#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfe s LYS 2 N 0.00 3.05 -0.14 0.03 -0.14 -1.26 -0.91 119.74 120.37 2dfe s LYS 2 Ca 0.00 -0.88 -0.07 0.00 -1.36 0.00 0.00 55.97 53.66 2dfe s LYS 2 Cb 0.00 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 2dfe s LYS 2 CO 0.00 -0.46 0.11 0.42 -0.76 0.00 0.00 175.35 174.65 2dfe s ILE 3 N 1.49 5.22 0.14 2.17 1.09 -0.46 0.27 121.20 131.12 2dfe s ILE 3 Ca 0.02 0.11 0.09 0.00 -1.10 0.00 0.00 60.65 59.76 2dfe s ILE 3 Cb -0.17 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 2dfe s ILE 3 CO 0.03 0.57 -0.20 0.00 -0.10 0.00 0.00 174.94 175.23 2dfe s ALA 4 N -0.61 1.95 -0.01 9.38 0.00 -0.27 -0.25 121.76 131.95 2dfe s ALA 4 Ca 0.12 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2dfe s ALA 4 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2dfe s ALA 4 CO 0.02 0.31 -0.11 0.20 0.00 0.00 0.00 175.76 176.18 2dfe s GLY 5 N -2.31 0.58 -0.01 0.00 0.00 -0.23 -0.33 107.32 105.02 2dfe s GLY 5 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2dfe s GLY 5 CO 0.06 -0.34 0.00 -1.50 0.00 0.00 0.00 173.10 171.32 2dfe s ILE 6 N -0.16 0.07 0.31 0.90 2.07 -0.86 -0.73 121.20 122.80 2dfe s ILE 6 Ca 0.02 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.29 2dfe s ILE 6 Cb -0.06 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.42 2dfe s ILE 6 CO -0.00 0.07 0.44 -0.67 -1.91 0.00 0.00 174.94 172.87 2dfe n ASP 7 N 3.61 -1.24 -4.26 4.50 -0.08 -0.86 -2.88 116.55 115.33 2dfe n ASP 7 Ca -0.20 -2.63 -0.21 0.00 -1.51 0.00 0.00 54.79 50.24 2dfe n ASP 7 Cb 0.55 2.29 -0.10 0.00 2.34 0.00 0.00 41.12 46.20 2dfe n ASP 7 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2dfe s GLU 8 N -2.65 1.68 -0.15 -0.67 4.04 -1.26 -1.64 118.70 118.05 2dfe s GLU 8 Ca 0.24 -1.97 -0.11 0.00 0.04 0.00 0.00 54.97 53.18 2dfe s GLU 8 Cb -0.01 -0.56 0.05 0.00 0.02 0.00 0.00 34.13 33.62 2dfe s GLU 8 CO 0.17 -0.34 0.38 0.00 -1.84 0.00 0.00 175.26 173.64 2dfe s ALA 9 N -3.40 -0.96 0.00 -0.84 0.00 0.27 -4.81 121.76 112.01 2dfe s ALA 9 Ca 0.33 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2dfe s ALA 9 Cb 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2dfe s ALA 9 CO 0.15 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2dfe n GLY 10 N 3.70 1.01 0.11 0.00 0.00 -1.26 -1.30 105.19 107.46 2dfe n GLY 10 Ca -0.19 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2dfe n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dfe h ARG 11 N 0.00 0.25 0.56 1.61 2.43 -1.92 -3.41 114.38 113.90 2dfe h ARG 11 Ca 0.00 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 2dfe h ARG 11 Cb 0.58 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2dfe h ARG 11 CO 0.00 1.11 -0.27 0.78 -1.51 0.00 0.00 179.97 180.08 2dfe h GLY 12 N 1.69 -0.78 -1.84 2.80 0.00 -2.01 -3.46 103.07 99.47 2dfe h GLY 12 Ca -0.25 0.29 -0.54 0.00 0.00 0.00 0.00 47.33 46.83 2dfe h GLY 12 CO 0.16 -0.28 0.15 -1.55 0.00 0.00 0.00 176.54 175.01 2dfe n PRO 13 N -5.03 0.21 -0.22 4.80 -0.04 -1.26 -4.93 135.00 128.53 2dfe n PRO 13 Ca -0.09 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 2dfe n PRO 13 Cb 0.29 -2.29 0.20 0.00 -0.04 0.00 0.00 33.50 31.66 2dfe n PRO 13 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dfe n VAL 14 N -3.10 0.83 -5.03 0.52 3.14 -0.65 -4.94 118.33 109.09 2dfe n VAL 14 Ca 0.13 -0.91 -0.32 0.00 -2.96 0.00 0.00 64.34 60.27 2dfe n VAL 14 Cb 0.50 0.65 -0.14 0.00 -1.06 0.00 0.00 33.84 33.79 2dfe n VAL 14 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dfe s ILE 15 N -1.07 2.71 0.00 1.55 1.01 -1.24 -2.17 121.20 121.99 2dfe s ILE 15 Ca 0.32 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2dfe s ILE 15 Cb 0.17 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2dfe s ILE 15 CO 0.23 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.37 2dfe n GLY 16 N 2.39 -1.12 3.88 6.18 0.00 -0.60 -4.98 105.19 110.94 2dfe n GLY 16 Ca -0.17 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 2dfe n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dfe s PRO 17 N -1.33 2.31 0.01 1.61 0.04 -1.26 -4.26 135.00 132.11 2dfe s PRO 17 Ca 0.00 0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.38 2dfe s PRO 17 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2dfe s PRO 17 CO 0.00 -1.39 -0.16 1.41 0.04 0.00 0.00 177.00 176.90 2dfe s MET 18 N -5.46 2.23 -0.06 4.56 1.75 0.20 -4.80 119.30 117.72 2dfe s MET 18 Ca 0.60 -0.88 0.05 0.00 -1.25 0.00 0.00 55.69 54.21 2dfe s MET 18 Cb -0.11 -2.27 -0.01 0.00 2.84 0.00 0.00 34.83 35.28 2dfe s MET 18 CO 0.51 0.57 -0.22 0.08 -0.65 0.00 0.00 175.02 175.30 2dfe s VAL 19 N -0.89 1.84 -0.19 10.11 1.01 -0.42 0.64 120.40 132.51 2dfe s VAL 19 Ca 0.14 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2dfe s VAL 19 Cb -0.11 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2dfe s VAL 19 CO 0.04 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 2dfe s ILE 20 N 0.03 1.95 -0.06 2.22 1.01 -0.54 -0.56 121.20 125.24 2dfe s ILE 20 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.63 2dfe s ILE 20 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2dfe s ILE 20 CO 0.04 0.43 -0.10 0.00 0.00 0.00 0.00 174.94 175.31 2dfe s ALA 21 N 1.31 2.82 -0.06 9.38 0.00 -0.65 -1.01 121.76 133.55 2dfe s ALA 21 Ca 0.03 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2dfe s ALA 21 Cb -0.14 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.89 2dfe s ALA 21 CO -0.11 0.55 -0.08 0.00 0.00 0.00 0.00 175.76 176.13 2dfe s ALA 22 N -0.73 1.00 0.21 0.00 0.00 0.55 -2.04 121.76 120.75 2dfe s ALA 22 Ca 0.11 -0.27 0.11 0.00 0.00 0.00 0.00 51.96 51.91 2dfe s ALA 22 Cb -0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2dfe s ALA 22 CO 0.01 -0.06 -0.22 0.14 0.00 0.00 0.00 175.76 175.63 2dfe s VAL 23 N 1.02 2.28 -0.05 0.00 -7.23 0.09 0.36 120.40 116.87 2dfe s VAL 23 Ca -0.09 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 57.98 2dfe s VAL 23 Cb -0.14 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.69 2dfe s VAL 23 CO -0.00 -0.24 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.78 2dfe s VAL 24 N -1.99 0.77 -0.00 1.32 1.01 0.63 -1.06 120.40 121.08 2dfe s VAL 24 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2dfe s VAL 24 Cb -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.58 2dfe s VAL 24 CO 0.11 0.27 -0.02 0.54 0.00 0.00 0.00 175.10 175.99 2dfe s VAL 25 N 0.66 0.19 0.34 2.92 0.11 0.65 -0.32 120.40 124.95 2dfe s VAL 25 Ca -0.11 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.57 2dfe s VAL 25 Cb -0.14 -0.18 -0.10 0.00 -1.53 0.00 0.00 36.38 34.43 2dfe s VAL 25 CO 0.01 0.06 1.34 -0.62 -3.33 0.00 0.00 175.10 172.56 2dfe s ASP 26 N 0.02 6.69 0.49 3.54 -1.08 -1.26 -1.35 116.67 123.72 2dfe s ASP 26 Ca 0.00 2.75 0.26 0.00 -0.52 0.00 0.00 52.55 55.05 2dfe s ASP 26 Cb -0.02 -2.65 1.34 0.00 -1.46 0.00 0.00 42.92 40.12 2dfe s ASP 26 CO -0.00 -0.60 1.88 -0.08 0.52 0.00 0.00 175.17 176.89 2dfe h GLU 27 N 3.29 0.14 0.00 4.34 4.81 -1.39 0.40 114.58 126.18 2dfe h GLU 27 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2dfe h GLU 27 Cb 1.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2dfe h GLU 27 CO 0.65 0.09 0.00 0.09 -0.73 0.00 0.00 179.01 179.11 2dfe n ASN 28 N -4.37 0.75 -0.39 1.04 5.03 -1.26 -2.66 115.26 113.39 2dfe n ASN 28 Ca 0.18 0.64 0.10 0.00 0.87 0.00 0.00 54.58 56.37 2dfe n ASN 28 Cb 0.84 -0.82 -0.02 0.00 -1.02 0.00 0.00 39.78 38.77 2dfe n ASN 28 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2dfe n SER 29 N -2.28 1.78 -0.23 6.41 7.64 0.14 -4.57 113.62 122.50 2dfe n SER 29 Ca 0.03 -1.39 0.03 0.00 1.01 0.00 0.00 58.87 58.56 2dfe n SER 29 Cb 0.30 0.56 0.14 0.00 -1.01 0.00 0.00 64.21 64.19 2dfe n SER 29 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dfe h LEU 30 N 1.93 -0.28 -1.09 -3.43 3.38 -1.27 -1.84 115.31 112.71 2dfe h LEU 30 Ca 0.00 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.36 2dfe h LEU 30 Cb 0.67 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 2dfe h LEU 30 CO 0.00 -0.14 0.61 -0.65 0.09 0.00 0.00 178.44 178.36 2dfe h PRO 31 N 0.13 0.62 -0.85 1.13 0.11 -1.81 -0.57 132.00 130.76 2dfe h PRO 31 Ca 0.38 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 66.67 2dfe h PRO 31 Cb 0.64 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.56 2dfe h PRO 31 CO -0.59 0.41 0.59 0.87 -0.21 0.00 0.00 178.00 179.06 2dfe h LYS 32 N 0.64 0.20 -0.32 1.05 1.57 -1.66 -0.58 116.57 117.47 2dfe h LYS 32 Ca 0.59 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.28 2dfe h LYS 32 Cb 1.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2dfe h LYS 32 CO -0.38 0.13 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.44 2dfe h LEU 33 N 0.21 0.66 -0.94 2.94 3.38 -1.22 -2.79 115.31 117.54 2dfe h LEU 33 Ca 0.43 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2dfe h LEU 33 Cb 1.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2dfe h LEU 33 CO -0.09 0.90 -0.51 -0.33 0.09 0.00 0.00 178.44 178.51 2dfe h GLU 34 N 0.41 0.00 0.00 1.13 5.08 -1.24 -2.40 114.58 117.56 2dfe h GLU 34 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2dfe h GLU 34 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2dfe h GLU 34 CO 0.04 0.51 -0.15 0.93 -1.00 0.00 0.00 179.01 179.34 2dfe h GLU 35 N 0.00 0.00 -0.00 2.33 5.08 -1.09 0.19 114.58 121.09 2dfe h GLU 35 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dfe h GLU 35 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2dfe h GLU 35 CO 0.07 0.15 -0.18 1.28 -1.00 0.00 0.00 179.01 179.32 2dfe n LEU 36 N -3.79 0.62 -3.85 1.33 4.77 -0.92 -4.94 117.00 110.23 2dfe n LEU 36 Ca -0.02 -0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 2dfe n LEU 36 Cb 0.25 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2dfe n LEU 36 CO 0.32 0.12 0.10 0.29 -1.33 0.00 0.00 177.39 176.88 2dfe n LYS 37 N -0.93 -5.71 -0.34 3.23 4.76 0.68 -4.88 118.16 114.98 2dfe n LYS 37 Ca 0.13 0.63 0.10 0.00 -2.87 0.00 0.00 58.31 56.29 2dfe n LYS 37 Cb 0.31 -5.49 0.29 0.00 -1.84 0.00 0.00 35.03 28.30 2dfe n LYS 37 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2dfe h VAL 38 N -2.12 0.86 0.00 -0.18 -1.51 -1.78 -1.52 116.25 109.99 2dfe h VAL 38 Ca -0.58 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 2dfe h VAL 38 Cb 1.37 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 2dfe h VAL 38 CO 0.64 0.16 0.00 0.54 -1.23 0.00 0.00 177.57 177.68 2dfe n ARG 39 N -4.63 0.02 -2.73 5.19 1.74 -1.26 -2.58 116.66 112.41 2dfe n ARG 39 Ca 0.19 0.35 -0.20 0.00 -0.77 0.00 0.00 57.85 57.42 2dfe n ARG 39 Cb 0.43 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2dfe n ARG 39 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2dfe n ASP 40 N -1.38 3.10 -0.08 0.55 2.03 -0.57 -4.79 116.55 115.41 2dfe n ASP 40 Ca 0.01 -3.30 0.03 0.00 0.52 0.00 0.00 54.79 52.04 2dfe n ASP 40 Cb 0.03 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 2dfe n ASP 40 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dfe n SER 41 N -0.19 0.65 0.27 1.67 3.41 -1.07 -4.59 113.62 113.77 2dfe n SER 41 Ca 0.26 -0.82 0.18 0.00 -0.26 0.00 0.00 58.87 58.23 2dfe n SER 41 Cb 0.66 0.71 0.93 0.00 -0.26 0.00 0.00 64.21 66.24 2dfe n SER 41 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2dfe h LYS 42 N 0.38 0.00 0.00 4.33 1.57 -1.86 -1.32 116.57 119.66 2dfe h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dfe h LYS 42 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2dfe h LYS 42 CO 0.00 0.00 -0.66 1.57 -0.57 0.00 0.00 179.45 179.79 2dfe h LYS 43 N 0.00 0.00 -7.16 3.15 2.10 -1.99 -3.47 116.57 109.20 2dfe h LYS 43 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 2dfe h LYS 43 Cb 0.11 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.56 2dfe h LYS 43 CO 0.00 0.00 0.40 -0.51 -2.00 0.00 0.00 179.45 177.34 2dfe s LEU 44 N -4.64 3.45 0.67 7.07 1.43 -0.50 -5.02 118.68 121.14 2dfe s LEU 44 Ca 0.05 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 2dfe s LEU 44 Cb 0.12 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 2dfe s LEU 44 CO 0.73 -1.80 1.05 0.42 0.23 0.00 0.00 176.35 176.98 2dfe s THR 45 N -2.03 4.29 0.23 5.49 -4.23 -1.26 -4.80 115.64 113.34 2dfe s THR 45 Ca 0.72 0.75 -0.06 0.00 -1.18 0.00 0.00 61.69 61.91 2dfe s THR 45 Cb -0.26 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.22 2dfe s THR 45 CO 0.40 -0.97 1.69 -0.65 -0.54 0.00 0.00 174.62 174.55 2dfe h PRO 46 N -0.56 0.27 -0.67 3.99 0.11 -1.98 0.61 132.00 133.76 2dfe h PRO 46 Ca -0.44 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2dfe h PRO 46 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2dfe h PRO 46 CO 0.59 0.18 0.13 0.87 -0.21 0.00 0.00 178.00 179.56 2dfe h LYS 47 N 0.28 1.08 0.00 1.05 1.57 -1.99 0.41 116.57 118.97 2dfe h LYS 47 Ca 0.39 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2dfe h LYS 47 Cb 0.63 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2dfe h LYS 47 CO -0.48 0.98 -0.43 -0.09 -0.57 0.00 0.00 179.45 178.86 2dfe h ARG 48 N 1.02 0.00 -0.01 3.15 2.43 -1.64 -1.97 114.38 117.37 2dfe h ARG 48 Ca 0.21 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.18 2dfe h ARG 48 Cb 0.40 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2dfe h ARG 48 CO 0.01 0.43 -0.87 -0.09 -1.51 0.00 0.00 179.97 177.94 2dfe h ARG 49 N 0.00 0.27 -0.48 0.20 2.43 -0.37 -2.45 114.38 113.98 2dfe h ARG 49 Ca -0.00 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 2dfe h ARG 49 Cb 0.84 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 2dfe h ARG 49 CO 0.06 0.98 0.30 1.49 -1.51 0.00 0.00 179.97 181.29 2dfe h GLU 50 N 0.16 0.58 0.13 0.20 4.57 -0.42 0.95 114.58 120.76 2dfe h GLU 50 Ca -0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2dfe h GLU 50 Cb 1.49 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2dfe h GLU 50 CO 0.14 0.39 -0.06 0.87 -1.18 0.00 0.00 179.01 179.16 2dfe h LYS 51 N 0.60 -0.17 -1.01 1.92 1.79 -1.29 -2.60 116.57 115.82 2dfe h LYS 51 Ca 0.19 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.81 2dfe h LYS 51 Cb -0.01 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.58 2dfe h LYS 51 CO -0.07 -0.02 0.63 1.25 -1.08 0.00 0.00 179.45 180.16 2dfe h LEU 52 N -0.29 0.89 0.04 2.94 6.46 -0.98 -1.33 115.31 123.05 2dfe h LEU 52 Ca -0.02 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2dfe h LEU 52 Cb 0.23 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2dfe h LEU 52 CO 0.03 0.44 -0.19 0.15 -0.62 0.00 0.00 178.44 178.24 2dfe h PHE 53 N 0.94 -0.51 -0.07 1.25 3.57 -0.60 -0.70 116.94 120.82 2dfe h PHE 53 Ca 0.52 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 2dfe h PHE 53 Cb 0.60 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2dfe h PHE 53 CO -0.00 -0.28 -0.14 -0.91 -2.23 0.00 0.00 178.31 174.75 2dfe h ASN 54 N -0.33 0.10 -0.32 0.41 2.35 -0.94 -2.41 115.58 114.44 2dfe h ASN 54 Ca 0.05 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 2dfe h ASN 54 Cb 0.39 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2dfe h ASN 54 CO -0.15 0.25 -0.39 -0.33 -1.65 0.00 0.00 177.43 175.16 2dfe h GLU 55 N 0.11 0.82 -0.99 0.81 5.08 -0.63 -3.20 114.58 116.58 2dfe h GLU 55 Ca 0.02 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2dfe h GLU 55 Cb 0.31 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2dfe h GLU 55 CO 0.02 1.10 0.64 0.82 -1.00 0.00 0.00 179.01 180.59 2dfe h ILE 56 N 0.60 1.26 -0.18 3.13 2.04 -0.66 -1.88 117.51 121.82 2dfe h ILE 56 Ca 0.04 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.44 2dfe h ILE 56 Cb 0.98 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2dfe h ILE 56 CO 0.09 0.25 0.12 -0.07 0.00 0.00 0.00 178.15 178.55 2dfe h LEU 57 N 1.35 0.10 -2.23 1.44 3.38 -1.48 -1.89 115.31 115.98 2dfe h LEU 57 Ca 0.36 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2dfe h LEU 57 Cb -0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2dfe h LEU 57 CO -0.08 0.07 -0.06 1.23 0.09 0.00 0.00 178.44 179.70 2dfe h GLY 58 N 0.12 0.00 -0.23 0.83 0.00 -1.41 -2.93 103.07 99.46 2dfe h GLY 58 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2dfe h GLY 58 CO -0.01 0.00 -0.80 3.33 0.00 0.00 0.00 176.54 179.06 2dfe n VAL 59 N -3.51 0.00 -3.06 4.60 0.24 -0.72 -4.99 118.33 110.89 2dfe n VAL 59 Ca -0.02 -0.10 -0.36 0.00 -2.04 0.00 0.00 64.34 61.82 2dfe n VAL 59 Cb 0.17 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 2dfe n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2dfe s LEU 60 N -2.78 4.35 0.16 1.34 1.43 -1.11 -4.72 118.68 117.36 2dfe s LEU 60 Ca 0.10 1.47 0.10 0.00 -1.03 0.00 0.00 54.13 54.77 2dfe s LEU 60 Cb 0.15 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 2dfe s LEU 60 CO 0.73 0.03 1.29 0.44 0.23 0.00 0.00 176.35 179.07 2dfe h ASP 61 N 3.42 0.00 -5.03 2.29 3.45 -1.00 -3.48 116.42 116.06 2dfe h ASP 61 Ca -0.48 0.00 0.22 0.00 0.43 0.00 0.00 57.03 57.21 2dfe h ASP 61 Cb 1.19 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.83 2dfe h ASP 61 CO 0.65 0.84 0.67 -0.62 -1.57 0.00 0.00 179.24 179.21 2dfe s ASP 62 N -6.59 -0.17 0.05 6.45 2.15 -1.11 -4.93 116.67 112.51 2dfe s ASP 62 Ca 0.02 -0.14 -0.27 0.00 0.43 0.00 0.00 52.55 52.58 2dfe s ASP 62 Cb 0.09 0.29 0.09 0.00 -0.30 0.00 0.00 42.92 43.09 2dfe s ASP 62 CO 0.80 -0.50 0.90 -0.72 -0.17 0.00 0.00 175.17 175.47 2dfe s TYR 63 N -2.79 -0.29 -0.06 -5.34 -0.85 -1.26 -0.27 117.35 106.49 2dfe s TYR 63 Ca 0.10 0.11 -0.05 0.00 -0.52 0.00 0.00 57.07 56.71 2dfe s TYR 63 Cb 0.01 0.57 0.02 0.00 0.38 0.00 0.00 41.96 42.93 2dfe s TYR 63 CO -0.04 -0.64 0.16 0.08 -1.52 0.00 0.00 175.55 173.59 2dfe s VAL 64 N -3.20 -0.01 -0.12 -3.49 1.01 0.16 -4.98 120.40 109.77 2dfe s VAL 64 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2dfe s VAL 64 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2dfe s VAL 64 CO -0.06 0.01 -0.12 -0.63 0.00 0.00 0.00 175.10 174.30 2dfe s ILE 65 N 0.22 1.35 -0.26 2.22 1.01 -1.26 -0.33 121.20 124.16 2dfe s ILE 65 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 2dfe s ILE 65 Cb -0.02 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.18 2dfe s ILE 65 CO -0.01 0.42 -0.02 -0.76 0.00 0.00 0.00 174.94 174.57 2dfe s LEU 66 N 1.41 3.32 -0.48 2.97 1.43 -0.18 -5.00 118.68 122.15 2dfe s LEU 66 Ca 0.01 -0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 2dfe s LEU 66 Cb -0.13 -1.73 0.05 0.00 0.03 0.00 0.00 46.19 44.41 2dfe s LEU 66 CO -0.07 -0.13 0.55 -0.70 0.23 0.00 0.00 176.35 176.22 2dfe s GLU 67 N 1.39 3.10 -0.54 1.70 2.12 -1.26 -1.47 118.70 123.73 2dfe s GLU 67 Ca 0.01 -0.91 -0.21 0.00 0.36 0.00 0.00 54.97 54.22 2dfe s GLU 67 Cb -0.16 -4.07 0.06 0.00 0.26 0.00 0.00 34.13 30.22 2dfe s GLU 67 CO -0.03 -1.10 0.74 -0.51 -0.54 0.00 0.00 175.26 173.83 2dfe s LEU 68 N 2.36 4.75 0.65 2.70 1.43 0.21 -4.94 118.68 125.83 2dfe s LEU 68 Ca 0.13 -0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 2dfe s LEU 68 Cb -0.19 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 2dfe s LEU 68 CO 0.12 -1.05 1.26 -2.16 0.23 0.00 0.00 176.35 174.75 2dfe s PRO 69 N 3.09 2.57 0.44 1.29 0.04 -1.26 -0.63 135.00 140.54 2dfe s PRO 69 Ca 0.19 1.97 0.17 0.00 0.04 0.00 0.00 61.00 63.38 2dfe s PRO 69 Cb -0.18 -1.86 1.11 0.00 0.04 0.00 0.00 34.50 33.61 2dfe s PRO 69 CO 0.13 -1.56 1.94 -1.00 0.04 0.00 0.00 177.00 176.54 2dfe h PRO 70 N 0.48 0.34 -0.04 0.56 0.13 -1.86 -2.19 132.00 129.41 2dfe h PRO 70 Ca -0.50 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2dfe h PRO 70 Cb 1.32 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2dfe h PRO 70 CO 0.53 0.22 0.21 -0.44 -0.23 0.00 0.00 178.00 178.30 2dfe h ASP 71 N 0.35 0.00 -0.01 1.44 3.32 -1.83 -0.49 116.42 119.19 2dfe h ASP 71 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2dfe h ASP 71 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2dfe h ASP 71 CO -0.10 0.00 -0.03 0.52 -1.72 0.00 0.00 179.24 177.91 2dfe n VAL 72 N -3.11 0.00 -2.92 -1.35 0.31 -0.83 -4.65 118.33 105.78 2dfe n VAL 72 Ca -0.01 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 2dfe n VAL 72 Cb 0.28 1.23 -0.05 0.00 -0.91 0.00 0.00 33.84 34.40 2dfe n VAL 72 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2dfe s ILE 73 N -1.06 4.59 0.00 2.52 1.01 -0.28 -4.14 121.20 123.84 2dfe s ILE 73 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2dfe s ILE 73 Cb 0.10 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2dfe s ILE 73 CO 0.17 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 174.94 2dfe n GLY 74 N 4.99 0.00 2.54 6.18 0.00 -1.26 -0.40 105.19 117.23 2dfe n GLY 74 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2dfe n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dfe n SER 75 N 0.00 7.09 -2.10 1.61 7.64 -1.26 -4.75 113.62 121.85 2dfe n SER 75 Ca 0.00 -2.91 -0.04 0.00 1.01 0.00 0.00 58.87 56.93 2dfe n SER 75 Cb 0.00 -1.49 0.01 0.00 -1.01 0.00 0.00 64.21 61.72 2dfe n SER 75 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2dfe n ARG 76 N 3.38 0.54 -3.77 1.43 0.00 -1.26 -3.28 116.66 113.70 2dfe n ARG 76 Ca 0.62 -1.09 -0.35 0.00 -0.00 0.00 0.00 57.85 57.02 2dfe n ARG 76 Cb 0.28 1.40 -0.11 0.00 -0.00 0.00 0.00 32.46 34.03 2dfe n ARG 76 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2dfe s GLU 77 N -2.04 2.39 0.28 2.89 8.01 -1.26 -4.93 118.70 124.03 2dfe s GLU 77 Ca 0.10 -2.44 0.00 0.00 0.01 0.00 0.00 54.97 52.64 2dfe s GLU 77 Cb -0.02 -3.64 0.00 0.00 -4.31 0.00 0.00 34.13 26.16 2dfe s GLU 77 CO 0.05 -1.15 0.00 0.41 0.01 0.00 0.00 175.26 174.59 2dfe n GLY 78 N 3.58 1.02 3.69 -1.39 0.00 -1.26 -4.79 105.19 106.04 2dfe n GLY 78 Ca 0.06 0.52 -0.44 0.00 0.00 0.00 0.00 46.02 46.17 2dfe n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dfe n THR 79 N 0.00 0.23 0.56 2.61 -2.24 -1.26 -4.84 114.28 109.33 2dfe n THR 79 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2dfe n THR 79 Cb 0.00 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.29 2dfe n THR 79 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2dfe n LEU 80 N 4.89 2.81 -0.03 3.22 7.94 -1.26 -3.99 117.00 130.59 2dfe n LEU 80 Ca 0.18 -1.36 -0.17 0.00 -1.11 0.00 0.00 56.01 53.54 2dfe n LEU 80 Cb 0.34 -0.51 -0.13 0.00 0.53 0.00 0.00 43.42 43.65 2dfe n LEU 80 CO 0.66 0.49 0.15 -0.55 -1.11 0.00 0.00 177.39 177.02 2dfe h ASN 81 N 0.63 0.18 0.06 1.96 -0.00 -1.93 -3.17 115.58 113.30 2dfe h ASN 81 Ca 0.00 -0.94 0.01 0.00 -0.00 0.00 0.00 56.30 55.38 2dfe h ASN 81 Cb 0.81 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.05 2dfe h ASN 81 CO 0.00 1.21 -0.14 -0.33 -0.00 0.00 0.00 177.43 178.17 2dfe h GLU 82 N -0.75 -0.25 -0.59 4.14 4.39 -1.86 0.14 114.58 119.80 2dfe h GLU 82 Ca -0.10 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.70 2dfe h GLU 82 Cb 1.28 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.92 2dfe h GLU 82 CO 0.04 -0.17 0.23 0.35 -1.16 0.00 0.00 179.01 178.30 2dfe h PHE 83 N -0.26 0.41 -0.05 4.33 3.57 -1.71 0.39 116.94 123.62 2dfe h PHE 83 Ca 0.03 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.34 2dfe h PHE 83 Cb 0.29 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2dfe h PHE 83 CO -0.17 0.13 -0.86 0.93 -2.23 0.00 0.00 178.31 176.11 2dfe h GLU 84 N 0.43 0.50 -0.46 1.11 5.08 -1.46 -2.07 114.58 117.72 2dfe h GLU 84 Ca 0.29 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2dfe h GLU 84 Cb 0.32 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2dfe h GLU 84 CO -0.27 1.11 0.12 0.28 -1.00 0.00 0.00 179.01 179.25 2dfe h VAL 85 N 0.31 1.23 0.09 3.13 2.07 -0.43 0.28 116.25 122.94 2dfe h VAL 85 Ca -0.07 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2dfe h VAL 85 Cb 1.48 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2dfe h VAL 85 CO 0.16 0.29 -0.04 -0.08 0.02 0.00 0.00 177.57 177.91 2dfe h GLU 86 N 0.61 -0.11 -0.01 1.57 4.81 -0.92 -2.40 114.58 118.13 2dfe h GLU 86 Ca 0.15 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.18 2dfe h GLU 86 Cb 0.31 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2dfe h GLU 86 CO 0.00 -0.03 -0.86 -0.91 -0.73 0.00 0.00 179.01 176.47 2dfe h ASN 87 N -0.17 0.34 -0.53 1.04 2.35 -1.29 -2.28 115.58 115.04 2dfe h ASN 87 Ca -0.01 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2dfe h ASN 87 Cb 0.13 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2dfe h ASN 87 CO 0.02 1.05 0.32 -0.26 -1.65 0.00 0.00 177.43 176.91 2dfe h PHE 88 N 0.15 0.70 -0.42 1.19 -1.00 -0.45 -0.94 116.94 116.18 2dfe h PHE 88 Ca -0.05 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 2dfe h PHE 88 Cb 1.48 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 2dfe h PHE 88 CO 0.04 0.49 -0.13 0.00 -1.61 0.00 0.00 178.31 177.10 2dfe h ALA 89 N 1.15 0.97 -0.06 2.45 0.00 -1.40 -1.59 119.26 120.79 2dfe h ALA 89 Ca 0.19 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2dfe h ALA 89 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2dfe h ALA 89 CO -0.04 0.61 -0.07 -0.22 0.00 0.00 0.00 179.25 179.53 2dfe h LYS 90 N 0.70 -0.09 -0.24 0.00 3.64 -0.81 0.27 116.57 120.04 2dfe h LYS 90 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2dfe h LYS 90 Cb 0.61 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2dfe h LYS 90 CO 0.04 -0.06 0.13 0.00 -2.27 0.00 0.00 179.45 177.29 2dfe h ALA 91 N 0.95 0.29 -0.82 5.00 0.00 -1.01 -2.04 119.26 121.63 2dfe h ALA 91 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2dfe h ALA 91 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2dfe h ALA 91 CO -0.11 -0.27 0.45 -0.07 0.00 0.00 0.00 179.25 179.25 2dfe h LEU 92 N 0.27 1.02 -0.58 0.00 3.38 -0.94 -1.74 115.31 116.73 2dfe h LEU 92 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dfe h LEU 92 Cb 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2dfe h LEU 92 CO -0.05 0.82 0.00 0.59 0.09 0.00 0.00 178.44 179.89 2dfe n ASN 93 N -4.40 0.54 0.01 -0.43 3.02 0.92 -2.55 115.26 112.37 2dfe n ASN 93 Ca 0.08 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 2dfe n ASN 93 Cb 0.09 -0.75 0.32 0.00 -0.61 0.00 0.00 39.78 38.83 2dfe n ASN 93 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dfe n SER 94 N -2.10 0.42 -4.77 6.41 7.64 -0.66 -4.93 113.62 115.63 2dfe n SER 94 Ca 0.02 -0.06 -0.37 0.00 1.01 0.00 0.00 58.87 59.47 2dfe n SER 94 Cb 0.22 0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.49 2dfe n SER 94 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dfe s LEU 95 N -3.12 4.05 0.01 -3.43 1.43 -1.05 -4.96 118.68 111.61 2dfe s LEU 95 Ca 0.11 2.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.52 2dfe s LEU 95 Cb 0.17 -4.19 -0.28 0.00 0.03 0.00 0.00 46.19 41.93 2dfe s LEU 95 CO 0.67 -0.89 0.89 0.11 0.23 0.00 0.00 176.35 177.35 2dfe h LYS 96 N 2.16 0.25 -4.40 1.70 1.57 -1.91 -3.42 116.57 112.53 2dfe h LYS 96 Ca -0.49 -0.44 -0.73 0.00 -1.87 0.00 0.00 60.65 57.12 2dfe h LYS 96 Cb 1.25 0.16 -0.24 0.00 0.08 0.00 0.00 32.23 33.48 2dfe h LYS 96 CO 0.61 1.13 -0.40 0.08 -0.57 0.00 0.00 179.45 180.30 2dfe s VAL 97 N -2.62 4.94 -0.04 0.50 1.01 -1.26 -5.05 120.40 117.87 2dfe s VAL 97 Ca -0.08 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 2dfe s VAL 97 Cb 0.07 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2dfe s VAL 97 CO 0.86 -0.48 1.30 -0.54 0.00 0.00 0.00 175.10 176.24 2dfe s LYS 98 N 1.59 4.31 0.61 2.72 -0.14 -1.26 -4.96 119.74 122.61 2dfe s LYS 98 Ca 0.04 1.81 -0.12 0.00 -1.36 0.00 0.00 55.97 56.34 2dfe s LYS 98 Cb -0.23 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 2dfe s LYS 98 CO 0.06 -0.54 1.03 -1.25 -0.76 0.00 0.00 175.35 173.89 2dfe s PRO 99 N 2.47 3.59 -0.19 -1.68 0.04 -1.26 -4.81 135.00 133.17 2dfe s PRO 99 Ca 0.60 0.78 0.14 0.00 0.04 0.00 0.00 61.00 62.56 2dfe s PRO 99 Cb -0.27 -2.08 -0.24 0.00 0.04 0.00 0.00 34.50 31.95 2dfe s PRO 99 CO 0.23 -0.58 0.11 -0.25 0.04 0.00 0.00 177.00 176.56 2dfe n ASP 100 N -2.66 0.48 -4.01 6.66 9.92 0.14 -4.71 116.55 122.37 2dfe n ASP 100 Ca 0.06 0.04 -0.23 0.00 -0.53 0.00 0.00 54.79 54.13 2dfe n ASP 100 Cb 0.54 0.59 -0.16 0.00 -0.64 0.00 0.00 41.12 41.45 2dfe n ASP 100 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dfe s VAL 101 N -2.51 0.99 -0.14 2.53 1.01 -1.16 -1.65 120.40 119.46 2dfe s VAL 101 Ca -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2dfe s VAL 101 Cb 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2dfe s VAL 101 CO 0.79 0.32 -0.17 -0.63 0.00 0.00 0.00 175.10 175.41 2dfe s ILE 102 N 0.54 1.75 -0.17 2.22 1.01 -0.53 -1.11 121.20 124.91 2dfe s ILE 102 Ca -0.11 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2dfe s ILE 102 Cb -0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 2dfe s ILE 102 CO 0.02 0.49 0.17 -0.31 0.00 0.00 0.00 174.94 175.31 2dfe s TYR 103 N 1.16 3.47 0.01 3.97 1.51 0.55 -0.51 117.35 127.50 2dfe s TYR 103 Ca -0.01 0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 56.48 2dfe s TYR 103 Cb -0.14 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 2dfe s TYR 103 CO -0.07 0.38 -0.01 0.00 -1.11 0.00 0.00 175.55 174.75 2dfe s ALA 104 N 0.05 0.04 0.05 3.71 0.00 0.10 -2.04 121.76 123.67 2dfe s ALA 104 Ca 0.11 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2dfe s ALA 104 Cb -0.12 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2dfe s ALA 104 CO 0.01 -0.07 1.09 0.34 0.00 0.00 0.00 175.76 177.12 2dfe s ASP 105 N -0.66 7.24 -0.27 0.00 -1.08 -1.14 -0.89 116.67 119.87 2dfe s ASP 105 Ca -0.07 1.86 -0.03 0.00 -0.52 0.00 0.00 52.55 53.80 2dfe s ASP 105 Cb -0.05 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2dfe s ASP 105 CO -0.00 -0.34 -0.02 0.00 0.52 0.00 0.00 175.17 175.32 2dfe s ALA 106 N 0.88 2.79 0.14 3.66 0.00 0.62 -4.78 121.76 125.06 2dfe s ALA 106 Ca 0.55 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2dfe s ALA 106 Cb -0.26 -1.82 -0.10 0.00 0.00 0.00 0.00 23.12 20.94 2dfe s ALA 106 CO 0.29 -0.91 1.31 0.00 0.00 0.00 0.00 175.76 176.45 2dfe h ALA 107 N 8.05 0.41 -2.68 0.00 0.00 -1.96 -3.35 119.26 119.74 2dfe h ALA 107 Ca -0.30 -0.80 -0.53 0.00 0.00 0.00 0.00 54.91 53.28 2dfe h ALA 107 Cb 1.10 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.86 2dfe h ALA 107 CO 0.57 1.01 0.76 0.34 0.00 0.00 0.00 179.25 181.93 2dfe s ASP 108 N -6.91 6.71 0.56 0.00 2.15 -1.26 -4.89 116.67 113.03 2dfe s ASP 108 Ca -0.02 2.56 0.27 0.00 0.43 0.00 0.00 52.55 55.79 2dfe s ASP 108 Cb 0.10 -2.61 1.50 0.00 -0.30 0.00 0.00 42.92 41.61 2dfe s ASP 108 CO 0.83 -0.69 2.01 -0.37 -0.17 0.00 0.00 175.17 176.79 2dfe h VAL 109 N 3.78 0.56 -3.35 1.11 -1.51 -2.05 -3.28 116.25 111.52 2dfe h VAL 109 Ca -0.44 0.00 -0.76 0.00 -1.23 0.00 0.00 66.70 64.26 2dfe h VAL 109 Cb 1.21 0.75 -0.24 0.00 -2.13 0.00 0.00 31.29 30.88 2dfe h VAL 109 CO 0.82 0.00 0.41 -0.62 -1.23 0.00 0.00 177.57 176.95 2dfe s ASP 110 N -5.86 6.84 0.18 4.19 3.68 -1.26 -4.90 116.67 119.54 2dfe s ASP 110 Ca -0.05 -2.71 -0.15 0.00 2.13 0.00 0.00 52.55 51.78 2dfe s ASP 110 Cb 0.17 -2.27 0.14 0.00 -1.45 0.00 0.00 42.92 39.52 2dfe s ASP 110 CO 0.62 -0.65 1.69 -0.33 0.13 0.00 0.00 175.17 176.63 2dfe h GLU 111 N 7.80 0.09 -0.50 4.34 5.08 -1.89 -2.40 114.58 127.10 2dfe h GLU 111 Ca 0.15 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2dfe h GLU 111 Cb 1.00 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 2dfe h GLU 111 CO 0.91 0.06 0.15 1.49 -1.00 0.00 0.00 179.01 180.62 2dfe h GLU 112 N 0.09 0.31 -0.28 2.33 4.81 -1.90 -1.38 114.58 118.55 2dfe h GLU 112 Ca 0.22 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2dfe h GLU 112 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2dfe h GLU 112 CO -0.38 0.20 0.18 -0.09 -0.73 0.00 0.00 179.01 178.19 2dfe h ARG 113 N 0.31 0.38 -0.43 1.92 2.43 -1.88 -1.55 114.38 115.58 2dfe h ARG 113 Ca 0.25 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 2dfe h ARG 113 Cb 0.29 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 2dfe h ARG 113 CO -0.27 0.29 0.13 0.35 -1.51 0.00 0.00 179.97 178.96 2dfe h PHE 114 N 0.37 0.23 -0.70 2.20 3.57 -0.93 0.14 116.94 121.82 2dfe h PHE 114 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2dfe h PHE 114 Cb -0.00 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2dfe h PHE 114 CO -0.05 0.08 0.34 0.00 -2.23 0.00 0.00 178.31 176.44 2dfe h ALA 115 N 1.29 0.90 0.16 2.41 0.00 -1.07 -0.67 119.26 122.27 2dfe h ALA 115 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dfe h ALA 115 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dfe h ALA 115 CO -0.22 0.46 -0.08 -0.09 0.00 0.00 0.00 179.25 179.32 2dfe h ARG 116 N 0.97 -0.21 -0.95 0.00 2.43 -0.66 -1.27 114.38 114.70 2dfe h ARG 116 Ca 0.24 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2dfe h ARG 116 Cb 0.12 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2dfe h ARG 116 CO -0.03 0.08 0.63 0.93 -1.51 0.00 0.00 179.97 180.06 2dfe h GLU 117 N -0.48 1.21 -0.14 0.20 4.39 -0.69 -2.01 114.58 117.06 2dfe h GLU 117 Ca -0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2dfe h GLU 117 Cb 0.38 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2dfe h GLU 117 CO 0.04 0.80 0.03 1.25 -1.16 0.00 0.00 179.01 179.97 2dfe h LEU 118 N 1.24 0.22 -1.02 1.33 5.85 -1.07 -3.10 115.31 118.75 2dfe h LEU 118 Ca 0.37 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2dfe h LEU 118 Cb -0.06 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 2dfe h LEU 118 CO -0.10 0.40 0.64 1.23 -0.34 0.00 0.00 178.44 180.27 2dfe h GLY 119 N 0.03 1.58 2.00 3.75 0.00 -0.73 -1.06 103.07 108.64 2dfe h GLY 119 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2dfe h GLY 119 CO 0.00 0.24 0.00 -1.84 0.00 0.00 0.00 176.54 174.94 2dfe n GLU 120 N -4.56 0.05 -0.23 4.80 0.28 -0.80 -2.41 120.64 117.77 2dfe n GLU 120 Ca 0.17 0.24 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 2dfe n GLU 120 Cb 0.28 -1.59 0.25 0.00 1.43 0.00 0.00 31.44 31.81 2dfe n GLU 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dfe n ARG 121 N -1.69 2.49 -3.28 3.44 1.74 -0.41 -4.95 116.66 114.00 2dfe n ARG 121 Ca 0.04 -2.27 -0.34 0.00 -0.77 0.00 0.00 57.85 54.50 2dfe n ARG 121 Cb 0.23 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 2dfe n ARG 121 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dfe s LEU 122 N -1.35 4.27 -0.00 0.55 1.43 -1.01 -4.88 118.68 117.68 2dfe s LEU 122 Ca 0.41 1.15 0.11 0.00 -1.03 0.00 0.00 54.13 54.76 2dfe s LEU 122 Cb 0.23 -3.53 0.31 0.00 0.03 0.00 0.00 46.19 43.24 2dfe s LEU 122 CO 0.31 0.01 1.25 0.59 0.23 0.00 0.00 176.35 178.75 2dfe n ASN 123 N 0.45 1.92 -4.03 2.29 3.02 -1.26 -4.86 115.26 112.79 2dfe n ASN 123 Ca -0.02 -2.01 -0.10 0.00 -0.03 0.00 0.00 54.58 52.41 2dfe n ASN 123 Cb 0.52 -0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2dfe n ASN 123 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2dfe s PHE 124 N -1.54 0.59 -0.11 3.10 -0.12 -1.26 -5.16 117.98 113.48 2dfe s PHE 124 Ca 0.24 -0.93 -0.08 0.00 -0.05 0.00 0.00 56.93 56.10 2dfe s PHE 124 Cb 0.12 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2dfe s PHE 124 CO 0.16 -0.70 0.18 -2.00 -0.05 0.00 0.00 175.22 172.80 2dfe s GLU 125 N -4.02 3.54 -0.20 1.99 2.12 -1.26 -5.04 118.70 115.84 2dfe s GLU 125 Ca 0.22 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 2dfe s GLU 125 Cb 0.04 -3.20 0.15 0.00 0.26 0.00 0.00 34.13 31.38 2dfe s GLU 125 CO 0.03 0.75 1.13 0.00 -0.54 0.00 0.00 175.26 176.63 2dfe s ALA 126 N -0.98 -2.00 0.31 6.30 0.00 -1.26 -4.79 121.76 119.34 2dfe s ALA 126 Ca 0.16 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.52 2dfe s ALA 126 Cb -0.13 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.06 2dfe s ALA 126 CO 0.05 -0.34 0.92 -2.00 0.00 0.00 0.00 175.76 174.39 2dfe s GLU 127 N -1.36 4.55 -0.10 0.00 2.56 -0.66 -4.94 118.70 118.76 2dfe s GLU 127 Ca 0.03 1.28 0.04 0.00 0.00 0.00 0.00 54.97 56.32 2dfe s GLU 127 Cb -0.01 -2.81 -0.01 0.00 2.00 0.00 0.00 34.13 33.31 2dfe s GLU 127 CO -0.03 0.29 -0.22 0.08 -0.56 0.00 0.00 175.26 174.83 2dfe s VAL 128 N -1.61 2.29 -0.28 3.70 1.01 -1.26 -1.45 120.40 122.80 2dfe s VAL 128 Ca 0.49 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2dfe s VAL 128 Cb -0.18 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.38 2dfe s VAL 128 CO 0.23 0.56 -0.04 -0.69 0.00 0.00 0.00 175.10 175.16 2dfe s VAL 129 N 0.21 1.99 -0.08 2.92 1.01 0.33 -4.89 120.40 121.89 2dfe s VAL 129 Ca -0.14 -1.75 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 2dfe s VAL 129 Cb -0.17 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2dfe s VAL 129 CO 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 175.10 174.94 2dfe s ALA 130 N 1.13 3.37 -0.03 5.51 0.00 -1.26 0.00 121.76 130.48 2dfe s ALA 130 Ca -0.01 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2dfe s ALA 130 Cb -0.19 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2dfe s ALA 130 CO -0.07 0.60 0.34 0.15 0.00 0.00 0.00 175.76 176.77 2dfe s LYS 131 N -0.99 0.66 0.35 0.00 -0.14 -0.06 -4.74 119.74 114.82 2dfe s LYS 131 Ca 0.14 -0.08 -0.28 0.00 -1.36 0.00 0.00 55.97 54.39 2dfe s LYS 131 Cb -0.11 0.30 -0.10 0.00 -1.68 0.00 0.00 37.83 36.23 2dfe s LYS 131 CO 0.04 -0.17 1.34 -1.01 -0.76 0.00 0.00 175.35 174.79 2dfe s HIS 132 N -1.12 2.91 -0.75 3.18 3.76 -1.26 -0.28 115.29 121.73 2dfe s HIS 132 Ca -0.12 1.36 -0.09 0.00 -0.15 0.00 0.00 55.06 56.06 2dfe s HIS 132 Cb -0.05 -3.75 0.01 0.00 1.11 0.00 0.00 32.58 29.90 2dfe s HIS 132 CO 0.04 -2.14 0.49 0.36 -0.85 0.00 0.00 174.74 172.64 2dfe n LYS 133 N 0.60 -0.94 0.00 1.40 2.85 -1.26 -4.81 118.16 116.00 2dfe n LYS 133 Ca 0.01 0.37 0.13 0.00 -1.05 0.00 0.00 58.31 57.77 2dfe n LYS 133 Cb 0.42 -1.72 0.63 0.00 -0.65 0.00 0.00 35.03 33.71 2dfe n LYS 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dfe n ALA 134 N -2.84 2.30 0.74 0.58 0.00 -1.19 -3.05 120.51 117.05 2dfe n ALA 134 Ca -0.20 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.24 2dfe n ALA 134 Cb 0.51 -1.44 0.49 0.00 0.00 0.00 0.00 19.45 19.01 2dfe n ALA 134 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dfe n ASP 135 N -1.39 0.19 -0.00 0.00 5.75 -1.26 -0.67 116.55 119.17 2dfe n ASP 135 Ca 0.10 0.53 0.10 0.00 -0.01 0.00 0.00 54.79 55.50 2dfe n ASP 135 Cb 0.27 -0.57 -0.12 0.00 -1.03 0.00 0.00 41.12 39.66 2dfe n ASP 135 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2dfe n ASP 136 N -1.69 0.91 -0.07 -1.12 8.00 -1.17 -4.19 116.55 117.22 2dfe n ASP 136 Ca 0.05 -0.92 -0.15 0.00 0.71 0.00 0.00 54.79 54.49 2dfe n ASP 136 Cb 0.30 1.07 -0.05 0.00 -0.02 0.00 0.00 41.12 42.42 2dfe n ASP 136 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2dfe n ILE 137 N -1.54 0.96 -3.55 0.53 5.41 -0.98 -4.98 119.36 115.20 2dfe n ILE 137 Ca 0.03 -0.14 -0.38 0.00 1.00 0.00 0.00 62.75 63.26 2dfe n ILE 137 Cb 0.34 -1.77 -0.11 0.00 -0.71 0.00 0.00 39.64 37.39 2dfe n ILE 137 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2dfe s PHE 138 N -2.33 3.22 0.21 1.39 0.40 0.16 -4.99 117.98 116.04 2dfe s PHE 138 Ca -0.21 0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.16 2dfe s PHE 138 Cb 0.07 -2.42 0.26 0.00 0.51 0.00 0.00 43.02 41.45 2dfe s PHE 138 CO 0.27 -0.19 1.78 -1.35 0.70 0.00 0.00 175.22 176.43 2dfe h PRO 139 N 8.35 0.55 -0.92 0.24 0.11 -1.88 -0.83 132.00 137.62 2dfe h PRO 139 Ca -0.34 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.78 2dfe h PRO 139 Cb 1.18 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 2dfe h PRO 139 CO 0.57 0.36 0.60 -0.24 -0.21 0.00 0.00 178.00 179.09 2dfe h VAL 140 N 0.57 1.13 -0.16 3.15 3.04 -1.94 0.02 116.25 122.06 2dfe h VAL 140 Ca 0.30 -0.38 -0.14 0.00 -1.01 0.00 0.00 66.70 65.47 2dfe h VAL 140 Cb 0.28 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 2dfe h VAL 140 CO -0.23 0.20 -0.51 0.58 -1.01 0.00 0.00 177.57 176.60 2dfe h VAL 141 N 1.12 1.33 -0.47 1.51 2.07 -1.55 -2.81 116.25 117.46 2dfe h VAL 141 Ca 0.38 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 2dfe h VAL 141 Cb 0.08 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2dfe h VAL 141 CO -0.13 0.53 0.07 -1.28 0.02 0.00 0.00 177.57 176.79 2dfe h SER 142 N 0.34 0.75 -0.64 0.57 0.87 -0.07 0.16 113.55 115.52 2dfe h SER 142 Ca 0.01 -0.27 0.09 0.00 -1.23 0.00 0.00 61.79 60.40 2dfe h SER 142 Cb 1.01 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.70 2dfe h SER 142 CO 0.09 0.82 0.28 0.00 -0.53 0.00 0.00 176.83 177.50 2dfe h ALA 143 N 0.95 0.85 -0.70 6.23 0.00 -0.90 -0.70 119.26 124.98 2dfe h ALA 143 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2dfe h ALA 143 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2dfe h ALA 143 CO 0.01 -0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.37 2dfe h ALA 144 N 1.41 0.92 -0.86 0.00 0.00 -1.20 -2.55 119.26 116.98 2dfe h ALA 144 Ca 0.32 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2dfe h ALA 144 Cb 0.35 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2dfe h ALA 144 CO -0.28 0.58 0.56 1.03 0.00 0.00 0.00 179.25 181.15 2dfe h SER 145 N 1.02 0.83 -0.44 0.00 0.87 0.42 -1.90 113.55 114.36 2dfe h SER 145 Ca 0.23 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 2dfe h SER 145 Cb 0.28 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2dfe h SER 145 CO -0.01 0.52 -0.21 0.40 -0.53 0.00 0.00 176.83 177.00 2dfe h ILE 146 N 0.94 1.27 -0.14 2.23 2.04 -0.82 -0.17 117.51 122.86 2dfe h ILE 146 Ca 0.38 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 2dfe h ILE 146 Cb 0.26 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2dfe h ILE 146 CO -0.14 0.46 -0.33 -0.07 0.00 0.00 0.00 178.15 178.07 2dfe h LEU 147 N 0.75 0.29 -0.02 1.44 3.38 -1.16 -2.23 115.31 117.75 2dfe h LEU 147 Ca 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2dfe h LEU 147 Cb 0.78 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2dfe h LEU 147 CO 0.06 0.61 -0.15 0.00 0.09 0.00 0.00 178.44 179.06 2dfe h ALA 148 N 1.41 0.05 -0.34 1.53 0.00 -1.18 -2.87 119.26 117.87 2dfe h ALA 148 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2dfe h ALA 148 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2dfe h ALA 148 CO 0.05 -0.01 0.17 -0.22 0.00 0.00 0.00 179.25 179.25 2dfe h LYS 149 N -0.49 0.35 -0.51 0.00 3.64 -0.98 -0.88 116.57 117.70 2dfe h LYS 149 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2dfe h LYS 149 Cb 0.83 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2dfe h LYS 149 CO 0.03 0.23 0.31 0.28 -2.27 0.00 0.00 179.45 178.03 2dfe h VAL 150 N 0.36 1.15 -0.59 2.00 2.07 -1.51 0.61 116.25 120.34 2dfe h VAL 150 Ca 0.14 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2dfe h VAL 150 Cb 0.04 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2dfe h VAL 150 CO -0.09 0.16 0.38 0.74 0.02 0.00 0.00 177.57 178.78 2dfe h THR 151 N 0.68 1.12 -0.21 2.57 2.02 -1.24 -2.47 112.91 115.38 2dfe h THR 151 Ca 0.18 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 2dfe h THR 151 Cb -0.02 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2dfe h THR 151 CO -0.03 0.14 -0.38 -0.09 0.37 0.00 0.00 175.52 175.53 2dfe h ARG 152 N 0.77 0.63 -0.12 6.66 2.43 -0.84 -2.70 114.38 121.20 2dfe h ARG 152 Ca 0.22 -0.40 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2dfe h ARG 152 Cb -0.05 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2dfe h ARG 152 CO -0.07 1.01 0.09 -0.44 -1.51 0.00 0.00 179.97 179.05 2dfe h ASP 153 N 0.33 0.05 -0.14 -3.80 3.32 -0.75 0.12 116.42 115.54 2dfe h ASP 153 Ca 0.01 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 2dfe h ASP 153 Cb 0.98 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.52 2dfe h ASP 153 CO 0.09 0.04 -0.73 0.03 -1.72 0.00 0.00 179.24 176.94 2dfe h ARG 154 N 0.06 0.78 -0.22 3.56 3.08 -1.37 -1.84 114.38 118.44 2dfe h ARG 154 Ca 0.05 -0.61 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 2dfe h ARG 154 Cb 0.14 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2dfe h ARG 154 CO -0.01 1.22 0.06 0.00 -1.07 0.00 0.00 179.97 180.17 2dfe h ALA 155 N 0.62 0.28 -0.25 0.04 0.00 -0.80 -2.18 119.26 116.97 2dfe h ALA 155 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dfe h ALA 155 Cb 1.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dfe h ALA 155 CO 0.15 -0.08 0.16 0.28 0.00 0.00 0.00 179.25 179.76 2dfe h VAL 156 N 0.17 1.06 -0.90 0.00 2.07 -0.85 -1.55 116.25 116.26 2dfe h VAL 156 Ca 0.07 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.61 2dfe h VAL 156 Cb 0.25 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2dfe h VAL 156 CO -0.00 0.06 0.58 -0.08 0.02 0.00 0.00 177.57 178.15 2dfe h GLU 157 N 0.34 0.71 -0.55 1.57 4.57 -1.22 0.16 114.58 120.15 2dfe h GLU 157 Ca 0.09 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 2dfe h GLU 157 Cb -0.04 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 2dfe h GLU 157 CO -0.02 0.47 -0.07 -0.22 -1.18 0.00 0.00 179.01 177.99 2dfe h LYS 158 N 0.73 1.01 -0.29 1.92 3.64 -0.69 -2.88 116.57 120.02 2dfe h LYS 158 Ca 0.45 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2dfe h LYS 158 Cb 0.67 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2dfe h LYS 158 CO -0.21 1.03 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.87 2dfe h LEU 159 N 0.91 0.44 -0.93 5.20 3.38 0.21 -2.32 115.31 122.20 2dfe h LEU 159 Ca 0.15 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2dfe h LEU 159 Cb 0.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2dfe h LEU 159 CO 0.04 0.55 -0.46 0.11 0.09 0.00 0.00 178.44 178.78 2dfe h LYS 160 N 0.44 0.00 0.00 1.13 1.57 -1.08 0.74 116.57 119.38 2dfe h LYS 160 Ca 0.09 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2dfe h LYS 160 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2dfe h LYS 160 CO 0.02 0.46 -0.65 0.93 -0.57 0.00 0.00 179.45 179.64 2dfe h GLU 161 N 0.00 0.00 0.06 3.15 5.08 -1.22 0.12 114.58 121.77 2dfe h GLU 161 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 2dfe h GLU 161 Cb 0.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2dfe h GLU 161 CO 0.06 0.65 -1.51 0.93 -1.00 0.00 0.00 179.01 178.14 2dfe h GLU 162 N 0.00 0.13 0.00 2.33 5.08 -1.16 -3.41 114.58 117.55 2dfe h GLU 162 Ca -0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2dfe h GLU 162 Cb 1.28 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2dfe h GLU 162 CO 0.08 1.11 -1.03 0.66 -1.00 0.00 0.00 179.01 178.83 2dfe n TYR 163 N -4.03 0.00 -2.16 4.33 4.02 0.23 -5.09 117.16 114.46 2dfe n TYR 163 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 2dfe n TYR 163 Cb 0.84 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 2dfe n TYR 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dfe n GLY 164 N 1.43 0.43 3.56 2.72 0.00 0.41 -4.75 105.19 108.99 2dfe n GLY 164 Ca 0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2dfe n GLY 164 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dfe s GLU 165 N 0.00 2.17 0.00 1.61 2.56 -1.26 -4.49 118.70 119.29 2dfe s GLU 165 Ca 0.00 0.34 0.18 0.00 0.00 0.00 0.00 54.97 55.50 2dfe s GLU 165 Cb 0.00 -4.80 0.01 0.00 2.00 0.00 0.00 34.13 31.34 2dfe s GLU 165 CO 0.00 -3.64 0.96 0.44 -0.56 0.00 0.00 175.26 172.45 2dfe n ILE 166 N 8.11 0.00 -4.07 -3.70 -5.35 -1.26 -4.67 119.36 108.42 2dfe n ILE 166 Ca 0.39 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2dfe n ILE 166 Cb 0.47 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 2dfe n ILE 166 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dfe n GLY 167 N 1.23 -1.19 0.18 3.28 0.00 -1.26 -3.84 105.19 103.59 2dfe n GLY 167 Ca 0.08 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 44.94 2dfe n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dfe h SER 168 N 1.19 0.00 0.00 1.61 4.64 -1.95 -3.48 113.55 115.56 2dfe h SER 168 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dfe h SER 168 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dfe h SER 168 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 2dfe n GLY 169 N 1.15 0.57 3.78 -0.77 0.00 -1.25 -4.90 105.19 103.77 2dfe n GLY 169 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2dfe n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfe s TYR 170 N -2.03 3.87 0.52 1.61 1.51 -1.26 -1.64 117.35 119.92 2dfe s TYR 170 Ca 0.00 1.65 0.41 0.00 -1.01 0.00 0.00 57.07 58.12 2dfe s TYR 170 Cb 0.00 -2.78 2.20 0.00 -0.11 0.00 0.00 41.96 41.26 2dfe s TYR 170 CO 0.00 0.46 2.26 -1.00 -1.11 0.00 0.00 175.55 176.17 2dfe h PRO 171 N 4.09 0.00 -0.01 -1.71 0.13 -1.97 0.70 132.00 133.24 2dfe h PRO 171 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2dfe h PRO 171 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dfe h PRO 171 CO 0.66 0.00 -0.06 -1.13 -0.23 0.00 0.00 178.00 177.24 2dfe n SER 172 N -3.00 0.63 -4.53 1.44 3.41 -1.26 -4.74 113.62 105.57 2dfe n SER 172 Ca -0.02 -0.94 -0.42 0.00 -0.26 0.00 0.00 58.87 57.23 2dfe n SER 172 Cb 0.10 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 2dfe n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dfe s ASP 173 N -2.22 6.31 0.34 4.04 3.68 0.24 -4.95 116.67 124.11 2dfe s ASP 173 Ca 0.36 -0.23 0.10 0.00 2.13 0.00 0.00 52.55 54.91 2dfe s ASP 173 Cb 0.21 -2.29 0.86 0.00 -1.45 0.00 0.00 42.92 40.25 2dfe s ASP 173 CO 0.41 -0.63 1.79 -0.65 0.13 0.00 0.00 175.17 176.22 2dfe h PRO 174 N 8.67 0.62 -0.60 4.34 0.11 -1.85 0.24 132.00 143.53 2dfe h PRO 174 Ca -0.26 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.73 2dfe h PRO 174 Cb 1.11 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2dfe h PRO 174 CO 0.83 0.41 0.06 0.00 -0.21 0.00 0.00 178.00 179.09 2dfe h ARG 175 N 0.64 1.03 -0.49 1.05 3.08 -1.92 -1.50 114.38 116.26 2dfe h ARG 175 Ca 0.56 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 2dfe h ARG 175 Cb 1.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 2dfe h ARG 175 CO -0.33 0.99 -0.12 1.15 -1.07 0.00 0.00 179.97 180.58 2dfe h THR 176 N 0.93 1.26 -0.39 2.04 2.02 -1.11 -2.37 112.91 115.30 2dfe h THR 176 Ca 0.18 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 2dfe h THR 176 Cb 0.48 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2dfe h THR 176 CO 0.02 0.43 -0.17 0.03 0.37 0.00 0.00 175.52 176.20 2dfe h ARG 177 N 0.82 0.73 0.47 6.66 3.08 -0.99 -2.20 114.38 122.94 2dfe h ARG 177 Ca 0.13 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2dfe h ARG 177 Cb 0.65 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2dfe h ARG 177 CO 0.05 0.86 -0.22 0.00 -1.07 0.00 0.00 179.97 179.58 2dfe h ALA 178 N 1.15 -0.63 -0.57 0.04 0.00 -1.08 0.30 119.26 118.48 2dfe h ALA 178 Ca 0.10 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2dfe h ALA 178 Cb 0.66 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 2dfe h ALA 178 CO 0.05 -0.85 -0.27 0.35 0.00 0.00 0.00 179.25 178.52 2dfe h PHE 179 N -0.63 -0.72 -0.14 0.00 3.57 -1.28 0.77 116.94 118.51 2dfe h PHE 179 Ca -0.06 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dfe h PHE 179 Cb 0.48 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2dfe h PHE 179 CO -0.04 -0.35 0.07 -0.07 -2.23 0.00 0.00 178.31 175.69 2dfe h LEU 180 N -0.13 0.18 -0.10 0.59 3.38 -1.09 -0.70 115.31 117.44 2dfe h LEU 180 Ca 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2dfe h LEU 180 Cb 0.52 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2dfe h LEU 180 CO -0.64 0.23 0.06 -0.33 0.09 0.00 0.00 178.44 177.85 2dfe h GLU 181 N 0.12 0.14 -0.59 1.13 5.08 0.52 -1.57 114.58 119.42 2dfe h GLU 181 Ca 0.05 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2dfe h GLU 181 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2dfe h GLU 181 CO -0.01 0.18 0.19 -0.91 -1.00 0.00 0.00 179.01 177.46 2dfe h ASN 182 N 0.07 0.82 0.12 1.42 2.35 0.57 -1.65 115.58 119.27 2dfe h ASN 182 Ca 0.04 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2dfe h ASN 182 Cb 0.07 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2dfe h ASN 182 CO -0.01 0.77 -0.06 0.22 -1.65 0.00 0.00 177.43 176.71 2dfe h TYR 183 N 0.86 -0.14 -0.26 1.19 3.20 -0.94 -2.68 116.97 118.20 2dfe h TYR 183 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2dfe h TYR 183 Cb 0.24 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2dfe h TYR 183 CO 0.02 0.11 0.19 -0.92 -1.64 0.00 0.00 178.16 175.91 2dfe h TYR 184 N -0.39 0.06 -0.13 -3.82 3.20 -1.15 -1.97 116.97 112.77 2dfe h TYR 184 Ca -0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2dfe h TYR 184 Cb 0.32 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2dfe h TYR 184 CO 0.00 0.03 0.01 -0.09 -1.64 0.00 0.00 178.16 176.48 2dfe h ARG 185 N 0.06 0.22 -0.94 1.82 2.43 -0.98 0.68 114.38 117.67 2dfe h ARG 185 Ca 0.12 -0.06 -0.46 0.00 -0.81 0.00 0.00 59.98 58.77 2dfe h ARG 185 Cb 0.41 -0.02 -0.27 0.00 -0.42 0.00 0.00 29.97 29.66 2dfe h ARG 185 CO -0.01 0.44 0.57 -1.91 -1.51 0.00 0.00 179.97 177.55 2dfe n GLU 186 N -4.80 2.55 0.00 0.20 0.00 -0.94 -4.21 120.64 113.43 2dfe n GLU 186 Ca -0.06 -3.03 0.00 0.00 0.00 0.00 0.00 57.16 54.07 2dfe n GLU 186 Cb 0.19 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.45 2dfe n GLU 186 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2dfe n HIS 187 N -0.95 0.00 -1.37 4.31 8.25 -0.78 -5.01 115.22 119.66 2dfe n HIS 187 Ca 0.56 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.89 2dfe n HIS 187 Cb 1.62 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.67 2dfe n HIS 187 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dfe n GLY 188 N 0.00 1.24 3.73 -1.41 0.00 0.24 -4.90 105.19 104.08 2dfe n GLY 188 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2dfe n GLY 188 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dfe s GLU 189 N -3.02 1.62 0.39 1.61 -1.05 -1.23 -5.02 118.70 112.00 2dfe s GLU 189 Ca 0.00 -0.83 -0.19 0.00 -0.15 0.00 0.00 54.97 53.80 2dfe s GLU 189 Cb 0.00 0.60 -0.10 0.00 -0.44 0.00 0.00 34.13 34.18 2dfe s GLU 189 CO 0.00 -0.74 0.88 -0.06 0.95 0.00 0.00 175.26 176.29 2dfe s PHE 190 N -3.85 3.33 0.50 4.83 2.99 -1.26 -3.23 117.98 121.30 2dfe s PHE 190 Ca 0.08 1.48 -0.23 0.00 0.00 0.00 0.00 56.93 58.26 2dfe s PHE 190 Cb -0.04 -2.74 -0.06 0.00 0.00 0.00 0.00 43.02 40.17 2dfe s PHE 190 CO 0.01 -0.04 1.32 -1.25 -0.00 0.00 0.00 175.22 175.26 2dfe s PRO 191 N -3.12 3.41 0.36 0.24 0.04 -1.26 -4.87 135.00 129.80 2dfe s PRO 191 Ca 0.59 2.15 0.20 0.00 0.04 0.00 0.00 61.00 63.98 2dfe s PRO 191 Cb -0.09 -2.38 1.07 0.00 0.04 0.00 0.00 34.50 33.14 2dfe s PRO 191 CO 0.15 -0.94 1.56 -1.00 0.04 0.00 0.00 177.00 176.80 2dfe h PRO 192 N 1.80 0.00 -0.00 0.56 0.13 -2.04 -1.79 132.00 130.65 2dfe h PRO 192 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2dfe h PRO 192 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2dfe h PRO 192 CO 0.59 0.00 -0.09 0.44 -0.23 0.00 0.00 178.00 178.71 2dfe n ILE 193 N -2.25 0.00 -2.88 -3.56 -5.35 -1.26 -4.68 119.36 99.38 2dfe n ILE 193 Ca -0.01 -0.05 -0.40 0.00 -0.27 0.00 0.00 62.75 62.01 2dfe n ILE 193 Cb 0.17 -0.17 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 2dfe n ILE 193 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2dfe s VAL 194 N -2.47 4.64 0.35 7.28 -7.23 -0.68 -1.56 120.40 120.73 2dfe s VAL 194 Ca 0.30 1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 61.99 2dfe s VAL 194 Cb 0.20 -4.20 -0.11 0.00 0.56 0.00 0.00 36.38 32.84 2dfe s VAL 194 CO 0.47 0.34 1.39 -0.13 -0.31 0.00 0.00 175.10 176.86 2dfe s ARG 195 N -0.03 4.25 0.18 4.82 0.52 -0.92 -4.59 118.95 123.18 2dfe s ARG 195 Ca 0.42 2.37 -0.13 0.00 -0.52 0.00 0.00 55.73 57.87 2dfe s ARG 195 Cb -0.22 -3.03 0.18 0.00 0.52 0.00 0.00 34.95 32.41 2dfe s ARG 195 CO 0.26 -0.35 1.72 1.57 0.02 0.00 0.00 175.30 178.52 2dfe h LYS 196 N 3.34 0.24 -5.20 3.54 5.09 -1.29 -3.06 116.57 119.22 2dfe h LYS 196 Ca -0.50 -0.01 -0.66 0.00 0.09 0.00 0.00 60.65 59.57 2dfe h LYS 196 Cb 1.23 -0.05 -0.06 0.00 0.10 0.00 0.00 32.23 33.45 2dfe h LYS 196 CO 0.66 0.16 2.42 0.41 -2.09 0.00 0.00 179.45 181.01 2dfe n GLY 197 N -1.28 3.04 0.00 0.07 0.00 0.47 -2.66 105.19 104.83 2dfe n GLY 197 Ca 0.05 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2dfe n GLY 197 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2dfe n TRP 198 N 8.07 0.00 0.27 1.61 -0.00 -1.23 -4.79 117.44 121.36 2dfe n TRP 198 Ca 0.50 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 58.12 2dfe n TRP 198 Cb 0.44 0.00 0.75 0.00 -0.00 0.00 0.00 31.31 32.50 2dfe n TRP 198 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 2dfe h LYS 199 N 0.00 0.00 -0.00 5.87 3.64 -1.39 -2.07 116.57 122.61 2dfe h LYS 199 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dfe h LYS 199 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dfe h LYS 199 CO 0.00 0.08 -0.27 0.25 -2.27 0.00 0.00 179.45 177.24 2dfe n THR 200 N -3.88 0.00 -3.45 1.00 -2.24 -1.22 -4.66 114.28 99.83 2dfe n THR 200 Ca -0.02 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 2dfe n THR 200 Cb 0.17 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 2dfe n THR 200 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dfe s THR 201 N -1.52 4.79 -1.64 4.28 2.01 -0.78 -4.70 115.64 118.07 2dfe s THR 201 Ca 0.03 -1.39 -0.15 0.00 0.31 0.00 0.00 61.69 60.49 2dfe s THR 201 Cb 0.05 -3.98 0.15 0.00 0.01 0.00 0.00 72.50 68.72 2dfe s THR 201 CO 0.24 -0.67 0.36 0.00 -0.69 0.00 0.00 174.62 173.87 2dfe n GLN 202 N 5.09 -0.80 -2.32 4.92 6.02 -1.26 -4.46 117.38 124.56 2dfe n GLN 202 Ca -0.11 0.11 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2dfe n GLN 202 Cb 0.42 -4.01 -0.03 0.00 1.02 0.00 0.00 30.24 27.63 2dfe n GLN 202 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2dfe s ASP 203 N -3.50 5.90 0.00 1.08 -1.08 -1.21 -4.82 116.67 113.04 2dfe s ASP 203 Ca 0.51 -1.71 -0.04 0.00 -0.52 0.00 0.00 52.55 50.79 2dfe s ASP 203 Cb -0.30 -2.58 -0.16 0.00 -1.46 0.00 0.00 42.92 38.42 2dfe s ASP 203 CO 0.95 -2.12 2.64 0.23 0.52 0.00 0.00 175.17 177.38 2dfe n MET 204 N 8.53 1.39 0.00 4.34 2.81 -1.26 -3.67 117.12 129.26 2dfe n MET 204 Ca 0.43 -0.60 -0.01 0.00 -1.81 0.00 0.00 57.70 55.71 2dfe n MET 204 Cb 0.47 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2dfe n MET 204 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2dfe n ILE 205 N 2.36 0.34 0.52 2.02 5.41 -1.26 -4.20 119.36 124.55 2dfe n ILE 205 Ca 0.26 0.20 0.12 0.00 1.00 0.00 0.00 62.75 64.33 2dfe n ILE 205 Cb 0.65 -1.33 0.24 0.00 -0.71 0.00 0.00 39.64 38.49 2dfe n ILE 205 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2dfe h ASN 206 N -0.08 0.00 0.00 4.38 2.35 -2.00 -3.34 115.58 116.89 2dfe h ASN 206 Ca 0.00 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 2dfe h ASN 206 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2dfe h ASN 206 CO 0.00 0.05 -0.92 0.11 -1.65 0.00 0.00 177.43 175.02 2dfe h LYS 207 N 0.00 0.00 -6.18 0.81 1.57 -1.86 -3.48 116.57 107.43 2dfe h LYS 207 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2dfe h LYS 207 Cb 0.79 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.11 2dfe h LYS 207 CO 0.00 0.66 -0.74 0.43 -0.57 0.00 0.00 179.45 179.24 2dfe n SER 208 N -4.51 -5.25 0.00 0.86 7.64 -1.26 -5.05 113.62 106.05 2dfe n SER 208 Ca -0.22 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2dfe n SER 208 Cb 0.52 -4.20 0.03 0.00 -1.01 0.00 0.00 64.21 59.55 2dfe n SER 208 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44