#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weq s SER 2 N 0.00 -0.34 -0.01 1.61 0.15 -1.26 -5.18 113.70 108.67 1weq s SER 2 Ca 0.00 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.12 1weq s SER 2 Cb 0.00 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1weq s SER 2 CO 0.00 -1.07 0.35 -0.55 1.20 0.00 0.00 173.24 173.17 1weq s SER 3 N -2.84 -0.23 0.00 5.45 0.15 -1.26 -5.13 113.70 109.83 1weq s SER 3 Ca 0.07 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1weq s SER 3 Cb -0.02 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1weq s SER 3 CO -0.04 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1weq n GLY 4 N 1.14 3.32 3.43 9.45 0.00 -1.26 -5.17 105.19 116.09 1weq n GLY 4 Ca -0.21 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 3.43 -0.26 1.61 0.15 -1.26 -5.12 113.70 112.24 1weq s SER 5 Ca 0.00 -0.90 -0.01 0.00 0.70 0.00 0.00 55.95 55.74 1weq s SER 5 Cb 0.00 -0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.13 1weq s SER 5 CO 0.00 0.10 0.06 -0.55 1.20 0.00 0.00 173.24 174.05 1weq s SER 6 N -2.84 3.60 -0.30 5.45 0.15 -1.26 -5.08 113.70 113.43 1weq s SER 6 Ca 0.22 -1.29 -0.11 0.00 0.70 0.00 0.00 55.95 55.47 1weq s SER 6 Cb -0.07 -0.78 0.18 0.00 -1.71 0.00 0.00 66.02 63.63 1weq s SER 6 CO 0.11 -0.36 0.96 -0.83 1.20 0.00 0.00 173.24 174.32 1weq s GLY 7 N 1.70 -0.42 0.31 9.45 0.00 -1.26 -5.18 107.32 111.92 1weq s GLY 7 Ca 0.04 2.67 0.06 0.00 0.00 0.00 0.00 44.72 47.49 1weq s GLY 7 CO -0.18 3.62 -0.01 -0.54 0.00 0.00 0.00 173.10 175.99 1weq s GLU 8 N 2.83 1.64 0.12 2.90 8.01 -1.26 -5.17 118.70 127.77 1weq s GLU 8 Ca 0.03 -1.87 -0.02 0.00 0.01 0.00 0.00 54.97 53.11 1weq s GLU 8 Cb -0.10 -1.12 -0.03 0.00 -4.31 0.00 0.00 34.13 28.57 1weq s GLU 8 CO -0.14 -0.05 0.08 -0.48 0.01 0.00 0.00 175.26 174.68 1weq s LEU 9 N -3.49 1.74 -0.60 1.80 0.05 -1.26 -5.12 118.68 111.81 1weq s LEU 9 Ca 0.33 -1.12 -0.13 0.00 0.05 0.00 0.00 54.13 53.26 1weq s LEU 9 Cb 0.06 0.43 0.15 0.00 -2.05 0.00 0.00 46.19 44.78 1weq s LEU 9 CO 0.14 -0.74 0.52 -1.61 -0.55 0.00 0.00 176.35 174.11 1weq s GLU 10 N -4.02 2.98 0.47 1.48 2.02 -1.26 -5.06 118.70 115.31 1weq s GLU 10 Ca 0.20 -1.96 -0.22 0.00 0.02 0.00 0.00 54.97 53.01 1weq s GLU 10 Cb 0.07 -4.20 -0.07 0.00 0.10 0.00 0.00 34.13 30.03 1weq s GLU 10 CO -0.00 -1.28 1.16 -1.25 0.02 0.00 0.00 175.26 173.91 1weq s PRO 11 N 1.09 3.69 -1.32 0.39 0.04 -1.26 -3.67 135.00 133.95 1weq s PRO 11 Ca 0.08 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1weq s PRO 11 Cb -0.24 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1weq s PRO 11 CO -0.01 -0.60 0.73 0.41 0.04 0.00 0.00 177.00 177.57 1weq n GLY 12 N 0.40 -0.31 2.97 0.56 0.00 -1.26 -4.95 105.19 102.61 1weq n GLY 12 Ca 0.08 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.63 3.97 -0.69 4.61 0.00 -1.24 -4.99 121.76 119.78 1weq s ALA 13 Ca 0.05 -3.84 0.01 0.00 0.00 0.00 0.00 51.96 48.18 1weq s ALA 13 Cb -0.03 -2.40 0.17 0.00 0.00 0.00 0.00 23.12 20.87 1weq s ALA 13 CO 0.81 -2.11 0.50 -0.06 0.00 0.00 0.00 175.76 174.90 1weq s PHE 14 N -1.42 3.53 -0.27 0.00 0.40 -1.26 -5.06 117.98 113.90 1weq s PHE 14 Ca 0.26 -3.09 -0.34 0.00 -0.60 0.00 0.00 56.93 53.16 1weq s PHE 14 Cb -0.06 -2.98 -0.11 0.00 0.51 0.00 0.00 43.02 40.39 1weq s PHE 14 CO -0.15 -0.70 2.11 0.45 0.70 0.00 0.00 175.22 177.62 1weq n SER 15 N 2.64 2.62 -4.56 1.36 2.88 -1.26 -4.88 113.62 112.42 1weq n SER 15 Ca 0.14 0.53 -0.37 0.00 -1.33 0.00 0.00 58.87 57.84 1weq n SER 15 Cb 0.35 -1.33 0.05 0.00 -0.75 0.00 0.00 64.21 62.54 1weq n SER 15 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1weq n GLU 16 N 7.81 0.68 -3.60 -1.46 4.07 -1.26 -5.01 120.64 121.87 1weq n GLU 16 Ca 0.35 0.27 -0.25 0.00 -0.06 0.00 0.00 57.16 57.47 1weq n GLU 16 Cb 0.28 -2.00 -0.17 0.00 -0.06 0.00 0.00 31.44 29.49 1weq n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1weq s LEU 17 N -1.16 0.27 0.08 4.31 1.43 -1.26 -5.04 118.68 117.31 1weq s LEU 17 Ca 0.73 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1weq s LEU 17 Cb -0.41 -0.16 -0.17 0.00 0.03 0.00 0.00 46.19 45.47 1weq s LEU 17 CO 0.50 -0.34 1.67 1.88 0.23 0.00 0.00 176.35 180.29 1weq h TYR 18 N 8.41 -0.54 -3.92 0.29 0.05 -2.05 -3.43 116.97 115.79 1weq h TYR 18 Ca -0.15 -0.01 -0.47 0.00 0.05 0.00 0.00 58.73 58.15 1weq h TYR 18 Cb 1.15 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 1weq h TYR 18 CO 0.18 -0.34 0.36 -0.65 -1.05 0.00 0.00 178.16 176.67 1weq s GLN 19 N -6.10 4.46 0.08 4.88 -1.52 -1.26 -5.01 119.66 115.18 1weq s GLN 19 Ca -0.16 1.37 -0.30 0.00 -1.95 0.00 0.00 55.36 54.32 1weq s GLN 19 Cb 0.04 -2.70 -0.06 0.00 -0.22 0.00 0.00 33.01 30.08 1weq s GLN 19 CO 0.63 0.15 1.15 1.03 -0.25 0.00 0.00 175.29 178.01 1weq s ARG 20 N -2.24 4.48 -0.48 2.91 3.00 -1.26 -4.97 118.95 120.39 1weq s ARG 20 Ca 0.53 1.72 -0.28 0.00 0.00 0.00 0.00 55.73 57.69 1weq s ARG 20 Cb -0.19 -3.34 0.01 0.00 0.00 0.00 0.00 34.95 31.43 1weq s ARG 20 CO 0.24 -0.16 1.36 -0.47 0.00 0.00 0.00 175.30 176.28 1weq s TYR 21 N 0.75 2.43 -0.43 -0.53 5.04 -1.26 -4.88 117.35 118.47 1weq s TYR 21 Ca 0.56 0.61 0.09 0.00 -2.44 0.00 0.00 57.07 55.89 1weq s TYR 21 Cb -0.29 -4.37 0.41 0.00 0.35 0.00 0.00 41.96 38.06 1weq s TYR 21 CO 0.30 -1.85 0.99 2.89 -1.34 0.00 0.00 175.55 176.55 1weq n ARG 22 N 8.25 2.51 -3.71 4.97 1.85 -1.26 -4.06 116.66 125.20 1weq n ARG 22 Ca 0.14 -4.11 -0.38 0.00 -1.00 0.00 0.00 57.85 52.49 1weq n ARG 22 Cb 0.49 -1.92 -0.12 0.00 -1.05 0.00 0.00 32.46 29.86 1weq n ARG 22 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1weq s HIS 23 N -3.29 3.27 -0.37 2.89 3.76 -1.21 -4.50 115.29 115.83 1weq s HIS 23 Ca 0.42 -1.36 -0.41 0.00 -0.15 0.00 0.00 55.06 53.56 1weq s HIS 23 Cb 0.39 -2.38 -0.16 0.00 1.11 0.00 0.00 32.58 31.53 1weq s HIS 23 CO -0.11 -0.73 1.89 0.00 -0.85 0.00 0.00 174.74 174.95 1weq n ASP 25 N 6.51 1.52 -4.63 0.00 -0.08 -1.26 -5.03 116.55 113.58 1weq n ASP 25 Ca 0.36 -2.42 -0.29 0.00 -1.51 0.00 0.00 54.79 50.93 1weq n ASP 25 Cb 0.09 -0.25 0.19 0.00 2.34 0.00 0.00 41.12 43.49 1weq n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1weq s ALA 26 N -1.56 0.68 0.07 -1.67 0.00 -1.26 -4.97 121.76 113.04 1weq s ALA 26 Ca 0.15 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 1weq s ALA 26 Cb 0.13 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.97 1weq s ALA 26 CO 0.01 -3.03 1.38 -1.00 0.00 0.00 0.00 175.76 173.12 1weq h PRO 27 N -2.04 0.51 -3.97 0.00 0.13 -1.92 -3.45 132.00 121.26 1weq h PRO 27 Ca -0.55 -0.27 -0.27 0.00 -0.87 0.00 0.00 66.00 64.03 1weq h PRO 27 Cb 1.32 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 1weq h PRO 27 CO 0.55 0.85 -0.74 0.42 -0.23 0.00 0.00 178.00 178.85 1weq s ILE 28 N -4.33 0.18 0.02 -3.56 -1.09 -1.24 -5.14 121.20 106.04 1weq s ILE 28 Ca -0.13 -0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1weq s ILE 28 Cb 0.07 -0.16 -0.03 0.00 -1.58 0.00 0.00 42.46 40.76 1weq s ILE 28 CO 0.79 0.05 -0.17 0.00 -1.23 0.00 0.00 174.94 174.38 1weq n LEU 30 N 1.69 0.00 -4.62 0.00 4.77 -1.26 -4.99 117.00 112.59 1weq n LEU 30 Ca -0.16 -0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.36 1weq n LEU 30 Cb 0.52 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1weq n LEU 30 CO 0.27 0.14 1.66 0.00 -1.33 0.00 0.00 177.39 178.12 1weq n TYR 31 N -2.21 2.15 -0.31 -1.77 9.36 -1.26 -4.82 117.16 118.31 1weq n TYR 31 Ca -0.09 -0.07 0.20 0.00 3.32 0.00 0.00 57.90 61.26 1weq n TYR 31 Cb 0.68 -2.69 0.38 0.00 -0.63 0.00 0.00 39.34 37.08 1weq n TYR 31 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1weq n GLU 32 N 7.63 -0.07 -0.18 2.98 4.07 -1.26 0.19 120.64 134.00 1weq n GLU 32 Ca 0.27 1.33 -0.10 0.00 -0.06 0.00 0.00 57.16 58.60 1weq n GLU 32 Cb 0.35 -2.22 0.01 0.00 -0.06 0.00 0.00 31.44 29.52 1weq n GLU 32 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1weq h GLN 33 N 0.00 0.97 -4.38 5.31 7.50 -2.01 -3.46 115.11 119.04 1weq h GLN 33 Ca 0.64 -0.34 -0.20 0.00 0.50 0.00 0.00 58.65 59.26 1weq h GLN 33 Cb 1.51 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.94 1weq h GLN 33 CO -0.80 1.00 -0.26 0.41 -1.50 0.00 0.00 178.83 177.68 1weq n GLY 34 N -0.32 -0.50 1.58 3.46 0.00 0.50 -4.92 105.19 105.00 1weq n GLY 34 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.84 1.27 -0.68 1.61 1.85 -1.26 -4.97 116.66 111.64 1weq n ARG 35 Ca -0.09 -1.49 -0.06 0.00 -1.00 0.00 0.00 57.85 55.21 1weq n ARG 35 Cb 0.57 0.25 -0.09 0.00 -1.05 0.00 0.00 32.46 32.14 1weq n ARG 35 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1weq n ASP 36 N -1.66 4.49 -4.43 2.89 5.75 -1.26 -4.70 116.55 117.63 1weq n ASP 36 Ca -0.04 -2.28 -0.33 0.00 -0.01 0.00 0.00 54.79 52.13 1weq n ASP 36 Cb 0.27 -1.11 -0.14 0.00 -1.03 0.00 0.00 41.12 39.11 1weq n ASP 36 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1weq s SER 37 N 2.09 4.13 0.14 -1.12 0.01 -1.26 -4.96 113.70 112.73 1weq s SER 37 Ca 0.35 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.25 1weq s SER 37 Cb 0.17 -1.35 0.01 0.00 0.21 0.00 0.00 66.02 65.05 1weq s SER 37 CO 0.00 0.24 0.31 -0.36 0.41 0.00 0.00 173.24 173.84 1weq s PHE 38 N -0.09 0.13 0.52 2.43 0.40 -1.26 -4.90 117.98 115.21 1weq s PHE 38 Ca -0.02 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 55.88 1weq s PHE 38 Cb -0.14 0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.49 1weq s PHE 38 CO 0.04 -0.68 0.50 -1.21 0.70 0.00 0.00 175.22 174.56 1weq s GLU 39 N -3.89 2.34 0.14 0.44 8.01 0.03 -4.87 118.70 120.90 1weq s GLU 39 Ca 0.09 -1.80 0.02 0.00 0.01 0.00 0.00 54.97 53.30 1weq s GLU 39 Cb 0.03 -2.32 -0.08 0.00 -4.31 0.00 0.00 34.13 27.46 1weq s GLU 39 CO -0.06 -0.58 1.33 0.22 0.01 0.00 0.00 175.26 176.18 1weq h ASP 40 N 0.66 0.25 -2.97 -0.19 1.82 -2.00 -3.38 116.42 110.61 1weq h ASP 40 Ca -0.36 -0.22 -0.24 0.00 -0.39 0.00 0.00 57.03 55.82 1weq h ASP 40 Cb 1.29 -0.08 -0.33 0.00 0.68 0.00 0.00 39.33 40.89 1weq h ASP 40 CO 0.53 1.07 -0.56 -1.61 -1.61 0.00 0.00 179.24 177.05 1weq s GLU 41 N -3.06 0.11 0.00 0.28 2.02 -1.26 -5.01 118.70 111.79 1weq s GLU 41 Ca -0.03 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.64 1weq s GLU 41 Cb 0.10 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1weq s GLU 41 CO 0.84 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.24 1weq n GLY 42 N 5.26 2.51 0.36 -1.39 0.00 -1.26 -4.92 105.19 105.75 1weq n GLY 42 Ca -0.07 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.57 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 0.28 -1.59 1.61 0.11 -2.00 -1.21 114.38 111.58 1weq h ARG 43 Ca 0.00 -0.02 -0.24 0.00 0.10 0.00 0.00 59.98 59.82 1weq h ARG 43 Cb 0.00 -0.06 -0.11 0.00 1.11 0.00 0.00 29.97 30.91 1weq h ARG 43 CO 0.00 0.19 0.31 0.91 0.10 0.00 0.00 179.97 181.48 1weq n TRP 44 N -4.45 1.17 -3.51 4.08 5.03 -1.26 -1.59 117.44 116.90 1weq n TRP 44 Ca 0.10 -1.68 -0.37 0.00 3.03 0.00 0.00 57.50 58.57 1weq n TRP 44 Cb 0.43 -0.82 -0.07 0.00 -1.03 0.00 0.00 31.31 29.81 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 -1.37 4.22 -0.16 -0.99 1.70 -0.46 -0.79 118.95 121.09 1weq s ARG 45 Ca 0.23 0.08 -0.31 0.00 -0.47 0.00 0.00 55.73 55.26 1weq s ARG 45 Cb 0.18 -3.47 -0.08 0.00 -0.57 0.00 0.00 34.95 31.01 1weq s ARG 45 CO -0.00 0.14 2.10 -0.11 -1.08 0.00 0.00 175.30 176.35 1weq n LEU 46 N 3.89 3.29 -4.47 -1.89 7.94 -1.26 -3.74 117.00 120.76 1weq n LEU 46 Ca -0.11 0.54 -0.34 0.00 -1.11 0.00 0.00 56.01 54.98 1weq n LEU 46 Cb 0.52 -1.46 -0.12 0.00 0.53 0.00 0.00 43.42 42.88 1weq n LEU 46 CO 0.39 -0.39 -0.34 -0.63 -1.11 0.00 0.00 177.39 175.31 1weq s ILE 47 N 6.51 3.91 -0.09 1.96 1.01 0.48 -4.92 121.20 130.06 1weq s ILE 47 Ca 0.98 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 1weq s ILE 47 Cb -0.52 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1weq s ILE 47 CO 0.42 0.46 0.09 -0.76 0.00 0.00 0.00 174.94 175.16 1weq s LEU 48 N 0.69 4.06 0.81 2.97 1.43 -1.26 -1.71 118.68 125.68 1weq s LEU 48 Ca -0.01 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 1weq s LEU 48 Cb -0.14 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1weq s LEU 48 CO 0.02 0.38 -0.16 0.00 0.23 0.00 0.00 176.35 176.82 1weq n ALA 50 N -2.40 1.39 -0.35 0.00 0.00 -0.06 -3.41 120.51 115.67 1weq n ALA 50 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1weq n ALA 50 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1weq n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1weq n THR 51 N -3.29 0.00 -0.03 0.00 -1.04 -1.26 -4.36 114.28 104.30 1weq n THR 51 Ca -0.45 1.29 -0.14 0.00 -2.04 0.00 0.00 64.05 62.71 1weq n THR 51 Cb 0.99 -2.27 -0.14 0.00 -1.82 0.00 0.00 70.33 67.09 1weq n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1weq n GLY 53 N 1.80 0.10 0.54 0.00 0.00 -1.22 -4.99 105.19 101.43 1weq n GLY 53 Ca -0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.94 1.68 -4.78 1.61 7.64 -1.26 -4.77 113.62 111.80 1weq n SER 54 Ca -0.11 0.01 -0.32 0.00 1.01 0.00 0.00 58.87 59.47 1weq n SER 54 Cb 0.57 -0.06 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.05 2.72 -0.19 1.43 3.76 -1.26 -4.64 115.29 115.06 1weq s HIS 55 Ca -0.04 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 56.34 1weq s HIS 55 Cb 0.01 -3.08 0.09 0.00 1.11 0.00 0.00 32.58 30.71 1weq s HIS 55 CO 0.05 -1.57 0.40 0.20 -0.85 0.00 0.00 174.74 172.98 1weq s GLY 56 N -2.92 -0.34 0.25 -2.22 0.00 -1.26 -2.29 107.32 98.54 1weq s GLY 56 Ca 0.64 1.44 -0.12 0.00 0.00 0.00 0.00 44.72 46.68 1weq s GLY 56 CO 0.45 2.38 0.46 -1.08 0.00 0.00 0.00 173.10 175.31 1weq s THR 57 N 2.60 0.00 1.07 0.90 -1.32 -0.69 -3.06 115.64 115.13 1weq s THR 57 Ca -0.01 -1.45 -0.18 0.00 -1.21 0.00 0.00 61.69 58.85 1weq s THR 57 Cb -0.12 -2.23 0.27 0.00 -1.51 0.00 0.00 72.50 68.91 1weq s THR 57 CO -0.12 0.00 0.62 1.41 -2.21 0.00 0.00 174.62 174.31 1weq n HIS 58 N -0.38 -3.23 -0.05 9.09 -0.00 -1.26 -0.38 115.22 119.00 1weq n HIS 58 Ca -0.01 -0.56 -0.03 0.00 -0.00 0.00 0.00 57.72 57.12 1weq n HIS 58 Cb 0.62 -0.94 -0.01 0.00 -0.00 0.00 0.00 29.99 29.66 1weq n HIS 58 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1weq h ARG 59 N 0.00 0.00 0.00 -0.41 1.12 -1.38 -3.33 114.38 110.38 1weq h ARG 59 Ca -0.28 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.57 1weq h ARG 59 Cb 0.95 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.90 1weq h ARG 59 CO 0.17 0.00 -0.10 0.22 -3.11 0.00 0.00 179.97 177.15 1weq h ASP 60 N -0.69 0.00 -0.33 -3.80 1.82 -1.90 -2.54 116.42 108.98 1weq h ASP 60 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1weq h ASP 60 Cb 0.33 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1weq h ASP 60 CO 0.00 0.10 -0.14 0.00 -1.61 0.00 0.00 179.24 177.60 1weq n SER 62 N -4.15 0.57 -3.78 0.00 2.88 -0.96 -3.72 113.62 104.46 1weq n SER 62 Ca 0.01 -2.01 -0.26 0.00 -1.33 0.00 0.00 58.87 55.28 1weq n SER 62 Cb 0.38 -0.26 0.02 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.23 -2.43 -3.75 -3.46 2.88 -0.84 -4.93 113.62 100.85 1weq n SER 63 Ca 0.00 -0.96 -0.14 0.00 -1.33 0.00 0.00 58.87 56.45 1weq n SER 63 Cb 0.14 -3.47 0.02 0.00 -0.75 0.00 0.00 64.21 60.15 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 -4.26 0.00 -4.91 2.46 4.77 -1.23 -5.08 117.00 108.75 1weq n LEU 64 Ca -0.23 -1.63 -0.24 0.00 -0.03 0.00 0.00 56.01 53.89 1weq n LEU 64 Cb 0.65 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1weq n LEU 64 CO 0.70 -0.55 -0.11 -0.13 -1.33 0.00 0.00 177.39 175.98 1weq s ARG 65 N -3.49 3.29 0.00 3.23 0.52 -1.26 -4.87 118.95 116.37 1weq s ARG 65 Ca 0.28 -0.74 0.15 0.00 -0.52 0.00 0.00 55.73 54.90 1weq s ARG 65 Cb -0.02 -2.85 0.77 0.00 0.52 0.00 0.00 34.95 33.37 1weq s ARG 65 CO 0.18 0.48 1.39 -0.35 0.02 0.00 0.00 175.30 177.02 1weq n PRO 66 N -0.83 0.25 -2.22 3.54 -0.04 -1.26 -2.67 135.00 131.78 1weq n PRO 66 Ca -0.08 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1weq n PRO 66 Cb 0.55 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1weq n PRO 66 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1weq n ASN 67 N -1.24 2.67 -4.74 3.54 5.15 -1.26 -5.07 115.26 114.30 1weq n ASN 67 Ca 0.08 -2.76 -0.38 0.00 -0.60 0.00 0.00 54.58 50.91 1weq n ASN 67 Cb 0.11 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 38.88 1weq n ASN 67 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1weq s SER 68 N -3.49 6.78 -0.02 1.20 0.15 -1.09 -5.01 113.70 112.22 1weq s SER 68 Ca 0.37 0.93 -0.08 0.00 0.70 0.00 0.00 55.95 57.86 1weq s SER 68 Cb 0.36 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 62.32 1weq s SER 68 CO -0.03 0.05 0.53 0.11 1.20 0.00 0.00 173.24 175.10 1weq h LYS 69 N 6.27 -0.29 -4.83 5.44 1.57 -1.97 -3.48 116.57 119.27 1weq h LYS 69 Ca -0.43 0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.09 1weq h LYS 69 Cb 1.19 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 33.41 1weq h LYS 69 CO 0.73 -0.19 -0.71 0.15 -0.57 0.00 0.00 179.45 178.85 1weq s LYS 70 N -2.65 0.87 0.06 3.15 1.02 -1.26 -5.16 119.74 115.77 1weq s LYS 70 Ca -0.04 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 54.75 1weq s LYS 70 Cb 0.00 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1weq s LYS 70 CO 0.13 0.04 -0.21 -0.46 -0.92 0.00 0.00 175.35 173.93 1weq s TRP 71 N -3.08 1.79 0.03 3.18 -0.00 -1.26 -5.00 118.94 114.61 1weq s TRP 71 Ca 0.10 -0.39 0.08 0.00 -0.00 0.00 0.00 56.10 55.89 1weq s TRP 71 Cb 0.01 -1.04 -0.03 0.00 -0.00 0.00 0.00 33.47 32.41 1weq s TRP 71 CO -0.02 0.13 -0.22 -1.21 -0.00 0.00 0.00 176.95 175.63 1weq s GLU 72 N -1.40 1.97 1.36 5.86 2.02 -1.26 -0.89 118.70 126.37 1weq s GLU 72 Ca 0.07 -1.02 -0.20 0.00 0.02 0.00 0.00 54.97 53.83 1weq s GLU 72 Cb -0.09 -2.10 0.34 0.00 0.10 0.00 0.00 34.13 32.38 1weq s GLU 72 CO 0.02 0.53 0.83 0.00 0.02 0.00 0.00 175.26 176.67 1weq h ASN 74 N -3.30 -0.22 -1.72 0.00 -1.24 -1.95 -0.55 115.58 106.59 1weq h ASN 74 Ca -0.45 0.01 0.52 0.00 0.71 0.00 0.00 56.30 57.08 1weq h ASN 74 Cb 1.29 0.06 -0.09 0.00 0.73 0.00 0.00 38.32 40.31 1weq h ASN 74 CO 0.30 -0.09 1.21 -1.84 -1.29 0.00 0.00 177.43 175.72 1weq n GLU 75 N -3.06 -0.01 -0.07 6.67 0.28 -1.26 0.92 120.64 124.12 1weq n GLU 75 Ca -0.03 1.05 -0.15 0.00 -0.16 0.00 0.00 57.16 57.87 1weq n GLU 75 Cb 0.10 -2.34 -0.13 0.00 1.43 0.00 0.00 31.44 30.51 1weq n GLU 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1weq s LEU 77 N -8.15 3.62 -1.00 0.00 1.43 0.26 -4.86 118.68 109.98 1weq s LEU 77 Ca -0.20 2.53 -0.24 0.00 -1.03 0.00 0.00 54.13 55.20 1weq s LEU 77 Cb -0.02 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.54 1weq s LEU 77 CO 0.69 -1.82 1.94 -2.16 0.23 0.00 0.00 176.35 175.23 1weq s PRO 78 N -3.34 2.53 -0.46 1.29 0.04 -1.26 -4.89 135.00 128.91 1weq s PRO 78 Ca 0.80 -0.60 -0.15 0.00 0.04 0.00 0.00 61.00 61.09 1weq s PRO 78 Cb -0.35 -5.13 0.07 0.00 0.04 0.00 0.00 34.50 29.13 1weq s PRO 78 CO 0.37 -3.59 0.38 0.00 0.04 0.00 0.00 177.00 174.20 1weq s ALA 79 N 10.42 3.55 -0.33 8.56 0.00 -1.26 -5.02 121.76 137.68 1weq s ALA 79 Ca 0.69 -2.06 -0.32 0.00 0.00 0.00 0.00 51.96 50.28 1weq s ALA 79 Cb -0.05 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1weq s ALA 79 CO 0.04 -1.70 2.24 0.43 0.00 0.00 0.00 175.76 176.77 1weq n SER 80 N 5.20 2.49 0.00 0.00 7.64 -1.26 -4.57 113.62 123.12 1weq n SER 80 Ca -0.12 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1weq n SER 80 Cb 0.44 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1weq n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1weq n GLY 81 N 6.24 -1.94 3.77 0.23 0.00 -1.26 -4.95 105.19 107.27 1weq n GLY 81 Ca 0.38 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.06 4.04 0.26 1.61 0.04 -1.26 -4.92 135.00 131.70 1weq s PRO 82 Ca 0.00 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1weq s PRO 82 Cb 0.00 -2.69 0.36 0.00 0.04 0.00 0.00 34.50 32.22 1weq s PRO 82 CO 0.00 -0.35 1.54 0.45 0.04 0.00 0.00 177.00 178.68 1weq n SER 83 N 0.08 -0.48 -4.56 6.66 2.88 -1.26 -3.36 113.62 113.58 1weq n SER 83 Ca 0.04 1.71 -0.31 0.00 -1.33 0.00 0.00 58.87 58.98 1weq n SER 83 Cb 0.46 -0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1weq n SER 83 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1weq s SER 84 N -5.30 5.56 0.00 -3.46 0.01 -1.26 -5.23 113.70 104.03 1weq s SER 84 Ca -0.14 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1weq s SER 84 Cb 0.24 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1weq s SER 84 CO 0.74 -2.37 0.33 0.61 0.41 0.00 0.00 173.24 172.96