#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 -0.39 0.27 1.61 1.04 -1.26 -5.19 113.70 109.79 1weq s SER 2 Ca 0.00 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 55.92 1weq s SER 2 Cb 0.00 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1weq s SER 2 CO 0.00 -1.09 0.67 -0.94 0.98 0.00 0.00 173.24 172.86 1weq s SER 3 N -2.83 -0.24 0.00 7.02 1.04 -1.26 -5.18 113.70 112.24 1weq s SER 3 Ca 0.06 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1weq s SER 3 Cb -0.02 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1weq s SER 3 CO -0.05 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.49 1weq n GLY 4 N -0.44 4.31 3.63 7.32 0.00 -1.26 -5.18 105.19 113.57 1weq n GLY 4 Ca -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 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 0.48 -0.18 0.06 1.61 0.15 -1.26 -5.19 113.70 109.37 1weq s SER 5 Ca 0.00 -0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.22 1weq s SER 5 Cb 0.00 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 1weq s SER 5 CO 0.00 -0.54 0.73 -0.94 1.20 0.00 0.00 173.24 173.68 1weq s SER 6 N -2.71 -0.50 0.66 5.45 1.04 -1.26 -5.17 113.70 111.21 1weq s SER 6 Ca 0.11 0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 1weq s SER 6 Cb 0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1weq s SER 6 CO -0.03 -0.77 1.04 -0.83 0.98 0.00 0.00 173.24 173.63 1weq s GLY 7 N -2.34 1.63 -0.00 7.32 0.00 -1.26 -5.08 107.32 107.59 1weq s GLY 7 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1weq s GLY 7 CO -0.08 -0.02 -0.11 -0.54 0.00 0.00 0.00 173.10 172.35 1weq s GLU 8 N -5.25 2.43 0.79 2.90 0.41 -1.26 -5.10 118.70 113.62 1weq s GLU 8 Ca 0.56 -0.77 -0.15 0.00 -0.41 0.00 0.00 54.97 54.20 1weq s GLU 8 Cb -0.11 -2.40 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 1weq s GLU 8 CO 0.51 0.59 0.40 1.28 -0.49 0.00 0.00 175.26 177.55 1weq n LEU 9 N 1.74 0.01 -4.64 1.80 4.32 -1.26 -4.87 117.00 114.10 1weq n LEU 9 Ca -0.16 0.51 -0.43 0.00 -0.02 0.00 0.00 56.01 55.91 1weq n LEU 9 Cb 0.52 -1.17 -0.02 0.00 -1.62 0.00 0.00 43.42 41.13 1weq n LEU 9 CO 0.28 -3.47 1.06 -1.61 -1.22 0.00 0.00 177.39 172.43 1weq s GLU 10 N -2.86 4.04 0.13 3.23 0.41 -1.26 -4.92 118.70 117.48 1weq s GLU 10 Ca 0.62 1.29 -0.12 0.00 -0.41 0.00 0.00 54.97 56.35 1weq s GLU 10 Cb -0.31 -3.80 -0.05 0.00 -1.78 0.00 0.00 34.13 28.19 1weq s GLU 10 CO 0.62 -0.94 1.46 -1.00 -0.49 0.00 0.00 175.26 174.91 1weq h PRO 11 N 8.62 0.90 -2.05 0.39 0.13 -2.05 -3.26 132.00 134.67 1weq h PRO 11 Ca -0.24 -0.47 -0.15 0.00 -0.87 0.00 0.00 66.00 64.26 1weq h PRO 11 Cb 1.09 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1weq h PRO 11 CO 1.02 1.12 -0.29 0.41 -0.23 0.00 0.00 178.00 180.03 1weq n GLY 12 N 0.14 2.81 1.65 1.56 0.00 -1.26 -4.24 105.19 105.85 1weq n GLY 12 Ca -0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 2.39 4.82 -3.60 4.61 0.00 -1.23 -4.98 120.51 122.51 1weq n ALA 13 Ca 0.35 -3.55 -0.23 0.00 0.00 0.00 0.00 53.44 50.01 1weq n ALA 13 Cb 0.81 -0.59 -0.17 0.00 0.00 0.00 0.00 19.45 19.51 1weq n ALA 13 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1weq s PHE 14 N -3.50 1.18 0.04 0.00 2.19 -1.26 -5.14 117.98 111.48 1weq s PHE 14 Ca 0.49 -0.44 -0.03 0.00 0.33 0.00 0.00 56.93 57.29 1weq s PHE 14 Cb 0.42 -0.94 -0.02 0.00 -1.31 0.00 0.00 43.02 41.16 1weq s PHE 14 CO 0.01 -0.29 0.03 -1.54 1.83 0.00 0.00 175.22 175.26 1weq s SER 15 N 0.98 0.28 0.96 6.13 1.04 -1.26 -5.16 113.70 116.68 1weq s SER 15 Ca -0.09 -0.66 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 1weq s SER 15 Cb -0.15 0.19 0.17 0.00 0.10 0.00 0.00 66.02 66.33 1weq s SER 15 CO 0.00 -0.49 1.13 -1.83 0.98 0.00 0.00 173.24 173.04 1weq s GLU 16 N -2.72 0.71 0.20 4.02 1.03 -1.26 -5.08 118.70 115.59 1weq s GLU 16 Ca -0.04 0.29 0.08 0.00 0.03 0.00 0.00 54.97 55.33 1weq s GLU 16 Cb -0.01 -1.79 -0.05 0.00 -0.80 0.00 0.00 34.13 31.49 1weq s GLU 16 CO -0.05 -2.49 -0.16 -0.51 -1.33 0.00 0.00 175.26 170.72 1weq s LEU 17 N -6.23 2.53 0.07 1.83 1.43 -1.26 -5.07 118.68 111.98 1weq s LEU 17 Ca 0.65 -0.98 -0.35 0.00 -1.03 0.00 0.00 54.13 52.43 1weq s LEU 17 Cb -0.15 -0.74 -0.18 0.00 0.03 0.00 0.00 46.19 45.16 1weq s LEU 17 CO 0.55 -0.12 1.53 0.22 0.23 0.00 0.00 176.35 178.76 1weq h TYR 18 N 2.72 -1.30 -3.23 0.29 3.20 -2.05 -3.44 116.97 113.16 1weq h TYR 18 Ca -0.39 -0.00 -0.43 0.00 3.14 0.00 0.00 58.73 61.04 1weq h TYR 18 Cb 1.22 0.49 0.21 0.00 1.54 0.00 0.00 36.73 40.19 1weq h TYR 18 CO 0.71 -0.68 0.00 -0.65 -1.64 0.00 0.00 178.16 175.91 1weq s GLN 19 N -5.74 -1.06 0.57 1.82 -0.21 -1.26 -4.92 119.66 108.85 1weq s GLN 19 Ca -0.18 0.76 -0.19 0.00 0.02 0.00 0.00 55.36 55.77 1weq s GLN 19 Cb 0.03 -1.54 -0.06 0.00 1.00 0.00 0.00 33.01 32.44 1weq s GLN 19 CO 0.57 -3.80 0.91 -2.13 -2.12 0.00 0.00 175.29 168.72 1weq n ARG 20 N -4.96 0.93 -3.92 2.91 3.00 -1.26 -4.97 116.66 108.38 1weq n ARG 20 Ca 0.03 0.35 -0.33 0.00 -0.00 0.00 0.00 57.85 57.90 1weq n ARG 20 Cb 0.55 -2.08 -0.14 0.00 0.00 0.00 0.00 32.46 30.79 1weq n ARG 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1weq s TYR 21 N -1.50 3.61 -0.59 -0.14 5.04 -1.26 -4.99 117.35 117.52 1weq s TYR 21 Ca 0.73 -2.61 -0.01 0.00 -2.44 0.00 0.00 57.07 52.74 1weq s TYR 21 Cb -0.44 -2.87 0.15 0.00 0.35 0.00 0.00 41.96 39.14 1weq s TYR 21 CO 0.50 -0.94 0.38 1.03 -1.34 0.00 0.00 175.55 175.19 1weq s ARG 22 N 1.05 2.40 -0.19 4.97 3.00 -1.26 -4.10 118.95 124.82 1weq s ARG 22 Ca 0.07 -2.50 -0.04 0.00 0.00 0.00 0.00 55.73 53.26 1weq s ARG 22 Cb -0.21 -3.63 0.09 0.00 0.00 0.00 0.00 34.95 31.20 1weq s ARG 22 CO -0.06 -1.15 0.28 -1.01 0.00 0.00 0.00 175.30 173.36 1weq s HIS 23 N -0.02 -0.46 -0.32 -0.53 3.76 -1.21 -4.70 115.29 111.80 1weq s HIS 23 Ca 0.16 0.62 -0.36 0.00 -0.15 0.00 0.00 55.06 55.34 1weq s HIS 23 Cb -0.21 -0.16 -0.12 0.00 1.11 0.00 0.00 32.58 33.20 1weq s HIS 23 CO -0.03 -0.55 2.11 0.00 -0.85 0.00 0.00 174.74 175.42 1weq n ASP 25 N 8.99 3.29 -4.94 0.00 2.03 -1.21 -4.98 116.55 119.74 1weq n ASP 25 Ca 0.38 -3.52 -0.25 0.00 0.52 0.00 0.00 54.79 51.92 1weq n ASP 25 Cb 0.22 -0.41 0.05 0.00 -0.72 0.00 0.00 41.12 40.26 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 -3.27 3.36 0.11 -1.67 0.00 -1.26 -4.88 121.76 114.15 1weq s ALA 26 Ca 0.43 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1weq s ALA 26 Cb 0.39 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 1weq s ALA 26 CO -0.02 -1.07 1.44 -1.00 0.00 0.00 0.00 175.76 175.11 1weq h PRO 27 N -0.35 0.77 -3.47 0.00 0.13 -1.92 -3.45 132.00 123.71 1weq h PRO 27 Ca -0.44 -0.41 -0.22 0.00 -0.87 0.00 0.00 66.00 64.06 1weq h PRO 27 Cb 1.30 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 1weq h PRO 27 CO 0.59 1.04 -0.62 0.42 -0.23 0.00 0.00 178.00 179.19 1weq s ILE 28 N -4.37 -0.01 0.11 -3.56 -1.09 -1.24 -5.14 121.20 105.91 1weq s ILE 28 Ca -0.12 0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.42 1weq s ILE 28 Cb 0.09 -0.15 -0.04 0.00 -1.58 0.00 0.00 42.46 40.79 1weq s ILE 28 CO 0.85 0.02 -0.09 0.00 -1.23 0.00 0.00 174.94 174.48 1weq n LEU 30 N 0.60 0.00 -4.58 0.00 4.77 -1.26 -5.00 117.00 111.53 1weq n LEU 30 Ca -0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 1weq n LEU 30 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1weq n LEU 30 CO 0.34 0.00 1.86 0.00 -1.33 0.00 0.00 177.39 178.26 1weq n TYR 31 N -1.83 1.90 -0.56 -1.77 9.36 -1.26 -4.79 117.16 118.19 1weq n TYR 31 Ca 0.00 -0.08 0.45 0.00 3.32 0.00 0.00 57.90 61.59 1weq n TYR 31 Cb 0.39 -2.71 0.75 0.00 -0.63 0.00 0.00 39.34 37.14 1weq n TYR 31 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1weq h GLU 32 N 15.13 0.03 0.11 2.98 4.11 -2.02 0.88 114.58 135.80 1weq h GLU 32 Ca -0.39 -0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.06 1weq h GLU 32 Cb 1.25 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1weq h GLU 32 CO 0.98 0.02 -0.50 0.37 0.07 0.00 0.00 179.01 179.94 1weq h GLN 33 N 0.03 -0.70 -2.49 1.06 5.75 -1.99 -3.47 115.11 113.30 1weq h GLN 33 Ca 0.86 0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 59.32 1weq h GLN 33 Cb 3.15 0.16 0.04 0.00 1.07 0.00 0.00 27.48 31.90 1weq h GLN 33 CO -0.20 -0.47 -0.18 0.41 -2.65 0.00 0.00 178.83 175.74 1weq n GLY 34 N -1.48 0.45 1.86 2.39 0.00 0.30 -5.04 105.19 103.66 1weq n GLY 34 Ca -0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.70 0.50 -0.67 1.61 1.85 -1.26 -5.02 116.66 111.97 1weq n ARG 35 Ca -0.03 -1.25 -0.07 0.00 -1.00 0.00 0.00 57.85 55.50 1weq n ARG 35 Cb 0.53 1.41 -0.09 0.00 -1.05 0.00 0.00 32.46 33.26 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 -1.49 4.16 -4.50 2.89 5.68 -1.26 -4.72 116.55 117.31 1weq n ASP 36 Ca -0.03 -2.22 -0.42 0.00 -0.50 0.00 0.00 54.79 51.62 1weq n ASP 36 Cb 0.30 -1.05 -0.10 0.00 -1.14 0.00 0.00 41.12 39.14 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 2.15 6.11 0.12 -1.12 0.15 -1.26 -4.98 113.70 114.87 1weq s SER 37 Ca 0.37 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.47 1weq s SER 37 Cb 0.17 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1weq s SER 37 CO 0.00 -0.37 -0.11 -0.36 1.20 0.00 0.00 173.24 173.61 1weq s PHE 38 N 1.81 1.17 0.23 3.44 0.40 -1.26 -4.93 117.98 118.84 1weq s PHE 38 Ca 0.07 -0.68 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 1weq s PHE 38 Cb -0.18 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.70 1weq s PHE 38 CO 0.11 0.04 0.24 -2.00 0.70 0.00 0.00 175.22 174.31 1weq s GLU 39 N -3.12 3.08 0.29 0.44 2.56 0.11 -4.91 118.70 117.14 1weq s GLU 39 Ca 0.10 -0.94 0.11 0.00 0.00 0.00 0.00 54.97 54.24 1weq s GLU 39 Cb -0.01 -2.67 0.92 0.00 2.00 0.00 0.00 34.13 34.36 1weq s GLU 39 CO 0.00 0.42 1.30 -3.47 -0.56 0.00 0.00 175.26 172.96 1weq n ASP 40 N -1.12 0.13 -3.58 -1.70 2.03 -1.26 -4.38 116.55 106.67 1weq n ASP 40 Ca -0.08 1.38 -0.08 0.00 0.52 0.00 0.00 54.79 56.53 1weq n ASP 40 Cb 0.57 -0.61 -0.02 0.00 -0.72 0.00 0.00 41.12 40.35 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 -5.46 1.11 0.00 -0.67 -1.05 -1.26 -4.91 118.70 106.45 1weq s GLU 41 Ca -0.09 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1weq s GLU 41 Cb 0.27 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.41 1weq s GLU 41 CO 0.64 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1weq n GLY 42 N -0.35 0.57 0.18 -3.83 0.00 -1.26 -4.69 105.19 95.81 1weq n GLY 42 Ca -0.09 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.70 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 0.17 -1.07 1.61 0.11 -2.01 -2.91 114.38 110.28 1weq h ARG 43 Ca 0.00 -0.09 -0.45 0.00 0.10 0.00 0.00 59.98 59.54 1weq h ARG 43 Cb 0.00 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 30.85 1weq h ARG 43 CO 0.00 0.62 0.57 0.91 0.10 0.00 0.00 179.97 182.17 1weq n TRP 44 N -3.96 2.45 -3.14 4.08 7.02 -1.26 -2.22 117.44 120.40 1weq n TRP 44 Ca -0.02 -1.88 -0.37 0.00 -1.02 0.00 0.00 57.50 54.21 1weq n TRP 44 Cb 0.52 -0.94 -0.06 0.00 -2.42 0.00 0.00 31.31 28.41 1weq n TRP 44 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1weq s ARG 45 N -2.71 4.27 -0.36 -0.99 1.70 -1.10 -0.71 118.95 119.04 1weq s ARG 45 Ca 0.47 0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 56.29 1weq s ARG 45 Cb 0.38 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 1weq s ARG 45 CO 0.06 0.48 1.44 -1.17 -1.08 0.00 0.00 175.30 175.03 1weq s LEU 46 N -1.68 3.67 -0.21 -1.89 0.20 -1.26 -3.41 118.68 114.09 1weq s LEU 46 Ca 0.39 1.02 -0.06 0.00 0.69 0.00 0.00 54.13 56.16 1weq s LEU 46 Cb -0.18 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 1weq s LEU 46 CO 0.21 -1.37 0.03 -0.63 -0.29 0.00 0.00 176.35 174.31 1weq s ILE 47 N 5.32 4.21 -0.10 6.68 1.01 -0.11 -4.94 121.20 133.28 1weq s ILE 47 Ca 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 1weq s ILE 47 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1weq s ILE 47 CO 0.30 0.40 0.06 -0.76 0.00 0.00 0.00 174.94 174.94 1weq s LEU 48 N 1.12 3.91 0.98 2.97 1.43 -1.26 -1.85 118.68 125.98 1weq s LEU 48 Ca 0.03 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 1weq s LEU 48 Cb -0.14 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1weq s LEU 48 CO 0.02 0.39 -0.10 0.00 0.23 0.00 0.00 176.35 176.89 1weq n ALA 50 N -3.30 2.02 -0.06 0.00 0.00 -1.11 -3.85 120.51 114.20 1weq n ALA 50 Ca 0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1weq n ALA 50 Cb 0.56 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.52 0.00 0.00 0.00 2.02 -1.94 -3.35 112.91 109.12 1weq h THR 51 Ca -0.28 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.53 1weq h THR 51 Cb 1.14 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 1weq h THR 51 CO -0.17 0.00 -2.31 0.00 0.37 0.00 0.00 175.52 173.40 1weq n GLY 53 N 2.03 0.78 1.07 0.00 0.00 -1.25 -4.99 105.19 102.83 1weq n GLY 53 Ca -0.43 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 0.64 2.10 -3.70 1.61 3.41 -1.26 -4.82 113.62 111.60 1weq n SER 54 Ca 0.00 -3.49 -0.14 0.00 -0.26 0.00 0.00 58.87 54.98 1weq n SER 54 Cb 0.49 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.79 -0.46 -0.04 7.33 3.76 -1.26 -4.95 115.29 116.89 1weq s HIS 55 Ca 0.39 1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 56.31 1weq s HIS 55 Cb 0.38 0.19 0.03 0.00 1.11 0.00 0.00 32.58 34.29 1weq s HIS 55 CO -0.07 -0.33 0.04 0.20 -0.85 0.00 0.00 174.74 173.73 1weq s GLY 56 N -0.31 0.21 0.21 -2.22 0.00 -1.25 -1.83 107.32 102.12 1weq s GLY 56 Ca -0.05 0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 1weq s GLY 56 CO 0.03 1.13 0.42 -1.08 0.00 0.00 0.00 173.10 173.59 1weq s THR 57 N 1.78 0.02 1.29 0.90 -1.32 -0.77 -2.29 115.64 115.26 1weq s THR 57 Ca 0.00 -1.30 -0.19 0.00 -1.21 0.00 0.00 61.69 58.98 1weq s THR 57 Cb -0.12 -1.99 0.32 0.00 -1.51 0.00 0.00 72.50 69.20 1weq s THR 57 CO -0.03 -0.11 1.01 -1.00 -2.21 0.00 0.00 174.62 172.28 1weq s HIS 58 N -3.98 0.18 -0.00 9.09 0.09 -1.26 -0.93 115.29 118.48 1weq s HIS 58 Ca 0.19 0.67 -0.00 0.00 -0.00 0.00 0.00 55.06 55.92 1weq s HIS 58 Cb 0.01 -3.12 -0.00 0.00 -0.00 0.00 0.00 32.58 29.47 1weq s HIS 58 CO 0.04 -4.37 -0.00 -0.09 -0.00 0.00 0.00 174.74 170.32 1weq h ARG 59 N -2.97 0.00 -0.27 1.40 1.12 -1.46 -3.25 114.38 108.95 1weq h ARG 59 Ca -0.48 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.44 1weq h ARG 59 Cb 1.33 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.27 1weq h ARG 59 CO 0.36 0.00 0.19 0.38 -3.11 0.00 0.00 179.97 177.78 1weq h ASP 60 N -0.03 0.12 -0.73 -3.80 2.03 -1.87 -1.24 116.42 110.91 1weq h ASP 60 Ca 0.00 -0.00 0.03 0.00 -0.73 0.00 0.00 57.03 56.33 1weq h ASP 60 Cb 0.00 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.43 1weq h ASP 60 CO 0.00 0.08 0.48 0.00 -1.03 0.00 0.00 179.24 178.78 1weq n SER 62 N -4.45 1.42 -3.83 0.00 2.88 -0.47 -3.61 113.62 105.57 1weq n SER 62 Ca 0.09 -2.10 -0.24 0.00 -1.33 0.00 0.00 58.87 55.28 1weq n SER 62 Cb 0.10 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.19 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 0.03 -1.09 -3.96 -3.46 2.88 0.04 -4.93 113.62 103.12 1weq n SER 63 Ca 0.05 -0.90 -0.14 0.00 -1.33 0.00 0.00 58.87 56.55 1weq n SER 63 Cb 0.31 -3.60 0.05 0.00 -0.75 0.00 0.00 64.21 60.22 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 -4.35 0.00 -4.96 2.46 4.77 -1.21 -5.06 117.00 108.64 1weq n LEU 64 Ca -0.27 -1.66 -0.20 0.00 -0.03 0.00 0.00 56.01 53.84 1weq n LEU 64 Cb 0.67 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1weq n LEU 64 CO 0.72 -0.67 -0.01 -0.13 -1.33 0.00 0.00 177.39 175.96 1weq s ARG 65 N -3.86 3.26 0.03 3.23 3.00 -1.26 -4.83 118.95 118.52 1weq s ARG 65 Ca 0.42 -0.89 0.15 0.00 0.00 0.00 0.00 55.73 55.41 1weq s ARG 65 Cb -0.03 -2.83 0.64 0.00 0.00 0.00 0.00 34.95 32.73 1weq s ARG 65 CO 0.27 0.28 1.48 -0.35 0.00 0.00 0.00 175.30 176.98 1weq n PRO 66 N -1.48 0.02 -2.63 3.54 -0.04 -1.26 -3.02 135.00 130.14 1weq n PRO 66 Ca -0.05 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.59 1weq n PRO 66 Cb 0.58 -1.54 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1weq n PRO 66 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1weq n ASN 67 N -1.58 2.37 -4.83 3.54 4.13 -1.26 -5.10 115.26 112.53 1weq n ASN 67 Ca 0.03 -2.63 -0.30 0.00 1.68 0.00 0.00 54.58 53.36 1weq n ASN 67 Cb 0.17 -0.47 0.09 0.00 -1.54 0.00 0.00 39.78 38.03 1weq n ASN 67 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1weq s SER 68 N -3.57 4.48 -0.05 6.41 0.15 -1.17 -5.04 113.70 114.91 1weq s SER 68 Ca 0.33 1.12 -0.07 0.00 0.70 0.00 0.00 55.95 58.03 1weq s SER 68 Cb 0.38 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1weq s SER 68 CO -0.02 -1.96 -0.15 0.29 1.20 0.00 0.00 173.24 172.60 1weq n LYS 69 N -3.40 0.24 -4.07 5.44 5.02 -1.26 -5.06 118.16 115.07 1weq n LYS 69 Ca 0.07 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 1weq n LYS 69 Cb 0.58 -0.91 -0.10 0.00 -0.02 0.00 0.00 35.03 34.57 1weq n LYS 69 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1weq s LYS 70 N -2.35 0.55 0.06 1.97 -2.85 -1.26 -5.17 119.74 110.69 1weq s LYS 70 Ca -0.14 -1.06 0.07 0.00 -1.00 0.00 0.00 55.97 53.84 1weq s LYS 70 Cb 0.03 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1weq s LYS 70 CO 0.20 -0.08 -0.20 -0.46 0.10 0.00 0.00 175.35 174.90 1weq s TRP 71 N -3.17 1.78 -0.05 1.78 -0.00 -1.26 -5.07 118.94 112.94 1weq s TRP 71 Ca 0.01 -0.38 0.06 0.00 -0.00 0.00 0.00 56.10 55.78 1weq s TRP 71 Cb 0.02 -1.04 -0.02 0.00 -0.00 0.00 0.00 33.47 32.44 1weq s TRP 71 CO -0.07 0.12 -0.23 -1.21 -0.00 0.00 0.00 176.95 175.56 1weq s GLU 72 N -1.36 2.52 0.88 5.86 2.02 -1.26 -2.76 118.70 124.61 1weq s GLU 72 Ca 0.07 -0.86 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 1weq s GLU 72 Cb -0.09 -2.20 0.12 0.00 0.10 0.00 0.00 34.13 32.06 1weq s GLU 72 CO 0.02 0.44 1.10 0.00 0.02 0.00 0.00 175.26 176.84 1weq h ASN 74 N -1.56 -1.36 -0.98 0.00 -1.24 -1.92 0.25 115.58 108.77 1weq h ASN 74 Ca -0.48 0.16 0.33 0.00 0.71 0.00 0.00 56.30 57.03 1weq h ASN 74 Cb 1.27 0.53 -0.17 0.00 0.73 0.00 0.00 38.32 40.68 1weq h ASN 74 CO 0.51 -0.47 0.33 -0.08 -1.29 0.00 0.00 177.43 176.44 1weq h GLU 75 N -0.58 0.07 0.21 6.67 4.57 -1.98 -1.19 114.58 122.35 1weq h GLU 75 Ca 0.05 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1weq h GLU 75 Cb 0.66 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1weq h GLU 75 CO -0.34 0.05 -0.10 0.00 -1.18 0.00 0.00 179.01 177.44 1weq n LEU 77 N -4.95 -3.86 0.00 0.00 4.77 0.73 -4.71 117.00 108.98 1weq n LEU 77 Ca -0.05 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1weq n LEU 77 Cb 0.17 -0.66 0.16 0.00 -2.33 0.00 0.00 43.42 40.76 1weq n LEU 77 CO 0.13 -4.36 0.40 -0.81 -1.33 0.00 0.00 177.39 171.42 1weq n PRO 78 N 1.59 0.49 -1.32 3.23 -0.04 -1.26 -4.88 135.00 132.81 1weq n PRO 78 Ca 0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 1weq n PRO 78 Cb 0.42 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.69 1weq n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1weq n ALA 79 N -0.68 -2.94 -1.79 0.55 0.00 -1.26 -4.82 120.51 109.57 1weq n ALA 79 Ca 0.04 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1weq n ALA 79 Cb 0.02 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.95 1weq n ALA 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1weq s SER 80 N -1.00 6.58 0.00 0.00 0.15 -1.26 -4.95 113.70 113.22 1weq s SER 80 Ca 0.60 2.83 0.00 0.00 0.70 0.00 0.00 55.95 60.08 1weq s SER 80 Cb -0.68 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 60.98 1weq s SER 80 CO 0.62 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1weq n GLY 81 N 0.92 2.56 0.24 9.45 0.00 -1.26 -5.00 105.19 112.10 1weq n GLY 81 Ca 0.02 0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.33 1weq n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weq h PRO 82 N 0.00 0.00 -0.70 1.61 0.13 -2.01 -3.32 132.00 127.71 1weq h PRO 82 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1weq h PRO 82 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1weq h PRO 82 CO 0.00 0.00 -0.32 0.45 -0.23 0.00 0.00 178.00 177.90 1weq n SER 83 N -2.88 -0.55 -3.61 1.44 2.88 -1.26 -4.76 113.62 104.88 1weq n SER 83 Ca 0.01 1.24 -0.03 0.00 -1.33 0.00 0.00 58.87 58.76 1weq n SER 83 Cb 0.28 -0.24 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1weq n SER 83 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1weq s SER 84 N -5.29 -0.11 0.00 -3.46 0.15 -1.25 -5.27 113.70 98.48 1weq s SER 84 Ca -0.09 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1weq s SER 84 Cb 0.12 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1weq s SER 84 CO 0.48 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.63