#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2w s GLN 8 N 0.00 4.22 -0.29 -1.58 2.00 -1.26 -5.05 119.66 117.70 2w2w s GLN 8 Ca 0.00 -0.09 -0.25 0.00 -2.00 0.00 0.00 55.36 53.02 2w2w s GLN 8 Cb 0.00 -3.43 0.17 0.00 0.80 0.00 0.00 33.01 30.55 2w2w s GLN 8 CO 0.00 0.27 1.32 -1.14 -0.50 0.00 0.00 175.29 175.23 2w2w s GLN 9 N 0.43 0.20 0.00 1.67 -0.44 -1.26 -1.75 119.66 118.50 2w2w s GLN 9 Ca 0.12 0.21 0.00 0.00 -2.50 0.00 0.00 55.36 53.19 2w2w s GLN 9 Cb -0.12 0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.35 2w2w s GLN 9 CO 0.01 -0.03 0.00 0.41 0.50 0.00 0.00 175.29 176.18 2w2w n GLY 10 N 1.66 -1.24 3.80 2.59 0.00 -0.91 -5.02 105.19 106.07 2w2w n GLY 10 Ca -0.10 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 2w2w n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2w2w s GLU 11 N -0.06 4.43 0.06 1.61 -1.05 -1.26 -1.19 118.70 121.24 2w2w s GLU 11 Ca 0.00 1.20 -0.00 0.00 -0.15 0.00 0.00 54.97 56.02 2w2w s GLU 11 Cb 0.00 -2.62 -0.04 0.00 -0.44 0.00 0.00 34.13 31.03 2w2w s GLU 11 CO 0.00 0.20 -0.04 -0.51 0.95 0.00 0.00 175.26 175.86 2w2w s LEU 12 N -2.39 2.49 0.06 1.83 1.43 0.52 -4.90 118.68 117.71 2w2w s LEU 12 Ca 0.53 -0.99 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2w2w s LEU 12 Cb -0.15 0.12 -0.06 0.00 0.03 0.00 0.00 46.19 46.13 2w2w s LEU 12 CO 0.20 -0.56 0.48 -0.31 0.23 0.00 0.00 176.35 176.39 2w2w s TYR 13 N -3.78 3.69 0.03 0.29 1.51 0.68 -0.55 117.35 119.23 2w2w s TYR 13 Ca 0.08 1.04 0.06 0.00 -1.01 0.00 0.00 57.07 57.24 2w2w s TYR 13 Cb 0.07 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 2w2w s TYR 13 CO -0.08 0.56 -0.18 -1.64 -1.11 0.00 0.00 175.55 173.09 2w2w s MET 14 N -1.43 1.31 -0.35 -0.62 -1.94 -0.04 -1.40 119.30 114.83 2w2w s MET 14 Ca 0.30 -0.81 -0.19 0.00 -1.71 0.00 0.00 55.69 53.28 2w2w s MET 14 Cb -0.16 -1.36 -0.00 0.00 2.01 0.00 0.00 34.83 35.31 2w2w s MET 14 CO 0.17 0.35 0.54 -0.46 -0.01 0.00 0.00 175.02 175.61 2w2w s TRP 15 N -0.69 3.18 -0.49 -0.03 -0.00 -0.73 -1.55 118.94 118.63 2w2w s TRP 15 Ca 0.06 0.25 -0.20 0.00 -0.00 0.00 0.00 56.10 56.20 2w2w s TRP 15 Cb -0.08 -2.97 0.04 0.00 -0.00 0.00 0.00 33.47 30.47 2w2w s TRP 15 CO 0.01 -0.55 0.67 0.34 -0.00 0.00 0.00 176.95 177.42 2w2w s ASP 16 N 1.76 6.27 0.00 5.86 2.15 -0.98 -4.74 116.67 126.99 2w2w s ASP 16 Ca 0.20 -0.63 0.15 0.00 0.43 0.00 0.00 52.55 52.70 2w2w s ASP 16 Cb -0.15 -2.32 0.87 0.00 -0.30 0.00 0.00 42.92 41.02 2w2w s ASP 16 CO 0.13 -0.89 1.30 -1.54 -0.17 0.00 0.00 175.17 174.00 2w2w n SER 17 N 6.37 0.00 0.00 -0.34 3.41 -1.26 -1.78 113.62 120.02 2w2w n SER 17 Ca -0.04 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 2w2w n SER 17 Cb 0.47 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2w2w n SER 17 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2w2w n ILE 18 N -1.02 0.00 0.76 -1.33 -0.00 -1.26 -4.41 119.36 112.10 2w2w n ILE 18 Ca 0.11 0.46 0.07 0.00 -0.00 0.00 0.00 62.75 63.38 2w2w n ILE 18 Cb 0.05 -1.43 0.37 0.00 -0.00 0.00 0.00 39.64 38.63 2w2w n ILE 18 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2w2w n ASP 19 N -2.23 0.00 -4.00 4.38 10.43 -1.23 -4.85 116.55 119.05 2w2w n ASP 19 Ca 0.00 -0.26 -0.27 0.00 2.57 0.00 0.00 54.79 56.83 2w2w n ASP 19 Cb 0.00 -0.09 -0.02 0.00 1.84 0.00 0.00 41.12 42.85 2w2w n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n GLN 20 N -1.09 -3.31 -3.97 -1.24 1.13 -0.74 -4.97 117.38 103.20 2w2w n GLN 20 Ca 0.09 0.40 -0.08 0.00 -1.94 0.00 0.00 57.00 55.47 2w2w n GLN 20 Cb 0.06 -4.62 -0.09 0.00 0.11 0.00 0.00 30.24 25.70 2w2w n GLN 20 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2w2w s LYS 21 N -6.62 0.69 0.10 -1.09 -0.14 -1.22 -5.03 119.74 106.43 2w2w s LYS 21 Ca 0.13 -1.03 -0.17 0.00 -1.36 0.00 0.00 55.97 53.54 2w2w s LYS 21 Cb -0.07 0.26 -0.07 0.00 -1.68 0.00 0.00 37.83 36.28 2w2w s LYS 21 CO 0.89 -0.17 0.55 -1.58 -0.76 0.00 0.00 175.35 174.28 2w2w s TRP 22 N -3.63 3.71 0.07 3.18 0.52 -1.26 -2.32 118.94 119.21 2w2w s TRP 22 Ca 0.04 1.16 0.05 0.00 0.02 0.00 0.00 56.10 57.37 2w2w s TRP 22 Cb 0.05 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2w2w s TRP 22 CO -0.09 0.52 -0.15 0.95 0.02 0.00 0.00 176.95 178.20 2w2w s THR 23 N -1.26 1.16 -0.25 2.01 -4.23 -0.59 -4.93 115.64 107.55 2w2w s THR 23 Ca 0.32 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.36 2w2w s THR 23 Cb -0.17 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 2w2w s THR 23 CO 0.18 -0.17 0.60 -0.13 -0.54 0.00 0.00 174.62 174.57 2w2w s ARG 24 N -1.65 4.12 0.03 3.99 0.52 -1.26 -0.86 118.95 123.84 2w2w s ARG 24 Ca -0.01 0.50 0.06 0.00 -0.52 0.00 0.00 55.73 55.76 2w2w s ARG 24 Cb -0.10 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2w2w s ARG 24 CO 0.02 -0.37 -0.17 -1.01 0.02 0.00 0.00 175.30 173.79 2w2w s HIS 25 N 2.36 1.51 -0.16 -0.53 3.76 0.29 -1.23 115.29 121.29 2w2w s HIS 25 Ca 0.25 -0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 54.58 2w2w s HIS 25 Cb -0.16 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 2w2w s HIS 25 CO 0.09 0.05 0.77 0.12 -0.85 0.00 0.00 174.74 174.91 2w2w s PHE 26 N -0.73 3.43 0.22 1.40 5.36 -1.26 -0.36 117.98 126.05 2w2w s PHE 26 Ca 0.05 1.18 0.09 0.00 -0.96 0.00 0.00 56.93 57.29 2w2w s PHE 26 Cb -0.08 -2.94 -0.05 0.00 -0.34 0.00 0.00 43.02 39.62 2w2w s PHE 26 CO 0.01 -0.18 -0.16 0.00 -1.46 0.00 0.00 175.22 173.43 2w2w s ALA 28 N -2.81 -1.00 -0.19 0.00 0.00 -0.72 -2.14 121.76 114.90 2w2w s ALA 28 Ca 0.24 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2w2w s ALA 28 Cb -0.02 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.44 2w2w s ALA 28 CO 0.09 -0.43 -0.13 0.42 0.00 0.00 0.00 175.76 175.71 2w2w s ILE 29 N -2.31 1.80 -0.01 0.00 1.01 -0.72 -0.86 121.20 120.13 2w2w s ILE 29 Ca -0.06 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.61 2w2w s ILE 29 Cb -0.01 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 2w2w s ILE 29 CO -0.01 0.28 -0.14 0.00 0.00 0.00 0.00 174.94 175.07 2w2w s ALA 30 N 1.34 1.13 0.00 9.38 0.00 -0.76 -4.34 121.76 128.52 2w2w s ALA 30 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2w2w s ALA 30 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2w2w s ALA 30 CO -0.09 0.27 0.00 -0.25 0.00 0.00 0.00 175.76 175.69 2w2w n ASP 31 N 2.66 0.00 -1.10 0.00 10.43 -1.26 -0.55 116.55 126.72 2w2w n ASP 31 Ca -0.14 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.17 2w2w n ASP 31 Cb 0.55 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.68 2w2w n ASP 31 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n ALA 32 N 11.81 4.22 -2.81 2.24 0.00 -1.26 -5.02 120.51 129.69 2w2w n ALA 32 Ca 0.00 -3.36 -0.27 0.00 0.00 0.00 0.00 53.44 49.80 2w2w n ALA 32 Cb 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 2w2w n ALA 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2w2w s LYS 33 N -3.33 1.89 -0.21 0.00 0.00 0.28 -0.80 119.74 117.57 2w2w s LYS 33 Ca 0.43 -0.68 -0.04 0.00 0.00 0.00 0.00 55.97 55.69 2w2w s LYS 33 Cb 0.39 -1.66 -0.01 0.00 0.00 0.00 0.00 37.83 36.55 2w2w s LYS 33 CO -0.03 0.29 -0.04 -1.17 0.00 0.00 0.00 175.35 174.40 2w2w s LEU 34 N -0.07 2.92 0.01 2.77 0.20 -0.13 -1.82 118.68 122.57 2w2w s LEU 34 Ca -0.02 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.47 2w2w s LEU 34 Cb -0.11 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 2w2w s LEU 34 CO 0.02 0.01 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.09 2w2w s SER 35 N 1.33 4.69 -0.01 3.68 1.04 -0.03 -0.22 113.70 124.17 2w2w s SER 35 Ca 0.04 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2w2w s SER 35 Cb -0.14 -1.10 0.01 0.00 0.10 0.00 0.00 66.02 64.89 2w2w s SER 35 CO -0.02 0.27 -0.01 0.72 0.98 0.00 0.00 173.24 175.18 2w2w s PHE 36 N -1.04 0.25 0.68 5.02 -0.12 -0.76 -1.75 117.98 120.26 2w2w s PHE 36 Ca 0.18 -0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 56.99 2w2w s PHE 36 Cb -0.11 -0.26 0.14 0.00 -0.63 0.00 0.00 43.02 42.16 2w2w s PHE 36 CO 0.09 -0.06 0.93 -1.13 -0.05 0.00 0.00 175.22 175.00 2w2w n SER 37 N 3.55 0.71 -4.83 1.98 3.41 -0.81 -2.07 113.62 115.57 2w2w n SER 37 Ca -0.20 -1.73 -0.29 0.00 -0.26 0.00 0.00 58.87 56.39 2w2w n SER 37 Cb 0.55 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 63.95 2w2w n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2w2w s ASP 38 N -4.61 4.26 -0.48 4.04 1.01 -0.92 -4.62 116.67 115.35 2w2w s ASP 38 Ca 0.58 1.06 -0.35 0.00 0.71 0.00 0.00 52.55 54.55 2w2w s ASP 38 Cb -0.03 -1.71 -0.14 0.00 1.01 0.00 0.00 42.92 42.06 2w2w s ASP 38 CO 0.39 -2.09 2.28 -0.67 0.21 0.00 0.00 175.17 175.29 2w2w n ASP 39 N -3.48 1.66 0.00 0.27 -0.08 -1.26 -4.65 116.55 109.01 2w2w n ASP 39 Ca 0.07 0.33 0.11 0.00 -1.51 0.00 0.00 54.79 53.78 2w2w n ASP 39 Cb 0.58 -1.19 0.63 0.00 2.34 0.00 0.00 41.12 43.49 2w2w n ASP 39 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2w2w n ILE 40 N 7.21 0.00 -0.02 5.18 -5.35 -0.36 -1.56 119.36 124.46 2w2w n ILE 40 Ca 0.47 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.86 2w2w n ILE 40 Cb 0.19 -0.63 -0.14 0.00 -1.74 0.00 0.00 39.64 37.32 2w2w n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2w2w n GLU 41 N -0.98 0.63 0.00 6.28 1.02 -1.26 -5.09 120.64 121.24 2w2w n GLU 41 Ca 0.16 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2w2w n GLU 41 Cb 0.07 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2w2w n GLU 41 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2w2w n GLN 42 N -3.03 0.00 0.00 3.49 6.02 -0.60 -5.20 117.38 118.07 2w2w n GLN 42 Ca -0.17 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2w2w n GLN 42 Cb 1.05 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.63 2w2w n GLN 42 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2w2w n SER 52 N -0.92 0.00 -1.14 1.08 2.88 -1.26 -5.09 113.62 109.16 2w2w n SER 52 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2w2w n SER 52 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 2w2w n SER 52 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2w2w n LEU 53 N 0.00 3.31 -2.71 2.46 0.00 -1.26 -2.18 117.00 116.63 2w2w n LEU 53 Ca 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 56.01 54.27 2w2w n LEU 53 Cb 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 43.42 43.05 2w2w n LEU 53 CO 0.00 0.57 0.47 0.00 0.00 0.00 0.00 177.39 178.43 2w2w n ARG 55 N -0.01 0.02 -3.56 0.00 1.74 -0.88 -4.76 116.66 109.22 2w2w n ARG 55 Ca -0.01 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.31 2w2w n ARG 55 Cb 0.75 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 30.59 2w2w n ARG 55 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2w2w s GLY 56 N -3.07 -0.36 -0.04 -0.13 0.00 -1.11 -5.03 107.32 97.58 2w2w s GLY 56 Ca 0.04 1.79 0.01 0.00 0.00 0.00 0.00 44.72 46.56 2w2w s GLY 56 CO 0.19 0.97 -0.03 -0.42 0.00 0.00 0.00 173.10 173.81 2w2w s ILE 57 N -1.27 0.41 -0.10 0.90 1.01 -1.26 -1.82 121.20 119.06 2w2w s ILE 57 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2w2w s ILE 57 Cb -0.00 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 2w2w s ILE 57 CO 0.03 0.19 -0.07 -0.76 0.00 0.00 0.00 174.94 174.33 2w2w s LEU 58 N 0.92 3.12 -0.58 2.97 1.43 0.70 -4.95 118.68 122.29 2w2w s LEU 58 Ca -0.11 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 2w2w s LEU 58 Cb -0.14 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.44 2w2w s LEU 58 CO -0.00 0.28 0.83 -0.62 0.23 0.00 0.00 176.35 177.06 2w2w s ASP 59 N -0.30 6.23 0.58 2.29 -1.08 -1.26 -0.95 116.67 122.18 2w2w s ASP 59 Ca 0.04 -0.89 0.27 0.00 -0.52 0.00 0.00 52.55 51.45 2w2w s ASP 59 Cb -0.13 -2.37 1.69 0.00 -1.46 0.00 0.00 42.92 40.65 2w2w s ASP 59 CO 0.02 -1.19 2.21 -0.07 0.52 0.00 0.00 175.17 176.66 2w2w h LEU 60 N 10.60 0.00 -2.11 -1.34 3.38 -1.33 0.21 115.31 124.72 2w2w h LEU 60 Ca -0.28 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.75 2w2w h LEU 60 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2w2w h LEU 60 CO 1.09 0.00 0.16 0.78 0.09 0.00 0.00 178.44 180.55 2w2w h ASN 61 N 0.00 0.00 0.43 -0.43 2.35 -1.90 -1.14 115.58 114.89 2w2w h ASN 61 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2w2w h ASN 61 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2w2w h ASN 61 CO -0.00 0.00 -0.66 0.35 -1.65 0.00 0.00 177.43 175.47 2w2w n THR 62 N -4.22 0.05 -3.88 2.81 -2.24 0.06 -4.95 114.28 101.91 2w2w n THR 62 Ca 0.02 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 2w2w n THR 62 Cb 0.29 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 2w2w n THR 62 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2w2w s TYR 63 N -3.04 2.68 0.10 4.78 1.51 -0.43 -0.49 117.35 122.45 2w2w s TYR 63 Ca 0.09 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 2w2w s TYR 63 Cb 0.17 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 2w2w s TYR 63 CO 0.74 0.08 -0.10 -0.80 -1.11 0.00 0.00 175.55 174.36 2w2w s ASN 64 N -3.99 1.48 -0.22 2.29 0.02 0.44 -4.89 114.94 110.07 2w2w s ASN 64 Ca 0.43 -0.80 -0.04 0.00 -1.02 0.00 0.00 52.86 51.44 2w2w s ASN 64 Cb -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 41.25 41.26 2w2w s ASN 64 CO 0.25 -0.25 -0.03 0.68 0.02 0.00 0.00 177.10 177.77 2w2w s VAL 65 N -2.34 3.47 0.11 1.60 -7.23 -1.26 -0.88 120.40 113.87 2w2w s VAL 65 Ca 0.05 -0.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.83 2w2w s VAL 65 Cb -0.03 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2w2w s VAL 65 CO 0.00 0.41 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.42 2w2w s VAL 66 N 1.49 3.37 0.09 1.32 1.01 -0.57 -4.97 120.40 122.13 2w2w s VAL 66 Ca 0.06 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.76 2w2w s VAL 66 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2w2w s VAL 66 CO -0.03 0.09 0.12 -0.75 0.00 0.00 0.00 175.10 174.54 2w2w s LYS 67 N -2.27 3.04 -0.47 2.72 2.20 -1.26 -0.77 119.74 122.93 2w2w s LYS 67 Ca 0.22 -0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 55.13 2w2w s LYS 67 Cb -0.11 -2.80 0.12 0.00 -1.51 0.00 0.00 37.83 33.53 2w2w s LYS 67 CO 0.14 0.57 0.31 0.00 -0.36 0.00 0.00 175.35 176.01 2w2w s ALA 68 N -1.46 3.33 0.11 3.13 0.00 -1.03 -4.95 121.76 120.89 2w2w s ALA 68 Ca 0.31 -2.65 -0.33 0.00 0.00 0.00 0.00 51.96 49.29 2w2w s ALA 68 Cb -0.12 -2.65 -0.12 0.00 0.00 0.00 0.00 23.12 20.23 2w2w s ALA 68 CO 0.24 -1.90 1.56 -1.35 0.00 0.00 0.00 175.76 174.31 2w2w h PRO 69 N 8.09 -0.63 0.00 0.00 0.11 -1.95 0.36 132.00 137.97 2w2w h PRO 69 Ca -0.14 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2w2w h PRO 69 Cb 1.05 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2w2w h PRO 69 CO 0.77 -0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 2w2w n GLN 70 N -5.46 0.02 0.00 1.05 0.00 -1.26 -4.97 117.38 106.76 2w2w n GLN 70 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 57.00 57.30 2w2w n GLN 70 Cb 0.39 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2w2w n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w2w n GLY 71 N -0.54 -1.75 3.60 2.61 0.00 0.11 -4.96 105.19 104.26 2w2w n GLY 71 Ca 0.02 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2w2w n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w2w s LYS 72 N 0.00 0.73 -1.47 1.61 2.20 -1.02 -4.92 119.74 116.87 2w2w s LYS 72 Ca 0.00 0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 2w2w s LYS 72 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 2w2w s LYS 72 CO 0.00 -0.14 0.23 0.09 -0.36 0.00 0.00 175.35 175.16 2w2w n ASN 73 N 1.91 0.22 -0.30 1.43 3.02 -1.26 -1.21 115.26 119.07 2w2w n ASN 73 Ca -0.14 -1.14 -0.04 0.00 -0.03 0.00 0.00 54.58 53.24 2w2w n ASN 73 Cb 0.56 -2.36 -0.02 0.00 -0.61 0.00 0.00 39.78 37.35 2w2w n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w2w n GLN 74 N -4.49 -1.18 -4.60 3.52 10.64 -1.26 -4.99 117.38 115.03 2w2w n GLN 74 Ca -0.32 0.51 -0.33 0.00 -1.83 0.00 0.00 57.00 55.03 2w2w n GLN 74 Cb 0.69 -4.50 -0.13 0.00 -0.86 0.00 0.00 30.24 25.45 2w2w n GLN 74 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2w2w s LYS 75 N -1.82 3.33 0.14 2.61 -0.14 -0.35 -5.05 119.74 118.47 2w2w s LYS 75 Ca 0.00 -0.59 -0.01 0.00 -1.36 0.00 0.00 55.97 54.01 2w2w s LYS 75 Cb 0.00 -2.73 -0.09 0.00 -1.68 0.00 0.00 37.83 33.33 2w2w s LYS 75 CO 0.00 0.34 1.31 0.77 -0.76 0.00 0.00 175.35 177.01 2w2w h SER 76 N 6.33 0.36 -3.63 2.83 0.02 -1.88 -2.70 113.55 114.88 2w2w h SER 76 Ca -0.34 -0.31 -0.63 0.00 -0.84 0.00 0.00 61.79 59.67 2w2w h SER 76 Cb 1.19 -0.11 -0.39 0.00 0.14 0.00 0.00 62.40 63.23 2w2w h SER 76 CO 0.58 1.14 -0.77 -0.36 -1.14 0.00 0.00 176.83 176.28 2w2w s PHE 77 N -3.11 2.80 0.02 3.45 0.08 -1.26 -4.39 117.98 115.58 2w2w s PHE 77 Ca -0.04 -2.17 0.00 0.00 0.12 0.00 0.00 56.93 54.85 2w2w s PHE 77 Cb 0.09 -1.99 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2w2w s PHE 77 CO 0.85 -0.85 -0.04 0.14 -0.10 0.00 0.00 175.22 175.22 2w2w s VAL 78 N 1.25 0.19 0.19 -0.44 -7.23 -1.26 -1.53 120.40 111.56 2w2w s VAL 78 Ca -0.00 -0.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.37 2w2w s VAL 78 Cb -0.19 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 2w2w s VAL 78 CO -0.09 -0.45 -0.21 0.72 -0.31 0.00 0.00 175.10 174.76 2w2w s PHE 79 N -1.37 2.06 -0.07 2.82 -0.71 -0.69 -2.48 117.98 117.54 2w2w s PHE 79 Ca -0.14 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.37 2w2w s PHE 79 Cb -0.10 -1.01 0.01 0.00 -1.21 0.00 0.00 43.02 40.72 2w2w s PHE 79 CO -0.01 0.44 -0.16 0.42 -1.34 0.00 0.00 175.22 174.57 2w2w s ILE 80 N -1.98 1.46 -0.74 -4.49 1.01 0.05 -1.73 121.20 114.78 2w2w s ILE 80 Ca 0.20 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 2w2w s ILE 80 Cb -0.06 -1.29 0.13 0.00 0.01 0.00 0.00 42.46 41.24 2w2w s ILE 80 CO 0.09 0.43 0.88 -0.76 0.00 0.00 0.00 174.94 175.57 2w2w s LEU 81 N 0.51 5.37 -0.16 2.97 1.02 -0.34 -1.51 118.68 126.54 2w2w s LEU 81 Ca -0.15 -1.75 -0.08 0.00 0.02 0.00 0.00 54.13 52.16 2w2w s LEU 81 Cb -0.16 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.67 2w2w s LEU 81 CO 0.05 -1.06 0.13 -1.83 0.02 0.00 0.00 176.35 173.67 2w2w s GLU 82 N 2.48 3.81 0.67 1.70 -1.05 -0.06 -2.17 118.70 124.09 2w2w s GLU 82 Ca 0.20 -0.17 -0.11 0.00 -0.15 0.00 0.00 54.97 54.74 2w2w s GLU 82 Cb -0.15 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.24 2w2w s GLU 82 CO -0.00 0.55 1.05 -2.14 0.95 0.00 0.00 175.26 175.67 2w2w s PRO 83 N -0.35 2.99 -0.03 -4.83 0.02 -1.26 -0.42 135.00 131.12 2w2w s PRO 83 Ca 0.12 0.44 -0.13 0.00 0.02 0.00 0.00 61.00 61.44 2w2w s PRO 83 Cb -0.12 -2.07 -0.07 0.00 0.02 0.00 0.00 34.50 32.26 2w2w s PRO 83 CO 0.01 -0.90 0.59 1.57 -0.33 0.00 0.00 177.00 177.93 2w2w h LYS 84 N -0.52 -0.45 -6.93 5.54 -0.00 -1.13 -3.45 116.57 109.63 2w2w h LYS 84 Ca -0.45 0.03 -0.55 0.00 -0.00 0.00 0.00 60.65 59.69 2w2w h LYS 84 Cb 1.24 0.10 0.19 0.00 -0.00 0.00 0.00 32.23 33.76 2w2w h LYS 84 CO 0.63 -0.30 -0.08 0.00 -0.00 0.00 0.00 179.45 179.71 2w2w n GLN 85 N -4.71 0.18 0.00 0.07 0.00 -1.26 -5.01 117.38 106.64 2w2w n GLN 85 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 57.00 57.06 2w2w n GLN 85 Cb 0.18 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.30 2w2w n GLN 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2w2w n GLN 86 N -2.04 0.82 0.00 2.61 -0.06 -1.26 -4.48 117.38 112.97 2w2w n GLN 86 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2w2w n GLN 86 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 2w2w n GLN 86 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2w2w n GLY 87 N 1.17 0.54 0.00 1.69 0.00 -1.26 -4.81 105.19 102.53 2w2w n GLY 87 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2w2w n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w2w n ASP 88 N 3.56 0.00 -4.84 1.61 -0.08 -1.26 -4.85 116.55 110.68 2w2w n ASP 88 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 2w2w n ASP 88 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 2w2w n ASP 88 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 2w2w s PRO 89 N 0.00 3.25 0.30 -0.67 0.02 -1.26 -4.69 135.00 131.94 2w2w s PRO 89 Ca 0.00 0.87 -0.28 0.00 0.02 0.00 0.00 61.00 61.62 2w2w s PRO 89 Cb 0.00 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 2w2w s PRO 89 CO 0.00 -0.85 0.99 -2.14 -0.33 0.00 0.00 177.00 174.67 2w2w s PRO 90 N -5.06 4.63 -0.23 5.54 0.02 -1.26 -4.65 135.00 133.99 2w2w s PRO 90 Ca 0.57 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 62.99 2w2w s PRO 90 Cb -0.13 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 2w2w s PRO 90 CO 0.54 0.29 0.13 0.08 -0.33 0.00 0.00 177.00 177.71 2w2w s VAL 91 N -1.39 5.12 -0.26 3.83 1.01 -0.92 -4.98 120.40 122.81 2w2w s VAL 91 Ca 0.47 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 2w2w s VAL 91 Cb -0.24 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2w2w s VAL 91 CO 0.30 0.36 0.03 -1.61 0.00 0.00 0.00 175.10 174.18 2w2w s GLU 92 N 1.04 3.26 0.21 2.72 2.02 -1.26 -1.20 118.70 125.49 2w2w s GLU 92 Ca 0.06 -0.72 0.07 0.00 0.02 0.00 0.00 54.97 54.40 2w2w s GLU 92 Cb -0.14 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2w2w s GLU 92 CO 0.04 -0.31 0.09 -0.06 0.02 0.00 0.00 175.26 175.03 2w2w s PHE 93 N 1.50 2.96 -0.00 1.61 0.40 -0.70 -1.77 117.98 121.96 2w2w s PHE 93 Ca 0.04 -0.12 -0.22 0.00 -0.60 0.00 0.00 56.93 56.03 2w2w s PHE 93 Cb -0.16 -1.38 0.05 0.00 0.51 0.00 0.00 43.02 42.04 2w2w s PHE 93 CO 0.00 0.54 0.49 0.00 0.70 0.00 0.00 175.22 176.95 2w2w s ALA 94 N -1.97 -1.25 0.26 5.36 0.00 -0.49 -1.70 121.76 121.96 2w2w s ALA 94 Ca 0.31 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.00 2w2w s ALA 94 Cb -0.08 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2w2w s ALA 94 CO 0.22 -0.38 0.02 0.95 0.00 0.00 0.00 175.76 176.57 2w2w s THR 95 N -1.69 1.06 -0.09 0.00 -4.23 -0.58 -0.23 115.64 109.88 2w2w s THR 95 Ca -0.10 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 58.21 2w2w s THR 95 Cb -0.02 -2.47 -0.14 0.00 1.34 0.00 0.00 72.50 71.21 2w2w s THR 95 CO 0.04 -0.22 0.60 0.44 -0.54 0.00 0.00 174.62 174.94 2w2w h ASP 96 N 2.38 -0.09 -2.77 3.99 3.32 -1.93 -3.39 116.42 117.93 2w2w h ASP 96 Ca -0.39 -0.44 -0.65 0.00 0.02 0.00 0.00 57.03 55.58 2w2w h ASP 96 Cb 1.23 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 2w2w h ASP 96 CO 0.65 0.58 -0.46 -0.54 -1.72 0.00 0.00 179.24 177.75 2w2w s LYS 97 N -2.56 3.48 0.33 3.56 -0.14 -1.26 -4.90 119.74 118.24 2w2w s LYS 97 Ca -0.11 -0.19 0.04 0.00 -1.36 0.00 0.00 55.97 54.35 2w2w s LYS 97 Cb -0.01 -3.13 0.65 0.00 -1.68 0.00 0.00 37.83 33.66 2w2w s LYS 97 CO 0.40 0.71 1.92 -0.24 -0.76 0.00 0.00 175.35 177.39 2w2w h VAL 98 N 3.30 1.02 -0.97 3.17 3.04 -1.98 -2.27 116.25 121.57 2w2w h VAL 98 Ca -0.51 -0.30 0.03 0.00 -1.01 0.00 0.00 66.70 64.90 2w2w h VAL 98 Cb 1.21 0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 30.49 2w2w h VAL 98 CO 0.64 0.16 0.64 1.05 -1.01 0.00 0.00 177.57 179.05 2w2w h GLU 99 N 0.88 1.21 0.27 4.17 9.09 -2.00 -2.62 114.58 125.58 2w2w h GLU 99 Ca 0.37 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 2w2w h GLU 99 Cb 0.29 -0.27 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2w2w h GLU 99 CO -0.14 0.80 -0.13 0.93 0.05 0.00 0.00 179.01 180.52 2w2w h GLU 100 N 1.24 -0.35 -0.97 1.06 5.08 -1.83 -1.46 114.58 117.35 2w2w h GLU 100 Ca 0.38 0.02 0.31 0.00 -1.00 0.00 0.00 59.36 59.07 2w2w h GLU 100 Cb -0.03 0.08 -0.17 0.00 0.50 0.00 0.00 28.75 29.12 2w2w h GLU 100 CO -0.11 -0.19 0.22 1.25 -1.00 0.00 0.00 179.01 179.18 2w2w h LEU 101 N -0.43 -0.15 -0.50 1.33 5.85 -1.34 0.16 115.31 120.23 2w2w h LEU 101 Ca -0.04 0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 2w2w h LEU 101 Cb 0.33 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2w2w h LEU 101 CO 0.06 -0.34 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.03 2w2w h PHE 102 N 0.05 0.76 0.00 1.25 -1.00 -1.02 -1.64 116.94 115.34 2w2w h PHE 102 Ca 0.66 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 61.18 2w2w h PHE 102 Cb 1.50 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.92 2w2w h PHE 102 CO -0.31 1.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.78 2w2w n GLU 103 N -3.97 0.00 -0.13 1.51 1.02 0.51 -1.40 120.64 118.17 2w2w n GLU 103 Ca -0.03 0.68 -0.04 0.00 -0.02 0.00 0.00 57.16 57.75 2w2w n GLU 103 Cb 0.60 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.70 2w2w n GLU 103 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2w2w h TRP 104 N 0.00 -0.15 -0.87 -0.32 4.06 -1.38 0.25 115.95 117.54 2w2w h TRP 104 Ca 0.00 0.04 0.07 0.00 2.06 0.00 0.00 58.89 61.05 2w2w h TRP 104 Cb 0.00 0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 28.23 2w2w h TRP 104 CO -0.38 -0.15 0.54 0.35 -3.56 0.00 0.00 178.44 175.24 2w2w h PHE 105 N 0.04 0.99 0.86 0.49 3.57 -1.29 0.85 116.94 122.46 2w2w h PHE 105 Ca 0.21 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2w2w h PHE 105 Cb 0.32 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2w2w h PHE 105 CO -0.34 0.49 -0.46 1.96 -2.23 0.00 0.00 178.31 177.73 2w2w h GLN 106 N 0.97 -1.17 -0.62 1.11 1.08 0.20 -2.13 115.11 114.55 2w2w h GLN 106 Ca 0.38 0.08 0.12 0.00 -1.45 0.00 0.00 58.65 57.79 2w2w h GLN 106 Cb 0.20 0.27 -0.12 0.00 -0.05 0.00 0.00 27.48 27.77 2w2w h GLN 106 CO -0.18 -0.78 -0.17 0.77 -0.95 0.00 0.00 178.83 177.52 2w2w h SER 107 N -1.21 -0.62 -0.52 1.46 0.02 -0.39 0.14 113.55 112.43 2w2w h SER 107 Ca -0.12 0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2w2w h SER 107 Cb 0.95 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 2w2w h SER 107 CO 0.16 -0.22 -0.01 0.40 -1.14 0.00 0.00 176.83 176.03 2w2w h ILE 108 N -0.01 1.26 0.01 3.27 2.04 -0.88 -2.99 117.51 120.22 2w2w h ILE 108 Ca 0.30 -1.12 -0.20 0.00 1.00 0.00 0.00 64.86 64.83 2w2w h ILE 108 Cb 0.47 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2w2w h ILE 108 CO -0.65 0.40 -0.92 -0.09 0.00 0.00 0.00 178.15 176.90 2w2w h ARG 109 N 0.89 0.19 -0.05 2.37 2.43 -0.57 -1.66 114.38 117.98 2w2w h ARG 109 Ca 0.16 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2w2w h ARG 109 Cb 0.54 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2w2w h ARG 109 CO 0.03 0.98 0.00 0.39 -1.51 0.00 0.00 179.97 179.86 2w2w n GLU 110 N -3.63 0.18 0.00 0.20 1.02 0.39 -2.26 120.64 116.54 2w2w n GLU 110 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2w2w n GLU 110 Cb 0.83 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 2w2w n GLU 110 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2w2w n ILE 111 N -0.24 0.00 1.57 -3.67 5.41 -0.91 -5.04 119.36 116.48 2w2w n ILE 111 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 2w2w n ILE 111 Cb 0.01 -0.18 0.59 0.00 -0.71 0.00 0.00 39.64 39.35 2w2w n ILE 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90