#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hsd s ASP 3 N 0.00 7.10 0.03 6.41 1.01 -1.26 -4.99 116.67 124.96 2hsd s ASP 3 Ca 0.00 1.61 0.02 0.00 0.71 0.00 0.00 52.55 54.88 2hsd s ASP 3 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2hsd s ASP 3 CO 0.00 -0.60 -0.06 -0.22 0.21 0.00 0.00 175.17 174.50 2hsd s LEU 4 N 2.62 2.19 0.05 1.23 0.20 -1.26 -4.87 118.68 118.84 2hsd s LEU 4 Ca 0.51 -0.42 0.05 0.00 0.69 0.00 0.00 54.13 54.95 2hsd s LEU 4 Cb -0.20 -0.13 -0.02 0.00 -0.43 0.00 0.00 46.19 45.41 2hsd s LEU 4 CO 0.16 -0.16 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.49 2hsd s SER 5 N -1.19 1.59 -0.16 3.68 0.01 0.39 -4.59 113.70 113.43 2hsd s SER 5 Ca -0.08 -0.49 0.22 0.00 1.31 0.00 0.00 55.95 56.91 2hsd s SER 5 Cb -0.08 -0.08 0.44 0.00 0.21 0.00 0.00 66.02 66.51 2hsd s SER 5 CO 0.00 -0.01 1.16 0.61 0.41 0.00 0.00 173.24 175.42 2hsd n GLY 6 N 1.76 1.44 3.39 3.44 0.00 -1.25 -3.49 105.19 110.47 2hsd n GLY 6 Ca -0.19 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 2hsd n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hsd s LYS 7 N -1.85 1.72 -0.06 1.61 0.00 -1.26 -4.93 119.74 114.98 2hsd s LYS 7 Ca 0.26 -2.01 -0.14 0.00 0.00 0.00 0.00 55.97 54.09 2hsd s LYS 7 Cb 0.34 -0.24 -0.05 0.00 0.00 0.00 0.00 37.83 37.87 2hsd s LYS 7 CO -0.09 -0.47 0.35 0.99 0.00 0.00 0.00 175.35 176.13 2hsd s THR 8 N -3.45 5.17 -0.09 3.79 2.01 -1.25 0.07 115.64 121.90 2hsd s THR 8 Ca 0.33 0.70 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 2hsd s THR 8 Cb 0.04 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.93 2hsd s THR 8 CO 0.18 0.53 0.21 0.54 -0.69 0.00 0.00 174.62 175.38 2hsd s VAL 9 N -0.64 -0.03 -0.16 3.82 0.11 0.53 -0.50 120.40 123.55 2hsd s VAL 9 Ca 0.21 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.28 2hsd s VAL 9 Cb -0.15 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2hsd s VAL 9 CO 0.10 0.04 0.12 -0.51 -3.33 0.00 0.00 175.10 171.52 2hsd s ILE 10 N 0.81 5.36 -0.18 7.04 1.10 -0.48 -0.71 121.20 134.14 2hsd s ILE 10 Ca -0.06 0.16 0.01 0.00 -0.51 0.00 0.00 60.65 60.26 2hsd s ILE 10 Cb -0.07 -3.39 0.03 0.00 0.15 0.00 0.00 42.46 39.18 2hsd s ILE 10 CO -0.05 0.53 -0.16 -0.63 -2.11 0.00 0.00 174.94 172.53 2hsd s ILE 11 N -0.33 1.86 0.17 2.00 1.01 -0.74 0.78 121.20 125.96 2hsd s ILE 11 Ca 0.11 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 2hsd s ILE 11 Cb -0.12 -1.77 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 2hsd s ILE 11 CO 0.01 0.39 0.49 0.42 0.00 0.00 0.00 174.94 176.25 2hsd s THR 12 N 1.34 4.99 -0.87 2.92 -4.23 -0.67 -1.44 115.64 117.68 2hsd s THR 12 Ca 0.02 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2hsd s THR 12 Cb -0.14 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2hsd s THR 12 CO -0.11 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2hsd n GLY 13 N 0.23 0.48 0.17 3.99 0.00 -0.32 -1.48 105.19 108.26 2hsd n GLY 13 Ca -0.02 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.58 2hsd n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hsd h GLY 14 N 0.00 0.00 2.00 -0.02 0.00 -1.51 -3.24 103.07 100.29 2hsd h GLY 14 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2hsd h GLY 14 CO 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.78 2hsd h ALA 15 N 2.20 1.85 -2.55 3.60 0.00 -1.88 -3.14 119.26 119.32 2hsd h ALA 15 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hsd h ALA 15 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hsd h ALA 15 CO 0.00 0.03 0.18 2.89 0.00 0.00 0.00 179.25 182.35 2hsd n ARG 16 N -4.35 0.65 0.00 0.00 1.85 -1.22 -4.66 116.66 108.93 2hsd n ARG 16 Ca -0.03 -1.29 0.00 0.00 -1.00 0.00 0.00 57.85 55.53 2hsd n ARG 16 Cb 0.11 1.61 0.00 0.00 -1.05 0.00 0.00 32.46 33.14 2hsd n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hsd n GLY 17 N -0.33 2.39 0.37 2.89 0.00 -1.26 -2.16 105.19 107.09 2hsd n GLY 17 Ca -0.05 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.67 2hsd n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hsd h LEU 18 N 0.00 0.71 0.44 0.99 4.07 -1.90 -0.49 115.31 119.13 2hsd h LEU 18 Ca 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 2hsd h LEU 18 Cb 0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2hsd h LEU 18 CO 0.00 0.36 -0.31 1.23 -1.08 0.00 0.00 178.44 178.64 2hsd h GLY 19 N 0.75 -0.98 1.52 0.83 0.00 -1.62 -0.73 103.07 102.85 2hsd h GLY 19 Ca 0.47 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 2hsd h GLY 19 CO -0.23 -0.33 0.26 0.00 0.00 0.00 0.00 176.54 176.25 2hsd h ALA 20 N -1.39 1.58 -0.42 3.60 0.00 -1.02 -1.45 119.26 120.16 2hsd h ALA 20 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2hsd h ALA 20 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2hsd h ALA 20 CO 0.04 0.36 0.27 1.49 0.00 0.00 0.00 179.25 181.40 2hsd h GLU 21 N 0.64 0.56 -0.13 0.00 4.57 -0.94 -1.46 114.58 117.84 2hsd h GLU 21 Ca 0.17 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2hsd h GLU 21 Cb 0.01 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2hsd h GLU 21 CO -0.03 0.39 0.01 0.00 -1.18 0.00 0.00 179.01 178.20 2hsd h ALA 22 N 1.14 0.11 -0.99 2.92 0.00 -0.13 -2.06 119.26 120.25 2hsd h ALA 22 Ca 0.15 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.30 2hsd h ALA 22 Cb -0.04 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 2hsd h ALA 22 CO -0.03 -0.44 0.62 0.00 0.00 0.00 0.00 179.25 179.39 2hsd h ALA 23 N 1.10 1.87 0.08 0.00 0.00 -0.85 0.97 119.26 122.43 2hsd h ALA 23 Ca 0.06 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hsd h ALA 23 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hsd h ALA 23 CO -0.09 -0.23 -0.04 -0.09 0.00 0.00 0.00 179.25 178.80 2hsd h ARG 24 N 0.63 -0.10 -0.20 0.00 2.43 -0.69 -2.05 114.38 114.40 2hsd h ARG 24 Ca 0.56 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.62 2hsd h ARG 24 Cb 1.05 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2hsd h ARG 24 CO -0.33 0.26 -0.40 1.96 -1.51 0.00 0.00 179.97 179.95 2hsd h GLN 25 N -0.49 0.45 0.00 0.20 4.20 -0.66 -0.03 115.11 118.79 2hsd h GLN 25 Ca -0.01 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2hsd h GLN 25 Cb 0.41 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2hsd h GLN 25 CO 0.02 0.78 -0.30 0.00 -0.67 0.00 0.00 178.83 178.66 2hsd h ALA 26 N 1.20 1.15 0.02 3.87 0.00 0.95 -0.10 119.26 126.35 2hsd h ALA 26 Ca 0.03 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 2hsd h ALA 26 Cb 0.86 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2hsd h ALA 26 CO 0.07 0.37 -1.40 0.28 0.00 0.00 0.00 179.25 178.57 2hsd h VAL 27 N 0.00 1.24 0.00 0.00 2.07 -1.08 0.52 116.25 119.01 2hsd h VAL 27 Ca -0.00 -3.00 -0.05 0.00 0.82 0.00 0.00 66.70 64.46 2hsd h VAL 27 Cb 0.69 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2hsd h VAL 27 CO 0.04 0.75 -0.25 0.00 0.02 0.00 0.00 177.57 178.13 2hsd h ALA 28 N 0.89 1.57 -0.03 1.67 0.00 -0.14 0.40 119.26 123.62 2hsd h ALA 28 Ca -0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2hsd h ALA 28 Cb 1.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2hsd h ALA 28 CO 0.11 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2hsd n ALA 29 N -2.48 2.61 -0.90 0.00 0.00 -0.13 -4.92 120.51 114.69 2hsd n ALA 29 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2hsd n ALA 29 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2hsd n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hsd n GLY 30 N 1.05 0.65 3.96 0.00 0.00 0.14 -0.46 105.19 110.54 2hsd n GLY 30 Ca 0.20 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2hsd n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hsd s ALA 31 N -2.00 3.42 -0.23 4.61 0.00 0.17 -3.92 121.76 123.81 2hsd s ALA 31 Ca 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 2hsd s ALA 31 Cb 0.00 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.85 2hsd s ALA 31 CO 0.00 -1.34 -0.10 1.03 0.00 0.00 0.00 175.76 175.35 2hsd s ARG 32 N -5.16 2.85 -0.02 0.00 0.52 0.11 -4.55 118.95 112.70 2hsd s ARG 32 Ca 0.63 -0.95 -0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2hsd s ARG 32 Cb -0.08 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2hsd s ARG 32 CO 0.44 -0.35 0.03 0.08 0.02 0.00 0.00 175.30 175.52 2hsd s VAL 33 N 1.30 4.40 -0.30 3.52 1.01 -0.49 -0.34 120.40 129.49 2hsd s VAL 33 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2hsd s VAL 33 Cb -0.16 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.35 2hsd s VAL 33 CO -0.07 0.42 0.01 -0.69 0.00 0.00 0.00 175.10 174.78 2hsd s VAL 34 N -1.08 1.98 0.37 2.92 1.01 0.12 -2.18 120.40 123.54 2hsd s VAL 34 Ca 0.19 -1.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.00 2hsd s VAL 34 Cb -0.12 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 2hsd s VAL 34 CO 0.09 -0.42 1.00 -0.76 0.00 0.00 0.00 175.10 175.01 2hsd s LEU 35 N 1.10 4.19 -0.06 3.92 1.43 0.28 -1.79 118.68 127.76 2hsd s LEU 35 Ca 0.04 1.91 -0.03 0.00 -1.03 0.00 0.00 54.13 55.03 2hsd s LEU 35 Cb -0.19 -4.17 0.03 0.00 0.03 0.00 0.00 46.19 41.90 2hsd s LEU 35 CO -0.09 -0.31 0.13 0.00 0.23 0.00 0.00 176.35 176.31 2hsd s ALA 36 N -1.71 -0.25 0.33 4.21 0.00 -0.52 -0.20 121.76 123.61 2hsd s ALA 36 Ca 0.55 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 2hsd s ALA 36 Cb -0.19 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.58 2hsd s ALA 36 CO 0.24 -0.13 0.74 0.34 0.00 0.00 0.00 175.76 176.95 2hsd s ASP 37 N 0.91 -0.11 -0.02 0.00 -1.08 -1.05 -1.17 116.67 114.16 2hsd s ASP 37 Ca -0.07 -0.89 0.19 0.00 -0.52 0.00 0.00 52.55 51.26 2hsd s ASP 37 Cb -0.09 0.78 -0.21 0.00 -1.46 0.00 0.00 42.92 41.94 2hsd s ASP 37 CO -0.04 -1.51 0.56 0.52 0.52 0.00 0.00 175.17 175.22 2hsd n VAL 38 N -0.49 0.88 -2.86 1.11 0.31 -1.24 -0.67 118.33 115.37 2hsd n VAL 38 Ca -0.06 -0.67 -0.44 0.00 -0.01 0.00 0.00 64.34 63.16 2hsd n VAL 38 Cb 0.60 -0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 33.07 2hsd n VAL 38 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2hsd s LEU 39 N -5.34 4.76 0.24 7.52 1.02 -1.26 -4.85 118.68 120.77 2hsd s LEU 39 Ca -0.06 -2.52 0.00 0.00 0.02 0.00 0.00 54.13 51.57 2hsd s LEU 39 Cb 0.09 -2.44 0.27 0.00 0.02 0.00 0.00 46.19 44.13 2hsd s LEU 39 CO 0.84 -0.96 1.61 0.44 0.02 0.00 0.00 176.35 178.31 2hsd h ASP 40 N 7.91 0.51 0.88 2.29 5.19 -1.97 -2.04 116.42 129.19 2hsd h ASP 40 Ca 0.28 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2hsd h ASP 40 Cb 0.93 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.30 2hsd h ASP 40 CO 1.25 0.87 -0.42 -0.33 -3.12 0.00 0.00 179.24 177.48 2hsd h GLU 41 N 0.40 -1.14 -0.01 3.56 3.07 -2.00 -1.50 114.58 116.97 2hsd h GLU 41 Ca 0.03 0.08 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 2hsd h GLU 41 Cb 0.89 0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 2hsd h GLU 41 CO 0.08 -0.76 -0.06 0.93 -1.40 0.00 0.00 179.01 177.80 2hsd h GLU 42 N -1.18 -0.10 -0.59 2.33 5.08 -1.95 -2.73 114.58 115.43 2hsd h GLU 42 Ca -0.12 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2hsd h GLU 42 Cb 0.90 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.07 2hsd h GLU 42 CO 0.20 -0.07 -0.06 0.78 -1.00 0.00 0.00 179.01 178.86 2hsd h GLY 43 N -0.11 0.55 1.02 -3.84 0.00 -1.29 0.52 103.07 99.93 2hsd h GLY 43 Ca 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2hsd h GLY 43 CO -0.07 -0.21 0.20 0.00 0.00 0.00 0.00 176.54 176.46 2hsd h ALA 44 N 1.56 0.85 -0.54 3.60 0.00 -1.23 -2.07 119.26 121.44 2hsd h ALA 44 Ca 0.30 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2hsd h ALA 44 Cb 0.48 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2hsd h ALA 44 CO -0.55 0.52 0.26 0.00 0.00 0.00 0.00 179.25 179.48 2hsd h ALA 45 N 1.08 0.69 0.20 0.00 0.00 -0.90 -0.31 119.26 120.02 2hsd h ALA 45 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2hsd h ALA 45 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2hsd h ALA 45 CO -0.01 -0.09 -0.12 1.15 0.00 0.00 0.00 179.25 180.18 2hsd h THR 46 N 0.50 0.74 0.00 0.00 2.02 -0.74 -1.30 112.91 114.13 2hsd h THR 46 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 2hsd h THR 46 Cb 0.17 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2hsd h THR 46 CO -0.18 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.68 2hsd h ALA 47 N 0.48 1.65 0.23 6.16 0.00 -0.95 0.27 119.26 127.10 2hsd h ALA 47 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2hsd h ALA 47 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hsd h ALA 47 CO 0.02 0.04 -0.11 0.00 0.00 0.00 0.00 179.25 179.20 2hsd h ARG 48 N 0.00 -0.29 -0.43 0.00 3.08 -0.37 -2.60 114.38 113.77 2hsd h ARG 48 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.16 2hsd h ARG 48 Cb 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2hsd h ARG 48 CO 0.00 0.08 0.30 0.93 -1.07 0.00 0.00 179.97 180.21 2hsd h GLU 49 N -0.79 0.18 0.00 0.04 3.07 -0.48 0.79 114.58 117.38 2hsd h GLU 49 Ca -0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2hsd h GLU 49 Cb 0.51 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2hsd h GLU 49 CO 0.05 0.12 0.00 -0.07 -1.40 0.00 0.00 179.01 177.71 2hsd h LEU 50 N 0.19 0.00 0.00 1.33 3.38 -0.89 -3.49 115.31 115.83 2hsd h LEU 50 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2hsd h LEU 50 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2hsd h LEU 50 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2hsd n GLY 51 N 0.69 0.47 0.13 0.83 0.00 0.27 -4.36 105.19 103.23 2hsd n GLY 51 Ca 0.04 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.68 2hsd n GLY 51 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hsd h ASP 52 N 3.22 0.00 0.00 1.61 3.58 -1.87 -3.29 116.42 119.67 2hsd h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hsd h ASP 52 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2hsd h ASP 52 CO 0.00 0.29 0.00 0.00 -2.88 0.00 0.00 179.24 176.65 2hsd n ALA 53 N -2.24 2.42 -2.48 -0.78 0.00 -1.26 -4.80 120.51 111.36 2hsd n ALA 53 Ca -0.02 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 2hsd n ALA 53 Cb 0.68 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 2hsd n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hsd s ALA 54 N -2.00 1.91 -0.07 0.00 0.00 -1.24 -1.40 121.76 118.96 2hsd s ALA 54 Ca 0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2hsd s ALA 54 Cb 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.88 2hsd s ALA 54 CO 0.06 0.41 0.15 1.03 0.00 0.00 0.00 175.76 177.41 2hsd s ARG 55 N -1.64 0.09 -0.16 0.00 1.81 -0.93 -4.94 118.95 113.19 2hsd s ARG 55 Ca 0.08 0.40 -0.10 0.00 -1.72 0.00 0.00 55.73 54.38 2hsd s ARG 55 Cb -0.10 -0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.17 2hsd s ARG 55 CO 0.04 -0.18 0.19 -0.47 -0.68 0.00 0.00 175.30 174.19 2hsd s TYR 56 N 1.28 3.49 0.03 -0.53 5.04 -1.26 -0.55 117.35 124.84 2hsd s TYR 56 Ca -0.08 0.49 0.04 0.00 -2.44 0.00 0.00 57.07 55.08 2hsd s TYR 56 Cb -0.12 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 2hsd s TYR 56 CO -0.06 0.42 -0.13 -0.65 -1.34 0.00 0.00 175.55 173.79 2hsd s GLN 57 N -0.08 0.89 0.19 4.97 -1.52 0.72 -4.95 119.66 119.88 2hsd s GLN 57 Ca 0.13 -0.66 -0.27 0.00 -1.95 0.00 0.00 55.36 52.60 2hsd s GLN 57 Cb -0.12 -0.88 -0.08 0.00 -0.22 0.00 0.00 33.01 31.71 2hsd s GLN 57 CO 0.02 0.22 0.85 -1.58 -0.25 0.00 0.00 175.29 174.55 2hsd s HIS 58 N -0.73 3.93 -0.27 0.91 5.65 -1.26 -2.51 115.29 121.00 2hsd s HIS 58 Ca 0.01 1.75 -0.03 0.00 0.25 0.00 0.00 55.06 57.04 2hsd s HIS 58 Cb -0.07 -2.87 0.15 0.00 -1.18 0.00 0.00 32.58 28.61 2hsd s HIS 58 CO 0.01 0.47 0.50 -1.17 -0.65 0.00 0.00 174.74 173.90 2hsd s LEU 59 N -1.06 -1.00 -0.69 8.88 2.96 0.15 -4.80 118.68 123.13 2hsd s LEU 59 Ca 0.38 0.73 -0.20 0.00 -0.22 0.00 0.00 54.13 54.82 2hsd s LEU 59 Cb -0.24 1.70 0.11 0.00 0.50 0.00 0.00 46.19 48.25 2hsd s LEU 59 CO 0.29 -0.27 0.87 -0.62 -1.32 0.00 0.00 176.35 175.30 2hsd s ASP 60 N 2.72 6.30 0.40 3.68 -1.08 -1.26 -3.62 116.67 123.81 2hsd s ASP 60 Ca 0.12 -1.49 0.07 0.00 -0.52 0.00 0.00 52.55 50.73 2hsd s ASP 60 Cb -0.14 -2.35 0.38 0.00 -1.46 0.00 0.00 42.92 39.34 2hsd s ASP 60 CO -0.18 -1.17 1.06 1.62 0.52 0.00 0.00 175.17 177.02 2hsd h VAL 61 N 5.85 0.00 0.00 1.11 3.04 -1.95 0.15 116.25 124.46 2hsd h VAL 61 Ca -0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2hsd h VAL 61 Cb 1.07 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2hsd h VAL 61 CO 1.11 0.00 -0.51 0.35 -1.01 0.00 0.00 177.57 177.51 2hsd n THR 62 N -2.04 0.11 -3.50 3.17 -2.24 -1.26 -4.43 114.28 104.09 2hsd n THR 62 Ca -0.00 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2hsd n THR 62 Cb 0.61 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 2hsd n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2hsd s ILE 63 N -3.05 4.60 0.59 2.28 1.01 0.52 -4.94 121.20 122.21 2hsd s ILE 63 Ca 0.10 -2.16 0.04 0.00 0.00 0.00 0.00 60.65 58.63 2hsd s ILE 63 Cb 0.16 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.71 2hsd s ILE 63 CO 0.70 -0.87 1.08 -0.08 0.00 0.00 0.00 174.94 175.76 2hsd h GLU 64 N 8.06 0.00 -0.06 2.79 4.81 -1.84 0.25 114.58 128.59 2hsd h GLU 64 Ca -0.10 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2hsd h GLU 64 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2hsd h GLU 64 CO 0.83 0.00 -0.20 0.93 -0.73 0.00 0.00 179.01 179.84 2hsd h GLU 65 N 0.00 0.24 -0.65 1.92 3.07 -1.93 -3.00 114.58 114.23 2hsd h GLU 65 Ca 0.00 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 2hsd h GLU 65 Cb 1.73 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.64 2hsd h GLU 65 CO 0.00 0.81 0.43 -0.44 -1.40 0.00 0.00 179.01 178.41 2hsd h ASP 66 N -0.28 0.73 -0.13 1.42 5.19 -0.80 0.10 116.42 122.65 2hsd h ASP 66 Ca -0.01 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2hsd h ASP 66 Cb 0.83 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2hsd h ASP 66 CO 0.04 0.53 0.04 -0.50 -3.12 0.00 0.00 179.24 176.23 2hsd h TRP 67 N 0.86 0.07 -0.41 4.55 4.06 -1.58 0.33 115.95 123.83 2hsd h TRP 67 Ca 0.24 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 2hsd h TRP 67 Cb -0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 2hsd h TRP 67 CO -0.00 0.03 0.22 1.96 -3.56 0.00 0.00 178.44 177.09 2hsd h GLN 68 N 0.10 0.58 0.22 0.49 4.20 -0.99 0.38 115.11 120.08 2hsd h GLN 68 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2hsd h GLN 68 Cb 0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2hsd h GLN 68 CO -0.06 0.47 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.37 2hsd h ARG 69 N 0.53 -0.28 -0.67 1.46 1.12 -0.64 0.18 114.38 116.07 2hsd h ARG 69 Ca 0.14 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.97 2hsd h ARG 69 Cb 0.07 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.06 2hsd h ARG 69 CO -0.02 -0.15 0.18 0.28 -3.11 0.00 0.00 179.97 177.15 2hsd h VAL 70 N -0.34 1.25 0.00 0.20 2.07 -0.18 -0.03 116.25 119.23 2hsd h VAL 70 Ca -0.03 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 2hsd h VAL 70 Cb 0.26 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2hsd h VAL 70 CO 0.05 0.35 -0.37 0.58 0.02 0.00 0.00 177.57 178.20 2hsd h VAL 71 N 1.00 0.73 -0.03 2.57 2.07 -0.06 -0.88 116.25 121.66 2hsd h VAL 71 Ca 0.22 -1.68 -0.19 0.00 0.82 0.00 0.00 66.70 65.87 2hsd h VAL 71 Cb 0.32 2.10 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2hsd h VAL 71 CO -0.00 0.36 -0.72 0.00 0.02 0.00 0.00 177.57 177.23 2hsd h ALA 72 N 1.63 0.12 -0.04 1.67 0.00 -0.27 -3.11 119.26 119.27 2hsd h ALA 72 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2hsd h ALA 72 Cb 1.07 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2hsd h ALA 72 CO 0.05 0.47 0.02 -0.92 0.00 0.00 0.00 179.25 178.87 2hsd h TYR 73 N 0.11 0.05 -0.99 0.00 3.20 -0.68 -0.11 116.97 118.56 2hsd h TYR 73 Ca -0.08 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.87 2hsd h TYR 73 Cb 1.40 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.58 2hsd h TYR 73 CO 0.13 0.15 0.63 0.00 -1.64 0.00 0.00 178.16 177.42 2hsd h ALA 74 N 0.90 1.41 -0.11 1.82 0.00 -1.27 0.64 119.26 122.65 2hsd h ALA 74 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2hsd h ALA 74 Cb 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2hsd h ALA 74 CO -0.00 0.35 -0.16 -0.09 0.00 0.00 0.00 179.25 179.35 2hsd h ARG 75 N 1.09 0.30 -0.30 0.00 2.43 -1.44 -1.04 114.38 115.42 2hsd h ARG 75 Ca 0.45 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 59.28 2hsd h ARG 75 Cb 0.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2hsd h ARG 75 CO -0.20 0.75 -0.46 0.93 -1.51 0.00 0.00 179.97 179.47 2hsd h GLU 76 N -0.13 0.79 -0.02 0.20 3.07 -0.56 1.47 114.58 119.39 2hsd h GLU 76 Ca 0.01 -0.45 -0.17 0.00 -0.50 0.00 0.00 59.36 58.25 2hsd h GLU 76 Cb 0.72 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2hsd h GLU 76 CO 0.04 1.08 -0.76 1.49 -1.40 0.00 0.00 179.01 179.46 2hsd h GLU 77 N 0.63 0.19 0.00 2.33 4.57 0.20 -3.35 114.58 119.15 2hsd h GLU 77 Ca 0.04 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2hsd h GLU 77 Cb 1.04 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2hsd h GLU 77 CO 0.10 0.86 0.00 1.19 -1.18 0.00 0.00 179.01 179.98 2hsd n PHE 78 N -3.74 0.00 0.00 0.92 3.72 -0.39 -5.01 117.46 112.96 2hsd n PHE 78 Ca -0.03 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 2hsd n PHE 78 Cb 0.73 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 2hsd n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hsd n GLY 79 N -0.29 2.01 3.33 1.37 0.00 0.50 -4.90 105.19 107.21 2hsd n GLY 79 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2hsd n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hsd s SER 80 N -0.82 -0.27 -0.27 1.61 1.04 -1.23 -4.88 113.70 108.87 2hsd s SER 80 Ca 0.00 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.26 2hsd s SER 80 Cb 0.00 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.66 2hsd s SER 80 CO 0.00 -0.80 -0.02 -0.69 0.98 0.00 0.00 173.24 172.71 2hsd s VAL 81 N -3.35 1.69 -0.12 5.02 1.01 -1.26 -4.35 120.40 119.04 2hsd s VAL 81 Ca 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 61.98 60.58 2hsd s VAL 81 Cb 0.01 -2.02 -0.17 0.00 0.00 0.00 0.00 36.38 34.20 2hsd s VAL 81 CO -0.09 -0.25 0.07 0.47 0.00 0.00 0.00 175.10 175.30 2hsd n ASP 82 N 4.58 1.76 -4.22 3.32 9.92 0.35 -4.05 116.55 128.21 2hsd n ASP 82 Ca -0.08 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.03 2hsd n ASP 82 Cb 0.43 0.91 -0.10 0.00 -0.64 0.00 0.00 41.12 41.72 2hsd n ASP 82 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2hsd s GLY 83 N -4.51 0.99 -0.14 0.44 0.00 -0.69 -0.05 107.32 103.37 2hsd s GLY 83 Ca -0.06 -1.36 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 2hsd s GLY 83 CO 0.54 -1.45 0.30 -2.27 0.00 0.00 0.00 173.10 170.22 2hsd s LEU 84 N -2.84 -0.03 -0.36 0.66 2.96 -0.56 -1.38 118.68 117.14 2hsd s LEU 84 Ca 0.12 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 2hsd s LEU 84 Cb -0.00 0.91 0.10 0.00 0.50 0.00 0.00 46.19 47.70 2hsd s LEU 84 CO 0.01 -0.20 0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 2hsd s VAL 85 N 1.80 2.77 -0.90 1.68 1.01 0.23 -1.10 120.40 125.90 2hsd s VAL 85 Ca -0.05 -2.10 -0.24 0.00 0.00 0.00 0.00 61.98 59.59 2hsd s VAL 85 Cb -0.11 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2hsd s VAL 85 CO -0.10 -0.56 1.72 0.20 0.00 0.00 0.00 175.10 176.36 2hsd s ASN 86 N 1.34 5.69 -0.10 3.32 0.01 0.04 -1.67 114.94 123.57 2hsd s ASN 86 Ca 0.07 -0.81 0.06 0.00 -0.71 0.00 0.00 52.86 51.47 2hsd s ASN 86 Cb -0.21 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.79 2hsd s ASN 86 CO -0.06 -2.22 -0.01 -3.20 -1.51 0.00 0.00 177.10 170.10 2hsd n ASN 87 N 11.78 2.75 -4.57 -1.22 2.85 -1.17 -0.82 115.26 124.87 2hsd n ASN 87 Ca 0.33 -0.02 -0.45 0.00 -0.11 0.00 0.00 54.58 54.32 2hsd n ASN 87 Cb 0.49 0.45 -0.02 0.00 1.24 0.00 0.00 39.78 41.94 2hsd n ASN 87 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hsd n ALA 88 N -2.52 -0.54 0.00 5.20 0.00 -0.55 -4.77 120.51 117.33 2hsd n ALA 88 Ca -0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2hsd n ALA 88 Cb 0.79 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2hsd n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hsd n GLY 89 N 1.41 1.27 3.62 0.00 0.00 -1.26 -4.79 105.19 105.44 2hsd n GLY 89 Ca 0.11 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 2hsd n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hsd s ILE 90 N -2.00 3.17 0.35 -0.61 -4.36 -1.26 -5.06 121.20 111.43 2hsd s ILE 90 Ca 0.00 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.48 2hsd s ILE 90 Cb 0.00 -2.76 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 2hsd s ILE 90 CO 0.00 -0.35 0.19 -0.44 0.24 0.00 0.00 174.94 174.58 2hsd s SER 91 N -3.66 4.77 -0.02 4.36 0.01 -1.26 -4.89 113.70 113.00 2hsd s SER 91 Ca 0.32 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2hsd s SER 91 Cb -0.05 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.48 2hsd s SER 91 CO 0.19 -0.36 0.00 -0.89 0.41 0.00 0.00 173.24 172.59 2hsd s THR 92 N -2.43 0.12 -0.41 1.44 2.01 -1.26 -4.94 115.64 110.16 2hsd s THR 92 Ca 0.39 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.54 2hsd s THR 92 Cb -0.02 -0.20 0.22 0.00 0.01 0.00 0.00 72.50 72.51 2hsd s THR 92 CO 0.24 0.11 0.51 0.61 -0.69 0.00 0.00 174.62 175.40 2hsd n GLY 93 N 3.92 2.24 3.48 4.40 0.00 -1.20 -4.31 105.19 113.71 2hsd n GLY 93 Ca -0.24 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 2hsd n GLY 93 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2hsd s MET 94 N -0.56 1.01 0.22 1.61 0.23 -0.04 -5.01 119.30 116.76 2hsd s MET 94 Ca 0.34 -0.30 -0.31 0.00 -1.03 0.00 0.00 55.69 54.39 2hsd s MET 94 Cb 0.13 0.47 -0.11 0.00 -1.53 0.00 0.00 34.83 33.79 2hsd s MET 94 CO -0.15 -0.43 1.59 -0.06 -2.03 0.00 0.00 175.02 173.95 2hsd s PHE 95 N -3.10 2.95 0.14 3.16 0.08 -1.26 -4.31 117.98 115.63 2hsd s PHE 95 Ca 0.02 0.65 -0.20 0.00 0.12 0.00 0.00 56.93 57.52 2hsd s PHE 95 Cb -0.01 -3.99 0.04 0.00 -0.57 0.00 0.00 43.02 38.48 2hsd s PHE 95 CO -0.09 -3.56 1.19 -0.11 -0.10 0.00 0.00 175.22 172.55 2hsd n LEU 96 N 3.32 -0.70 -0.08 -0.37 0.00 -1.26 0.13 117.00 118.04 2hsd n LEU 96 Ca 0.12 1.36 0.00 0.00 0.00 0.00 0.00 56.01 57.49 2hsd n LEU 96 Cb 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2hsd n LEU 96 CO 0.62 -1.15 0.24 -1.84 0.00 0.00 0.00 177.39 175.26 2hsd n GLU 97 N -5.03 0.52 -0.03 1.96 -0.00 -1.26 -1.60 120.64 115.20 2hsd n GLU 97 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.21 2hsd n GLU 97 Cb 0.24 -1.04 0.03 0.00 -0.00 0.00 0.00 31.44 30.67 2hsd n GLU 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2hsd n THR 98 N -0.39 1.00 -4.27 3.84 -1.04 0.12 -4.97 114.28 108.57 2hsd n THR 98 Ca 0.00 -1.00 -0.34 0.00 -2.04 0.00 0.00 64.05 60.67 2hsd n THR 98 Cb 0.02 0.50 -0.12 0.00 -1.82 0.00 0.00 70.33 68.91 2hsd n THR 98 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2hsd s GLU 99 N -1.00 3.70 0.48 -2.82 2.12 -0.62 -4.91 118.70 115.65 2hsd s GLU 99 Ca 0.05 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 54.67 2hsd s GLU 99 Cb 0.02 -3.00 -0.08 0.00 0.26 0.00 0.00 34.13 31.34 2hsd s GLU 99 CO 0.03 0.19 1.09 -1.54 -0.54 0.00 0.00 175.26 174.49 2hsd s SER 100 N 0.51 6.23 0.46 -1.70 1.04 -1.26 -4.87 113.70 114.11 2hsd s SER 100 Ca -0.02 2.08 0.20 0.00 0.48 0.00 0.00 55.95 58.69 2hsd s SER 100 Cb -0.14 -2.58 1.14 0.00 0.10 0.00 0.00 66.02 64.54 2hsd s SER 100 CO 0.02 -0.86 1.99 -0.37 0.98 0.00 0.00 173.24 175.00 2hsd h VAL 101 N 1.65 0.91 -0.53 5.02 -1.51 -1.98 0.50 116.25 120.31 2hsd h VAL 101 Ca -0.49 -0.72 -0.11 0.00 -1.23 0.00 0.00 66.70 64.15 2hsd h VAL 101 Cb 1.23 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 2hsd h VAL 101 CO 0.59 0.19 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.71 2hsd h GLU 102 N 0.00 0.99 -0.21 5.19 3.07 -1.99 -0.26 114.58 121.37 2hsd h GLU 102 Ca -0.00 -0.36 -0.18 0.00 -0.50 0.00 0.00 59.36 58.32 2hsd h GLU 102 Cb 0.40 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2hsd h GLU 102 CO 0.03 1.04 -0.58 -0.09 -1.40 0.00 0.00 179.01 178.00 2hsd h ARG 103 N 0.86 0.76 -0.51 2.33 2.43 -1.76 -0.88 114.38 117.62 2hsd h ARG 103 Ca 0.14 -0.54 0.09 0.00 -0.81 0.00 0.00 59.98 58.86 2hsd h ARG 103 Cb 0.65 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 2hsd h ARG 103 CO 0.04 1.16 0.10 0.35 -1.51 0.00 0.00 179.97 180.12 2hsd h PHE 104 N 0.50 0.16 -0.51 2.20 3.57 -0.65 -1.21 116.94 121.01 2hsd h PHE 104 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2hsd h PHE 104 Cb 1.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 2hsd h PHE 104 CO 0.09 -0.01 0.15 0.00 -2.23 0.00 0.00 178.31 176.30 2hsd h ARG 105 N 0.24 0.79 -0.32 1.11 3.08 -0.91 -1.90 114.38 116.48 2hsd h ARG 105 Ca 0.26 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2hsd h ARG 105 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2hsd h ARG 105 CO -0.34 0.75 -0.24 1.57 -1.07 0.00 0.00 179.97 180.64 2hsd h LYS 106 N 0.69 0.62 -0.22 0.04 2.10 -0.64 -1.31 116.57 117.85 2hsd h LYS 106 Ca 0.16 -0.24 -0.05 0.00 -2.00 0.00 0.00 60.65 58.52 2hsd h LYS 106 Cb 0.29 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2hsd h LYS 106 CO -0.00 0.80 -0.05 0.28 -2.00 0.00 0.00 179.45 178.48 2hsd h VAL 107 N 0.54 1.28 -0.54 0.07 2.07 -1.11 -2.88 116.25 115.68 2hsd h VAL 107 Ca 0.08 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2hsd h VAL 107 Cb 0.70 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2hsd h VAL 107 CO 0.05 0.32 0.33 0.58 0.02 0.00 0.00 177.57 178.87 2hsd h VAL 108 N 0.16 1.16 -0.62 2.57 2.07 -1.21 0.48 116.25 120.86 2hsd h VAL 108 Ca 0.06 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.36 2hsd h VAL 108 Cb 0.50 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 2hsd h VAL 108 CO 0.02 0.16 -0.02 -0.08 0.02 0.00 0.00 177.57 177.68 2hsd h GLU 109 N 0.72 0.10 0.05 1.57 4.57 -1.17 0.60 114.58 121.02 2hsd h GLU 109 Ca 0.19 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.25 2hsd h GLU 109 Cb -0.03 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2hsd h GLU 109 CO -0.04 0.07 -0.48 0.82 -1.18 0.00 0.00 179.01 178.20 2hsd h ILE 110 N 0.10 1.55 0.05 2.32 2.04 -1.28 -0.54 117.51 121.76 2hsd h ILE 110 Ca 0.32 -2.24 -0.24 0.00 1.00 0.00 0.00 64.86 63.71 2hsd h ILE 110 Cb 0.52 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2hsd h ILE 110 CO -0.54 0.62 -1.05 0.78 0.00 0.00 0.00 178.15 177.97 2hsd h ASN 111 N -0.45 0.39 0.00 1.72 2.35 -0.67 -3.32 115.58 115.60 2hsd h ASN 111 Ca -0.07 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2hsd h ASN 111 Cb 1.29 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2hsd h ASN 111 CO 0.09 1.21 0.00 -0.11 -1.65 0.00 0.00 177.43 176.97 2hsd n LEU 112 N -3.62 0.00 -0.29 1.61 7.94 0.21 -4.43 117.00 118.42 2hsd n LEU 112 Ca -0.06 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.90 2hsd n LEU 112 Cb 0.91 -0.46 0.21 0.00 0.53 0.00 0.00 43.42 44.61 2hsd n LEU 112 CO 0.51 -0.48 1.11 0.74 -1.11 0.00 0.00 177.39 178.16 2hsd h THR 113 N 0.00 0.78 -0.68 1.96 2.02 -1.47 -1.23 112.91 114.28 2hsd h THR 113 Ca 0.00 -0.23 0.14 0.00 0.77 0.00 0.00 66.41 67.09 2hsd h THR 113 Cb 0.00 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 2hsd h THR 113 CO 0.00 0.12 0.46 1.23 0.37 0.00 0.00 175.52 177.70 2hsd h GLY 114 N 0.67 0.54 1.98 2.16 0.00 -1.19 0.23 103.07 107.45 2hsd h GLY 114 Ca 0.44 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 47.43 2hsd h GLY 114 CO -0.33 0.06 -0.96 -0.39 0.00 0.00 0.00 176.54 174.91 2hsd h VAL 115 N 0.33 1.62 0.22 4.60 -1.51 -1.43 -2.92 116.25 117.16 2hsd h VAL 115 Ca 0.33 -3.30 -0.01 0.00 -1.23 0.00 0.00 66.70 62.49 2hsd h VAL 115 Cb 0.83 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.80 2hsd h VAL 115 CO -0.09 0.92 -0.11 0.15 -1.23 0.00 0.00 177.57 177.22 2hsd h PHE 116 N 0.00 -0.28 -0.81 5.19 3.57 -0.29 -0.30 116.94 124.04 2hsd h PHE 116 Ca -0.01 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.63 2hsd h PHE 116 Cb 1.74 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.51 2hsd h PHE 116 CO 0.00 0.02 0.53 0.82 -2.23 0.00 0.00 178.31 177.45 2hsd h ILE 117 N -0.56 0.80 -0.34 1.41 2.04 -0.87 -0.31 117.51 119.68 2hsd h ILE 117 Ca -0.03 -0.17 -0.18 0.00 1.00 0.00 0.00 64.86 65.48 2hsd h ILE 117 Cb 0.42 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2hsd h ILE 117 CO 0.05 0.09 -0.47 1.23 0.00 0.00 0.00 178.15 179.05 2hsd h GLY 118 N 0.50 1.00 0.67 5.37 0.00 -1.25 -1.33 103.07 108.03 2hsd h GLY 118 Ca 0.40 -1.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2hsd h GLY 118 CO -0.15 0.99 -0.20 -0.33 0.00 0.00 0.00 176.54 176.85 2hsd h MET 119 N 0.72 -0.54 -0.01 4.80 2.86 0.27 -1.38 114.93 121.66 2hsd h MET 119 Ca 0.04 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2hsd h MET 119 Cb 1.08 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 2hsd h MET 119 CO 0.11 -0.23 -0.23 1.57 1.06 0.00 0.00 176.91 179.18 2hsd h LYS 120 N -0.91 -0.35 -0.22 1.72 2.10 -1.15 -0.40 116.57 117.36 2hsd h LYS 120 Ca -0.06 0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.67 2hsd h LYS 120 Cb 0.56 0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 31.91 2hsd h LYS 120 CO 0.09 -0.23 -0.13 1.15 -2.00 0.00 0.00 179.45 178.33 2hsd h THR 121 N -0.36 0.60 0.00 0.07 2.02 -1.30 -2.84 112.91 111.10 2hsd h THR 121 Ca 0.06 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 2hsd h THR 121 Cb 0.45 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2hsd h THR 121 CO -0.22 0.00 -0.33 1.62 0.37 0.00 0.00 175.52 176.96 2hsd h VAL 122 N -0.12 1.12 -0.11 3.16 3.04 -0.75 -3.36 116.25 119.24 2hsd h VAL 122 Ca 0.12 -1.19 0.01 0.00 -1.01 0.00 0.00 66.70 64.63 2hsd h VAL 122 Cb 0.31 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 2hsd h VAL 122 CO -0.30 0.33 -0.10 0.40 -1.01 0.00 0.00 177.57 176.89 2hsd h ILE 123 N 0.00 0.00 -0.77 3.17 2.04 -0.83 -1.39 117.51 119.74 2hsd h ILE 123 Ca -0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 2hsd h ILE 123 Cb 0.64 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.60 2hsd h ILE 123 CO 0.04 0.00 0.21 1.55 0.00 0.00 0.00 178.15 179.96 2hsd h PRO 124 N -0.04 0.28 -0.30 2.37 0.13 -1.75 0.15 132.00 132.85 2hsd h PRO 124 Ca 0.02 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2hsd h PRO 124 Cb 0.09 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.09 2hsd h PRO 124 CO -0.12 0.19 -0.10 0.00 -0.23 0.00 0.00 178.00 177.73 2hsd h ALA 125 N 1.63 0.16 0.00 -0.56 0.00 -1.65 0.16 119.26 119.00 2hsd h ALA 125 Ca 0.44 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.37 2hsd h ALA 125 Cb 0.76 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2hsd h ALA 125 CO -0.52 -0.49 -0.46 0.52 0.00 0.00 0.00 179.25 178.30 2hsd h MET 126 N -0.04 0.00 -0.56 0.00 2.86 -0.04 -2.32 114.93 114.82 2hsd h MET 126 Ca 0.15 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 2hsd h MET 126 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2hsd h MET 126 CO -0.33 0.46 0.05 0.87 1.06 0.00 0.00 176.91 179.02 2hsd h LYS 127 N 0.00 0.92 -0.17 1.72 1.57 0.82 -0.86 116.57 120.56 2hsd h LYS 127 Ca -0.00 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2hsd h LYS 127 Cb 0.84 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2hsd h LYS 127 CO 0.06 0.88 -0.24 0.22 -0.57 0.00 0.00 179.45 179.80 2hsd h ASP 128 N 0.86 0.31 0.08 0.86 3.58 -0.46 -2.14 116.42 119.50 2hsd h ASP 128 Ca 0.17 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2hsd h ASP 128 Cb 0.44 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2hsd h ASP 128 CO 0.02 0.55 -0.02 0.00 -2.88 0.00 0.00 179.24 176.91 2hsd n ALA 129 N -2.48 2.66 -2.00 -0.78 0.00 -0.85 -4.92 120.51 112.13 2hsd n ALA 129 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 2hsd n ALA 129 Cb 0.36 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 2hsd n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hsd n GLY 130 N 1.11 0.26 0.00 0.00 0.00 -0.81 -4.93 105.19 100.82 2hsd n GLY 130 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2hsd n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsd n GLY 131 N -1.09 2.22 0.00 -0.02 0.00 -0.39 -4.87 105.19 101.03 2hsd n GLY 131 Ca -0.04 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2hsd n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsd n GLY 132 N -1.59 -1.29 2.79 -0.02 0.00 -1.06 -4.69 105.19 99.33 2hsd n GLY 132 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 2hsd n GLY 132 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hsd s SER 133 N -1.14 1.61 -0.22 1.61 0.15 0.93 -1.30 113.70 115.34 2hsd s SER 133 Ca 0.00 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 2hsd s SER 133 Cb 0.00 -0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 2hsd s SER 133 CO 0.00 -0.18 -0.00 -0.63 1.20 0.00 0.00 173.24 173.63 2hsd s ILE 134 N 1.89 3.81 -0.26 6.45 1.01 0.94 -1.50 121.20 133.55 2hsd s ILE 134 Ca 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2hsd s ILE 134 Cb -0.12 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.65 2hsd s ILE 134 CO -0.05 0.41 -0.09 -0.69 0.00 0.00 0.00 174.94 174.52 2hsd s VAL 135 N 1.29 2.51 -0.34 2.92 1.01 -0.26 -1.91 120.40 125.64 2hsd s VAL 135 Ca 0.04 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.52 2hsd s VAL 135 Cb -0.15 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2hsd s VAL 135 CO 0.01 0.09 0.41 0.20 0.00 0.00 0.00 175.10 175.80 2hsd s ASN 136 N 1.21 6.23 -1.00 3.32 0.01 -0.64 -0.78 114.94 123.30 2hsd s ASN 136 Ca -0.04 -0.10 -0.23 0.00 -0.71 0.00 0.00 52.86 51.77 2hsd s ASN 136 Cb -0.18 -2.22 0.03 0.00 0.41 0.00 0.00 41.25 39.29 2hsd s ASN 136 CO -0.05 -0.36 1.53 -0.63 -1.51 0.00 0.00 177.10 176.08 2hsd s ILE 137 N 2.14 3.84 0.00 0.60 -1.09 0.00 -0.68 121.20 126.02 2hsd s ILE 137 Ca 0.14 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2hsd s ILE 137 Cb -0.16 -4.88 0.00 0.00 -1.58 0.00 0.00 42.46 35.84 2hsd s ILE 137 CO 0.12 -1.77 0.00 -0.24 -1.23 0.00 0.00 174.94 171.82 2hsd n SER 138 N 9.75 0.00 -3.87 3.58 2.88 0.11 -4.85 113.62 121.20 2hsd n SER 138 Ca 0.34 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.79 2hsd n SER 138 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 2hsd n SER 138 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2hsd s SER 139 N -1.00 -0.08 0.05 -3.46 0.15 -1.25 -4.30 113.70 103.81 2hsd s SER 139 Ca 0.00 -0.89 0.20 0.00 0.70 0.00 0.00 55.95 55.96 2hsd s SER 139 Cb 0.00 0.64 0.85 0.00 -1.71 0.00 0.00 66.02 65.79 2hsd s SER 139 CO 0.00 -1.23 1.64 0.00 1.20 0.00 0.00 173.24 174.86 2hsd n ALA 140 N -0.42 1.88 0.46 5.45 0.00 -0.91 -1.78 120.51 125.19 2hsd n ALA 140 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2hsd n ALA 140 Cb 0.61 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 18.99 2hsd n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hsd h ALA 141 N 2.61 0.86 -0.60 0.00 0.00 -1.85 -3.18 119.26 117.11 2hsd h ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hsd h ALA 141 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2hsd h ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2hsd n GLY 142 N 1.25 1.98 0.00 0.00 0.00 -0.74 -4.24 105.19 103.44 2hsd n GLY 142 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.37 2hsd n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hsd n LEU 143 N 1.41 0.19 -3.83 0.99 4.77 -1.20 -4.54 117.00 114.79 2hsd n LEU 143 Ca 0.22 -0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 55.68 2hsd n LEU 143 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2hsd n LEU 143 CO 0.15 0.05 0.54 0.00 -1.33 0.00 0.00 177.39 176.80 2hsd s MET 144 N -1.50 1.69 -0.63 3.23 0.23 -1.25 -5.10 119.30 115.97 2hsd s MET 144 Ca 0.01 -0.96 -0.27 0.00 -1.03 0.00 0.00 55.69 53.45 2hsd s MET 144 Cb 0.03 0.56 0.04 0.00 -1.53 0.00 0.00 34.83 33.93 2hsd s MET 144 CO 0.18 -0.78 1.15 0.20 -2.03 0.00 0.00 175.02 173.75 2hsd s GLY 145 N -2.96 1.13 -0.15 3.16 0.00 -1.26 -4.69 107.32 102.54 2hsd s GLY 145 Ca 0.12 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.55 2hsd s GLY 145 CO 0.06 2.43 0.26 1.08 0.00 0.00 0.00 173.10 176.93 2hsd s LEU 146 N 4.94 4.27 0.63 0.66 1.43 -1.26 -5.08 118.68 124.27 2hsd s LEU 146 Ca 0.36 0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 2hsd s LEU 146 Cb -0.09 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2hsd s LEU 146 CO 0.20 0.16 1.11 0.00 0.23 0.00 0.00 176.35 178.05 2hsd s ALA 147 N 0.19 2.53 0.00 4.21 0.00 -1.26 -3.48 121.76 123.95 2hsd s ALA 147 Ca 0.15 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2hsd s ALA 147 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2hsd s ALA 147 CO 0.04 -1.14 0.00 1.28 0.00 0.00 0.00 175.76 175.94 2hsd n LEU 148 N -2.13 0.71 -0.00 0.00 4.77 -1.26 -4.81 117.00 114.28 2hsd n LEU 148 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2hsd n LEU 148 Cb 0.52 -1.53 0.17 0.00 -2.33 0.00 0.00 43.42 40.24 2hsd n LEU 148 CO 0.46 -0.55 0.35 0.35 -1.33 0.00 0.00 177.39 176.67 2hsd n THR 149 N -2.16 0.00 0.00 -5.08 -2.24 -1.23 -0.86 114.28 102.72 2hsd n THR 149 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hsd n THR 149 Cb 0.19 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2hsd n THR 149 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hsd n SER 150 N -1.50 0.00 -0.26 3.42 2.88 -1.26 0.50 113.62 117.41 2hsd n SER 150 Ca 0.05 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.52 2hsd n SER 150 Cb 0.33 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.85 2hsd n SER 150 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2hsd h SER 151 N 0.00 1.09 -0.30 -3.46 4.64 -1.92 -1.51 113.55 112.09 2hsd h SER 151 Ca 0.00 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 2hsd h SER 151 Cb 0.00 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 2hsd h SER 151 CO 0.00 1.03 0.04 0.22 -0.87 0.00 0.00 176.83 177.25 2hsd h TYR 152 N 1.09 0.61 0.37 4.77 3.20 -0.28 -0.84 116.97 125.89 2hsd h TYR 152 Ca 0.23 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 2hsd h TYR 152 Cb 0.36 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2hsd h TYR 152 CO 0.03 0.57 -0.18 0.78 -1.64 0.00 0.00 178.16 177.72 2hsd h GLY 153 N 0.85 -0.52 -0.49 1.82 0.00 -0.34 -2.22 103.07 102.18 2hsd h GLY 153 Ca 0.13 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.73 2hsd h GLY 153 CO 0.01 -0.19 -0.46 0.00 0.00 0.00 0.00 176.54 175.89 2hsd h ALA 154 N -0.47 -0.43 -0.48 3.60 0.00 -0.99 -0.59 119.26 119.91 2hsd h ALA 154 Ca -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2hsd h ALA 154 Cb 0.54 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2hsd h ALA 154 CO 0.08 -0.88 0.25 0.66 0.00 0.00 0.00 179.25 179.36 2hsd h SER 155 N -0.26 0.58 0.29 0.00 4.64 -1.22 -1.30 113.55 116.29 2hsd h SER 155 Ca 0.16 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 2hsd h SER 155 Cb 0.57 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2hsd h SER 155 CO -0.67 0.49 -0.48 0.11 -0.87 0.00 0.00 176.83 175.40 2hsd h LYS 156 N 0.66 0.22 -0.07 4.77 1.79 -0.49 0.47 116.57 123.92 2hsd h LYS 156 Ca 0.17 -0.12 -0.18 0.00 -2.18 0.00 0.00 60.65 58.34 2hsd h LYS 156 Cb 0.04 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2hsd h LYS 156 CO -0.03 0.66 -0.73 -1.49 -1.08 0.00 0.00 179.45 176.79 2hsd h TRP 157 N 0.18 0.53 0.51 -1.35 4.06 -1.04 -2.62 115.95 116.22 2hsd h TRP 157 Ca 0.01 -0.23 -0.02 0.00 2.06 0.00 0.00 58.89 60.70 2hsd h TRP 157 Cb 0.92 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 29.00 2hsd h TRP 157 CO 0.02 0.99 -0.28 0.78 -3.56 0.00 0.00 178.44 176.38 2hsd h GLY 158 N 1.31 -0.77 0.91 1.49 0.00 -0.05 -1.70 103.07 104.25 2hsd h GLY 158 Ca -0.03 0.31 0.12 0.00 0.00 0.00 0.00 47.33 47.72 2hsd h GLY 158 CO 0.12 -0.28 0.44 -2.08 0.00 0.00 0.00 176.54 174.74 2hsd h VAL 159 N -0.73 0.85 0.13 4.60 2.07 -0.11 -1.26 116.25 121.79 2hsd h VAL 159 Ca -0.06 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2hsd h VAL 159 Cb 0.58 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2hsd h VAL 159 CO 0.09 0.07 -0.06 -0.09 0.02 0.00 0.00 177.57 177.60 2hsd h ARG 160 N 0.39 -0.17 -0.85 1.57 2.43 -1.10 -3.03 114.38 113.62 2hsd h ARG 160 Ca 0.31 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2hsd h ARG 160 Cb 0.67 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2hsd h ARG 160 CO -0.09 0.29 0.44 0.78 -1.51 0.00 0.00 179.97 179.88 2hsd h GLY 161 N -0.75 1.29 2.00 2.80 0.00 -1.13 -2.68 103.07 104.60 2hsd h GLY 161 Ca -0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 2hsd h GLY 161 CO 0.03 0.58 -0.02 -2.00 0.00 0.00 0.00 176.54 175.13 2hsd h LEU 162 N 1.20 0.00 0.06 3.11 5.85 -1.32 -2.04 115.31 122.17 2hsd h LEU 162 Ca 0.30 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.75 2hsd h LEU 162 Cb 0.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.11 2hsd h LEU 162 CO -0.04 0.02 -1.19 0.28 -0.34 0.00 0.00 178.44 177.17 2hsd h SER 163 N 0.00 0.49 -0.36 1.25 0.02 -1.34 -3.08 113.55 110.52 2hsd h SER 163 Ca -0.00 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 2hsd h SER 163 Cb 0.14 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2hsd h SER 163 CO 0.00 1.35 -0.09 0.11 -1.14 0.00 0.00 176.83 177.06 2hsd h LYS 164 N 0.12 0.69 -0.35 3.45 1.57 -1.36 -0.69 116.57 120.01 2hsd h LYS 164 Ca -0.13 -0.27 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 2hsd h LYS 164 Cb 1.89 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 2hsd h LYS 164 CO 0.20 0.85 -0.43 1.37 -0.57 0.00 0.00 179.45 180.87 2hsd h LEU 165 N 0.48 0.99 -1.56 2.94 -0.00 -1.62 -1.63 115.31 114.92 2hsd h LEU 165 Ca 0.09 -0.49 -0.03 0.00 -0.00 0.00 0.00 57.88 57.45 2hsd h LEU 165 Cb 0.60 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2hsd h LEU 165 CO 0.04 1.28 -0.07 0.00 -0.00 0.00 0.00 178.44 179.69 2hsd h ALA 166 N 0.74 1.64 0.01 0.17 0.00 -1.52 0.16 119.26 120.47 2hsd h ALA 166 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2hsd h ALA 166 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2hsd h ALA 166 CO 0.10 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 179.61 2hsd h ALA 167 N 1.74 -0.02 -0.49 0.00 0.00 -0.81 -0.78 119.26 118.90 2hsd h ALA 167 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2hsd h ALA 167 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2hsd h ALA 167 CO 0.01 -0.32 0.25 -0.24 0.00 0.00 0.00 179.25 178.95 2hsd h VAL 168 N -0.39 1.18 0.52 0.00 3.04 -0.58 -1.54 116.25 118.47 2hsd h VAL 168 Ca -0.00 -0.49 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 2hsd h VAL 168 Cb 0.38 0.60 0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2hsd h VAL 168 CO 0.00 0.20 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.18 2hsd h GLU 169 N 0.65 -0.67 -0.07 4.17 5.08 -0.70 -3.22 114.58 119.82 2hsd h GLU 169 Ca 0.17 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2hsd h GLU 169 Cb 0.09 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2hsd h GLU 169 CO -0.02 -0.41 0.00 1.28 -1.00 0.00 0.00 179.01 178.85 2hsd n LEU 170 N -5.36 0.57 -0.08 1.33 4.77 -0.30 -4.37 117.00 113.56 2hsd n LEU 170 Ca -0.12 -0.25 0.11 0.00 -0.03 0.00 0.00 56.01 55.72 2hsd n LEU 170 Cb 0.31 -0.04 0.49 0.00 -2.33 0.00 0.00 43.42 41.84 2hsd n LEU 170 CO 0.36 0.12 1.19 1.23 -1.33 0.00 0.00 177.39 178.96 2hsd h GLY 171 N 5.40 0.59 1.11 -0.72 0.00 -1.28 -1.79 103.07 106.37 2hsd h GLY 171 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2hsd h GLY 171 CO 0.00 0.11 -0.18 -1.30 0.00 0.00 0.00 176.54 175.17 2hsd n THR 172 N -4.47 0.00 0.73 4.70 -2.24 -1.26 -2.94 114.28 108.79 2hsd n THR 172 Ca 0.09 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 2hsd n THR 172 Cb 0.34 -0.07 0.21 0.00 -2.10 0.00 0.00 70.33 68.71 2hsd n THR 172 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hsd n ASP 173 N -1.17 3.00 -1.24 3.42 8.00 -0.69 -4.93 116.55 122.95 2hsd n ASP 173 Ca 0.11 -1.94 -0.14 0.00 0.71 0.00 0.00 54.79 53.53 2hsd n ASP 173 Cb 0.31 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 2hsd n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hsd n ARG 174 N 1.24 -1.03 -3.27 -1.24 1.74 -1.15 -3.90 116.66 109.05 2hsd n ARG 174 Ca 0.17 0.92 -0.42 0.00 -0.77 0.00 0.00 57.85 57.75 2hsd n ARG 174 Cb 0.56 -5.07 -0.08 0.00 -1.02 0.00 0.00 32.46 26.85 2hsd n ARG 174 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2hsd s ILE 175 N -2.58 5.03 -0.01 0.55 1.01 -1.10 -2.56 121.20 121.54 2hsd s ILE 175 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 2hsd s ILE 175 Cb 0.00 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2hsd s ILE 175 CO 0.00 -0.36 0.53 -0.13 0.00 0.00 0.00 174.94 174.98 2hsd s ARG 176 N 2.32 4.22 -0.08 2.79 0.52 -0.42 -4.22 118.95 124.09 2hsd s ARG 176 Ca 0.16 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 2hsd s ARG 176 Cb -0.16 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.01 2hsd s ARG 176 CO 0.14 0.43 -0.06 0.08 0.02 0.00 0.00 175.30 175.92 2hsd s VAL 177 N -0.35 0.78 0.16 3.52 1.01 -1.26 -0.04 120.40 124.22 2hsd s VAL 177 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2hsd s VAL 177 Cb -0.17 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2hsd s VAL 177 CO 0.15 0.31 0.08 0.20 0.00 0.00 0.00 175.10 175.85 2hsd s ASN 178 N 1.45 0.30 0.04 3.32 -0.87 -0.80 -1.44 114.94 116.95 2hsd s ASN 178 Ca -0.01 -1.28 0.08 0.00 -1.57 0.00 0.00 52.86 50.08 2hsd s ASN 178 Cb -0.13 0.32 -0.03 0.00 -0.02 0.00 0.00 41.25 41.39 2hsd s ASN 178 CO -0.04 -0.77 -0.22 -0.94 -2.57 0.00 0.00 177.10 172.56 2hsd s SER 179 N -3.10 2.69 -0.08 -1.22 1.04 -0.66 -1.62 113.70 110.75 2hsd s SER 179 Ca 0.30 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 2hsd s SER 179 Cb 0.07 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 2hsd s SER 179 CO 0.06 0.19 -0.05 -0.69 0.98 0.00 0.00 173.24 173.73 2hsd s VAL 180 N -0.80 3.85 -0.41 5.02 1.01 0.15 -2.24 120.40 126.97 2hsd s VAL 180 Ca 0.09 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2hsd s VAL 180 Cb -0.09 -2.59 0.12 0.00 0.00 0.00 0.00 36.38 33.81 2hsd s VAL 180 CO 0.02 0.59 0.16 -1.00 0.00 0.00 0.00 175.10 174.87 2hsd s HIS 181 N -0.75 3.00 0.11 5.22 3.76 0.18 0.03 115.29 126.86 2hsd s HIS 181 Ca 0.11 -2.80 -0.30 0.00 -0.15 0.00 0.00 55.06 51.92 2hsd s HIS 181 Cb -0.11 -2.56 -0.06 0.00 1.11 0.00 0.00 32.58 30.95 2hsd s HIS 181 CO 0.02 -0.84 1.07 -2.14 -0.85 0.00 0.00 174.74 172.00 2hsd s PRO 182 N 0.50 4.58 0.00 8.40 0.02 -1.26 -1.47 135.00 145.77 2hsd s PRO 182 Ca 0.14 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.79 2hsd s PRO 182 Cb -0.22 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 30.96 2hsd s PRO 182 CO -0.06 0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 2hsd n GLY 183 N 2.45 1.16 3.69 0.52 0.00 -0.25 -2.15 105.19 110.62 2hsd n GLY 183 Ca 0.04 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2hsd n GLY 183 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2hsd s MET 184 N 1.13 4.22 0.01 1.61 1.75 -1.26 -4.90 119.30 121.85 2hsd s MET 184 Ca 0.00 2.28 0.03 0.00 -1.25 0.00 0.00 55.69 56.74 2hsd s MET 184 Cb 0.00 -3.52 -0.01 0.00 2.84 0.00 0.00 34.83 34.14 2hsd s MET 184 CO 0.00 -0.68 -0.09 0.99 -0.65 0.00 0.00 175.02 174.59 2hsd s THR 185 N 2.35 0.70 -0.23 10.11 2.01 -1.26 -1.01 115.64 128.31 2hsd s THR 185 Ca 0.72 -0.60 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 2hsd s THR 185 Cb -0.39 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 2hsd s THR 185 CO 0.31 0.04 0.86 -0.47 -0.69 0.00 0.00 174.62 174.67 2hsd s TYR 186 N -0.53 3.33 -0.08 4.92 5.04 0.57 -4.81 117.35 125.79 2hsd s TYR 186 Ca 0.00 1.19 -0.06 0.00 -2.44 0.00 0.00 57.07 55.77 2hsd s TYR 186 Cb -0.05 -3.08 0.03 0.00 0.35 0.00 0.00 41.96 39.21 2hsd s TYR 186 CO 0.00 -0.39 0.21 -0.08 -1.34 0.00 0.00 175.55 173.95 2hsd s THR 187 N 2.81 -0.02 0.48 4.34 -1.32 -1.26 -4.30 115.64 116.38 2hsd s THR 187 Ca 0.36 0.07 0.42 0.00 -1.21 0.00 0.00 61.69 61.33 2hsd s THR 187 Cb -0.15 -0.31 0.61 0.00 -1.51 0.00 0.00 72.50 71.13 2hsd s THR 187 CO 0.08 0.03 1.32 -2.65 -2.21 0.00 0.00 174.62 171.19 2hsd n PRO 188 N 3.55 0.00 -0.07 7.08 -0.02 -1.26 0.38 135.00 144.67 2hsd n PRO 188 Ca -0.19 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2hsd n PRO 188 Cb 0.56 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 2hsd n PRO 188 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hsd h MET 189 N 0.00 0.37 0.00 -0.52 -0.00 -1.96 -1.89 114.93 110.94 2hsd h MET 189 Ca 0.77 -0.13 0.00 0.00 -0.00 0.00 0.00 59.70 60.35 2hsd h MET 189 Cb 3.20 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 34.77 2hsd h MET 189 CO -0.01 0.59 0.00 1.79 -0.00 0.00 0.00 176.91 179.28 2hsd h THR 190 N 0.12 0.00 -0.49 -0.10 1.35 -0.39 0.07 112.91 113.47 2hsd h THR 190 Ca 0.06 -0.44 -0.06 0.00 -0.55 0.00 0.00 66.41 65.41 2hsd h THR 190 Cb 0.43 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2hsd h THR 190 CO 0.01 0.00 0.06 0.00 -0.25 0.00 0.00 175.52 175.35 2hsd h ALA 191 N 2.09 0.66 -0.39 6.62 0.00 -0.70 -1.45 119.26 126.08 2hsd h ALA 191 Ca 0.00 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 2hsd h ALA 191 Cb 0.48 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 2hsd h ALA 191 CO 0.00 0.41 1.66 0.39 0.00 0.00 0.00 179.25 181.71 2hsd n GLU 192 N -4.40 3.40 0.00 0.00 -0.58 0.01 -1.77 120.64 117.30 2hsd n GLU 192 Ca 0.01 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.23 2hsd n GLU 192 Cb 0.27 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 2hsd n GLU 192 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2hsd n THR 193 N 1.95 0.00 0.00 2.62 -1.04 -0.77 -4.95 114.28 112.09 2hsd n THR 193 Ca 0.59 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 2hsd n THR 193 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 2hsd n THR 193 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hsd n GLY 194 N -0.56 0.47 3.77 3.41 0.00 -0.73 -5.11 105.19 106.44 2hsd n GLY 194 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2hsd n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hsd s ILE 195 N -1.43 2.96 -0.02 -0.61 -1.09 -0.62 -5.01 121.20 115.38 2hsd s ILE 195 Ca 0.00 0.93 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2hsd s ILE 195 Cb 0.00 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 2hsd s ILE 195 CO 0.00 0.19 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.57 2hsd s ARG 196 N -1.86 1.65 0.25 2.79 0.52 -1.26 -4.43 118.95 116.61 2hsd s ARG 196 Ca 0.50 -0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 54.89 2hsd s ARG 196 Cb -0.36 -1.56 -0.08 0.00 0.52 0.00 0.00 34.95 33.47 2hsd s ARG 196 CO 0.47 0.40 0.63 1.14 0.02 0.00 0.00 175.30 177.96 2hsd s GLN 197 N -0.40 3.92 0.00 3.54 -2.07 -1.26 -4.36 119.66 119.03 2hsd s GLN 197 Ca 0.06 0.47 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 2hsd s GLN 197 Cb -0.08 -2.61 0.00 0.00 -1.09 0.00 0.00 33.01 29.23 2hsd s GLN 197 CO -0.00 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.66 2hsd n GLY 198 N -0.08 3.47 3.52 2.60 0.00 -1.26 -4.91 105.19 108.54 2hsd n GLY 198 Ca 0.01 -1.76 -0.49 0.00 0.00 0.00 0.00 46.02 43.79 2hsd n GLY 198 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hsd n GLU 199 N -1.09 0.77 -0.57 1.61 4.07 -1.26 -1.61 120.64 122.56 2hsd n GLU 199 Ca 0.00 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 2hsd n GLU 199 Cb 0.00 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 2hsd n GLU 199 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hsd n GLY 200 N 1.75 0.00 0.00 8.31 0.00 -1.17 -4.81 105.19 109.28 2hsd n GLY 200 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2hsd n GLY 200 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hsd n ASN 201 N -0.16 0.00 -2.97 1.61 3.02 -0.64 -3.89 115.26 112.24 2hsd n ASN 201 Ca 0.00 -0.80 -0.12 0.00 -0.03 0.00 0.00 54.58 53.63 2hsd n ASN 201 Cb 0.12 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 2hsd n ASN 201 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2hsd s TYR 202 N -2.00 -0.70 -0.48 3.10 6.14 0.35 -4.57 117.35 119.18 2hsd s TYR 202 Ca 0.30 -1.17 0.20 0.00 0.64 0.00 0.00 57.07 57.04 2hsd s TYR 202 Cb 0.14 -0.10 0.92 0.00 0.42 0.00 0.00 41.96 43.34 2hsd s TYR 202 CO 0.23 -1.13 1.60 -0.35 0.64 0.00 0.00 175.55 176.54 2hsd n PRO 203 N 2.91 0.13 -0.49 4.97 -0.04 -1.23 -2.67 135.00 138.58 2hsd n PRO 203 Ca 0.22 0.49 -0.01 0.00 -0.04 0.00 0.00 63.50 64.17 2hsd n PRO 203 Cb 0.53 -1.83 0.17 0.00 -0.04 0.00 0.00 33.50 32.34 2hsd n PRO 203 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hsd n ASN 204 N -2.10 3.37 -3.84 3.54 3.02 -1.26 -4.72 115.26 113.28 2hsd n ASN 204 Ca 0.01 -2.55 -0.13 0.00 -0.03 0.00 0.00 54.58 51.87 2hsd n ASN 204 Cb 0.13 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 38.54 2hsd n ASN 204 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2hsd s THR 205 N -1.81 -0.02 0.12 3.41 -1.32 -1.23 -4.79 115.64 109.99 2hsd s THR 205 Ca 0.27 0.07 -0.22 0.00 -1.21 0.00 0.00 61.69 60.61 2hsd s THR 205 Cb 0.22 -0.03 -0.04 0.00 -1.51 0.00 0.00 72.50 71.13 2hsd s THR 205 CO 0.07 0.03 1.12 -2.65 -2.21 0.00 0.00 174.62 170.98 2hsd n PRO 206 N 3.45 -0.32 0.09 7.08 -0.02 -1.21 -0.32 135.00 143.75 2hsd n PRO 206 Ca -0.17 1.10 0.06 0.00 -2.02 0.00 0.00 63.50 62.46 2hsd n PRO 206 Cb 0.57 -1.62 0.29 0.00 -0.02 0.00 0.00 33.50 32.72 2hsd n PRO 206 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2hsd n MET 207 N -4.91 0.07 -0.09 -0.52 2.81 -0.84 -4.88 117.12 108.75 2hsd n MET 207 Ca 0.02 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 2hsd n MET 207 Cb 0.19 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 2hsd n MET 207 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hsd n GLY 208 N -1.38 1.95 3.54 3.03 0.00 0.56 -4.79 105.19 108.10 2hsd n GLY 208 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2hsd n GLY 208 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hsd s ARG 209 N -0.30 1.42 0.66 1.61 1.04 -1.09 -0.50 118.95 121.79 2hsd s ARG 209 Ca 0.00 -0.94 -0.14 0.00 -1.04 0.00 0.00 55.73 53.60 2hsd s ARG 209 Cb 0.00 0.51 -0.00 0.00 -2.04 0.00 0.00 34.95 33.42 2hsd s ARG 209 CO 0.00 -0.60 1.09 0.14 -0.04 0.00 0.00 175.30 175.89 2hsd s VAL 210 N -3.90 3.47 0.59 4.99 -7.23 -1.26 -4.86 120.40 112.20 2hsd s VAL 210 Ca 0.12 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 2hsd s VAL 210 Cb -0.01 -3.18 0.05 0.00 0.56 0.00 0.00 36.38 33.80 2hsd s VAL 210 CO -0.00 -0.46 0.83 -0.83 -0.31 0.00 0.00 175.10 174.33 2hsd s GLY 211 N -2.82 1.80 0.19 2.32 0.00 -0.18 -4.69 107.32 103.95 2hsd s GLY 211 Ca 0.65 -1.34 0.06 0.00 0.00 0.00 0.00 44.72 44.08 2hsd s GLY 211 CO 0.43 -1.00 0.15 -0.54 0.00 0.00 0.00 173.10 172.14 2hsd s GLU 213 N -4.87 2.90 0.44 2.90 0.41 -1.26 -0.31 118.70 118.90 2hsd s GLU 213 Ca 0.59 -0.94 0.18 0.00 -0.41 0.00 0.00 54.97 54.39 2hsd s GLU 213 Cb -0.10 -2.61 1.12 0.00 -1.78 0.00 0.00 34.13 30.76 2hsd s GLU 213 CO 0.40 0.46 1.93 -1.35 -0.49 0.00 0.00 175.26 176.20 2hsd h PRO 214 N 2.12 0.33 0.00 0.39 0.11 -1.97 0.67 132.00 133.65 2hsd h PRO 214 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2hsd h PRO 214 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2hsd h PRO 214 CO 0.62 0.22 -0.22 0.78 -0.21 0.00 0.00 178.00 179.19 2hsd h GLY 215 N 0.34 0.00 1.75 -0.55 0.00 -1.95 -1.62 103.07 101.05 2hsd h GLY 215 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.56 2hsd h GLY 215 CO -0.10 0.00 -0.51 0.83 0.00 0.00 0.00 176.54 176.75 2hsd h GLU 216 N 0.00 0.27 0.02 4.80 5.08 -1.26 -2.54 114.58 120.95 2hsd h GLU 216 Ca -0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2hsd h GLU 216 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2hsd h GLU 216 CO 0.03 0.72 -0.14 0.82 -1.00 0.00 0.00 179.01 179.44 2hsd h ILE 217 N 0.21 1.74 -0.89 3.13 1.08 -1.47 -3.34 117.51 117.97 2hsd h ILE 217 Ca 0.01 -2.37 0.16 0.00 -0.39 0.00 0.00 64.86 62.27 2hsd h ILE 217 Cb 0.98 3.34 -0.10 0.00 -3.07 0.00 0.00 36.82 37.97 2hsd h ILE 217 CO 0.08 0.62 0.47 0.00 -0.69 0.00 0.00 178.15 178.62 2hsd h ALA 218 N -0.00 1.38 -1.00 1.87 0.00 -1.31 -0.92 119.26 119.28 2hsd h ALA 218 Ca -0.03 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2hsd h ALA 218 Cb 1.09 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2hsd h ALA 218 CO 0.01 -0.11 0.64 0.78 0.00 0.00 0.00 179.25 180.57 2hsd h GLY 219 N 0.63 1.56 0.65 0.00 0.00 -1.58 -1.80 103.07 102.53 2hsd h GLY 219 Ca 0.50 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2hsd h GLY 219 CO -0.39 0.25 -0.12 0.00 0.00 0.00 0.00 176.54 176.28 2hsd h ALA 220 N 1.50 0.14 -0.92 3.60 0.00 -1.30 -1.98 119.26 120.30 2hsd h ALA 220 Ca 0.46 -0.32 0.17 0.00 0.00 0.00 0.00 54.91 55.22 2hsd h ALA 220 Cb 0.34 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2hsd h ALA 220 CO -0.22 -0.00 0.52 0.28 0.00 0.00 0.00 179.25 179.83 2hsd h VAL 221 N -0.19 0.71 -0.13 0.00 2.07 -1.14 -0.09 116.25 117.48 2hsd h VAL 221 Ca 0.01 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 2hsd h VAL 221 Cb 0.66 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2hsd h VAL 221 CO 0.03 0.13 -0.47 0.58 0.02 0.00 0.00 177.57 177.85 2hsd h VAL 222 N 0.69 1.33 -0.13 2.57 2.07 -1.26 -0.04 116.25 121.48 2hsd h VAL 222 Ca 0.52 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2hsd h VAL 222 Cb 0.78 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2hsd h VAL 222 CO -0.38 0.51 0.08 0.50 0.02 0.00 0.00 177.57 178.30 2hsd h LYS 223 N 0.26 0.17 0.00 1.57 3.11 -0.23 -0.99 116.57 120.46 2hsd h LYS 223 Ca 0.01 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hsd h LYS 223 Cb 0.94 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 2hsd h LYS 223 CO 0.08 0.16 0.00 -0.07 -2.81 0.00 0.00 179.45 176.81 2hsd h LEU 224 N 0.14 0.00 0.00 5.20 3.38 -1.34 -2.48 115.31 120.21 2hsd h LEU 224 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2hsd h LEU 224 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2hsd h LEU 224 CO -0.01 0.00 -0.30 0.25 0.09 0.00 0.00 178.44 178.47 2hsd h LEU 225 N 0.00 0.00-10.61 1.67 5.85 -0.63 -3.47 115.31 108.13 2hsd h LEU 225 Ca 0.00 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.27 2hsd h LEU 225 Cb 0.71 0.00 0.07 0.00 0.37 0.00 0.00 40.66 41.81 2hsd h LEU 225 CO 0.00 0.01 0.10 -0.94 -0.34 0.00 0.00 178.44 177.28 2hsd s SER 226 N -5.97 4.72 0.00 1.25 1.04 -0.41 -4.84 113.70 109.49 2hsd s SER 226 Ca 0.05 -0.00 0.31 0.00 0.48 0.00 0.00 55.95 56.78 2hsd s SER 226 Cb 0.06 -0.60 1.63 0.00 0.10 0.00 0.00 66.02 67.22 2hsd s SER 226 CO 0.71 -1.59 2.08 0.47 0.98 0.00 0.00 173.24 175.88 2hsd n ASP 227 N -2.74 0.40 0.09 7.02 8.00 -1.26 -3.45 116.55 124.61 2hsd n ASP 227 Ca 0.11 -1.05 -0.04 0.00 0.71 0.00 0.00 54.79 54.52 2hsd n ASP 227 Cb 0.60 -0.02 0.14 0.00 -0.02 0.00 0.00 41.12 41.83 2hsd n ASP 227 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2hsd h THR 228 N 0.61 1.38 -1.17 -3.53 2.02 -1.93 -2.98 112.91 107.31 2hsd h THR 228 Ca 0.00 -1.92 -0.64 0.00 0.77 0.00 0.00 66.41 64.62 2hsd h THR 228 Cb 0.16 1.97 -0.26 0.00 -1.74 0.00 0.00 68.15 68.28 2hsd h THR 228 CO 0.00 0.57 0.83 -1.54 0.37 0.00 0.00 175.52 175.75 2hsd n SER 229 N -3.89 7.44 0.25 4.18 3.41 -1.22 -4.71 113.62 119.07 2hsd n SER 229 Ca -0.02 -3.67 0.08 0.00 -0.26 0.00 0.00 58.87 54.99 2hsd n SER 229 Cb 0.59 -1.03 0.62 0.00 -0.26 0.00 0.00 64.21 64.13 2hsd n SER 229 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2hsd h SER 230 N 2.23 0.02 -0.50 4.04 4.64 -1.74 -2.28 113.55 119.96 2hsd h SER 230 Ca 0.55 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2hsd h SER 230 Cb 0.63 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2hsd h SER 230 CO 1.41 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 177.40 2hsd n TYR 231 N -4.52 1.75 -3.65 4.77 9.36 -1.26 -4.93 117.16 118.68 2hsd n TYR 231 Ca -0.03 -0.76 -0.39 0.00 3.32 0.00 0.00 57.90 60.04 2hsd n TYR 231 Cb 0.10 -0.45 -0.12 0.00 -0.63 0.00 0.00 39.34 38.25 2hsd n TYR 231 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2hsd s VAL 232 N -2.73 4.57 -0.03 2.97 1.01 -0.86 -5.06 120.40 120.28 2hsd s VAL 232 Ca 0.51 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2hsd s VAL 232 Cb 0.39 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2hsd s VAL 232 CO 0.15 0.04 0.37 0.42 0.00 0.00 0.00 175.10 176.07 2hsd s THR 233 N 1.60 0.05 -0.08 3.92 -4.23 -1.26 -4.64 115.64 111.00 2hsd s THR 233 Ca 0.04 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2hsd s THR 233 Cb -0.17 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2hsd s THR 233 CO 0.06 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2hsd n GLY 234 N 1.30 0.41 3.91 3.99 0.00 -0.52 -5.01 105.19 109.28 2hsd n GLY 234 Ca -0.21 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2hsd n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hsd s ALA 235 N -1.76 3.71 -0.19 4.61 0.00 -1.26 -4.85 121.76 122.01 2hsd s ALA 235 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2hsd s ALA 235 Cb 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.99 2hsd s ALA 235 CO 0.00 0.34 -0.07 -1.83 0.00 0.00 0.00 175.76 174.20 2hsd s GLU 236 N -3.41 1.63 -0.35 0.00 -1.05 -1.26 -1.65 118.70 112.60 2hsd s GLU 236 Ca 0.42 -0.69 -0.09 0.00 -0.15 0.00 0.00 54.97 54.45 2hsd s GLU 236 Cb -0.11 -2.23 0.03 0.00 -0.44 0.00 0.00 34.13 31.38 2hsd s GLU 236 CO 0.29 -0.46 0.17 -1.17 0.95 0.00 0.00 175.26 175.04 2hsd s LEU 237 N 1.53 4.51 0.00 1.83 2.96 -0.95 -5.00 118.68 123.56 2hsd s LEU 237 Ca -0.01 -0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 52.70 2hsd s LEU 237 Cb -0.16 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2hsd s LEU 237 CO -0.08 -0.34 0.69 0.00 -1.32 0.00 0.00 176.35 175.30 2hsd s ALA 238 N 1.52 3.40 -0.42 5.97 0.00 -1.26 -0.65 121.76 130.32 2hsd s ALA 238 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.15 2hsd s ALA 238 Cb -0.19 -2.90 0.12 0.00 0.00 0.00 0.00 23.12 20.16 2hsd s ALA 238 CO 0.05 0.06 0.20 0.08 0.00 0.00 0.00 175.76 176.15 2hsd s VAL 239 N 0.11 1.69 0.00 0.00 1.01 -0.54 -4.92 120.40 117.75 2hsd s VAL 239 Ca 0.36 -2.51 0.03 0.00 0.00 0.00 0.00 61.98 59.85 2hsd s VAL 239 Cb -0.19 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.03 2hsd s VAL 239 CO 0.20 -0.80 0.81 -0.90 0.00 0.00 0.00 175.10 174.40 2hsd n ASP 240 N 3.75 -0.27 -2.55 3.32 5.75 -1.26 -1.09 116.55 124.19 2hsd n ASP 240 Ca 0.05 -1.58 -0.16 0.00 -0.01 0.00 0.00 54.79 53.09 2hsd n ASP 240 Cb 0.36 0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2hsd n ASP 240 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hsd n GLY 241 N 0.05 -0.50 1.93 6.12 0.00 -1.26 -1.10 105.19 110.43 2hsd n GLY 241 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2hsd n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsd n GLY 242 N -0.93 0.69 0.29 -0.02 0.00 -1.26 -1.99 105.19 101.96 2hsd n GLY 242 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2hsd n GLY 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2hsd h TRP 243 N 0.00 -0.62 0.00 1.61 7.01 -1.44 -1.73 115.95 120.78 2hsd h TRP 243 Ca 0.00 0.06 -0.14 0.00 2.11 0.00 0.00 58.89 60.92 2hsd h TRP 243 Cb 0.00 0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 2hsd h TRP 243 CO 0.00 -0.33 -0.67 1.15 -2.79 0.00 0.00 178.44 175.81 2hsd h THR 244 N -0.11 1.37 -0.71 2.65 2.02 -1.91 -3.35 112.91 112.86 2hsd h THR 244 Ca 0.25 -2.37 0.09 0.00 0.77 0.00 0.00 66.41 65.14 2hsd h THR 244 Cb 0.50 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 69.18 2hsd h THR 244 CO -0.62 0.65 0.47 0.00 0.37 0.00 0.00 175.52 176.39 2hsd h THR 245 N 0.00 0.96 0.00 3.16 1.03 -1.71 -3.47 112.91 112.87 2hsd h THR 245 Ca -0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2hsd h THR 245 Cb 1.26 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 2hsd h THR 245 CO 0.09 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.32 2hsd n GLY 246 N -1.47 1.50 3.79 2.99 0.00 -1.24 -5.15 105.19 105.61 2hsd n GLY 246 Ca 0.11 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 2hsd n GLY 246 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hsd s PRO 247 N -2.00 3.73 0.48 1.61 0.04 -1.26 -4.83 135.00 132.77 2hsd s PRO 247 Ca 0.00 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.30 2hsd s PRO 247 Cb 0.00 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2hsd s PRO 247 CO 0.00 -0.51 1.10 -2.37 0.04 0.00 0.00 177.00 175.26 2hsd n THR 248 N -0.89 2.90 -0.34 1.26 5.66 -1.26 -4.71 114.28 116.91 2hsd n THR 248 Ca 0.09 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.72 2hsd n THR 248 Cb 0.51 -1.31 0.32 0.00 -1.55 0.00 0.00 70.33 68.30 2hsd n THR 248 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2hsd h VAL 249 N 1.42 0.64 -0.02 1.08 2.07 -1.95 0.66 116.25 120.16 2hsd h VAL 249 Ca -0.47 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2hsd h VAL 249 Cb 1.33 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2hsd h VAL 249 CO 0.56 0.12 0.01 0.50 0.02 0.00 0.00 177.57 178.78 2hsd h LYS 250 N 0.66 0.03 -0.38 1.57 3.64 -1.96 -2.61 116.57 117.52 2hsd h LYS 250 Ca 0.57 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.00 2hsd h LYS 250 Cb 0.95 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 2hsd h LYS 250 CO -0.42 0.21 0.11 -0.92 -2.27 0.00 0.00 179.45 176.16 2hsd h TYR 251 N -0.16 0.19 -0.27 1.91 3.20 -1.61 -1.79 116.97 118.45 2hsd h TYR 251 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 2hsd h TYR 251 Cb 0.19 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2hsd h TYR 251 CO -0.01 0.06 0.26 0.28 -1.64 0.00 0.00 178.16 177.11 2hsd h VAL 252 N 0.25 0.54 0.00 1.81 2.07 -0.68 -1.77 116.25 118.47 2hsd h VAL 252 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2hsd h VAL 252 Cb 0.18 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2hsd h VAL 252 CO -0.20 0.00 -1.00 0.23 0.02 0.00 0.00 177.57 176.61 2hsd n MET 253 N -3.94 0.06 0.00 1.57 2.81 -0.74 -4.96 117.12 111.92 2hsd n MET 253 Ca 0.04 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2hsd n MET 253 Cb 0.41 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2hsd n MET 253 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hsd n GLY 254 N 1.48 0.46 0.00 3.03 0.00 -0.67 -5.11 105.19 104.38 2hsd n GLY 254 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2hsd n GLY 254 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14