#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 0.73 -0.13 1.61 1.04 -1.26 -5.15 113.70 110.54 1weq s SER 2 Ca 0.00 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1weq s SER 2 Cb 0.00 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1weq s SER 2 CO 0.00 -0.57 -0.14 -0.55 0.98 0.00 0.00 173.24 172.96 1weq s SER 3 N -2.99 3.93 0.00 7.02 0.15 -1.26 -5.12 113.70 115.43 1weq s SER 3 Ca 0.12 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1weq s SER 3 Cb 0.07 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1weq s SER 3 CO -0.06 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1weq n GLY 4 N 3.57 1.89 2.70 9.45 0.00 -1.26 -5.12 105.19 116.42 1weq n GLY 4 Ca -0.18 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 1weq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weq s SER 5 N -1.00 1.68 0.74 1.61 1.04 -1.26 -5.15 113.70 111.37 1weq s SER 5 Ca 0.00 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 1weq s SER 5 Cb 0.00 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.31 1weq s SER 5 CO 0.00 -0.33 1.11 -0.55 0.98 0.00 0.00 173.24 174.45 1weq s SER 6 N 2.26 5.02 1.26 7.02 0.15 -1.26 -5.05 113.70 123.10 1weq s SER 6 Ca 0.05 0.91 -0.18 0.00 0.70 0.00 0.00 55.95 57.43 1weq s SER 6 Cb -0.16 -1.59 0.28 0.00 -1.71 0.00 0.00 66.02 62.85 1weq s SER 6 CO -0.10 -1.57 0.63 0.61 1.20 0.00 0.00 173.24 174.00 1weq n GLY 7 N -3.10 -3.32 3.42 9.45 0.00 -1.26 -5.07 105.19 105.32 1weq n GLY 7 Ca 0.07 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1weq n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1weq s GLU 8 N -4.29 1.57 0.17 1.61 1.03 -1.26 -5.17 118.70 112.37 1weq s GLU 8 Ca 0.48 -1.57 -0.03 0.00 0.03 0.00 0.00 54.97 53.88 1weq s GLU 8 Cb -0.09 0.39 -0.05 0.00 -0.80 0.00 0.00 34.13 33.59 1weq s GLU 8 CO 0.41 -0.62 0.39 -0.48 -1.33 0.00 0.00 175.26 173.63 1weq s LEU 9 N -3.15 4.24 -0.09 1.83 0.05 -1.26 -5.10 118.68 115.19 1weq s LEU 9 Ca 0.31 0.53 -0.01 0.00 0.05 0.00 0.00 54.13 55.00 1weq s LEU 9 Cb 0.02 -3.27 -0.03 0.00 -2.05 0.00 0.00 46.19 40.85 1weq s LEU 9 CO 0.15 0.00 -0.03 -1.83 -0.55 0.00 0.00 176.35 174.09 1weq s GLU 10 N -2.96 3.04 1.11 1.48 -1.05 -1.26 -5.12 118.70 113.94 1weq s GLU 10 Ca 0.40 -0.47 -0.16 0.00 -0.15 0.00 0.00 54.97 54.59 1weq s GLU 10 Cb -0.12 -2.75 0.24 0.00 -0.44 0.00 0.00 34.13 31.06 1weq s GLU 10 CO 0.27 0.60 1.10 -1.25 0.95 0.00 0.00 175.26 176.93 1weq s PRO 11 N -0.63 -0.45 -1.28 -4.83 0.04 -1.26 -3.88 135.00 122.72 1weq s PRO 11 Ca 0.10 0.21 -0.07 0.00 0.04 0.00 0.00 61.00 61.28 1weq s PRO 11 Cb -0.12 -1.66 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1weq s PRO 11 CO 0.02 -3.25 0.18 0.41 0.04 0.00 0.00 177.00 174.40 1weq n GLY 12 N -1.01 -0.18 2.06 0.56 0.00 -1.26 -4.78 105.19 100.58 1weq n GLY 12 Ca 0.09 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1weq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weq n ALA 13 N -3.52 5.43 -2.89 4.61 0.00 -1.25 -4.99 120.51 117.90 1weq n ALA 13 Ca -0.11 -3.63 -0.12 0.00 0.00 0.00 0.00 53.44 49.58 1weq n ALA 13 Cb 0.46 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.93 1weq n ALA 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1weq s PHE 14 N -3.65 0.40 1.06 0.00 0.08 -1.26 -5.10 117.98 109.50 1weq s PHE 14 Ca 0.55 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 57.02 1weq s PHE 14 Cb 0.44 -0.25 -0.02 0.00 -0.57 0.00 0.00 43.02 42.62 1weq s PHE 14 CO 0.02 -0.10 -0.50 0.45 -0.10 0.00 0.00 175.22 174.99 1weq n SER 15 N 1.98 -2.82 -4.64 1.36 2.88 -1.26 -4.95 113.62 106.17 1weq n SER 15 Ca -0.20 -0.02 -0.29 0.00 -1.33 0.00 0.00 58.87 57.04 1weq n SER 15 Cb 0.56 -0.83 0.16 0.00 -0.75 0.00 0.00 64.21 63.36 1weq n SER 15 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1weq s GLU 16 N -2.91 0.58 -0.06 -1.46 1.03 -1.26 -4.99 118.70 109.63 1weq s GLU 16 Ca 0.49 0.32 0.14 0.00 0.03 0.00 0.00 54.97 55.95 1weq s GLU 16 Cb -0.06 -1.77 -0.23 0.00 -0.80 0.00 0.00 34.13 31.27 1weq s GLU 16 CO 0.68 -2.58 0.58 1.28 -1.33 0.00 0.00 175.26 173.89 1weq n LEU 17 N -4.04 0.73 -1.97 1.83 4.77 -1.26 -4.96 117.00 112.10 1weq n LEU 17 Ca 0.07 0.35 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1weq n LEU 17 Cb 0.58 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.85 1weq n LEU 17 CO 0.56 0.38 -0.20 0.00 -1.33 0.00 0.00 177.39 176.80 1weq n TYR 18 N -2.98 -0.65 -3.71 -1.77 9.36 -1.26 -4.92 117.16 111.22 1weq n TYR 18 Ca -0.19 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 60.94 1weq n TYR 18 Cb 1.05 -3.35 -0.04 0.00 -0.63 0.00 0.00 39.34 36.37 1weq n TYR 18 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1weq s GLN 19 N -4.29 1.36 0.06 2.98 -2.07 -1.26 -5.13 119.66 111.31 1weq s GLN 19 Ca 0.00 -0.83 -0.31 0.00 -1.82 0.00 0.00 55.36 52.40 1weq s GLN 19 Cb 0.00 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 32.36 1weq s GLN 19 CO 0.00 -0.58 1.64 0.50 -1.32 0.00 0.00 175.29 175.53 1weq s ARG 20 N -3.86 4.20 -0.29 9.60 3.52 -1.26 -4.95 118.95 125.90 1weq s ARG 20 Ca 0.08 2.31 -0.27 0.00 -0.13 0.00 0.00 55.73 57.72 1weq s ARG 20 Cb -0.01 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.77 1weq s ARG 20 CO -0.04 -0.73 0.96 -0.47 -0.81 0.00 0.00 175.30 174.21 1weq s TYR 21 N 2.72 3.22 -0.38 5.12 6.14 -1.26 -4.99 117.35 127.92 1weq s TYR 21 Ca 0.73 1.14 0.01 0.00 0.64 0.00 0.00 57.07 59.59 1weq s TYR 21 Cb -0.39 -3.41 0.13 0.00 0.42 0.00 0.00 41.96 38.71 1weq s TYR 21 CO 0.32 -0.62 0.19 -0.98 0.64 0.00 0.00 175.55 175.10 1weq s ARG 22 N 3.29 0.90 -0.26 4.97 1.70 -1.26 -4.49 118.95 123.79 1weq s ARG 22 Ca 0.40 -1.52 -0.01 0.00 -0.47 0.00 0.00 55.73 54.13 1weq s ARG 22 Cb -0.14 -1.94 0.15 0.00 -0.57 0.00 0.00 34.95 32.46 1weq s ARG 22 CO 0.12 -1.12 0.42 -1.58 -1.08 0.00 0.00 175.30 172.06 1weq s HIS 23 N 0.95 -0.99 -0.47 5.89 2.46 -1.19 -4.73 115.29 117.21 1weq s HIS 23 Ca 0.15 0.80 -0.37 0.00 0.47 0.00 0.00 55.06 56.11 1weq s HIS 23 Cb -0.22 0.04 -0.14 0.00 -0.13 0.00 0.00 32.58 32.13 1weq s HIS 23 CO -0.08 -0.82 2.24 0.00 -2.47 0.00 0.00 174.74 173.61 1weq n ASP 25 N 9.54 3.90 -4.97 0.00 2.03 -1.19 -4.98 116.55 120.88 1weq n ASP 25 Ca 0.48 -3.70 -0.22 0.00 0.52 0.00 0.00 54.79 51.87 1weq n ASP 25 Cb 0.15 -0.39 0.03 0.00 -0.72 0.00 0.00 41.12 40.18 1weq n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1weq s ALA 26 N -3.46 3.85 -0.02 -1.67 0.00 -1.26 -4.92 121.76 114.27 1weq s ALA 26 Ca 0.46 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 1weq s ALA 26 Cb 0.40 -2.11 -0.20 0.00 0.00 0.00 0.00 23.12 21.21 1weq s ALA 26 CO 0.01 -0.70 1.26 -1.00 0.00 0.00 0.00 175.76 175.32 1weq h PRO 27 N 0.11 -0.01 -4.83 0.00 0.13 -1.94 -3.45 132.00 122.01 1weq h PRO 27 Ca -0.43 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.27 1weq h PRO 27 Cb 1.29 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.12 1weq h PRO 27 CO 0.53 0.47 -0.79 0.42 -0.23 0.00 0.00 178.00 178.40 1weq s ILE 28 N -4.24 0.86 0.08 -3.56 -1.09 -1.23 -5.13 121.20 106.89 1weq s ILE 28 Ca -0.16 -0.44 0.06 0.00 -2.23 0.00 0.00 60.65 57.88 1weq s ILE 28 Cb 0.02 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.12 1weq s ILE 28 CO 0.67 0.25 -0.08 0.00 -1.23 0.00 0.00 174.94 174.55 1weq n LEU 30 N 0.83 2.42 -4.52 0.00 4.77 -1.26 -5.00 117.00 114.24 1weq n LEU 30 Ca -0.13 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.36 1weq n LEU 30 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1weq n LEU 30 CO 0.34 0.40 1.77 0.00 -1.33 0.00 0.00 177.39 178.57 1weq n TYR 31 N -2.39 1.78 -0.23 -1.77 9.36 -1.26 -4.79 117.16 117.86 1weq n TYR 31 Ca 0.00 0.15 0.09 0.00 3.32 0.00 0.00 57.90 61.46 1weq n TYR 31 Cb 0.49 -2.59 0.17 0.00 -0.63 0.00 0.00 39.34 36.78 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 8.09 -0.05 0.15 2.98 4.07 -1.26 0.30 120.64 134.92 1weq n GLU 32 Ca 0.36 1.01 -0.14 0.00 -0.06 0.00 0.00 57.16 58.33 1weq n GLU 32 Cb 0.29 -1.58 -0.08 0.00 -0.06 0.00 0.00 31.44 30.01 1weq n GLU 32 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1weq h GLN 33 N 0.00 -0.66 0.00 5.31 5.75 -1.97 -3.45 115.11 120.09 1weq h GLN 33 Ca 0.39 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.93 1weq h GLN 33 Cb 0.76 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1weq h GLN 33 CO -0.64 -0.44 0.00 0.41 -2.65 0.00 0.00 178.83 175.51 1weq n GLY 34 N -1.41 1.99 1.12 2.39 0.00 0.15 -4.99 105.19 104.44 1weq n GLY 34 Ca -0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -1.32 -0.59 1.61 1.85 -1.26 -4.71 116.66 112.24 1weq n ARG 35 Ca 0.00 -0.35 -0.02 0.00 -1.00 0.00 0.00 57.85 56.48 1weq n ARG 35 Cb 0.00 -0.59 -0.03 0.00 -1.05 0.00 0.00 32.46 30.79 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 -2.26 5.34 -4.53 2.89 5.68 -1.26 -4.71 116.55 117.70 1weq n ASP 36 Ca 0.03 -2.42 -0.41 0.00 -0.50 0.00 0.00 54.79 51.49 1weq n ASP 36 Cb 0.15 -1.18 -0.09 0.00 -1.14 0.00 0.00 41.12 38.86 1weq n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1weq s SER 37 N 1.99 6.18 0.29 -1.12 0.15 -1.26 -4.91 113.70 115.03 1weq s SER 37 Ca 0.11 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1weq s SER 37 Cb 0.05 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.10 1weq s SER 37 CO -0.00 -0.39 0.06 -0.36 1.20 0.00 0.00 173.24 173.75 1weq s PHE 38 N 2.04 1.77 0.41 3.44 0.40 -1.26 -4.91 117.98 119.86 1weq s PHE 38 Ca 0.12 -1.03 0.08 0.00 -0.60 0.00 0.00 56.93 55.50 1weq s PHE 38 Cb -0.17 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 1weq s PHE 38 CO 0.12 -0.11 0.32 -1.83 0.70 0.00 0.00 175.22 174.42 1weq s GLU 39 N -3.93 2.46 0.23 0.44 -1.05 0.88 -4.93 118.70 112.81 1weq s GLU 39 Ca 0.36 -1.60 -0.06 0.00 -0.15 0.00 0.00 54.97 53.52 1weq s GLU 39 Cb 0.08 -2.28 0.31 0.00 -0.44 0.00 0.00 34.13 31.80 1weq s GLU 39 CO 0.14 -0.15 1.84 0.22 0.95 0.00 0.00 175.26 178.26 1weq h ASP 40 N 1.15 0.78 -4.48 0.83 1.82 -2.02 -3.40 116.42 111.10 1weq h ASP 40 Ca -0.42 0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.12 1weq h ASP 40 Cb 1.26 -0.14 -0.22 0.00 0.68 0.00 0.00 39.33 40.91 1weq h ASP 40 CO 0.61 0.50 -0.26 -1.61 -1.61 0.00 0.00 179.24 176.86 1weq s GLU 41 N -6.07 0.58 0.00 0.28 2.02 -1.26 -4.97 118.70 109.27 1weq s GLU 41 Ca -0.13 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1weq s GLU 41 Cb 0.18 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1weq s GLU 41 CO 0.78 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1weq n GLY 42 N 1.99 2.93 0.38 -1.39 0.00 -1.26 -4.82 105.19 103.01 1weq n GLY 42 Ca -0.18 -1.96 0.28 0.00 0.00 0.00 0.00 46.02 44.17 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 0.24 -1.87 1.61 0.11 -2.01 0.23 114.38 112.68 1weq h ARG 43 Ca 0.00 -0.01 -0.28 0.00 0.10 0.00 0.00 59.98 59.79 1weq h ARG 43 Cb 0.00 -0.05 -0.10 0.00 1.11 0.00 0.00 29.97 30.92 1weq h ARG 43 CO 0.00 0.16 0.12 0.91 0.10 0.00 0.00 179.97 181.26 1weq n TRP 44 N -4.92 0.86 -4.03 4.08 5.03 -1.26 -1.78 117.44 115.42 1weq n TRP 44 Ca 0.33 -1.65 -0.35 0.00 3.03 0.00 0.00 57.50 58.86 1weq n TRP 44 Cb 1.11 -1.16 -0.11 0.00 -1.03 0.00 0.00 31.31 30.13 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 -0.71 3.88 -0.30 -0.99 1.70 0.80 -0.08 118.95 123.25 1weq s ARG 45 Ca 0.42 -0.39 -0.28 0.00 -0.47 0.00 0.00 55.73 55.02 1weq s ARG 45 Cb 0.26 -3.19 -0.05 0.00 -0.57 0.00 0.00 34.95 31.40 1weq s ARG 45 CO -0.06 0.19 2.16 -1.17 -1.08 0.00 0.00 175.30 175.34 1weq s LEU 46 N 0.57 3.44 -0.25 -1.89 0.20 -1.26 -3.54 118.68 115.95 1weq s LEU 46 Ca 0.02 1.59 -0.11 0.00 0.69 0.00 0.00 54.13 56.32 1weq s LEU 46 Cb -0.13 -3.31 -0.05 0.00 -0.43 0.00 0.00 46.19 42.27 1weq s LEU 46 CO 0.01 -2.09 0.20 -0.63 -0.29 0.00 0.00 176.35 173.56 1weq s ILE 47 N 8.74 5.32 -0.16 6.68 1.01 0.16 -4.91 121.20 138.04 1weq s ILE 47 Ca 0.95 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 1weq s ILE 47 Cb -0.28 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1weq s ILE 47 CO 0.33 0.30 0.19 -0.76 0.00 0.00 0.00 174.94 175.01 1weq s LEU 48 N 1.31 4.27 0.99 2.97 1.43 -1.26 -2.56 118.68 125.82 1weq s LEU 48 Ca 0.09 0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 1weq s LEU 48 Cb -0.14 -2.19 -0.12 0.00 0.03 0.00 0.00 46.19 43.76 1weq s LEU 48 CO 0.07 0.22 -0.60 0.00 0.23 0.00 0.00 176.35 176.26 1weq n ALA 50 N -2.67 1.67 -0.21 0.00 0.00 -1.12 -3.17 120.51 115.01 1weq n ALA 50 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 53.44 52.75 1weq n ALA 50 Cb 0.56 0.20 0.10 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.69 0.45 0.00 0.00 2.02 -1.93 -3.34 112.91 109.42 1weq h THR 51 Ca -0.32 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1weq h THR 51 Cb 1.17 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1weq h THR 51 CO -0.19 0.02 -1.32 0.00 0.37 0.00 0.00 175.52 174.39 1weq n GLY 53 N 2.87 0.39 0.03 0.00 0.00 -1.19 -4.99 105.19 102.31 1weq n GLY 53 Ca -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 1weq n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1weq n SER 54 N -0.86 3.55 -4.90 1.61 3.41 -1.26 -4.78 113.62 110.39 1weq n SER 54 Ca -0.04 -0.03 -0.29 0.00 -0.26 0.00 0.00 58.87 58.25 1weq n SER 54 Cb 0.53 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 1weq n SER 54 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1weq s HIS 55 N -2.12 3.12 -0.28 7.33 3.76 -1.26 -4.73 115.29 121.11 1weq s HIS 55 Ca -0.08 0.85 -0.10 0.00 -0.15 0.00 0.00 55.06 55.58 1weq s HIS 55 Cb 0.02 -3.25 0.12 0.00 1.11 0.00 0.00 32.58 30.57 1weq s HIS 55 CO 0.15 -1.44 0.62 0.20 -0.85 0.00 0.00 174.74 173.42 1weq s GLY 56 N -4.47 -0.66 0.24 -2.22 0.00 -1.26 -3.15 107.32 95.81 1weq s GLY 56 Ca 0.60 2.23 -0.12 0.00 0.00 0.00 0.00 44.72 47.43 1weq s GLY 56 CO 0.50 2.85 0.46 -1.08 0.00 0.00 0.00 173.10 175.82 1weq s THR 57 N 2.63 0.00 1.12 0.90 -1.32 -1.06 -2.39 115.64 115.52 1weq s THR 57 Ca -0.06 -1.43 -0.14 0.00 -1.21 0.00 0.00 61.69 58.84 1weq s THR 57 Cb -0.11 -2.20 0.25 0.00 -1.51 0.00 0.00 72.50 68.93 1weq s THR 57 CO -0.18 -0.01 1.06 -1.00 -2.21 0.00 0.00 174.62 172.28 1weq s HIS 58 N -4.02 1.44 -0.00 9.09 0.09 -1.26 -0.66 115.29 119.96 1weq s HIS 58 Ca 0.23 0.92 -0.01 0.00 -0.00 0.00 0.00 55.06 56.20 1weq s HIS 58 Cb -0.00 -3.22 -0.00 0.00 -0.00 0.00 0.00 32.58 29.35 1weq s HIS 58 CO 0.09 -3.52 0.27 -0.09 -0.00 0.00 0.00 174.74 171.49 1weq h ARG 59 N -2.35 -0.03 -0.95 1.40 1.12 -1.39 -3.20 114.38 108.98 1weq h ARG 59 Ca -0.55 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.36 1weq h ARG 59 Cb 1.33 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 31.24 1weq h ARG 59 CO 0.50 -0.02 0.62 0.38 -3.11 0.00 0.00 179.97 178.35 1weq h ASP 60 N -0.08 1.02 -0.98 -3.80 3.04 -1.89 -2.00 116.42 111.72 1weq h ASP 60 Ca -0.00 -0.01 0.22 0.00 -3.24 0.00 0.00 57.03 54.00 1weq h ASP 60 Cb 0.02 -0.23 -0.12 0.00 -1.04 0.00 0.00 39.33 37.96 1weq h ASP 60 CO 0.00 0.69 0.57 0.00 -2.04 0.00 0.00 179.24 178.47 1weq n SER 62 N -4.86 3.36 -3.85 0.00 2.88 -0.76 -3.55 113.62 106.84 1weq n SER 62 Ca 0.25 -2.40 -0.24 0.00 -1.33 0.00 0.00 58.87 55.15 1weq n SER 62 Cb 0.67 -0.61 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.18 0.43 -4.70 -3.46 2.88 0.15 -4.89 113.62 104.20 1weq n SER 63 Ca 0.14 -0.96 -0.23 0.00 -1.33 0.00 0.00 58.87 56.49 1weq n SER 63 Cb 0.76 -1.19 0.10 0.00 -0.75 0.00 0.00 64.21 63.13 1weq n SER 63 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1weq s LEU 64 N -6.20 2.98 0.21 2.46 1.43 -1.21 -5.07 118.68 113.29 1weq s LEU 64 Ca 0.09 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1weq s LEU 64 Cb -0.05 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1weq s LEU 64 CO 0.75 -1.83 0.21 -0.13 0.23 0.00 0.00 176.35 175.59 1weq s ARG 65 N -5.10 3.05 0.00 1.70 0.52 -1.26 -4.84 118.95 113.01 1weq s ARG 65 Ca 0.66 -0.91 0.15 0.00 -0.52 0.00 0.00 55.73 55.11 1weq s ARG 65 Cb -0.05 -2.68 0.81 0.00 0.52 0.00 0.00 34.95 33.55 1weq s ARG 65 CO 0.44 0.44 1.38 -0.35 0.02 0.00 0.00 175.30 177.23 1weq n PRO 66 N -0.91 0.30 -0.07 3.54 -0.04 -1.26 -2.82 135.00 133.74 1weq n PRO 66 Ca -0.08 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1weq n PRO 66 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1weq n PRO 66 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1weq n ASN 67 N -1.19 2.63 -4.67 3.54 6.94 -1.26 -4.99 115.26 116.26 1weq n ASN 67 Ca 0.09 -0.05 -0.56 0.00 -0.02 0.00 0.00 54.58 54.03 1weq n ASN 67 Cb 0.10 0.08 -0.07 0.00 -2.36 0.00 0.00 39.78 37.53 1weq n ASN 67 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1weq n SER 68 N -2.78 2.08 -0.07 0.53 2.88 -1.13 -4.87 113.62 110.27 1weq n SER 68 Ca -0.24 1.09 -0.22 0.00 -1.33 0.00 0.00 58.87 58.18 1weq n SER 68 Cb 0.81 -1.14 -0.12 0.00 -0.75 0.00 0.00 64.21 63.00 1weq n SER 68 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1weq n LYS 69 N 4.39 0.68 -4.76 -1.46 4.81 -1.26 -4.86 118.16 115.69 1weq n LYS 69 Ca 0.24 0.28 -0.33 0.00 -0.87 0.00 0.00 58.31 57.63 1weq n LYS 69 Cb 0.14 -1.63 -0.12 0.00 0.02 0.00 0.00 35.03 33.44 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 2.52 0.02 1.64 -2.85 -1.26 -5.10 119.74 112.21 1weq s LYS 70 Ca -0.29 -0.69 0.07 0.00 -1.00 0.00 0.00 55.97 54.05 1weq s LYS 70 Cb 0.08 -2.42 -0.02 0.00 -2.06 0.00 0.00 37.83 33.41 1weq s LYS 70 CO 0.66 0.62 -0.20 -0.46 0.10 0.00 0.00 175.35 176.07 1weq s TRP 71 N -0.80 1.75 0.03 1.78 -0.00 -1.26 -5.04 118.94 115.40 1weq s TRP 71 Ca 0.13 -0.36 0.03 0.00 -0.00 0.00 0.00 56.10 55.90 1weq s TRP 71 Cb -0.11 -1.07 -0.04 0.00 -0.00 0.00 0.00 33.47 32.26 1weq s TRP 71 CO 0.02 0.05 -0.01 -1.21 -0.00 0.00 0.00 176.95 175.80 1weq s GLU 72 N -0.93 2.68 0.83 5.86 2.02 -1.26 -2.79 118.70 125.12 1weq s GLU 72 Ca 0.07 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 1weq s GLU 72 Cb -0.08 -2.61 0.10 0.00 0.10 0.00 0.00 34.13 31.64 1weq s GLU 72 CO 0.01 0.60 1.20 0.00 0.02 0.00 0.00 175.26 177.08 1weq h ASN 74 N -1.14 -0.43 -0.93 0.00 -1.24 -1.92 0.11 115.58 110.02 1weq h ASN 74 Ca -0.45 0.03 0.27 0.00 0.71 0.00 0.00 56.30 56.86 1weq h ASN 74 Cb 1.31 0.13 -0.15 0.00 0.73 0.00 0.00 38.32 40.34 1weq h ASN 74 CO 0.59 -0.28 0.31 -0.33 -1.29 0.00 0.00 177.43 176.43 1weq h GLU 75 N -0.43 0.18 0.16 6.67 4.39 -1.94 -1.66 114.58 121.95 1weq h GLU 75 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1weq h GLU 75 Cb 0.36 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1weq h GLU 75 CO 0.02 0.12 -0.08 0.00 -1.16 0.00 0.00 179.01 177.92 1weq n LEU 77 N -4.90 -4.16 0.00 0.00 4.77 0.34 -4.71 117.00 108.34 1weq n LEU 77 Ca -0.06 0.33 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1weq n LEU 77 Cb 0.23 -0.67 0.18 0.00 -2.33 0.00 0.00 43.42 40.83 1weq n LEU 77 CO 0.19 -4.58 0.41 -0.81 -1.33 0.00 0.00 177.39 171.28 1weq n PRO 78 N 1.71 0.49 -3.11 3.23 -0.04 -1.26 -4.37 135.00 131.65 1weq n PRO 78 Ca 0.02 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.04 1weq n PRO 78 Cb 0.43 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1weq n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1weq s ALA 79 N -2.00 4.27 0.11 0.55 0.00 -1.26 -4.94 121.76 118.49 1weq s ALA 79 Ca 0.09 -3.53 -0.25 0.00 0.00 0.00 0.00 51.96 48.27 1weq s ALA 79 Cb 0.04 -3.90 0.08 0.00 0.00 0.00 0.00 23.12 19.34 1weq s ALA 79 CO 0.07 -2.55 0.68 -1.12 0.00 0.00 0.00 175.76 172.84 1weq s SER 80 N 2.26 -0.52 0.16 0.00 0.01 -1.26 -4.81 113.70 109.54 1weq s SER 80 Ca 0.37 0.02 -0.24 0.00 1.31 0.00 0.00 55.95 57.41 1weq s SER 80 Cb -0.06 0.54 0.06 0.00 0.21 0.00 0.00 66.02 66.77 1weq s SER 80 CO -0.04 -0.87 0.80 -0.83 0.41 0.00 0.00 173.24 172.71 1weq s GLY 81 N -2.63 -0.32 0.11 3.44 0.00 -1.26 -5.06 107.32 101.59 1weq s GLY 81 Ca 0.02 0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.84 1weq s GLY 81 CO -0.11 0.07 1.43 -0.56 0.00 0.00 0.00 173.10 173.93 1weq h PRO 82 N 2.00 0.73 -1.69 2.90 0.13 -2.05 -3.19 132.00 130.84 1weq h PRO 82 Ca -0.24 -0.38 -0.37 0.00 -0.87 0.00 0.00 66.00 64.13 1weq h PRO 82 Cb 1.26 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 1weq h PRO 82 CO 0.29 1.00 0.38 -1.13 -0.23 0.00 0.00 178.00 178.31 1weq n SER 83 N -4.24 6.42 -0.34 1.44 3.41 -1.26 -4.68 113.62 114.37 1weq n SER 83 Ca -0.04 -3.08 0.18 0.00 -0.26 0.00 0.00 58.87 55.68 1weq n SER 83 Cb 0.48 -1.12 0.35 0.00 -0.26 0.00 0.00 64.21 63.66 1weq n SER 83 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1weq n SER 84 N 0.59 -0.02 0.00 4.04 3.41 -1.21 -5.25 113.62 115.19 1weq n SER 84 Ca 0.36 1.69 0.00 0.00 -0.26 0.00 0.00 58.87 60.66 1weq n SER 84 Cb 0.58 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1weq n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49