#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbs s GLN 2 N 0.00 3.41 -0.21 -0.52 0.74 -1.26 -5.09 119.66 116.74 1qbs s GLN 2 Ca 0.00 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 54.98 1qbs s GLN 2 Cb 0.00 -2.91 0.05 0.00 1.10 0.00 0.00 33.01 31.25 1qbs s GLN 2 CO 0.00 0.46 -0.09 0.08 -0.55 0.00 0.00 175.29 175.19 1qbs s VAL 3 N -0.20 1.64 0.93 1.34 1.01 -1.26 -5.13 120.40 118.73 1qbs s VAL 3 Ca 0.05 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1qbs s VAL 3 Cb -0.13 -1.77 0.15 0.00 0.00 0.00 0.00 36.38 34.64 1qbs s VAL 3 CO 0.02 0.08 1.17 0.42 0.00 0.00 0.00 175.10 176.79 1qbs s THR 4 N 1.38 1.96 -0.22 3.92 -4.23 -1.26 -5.01 115.64 112.19 1qbs s THR 4 Ca -0.03 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.61 1qbs s THR 4 Cb -0.17 -2.79 0.43 0.00 1.34 0.00 0.00 72.50 71.31 1qbs s THR 4 CO -0.07 0.00 1.31 0.18 -0.54 0.00 0.00 174.62 175.49 1qbs n LEU 5 N -3.81 3.23 0.17 4.79 4.77 -1.26 -4.44 117.00 120.46 1qbs n LEU 5 Ca 0.09 -3.60 0.04 0.00 -0.03 0.00 0.00 56.01 52.51 1qbs n LEU 5 Cb 0.60 -0.55 0.26 0.00 -2.33 0.00 0.00 43.42 41.40 1qbs n LEU 5 CO 0.54 1.13 0.62 -0.50 -1.33 0.00 0.00 177.39 177.86 1qbs h TRP 6 N 0.89 0.00 -1.90 -1.77 4.06 -2.06 -3.44 115.95 111.73 1qbs h TRP 6 Ca 0.07 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.41 1qbs h TRP 6 Cb 1.26 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.29 1qbs h TRP 6 CO 0.66 0.43 -0.66 -0.65 -3.56 0.00 0.00 178.44 174.66 1qbs s GLN 7 N -3.46 1.87 0.23 0.49 -1.52 -1.26 -5.09 119.66 110.92 1qbs s GLN 7 Ca 0.01 -1.93 -0.31 0.00 -1.95 0.00 0.00 55.36 51.17 1qbs s GLN 7 Cb 0.10 -1.73 -0.12 0.00 -0.22 0.00 0.00 33.01 31.05 1qbs s GLN 7 CO 0.70 0.12 1.70 0.54 -0.25 0.00 0.00 175.29 178.10 1qbs n ARG 8 N -0.84 2.79 -2.59 2.91 1.74 -1.26 -4.87 116.66 114.54 1qbs n ARG 8 Ca -0.05 1.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.62 1qbs n ARG 8 Cb 0.64 -2.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.22 1qbs n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1qbs s PRO 9 N 0.70 3.70 0.03 5.56 0.04 -1.26 -4.96 135.00 138.81 1qbs s PRO 9 Ca 0.72 -1.39 -0.00 0.00 0.04 0.00 0.00 61.00 60.36 1qbs s PRO 9 Cb -0.50 -5.38 -0.04 0.00 0.04 0.00 0.00 34.50 28.62 1qbs s PRO 9 CO 0.37 -2.20 0.13 -0.51 0.04 0.00 0.00 177.00 174.83 1qbs s LEU 10 N 4.64 4.10 0.12 -3.56 1.43 -1.26 -1.88 118.68 122.27 1qbs s LEU 10 Ca 0.47 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1qbs s LEU 10 Cb 0.01 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1qbs s LEU 10 CO -0.05 0.23 -0.10 0.68 0.23 0.00 0.00 176.35 177.33 1qbs s VAL 11 N -1.34 1.05 0.20 -1.59 -7.23 -0.09 -4.95 120.40 106.45 1qbs s VAL 11 Ca 0.28 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 58.29 1qbs s VAL 11 Cb -0.12 -1.66 -0.08 0.00 0.56 0.00 0.00 36.38 35.07 1qbs s VAL 11 CO 0.20 -0.69 0.83 -0.89 -0.31 0.00 0.00 175.10 174.24 1qbs s THR 12 N -3.03 4.29 0.19 5.32 2.01 -1.26 -1.08 115.64 122.08 1qbs s THR 12 Ca 0.12 1.78 0.09 0.00 0.31 0.00 0.00 61.69 63.99 1qbs s THR 12 Cb 0.01 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1qbs s THR 12 CO -0.00 0.47 -0.17 0.27 -0.69 0.00 0.00 174.62 174.50 1qbs s ILE 13 N -1.21 1.85 -0.12 1.82 -4.36 0.09 -4.49 121.20 114.78 1qbs s ILE 13 Ca 0.38 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1qbs s ILE 13 Cb -0.23 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1qbs s ILE 13 CO 0.27 -0.43 -0.14 -0.75 0.24 0.00 0.00 174.94 174.13 1qbs s LYS 14 N -3.18 2.19 -0.02 0.37 2.20 0.89 -1.43 119.74 120.76 1qbs s LYS 14 Ca 0.20 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1qbs s LYS 14 Cb -0.04 -1.93 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1qbs s LYS 14 CO 0.07 -0.13 0.00 -1.50 -0.36 0.00 0.00 175.35 173.44 1qbs s ILE 15 N 1.18 0.11 -1.50 5.43 2.07 -0.47 -1.15 121.20 126.88 1qbs s ILE 15 Ca -0.02 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.22 1qbs s ILE 15 Cb -0.14 -0.19 0.06 0.00 0.13 0.00 0.00 42.46 42.31 1qbs s ILE 15 CO -0.05 0.11 0.68 0.61 -1.91 0.00 0.00 174.94 174.38 1qbs n GLY 16 N 3.89 -0.35 2.91 1.50 0.00 -1.26 -1.34 105.19 110.54 1qbs n GLY 16 Ca -0.24 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1qbs n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbs n GLY 17 N -1.71 2.50 3.57 -0.02 0.00 -1.26 -5.00 105.19 103.26 1qbs n GLY 17 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1qbs n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qbs s GLN 18 N -0.03 2.10 -0.10 1.61 -0.21 -0.45 -5.11 119.66 117.46 1qbs s GLN 18 Ca 0.00 -1.04 -0.04 0.00 0.02 0.00 0.00 55.36 54.31 1qbs s GLN 18 Cb 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1qbs s GLN 18 CO 0.00 0.51 0.04 -0.51 -2.12 0.00 0.00 175.29 173.21 1qbs s LEU 19 N -2.19 3.80 0.17 2.90 1.02 -1.26 -1.37 118.68 121.75 1qbs s LEU 19 Ca 0.21 0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.51 1qbs s LEU 19 Cb -0.11 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 1qbs s LEU 19 CO 0.13 0.37 0.23 -0.54 0.02 0.00 0.00 176.35 176.57 1qbs s LYS 20 N -0.83 1.16 -0.04 1.70 1.02 -0.52 -5.00 119.74 117.24 1qbs s LYS 20 Ca 0.13 -1.31 0.05 0.00 0.02 0.00 0.00 55.97 54.85 1qbs s LYS 20 Cb -0.12 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.51 1qbs s LYS 20 CO 0.03 -0.41 -0.17 -1.21 -0.92 0.00 0.00 175.35 172.67 1qbs s GLU 21 N -4.02 2.42 0.11 1.68 2.02 -1.26 -0.73 118.70 118.91 1qbs s GLU 21 Ca 0.23 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1qbs s GLU 21 Cb 0.04 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1qbs s GLU 21 CO 0.03 0.60 -0.02 0.00 0.02 0.00 0.00 175.26 175.89 1qbs s ALA 22 N -0.69 0.95 -0.10 5.21 0.00 -0.24 -4.59 121.76 122.30 1qbs s ALA 22 Ca 0.11 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1qbs s ALA 22 Cb -0.11 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1qbs s ALA 22 CO 0.00 -0.32 0.33 -1.17 0.00 0.00 0.00 175.76 174.61 1qbs s LEU 23 N -3.05 4.33 -0.27 0.00 0.20 0.03 -0.91 118.68 119.01 1qbs s LEU 23 Ca 0.15 0.67 -0.28 0.00 0.69 0.00 0.00 54.13 55.37 1qbs s LEU 23 Cb 0.06 -2.44 0.01 0.00 -0.43 0.00 0.00 46.19 43.39 1qbs s LEU 23 CO -0.03 0.18 1.02 -0.76 -0.29 0.00 0.00 176.35 176.47 1qbs s LEU 24 N -0.12 4.03 -0.27 -0.68 1.02 -0.79 -0.59 118.68 121.28 1qbs s LEU 24 Ca 0.20 1.16 0.00 0.00 0.02 0.00 0.00 54.13 55.51 1qbs s LEU 24 Cb -0.14 -3.47 0.08 0.00 0.02 0.00 0.00 46.19 42.67 1qbs s LEU 24 CO 0.07 -0.74 0.03 -0.62 0.02 0.00 0.00 176.35 175.12 1qbs s ASP 25 N 1.42 3.93 0.22 2.29 -1.08 -0.11 -4.82 116.67 118.52 1qbs s ASP 25 Ca 0.43 -1.44 0.23 0.00 -0.52 0.00 0.00 52.55 51.24 1qbs s ASP 25 Cb -0.14 -1.06 0.93 0.00 -1.46 0.00 0.00 42.92 41.19 1qbs s ASP 25 CO 0.10 -0.33 1.69 0.35 0.52 0.00 0.00 175.17 177.50 1qbs n THR 26 N 4.72 0.82 0.96 1.71 -2.24 -1.26 -2.77 114.28 116.22 1qbs n THR 26 Ca -0.06 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1qbs n THR 26 Cb 0.43 -1.08 0.52 0.00 -2.10 0.00 0.00 70.33 68.10 1qbs n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qbs n GLY 27 N 0.13 -1.46 3.45 3.38 0.00 -1.26 -4.82 105.19 104.62 1qbs n GLY 27 Ca 0.03 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1qbs n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbs s ALA 28 N -3.01 2.97 0.27 4.61 0.00 -1.11 -4.98 121.76 120.51 1qbs s ALA 28 Ca 0.13 -0.94 0.11 0.00 0.00 0.00 0.00 51.96 51.26 1qbs s ALA 28 Cb 0.18 -1.65 0.41 0.00 0.00 0.00 0.00 23.12 22.06 1qbs s ALA 28 CO 0.57 -0.02 1.64 -0.44 0.00 0.00 0.00 175.76 177.52 1qbs h ASP 29 N 7.21 0.00 -3.76 0.00 3.32 -1.87 0.39 116.42 121.71 1qbs h ASP 29 Ca -0.34 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.31 1qbs h ASP 29 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1qbs h ASP 29 CO 0.61 0.58 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.25 1qbs s ASP 30 N -6.82 1.93 -0.16 6.45 1.01 -1.26 -1.46 116.67 116.35 1qbs s ASP 30 Ca -0.01 -1.24 -0.11 0.00 0.71 0.00 0.00 52.55 51.90 1qbs s ASP 30 Cb 0.13 -0.01 -0.05 0.00 1.01 0.00 0.00 42.92 44.00 1qbs s ASP 30 CO 0.75 -0.52 0.19 -0.89 0.21 0.00 0.00 175.17 174.91 1qbs s THR 31 N -3.39 5.38 -0.04 -1.27 2.01 -1.26 -3.26 115.64 113.81 1qbs s THR 31 Ca 0.30 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 1qbs s THR 31 Cb 0.06 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.09 1qbs s THR 31 CO 0.10 0.47 0.02 0.54 -0.69 0.00 0.00 174.62 175.06 1qbs s VAL 32 N -0.00 0.15 0.07 3.82 0.11 -0.51 -0.37 120.40 123.66 1qbs s VAL 32 Ca 0.13 0.19 0.09 0.00 -2.93 0.00 0.00 61.98 59.46 1qbs s VAL 32 Cb -0.12 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1qbs s VAL 32 CO 0.02 0.19 -0.24 -0.76 -3.33 0.00 0.00 175.10 170.97 1qbs s LEU 33 N 1.60 2.21 1.01 2.54 1.02 0.97 -0.42 118.68 127.60 1qbs s LEU 33 Ca -0.02 -0.61 -0.11 0.00 0.02 0.00 0.00 54.13 53.42 1qbs s LEU 33 Cb -0.13 -1.14 0.19 0.00 0.02 0.00 0.00 46.19 45.14 1qbs s LEU 33 CO -0.03 0.19 1.07 -0.62 0.02 0.00 0.00 176.35 176.98 1qbs n GLU 34 N 1.58 -1.14 -2.15 1.70 1.02 -1.25 -0.20 120.64 120.19 1qbs n GLU 34 Ca -0.17 -0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.26 1qbs n GLU 34 Cb 0.53 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 1qbs n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1qbs s GLU 35 N -4.51 4.30 0.29 3.49 2.02 -1.22 -4.37 118.70 118.70 1qbs s GLU 35 Ca 0.67 2.08 -0.13 0.00 0.02 0.00 0.00 54.97 57.61 1qbs s GLU 35 Cb -0.24 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.66 1qbs s GLU 35 CO 0.61 -0.50 0.57 0.00 0.02 0.00 0.00 175.26 175.96 1qbs s MET 36 N 1.52 1.74 -0.24 1.61 0.23 -1.26 -5.04 119.30 117.86 1qbs s MET 36 Ca 0.65 -1.30 -0.21 0.00 -1.03 0.00 0.00 55.69 53.80 1qbs s MET 36 Cb -0.36 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.44 1qbs s MET 36 CO 0.30 -0.76 0.66 -1.12 -2.03 0.00 0.00 175.02 172.07 1qbs s SER 37 N -3.04 6.64 0.03 -1.18 0.01 -1.26 -5.04 113.70 109.86 1qbs s SER 37 Ca 0.21 0.78 0.05 0.00 1.31 0.00 0.00 55.95 58.29 1qbs s SER 37 Cb -0.02 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1qbs s SER 37 CO 0.11 -0.37 -0.14 -0.76 0.41 0.00 0.00 173.24 172.49 1qbs s LEU 38 N 2.43 2.16 0.54 2.44 1.43 -1.26 -4.97 118.68 121.45 1qbs s LEU 38 Ca 0.28 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1qbs s LEU 38 Cb -0.16 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 1qbs s LEU 38 CO 0.09 0.04 0.93 -2.16 0.23 0.00 0.00 176.35 175.47 1qbs s PRO 39 N -1.06 3.66 0.00 1.29 0.04 -1.26 -4.95 135.00 132.72 1qbs s PRO 39 Ca 0.01 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1qbs s PRO 39 Cb -0.08 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1qbs s PRO 39 CO 0.01 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1qbs n GLY 40 N -2.28 0.49 0.00 0.56 0.00 -1.26 -5.01 105.19 97.70 1qbs n GLY 40 Ca 0.04 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1qbs n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbs n ARG 41 N 0.67 2.30 -3.52 1.61 3.00 -1.26 -5.12 116.66 114.34 1qbs n ARG 41 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.76 1qbs n ARG 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 1qbs n ARG 41 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1qbs s TRP 42 N 0.03 -0.30 0.04 -1.55 1.48 -1.26 -4.80 118.94 112.58 1qbs s TRP 42 Ca 0.00 0.19 0.07 0.00 -1.06 0.00 0.00 56.10 55.30 1qbs s TRP 42 Cb 0.00 0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 32.81 1qbs s TRP 42 CO 0.00 -0.47 -0.19 0.15 -4.06 0.00 0.00 176.95 172.38 1qbs s LYS 43 N -2.93 2.03 0.05 3.25 -0.14 -0.25 -4.91 119.74 116.85 1qbs s LYS 43 Ca 0.06 -1.00 -0.17 0.00 -1.36 0.00 0.00 55.97 53.49 1qbs s LYS 43 Cb -0.01 -2.16 -0.06 0.00 -1.68 0.00 0.00 37.83 33.92 1qbs s LYS 43 CO -0.08 0.54 0.51 -1.25 -0.76 0.00 0.00 175.35 174.31 1qbs s PRO 44 N -1.40 4.09 0.23 -1.68 0.04 -1.26 0.60 135.00 135.63 1qbs s PRO 44 Ca 0.14 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.81 1qbs s PRO 44 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1qbs s PRO 44 CO 0.05 0.65 0.17 0.15 0.04 0.00 0.00 177.00 178.05 1qbs s LYS 45 N -1.15 1.35 -0.03 4.56 -0.14 -0.26 -4.90 119.74 119.17 1qbs s LYS 45 Ca 0.28 -1.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.17 1qbs s LYS 45 Cb -0.18 0.28 0.01 0.00 -1.68 0.00 0.00 37.83 36.26 1qbs s LYS 45 CO 0.17 -0.46 -0.06 1.41 -0.76 0.00 0.00 175.35 175.65 1qbs s MET 46 N -3.97 0.79 0.18 1.68 -2.45 -1.26 -1.23 119.30 113.04 1qbs s MET 46 Ca 0.39 -0.19 0.11 0.00 -1.25 0.00 0.00 55.69 54.76 1qbs s MET 46 Cb 0.06 -0.77 -0.04 0.00 1.25 0.00 0.00 34.83 35.33 1qbs s MET 46 CO 0.16 0.02 -0.24 0.96 1.05 0.00 0.00 175.02 176.97 1qbs s ILE 47 N 0.46 2.32 0.05 10.11 -4.36 -0.02 -4.94 121.20 124.81 1qbs s ILE 47 Ca -0.06 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.42 1qbs s ILE 47 Cb -0.10 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.48 1qbs s ILE 47 CO 0.00 -0.10 -0.23 -0.83 0.24 0.00 0.00 174.94 174.02 1qbs s GLY 48 N -2.59 1.48 0.00 6.27 0.00 -1.26 0.01 107.32 111.23 1qbs s GLY 48 Ca 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1qbs s GLY 48 CO 0.09 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1qbs n GLY 49 N 1.67 5.40 3.77 0.20 0.00 0.64 -4.96 105.19 111.90 1qbs n GLY 49 Ca -0.17 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1qbs n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qbs s ILE 50 N 1.26 3.35 0.00 -0.61 1.01 -1.26 -3.07 121.20 121.87 1qbs s ILE 50 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1qbs s ILE 50 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1qbs s ILE 50 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1qbs n GLY 51 N 0.73 2.28 0.00 6.18 0.00 -1.26 -4.87 105.19 108.25 1qbs n GLY 51 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1qbs n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbs n GLY 52 N 0.00 0.55 3.87 -0.02 0.00 -1.18 -5.11 105.19 103.29 1qbs n GLY 52 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 1qbs n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qbs s PHE 53 N -3.75 3.33 0.12 1.61 -0.12 -1.26 -0.26 117.98 117.64 1qbs s PHE 53 Ca 0.00 0.07 0.05 0.00 -0.05 0.00 0.00 56.93 57.00 1qbs s PHE 53 Cb 0.00 -1.61 -0.04 0.00 -0.63 0.00 0.00 43.02 40.74 1qbs s PHE 53 CO 0.00 0.53 -0.12 0.96 -0.05 0.00 0.00 175.22 176.53 1qbs s ILE 54 N -1.69 1.18 -0.22 -4.49 -4.36 0.10 -4.96 121.20 106.77 1qbs s ILE 54 Ca 0.33 -1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 58.86 1qbs s ILE 54 Cb -0.11 -1.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 1qbs s ILE 54 CO 0.26 -0.52 0.15 -0.75 0.24 0.00 0.00 174.94 174.31 1qbs s LYS 55 N -2.90 4.14 0.25 0.37 2.20 -1.26 -0.84 119.74 121.71 1qbs s LYS 55 Ca 0.09 -0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1qbs s LYS 55 Cb -0.03 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1qbs s LYS 55 CO 0.02 0.20 0.04 0.14 -0.36 0.00 0.00 175.35 175.39 1qbs s VAL 56 N 0.65 0.88 -0.16 4.02 -7.23 -0.36 -4.45 120.40 113.75 1qbs s VAL 56 Ca 0.08 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1qbs s VAL 56 Cb -0.12 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1qbs s VAL 56 CO 0.01 -0.16 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.43 1qbs s ARG 57 N -3.93 3.49 0.04 4.82 0.52 -0.45 -1.10 118.95 122.34 1qbs s ARG 57 Ca 0.33 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 1qbs s ARG 57 Cb 0.07 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1qbs s ARG 57 CO 0.11 0.13 0.99 -1.14 0.02 0.00 0.00 175.30 175.41 1qbs s GLN 58 N 0.62 4.59 0.02 3.54 0.74 0.20 -0.97 119.66 128.40 1qbs s GLN 58 Ca -0.05 1.46 0.06 0.00 0.05 0.00 0.00 55.36 56.89 1qbs s GLN 58 Cb -0.15 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 1qbs s GLN 58 CO 0.03 0.01 -0.18 0.71 -0.55 0.00 0.00 175.29 175.31 1qbs s TYR 59 N 0.69 2.57 0.30 1.67 1.51 0.49 -1.09 117.35 123.49 1qbs s TYR 59 Ca 0.51 -0.25 0.11 0.00 -1.01 0.00 0.00 57.07 56.42 1qbs s TYR 59 Cb -0.22 -1.50 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 1qbs s TYR 59 CO 0.29 0.22 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.34 1qbs s ASP 60 N -1.24 3.95 -1.51 2.29 1.11 -1.26 0.49 116.67 120.50 1qbs s ASP 60 Ca 0.14 -0.95 -0.05 0.00 0.18 0.00 0.00 52.55 51.86 1qbs s ASP 60 Cb -0.10 -0.48 0.04 0.00 1.07 0.00 0.00 42.92 43.45 1qbs s ASP 60 CO 0.04 -0.06 0.44 0.00 1.18 0.00 0.00 175.17 176.77 1qbs n GLN 61 N -0.77 -2.85 -3.51 8.23 1.13 -1.16 -4.89 117.38 113.56 1qbs n GLN 61 Ca -0.05 0.34 -0.37 0.00 -1.94 0.00 0.00 57.00 54.98 1qbs n GLN 61 Cb 0.61 -4.52 -0.06 0.00 0.11 0.00 0.00 30.24 26.38 1qbs n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qbs s ILE 62 N -3.86 5.19 -0.07 5.09 -1.09 -0.54 -4.81 121.20 121.10 1qbs s ILE 62 Ca 0.19 0.71 -0.20 0.00 -2.23 0.00 0.00 60.65 59.13 1qbs s ILE 62 Cb -0.11 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1qbs s ILE 62 CO 0.92 0.48 0.55 -0.22 -1.23 0.00 0.00 174.94 175.44 1qbs s LEU 63 N -0.30 4.33 0.02 2.97 2.96 -1.26 -1.53 118.68 125.87 1qbs s LEU 63 Ca 0.21 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1qbs s LEU 63 Cb -0.15 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 1qbs s LEU 63 CO 0.09 0.01 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.37 1qbs s ILE 64 N 0.40 1.02 -0.13 6.68 1.09 0.42 -4.38 121.20 126.30 1qbs s ILE 64 Ca 0.30 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 59.08 1qbs s ILE 64 Cb -0.17 -0.90 0.01 0.00 -1.06 0.00 0.00 42.46 40.34 1qbs s ILE 64 CO 0.14 0.10 -0.21 -0.70 -0.10 0.00 0.00 174.94 174.17 1qbs s GLU 65 N -0.79 2.91 -0.03 2.79 2.12 -0.30 -0.22 118.70 125.16 1qbs s GLU 65 Ca 0.02 -0.81 0.09 0.00 0.36 0.00 0.00 54.97 54.63 1qbs s GLU 65 Cb -0.07 -2.35 0.17 0.00 0.26 0.00 0.00 34.13 32.14 1qbs s GLU 65 CO 0.00 -0.01 1.07 -0.89 -0.54 0.00 0.00 175.26 174.90 1qbs n ILE 66 N 4.05 0.45 0.00 -3.70 5.41 -1.26 -0.07 119.36 124.24 1qbs n ILE 66 Ca -0.20 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.76 1qbs n ILE 66 Cb 0.52 0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.88 1qbs n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qbs n GLY 68 N -0.20 0.00 3.28 7.39 0.00 -1.26 -4.75 105.19 109.65 1qbs n GLY 68 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1qbs n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qbs s HIS 69 N -0.09 2.66 0.01 1.61 4.02 -1.26 -5.09 115.29 117.16 1qbs s HIS 69 Ca 0.00 -0.88 -0.01 0.00 1.02 0.00 0.00 55.06 55.19 1qbs s HIS 69 Cb 0.00 -1.76 -0.04 0.00 -1.02 0.00 0.00 32.58 29.76 1qbs s HIS 69 CO 0.00 -0.33 0.15 0.15 1.02 0.00 0.00 174.74 175.74 1qbs s LYS 70 N 0.33 3.30 0.08 1.40 1.02 -1.26 -4.21 119.74 120.41 1qbs s LYS 70 Ca -0.15 -0.41 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 1qbs s LYS 70 Cb -0.17 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1qbs s LYS 70 CO 0.08 0.65 0.31 0.00 -0.92 0.00 0.00 175.35 175.46 1qbs s ALA 71 N -1.33 -0.64 -0.05 5.17 0.00 0.69 -4.95 121.76 120.65 1qbs s ALA 71 Ca 0.28 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1qbs s ALA 71 Cb -0.12 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1qbs s ALA 71 CO 0.19 -0.52 -0.16 0.42 0.00 0.00 0.00 175.76 175.70 1qbs s ILE 72 N -3.33 1.33 0.06 0.00 1.01 -1.26 -0.44 121.20 118.57 1qbs s ILE 72 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 1qbs s ILE 72 Cb 0.02 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.36 1qbs s ILE 72 CO -0.08 0.39 0.49 0.61 0.00 0.00 0.00 174.94 176.34 1qbs n GLY 73 N 3.32 0.84 3.78 6.18 0.00 -0.58 -4.87 105.19 113.86 1qbs n GLY 73 Ca -0.19 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1qbs n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qbs s THR 74 N -2.28 4.07 -0.03 2.61 -4.23 -1.26 -1.47 115.64 113.06 1qbs s THR 74 Ca 0.11 1.70 0.02 0.00 -1.18 0.00 0.00 61.69 62.33 1qbs s THR 74 Cb -0.01 -3.93 0.01 0.00 1.34 0.00 0.00 72.50 69.91 1qbs s THR 74 CO 0.02 0.12 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.47 1qbs s VAL 75 N -1.61 0.53 -0.13 2.29 1.01 0.18 -4.48 120.40 118.19 1qbs s VAL 75 Ca 0.52 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1qbs s VAL 75 Cb -0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1qbs s VAL 75 CO 0.25 0.19 0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1qbs s LEU 76 N 0.45 3.70 -0.06 3.92 1.43 0.50 -0.38 118.68 128.24 1qbs s LEU 76 Ca -0.06 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1qbs s LEU 76 Cb -0.10 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1qbs s LEU 76 CO 0.00 0.28 -0.20 -0.69 0.23 0.00 0.00 176.35 175.97 1qbs s VAL 77 N -0.29 1.67 0.00 -1.59 1.01 -0.14 -0.02 120.40 121.04 1qbs s VAL 77 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1qbs s VAL 77 Cb -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1qbs s VAL 77 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1qbs n GLY 78 N 3.19 -0.36 2.52 4.51 0.00 0.72 -1.34 105.19 114.44 1qbs n GLY 78 Ca -0.18 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 1qbs n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qbs n PRO 79 N -0.25 1.89 -3.21 1.61 -0.04 -1.26 -3.40 135.00 130.34 1qbs n PRO 79 Ca 0.00 -1.26 -0.34 0.00 -0.04 0.00 0.00 63.50 61.86 1qbs n PRO 79 Cb 0.00 -2.30 -0.06 0.00 -0.04 0.00 0.00 33.50 31.10 1qbs n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1qbs s THR 80 N 3.06 4.72 -0.66 0.52 -1.32 -1.26 -4.97 115.64 115.73 1qbs s THR 80 Ca 0.39 0.93 0.25 0.00 -1.21 0.00 0.00 61.69 62.05 1qbs s THR 80 Cb 0.12 -3.69 0.28 0.00 -1.51 0.00 0.00 72.50 67.70 1qbs s THR 80 CO -0.03 -0.02 1.76 -0.81 -2.21 0.00 0.00 174.62 173.32 1qbs n PRO 81 N 0.09 0.24 -4.01 7.08 -0.04 -1.26 -4.61 135.00 132.49 1qbs n PRO 81 Ca 0.00 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1qbs n PRO 81 Cb 0.52 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 1qbs n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qbs s VAL 82 N -3.17 0.24 0.04 0.52 -7.23 -1.26 -5.07 120.40 104.48 1qbs s VAL 82 Ca 0.09 -0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 1qbs s VAL 82 Cb 0.11 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.75 1qbs s VAL 82 CO 0.53 -0.11 0.94 0.20 -0.31 0.00 0.00 175.10 176.35 1qbs s ASN 83 N -0.55 7.38 -0.11 4.85 0.01 -1.26 -4.63 114.94 120.62 1qbs s ASN 83 Ca -0.04 1.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.80 1qbs s ASN 83 Cb -0.04 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1qbs s ASN 83 CO -0.00 -0.16 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.58 1qbs s ILE 84 N 0.57 1.92 -0.34 0.60 1.01 0.44 -0.79 121.20 124.62 1qbs s ILE 84 Ca 0.48 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1qbs s ILE 84 Cb -0.22 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1qbs s ILE 84 CO 0.28 0.53 0.21 -0.63 0.00 0.00 0.00 174.94 175.32 1qbs s ILE 85 N 0.56 4.97 0.00 2.92 -1.09 0.24 -1.43 121.20 127.38 1qbs s ILE 85 Ca -0.14 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1qbs s ILE 85 Cb -0.17 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1qbs s ILE 85 CO 0.05 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1qbs n GLY 86 N 5.05 2.89 0.20 6.18 0.00 -1.20 -0.93 105.19 117.38 1qbs n GLY 86 Ca -0.13 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.81 1qbs n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qbs h ARG 87 N 0.00 0.00 -0.66 1.61 3.08 -0.04 -1.37 114.38 117.00 1qbs h ARG 87 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1qbs h ARG 87 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1qbs h ARG 87 CO 0.00 0.32 0.45 -2.95 -1.07 0.00 0.00 179.97 176.72 1qbs h ASN 88 N 0.00 0.27 0.25 7.04 -1.07 -1.51 -0.98 115.58 119.59 1qbs h ASN 88 Ca -0.00 0.01 -0.13 0.00 0.07 0.00 0.00 56.30 56.25 1qbs h ASN 88 Cb 0.61 -0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 36.79 1qbs h ASN 88 CO 0.04 0.15 -1.87 0.18 0.07 0.00 0.00 177.43 176.00 1qbs n LEU 89 N -4.45 0.27 -0.03 6.14 4.77 -0.88 -4.25 117.00 118.57 1qbs n LEU 89 Ca 0.12 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 1qbs n LEU 89 Cb 0.52 0.14 0.28 0.00 -2.33 0.00 0.00 43.42 42.03 1qbs n LEU 89 CO 0.34 0.14 0.96 -0.07 -1.33 0.00 0.00 177.39 177.43 1qbs h LEU 90 N 0.00 0.56 -1.42 2.23 4.07 -0.69 -0.14 115.31 119.92 1qbs h LEU 90 Ca -0.18 -0.10 0.13 0.00 0.08 0.00 0.00 57.88 57.81 1qbs h LEU 90 Cb 1.44 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.98 1qbs h LEU 90 CO 0.02 0.59 0.52 0.74 -1.08 0.00 0.00 178.44 179.24 1qbs h THR 91 N 0.58 0.86 0.00 0.22 2.02 -1.39 -1.22 112.91 113.99 1qbs h THR 91 Ca 0.13 -0.21 -0.22 0.00 0.77 0.00 0.00 66.41 66.88 1qbs h THR 91 Cb 0.29 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1qbs h THR 91 CO 0.00 0.11 -1.05 1.56 0.37 0.00 0.00 175.52 176.51 1qbs h GLN 92 N 0.60 0.01 -0.21 6.66 4.20 -1.21 -3.08 115.11 122.09 1qbs h GLN 92 Ca 0.39 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1qbs h GLN 92 Cb 0.65 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1qbs h GLN 92 CO -0.15 0.98 0.00 0.44 -0.67 0.00 0.00 178.83 179.43 1qbs n ILE 93 N -3.34 0.27 -1.96 2.54 -5.35 -1.03 -4.92 119.36 105.57 1qbs n ILE 93 Ca -0.01 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.03 1qbs n ILE 93 Cb 0.95 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 39.11 1qbs n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qbs n GLY 94 N 1.07 0.25 3.76 3.28 0.00 -1.05 -4.99 105.19 107.51 1qbs n GLY 94 Ca 0.14 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1qbs n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbs s ALA 95 N -2.41 3.48 0.16 4.61 0.00 -0.49 -5.03 121.76 122.09 1qbs s ALA 95 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.18 1qbs s ALA 95 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1qbs s ALA 95 CO 0.00 -0.48 -0.20 0.95 0.00 0.00 0.00 175.76 176.03 1qbs s THR 96 N -0.93 1.97 -0.13 0.00 -4.23 -1.26 -4.76 115.64 106.30 1qbs s THR 96 Ca 0.49 -1.90 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1qbs s THR 96 Cb -0.37 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1qbs s THR 96 CO 0.47 -0.21 0.04 -0.76 -0.54 0.00 0.00 174.62 173.61 1qbs s LEU 97 N -2.55 3.73 -0.03 4.79 1.43 -1.26 -5.08 118.68 119.71 1qbs s LEU 97 Ca 0.16 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1qbs s LEU 97 Cb -0.07 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1qbs s LEU 97 CO 0.07 0.29 -0.09 0.20 0.23 0.00 0.00 176.35 177.05 1qbs s ASN 98 N -0.33 1.20 0.00 2.29 0.01 -1.26 -5.30 114.94 111.55 1qbs s ASN 98 Ca 0.08 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1qbs s ASN 98 Cb -0.12 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.22 1qbs s ASN 98 CO 0.02 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.89