#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3o s ARG 9 N 0.00 0.17 0.18 1.61 1.70 -1.05 -5.01 118.95 116.55 2w3o s ARG 9 Ca 0.00 0.32 -0.25 0.00 -0.47 0.00 0.00 55.73 55.33 2w3o s ARG 9 Cb 0.00 -0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.28 2w3o s ARG 9 CO 0.00 -0.09 0.79 -0.51 -1.08 0.00 0.00 175.30 174.41 2w3o s LEU 10 N 0.59 4.57 0.12 -1.89 1.43 -1.26 -1.37 118.68 120.87 2w3o s LEU 10 Ca -0.04 1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.63 2w3o s LEU 10 Cb -0.06 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 2w3o s LEU 10 CO -0.03 0.18 0.22 -1.66 0.23 0.00 0.00 176.35 175.29 2w3o s TRP 11 N -1.20 0.32 -0.19 0.29 1.48 -0.25 -1.61 118.94 117.79 2w3o s TRP 11 Ca 0.37 -0.72 -0.05 0.00 -1.06 0.00 0.00 56.10 54.64 2w3o s TRP 11 Cb -0.23 -0.10 -0.03 0.00 -1.16 0.00 0.00 33.47 31.96 2w3o s TRP 11 CO 0.26 -0.62 0.00 -0.51 -4.06 0.00 0.00 176.95 172.02 2w3o s LEU 12 N -2.92 3.34 -0.25 -4.66 1.43 0.23 0.23 118.68 116.08 2w3o s LEU 12 Ca 0.12 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 2w3o s LEU 12 Cb 0.04 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2w3o s LEU 12 CO -0.05 0.11 0.26 -0.70 0.23 0.00 0.00 176.35 176.20 2w3o s GLU 13 N 0.75 4.05 0.51 1.70 2.12 0.96 -2.07 118.70 126.71 2w3o s GLU 13 Ca 0.00 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.20 2w3o s GLU 13 Cb -0.14 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.66 2w3o s GLU 13 CO 0.02 -0.10 0.76 -1.12 -0.54 0.00 0.00 175.26 174.28 2w3o s SER 14 N 1.37 5.65 0.61 -1.70 0.01 -1.26 -1.03 113.70 117.35 2w3o s SER 14 Ca 0.11 0.36 -0.18 0.00 1.31 0.00 0.00 55.95 57.55 2w3o s SER 14 Cb -0.15 -1.46 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 2w3o s SER 14 CO 0.08 -0.90 0.86 -2.65 0.41 0.00 0.00 173.24 171.04 2w3o n PRO 15 N -2.28 0.75 -1.78 12.44 -0.02 -1.26 -4.84 135.00 138.01 2w3o n PRO 15 Ca 0.03 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2w3o n PRO 15 Cb 0.58 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2w3o n PRO 15 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2w3o s PRO 16 N -2.68 4.12 0.00 0.52 0.04 -1.26 -1.62 135.00 134.12 2w3o s PRO 16 Ca 0.75 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.36 2w3o s PRO 16 Cb -0.41 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2w3o s PRO 16 CO 0.48 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2w3o n GLY 17 N 2.32 0.84 0.00 0.56 0.00 -1.26 -5.00 105.19 102.65 2w3o n GLY 17 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2w3o n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2w3o n GLU 18 N -2.29 1.89 -2.15 1.61 1.02 -0.64 -5.06 120.64 115.03 2w3o n GLU 18 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2w3o n GLU 18 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2w3o n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2w3o s ALA 19 N -3.00 3.00 1.02 0.62 0.00 -1.26 -5.01 121.76 117.13 2w3o s ALA 19 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 2w3o s ALA 19 Cb 0.00 -3.43 0.20 0.00 0.00 0.00 0.00 23.12 19.89 2w3o s ALA 19 CO 0.00 -0.80 1.08 -1.25 0.00 0.00 0.00 175.76 174.79 2w3o s PRO 20 N -2.63 0.28 0.34 0.00 0.04 -1.26 -4.37 135.00 127.39 2w3o s PRO 20 Ca 0.63 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 2w3o s PRO 20 Cb -0.32 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 2w3o s PRO 20 CO 0.39 -2.91 1.44 -2.30 0.04 0.00 0.00 177.00 173.67 2w3o n PRO 21 N -4.34 2.46 -3.44 0.56 -0.02 -1.26 -4.78 135.00 124.18 2w3o n PRO 21 Ca 0.06 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 2w3o n PRO 21 Cb 0.55 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 2w3o n PRO 21 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2w3o s ILE 22 N -0.79 4.88 0.02 4.25 1.01 -0.88 -4.95 121.20 124.73 2w3o s ILE 22 Ca 0.57 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 2w3o s ILE 22 Cb -0.52 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 2w3o s ILE 22 CO 0.59 -0.65 1.22 -0.36 0.00 0.00 0.00 174.94 175.74 2w3o s PHE 23 N 1.55 3.31 0.30 3.97 0.08 -1.26 -0.60 117.98 125.33 2w3o s PHE 23 Ca 0.04 1.23 -0.23 0.00 0.12 0.00 0.00 56.93 58.09 2w3o s PHE 23 Cb -0.25 -3.44 -0.09 0.00 -0.57 0.00 0.00 43.02 38.66 2w3o s PHE 23 CO 0.04 -1.39 0.86 -0.51 -0.10 0.00 0.00 175.22 174.12 2w3o s LEU 24 N 1.52 4.28 -0.05 -0.37 1.43 -0.63 -4.98 118.68 119.88 2w3o s LEU 24 Ca 0.58 1.65 -0.33 0.00 -1.03 0.00 0.00 54.13 55.00 2w3o s LEU 24 Cb -0.28 -3.95 -0.11 0.00 0.03 0.00 0.00 46.19 41.88 2w3o s LEU 24 CO 0.27 -0.08 1.89 -2.65 0.23 0.00 0.00 176.35 176.01 2w3o n PRO 25 N 0.41 2.34 -0.31 1.29 -0.02 -1.26 -4.75 135.00 132.69 2w3o n PRO 25 Ca 0.01 0.86 0.01 0.00 -2.02 0.00 0.00 63.50 62.36 2w3o n PRO 25 Cb 0.51 -2.73 0.12 0.00 -0.02 0.00 0.00 33.50 31.39 2w3o n PRO 25 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2w3o n SER 26 N 6.69 2.67 0.00 2.55 3.41 -1.26 -4.11 113.62 123.56 2w3o n SER 26 Ca 0.22 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2w3o n SER 26 Cb 0.32 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2w3o n SER 26 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2w3o n ASP 27 N 0.17 1.50 0.00 4.04 9.92 -1.26 -4.87 116.55 126.05 2w3o n ASP 27 Ca 0.11 -1.68 0.00 0.00 -0.53 0.00 0.00 54.79 52.69 2w3o n ASP 27 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 2w3o n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2w3o n GLY 28 N -0.34 1.33 3.76 0.44 0.00 -1.26 -5.06 105.19 104.07 2w3o n GLY 28 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2w3o n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3o s GLN 29 N -0.55 3.71 0.46 1.61 -0.21 -1.26 -4.88 119.66 118.53 2w3o s GLN 29 Ca 0.00 2.14 -0.21 0.00 0.02 0.00 0.00 55.36 57.31 2w3o s GLN 29 Cb 0.00 -2.57 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 2w3o s GLN 29 CO 0.00 -0.71 1.03 0.00 -2.12 0.00 0.00 175.29 173.49 2w3o s ALA 30 N -1.31 2.93 -0.10 6.09 0.00 -1.26 -4.53 121.76 123.57 2w3o s ALA 30 Ca 0.62 0.59 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2w3o s ALA 30 Cb -0.38 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2w3o s ALA 30 CO 0.47 -0.22 -0.23 -1.17 0.00 0.00 0.00 175.76 174.61 2w3o s LEU 31 N -3.29 2.05 -0.25 0.00 2.96 0.88 -4.94 118.68 116.09 2w3o s LEU 31 Ca 0.65 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 2w3o s LEU 31 Cb -0.16 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2w3o s LEU 31 CO 0.20 0.14 0.13 -0.69 -1.32 0.00 0.00 176.35 174.80 2w3o s VAL 32 N 0.44 4.92 0.20 1.68 1.01 -1.26 -0.08 120.40 127.32 2w3o s VAL 32 Ca -0.17 0.03 0.11 0.00 0.00 0.00 0.00 61.98 61.95 2w3o s VAL 32 Cb -0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2w3o s VAL 32 CO 0.07 0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.53 2w3o s LEU 33 N 1.37 2.47 0.00 3.92 1.43 -0.80 -5.01 118.68 122.06 2w3o s LEU 33 Ca 0.06 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2w3o s LEU 33 Cb -0.15 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2w3o s LEU 33 CO 0.06 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2w3o n GLY 34 N 0.06 -0.90 3.65 -3.19 0.00 -1.26 -1.59 105.19 101.97 2w3o n GLY 34 Ca -0.11 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2w3o n GLY 34 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w3o s ARG 35 N -0.28 4.05 0.00 1.61 3.52 0.40 -4.46 118.95 123.78 2w3o s ARG 35 Ca 0.00 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 2w3o s ARG 35 Cb 0.00 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2w3o s ARG 35 CO 0.00 -0.97 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 2w3o n GLY 36 N 4.18 1.53 0.27 8.12 0.00 -1.09 -4.44 105.19 113.75 2w3o n GLY 36 Ca 0.17 -1.05 0.10 0.00 0.00 0.00 0.00 46.02 45.24 2w3o n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2w3o h PRO 37 N 0.00 0.00 -0.33 1.61 0.13 -1.90 -0.98 132.00 130.54 2w3o h PRO 37 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2w3o h PRO 37 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2w3o h PRO 37 CO 0.00 0.00 0.05 -0.07 -0.23 0.00 0.00 178.00 177.75 2w3o h LEU 38 N 0.00 0.52 0.00 1.56 3.38 -1.95 -3.16 115.31 115.67 2w3o h LEU 38 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2w3o h LEU 38 Cb 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2w3o h LEU 38 CO -0.00 0.65 -0.75 0.35 0.09 0.00 0.00 178.44 178.78 2w3o n THR 39 N -4.60 0.31 -1.77 0.22 -2.24 -1.17 -4.76 114.28 100.27 2w3o n THR 39 Ca -0.02 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 2w3o n THR 39 Cb 0.22 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2w3o n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w3o n GLN 40 N -2.09 -1.51 -3.09 -0.78 6.02 -0.38 -4.63 117.38 110.92 2w3o n GLN 40 Ca 0.03 1.10 -0.40 0.00 -0.01 0.00 0.00 57.00 57.72 2w3o n GLN 40 Cb 0.44 -5.53 -0.05 0.00 1.02 0.00 0.00 30.24 26.12 2w3o n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2w3o s VAL 41 N -2.73 5.04 -1.68 5.09 1.01 -1.23 -4.93 120.40 120.97 2w3o s VAL 41 Ca 0.00 1.31 0.14 0.00 0.00 0.00 0.00 61.98 63.43 2w3o s VAL 41 Cb 0.00 -3.99 0.15 0.00 0.00 0.00 0.00 36.38 32.55 2w3o s VAL 41 CO 0.00 0.19 1.00 0.35 0.00 0.00 0.00 175.10 176.65 2w3o n THR 42 N 4.16 0.15 -1.60 3.92 -2.24 -1.26 -2.68 114.28 114.74 2w3o n THR 42 Ca -0.02 -0.58 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 2w3o n THR 42 Cb 0.51 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 2w3o n THR 42 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2w3o n ASP 43 N 0.79 3.27 0.29 3.42 -0.08 -1.26 -4.87 116.55 118.12 2w3o n ASP 43 Ca 0.09 0.41 0.18 0.00 -1.51 0.00 0.00 54.79 53.96 2w3o n ASP 43 Cb 0.37 -1.50 0.98 0.00 2.34 0.00 0.00 41.12 43.31 2w3o n ASP 43 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2w3o h ARG 44 N 13.49 0.00 0.00 -0.67 2.47 -2.01 -0.24 114.38 127.42 2w3o h ARG 44 Ca -0.41 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.28 2w3o h ARG 44 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2w3o h ARG 44 CO 0.96 0.00 -0.14 0.87 0.56 0.00 0.00 179.97 182.23 2w3o h LYS 45 N 0.00 0.00 -6.32 0.04 1.79 -2.02 -3.42 116.57 106.63 2w3o h LYS 45 Ca 0.02 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.95 2w3o h LYS 45 Cb 0.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 2w3o h LYS 45 CO -0.00 0.14 0.27 0.00 -1.08 0.00 0.00 179.45 178.78 2w3o s SER 47 N 0.66 5.74 0.59 0.00 0.15 -1.26 -4.51 113.70 115.06 2w3o s SER 47 Ca 0.46 2.07 0.36 0.00 0.70 0.00 0.00 55.95 59.53 2w3o s SER 47 Cb -0.20 -2.57 1.76 0.00 -1.71 0.00 0.00 66.02 63.30 2w3o s SER 47 CO 0.25 -1.20 2.14 0.03 1.20 0.00 0.00 173.24 175.66 2w3o h ARG 48 N 0.99 0.00 -2.21 5.44 3.08 -1.93 0.12 114.38 119.87 2w3o h ARG 48 Ca -0.49 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 58.97 2w3o h ARG 48 Cb 1.25 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.89 2w3o h ARG 48 CO 0.57 0.03 -0.78 0.25 -1.07 0.00 0.00 179.97 178.97 2w3o n THR 49 N -3.22 1.11 0.02 2.04 -2.24 -1.26 -4.03 114.28 106.70 2w3o n THR 49 Ca -0.01 -4.70 -0.18 0.00 -2.27 0.00 0.00 64.05 56.88 2w3o n THR 49 Cb 0.21 -2.04 -0.13 0.00 -2.10 0.00 0.00 70.33 66.27 2w3o n THR 49 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2w3o h GLN 50 N 4.29 0.35 -4.10 -0.78 5.75 -1.23 -3.10 115.11 116.29 2w3o h GLN 50 Ca 0.16 -0.46 -0.16 0.00 -0.15 0.00 0.00 58.65 58.03 2w3o h GLN 50 Cb 0.75 0.15 -0.19 0.00 1.07 0.00 0.00 27.48 29.27 2w3o h GLN 50 CO 0.68 1.16 -0.69 0.14 -2.65 0.00 0.00 178.83 177.47 2w3o s VAL 51 N -2.85 0.17 -0.14 2.39 -7.23 -0.82 -0.82 120.40 111.09 2w3o s VAL 51 Ca -0.13 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2w3o s VAL 51 Cb 0.02 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2w3o s VAL 51 CO 0.82 -0.66 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.16 2w3o s GLU 52 N -2.30 3.50 -0.11 4.82 2.12 0.57 -1.91 118.70 125.38 2w3o s GLU 52 Ca -0.08 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.66 2w3o s GLU 52 Cb -0.04 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 2w3o s GLU 52 CO -0.04 0.21 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.19 2w3o s LEU 53 N 0.40 2.39 -0.28 2.70 1.43 0.89 -0.86 118.68 125.35 2w3o s LEU 53 Ca -0.08 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2w3o s LEU 53 Cb -0.15 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.64 2w3o s LEU 53 CO 0.04 0.17 -0.02 -0.69 0.23 0.00 0.00 176.35 176.07 2w3o s VAL 54 N 0.33 1.89 0.29 -1.59 1.01 -0.30 -0.08 120.40 121.95 2w3o s VAL 54 Ca -0.15 -1.72 -0.28 0.00 0.00 0.00 0.00 61.98 59.84 2w3o s VAL 54 Cb -0.17 -2.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 2w3o s VAL 54 CO 0.07 -0.29 0.95 0.00 0.00 0.00 0.00 175.10 175.83 2w3o s ALA 55 N 1.17 3.26 -0.44 5.51 0.00 -1.26 -1.42 121.76 128.58 2w3o s ALA 55 Ca 0.00 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.57 2w3o s ALA 55 Cb -0.19 -3.20 0.12 0.00 0.00 0.00 0.00 23.12 19.85 2w3o s ALA 55 CO -0.08 0.17 0.17 0.34 0.00 0.00 0.00 175.76 176.36 2w3o s ASP 56 N -1.45 4.47 0.41 0.00 2.15 0.13 -4.50 116.67 117.89 2w3o s ASP 56 Ca 0.47 -2.61 0.10 0.00 0.43 0.00 0.00 52.55 50.93 2w3o s ASP 56 Cb -0.22 -1.59 0.87 0.00 -0.30 0.00 0.00 42.92 41.68 2w3o s ASP 56 CO 0.27 -0.30 1.98 -0.65 -0.17 0.00 0.00 175.17 176.30 2w3o h PRO 57 N 7.01 0.28 -0.87 4.34 0.11 -1.89 -0.08 132.00 140.89 2w3o h PRO 57 Ca -0.06 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2w3o h PRO 57 Cb 0.95 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 2w3o h PRO 57 CO 0.61 0.32 0.52 0.93 -0.21 0.00 0.00 178.00 180.17 2w3o h GLU 58 N 0.28 1.17 -0.02 1.05 3.07 -1.94 -2.61 114.58 115.58 2w3o h GLU 58 Ca 0.06 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2w3o h GLU 58 Cb 0.22 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2w3o h GLU 58 CO 0.01 0.82 -0.45 0.25 -1.40 0.00 0.00 179.01 178.23 2w3o n THR 59 N -4.36 0.00 -3.77 1.13 -2.24 -1.02 -4.98 114.28 99.04 2w3o n THR 59 Ca 0.09 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 2w3o n THR 59 Cb 0.06 1.23 0.03 0.00 -2.10 0.00 0.00 70.33 69.55 2w3o n THR 59 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2w3o n ARG 60 N -0.00 -5.23 -4.32 -0.78 1.74 -0.09 -4.97 116.66 103.01 2w3o n ARG 60 Ca 0.09 0.62 -0.17 0.00 -0.77 0.00 0.00 57.85 57.63 2w3o n ARG 60 Cb 0.47 -5.31 -0.10 0.00 -1.02 0.00 0.00 32.46 26.50 2w3o n ARG 60 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2w3o s THR 61 N -3.54 1.31 -0.06 0.55 -4.23 -0.93 -3.70 115.64 105.05 2w3o s THR 61 Ca 0.24 -2.09 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2w3o s THR 61 Cb -0.12 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.64 2w3o s THR 61 CO 0.82 -0.54 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.64 2w3o s VAL 62 N -3.24 0.55 0.07 2.29 1.01 -0.51 0.18 120.40 120.75 2w3o s VAL 62 Ca 0.23 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 2w3o s VAL 62 Cb 0.03 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2w3o s VAL 62 CO 0.06 0.26 0.73 0.00 0.00 0.00 0.00 175.10 176.15 2w3o s ALA 63 N 1.43 3.42 -0.12 5.51 0.00 -0.51 -0.65 121.76 130.84 2w3o s ALA 63 Ca -0.03 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.20 2w3o s ALA 63 Cb -0.13 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2w3o s ALA 63 CO -0.03 0.16 -0.14 0.08 0.00 0.00 0.00 175.76 175.83 2w3o s VAL 64 N -0.42 1.46 -0.15 0.00 1.01 -0.62 -1.15 120.40 120.53 2w3o s VAL 64 Ca 0.36 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2w3o s VAL 64 Cb -0.21 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2w3o s VAL 64 CO 0.23 0.44 -0.09 -0.75 0.00 0.00 0.00 175.10 174.92 2w3o s LYS 65 N 1.23 3.48 -0.02 2.72 2.20 -0.04 -0.52 119.74 128.79 2w3o s LYS 65 Ca -0.01 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 2w3o s LYS 65 Cb -0.14 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 2w3o s LYS 65 CO -0.05 0.19 1.10 -1.14 -0.36 0.00 0.00 175.35 175.09 2w3o s GLN 66 N 0.45 4.44 -0.08 4.03 0.74 -0.46 -0.32 119.66 128.47 2w3o s GLN 66 Ca -0.07 1.57 0.08 0.00 0.05 0.00 0.00 55.36 56.99 2w3o s GLN 66 Cb -0.15 -3.48 -0.11 0.00 1.10 0.00 0.00 33.01 30.37 2w3o s GLN 66 CO 0.04 -0.27 0.04 1.28 -0.55 0.00 0.00 175.29 175.83 2w3o n LEU 67 N 4.51 0.00 -4.71 3.68 4.77 -0.00 -0.40 117.00 124.84 2w3o n LEU 67 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 2w3o n LEU 67 Cb 0.48 0.19 0.14 0.00 -2.33 0.00 0.00 43.42 41.90 2w3o n LEU 67 CO 0.54 0.19 0.66 -0.83 -1.33 0.00 0.00 177.39 176.63 2w3o s GLY 68 N -3.97 1.63 0.10 -0.72 0.00 -0.29 -4.83 107.32 99.25 2w3o s GLY 68 Ca -0.04 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 2w3o s GLY 68 CO 0.35 0.54 1.28 -0.24 0.00 0.00 0.00 173.10 175.03 2w3o h VAL 69 N -1.58 1.30 -3.29 1.40 3.04 -1.91 -3.38 116.25 111.83 2w3o h VAL 69 Ca -0.48 -2.13 -0.52 0.00 -1.01 0.00 0.00 66.70 62.55 2w3o h VAL 69 Cb 1.27 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 2w3o h VAL 69 CO 0.52 0.66 -0.12 0.20 -1.01 0.00 0.00 177.57 177.82 2w3o s ASN 70 N -7.16 6.49 0.05 3.17 0.01 -1.26 -4.71 114.94 111.53 2w3o s ASN 70 Ca -0.09 0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 52.54 2w3o s ASN 70 Cb 0.08 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 2w3o s ASN 70 CO 0.90 -0.18 1.09 -2.16 -1.51 0.00 0.00 177.10 175.24 2w3o s PRO 71 N -3.39 4.52 0.34 -0.60 0.04 -1.26 -4.84 135.00 129.81 2w3o s PRO 71 Ca 0.45 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2w3o s PRO 71 Cb -0.11 -3.39 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 2w3o s PRO 71 CO 0.28 -0.11 0.66 -1.12 0.04 0.00 0.00 177.00 176.76 2w3o s SER 72 N 0.84 6.51 -0.17 6.66 0.01 -1.26 -1.36 113.70 124.93 2w3o s SER 72 Ca 0.54 0.95 0.01 0.00 1.31 0.00 0.00 55.95 58.76 2w3o s SER 72 Cb -0.26 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.74 2w3o s SER 72 CO 0.29 -0.28 -0.17 -0.89 0.41 0.00 0.00 173.24 172.60 2w3o s THR 73 N -2.20 2.36 -0.35 1.44 2.01 -0.65 -0.18 115.64 118.07 2w3o s THR 73 Ca 0.48 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 2w3o s THR 73 Cb -0.11 -1.99 0.06 0.00 0.01 0.00 0.00 72.50 70.47 2w3o s THR 73 CO 0.29 0.52 0.10 0.28 -0.69 0.00 0.00 174.62 175.13 2w3o s THR 74 N 1.10 3.50 0.00 -0.82 -1.32 0.65 -0.30 115.64 118.45 2w3o s THR 74 Ca 0.00 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 2w3o s THR 74 Cb -0.14 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.77 2w3o s THR 74 CO -0.06 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 2w3o n GLY 75 N 4.73 4.08 0.28 6.08 0.00 -0.06 -1.92 105.19 118.39 2w3o n GLY 75 Ca -0.11 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2w3o n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w3o n THR 76 N 0.00 0.00 -3.78 2.61 -2.24 -1.26 -4.88 114.28 104.73 2w3o n THR 76 Ca 0.00 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 2w3o n THR 76 Cb 0.00 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 2w3o n THR 76 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2w3o s GLN 77 N -2.35 3.49 -0.02 -0.78 0.74 -0.81 -5.08 119.66 114.86 2w3o s GLN 77 Ca 0.29 -0.58 -0.27 0.00 0.05 0.00 0.00 55.36 54.86 2w3o s GLN 77 Cb 0.20 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 2w3o s GLN 77 CO 0.46 -0.24 0.84 -2.00 -0.55 0.00 0.00 175.29 173.79 2w3o s GLU 78 N 1.57 4.51 0.63 1.67 2.12 -1.26 -0.25 118.70 127.69 2w3o s GLU 78 Ca 0.06 1.15 0.04 0.00 0.36 0.00 0.00 54.97 56.58 2w3o s GLU 78 Cb -0.15 -3.44 0.10 0.00 0.26 0.00 0.00 34.13 30.89 2w3o s GLU 78 CO 0.02 0.04 0.87 -0.51 -0.54 0.00 0.00 175.26 175.15 2w3o s LEU 79 N 0.79 3.10 0.17 2.70 1.43 0.75 -4.98 118.68 122.64 2w3o s LEU 79 Ca 0.44 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2w3o s LEU 79 Cb -0.20 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2w3o s LEU 79 CO 0.23 -1.54 0.18 -0.54 0.23 0.00 0.00 176.35 174.91 2w3o s LYS 80 N -4.89 1.13 0.30 1.70 1.02 -1.26 -4.39 119.74 113.35 2w3o s LYS 80 Ca 0.63 -1.41 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 2w3o s LYS 80 Cb -0.06 0.31 -0.13 0.00 -0.52 0.00 0.00 37.83 37.43 2w3o s LYS 80 CO 0.41 -0.38 1.37 -2.30 -0.92 0.00 0.00 175.35 173.53 2w3o n PRO 81 N -0.21 2.17 0.00 -1.68 -0.02 -1.26 -1.54 135.00 132.46 2w3o n PRO 81 Ca -0.03 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2w3o n PRO 81 Cb 0.64 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2w3o n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w3o n GLY 82 N 1.41 2.61 3.85 -1.23 0.00 0.46 -5.01 105.19 107.28 2w3o n GLY 82 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2w3o n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w3o s LEU 83 N 0.00 3.33 -0.03 0.99 1.43 -0.59 -4.76 118.68 119.05 2w3o s LEU 83 Ca 0.00 1.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 2w3o s LEU 83 Cb 0.00 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.72 2w3o s LEU 83 CO 0.00 -0.93 -0.20 -1.61 0.23 0.00 0.00 176.35 173.83 2w3o s GLU 84 N -4.80 1.78 0.00 1.70 2.02 -1.26 -1.36 118.70 116.78 2w3o s GLU 84 Ca 0.57 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.83 2w3o s GLU 84 Cb -0.12 -1.66 0.00 0.00 0.10 0.00 0.00 34.13 32.46 2w3o s GLU 84 CO 0.47 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.56 2w3o n GLY 85 N 2.73 5.58 3.39 -1.39 0.00 0.32 -5.00 105.19 110.83 2w3o n GLY 85 Ca -0.16 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2w3o n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w3o s SER 86 N 0.40 -0.35 -0.01 1.61 1.04 -1.26 -1.59 113.70 113.53 2w3o s SER 86 Ca 0.00 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.23 2w3o s SER 86 Cb 0.00 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2w3o s SER 86 CO 0.00 -0.93 -0.13 -0.76 0.98 0.00 0.00 173.24 172.40 2w3o s LEU 87 N -2.80 1.99 0.44 2.42 1.43 0.17 -4.46 118.68 117.88 2w3o s LEU 87 Ca 0.03 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2w3o s LEU 87 Cb 0.00 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 2w3o s LEU 87 CO -0.11 0.15 0.42 -0.83 0.23 0.00 0.00 176.35 176.22 2w3o s GLY 88 N -0.24 2.14 0.23 -3.19 0.00 -1.26 -1.42 107.32 103.58 2w3o s GLY 88 Ca 0.04 -1.82 -0.31 0.00 0.00 0.00 0.00 44.72 42.63 2w3o s GLY 88 CO -0.00 -1.72 1.66 0.14 0.00 0.00 0.00 173.10 173.17 2w3o s VAL 89 N -2.52 2.13 0.00 1.40 1.01 -1.24 -1.50 120.40 119.68 2w3o s VAL 89 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2w3o s VAL 89 Cb -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2w3o s VAL 89 CO 0.28 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2w3o n GLY 90 N 3.34 0.91 3.85 4.51 0.00 0.90 -5.02 105.19 113.68 2w3o n GLY 90 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2w3o n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w3o s ASP 91 N -2.57 6.75 -0.11 1.61 1.01 -0.56 -4.80 116.67 118.00 2w3o s ASP 91 Ca 0.00 1.36 0.00 0.00 0.71 0.00 0.00 52.55 54.62 2w3o s ASP 91 Cb 0.00 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 2w3o s ASP 91 CO 0.00 -0.30 -0.11 -0.89 0.21 0.00 0.00 175.17 174.08 2w3o s THR 92 N -2.14 3.27 -0.25 -1.27 2.01 -1.26 -0.86 115.64 115.14 2w3o s THR 92 Ca 0.56 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 2w3o s THR 92 Cb -0.10 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 2w3o s THR 92 CO 0.20 0.54 0.19 -0.22 -0.69 0.00 0.00 174.62 174.65 2w3o s LEU 93 N -0.02 4.09 -0.37 4.42 2.96 0.67 -0.88 118.68 129.56 2w3o s LEU 93 Ca -0.02 0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.83 2w3o s LEU 93 Cb -0.14 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.40 2w3o s LEU 93 CO 0.04 0.02 0.47 -0.31 -1.32 0.00 0.00 176.35 175.24 2w3o s TYR 94 N 1.29 3.17 0.27 5.38 1.51 0.58 -0.25 117.35 129.31 2w3o s TYR 94 Ca 0.09 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 2w3o s TYR 94 Cb -0.14 -2.89 0.50 0.00 -0.11 0.00 0.00 41.96 39.31 2w3o s TYR 94 CO 0.07 -0.58 1.81 -0.07 -1.11 0.00 0.00 175.55 175.67 2w3o h LEU 95 N 9.05 0.78 -7.00 -1.29 3.38 -0.64 -1.74 115.31 117.86 2w3o h LEU 95 Ca -0.28 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2w3o h LEU 95 Cb 1.12 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 2w3o h LEU 95 CO 0.77 0.41 0.22 0.54 0.09 0.00 0.00 178.44 180.47 2w3o s VAL 96 N -5.98 0.00 -1.48 1.22 0.11 -1.12 -4.10 120.40 109.05 2w3o s VAL 96 Ca -0.12 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.81 2w3o s VAL 96 Cb 0.21 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.14 2w3o s VAL 96 CO 0.80 0.00 0.79 0.59 -3.33 0.00 0.00 175.10 173.95 2w3o n ASN 97 N 2.34 -4.55 -1.48 3.54 3.02 -0.47 -0.83 115.26 116.82 2w3o n ASN 97 Ca -0.14 -0.64 -0.18 0.00 -0.03 0.00 0.00 54.58 53.59 2w3o n ASN 97 Cb 0.55 -3.68 -0.07 0.00 -0.61 0.00 0.00 39.78 35.98 2w3o n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w3o n GLY 98 N -1.51 1.51 3.47 7.41 0.00 -1.26 -4.99 105.19 109.82 2w3o n GLY 98 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2w3o n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2w3o s GLU 99 N -3.72 1.65 -0.51 1.61 2.02 -0.01 -4.93 118.70 114.82 2w3o s GLU 99 Ca 0.00 -1.81 -0.01 0.00 0.02 0.00 0.00 54.97 53.17 2w3o s GLU 99 Cb 0.00 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 2w3o s GLU 99 CO 0.00 0.18 0.47 0.72 0.02 0.00 0.00 175.26 176.65 2w3o n HIS 100 N -0.64 -1.72 -2.30 1.61 8.25 -1.26 -1.88 115.22 117.27 2w3o n HIS 100 Ca -0.05 0.64 -0.39 0.00 -0.26 0.00 0.00 57.72 57.65 2w3o n HIS 100 Cb 0.62 -3.22 -0.03 0.00 1.12 0.00 0.00 29.99 28.49 2w3o n HIS 100 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2w3o s PRO 101 N -3.26 4.30 -0.11 -0.41 0.04 -1.26 -1.87 135.00 132.43 2w3o s PRO 101 Ca 0.09 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 2w3o s PRO 101 Cb -0.01 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.65 2w3o s PRO 101 CO 0.45 -0.13 0.01 -0.51 0.04 0.00 0.00 177.00 176.86 2w3o s LEU 102 N -2.02 0.77 -0.19 -3.56 1.43 0.66 -4.45 118.68 111.31 2w3o s LEU 102 Ca 0.51 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 2w3o s LEU 102 Cb -0.33 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 2w3o s LEU 102 CO 0.43 -0.22 0.10 -0.89 0.23 0.00 0.00 176.35 176.00 2w3o s THR 103 N 1.93 5.18 -0.00 5.49 2.01 -0.20 -0.23 115.64 129.82 2w3o s THR 103 Ca 0.03 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2w3o s THR 103 Cb -0.14 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2w3o s THR 103 CO -0.06 0.46 1.34 -0.22 -0.69 0.00 0.00 174.62 175.44 2w3o s LEU 104 N 0.28 4.31 0.22 4.42 2.96 -0.04 -0.03 118.68 130.81 2w3o s LEU 104 Ca 0.07 2.04 0.07 0.00 -0.22 0.00 0.00 54.13 56.09 2w3o s LEU 104 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2w3o s LEU 104 CO -0.01 -0.66 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.12 2w3o s ARG 105 N 2.18 1.37 -0.11 1.98 1.81 0.13 -0.07 118.95 126.24 2w3o s ARG 105 Ca 0.61 -1.64 0.01 0.00 -1.72 0.00 0.00 55.73 53.00 2w3o s ARG 105 Cb -0.30 -1.05 0.02 0.00 -0.45 0.00 0.00 34.95 33.17 2w3o s ARG 105 CO 0.26 0.11 -0.13 -0.46 -0.68 0.00 0.00 175.30 174.40 2w3o s TRP 106 N -3.05 1.82 -1.96 -0.53 -0.11 -1.26 -1.09 118.94 112.75 2w3o s TRP 106 Ca 0.24 -0.86 0.16 0.00 1.22 0.00 0.00 56.10 56.86 2w3o s TRP 106 Cb 0.01 -1.35 0.12 0.00 -1.50 0.00 0.00 33.47 30.76 2w3o s TRP 106 CO 0.08 -0.47 1.00 -1.91 -4.62 0.00 0.00 176.95 171.02