#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weq n SER 2 N 0.00 -4.46 -4.66 1.61 7.64 -1.26 -4.95 113.62 107.54 1weq n SER 2 Ca 0.00 -0.72 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 1weq n SER 2 Cb 0.00 -4.24 0.18 0.00 -1.01 0.00 0.00 64.21 59.14 1weq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1weq s SER 3 N -3.53 2.64 -0.01 6.43 0.01 -1.26 -5.05 113.70 112.92 1weq s SER 3 Ca 0.51 1.37 -0.28 0.00 1.31 0.00 0.00 55.95 58.86 1weq s SER 3 Cb -0.25 -2.05 0.09 0.00 0.21 0.00 0.00 66.02 64.02 1weq s SER 3 CO 0.80 -3.15 1.26 0.61 0.41 0.00 0.00 173.24 173.18 1weq n GLY 4 N -0.76 0.24 3.48 3.44 0.00 -1.26 -5.19 105.19 105.14 1weq n GLY 4 Ca 0.06 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1weq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weq s SER 5 N -3.81 -0.51 0.35 1.61 0.15 -1.26 -5.19 113.70 105.04 1weq s SER 5 Ca 0.30 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.16 1weq s SER 5 Cb -0.01 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.74 1weq s SER 5 CO -0.00 -0.75 0.04 -0.44 1.20 0.00 0.00 173.24 173.29 1weq s SER 6 N -2.24 2.86 0.00 5.45 0.01 -1.26 -5.17 113.70 113.36 1weq s SER 6 Ca -0.00 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1weq s SER 6 Cb -0.01 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1weq s SER 6 CO -0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1weq n GLY 7 N -0.78 2.17 3.23 3.44 0.00 -1.26 -5.16 105.19 106.83 1weq n GLY 7 Ca -0.03 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 1weq n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1weq s GLU 8 N 4.47 1.31 0.43 1.61 8.01 -1.26 -5.16 118.70 128.11 1weq s GLU 8 Ca 0.00 -1.71 -0.14 0.00 0.01 0.00 0.00 54.97 53.14 1weq s GLU 8 Cb 0.00 0.20 -0.07 0.00 -4.31 0.00 0.00 34.13 29.95 1weq s GLU 8 CO 0.00 -0.42 0.84 -0.48 0.01 0.00 0.00 175.26 175.21 1weq s LEU 9 N -3.21 3.81 -0.28 1.80 0.05 -1.26 -5.06 118.68 114.52 1weq s LEU 9 Ca 0.39 1.32 -0.03 0.00 0.05 0.00 0.00 54.13 55.85 1weq s LEU 9 Cb 0.06 -4.20 0.03 0.00 -2.05 0.00 0.00 46.19 40.04 1weq s LEU 9 CO 0.14 -0.42 0.00 -1.61 -0.55 0.00 0.00 176.35 173.92 1weq s GLU 10 N -3.74 2.72 1.16 1.48 0.41 -1.26 -5.11 118.70 114.37 1weq s GLU 10 Ca 0.55 -1.07 -0.18 0.00 -0.41 0.00 0.00 54.97 53.85 1weq s GLU 10 Cb -0.10 -3.17 0.27 0.00 -1.78 0.00 0.00 34.13 29.34 1weq s GLU 10 CO 0.28 -0.51 1.11 -1.25 -0.49 0.00 0.00 175.26 174.40 1weq s PRO 11 N 1.34 -0.91 -1.52 0.39 0.04 -1.26 -4.11 135.00 128.96 1weq s PRO 11 Ca -0.01 0.04 -0.08 0.00 0.04 0.00 0.00 61.00 60.98 1weq s PRO 11 Cb -0.18 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 32.80 1weq s PRO 11 CO -0.01 -3.53 0.65 0.41 0.04 0.00 0.00 177.00 174.56 1weq n GLY 12 N -0.98 -0.34 3.16 0.56 0.00 -1.26 -4.93 105.19 101.39 1weq n GLY 12 Ca 0.11 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1weq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weq s ALA 13 N -3.62 3.16 -0.08 4.61 0.00 -1.26 -5.08 121.76 119.49 1weq s ALA 13 Ca 0.36 -2.40 -0.03 0.00 0.00 0.00 0.00 51.96 49.89 1weq s ALA 13 Cb -0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1weq s ALA 13 CO 0.89 -1.73 0.06 -0.06 0.00 0.00 0.00 175.76 174.92 1weq s PHE 14 N 1.22 3.33 -0.07 0.00 0.40 -1.26 -5.10 117.98 116.50 1weq s PHE 14 Ca 0.06 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1weq s PHE 14 Cb -0.23 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.51 1weq s PHE 14 CO -0.03 0.57 0.02 -1.54 0.70 0.00 0.00 175.22 174.95 1weq s SER 15 N -1.12 1.50 0.48 1.36 1.04 -1.26 -5.15 113.70 110.56 1weq s SER 15 Ca 0.16 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.57 1weq s SER 15 Cb -0.12 -0.36 0.02 0.00 0.10 0.00 0.00 66.02 65.67 1weq s SER 15 CO 0.05 -0.21 0.67 -0.70 0.98 0.00 0.00 173.24 174.03 1weq s GLU 16 N 2.03 2.73 0.09 4.02 2.56 -1.26 -5.13 118.70 123.73 1weq s GLU 16 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 54.97 54.09 1weq s GLU 16 Cb -0.12 -2.62 -0.03 0.00 2.00 0.00 0.00 34.13 33.35 1weq s GLU 16 CO -0.05 -0.46 -0.10 -0.51 -0.56 0.00 0.00 175.26 173.58 1weq s LEU 17 N -4.55 2.38 -0.04 2.70 1.43 -1.26 -5.06 118.68 114.27 1weq s LEU 17 Ca 0.55 -0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 1weq s LEU 17 Cb -0.10 -0.31 -0.27 0.00 0.03 0.00 0.00 46.19 45.54 1weq s LEU 17 CO 0.36 -0.24 0.97 0.10 0.23 0.00 0.00 176.35 177.77 1weq h TYR 18 N 3.74 0.47 -3.61 0.29 -0.00 -2.07 -3.46 116.97 112.33 1weq h TYR 18 Ca -0.38 -0.29 -0.50 0.00 0.00 0.00 0.00 58.73 57.56 1weq h TYR 18 Cb 1.19 -0.04 0.01 0.00 0.00 0.00 0.00 36.73 37.89 1weq h TYR 18 CO 0.63 1.17 0.08 1.14 -0.00 0.00 0.00 178.16 181.18 1weq s GLN 19 N -2.78 3.73 0.93 0.10 -2.07 -1.26 -5.05 119.66 113.25 1weq s GLN 19 Ca -0.14 0.37 -0.10 0.00 -1.82 0.00 0.00 55.36 53.66 1weq s GLN 19 Cb 0.01 -2.43 0.15 0.00 -1.09 0.00 0.00 33.01 29.66 1weq s GLN 19 CO 0.80 -0.02 1.14 1.03 -1.32 0.00 0.00 175.29 176.92 1weq s ARG 20 N -3.93 0.90 -0.40 9.60 0.52 -1.26 -4.98 118.95 119.40 1weq s ARG 20 Ca 0.50 1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 57.12 1weq s ARG 20 Cb -0.10 -1.72 0.04 0.00 0.52 0.00 0.00 34.95 33.69 1weq s ARG 20 CO 0.33 -2.70 0.25 -0.47 0.02 0.00 0.00 175.30 172.73 1weq s TYR 21 N -2.64 3.26 -0.46 -0.53 6.14 -1.26 -5.03 117.35 116.84 1weq s TYR 21 Ca 0.67 -1.05 0.04 0.00 0.64 0.00 0.00 57.07 57.36 1weq s TYR 21 Cb -0.23 -2.66 0.12 0.00 0.42 0.00 0.00 41.96 39.61 1weq s TYR 21 CO 0.58 -0.71 0.19 1.03 0.64 0.00 0.00 175.55 177.29 1weq s ARG 22 N 1.55 1.76 -0.26 4.97 0.52 -1.26 -3.34 118.95 122.89 1weq s ARG 22 Ca 0.03 -2.33 -0.03 0.00 -0.52 0.00 0.00 55.73 52.87 1weq s ARG 22 Cb -0.21 -3.20 0.14 0.00 0.52 0.00 0.00 34.95 32.21 1weq s ARG 22 CO 0.06 -1.06 0.45 -1.58 0.02 0.00 0.00 175.30 173.19 1weq s HIS 23 N 0.14 -1.04 -0.63 -0.53 2.46 -1.07 -4.80 115.29 109.82 1weq s HIS 23 Ca 0.15 1.17 -0.39 0.00 0.47 0.00 0.00 55.06 56.46 1weq s HIS 23 Cb -0.24 0.21 -0.19 0.00 -0.13 0.00 0.00 32.58 32.23 1weq s HIS 23 CO -0.03 -0.74 2.25 0.00 -2.47 0.00 0.00 174.74 173.75 1weq n ASP 25 N 8.17 4.24 -4.97 0.00 5.75 -1.19 -4.97 116.55 123.58 1weq n ASP 25 Ca 0.57 -3.79 -0.21 0.00 -0.01 0.00 0.00 54.79 51.34 1weq n ASP 25 Cb -0.02 -0.47 0.02 0.00 -1.03 0.00 0.00 41.12 39.63 1weq n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1weq s ALA 26 N -3.51 3.91 -0.00 2.12 0.00 -1.26 -4.80 121.76 118.21 1weq s ALA 26 Ca 0.49 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1weq s ALA 26 Cb 0.41 -2.04 -0.19 0.00 0.00 0.00 0.00 23.12 21.30 1weq s ALA 26 CO 0.01 -0.52 1.29 -1.00 0.00 0.00 0.00 175.76 175.54 1weq h PRO 27 N 0.30 0.10 -4.86 0.00 0.13 -1.94 -3.45 132.00 122.28 1weq h PRO 27 Ca -0.44 -0.05 -0.42 0.00 -0.87 0.00 0.00 66.00 64.22 1weq h PRO 27 Cb 1.28 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.12 1weq h PRO 27 CO 0.54 0.56 -0.79 0.42 -0.23 0.00 0.00 178.00 178.50 1weq s ILE 28 N -4.28 0.81 0.14 -3.56 -1.09 -1.24 -5.13 121.20 106.85 1weq s ILE 28 Ca -0.15 -0.44 0.09 0.00 -2.23 0.00 0.00 60.65 57.92 1weq s ILE 28 Cb 0.03 -0.68 -0.04 0.00 -1.58 0.00 0.00 42.46 40.18 1weq s ILE 28 CO 0.70 0.23 -0.16 0.00 -1.23 0.00 0.00 174.94 174.48 1weq n LEU 30 N 0.56 1.97 -4.49 0.00 4.77 -1.26 -4.99 117.00 113.57 1weq n LEU 30 Ca -0.14 -0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.36 1weq n LEU 30 Cb 0.54 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1weq n LEU 30 CO 0.30 0.35 1.84 0.00 -1.33 0.00 0.00 177.39 178.56 1weq n TYR 31 N -2.37 1.64 -0.34 -1.77 9.36 -1.26 -4.80 117.16 117.63 1weq n TYR 31 Ca -0.02 0.18 0.18 0.00 3.32 0.00 0.00 57.90 61.56 1weq n TYR 31 Cb 0.53 -2.58 0.36 0.00 -0.63 0.00 0.00 39.34 37.02 1weq n TYR 31 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1weq h GLU 32 N 13.45 0.02 -0.82 2.98 4.39 -2.02 0.63 114.58 133.20 1weq h GLU 32 Ca -0.29 -0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.61 1weq h GLU 32 Cb 1.30 -0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.81 1weq h GLU 32 CO 1.03 0.01 0.16 0.37 -1.16 0.00 0.00 179.01 179.41 1weq h GLN 33 N 0.02 0.19 -5.80 2.33 5.75 -2.01 -3.46 115.11 112.13 1weq h GLN 33 Ca 0.65 -0.01 -0.34 0.00 -0.15 0.00 0.00 58.65 58.81 1weq h GLN 33 Cb 1.45 -0.04 0.14 0.00 1.07 0.00 0.00 27.48 30.11 1weq h GLN 33 CO -0.88 0.12 -0.88 0.41 -2.65 0.00 0.00 178.83 174.96 1weq n GLY 34 N -1.39 -0.94 1.95 2.39 0.00 0.22 -5.00 105.19 102.42 1weq n GLY 34 Ca 0.18 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 1weq n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1weq n ARG 35 N -3.74 0.56 -0.64 1.61 1.85 -1.26 -5.02 116.66 110.01 1weq n ARG 35 Ca -0.12 -1.24 -0.05 0.00 -1.00 0.00 0.00 57.85 55.44 1weq n ARG 35 Cb 0.62 1.46 -0.07 0.00 -1.05 0.00 0.00 32.46 33.42 1weq n ARG 35 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1weq n ASP 36 N -1.39 4.60 -4.62 2.89 2.03 -1.26 -4.70 116.55 114.10 1weq n ASP 36 Ca -0.04 -2.29 -0.36 0.00 0.52 0.00 0.00 54.79 52.63 1weq n ASP 36 Cb 0.31 -1.10 -0.10 0.00 -0.72 0.00 0.00 41.12 39.51 1weq n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1weq s SER 37 N 2.06 5.82 0.11 1.67 0.15 -1.26 -4.99 113.70 117.26 1weq s SER 37 Ca 0.28 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.92 1weq s SER 37 Cb 0.13 -2.03 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1weq s SER 37 CO 0.00 0.09 0.18 -0.36 1.20 0.00 0.00 173.24 174.35 1weq s PHE 38 N 0.88 0.31 0.27 3.44 0.40 -1.26 -4.90 117.98 117.12 1weq s PHE 38 Ca 0.06 -0.74 0.08 0.00 -0.60 0.00 0.00 56.93 55.73 1weq s PHE 38 Cb -0.13 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.23 1weq s PHE 38 CO 0.03 -0.56 0.18 -2.00 0.70 0.00 0.00 175.22 173.57 1weq s GLU 39 N -3.91 2.77 0.22 0.44 2.56 -0.49 -4.92 118.70 115.38 1weq s GLU 39 Ca 0.10 -1.17 0.05 0.00 0.00 0.00 0.00 54.97 53.94 1weq s GLU 39 Cb 0.05 -2.47 0.63 0.00 2.00 0.00 0.00 34.13 34.34 1weq s GLU 39 CO -0.07 0.33 1.08 -3.47 -0.56 0.00 0.00 175.26 172.56 1weq n ASP 40 N -1.17 0.00 -3.61 -1.70 2.03 -1.26 -4.52 116.55 106.31 1weq n ASP 40 Ca -0.06 1.16 -0.06 0.00 0.52 0.00 0.00 54.79 56.35 1weq n ASP 40 Cb 0.59 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1weq n ASP 40 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1weq s GLU 41 N -5.45 1.60 0.00 -0.67 -1.05 -1.26 -4.94 118.70 106.93 1weq s GLU 41 Ca -0.08 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 1weq s GLU 41 Cb 0.21 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.41 1weq s GLU 41 CO 0.54 -0.74 0.00 0.41 0.95 0.00 0.00 175.26 176.42 1weq n GLY 42 N -0.50 0.21 0.17 -3.83 0.00 -1.26 -4.69 105.19 95.28 1weq n GLY 42 Ca -0.05 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 1weq n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1weq h ARG 43 N 0.00 0.51 -1.80 1.61 0.11 -2.01 -3.18 114.38 109.62 1weq h ARG 43 Ca 0.00 -0.30 -0.27 0.00 0.10 0.00 0.00 59.98 59.51 1weq h ARG 43 Cb 0.00 0.03 -0.11 0.00 1.11 0.00 0.00 29.97 31.00 1weq h ARG 43 CO 0.00 0.90 0.20 0.91 0.10 0.00 0.00 179.97 182.08 1weq n TRP 44 N -4.38 0.99 -3.74 4.08 5.03 -1.26 -2.01 117.44 116.15 1weq n TRP 44 Ca -0.06 -1.69 -0.36 0.00 3.03 0.00 0.00 57.50 58.43 1weq n TRP 44 Cb 0.45 -1.04 -0.06 0.00 -1.03 0.00 0.00 31.31 29.63 1weq n TRP 44 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 1weq s ARG 45 N -0.99 3.61 -0.61 -0.99 1.70 -1.20 -1.39 118.95 119.06 1weq s ARG 45 Ca 0.36 0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.35 1weq s ARG 45 Cb 0.23 -3.14 0.01 0.00 -0.57 0.00 0.00 34.95 31.49 1weq s ARG 45 CO -0.05 0.70 1.46 -1.17 -1.08 0.00 0.00 175.30 175.15 1weq s LEU 46 N -1.41 3.32 -0.22 -1.89 2.96 -1.26 -3.15 118.68 117.03 1weq s LEU 46 Ca 0.23 0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 1weq s LEU 46 Cb -0.14 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 1weq s LEU 46 CO 0.12 -1.86 0.20 -0.63 -1.32 0.00 0.00 176.35 172.86 1weq s ILE 47 N 6.50 5.34 -0.09 6.68 1.01 0.41 -4.89 121.20 136.17 1weq s ILE 47 Ca 0.51 0.29 -0.08 0.00 0.00 0.00 0.00 60.65 61.36 1weq s ILE 47 Cb -0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1weq s ILE 47 CO 0.22 0.35 0.19 -0.76 0.00 0.00 0.00 174.94 174.95 1weq s LEU 48 N 0.90 4.40 0.95 2.97 1.43 -1.26 -1.73 118.68 126.34 1weq s LEU 48 Ca 0.10 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.60 1weq s LEU 48 Cb -0.13 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 1weq s LEU 48 CO 0.04 0.38 -0.11 0.00 0.23 0.00 0.00 176.35 176.88 1weq n ALA 50 N -3.01 2.01 0.01 0.00 0.00 -0.93 -3.84 120.51 114.74 1weq n ALA 50 Ca 0.03 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1weq n ALA 50 Cb 0.54 0.29 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 1weq n ALA 50 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1weq h THR 51 N -0.38 0.00 0.00 0.00 2.02 -1.93 -3.36 112.91 109.25 1weq h THR 51 Ca -0.34 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.52 1weq h THR 51 Cb 1.34 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1weq h THR 51 CO -0.18 0.00 -2.14 0.00 0.37 0.00 0.00 175.52 173.58 1weq n GLY 53 N 2.13 0.98 1.70 0.00 0.00 -1.25 -5.00 105.19 103.74 1weq n GLY 53 Ca -0.38 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1weq n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1weq n SER 54 N 0.97 3.07 -3.67 1.61 7.64 -1.26 -4.81 113.62 117.16 1weq n SER 54 Ca 0.00 -3.33 -0.13 0.00 1.01 0.00 0.00 58.87 56.42 1weq n SER 54 Cb 0.31 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 1weq n SER 54 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1weq s HIS 55 N -3.16 -0.66 -0.05 1.43 3.76 -1.26 -4.99 115.29 110.36 1weq s HIS 55 Ca 0.42 1.58 -0.00 0.00 -0.15 0.00 0.00 55.06 56.91 1weq s HIS 55 Cb 0.38 0.24 0.03 0.00 1.11 0.00 0.00 32.58 34.33 1weq s HIS 55 CO -0.03 -0.32 -0.01 0.20 -0.85 0.00 0.00 174.74 173.74 1weq s GLY 56 N 0.38 0.39 0.25 -2.22 0.00 -1.21 -0.79 107.32 104.12 1weq s GLY 56 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 1weq s GLY 56 CO -0.00 0.78 0.47 -1.08 0.00 0.00 0.00 173.10 173.27 1weq s THR 57 N 1.39 0.00 0.99 0.90 -1.32 -0.71 -2.13 115.64 114.76 1weq s THR 57 Ca -0.04 -1.42 -0.12 0.00 -1.21 0.00 0.00 61.69 58.89 1weq s THR 57 Cb -0.13 -2.21 0.18 0.00 -1.51 0.00 0.00 72.50 68.83 1weq s THR 57 CO -0.02 0.00 1.09 -1.00 -2.21 0.00 0.00 174.62 172.47 1weq s HIS 58 N -4.02 2.08 -0.02 9.09 0.09 -1.26 -0.44 115.29 120.82 1weq s HIS 58 Ca 0.23 1.07 -0.06 0.00 -0.00 0.00 0.00 55.06 56.30 1weq s HIS 58 Cb -0.00 -3.23 -0.03 0.00 -0.00 0.00 0.00 32.58 29.31 1weq s HIS 58 CO 0.09 -2.87 0.45 -0.09 -0.00 0.00 0.00 174.74 172.32 1weq h ARG 59 N -1.88 -0.20 -0.53 1.40 1.12 -1.35 -3.16 114.38 109.79 1weq h ARG 59 Ca -0.54 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.34 1weq h ARG 59 Cb 1.32 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 31.30 1weq h ARG 59 CO 0.56 -0.13 0.31 0.22 -3.11 0.00 0.00 179.97 177.82 1weq h ASP 60 N -0.47 0.64 -1.03 -3.80 1.82 -1.90 -2.49 116.42 109.19 1weq h ASP 60 Ca -0.02 -0.07 0.30 0.00 -0.39 0.00 0.00 57.03 56.86 1weq h ASP 60 Cb 0.16 -0.16 -0.14 0.00 0.68 0.00 0.00 39.33 39.87 1weq h ASP 60 CO 0.03 0.52 0.61 0.00 -1.61 0.00 0.00 179.24 178.79 1weq n SER 62 N -4.94 3.25 -3.81 0.00 2.88 -0.94 -3.61 113.62 106.45 1weq n SER 62 Ca 0.30 -2.37 -0.26 0.00 -1.33 0.00 0.00 58.87 55.21 1weq n SER 62 Cb 0.94 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.74 1weq n SER 62 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1weq n SER 63 N 0.16 -0.00 -3.64 -3.46 2.88 0.31 -4.88 113.62 104.98 1weq n SER 63 Ca 0.13 -0.93 -0.20 0.00 -1.33 0.00 0.00 58.87 56.55 1weq n SER 63 Cb 0.76 -1.17 0.12 0.00 -0.75 0.00 0.00 64.21 63.17 1weq n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1weq n LEU 64 N -3.46 0.00 -4.68 2.46 4.77 -1.20 -5.07 117.00 109.82 1weq n LEU 64 Ca -0.13 -1.32 -0.23 0.00 -0.03 0.00 0.00 56.01 54.31 1weq n LEU 64 Cb 0.45 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1weq n LEU 64 CO 0.66 -1.04 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.26 1weq s ARG 65 N -4.80 2.38 0.48 3.23 3.00 -1.26 -4.89 118.95 117.08 1weq s ARG 65 Ca 0.53 -1.42 0.27 0.00 0.00 0.00 0.00 55.73 55.11 1weq s ARG 65 Cb -0.02 -2.20 1.14 0.00 0.00 0.00 0.00 34.95 33.86 1weq s ARG 65 CO 0.36 0.31 1.91 -1.00 0.00 0.00 0.00 175.30 176.88 1weq h PRO 66 N 1.77 0.00 -1.26 3.54 0.13 -2.00 -3.09 132.00 131.08 1weq h PRO 66 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 1weq h PRO 66 Cb 1.25 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.03 1weq h PRO 66 CO 0.61 0.16 0.15 0.09 -0.23 0.00 0.00 178.00 178.78 1weq n ASN 67 N -3.37 6.35 -4.82 1.44 3.02 -1.26 -5.00 115.26 111.61 1weq n ASN 67 Ca -0.00 -3.78 -0.35 0.00 -0.03 0.00 0.00 54.58 50.42 1weq n ASN 67 Cb 0.36 -0.73 -0.07 0.00 -0.61 0.00 0.00 39.78 38.74 1weq n ASN 67 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1weq s SER 68 N -2.47 5.99 -0.27 6.41 0.15 -1.17 -5.02 113.70 117.32 1weq s SER 68 Ca 0.55 0.31 -0.14 0.00 0.70 0.00 0.00 55.95 57.37 1weq s SER 68 Cb 0.45 -1.84 -0.12 0.00 -1.71 0.00 0.00 66.02 62.81 1weq s SER 68 CO -0.12 0.34 -0.35 1.17 1.20 0.00 0.00 173.24 175.48 1weq n LYS 69 N 1.63 0.57 -4.17 5.44 4.81 -1.26 -5.03 118.16 120.14 1weq n LYS 69 Ca -0.16 0.25 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 1weq n LYS 69 Cb 0.54 -1.46 -0.11 0.00 0.02 0.00 0.00 35.03 34.02 1weq n LYS 69 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1weq s LYS 70 N -2.51 0.83 0.04 1.64 -2.85 -1.26 -5.16 119.74 110.47 1weq s LYS 70 Ca -0.38 -1.11 0.07 0.00 -1.00 0.00 0.00 55.97 53.56 1weq s LYS 70 Cb 0.14 -0.57 -0.02 0.00 -2.06 0.00 0.00 37.83 35.32 1weq s LYS 70 CO 0.48 0.10 -0.21 -0.46 0.10 0.00 0.00 175.35 175.35 1weq s TRP 71 N -2.21 1.84 0.08 1.78 -0.00 -1.26 -5.04 118.94 114.13 1weq s TRP 71 Ca 0.04 -0.37 0.05 0.00 -0.00 0.00 0.00 56.10 55.82 1weq s TRP 71 Cb -0.04 -1.11 -0.04 0.00 -0.00 0.00 0.00 33.47 32.28 1weq s TRP 71 CO 0.00 0.08 -0.04 -1.21 -0.00 0.00 0.00 176.95 175.78 1weq s GLU 72 N -1.09 2.41 0.71 5.86 2.02 -1.26 -2.19 118.70 125.15 1weq s GLU 72 Ca 0.08 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 54.07 1weq s GLU 72 Cb -0.09 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.70 1weq s GLU 72 CO 0.01 0.54 1.08 0.00 0.02 0.00 0.00 175.26 176.92 1weq h ASN 74 N -0.68 -1.51 -0.98 0.00 -0.73 -1.90 0.22 115.58 110.00 1weq h ASN 74 Ca -0.45 0.15 0.34 0.00 1.87 0.00 0.00 56.30 58.20 1weq h ASN 74 Cb 1.24 0.54 -0.17 0.00 0.27 0.00 0.00 38.32 40.20 1weq h ASN 74 CO 0.62 -0.60 0.43 -0.08 -0.37 0.00 0.00 177.43 177.43 1weq h GLU 75 N -0.85 0.13 -0.04 6.67 4.57 -1.99 0.23 114.58 123.30 1weq h GLU 75 Ca -0.03 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1weq h GLU 75 Cb 0.80 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1weq h GLU 75 CO -0.20 0.09 -0.15 0.00 -1.18 0.00 0.00 179.01 177.56 1weq n LEU 77 N -4.60 4.41 -4.57 0.00 4.77 0.80 -4.84 117.00 112.98 1weq n LEU 77 Ca -0.09 0.66 -0.27 0.00 -0.03 0.00 0.00 56.01 56.29 1weq n LEU 77 Cb 0.41 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 39.96 1weq n LEU 77 CO 0.38 -1.68 1.39 -2.16 -1.33 0.00 0.00 177.39 173.98 1weq s PRO 78 N -3.68 2.54 -0.17 3.23 0.04 -1.26 -4.90 135.00 130.80 1weq s PRO 78 Ca 0.75 -0.54 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 1weq s PRO 78 Cb -0.33 -5.12 -0.01 0.00 0.04 0.00 0.00 34.50 29.09 1weq s PRO 78 CO 0.48 -3.55 1.17 0.00 0.04 0.00 0.00 177.00 175.14 1weq s ALA 79 N 10.35 3.64 -0.28 8.56 0.00 -1.26 -4.94 121.76 137.83 1weq s ALA 79 Ca 0.70 0.38 -0.36 0.00 0.00 0.00 0.00 51.96 52.68 1weq s ALA 79 Cb -0.05 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.37 1weq s ALA 79 CO 0.03 -1.06 2.03 -1.13 0.00 0.00 0.00 175.76 175.64 1weq n SER 80 N 6.26 2.46 0.00 0.00 3.41 -1.26 -4.66 113.62 119.84 1weq n SER 80 Ca 0.13 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1weq n SER 80 Cb 0.46 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1weq n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1weq n GLY 81 N 5.60 3.00 3.77 5.00 0.00 -1.26 -5.07 105.19 116.22 1weq n GLY 81 Ca 0.34 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1weq n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weq s PRO 82 N -3.20 2.96 -0.38 1.61 0.04 -1.26 -5.02 135.00 129.74 1weq s PRO 82 Ca 0.00 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1weq s PRO 82 Cb 0.00 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1weq s PRO 82 CO 0.00 -1.13 0.19 -1.54 0.04 0.00 0.00 177.00 174.56 1weq s SER 83 N -2.36 5.49 -0.00 6.66 1.04 -1.26 -4.97 113.70 118.30 1weq s SER 83 Ca 0.69 -1.37 -0.25 0.00 0.48 0.00 0.00 55.95 55.49 1weq s SER 83 Cb -0.21 -1.93 -0.19 0.00 0.10 0.00 0.00 66.02 63.79 1weq s SER 83 CO 0.37 -0.45 1.33 0.28 0.98 0.00 0.00 173.24 175.76 1weq h SER 84 N 8.31 -0.04 -0.02 7.02 0.02 -2.04 -3.54 113.55 123.25 1weq h SER 84 Ca -0.22 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1weq h SER 84 Cb 1.08 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1weq h SER 84 CO 0.69 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.34