46 0.59 3.38 -0.01 -2.78 115.31 117.40 1qck h LEU 50 Ca 0.37 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1qck h LEU 50 Cb -0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.30 1qck h LEU 50 CO -0.08 1.27 -0.23 0.58 0.09 0.00 0.00 178.44 180.06 1qck h VAL 51 N 0.78 0.77 -0.34 1.22 2.07 0.71 -2.38 116.25 119.07 1qck h VAL 51 Ca 0.06 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1qck h VAL 51 Cb 0.98 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1qck h VAL 51 CO 0.09 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.09 1qck n LEU 52 N -3.68 2.51 -3.89 2.57 4.77 0.36 -4.92 117.00 114.72 1qck n LEU 52 Ca -0.01 -1.26 -0.26 0.00 -0.03 0.00 0.00 56.01 54.44 1qck n LEU 52 Cb 0.35 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1qck n LEU 52 CO 0.34 0.48 -0.19 0.29 -1.33 0.00 0.00 177.39 176.97 1qck n LYS 53 N 0.49 -3.10 -1.15 3.23 4.01 -0.90 -0.08 118.16 120.67 1qck n LYS 53 Ca 0.13 0.43 -0.02 0.00 -0.51 0.00 0.00 58.31 58.34 1qck n LYS 53 Cb 0.47 -4.50 -0.01 0.00 -0.51 0.00 0.00 35.03 30.48 1qck n LYS 53 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1qck n LYS 54 N -4.37 -1.16 -1.84 1.97 2.85 -1.07 -4.77 118.16 109.77 1qck n LYS 54 Ca -0.28 0.11 -0.40 0.00 -1.05 0.00 0.00 58.31 56.69 1qck n LYS 54 Cb 0.67 -4.17 -0.03 0.00 -0.65 0.00 0.00 35.03 30.85 1qck n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qck s ASP 55 N -1.21 5.35 0.23 -5.58 1.01 0.88 -4.83 116.67 112.52 1qck s ASP 55 Ca 0.00 1.13 -0.07 0.00 0.71 0.00 0.00 52.55 54.32 1qck s ASP 55 Cb 0.00 -2.52 0.21 0.00 1.01 0.00 0.00 42.92 41.62 1qck s ASP 55 CO 0.00 -2.17 1.86 -0.08 0.21 0.00 0.00 175.17 174.99 1qck h GLU 56 N 15.22 1.24 -0.39 8.23 4.81 -1.88 0.57 114.58 142.39 1qck h GLU 56 Ca -0.31 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.62 1qck h GLU 56 Cb 1.20 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1qck h GLU 56 CO 1.09 0.90 -0.38 -0.44 -0.73 0.00 0.00 179.01 179.45 1qck h ASP 57 N 1.25 1.01 -0.35 1.04 3.32 -1.98 0.02 116.42 120.72 1qck h ASP 57 Ca 0.32 -0.46 -0.17 0.00 0.02 0.00 0.00 57.03 56.73 1qck h ASP 57 Cb 0.01 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1qck h ASP 57 CO -0.05 1.27 -0.44 -0.07 -1.72 0.00 0.00 179.24 178.23 1qck h LEU 58 N 0.77 1.00 0.00 1.55 3.38 -1.90 -0.08 115.31 120.04 1qck h LEU 58 Ca 0.06 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1qck h LEU 58 Cb 0.98 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1qck h LEU 58 CO 0.10 1.29 -0.00 0.15 0.09 0.00 0.00 178.44 180.06 1qck h PHE 59 N 0.73 -0.00 -0.42 1.13 3.57 -0.79 0.39 116.94 121.55 1qck h PHE 59 Ca 0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1qck h PHE 59 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1qck h PHE 59 CO 0.07 0.19 0.18 0.00 -2.23 0.00 0.00 178.31 176.52 1qck h ARG 60 N -0.20 0.61 -0.70 1.11 3.08 -0.97 0.13 114.38 117.44 1qck h ARG 60 Ca -0.00 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1qck h ARG 60 Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1qck h ARG 60 CO 0.00 0.55 0.14 1.49 -1.07 0.00 0.00 179.97 181.08 1qck h GLU 61 N 0.53 1.14 -0.13 0.04 4.22 -0.91 0.07 114.58 119.54 1qck h GLU 61 Ca 0.14 -0.29 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 1qck h GLU 61 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1qck h GLU 61 CO -0.01 1.02 0.02 2.35 -2.18 0.00 0.00 179.01 180.20 1qck h TRP 62 N 1.07 0.24 -0.22 0.92 7.01 0.19 -0.74 115.95 124.42 1qck h TRP 62 Ca 0.22 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 1qck h TRP 62 Cb 0.41 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1qck h TRP 62 CO 0.03 0.41 -0.06 1.25 -2.79 0.00 0.00 178.44 177.28 1qck h LEU 63 N -0.00 0.43 -0.13 0.65 5.85 -0.63 0.10 115.31 121.58 1qck h LEU 63 Ca 0.04 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1qck h LEU 63 Cb 0.30 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1qck h LEU 63 CO 0.00 0.71 0.06 0.50 -0.34 0.00 0.00 178.44 179.37 1qck h LYS 64 N 0.15 0.18 0.00 1.25 3.64 -1.00 -1.17 116.57 119.62 1qck h LYS 64 Ca 0.05 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1qck h LYS 64 Cb 0.53 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1qck h LYS 64 CO 0.02 0.26 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.78 1qck h ASP 65 N 0.07 0.00 0.65 4.20 3.32 -1.14 0.67 116.42 124.19 1qck h ASP 65 Ca 0.04 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.83 1qck h ASP 65 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1qck h ASP 65 CO -0.00 0.24 -1.19 0.74 -1.72 0.00 0.00 179.24 177.30 1qck h THR 66 N 0.00 1.51 0.00 0.35 2.02 -0.34 -3.41 112.91 113.04 1qck h THR 66 Ca -0.00 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1qck h THR 66 Cb 0.69 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1qck h THR 66 CO 0.03 0.89 -0.35 0.00 0.37 0.00 0.00 175.52 176.46 1qck n GLY 68 N 0.88 0.99 3.45 0.00 0.00 0.23 -5.04 105.19 105.71 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 -1.97 -1.53 -1.95 4.61 0.00 -1.25 -4.96 120.51 113.46 1qck n ALA 69 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1qck n ALA 69 Cb 0.00 -1.82 0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.36 5.03 0.40 0.00 3.84 -1.26 -4.62 114.94 116.97 1qck s ASN 70 Ca 0.66 0.22 0.06 0.00 0.21 0.00 0.00 52.86 54.01 1qck s ASN 70 Cb -0.38 -0.99 0.83 0.00 -0.55 0.00 0.00 41.25 40.16 1qck s ASN 70 CO 0.58 -1.38 2.05 0.00 -2.79 0.00 0.00 177.10 175.56 1qck h ALA 71 N -0.27 1.68 -0.27 1.71 0.00 -1.99 -1.59 119.26 118.53 1qck h ALA 71 Ca -0.43 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1qck h ALA 71 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1qck h ALA 71 CO 0.56 0.29 -0.59 0.87 0.00 0.00 0.00 179.25 180.39 1qck h LYS 72 N 0.60 0.87 -0.37 0.00 1.57 -2.00 -2.80 116.57 114.44 1qck h LYS 72 Ca 0.16 -0.58 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 1qck h LYS 72 Cb -0.06 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1qck h LYS 72 CO -0.03 1.21 -0.29 1.96 -0.57 0.00 0.00 179.45 181.72 1qck h GLN 73 N 0.66 0.79 -0.43 3.15 4.20 -1.75 -3.04 115.11 118.69 1qck h GLN 73 Ca 0.00 -0.36 -0.11 0.00 0.06 0.00 0.00 58.65 58.24 1qck h GLN 73 Cb 1.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1qck h GLN 73 CO 0.13 0.99 -0.18 0.77 -0.67 0.00 0.00 178.83 179.87 1qck h SER 74 N 0.67 0.84 -0.81 1.46 0.02 -1.31 -2.77 113.55 111.65 1qck h SER 74 Ca 0.08 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1qck h SER 74 Cb 0.83 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1qck h SER 74 CO 0.07 1.01 0.54 0.03 -1.14 0.00 0.00 176.83 177.34 1qck h ARG 75 N 0.73 1.07 -0.48 3.45 3.08 -1.39 -1.24 114.38 119.61 1qck h ARG 75 Ca 0.11 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1qck h ARG 75 Cb 0.70 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1qck h ARG 75 CO 0.05 0.71 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.99 1qck h ASP 76 N 1.10 1.03 -0.57 7.04 3.32 -1.40 -2.48 116.42 124.47 1qck h ASP 76 Ca 0.30 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1qck h ASP 76 Cb -0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.12 1qck h ASP 76 CO -0.06 1.20 -0.08 0.00 -1.72 0.00 0.00 179.24 178.57 1qck h PHE 78 N 0.94 -1.20 -0.30 0.00 3.57 -1.09 0.50 116.94 119.37 1qck h PHE 78 Ca 0.15 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1qck h PHE 78 Cb 0.65 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1qck h PHE 78 CO 0.05 -0.72 -0.04 0.78 -2.23 0.00 0.00 178.31 176.15 1qck h GLY 79 N -1.22 0.50 0.54 2.40 0.00 -1.46 0.66 103.07 104.50 1qck h GLY 79 Ca -0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1qck h GLY 79 CO 0.17 0.28 -0.00 0.00 0.00 0.00 0.00 176.54 176.99 1qck h LEU 81 N -0.45 1.01 -0.81 0.00 3.38 0.15 -2.26 115.31 116.32 1qck h LEU 81 Ca 0.00 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1qck h LEU 81 Cb 0.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1qck h LEU 81 CO 0.00 1.28 0.34 -0.09 0.09 0.00 0.00 178.44 180.06 1qck h ARG 82 N 0.76 1.21 -0.28 1.13 2.43 0.36 -2.38 114.38 117.60 1qck h ARG 82 Ca 0.05 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 1qck h ARG 82 Cb 1.01 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1qck h ARG 82 CO 0.10 0.96 -0.37 0.93 -1.51 0.00 0.00 179.97 180.08 1qck h GLU 83 N 1.18 0.65 -0.73 0.20 4.39 -0.65 -1.39 114.58 118.24 1qck h GLU 83 Ca 0.27 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1qck h GLU 83 Cb 0.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 1qck h GLU 83 CO -0.03 0.92 0.48 2.35 -1.16 0.00 0.00 179.01 181.58 1qck h TRP 84 N 0.54 0.92 -0.76 4.33 7.01 -1.07 -0.38 115.95 126.54 1qck h TRP 84 Ca 0.05 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 1qck h TRP 84 Cb 0.89 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 1qck h TRP 84 CO 0.04 0.57 0.24 0.00 -2.79 0.00 0.00 178.44 176.51 1qck h ASP 86 N 1.13 0.92 0.23 0.00 3.32 -0.11 -1.37 116.42 120.54 1qck h ASP 86 Ca 0.25 -0.04 -0.35 0.00 0.02 0.00 0.00 57.03 56.91 1qck h ASP 86 Cb 0.30 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1qck h ASP 86 CO -0.01 0.69 -1.74 0.00 -1.72 0.00 0.00 179.24 176.46 1qck h ALA 87 N 1.47 0.20 -3.00 3.45 0.00 -0.58 -3.44 119.26 117.36 1qck h ALA 87 Ca 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1qck h ALA 87 Cb -0.08 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qck h ALA 87 CO -0.06 1.07 0.00 1.19 0.00 0.00 0.00 179.25 181.45 1qck n PHE 88 N -3.55 0.00 1.67 0.00 3.72 0.22 -5.10 117.46 114.42 1qck n PHE 88 Ca -0.24 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.31 1qck n PHE 88 Cb 1.07 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 40.28 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60