#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 0.31 0.25 1.61 0.01 -1.26 -5.19 113.70 109.44 1weq s SER 2 Ca 0.00 -1.19 -0.00 0.00 1.31 0.00 0.00 55.95 56.07 1weq s SER 2 Cb 0.00 0.71 -0.03 0.00 0.21 0.00 0.00 66.02 66.91 1weq s SER 2 CO 0.00 -1.39 0.23 -0.94 0.41 0.00 0.00 173.24 171.55 1weq s SER 3 N -3.11 0.59 0.00 2.44 1.04 -1.26 -5.18 113.70 108.22 1weq s SER 3 Ca 0.22 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1weq s SER 3 Cb -0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1weq s SER 3 CO 0.14 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1weq n GLY 4 N -0.40 5.68 3.21 7.32 0.00 -1.26 -5.18 105.19 114.56 1weq n GLY 4 Ca 0.03 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 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 1.82 0.68 1.61 1.04 -1.26 -5.16 113.70 113.43 1weq s SER 5 Ca 0.00 -0.74 -0.07 0.00 0.48 0.00 0.00 55.95 55.63 1weq s SER 5 Cb 0.00 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.11 1weq s SER 5 CO 0.00 -0.13 0.99 -0.44 0.98 0.00 0.00 173.24 174.64 1weq s SER 6 N -2.18 5.04 0.00 7.02 0.01 -1.26 -5.11 113.70 117.22 1weq s SER 6 Ca 0.04 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1weq s SER 6 Cb -0.07 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1weq s SER 6 CO 0.02 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 172.83 1weq n GLY 7 N -2.84 2.55 3.28 3.44 0.00 -1.26 -5.16 105.19 105.20 1weq n GLY 7 Ca 0.07 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 1weq n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1weq s GLU 8 N 4.24 0.61 1.23 1.61 2.12 -1.26 -5.17 118.70 122.09 1weq s GLU 8 Ca 0.00 0.17 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 1weq s GLU 8 Cb 0.00 0.28 0.31 0.00 0.26 0.00 0.00 34.13 34.98 1weq s GLU 8 CO 0.00 -0.14 1.00 -0.48 -0.54 0.00 0.00 175.26 175.10 1weq s LEU 9 N -0.64 0.29 -0.14 2.70 0.05 -1.26 -5.02 118.68 114.66 1weq s LEU 9 Ca -0.07 1.31 -0.00 0.00 0.05 0.00 0.00 54.13 55.41 1weq s LEU 9 Cb -0.04 -3.08 -0.01 0.00 -2.05 0.00 0.00 46.19 41.01 1weq s LEU 9 CO 0.03 -4.51 -0.13 -1.61 -0.55 0.00 0.00 176.35 169.58 1weq s GLU 10 N -4.62 3.36 0.91 1.48 8.01 -1.26 -5.12 118.70 121.46 1weq s GLU 10 Ca 0.68 -0.69 -0.12 0.00 0.01 0.00 0.00 54.97 54.86 1weq s GLU 10 Cb -0.22 -2.65 0.14 0.00 -4.31 0.00 0.00 34.13 27.08 1weq s GLU 10 CO 0.63 0.16 1.09 -1.25 0.01 0.00 0.00 175.26 175.91 1weq s PRO 11 N 0.48 1.14 -0.97 0.39 0.04 -1.26 -4.17 135.00 130.64 1weq s PRO 11 Ca -0.09 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.56 1weq s PRO 11 Cb -0.16 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1weq s PRO 11 CO 0.04 -2.31 0.61 0.41 0.04 0.00 0.00 177.00 175.79 1weq n GLY 12 N -1.13 -1.04 1.64 0.56 0.00 -1.26 -4.86 105.19 99.09 1weq n GLY 12 Ca 0.07 0.46 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.68 4.87 -2.72 4.61 0.00 -1.26 -5.02 120.51 117.30 1weq n ALA 13 Ca -0.22 -3.48 -0.23 0.00 0.00 0.00 0.00 53.44 49.52 1weq n ALA 13 Cb 0.61 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.48 2.88 0.22 0.00 0.40 -1.26 -5.13 117.98 111.60 1weq s PHE 14 Ca 0.50 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1weq s PHE 14 Cb 0.42 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 1weq s PHE 14 CO 0.01 0.58 0.38 -1.12 0.70 0.00 0.00 175.22 175.76 1weq s SER 15 N -3.72 6.34 1.17 1.36 0.01 -1.26 -5.09 113.70 112.51 1weq s SER 15 Ca 0.32 0.25 -0.13 0.00 1.31 0.00 0.00 55.95 57.70 1weq s SER 15 Cb -0.07 -1.94 0.29 0.00 0.21 0.00 0.00 66.02 64.50 1weq s SER 15 CO 0.22 -0.06 1.03 -1.83 0.41 0.00 0.00 173.24 173.00 1weq s GLU 16 N -3.65 -0.94 0.05 12.44 -1.05 -1.26 -5.05 118.70 119.25 1weq s GLU 16 Ca 0.36 0.86 0.06 0.00 -0.15 0.00 0.00 54.97 56.11 1weq s GLU 16 Cb -0.10 -1.55 -0.03 0.00 -0.44 0.00 0.00 34.13 32.01 1weq s GLU 16 CO 0.30 -3.74 -0.17 -0.51 0.95 0.00 0.00 175.26 172.09 1weq s LEU 17 N -7.23 2.21 -0.12 1.83 1.43 -1.26 -5.07 118.68 110.47 1weq s LEU 17 Ca 0.68 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1weq s LEU 17 Cb -0.25 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 1weq s LEU 17 CO 0.65 0.05 0.19 0.22 0.23 0.00 0.00 176.35 177.69 1weq h TYR 18 N 4.69 0.00 -2.82 0.29 5.03 -2.09 -3.47 116.97 118.60 1weq h TYR 18 Ca -0.41 0.00 -0.54 0.00 2.58 0.00 0.00 58.73 60.36 1weq h TYR 18 Cb 1.18 0.00 0.22 0.00 1.55 0.00 0.00 36.73 39.68 1weq h TYR 18 CO 0.55 0.30 -1.09 1.04 -1.32 0.00 0.00 178.16 177.64 1weq n GLN 19 N -4.71 -0.15 -2.85 1.82 1.13 -1.26 -4.93 117.38 106.43 1weq n GLN 19 Ca -0.04 -0.02 -0.33 0.00 -1.94 0.00 0.00 57.00 54.67 1weq n GLN 19 Cb 0.16 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 28.94 1weq n GLN 19 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1weq s ARG 20 N -2.91 4.21 -0.44 -1.09 0.52 -1.26 -5.01 118.95 112.97 1weq s ARG 20 Ca 0.50 1.07 -0.25 0.00 -0.52 0.00 0.00 55.73 56.53 1weq s ARG 20 Cb -0.21 -2.21 0.02 0.00 0.52 0.00 0.00 34.95 33.08 1weq s ARG 20 CO 0.73 -0.01 0.92 -0.47 0.02 0.00 0.00 175.30 176.49 1weq s TYR 21 N -2.16 2.96 -0.48 -0.53 6.14 -1.26 -4.97 117.35 117.05 1weq s TYR 21 Ca 0.61 0.46 0.03 0.00 0.64 0.00 0.00 57.07 58.81 1weq s TYR 21 Cb -0.09 -3.88 0.16 0.00 0.42 0.00 0.00 41.96 38.57 1weq s TYR 21 CO 0.13 -1.03 0.34 1.03 0.64 0.00 0.00 175.55 176.66 1weq s ARG 22 N 3.67 1.33 -0.20 4.97 0.52 -1.26 -4.41 118.95 123.57 1weq s ARG 22 Ca 0.37 -2.30 -0.05 0.00 -0.52 0.00 0.00 55.73 53.23 1weq s ARG 22 Cb -0.11 -2.10 0.10 0.00 0.52 0.00 0.00 34.95 33.36 1weq s ARG 22 CO 0.24 -1.29 0.36 -1.58 0.02 0.00 0.00 175.30 173.05 1weq s HIS 23 N -0.13 -0.69 0.07 -0.53 2.46 -1.22 -4.66 115.29 110.59 1weq s HIS 23 Ca 0.26 1.05 -0.31 0.00 0.47 0.00 0.00 55.06 56.53 1weq s HIS 23 Cb -0.08 0.08 -0.10 0.00 -0.13 0.00 0.00 32.58 32.35 1weq s HIS 23 CO -0.12 -0.55 1.91 0.00 -2.47 0.00 0.00 174.74 173.51 1weq n ASP 25 N 6.60 1.16 -4.78 0.00 2.03 -1.26 -5.02 116.55 115.27 1weq n ASP 25 Ca 0.19 -2.64 -0.29 0.00 0.52 0.00 0.00 54.79 52.57 1weq n ASP 25 Cb 0.39 -0.35 0.13 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.30 1.81 -0.02 -1.67 0.00 -1.26 -4.92 121.76 114.40 1weq s ALA 26 Ca 0.25 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 1weq s ALA 26 Cb 0.26 -3.05 -0.20 0.00 0.00 0.00 0.00 23.12 20.13 1weq s ALA 26 CO -0.06 -2.22 1.25 -1.00 0.00 0.00 0.00 175.76 173.73 1weq h PRO 27 N -1.45 -0.03 -4.61 0.00 0.13 -1.93 -3.45 132.00 120.66 1weq h PRO 27 Ca -0.50 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 1weq h PRO 27 Cb 1.32 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.14 1weq h PRO 27 CO 0.61 0.45 -0.80 0.42 -0.23 0.00 0.00 178.00 178.45 1weq s ILE 28 N -4.25 0.92 -0.09 -3.56 -1.09 -1.24 -5.13 121.20 106.76 1weq s ILE 28 Ca -0.16 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1weq s ILE 28 Cb 0.02 -0.83 -0.02 0.00 -1.58 0.00 0.00 42.46 40.05 1weq s ILE 28 CO 0.66 0.29 -0.16 0.00 -1.23 0.00 0.00 174.94 174.50 1weq n LEU 30 N 3.05 0.00 -4.62 0.00 4.77 -1.26 -4.94 117.00 114.01 1weq n LEU 30 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.37 1weq n LEU 30 Cb 0.52 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.92 1weq n LEU 30 CO 0.28 0.34 1.77 0.00 -1.33 0.00 0.00 177.39 178.45 1weq n TYR 31 N -2.52 2.14 -0.33 -1.77 9.36 -1.26 -4.85 117.16 117.93 1weq n TYR 31 Ca -0.23 -0.20 -0.03 0.00 3.32 0.00 0.00 57.90 60.75 1weq n TYR 31 Cb 0.94 -2.75 -0.00 0.00 -0.63 0.00 0.00 39.34 36.90 1weq n TYR 31 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1weq n GLU 32 N 8.34 -0.25 -0.29 2.98 1.02 -1.26 0.20 120.64 131.38 1weq n GLU 32 Ca 0.27 1.30 0.08 0.00 -0.02 0.00 0.00 57.16 58.78 1weq n GLU 32 Cb 0.43 -1.92 0.30 0.00 -0.02 0.00 0.00 31.44 30.23 1weq n GLU 32 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1weq h GLN 33 N 0.00 0.85 -5.09 3.49 4.20 -2.01 -3.45 115.11 113.11 1weq h GLN 33 Ca 0.25 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.72 1weq h GLN 33 Cb 0.46 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1weq h GLN 33 CO -0.83 0.56 -0.26 0.41 -0.67 0.00 0.00 178.83 178.04 1weq n GLY 34 N -1.40 -0.49 1.37 3.46 0.00 0.54 -4.90 105.19 103.77 1weq n GLY 34 Ca 0.16 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.94 1.25 -0.64 1.61 1.85 -1.26 -4.91 116.66 111.61 1weq n ARG 35 Ca -0.02 -1.26 -0.06 0.00 -1.00 0.00 0.00 57.85 55.51 1weq n ARG 35 Cb 0.52 0.17 -0.08 0.00 -1.05 0.00 0.00 32.46 32.02 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 -1.82 4.22 -4.53 2.89 5.68 -1.26 -4.66 116.55 117.06 1weq n ASP 36 Ca -0.02 -2.22 -0.34 0.00 -0.50 0.00 0.00 54.79 51.71 1weq n ASP 36 Cb 0.23 -1.04 -0.12 0.00 -1.14 0.00 0.00 41.12 39.05 1weq n ASP 36 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1weq s SER 37 N 2.12 4.68 0.10 -1.12 0.01 -1.26 -4.92 113.70 113.31 1weq s SER 37 Ca 0.33 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.38 1weq s SER 37 Cb 0.16 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.89 1weq s SER 37 CO 0.00 0.26 0.28 -0.36 0.41 0.00 0.00 173.24 173.83 1weq s PHE 38 N -0.17 -0.01 0.34 2.43 0.40 -1.26 -4.90 117.98 114.81 1weq s PHE 38 Ca 0.02 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.08 1weq s PHE 38 Cb -0.13 0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.46 1weq s PHE 38 CO 0.03 -0.60 0.42 -2.00 0.70 0.00 0.00 175.22 173.77 1weq s GLU 39 N -3.69 2.99 0.37 0.44 2.12 -0.79 -4.92 118.70 115.22 1weq s GLU 39 Ca 0.03 -1.11 0.20 0.00 0.36 0.00 0.00 54.97 54.45 1weq s GLU 39 Cb 0.03 -2.72 1.30 0.00 0.26 0.00 0.00 34.13 33.00 1weq s GLU 39 CO -0.11 0.05 1.60 0.22 -0.54 0.00 0.00 175.26 176.49 1weq h ASP 40 N 0.98 0.36 -5.46 -1.70 1.82 -2.02 -3.41 116.42 107.00 1weq h ASP 40 Ca -0.45 0.24 0.28 0.00 -0.39 0.00 0.00 57.03 56.71 1weq h ASP 40 Cb 1.26 0.24 -0.12 0.00 0.68 0.00 0.00 39.33 41.38 1weq h ASP 40 CO 0.54 -0.37 0.74 -1.83 -1.61 0.00 0.00 179.24 176.71 1weq s GLU 41 N -5.54 0.57 0.00 0.28 -1.05 -1.26 -4.95 118.70 106.75 1weq s GLU 41 Ca -0.09 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 1weq s GLU 41 Cb 0.33 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1weq s GLU 41 CO 0.78 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 177.14 1weq n GLY 42 N -0.43 0.32 0.10 -3.83 0.00 -1.26 -4.77 105.19 95.32 1weq n GLY 42 Ca -0.07 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1weq n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1weq n ARG 43 N 0.00 0.83 -1.20 1.61 1.85 -1.26 -4.45 116.66 114.04 1weq n ARG 43 Ca 0.00 0.05 -0.29 0.00 -1.00 0.00 0.00 57.85 56.61 1weq n ARG 43 Cb 0.00 -1.47 0.08 0.00 -1.05 0.00 0.00 32.46 30.02 1weq n ARG 43 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1weq n TRP 44 N -2.90 2.77 -3.13 2.89 5.03 -1.26 -2.10 117.44 118.73 1weq n TRP 44 Ca -0.35 -2.66 -0.29 0.00 3.03 0.00 0.00 57.50 57.23 1weq n TRP 44 Cb 1.03 -1.28 -0.03 0.00 -1.03 0.00 0.00 31.31 29.99 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 -3.25 3.70 -0.73 -0.99 1.70 -1.26 -1.88 118.95 116.24 1weq s ARG 45 Ca 0.55 0.21 -0.25 0.00 -0.47 0.00 0.00 55.73 55.77 1weq s ARG 45 Cb 0.44 -2.54 0.05 0.00 -0.57 0.00 0.00 34.95 32.32 1weq s ARG 45 CO 0.00 0.11 1.18 -1.17 -1.08 0.00 0.00 175.30 174.34 1weq s LEU 46 N -3.67 3.59 -0.30 -1.89 0.20 -1.26 -3.42 118.68 111.93 1weq s LEU 46 Ca 0.47 -0.68 -0.17 0.00 0.69 0.00 0.00 54.13 54.44 1weq s LEU 46 Cb -0.11 -2.51 -0.02 0.00 -0.43 0.00 0.00 46.19 43.12 1weq s LEU 46 CO 0.30 -1.69 0.45 -0.63 -0.29 0.00 0.00 176.35 174.49 1weq s ILE 47 N 5.13 5.10 0.02 6.68 1.01 0.59 -4.88 121.20 134.85 1weq s ILE 47 Ca 0.31 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 61.37 1weq s ILE 47 Cb -0.11 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1weq s ILE 47 CO 0.12 -0.00 0.36 -0.76 0.00 0.00 0.00 174.94 174.65 1weq s LEU 48 N 2.22 4.40 0.91 2.97 1.43 -1.26 -2.11 118.68 127.24 1weq s LEU 48 Ca 0.17 0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 1weq s LEU 48 Cb -0.16 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1weq s LEU 48 CO 0.11 0.26 0.05 0.00 0.23 0.00 0.00 176.35 177.00 1weq n ALA 50 N -2.99 1.74 0.16 0.00 0.00 -0.90 -3.61 120.51 114.91 1weq n ALA 50 Ca 0.05 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 1weq n ALA 50 Cb 0.53 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 0.77 0.00 0.00 2.02 -1.93 -3.39 112.91 110.38 1weq h THR 51 Ca -0.27 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 1weq h THR 51 Cb 1.50 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1weq h THR 51 CO -0.02 0.07 -1.33 0.00 0.37 0.00 0.00 175.52 174.60 1weq n GLY 53 N 3.12 0.59 0.45 0.00 0.00 -1.24 -4.96 105.19 103.16 1weq n GLY 53 Ca -0.10 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 0.64 2.42 -3.84 1.61 7.64 -1.26 -4.78 113.62 116.05 1weq n SER 54 Ca -0.00 -3.37 -0.12 0.00 1.01 0.00 0.00 58.87 56.39 1weq n SER 54 Cb 0.52 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.01 -0.01 -0.09 1.43 3.76 -1.26 -5.02 115.29 111.09 1weq s HIS 55 Ca 0.36 -0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 55.18 1weq s HIS 55 Cb 0.33 -0.01 0.05 0.00 1.11 0.00 0.00 32.58 34.06 1weq s HIS 55 CO 0.01 -0.34 0.18 0.20 -0.85 0.00 0.00 174.74 173.94 1weq s GLY 56 N -1.49 -0.02 0.24 -2.22 0.00 -1.26 -1.87 107.32 100.70 1weq s GLY 56 Ca -0.13 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.18 1weq s GLY 56 CO 0.01 1.48 0.44 -1.08 0.00 0.00 0.00 173.10 173.95 1weq s THR 57 N 1.88 0.00 1.22 0.90 -1.32 -0.90 -3.17 115.64 114.25 1weq s THR 57 Ca -0.02 -1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 58.79 1weq s THR 57 Cb -0.12 -2.25 0.29 0.00 -1.51 0.00 0.00 72.50 68.91 1weq s THR 57 CO -0.07 0.00 1.05 -1.00 -2.21 0.00 0.00 174.62 172.40 1weq s HIS 58 N -4.02 0.64 -0.10 9.09 0.09 -1.25 -0.30 115.29 119.44 1weq s HIS 58 Ca 0.25 0.69 -0.05 0.00 -0.00 0.00 0.00 55.06 55.94 1weq s HIS 58 Cb 0.00 -3.24 -0.02 0.00 -0.00 0.00 0.00 32.58 29.32 1weq s HIS 58 CO 0.10 -3.98 -0.10 -0.09 -0.00 0.00 0.00 174.74 170.67 1weq h ARG 59 N -2.67 0.00 0.00 1.40 1.12 -1.44 -3.31 114.38 109.48 1weq h ARG 59 Ca -0.49 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.36 1weq h ARG 59 Cb 1.32 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.27 1weq h ARG 59 CO 0.40 0.00 -0.11 -0.44 -3.11 0.00 0.00 179.97 176.70 1weq h ASP 60 N -0.76 0.00 -0.27 -3.80 3.32 -1.83 -2.05 116.42 111.03 1weq h ASP 60 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1weq h ASP 60 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1weq h ASP 60 CO 0.00 0.11 -0.02 0.00 -1.72 0.00 0.00 179.24 177.61 1weq n SER 62 N -4.24 1.72 -4.00 0.00 7.64 -0.77 -3.63 113.62 110.34 1weq n SER 62 Ca 0.02 -2.13 -0.33 0.00 1.01 0.00 0.00 58.87 57.44 1weq n SER 62 Cb 0.28 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1weq n SER 62 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1weq n SER 63 N 0.10 -3.20 -4.94 6.43 2.88 -0.75 -4.93 113.62 109.22 1weq n SER 63 Ca 0.04 -0.83 -0.25 0.00 -1.33 0.00 0.00 58.87 56.50 1weq n SER 63 Cb 0.39 -2.64 0.04 0.00 -0.75 0.00 0.00 64.21 61.26 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 -7.00 3.13 0.37 2.46 1.43 -1.20 -5.07 118.68 112.79 1weq s LEU 64 Ca 0.65 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1weq s LEU 64 Cb -0.36 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1weq s LEU 64 CO 0.80 -1.24 0.57 -0.13 0.23 0.00 0.00 176.35 176.58 1weq s ARG 65 N -5.00 3.38 0.00 1.70 3.00 -1.26 -4.80 118.95 115.97 1weq s ARG 65 Ca 0.56 -0.40 0.15 0.00 0.00 0.00 0.00 55.73 56.03 1weq s ARG 65 Cb -0.11 -2.65 0.87 0.00 0.00 0.00 0.00 34.95 33.06 1weq s ARG 65 CO 0.43 0.06 1.29 -0.35 0.00 0.00 0.00 175.30 176.73 1weq n PRO 66 N -1.84 0.49 -0.08 3.54 -0.04 -1.26 -2.88 135.00 132.94 1weq n PRO 66 Ca -0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1weq n PRO 66 Cb 0.57 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.96 2.38 -3.33 3.54 4.13 -1.26 -5.03 115.26 114.72 1weq n ASN 67 Ca 0.11 -0.01 -0.33 0.00 1.68 0.00 0.00 54.58 56.02 1weq n ASN 67 Cb 0.05 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 37.97 1weq n ASN 67 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1weq n SER 68 N -3.16 -1.88 -0.04 6.41 2.88 -1.14 -4.92 113.62 111.76 1weq n SER 68 Ca -0.29 0.69 -0.09 0.00 -1.33 0.00 0.00 58.87 57.85 1weq n SER 68 Cb 0.78 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 1weq n SER 68 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1weq n LYS 69 N 0.96 0.19 -4.68 -1.46 5.02 -1.26 -4.96 118.16 111.98 1weq n LYS 69 Ca 0.10 0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 1weq n LYS 69 Cb 0.28 -0.89 -0.13 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.16 1.91 0.15 1.97 -2.85 -1.26 -5.10 119.74 112.39 1weq s LYS 70 Ca -0.12 -1.07 0.10 0.00 -1.00 0.00 0.00 55.97 53.88 1weq s LYS 70 Cb 0.04 -2.10 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 1weq s LYS 70 CO 0.16 0.52 -0.22 -0.46 0.10 0.00 0.00 175.35 175.45 1weq s TRP 71 N -0.92 2.01 0.07 1.78 -0.00 -1.26 -5.02 118.94 115.60 1weq s TRP 71 Ca 0.14 -0.41 0.07 0.00 -0.00 0.00 0.00 56.10 55.90 1weq s TRP 71 Cb -0.10 -1.05 -0.04 0.00 -0.00 0.00 0.00 33.47 32.29 1weq s TRP 71 CO 0.05 0.33 -0.17 -1.21 -0.00 0.00 0.00 176.95 175.95 1weq s GLU 72 N -2.37 2.01 0.79 5.86 2.02 -1.26 -2.11 118.70 123.64 1weq s GLU 72 Ca 0.14 -1.03 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 1weq s GLU 72 Cb -0.08 -2.19 0.07 0.00 0.10 0.00 0.00 34.13 32.02 1weq s GLU 72 CO 0.07 0.52 1.09 0.00 0.02 0.00 0.00 175.26 176.95 1weq h ASN 74 N -1.10 -0.77 -0.95 0.00 -0.73 -1.91 0.20 115.58 110.32 1weq h ASN 74 Ca -0.46 0.13 0.26 0.00 1.87 0.00 0.00 56.30 58.09 1weq h ASN 74 Cb 1.25 0.35 -0.13 0.00 0.27 0.00 0.00 38.32 40.06 1weq h ASN 74 CO 0.57 -0.29 0.48 -0.08 -0.37 0.00 0.00 177.43 177.74 1weq h GLU 75 N -0.29 0.39 0.18 6.67 4.81 -1.93 -1.91 114.58 122.49 1weq h GLU 75 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1weq h GLU 75 Cb 0.46 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1weq h GLU 75 CO -0.34 0.26 -0.08 0.00 -0.73 0.00 0.00 179.01 178.12 1weq n LEU 77 N -4.92 -2.81 -4.56 0.00 4.77 0.57 -4.73 117.00 105.32 1weq n LEU 77 Ca -0.07 0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 56.17 1weq n LEU 77 Cb 0.24 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1weq n LEU 77 CO 0.21 -4.55 1.39 -2.16 -1.33 0.00 0.00 177.39 170.95 1weq s PRO 78 N -1.73 2.57 0.01 3.23 0.04 -1.26 -4.93 135.00 132.93 1weq s PRO 78 Ca 0.56 -0.15 0.06 0.00 0.04 0.00 0.00 61.00 61.51 1weq s PRO 78 Cb -0.39 -4.96 -0.02 0.00 0.04 0.00 0.00 34.50 29.18 1weq s PRO 78 CO 0.67 -3.27 -0.17 0.00 0.04 0.00 0.00 177.00 174.26 1weq s ALA 79 N 9.91 1.46 -0.02 8.56 0.00 -1.26 -5.05 121.76 135.36 1weq s ALA 79 Ca 0.70 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 1weq s ALA 79 Cb -0.08 -0.32 -0.22 0.00 0.00 0.00 0.00 23.12 22.51 1weq s ALA 79 CO 0.03 0.34 1.10 0.77 0.00 0.00 0.00 175.76 178.00 1weq h SER 80 N 5.32 0.32 -2.63 0.00 0.02 -1.99 -3.46 113.55 111.12 1weq h SER 80 Ca -0.38 -0.71 -0.56 0.00 -0.84 0.00 0.00 61.79 59.29 1weq h SER 80 Cb 1.16 -0.09 0.21 0.00 0.14 0.00 0.00 62.40 63.82 1weq h SER 80 CO 0.46 0.98 -1.09 0.61 -1.14 0.00 0.00 176.83 176.66 1weq n GLY 81 N 0.89 -3.04 3.61 -3.77 0.00 -1.26 -4.81 105.19 96.81 1weq n GLY 81 Ca -0.09 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.42 3.60 0.32 1.61 0.04 -1.26 -4.99 135.00 131.90 1weq s PRO 82 Ca 0.53 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 1weq s PRO 82 Cb -0.28 -4.09 -0.10 0.00 0.04 0.00 0.00 34.50 30.07 1weq s PRO 82 CO 0.70 -1.53 0.88 -1.54 0.04 0.00 0.00 177.00 175.55 1weq s SER 83 N 4.86 7.15 -0.26 6.66 1.04 -1.26 -5.07 113.70 126.82 1weq s SER 83 Ca 0.73 1.67 -0.24 0.00 0.48 0.00 0.00 55.95 58.59 1weq s SER 83 Cb -0.22 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.45 1weq s SER 83 CO 0.31 -0.11 0.69 -0.44 0.98 0.00 0.00 173.24 174.67 1weq s SER 84 N -1.79 -0.73 0.00 7.02 0.01 -1.26 -5.09 113.70 111.86 1weq s SER 84 Ca 0.51 1.40 0.31 0.00 1.31 0.00 0.00 55.95 59.48 1weq s SER 84 Cb -0.16 1.41 1.77 0.00 0.21 0.00 0.00 66.02 69.25 1weq s SER 84 CO 0.20 -0.24 2.15 0.61 0.41 0.00 0.00 173.24 176.38