#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfu s ILE 2 N 0.00 4.95 -0.24 1.12 -1.09 -1.26 -5.04 121.20 119.64 2jfu s ILE 2 Ca 0.00 1.03 -0.14 0.00 -2.23 0.00 0.00 60.65 59.31 2jfu s ILE 2 Cb 0.00 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2jfu s ILE 2 CO 0.00 -0.06 0.33 -0.60 -1.23 0.00 0.00 174.94 173.38 2jfu s ARG 3 N 2.59 4.09 -0.02 2.79 6.06 -1.26 -5.07 118.95 128.13 2jfu s ARG 3 Ca 0.26 0.02 -0.08 0.00 -2.50 0.00 0.00 55.73 53.44 2jfu s ARG 3 Cb -0.15 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.23 2jfu s ARG 3 CO 0.10 -0.10 0.27 -0.51 -2.50 0.00 0.00 175.30 172.56 2jfu s LEU 4 N 1.53 4.39 -0.34 -0.88 1.43 -1.26 -5.07 118.68 118.49 2jfu s LEU 4 Ca 0.15 0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 53.73 2jfu s LEU 4 Cb -0.15 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 2jfu s LEU 4 CO 0.08 0.30 0.32 -0.89 0.23 0.00 0.00 176.35 176.39 2jfu s THR 5 N -1.20 5.21 -0.28 5.49 2.01 -1.26 -4.30 115.64 121.31 2jfu s THR 5 Ca 0.24 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2jfu s THR 5 Cb -0.14 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.68 2jfu s THR 5 CO 0.13 -0.04 -0.03 -0.62 -0.69 0.00 0.00 174.62 173.37 2jfu s ASP 6 N 1.73 4.32 0.00 3.53 -1.08 -0.27 -4.97 116.67 119.92 2jfu s ASP 6 Ca 0.10 -1.57 0.13 0.00 -0.52 0.00 0.00 52.55 50.69 2jfu s ASP 6 Cb -0.17 -1.39 0.43 0.00 -1.46 0.00 0.00 42.92 40.33 2jfu s ASP 6 CO 0.11 -0.28 1.33 -0.46 0.52 0.00 0.00 175.17 176.39 2jfu n ASN 7 N 4.49 1.72 -4.75 -0.34 6.94 -1.26 -3.20 115.26 118.86 2jfu n ASN 7 Ca -0.07 -1.91 -0.37 0.00 -0.02 0.00 0.00 54.58 52.21 2jfu n ASN 7 Cb 0.43 -0.19 0.03 0.00 -2.36 0.00 0.00 39.78 37.69 2jfu n ASN 7 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jfu s ARG 8 N -1.62 3.16 0.71 -3.83 0.52 -1.26 -4.72 118.95 111.90 2jfu s ARG 8 Ca 0.25 1.98 -0.11 0.00 -0.52 0.00 0.00 55.73 57.33 2jfu s ARG 8 Cb 0.13 -2.14 0.01 0.00 0.52 0.00 0.00 34.95 33.48 2jfu s ARG 8 CO 0.18 -1.10 1.06 -1.25 0.02 0.00 0.00 175.30 174.22 2jfu s PRO 9 N -3.05 2.85 -0.12 3.54 0.04 -1.26 -4.61 135.00 132.39 2jfu s PRO 9 Ca 0.73 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 2jfu s PRO 9 Cb -0.34 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2jfu s PRO 9 CO 0.39 -1.13 0.26 0.42 0.04 0.00 0.00 177.00 176.98 2jfu s ILE 10 N -3.09 5.31 0.03 0.56 1.01 -0.22 -1.38 121.20 123.42 2jfu s ILE 10 Ca 0.58 0.48 -0.02 0.00 0.00 0.00 0.00 60.65 61.70 2jfu s ILE 10 Cb -0.14 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2jfu s ILE 10 CO 0.55 0.49 0.21 -0.83 0.00 0.00 0.00 174.94 175.36 2jfu s GLY 11 N -0.25 2.19 -0.04 6.18 0.00 0.37 -1.93 107.32 113.83 2jfu s GLY 11 Ca 0.17 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2jfu s GLY 11 CO 0.05 -0.71 -0.08 -1.36 0.00 0.00 0.00 173.10 171.00 2jfu s PHE 12 N -1.42 0.99 0.07 1.90 0.40 0.09 -0.29 117.98 119.72 2jfu s PHE 12 Ca 0.31 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.42 2jfu s PHE 12 Cb -0.13 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.60 2jfu s PHE 12 CO 0.23 -0.18 -0.20 0.96 0.70 0.00 0.00 175.22 176.73 2jfu s ILE 13 N 0.62 1.63 -0.04 0.64 -4.36 -0.53 -1.24 121.20 117.91 2jfu s ILE 13 Ca -0.10 -1.37 -0.26 0.00 -0.26 0.00 0.00 60.65 58.66 2jfu s ILE 13 Cb -0.13 -1.46 0.06 0.00 1.25 0.00 0.00 42.46 42.18 2jfu s ILE 13 CO 0.01 0.04 0.57 -0.62 0.24 0.00 0.00 174.94 175.18 2jfu s ASP 14 N -1.57 -0.52 0.26 4.36 -1.08 -0.54 -1.09 116.67 116.49 2jfu s ASP 14 Ca 0.06 0.54 0.11 0.00 -0.52 0.00 0.00 52.55 52.75 2jfu s ASP 14 Cb -0.09 0.48 0.29 0.00 -1.46 0.00 0.00 42.92 42.14 2jfu s ASP 14 CO 0.03 -0.56 1.57 0.77 0.52 0.00 0.00 175.17 177.50 2jfu h SER 15 N 3.28 0.00 0.00 -0.34 4.64 -1.88 -0.36 113.55 118.89 2jfu h SER 15 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2jfu h SER 15 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2jfu h SER 15 CO 0.39 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 2jfu n GLY 16 N 0.47 5.32 0.22 -0.77 0.00 -1.26 -2.42 105.19 106.74 2jfu n GLY 16 Ca -0.01 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.70 2jfu n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jfu n VAL 17 N 0.00 0.00 -0.33 1.61 0.24 -1.26 -4.52 118.33 114.07 2jfu n VAL 17 Ca 0.00 -0.15 0.06 0.00 -2.04 0.00 0.00 64.34 62.21 2jfu n VAL 17 Cb 0.00 1.12 0.22 0.00 -1.47 0.00 0.00 33.84 33.71 2jfu n VAL 17 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2jfu h GLY 18 N 4.55 1.52 1.58 7.63 0.00 -1.97 -1.36 103.07 115.02 2jfu h GLY 18 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2jfu h GLY 18 CO 0.00 0.11 0.12 0.61 0.00 0.00 0.00 176.54 177.38 2jfu n GLY 19 N -1.33 -0.48 0.28 4.60 0.00 -1.26 -1.75 105.19 105.24 2jfu n GLY 19 Ca 0.17 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.37 2jfu n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jfu h LEU 20 N 0.00 0.00 -0.75 0.99 3.38 -1.58 -0.26 115.31 117.09 2jfu h LEU 20 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2jfu h LEU 20 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jfu h LEU 20 CO 0.00 0.06 -0.33 0.71 0.09 0.00 0.00 178.44 178.98 2jfu h THR 21 N 0.00 0.70 -0.10 0.22 1.35 -1.57 -0.10 112.91 113.41 2jfu h THR 21 Ca -0.00 -1.50 -0.24 0.00 -0.55 0.00 0.00 66.41 64.12 2jfu h THR 21 Cb 0.17 1.98 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2jfu h THR 21 CO 0.01 0.32 -0.87 0.58 -0.25 0.00 0.00 175.52 175.31 2jfu h VAL 22 N 0.00 1.28 -0.70 6.82 2.07 -1.26 -2.51 116.25 121.95 2jfu h VAL 22 Ca -0.00 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 2jfu h VAL 22 Cb 0.96 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2jfu h VAL 22 CO 0.04 0.65 0.25 0.58 0.02 0.00 0.00 177.57 179.11 2jfu h VAL 23 N 0.48 1.25 -0.91 2.57 2.07 -1.16 -1.08 116.25 119.47 2jfu h VAL 23 Ca -0.08 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.68 2jfu h VAL 23 Cb 1.50 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2jfu h VAL 23 CO 0.17 0.33 0.57 0.50 0.02 0.00 0.00 177.57 179.17 2jfu h LYS 24 N 1.02 0.98 -0.09 1.57 3.64 -0.91 0.09 116.57 122.87 2jfu h LYS 24 Ca 0.23 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2jfu h LYS 24 Cb 0.26 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2jfu h LYS 24 CO -0.01 0.65 -0.56 0.93 -2.27 0.00 0.00 179.45 178.19 2jfu h GLU 25 N 1.01 0.28 -0.52 1.90 4.39 -0.99 -2.92 114.58 117.73 2jfu h GLU 25 Ca 0.41 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.81 2jfu h GLU 25 Cb 0.23 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2jfu h GLU 25 CO -0.19 0.76 -0.15 0.00 -1.16 0.00 0.00 179.01 178.27 2jfu h ALA 26 N 1.20 0.75 -0.45 3.43 0.00 -0.04 0.15 119.26 124.30 2jfu h ALA 26 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2jfu h ALA 26 Cb 1.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jfu h ALA 26 CO 0.09 0.67 0.20 -0.07 0.00 0.00 0.00 179.25 180.14 2jfu h LEU 27 N 0.89 0.56 0.06 0.00 3.38 -0.92 0.99 115.31 120.27 2jfu h LEU 27 Ca 0.13 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2jfu h LEU 27 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jfu h LEU 27 CO 0.06 0.49 -0.69 0.50 0.09 0.00 0.00 178.44 178.88 2jfu h LYS 28 N 0.63 0.14 0.00 1.13 3.64 -1.31 -3.30 116.57 117.50 2jfu h LYS 28 Ca 0.16 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 2jfu h LYS 28 Cb 0.09 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2jfu h LYS 28 CO -0.02 1.11 -0.78 1.96 -2.27 0.00 0.00 179.45 179.46 2jfu h GLN 29 N -0.68 0.00 -2.15 1.90 4.20 -0.69 -3.37 115.11 114.32 2jfu h GLN 29 Ca -0.15 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.98 2jfu h GLN 29 Cb 1.38 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.75 2jfu h GLN 29 CO 0.03 0.78 -0.77 1.28 -0.67 0.00 0.00 178.83 179.47 2jfu n LEU 30 N -3.41 2.82 0.29 1.46 4.77 0.34 -4.96 117.00 118.30 2jfu n LEU 30 Ca 0.00 -5.28 0.18 0.00 -0.03 0.00 0.00 56.01 50.88 2jfu n LEU 30 Cb 0.80 -0.23 0.88 0.00 -2.33 0.00 0.00 43.42 42.55 2jfu n LEU 30 CO 0.44 2.14 1.15 1.55 -1.33 0.00 0.00 177.39 181.33 2jfu h PRO 31 N 3.82 0.00 -0.22 3.23 0.13 -1.71 -2.30 132.00 134.95 2jfu h PRO 31 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2jfu h PRO 31 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2jfu h PRO 31 CO 0.72 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 2jfu n ASN 32 N -3.16 3.19 -4.83 1.44 3.02 -1.26 -3.45 115.26 110.20 2jfu n ASN 32 Ca -0.00 -1.97 -0.38 0.00 -0.03 0.00 0.00 54.58 52.20 2jfu n ASN 32 Cb 0.35 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 2jfu n ASN 32 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jfu s GLU 33 N -1.65 3.87 0.45 3.52 0.41 -0.87 -3.47 118.70 120.97 2jfu s GLU 33 Ca 0.33 0.25 -0.19 0.00 -0.41 0.00 0.00 54.97 54.94 2jfu s GLU 33 Cb 0.21 -3.25 -0.10 0.00 -1.78 0.00 0.00 34.13 29.21 2jfu s GLU 33 CO 0.30 0.63 0.94 -0.80 -0.49 0.00 0.00 175.26 175.83 2jfu s ASN 34 N -0.78 6.81 -0.01 -0.19 0.01 -1.26 -4.70 114.94 114.82 2jfu s ASN 34 Ca 0.21 1.60 0.03 0.00 -0.71 0.00 0.00 52.86 53.99 2jfu s ASN 34 Cb -0.15 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.00 2jfu s ASN 34 CO 0.10 -0.42 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.55 2jfu s ILE 35 N -2.31 0.73 -0.04 0.60 -1.09 -0.08 -1.05 121.20 117.96 2jfu s ILE 35 Ca 0.60 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.68 2jfu s ILE 35 Cb -0.09 -0.63 0.01 0.00 -1.58 0.00 0.00 42.46 40.16 2jfu s ILE 35 CO 0.20 0.22 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.26 2jfu s LEU 36 N -0.04 1.74 -0.02 2.97 1.43 -0.81 -1.57 118.68 122.38 2jfu s LEU 36 Ca 0.01 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2jfu s LEU 36 Cb -0.06 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.49 2jfu s LEU 36 CO -0.00 0.07 -0.04 0.12 0.23 0.00 0.00 176.35 176.72 2jfu s PHE 37 N 0.32 0.52 -0.09 0.29 5.36 -0.72 -0.73 117.98 122.93 2jfu s PHE 37 Ca -0.06 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 55.84 2jfu s PHE 37 Cb -0.11 -0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.16 2jfu s PHE 37 CO 0.01 -0.07 -0.21 0.08 -1.46 0.00 0.00 175.22 173.57 2jfu s VAL 38 N 0.33 1.85 -0.25 3.12 1.01 -0.37 0.14 120.40 126.23 2jfu s VAL 38 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2jfu s VAL 38 Cb -0.07 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.75 2jfu s VAL 38 CO -0.00 0.51 -0.12 -0.83 0.00 0.00 0.00 175.10 174.66 2jfu s GLY 39 N 0.38 1.62 -0.59 4.51 0.00 -0.02 -1.46 107.32 111.76 2jfu s GLY 39 Ca -0.17 -1.66 -0.07 0.00 0.00 0.00 0.00 44.72 42.82 2jfu s GLY 39 CO 0.08 0.55 3.26 1.34 0.00 0.00 0.00 173.10 178.33 2jfu n ASP 40 N 4.48 6.55 0.29 1.64 2.03 -0.14 -2.31 116.55 129.09 2jfu n ASP 40 Ca -0.15 -2.64 0.19 0.00 0.52 0.00 0.00 54.79 52.71 2jfu n ASP 40 Cb 0.44 -1.43 1.01 0.00 -0.72 0.00 0.00 41.12 40.42 2jfu n ASP 40 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2jfu h THR 41 N 2.31 0.00 0.00 5.18 1.35 -1.76 -0.05 112.91 119.94 2jfu h THR 41 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 2jfu h THR 41 Cb 1.00 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2jfu h THR 41 CO 0.82 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.09 2jfu h ALA 42 N 1.92 1.00 0.00 6.62 0.00 -1.83 -3.20 119.26 123.77 2jfu h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jfu h ALA 42 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jfu h ALA 42 CO 0.00 0.00 -0.08 0.54 0.00 0.00 0.00 179.25 179.71 2jfu n ARG 43 N -2.50 1.22 -2.48 0.00 1.74 -0.07 -5.02 116.66 109.54 2jfu n ARG 43 Ca 0.02 -1.27 -0.40 0.00 -0.77 0.00 0.00 57.85 55.43 2jfu n ARG 43 Cb 0.28 -0.84 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 2jfu n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jfu s PRO 45 N -1.63 3.07 -0.05 0.00 0.04 -1.26 -5.03 135.00 130.14 2jfu s PRO 45 Ca 0.47 -0.37 0.15 0.00 0.04 0.00 0.00 61.00 61.28 2jfu s PRO 45 Cb -0.30 -2.51 -0.22 0.00 0.04 0.00 0.00 34.50 31.52 2jfu s PRO 45 CO 0.39 -0.33 0.58 0.66 0.04 0.00 0.00 177.00 178.34 2jfu n TYR 46 N -2.16 0.78 -0.36 0.56 4.02 -1.26 -4.62 117.16 114.11 2jfu n TYR 46 Ca 0.02 0.28 -0.09 0.00 -0.01 0.00 0.00 57.90 58.09 2jfu n TYR 46 Cb 0.57 -1.11 -0.08 0.00 -0.02 0.00 0.00 39.34 38.71 2jfu n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jfu n GLY 47 N 1.55 -2.21 0.08 2.72 0.00 -1.26 -1.10 105.19 104.97 2jfu n GLY 47 Ca -0.18 1.02 0.09 0.00 0.00 0.00 0.00 46.02 46.96 2jfu n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jfu n PRO 48 N -5.10 0.11 -2.45 1.61 -0.02 -1.26 -4.84 135.00 123.05 2jfu n PRO 48 Ca 0.02 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 2jfu n PRO 48 Cb 0.23 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2jfu n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jfu s ARG 49 N -3.22 3.88 0.52 -0.52 0.52 -0.26 -5.02 118.95 114.85 2jfu s ARG 49 Ca 0.04 1.09 -0.21 0.00 -0.52 0.00 0.00 55.73 56.13 2jfu s ARG 49 Cb 0.08 -2.12 -0.06 0.00 0.52 0.00 0.00 34.95 33.37 2jfu s ARG 49 CO 0.29 -0.33 1.24 -2.14 0.02 0.00 0.00 175.30 174.38 2jfu s PRO 50 N -3.76 3.34 0.37 3.54 0.02 -1.26 -4.78 135.00 132.47 2jfu s PRO 50 Ca 0.62 1.94 0.15 0.00 0.02 0.00 0.00 61.00 63.73 2jfu s PRO 50 Cb -0.12 -2.22 1.04 0.00 0.02 0.00 0.00 34.50 33.22 2jfu s PRO 50 CO 0.27 -0.94 1.74 0.00 -0.33 0.00 0.00 177.00 177.74 2jfu h ALA 51 N 1.54 2.08 -0.76 -1.55 0.00 -1.95 -0.11 119.26 118.51 2jfu h ALA 51 Ca -0.50 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2jfu h ALA 51 Cb 1.28 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2jfu h ALA 51 CO 0.58 -0.53 0.46 0.93 0.00 0.00 0.00 179.25 180.68 2jfu h GLU 52 N 0.45 0.83 -0.16 0.00 3.07 -2.00 -0.29 114.58 116.48 2jfu h GLU 52 Ca 0.63 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.35 2jfu h GLU 52 Cb 1.46 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 2jfu h GLU 52 CO -0.38 0.55 -0.26 1.96 -1.40 0.00 0.00 179.01 179.47 2jfu h GLN 53 N 0.85 0.46 -0.46 2.33 4.20 -1.38 -2.09 115.11 119.03 2jfu h GLN 53 Ca 0.33 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2jfu h GLN 53 Cb 0.14 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 2jfu h GLN 53 CO -0.16 0.88 0.16 0.28 -0.67 0.00 0.00 178.83 179.32 2jfu h VAL 54 N 0.10 0.86 -0.48 -0.54 2.07 -1.09 0.64 116.25 117.81 2jfu h VAL 54 Ca 0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2jfu h VAL 54 Cb 0.84 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2jfu h VAL 54 CO 0.06 0.06 0.20 0.40 0.02 0.00 0.00 177.57 178.32 2jfu h ILE 55 N 0.34 1.20 0.03 4.57 2.04 -1.07 -0.05 117.51 124.58 2jfu h ILE 55 Ca 0.21 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2jfu h ILE 55 Cb 0.21 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2jfu h ILE 55 CO -0.21 0.23 -0.02 -0.61 0.00 0.00 0.00 178.15 177.54 2jfu h GLN 56 N 0.63 -0.05 -0.61 2.37 4.15 -0.74 -0.72 115.11 120.15 2jfu h GLN 56 Ca 0.16 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 2jfu h GLN 56 Cb 0.17 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2jfu h GLN 56 CO -0.02 -0.03 0.12 1.88 -1.93 0.00 0.00 178.83 178.85 2jfu h TYR 57 N -0.05 1.06 -0.59 3.99 0.99 -0.77 -1.49 116.97 120.11 2jfu h TYR 57 Ca -0.00 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.53 2jfu h TYR 57 Cb 0.04 -0.29 -0.03 0.00 1.00 0.00 0.00 36.73 37.45 2jfu h TYR 57 CO -0.08 0.90 0.15 1.15 -0.00 0.00 0.00 178.16 180.28 2jfu h THR 58 N 0.91 1.24 -0.45 -2.88 2.02 -0.89 -2.10 112.91 110.76 2jfu h THR 58 Ca 0.19 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2jfu h THR 58 Cb 0.40 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2jfu h THR 58 CO 0.01 0.32 -0.02 -0.50 0.37 0.00 0.00 175.52 175.70 2jfu h TRP 59 N 0.88 0.79 -0.57 3.16 -0.00 -0.77 -0.62 115.95 118.82 2jfu h TRP 59 Ca 0.19 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.89 58.92 2jfu h TRP 59 Cb 0.31 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.23 2jfu h TRP 59 CO 0.02 0.75 0.16 0.93 -0.00 0.00 0.00 178.44 180.30 2jfu h GLU 60 N 0.69 0.91 -0.47 0.49 5.08 -0.67 0.14 114.58 120.75 2jfu h GLU 60 Ca 0.13 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2jfu h GLU 60 Cb 0.46 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2jfu h GLU 60 CO 0.02 0.83 -0.07 0.52 -1.00 0.00 0.00 179.01 179.31 2jfu h MET 61 N 0.81 0.88 0.19 2.33 2.86 -1.12 -2.04 114.93 118.84 2jfu h MET 61 Ca 0.18 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jfu h MET 61 Cb 0.32 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2jfu h MET 61 CO -0.00 0.96 -0.09 1.15 1.06 0.00 0.00 176.91 179.99 2jfu h THR 62 N 0.73 0.82 -0.95 2.22 2.02 -0.86 -2.25 112.91 114.65 2jfu h THR 62 Ca 0.12 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.34 2jfu h THR 62 Cb 0.61 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 2jfu h THR 62 CO 0.04 0.01 0.61 0.44 0.37 0.00 0.00 175.52 176.99 2jfu h ASP 63 N -0.27 0.96 -0.23 4.18 3.45 -0.68 0.34 116.42 124.17 2jfu h ASP 63 Ca -0.03 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2jfu h ASP 63 Cb 0.21 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 2jfu h ASP 63 CO 0.04 0.61 0.12 0.22 -1.57 0.00 0.00 179.24 178.67 2jfu h TYR 64 N 1.08 0.32 -0.17 4.55 3.20 -1.10 -1.47 116.97 123.39 2jfu h TYR 64 Ca 0.41 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.09 2jfu h TYR 64 Cb 0.19 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2jfu h TYR 64 CO -0.00 0.29 -0.63 -0.07 -1.64 0.00 0.00 178.16 176.10 2jfu h LEU 65 N 0.26 0.68 -0.85 2.82 3.38 -0.93 -2.30 115.31 118.37 2jfu h LEU 65 Ca 0.08 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jfu h LEU 65 Cb 0.08 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2jfu h LEU 65 CO -0.01 1.14 0.56 0.58 0.09 0.00 0.00 178.44 180.80 2jfu h VAL 66 N 0.44 1.18 0.00 1.22 2.07 -0.85 -0.23 116.25 120.08 2jfu h VAL 66 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2jfu h VAL 66 Cb 1.20 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jfu h VAL 66 CO 0.12 0.20 -0.07 -0.33 0.02 0.00 0.00 177.57 177.51 2jfu h GLU 67 N 1.12 0.00 -0.01 1.57 5.08 -1.12 -1.14 114.58 120.08 2jfu h GLU 67 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2jfu h GLU 67 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2jfu h GLU 67 CO -0.09 0.07 -0.02 1.04 -1.00 0.00 0.00 179.01 179.01 2jfu n GLN 68 N -3.24 1.28 -0.31 2.33 1.13 -0.15 -4.94 117.38 113.48 2jfu n GLN 68 Ca -0.00 -0.50 0.00 0.00 -1.94 0.00 0.00 57.00 54.55 2jfu n GLN 68 Cb 0.31 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2jfu n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jfu n GLY 69 N 1.13 0.95 3.77 1.08 0.00 -0.43 -4.96 105.19 106.73 2jfu n GLY 69 Ca 0.20 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2jfu n GLY 69 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jfu s ILE 70 N -2.00 3.09 -0.71 -0.61 -4.36 -1.05 -4.21 121.20 111.35 2jfu s ILE 70 Ca 0.00 0.61 0.14 0.00 -0.26 0.00 0.00 60.65 61.14 2jfu s ILE 70 Cb 0.00 -3.18 -0.13 0.00 1.25 0.00 0.00 42.46 40.39 2jfu s ILE 70 CO 0.00 -0.21 0.60 2.29 0.24 0.00 0.00 174.94 177.86 2jfu n LYS 71 N -1.78 2.42 -3.59 0.37 2.85 -0.48 -4.88 118.16 113.08 2jfu n LYS 71 Ca 0.12 -0.07 -0.16 0.00 -1.05 0.00 0.00 58.31 57.14 2jfu n LYS 71 Cb 0.51 -1.15 -0.07 0.00 -0.65 0.00 0.00 35.03 33.67 2jfu n LYS 71 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2jfu s MET 72 N -2.24 0.92 -0.06 -1.58 0.00 -1.26 -4.23 119.30 110.86 2jfu s MET 72 Ca 0.06 0.46 0.05 0.00 0.00 0.00 0.00 55.69 56.26 2jfu s MET 72 Cb 0.10 0.44 -0.00 0.00 0.00 0.00 0.00 34.83 35.37 2jfu s MET 72 CO 0.54 -0.23 -0.21 -1.17 0.00 0.00 0.00 175.02 173.95 2jfu s LEU 73 N -0.64 1.98 -0.19 4.11 2.96 -0.15 -0.48 118.68 126.26 2jfu s LEU 73 Ca -0.07 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2jfu s LEU 73 Cb -0.02 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.50 2jfu s LEU 73 CO 0.06 0.18 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.45 2jfu s VAL 74 N 0.04 2.63 -0.52 1.68 1.01 0.60 -1.09 120.40 124.75 2jfu s VAL 74 Ca -0.07 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2jfu s VAL 74 Cb -0.14 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.16 2jfu s VAL 74 CO 0.04 0.49 0.66 -0.63 0.00 0.00 0.00 175.10 175.66 2jfu s ILE 75 N 1.34 4.82 -0.87 2.22 1.01 -0.12 -1.46 121.20 128.14 2jfu s ILE 75 Ca 0.05 -0.48 0.27 0.00 0.00 0.00 0.00 60.65 60.49 2jfu s ILE 75 Cb -0.14 -4.34 0.24 0.00 0.01 0.00 0.00 42.46 38.23 2jfu s ILE 75 CO -0.08 -0.87 1.81 0.00 0.00 0.00 0.00 174.94 175.80 2jfu n ALA 76 N 6.31 2.41 -2.70 9.38 0.00 -0.25 -3.52 120.51 132.14 2jfu n ALA 76 Ca -0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 2jfu n ALA 76 Cb 0.45 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 2jfu n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfu h ASN 78 N 3.21 0.48 -0.22 0.00 -0.26 -1.93 -2.21 115.58 114.65 2jfu h ASN 78 Ca -0.47 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.24 2jfu h ASN 78 Cb 1.17 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.31 2jfu h ASN 78 CO 0.60 0.35 0.09 0.74 -1.06 0.00 0.00 177.43 178.15 2jfu h THR 79 N 0.57 1.16 -0.64 2.81 2.02 -1.97 -0.63 112.91 116.22 2jfu h THR 79 Ca 0.16 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2jfu h THR 79 Cb -0.06 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2jfu h THR 79 CO -0.04 0.16 0.24 0.00 0.37 0.00 0.00 175.52 176.25 2jfu h ALA 80 N 0.94 1.22 -0.24 6.16 0.00 -1.94 0.98 119.26 126.37 2jfu h ALA 80 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jfu h ALA 80 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jfu h ALA 80 CO -0.01 0.57 0.09 1.15 0.00 0.00 0.00 179.25 181.05 2jfu h THR 81 N 0.93 1.18 -0.09 0.00 2.02 -1.11 0.84 112.91 116.67 2jfu h THR 81 Ca 0.22 -0.56 -0.16 0.00 0.77 0.00 0.00 66.41 66.67 2jfu h THR 81 Cb 0.20 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2jfu h THR 81 CO -0.02 0.18 -0.65 0.00 0.37 0.00 0.00 175.52 175.41 2jfu h ALA 82 N 0.92 0.71 0.02 6.16 0.00 -0.84 -3.28 119.26 122.96 2jfu h ALA 82 Ca 0.08 -0.57 -0.39 0.00 0.00 0.00 0.00 54.91 54.03 2jfu h ALA 82 Cb 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2jfu h ALA 82 CO -0.00 0.74 -2.28 0.28 0.00 0.00 0.00 179.25 177.99 2jfu n VAL 83 N -3.87 1.56 0.17 0.00 0.31 0.32 -4.79 118.33 112.03 2jfu n VAL 83 Ca -0.03 -0.48 0.06 0.00 -0.01 0.00 0.00 64.34 63.88 2jfu n VAL 83 Cb 0.65 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 2jfu n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jfu n ALA 84 N -3.48 2.82 -0.13 3.52 0.00 0.18 -4.74 120.51 118.69 2jfu n ALA 84 Ca -0.44 -0.32 -0.04 0.00 0.00 0.00 0.00 53.44 52.64 2jfu n ALA 84 Cb 0.94 -0.44 0.02 0.00 0.00 0.00 0.00 19.45 19.97 2jfu n ALA 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfu h LEU 85 N 0.00 -0.47 -0.78 0.00 6.46 -1.33 -2.20 115.31 116.98 2jfu h LEU 85 Ca 0.00 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 2jfu h LEU 85 Cb 0.50 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 2jfu h LEU 85 CO 0.00 -0.17 0.49 -0.33 -0.62 0.00 0.00 178.44 177.81 2jfu h GLU 86 N -0.03 0.90 -0.35 1.25 4.39 -1.85 0.14 114.58 119.04 2jfu h GLU 86 Ca 0.21 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 2jfu h GLU 86 Cb 0.35 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2jfu h GLU 86 CO -0.47 0.60 0.01 1.49 -1.16 0.00 0.00 179.01 179.48 2jfu h GLU 87 N 0.93 0.61 -0.31 2.33 4.81 -1.79 -1.83 114.58 119.34 2jfu h GLU 87 Ca 0.33 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2jfu h GLU 87 Cb 0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2jfu h GLU 87 CO -0.14 0.73 -0.04 0.82 -0.73 0.00 0.00 179.01 179.65 2jfu h ILE 88 N 0.43 1.27 -0.87 2.32 2.04 -1.12 -2.26 117.51 119.31 2jfu h ILE 88 Ca 0.10 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2jfu h ILE 88 Cb 0.44 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2jfu h ILE 88 CO 0.02 0.33 0.56 0.50 0.00 0.00 0.00 178.15 179.56 2jfu h LYS 89 N 0.35 1.16 0.00 2.37 3.64 -0.70 -0.76 116.57 122.62 2jfu h LYS 89 Ca 0.08 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2jfu h LYS 89 Cb 0.50 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2jfu h LYS 89 CO 0.02 0.78 -0.58 0.00 -2.27 0.00 0.00 179.45 177.40 2jfu h ALA 90 N 1.43 1.05 0.07 5.00 0.00 -1.20 -3.30 119.26 122.32 2jfu h ALA 90 Ca 0.32 -0.53 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 2jfu h ALA 90 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2jfu h ALA 90 CO -0.07 0.72 -1.59 0.00 0.00 0.00 0.00 179.25 178.32 2jfu h ALA 91 N 1.42 0.46 -2.32 0.00 0.00 -0.88 -3.47 119.26 114.47 2jfu h ALA 91 Ca -0.01 -1.24 -0.50 0.00 0.00 0.00 0.00 54.91 53.17 2jfu h ALA 91 Cb 1.02 0.35 0.04 0.00 0.00 0.00 0.00 17.79 19.21 2jfu h ALA 91 CO 0.08 1.31 0.29 -0.51 0.00 0.00 0.00 179.25 180.42 2jfu s LEU 92 N -6.69 3.46 0.03 0.00 1.43 -0.34 -4.99 118.68 111.59 2jfu s LEU 92 Ca -0.08 1.26 0.22 0.00 -1.03 0.00 0.00 54.13 54.50 2jfu s LEU 92 Cb 0.07 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 2jfu s LEU 92 CO 0.83 -0.70 0.89 -1.20 0.23 0.00 0.00 176.35 176.40 2jfu n SER 93 N -2.29 0.56 -4.88 2.29 7.64 -1.26 -4.93 113.62 110.75 2jfu n SER 93 Ca 0.04 -0.29 -0.30 0.00 1.01 0.00 0.00 58.87 59.33 2jfu n SER 93 Cb 0.54 1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 64.79 2jfu n SER 93 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2jfu s ILE 94 N -3.23 4.86 0.48 0.44 -4.36 -1.26 -5.04 121.20 113.08 2jfu s ILE 94 Ca 0.02 0.44 -0.23 0.00 -0.26 0.00 0.00 60.65 60.62 2jfu s ILE 94 Cb 0.14 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.05 2jfu s ILE 94 CO 0.84 -0.47 1.27 -2.84 0.24 0.00 0.00 174.94 173.98 2jfu s PRO 95 N -3.78 3.59 -0.05 0.37 0.02 -1.26 -4.85 135.00 129.04 2jfu s PRO 95 Ca 0.49 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.55 2jfu s PRO 95 Cb -0.10 -2.44 0.02 0.00 0.02 0.00 0.00 34.50 32.00 2jfu s PRO 95 CO 0.31 -0.76 -0.05 0.08 -0.33 0.00 0.00 177.00 176.25 2jfu s VAL 96 N -1.39 0.56 0.04 3.83 1.01 -1.26 -0.98 120.40 122.21 2jfu s VAL 96 Ca 0.65 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.55 2jfu s VAL 96 Cb -0.35 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2jfu s VAL 96 CO 0.43 0.24 -0.13 -0.51 0.00 0.00 0.00 175.10 175.12 2jfu s ILE 97 N 1.00 1.01 0.50 2.22 2.07 -0.25 -4.99 121.20 122.76 2jfu s ILE 97 Ca -0.10 -1.00 0.05 0.00 -1.41 0.00 0.00 60.65 58.20 2jfu s ILE 97 Cb -0.14 -0.93 0.05 0.00 0.13 0.00 0.00 42.46 41.57 2jfu s ILE 97 CO -0.00 -0.06 0.44 0.61 -1.91 0.00 0.00 174.94 174.02 2jfu n GLY 98 N 1.84 2.61 1.60 1.50 0.00 -1.26 -0.94 105.19 110.53 2jfu n GLY 98 Ca -0.19 -2.27 -0.15 0.00 0.00 0.00 0.00 46.02 43.41 2jfu n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jfu n VAL 99 N -1.76 2.74 0.02 1.61 0.24 -1.23 -4.64 118.33 115.31 2jfu n VAL 99 Ca 0.02 -3.16 0.00 0.00 -2.04 0.00 0.00 64.34 59.16 2jfu n VAL 99 Cb 0.56 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 2jfu n VAL 99 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jfu n ILE 100 N -0.99 0.45 -0.25 1.34 5.41 -1.26 -4.73 119.36 119.34 2jfu n ILE 100 Ca 0.41 0.15 -0.06 0.00 1.00 0.00 0.00 62.75 64.25 2jfu n ILE 100 Cb 0.98 -1.53 0.05 0.00 -0.71 0.00 0.00 39.64 38.43 2jfu n ILE 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jfu h LEU 101 N 0.00 0.83 -0.62 1.39 3.38 -1.98 -1.53 115.31 116.78 2jfu h LEU 101 Ca 0.00 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jfu h LEU 101 Cb 0.63 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2jfu h LEU 101 CO 0.00 0.67 0.33 -0.65 0.09 0.00 0.00 178.44 178.88 2jfu h PRO 102 N 0.93 0.61 -0.47 1.13 0.11 -1.88 0.17 132.00 132.59 2jfu h PRO 102 Ca 0.24 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 2jfu h PRO 102 Cb 0.00 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2jfu h PRO 102 CO -0.04 0.40 -0.11 0.78 -0.21 0.00 0.00 178.00 178.82 2jfu h GLY 103 N 0.63 0.94 0.89 -0.55 0.00 -1.70 -2.05 103.07 101.22 2jfu h GLY 103 Ca 0.28 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jfu h GLY 103 CO -0.18 0.66 0.08 -0.84 0.00 0.00 0.00 176.54 176.27 2jfu h THR 104 N 0.78 1.16 -0.47 4.70 2.02 -0.57 -1.22 112.91 119.31 2jfu h THR 104 Ca 0.13 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.89 2jfu h THR 104 Cb 0.62 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 2jfu h THR 104 CO 0.04 0.15 0.20 -0.09 0.37 0.00 0.00 175.52 176.19 2jfu h ARG 105 N 0.16 0.38 -0.76 6.66 2.43 -0.58 -1.68 114.38 120.99 2jfu h ARG 105 Ca 0.06 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2jfu h ARG 105 Cb 0.17 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2jfu h ARG 105 CO -0.01 0.25 0.27 0.00 -1.51 0.00 0.00 179.97 178.97 2jfu h ALA 106 N 1.29 1.03 -0.44 2.80 0.00 -1.15 -2.25 119.26 120.54 2jfu h ALA 106 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jfu h ALA 106 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jfu h ALA 106 CO -0.19 0.66 0.17 0.00 0.00 0.00 0.00 179.25 179.89 2jfu h ALA 107 N 1.16 0.57 -0.80 0.00 0.00 -0.75 -1.34 119.26 118.10 2jfu h ALA 107 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jfu h ALA 107 Cb 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jfu h ALA 107 CO -0.01 0.17 0.48 0.28 0.00 0.00 0.00 179.25 180.17 2jfu h VAL 108 N 0.56 1.22 -0.02 0.00 2.07 -1.16 -1.83 116.25 117.09 2jfu h VAL 108 Ca 0.15 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 2jfu h VAL 108 Cb 0.19 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2jfu h VAL 108 CO -0.01 0.23 -0.64 0.11 0.02 0.00 0.00 177.57 177.28 2jfu h LYS 109 N 1.09 0.08 0.00 1.57 1.57 -1.03 -3.33 116.57 116.52 2jfu h LYS 109 Ca 0.29 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2jfu h LYS 109 Cb -0.05 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2jfu h LYS 109 CO -0.05 0.69 -1.39 1.63 -0.57 0.00 0.00 179.45 179.75 2jfu n LYS 110 N -3.80 0.62 -2.13 3.15 5.02 -0.54 -4.94 118.16 115.54 2jfu n LYS 110 Ca -0.02 0.22 -0.40 0.00 -2.02 0.00 0.00 58.31 56.10 2jfu n LYS 110 Cb 0.64 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2jfu n LYS 110 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jfu s THR 111 N -2.95 2.77 -0.09 -0.18 -1.32 -0.72 -4.95 115.64 108.21 2jfu s THR 111 Ca -0.03 0.70 0.01 0.00 -1.21 0.00 0.00 61.69 61.17 2jfu s THR 111 Cb 0.09 -3.42 -0.06 0.00 -1.51 0.00 0.00 72.50 67.60 2jfu s THR 111 CO 0.81 0.11 -0.07 0.00 -2.21 0.00 0.00 174.62 173.27 2jfu n GLN 112 N 0.31 0.54 -0.31 7.08 1.13 -1.26 -4.65 117.38 120.22 2jfu n GLN 112 Ca 0.03 0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.25 2jfu n GLN 112 Cb 0.44 -1.18 0.29 0.00 0.11 0.00 0.00 30.24 29.89 2jfu n GLN 112 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2jfu n ASN 113 N -2.71 3.71 -0.71 1.08 6.94 -1.26 -4.95 115.26 117.37 2jfu n ASN 113 Ca -0.16 -1.99 -0.09 0.00 -0.02 0.00 0.00 54.58 52.32 2jfu n ASN 113 Cb 0.68 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 37.65 2jfu n ASN 113 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jfu n LYS 114 N 1.56 -1.53 -3.30 -3.83 5.02 -1.26 -4.94 118.16 109.88 2jfu n LYS 114 Ca 0.23 0.80 -0.46 0.00 -2.02 0.00 0.00 58.31 56.86 2jfu n LYS 114 Cb 0.61 -5.10 -0.05 0.00 -0.02 0.00 0.00 35.03 30.46 2jfu n LYS 114 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jfu s GLN 115 N -2.67 3.00 -0.06 1.97 -1.52 -1.26 -1.43 119.66 117.69 2jfu s GLN 115 Ca 0.00 -1.59 0.04 0.00 -1.95 0.00 0.00 55.36 51.86 2jfu s GLN 115 Cb 0.00 -4.26 -0.02 0.00 -0.22 0.00 0.00 33.01 28.51 2jfu s GLN 115 CO 0.00 -1.29 -0.15 0.08 -0.25 0.00 0.00 175.29 173.68 2jfu s VAL 116 N 1.72 2.98 0.27 1.09 1.01 -0.67 -1.98 120.40 124.82 2jfu s VAL 116 Ca 0.04 -0.75 0.12 0.00 0.00 0.00 0.00 61.98 61.39 2jfu s VAL 116 Cb -0.28 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2jfu s VAL 116 CO 0.04 0.58 -0.19 -0.83 0.00 0.00 0.00 175.10 174.70 2jfu s GLY 117 N -0.61 1.85 -0.09 4.51 0.00 0.38 -1.37 107.32 111.99 2jfu s GLY 117 Ca 0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 2jfu s GLY 117 CO 0.01 -1.90 0.22 -1.50 0.00 0.00 0.00 173.10 169.93 2jfu s ILE 118 N -2.37 -0.04 0.10 0.90 -1.16 -0.49 -0.18 121.20 117.97 2jfu s ILE 118 Ca 0.29 0.13 0.10 0.00 -0.51 0.00 0.00 60.65 60.66 2jfu s ILE 118 Cb -0.06 -0.34 -0.04 0.00 0.61 0.00 0.00 42.46 42.63 2jfu s ILE 118 CO 0.15 0.05 -0.25 0.27 -2.81 0.00 0.00 174.94 172.35 2jfu s ILE 119 N 1.08 2.35 0.00 2.00 -4.36 -0.68 -1.20 121.20 120.39 2jfu s ILE 119 Ca -0.08 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2jfu s ILE 119 Cb -0.09 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.61 2jfu s ILE 119 CO -0.07 0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.92 2jfu n GLY 120 N 1.21 0.47 3.77 6.27 0.00 -1.10 0.00 105.19 115.81 2jfu n GLY 120 Ca -0.17 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2jfu n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jfu s THR 121 N -2.00 3.39 0.45 2.61 -4.23 -1.26 -0.82 115.64 113.78 2jfu s THR 121 Ca 0.00 0.46 0.12 0.00 -1.18 0.00 0.00 61.69 61.09 2jfu s THR 121 Cb 0.00 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 71.11 2jfu s THR 121 CO 0.00 -0.58 2.06 -0.29 -0.54 0.00 0.00 174.62 175.27 2jfu h ILE 122 N -1.06 1.08 -0.30 2.99 2.10 -1.92 -0.70 117.51 119.70 2jfu h ILE 122 Ca -0.44 -0.27 -0.02 0.00 1.08 0.00 0.00 64.86 65.21 2jfu h ILE 122 Cb 1.23 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 2jfu h ILE 122 CO 0.52 0.10 0.09 1.23 -1.08 0.00 0.00 178.15 179.00 2jfu h GLY 123 N 0.36 0.50 0.88 8.18 0.00 -1.99 0.59 103.07 111.59 2jfu h GLY 123 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2jfu h GLY 123 CO -0.00 0.28 0.03 -0.84 0.00 0.00 0.00 176.54 176.00 2jfu h THR 124 N 0.32 1.24 -0.22 4.70 2.02 -1.74 -2.13 112.91 117.11 2jfu h THR 124 Ca 0.09 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2jfu h THR 124 Cb 0.25 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2jfu h THR 124 CO -0.00 0.28 0.09 0.58 0.37 0.00 0.00 175.52 176.84 2jfu h VAL 125 N 0.30 1.15 0.00 3.16 2.07 -1.06 -2.84 116.25 119.03 2jfu h VAL 125 Ca 0.09 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2jfu h VAL 125 Cb 0.38 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2jfu h VAL 125 CO 0.01 0.15 -0.23 0.11 0.02 0.00 0.00 177.57 177.63 2jfu h LYS 126 N 0.21 0.00 0.00 1.57 1.79 -0.88 -1.96 116.57 117.29 2jfu h LYS 126 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jfu h LYS 126 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2jfu h LYS 126 CO -0.01 0.23 -0.05 0.66 -1.08 0.00 0.00 179.45 179.20 2jfu h SER 127 N 0.00 0.00 -0.39 0.86 4.64 -1.14 -3.46 113.55 114.06 2jfu h SER 127 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2jfu h SER 127 Cb 0.48 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 2jfu h SER 127 CO 0.03 0.05 -0.15 0.00 -0.87 0.00 0.00 176.83 175.89 2jfu n GLN 128 N -3.18 -1.34 -0.16 4.77 6.02 -0.74 -4.89 117.38 117.86 2jfu n GLN 128 Ca 0.00 0.73 -0.03 0.00 -0.01 0.00 0.00 57.00 57.69 2jfu n GLN 128 Cb 0.31 -4.90 0.05 0.00 1.02 0.00 0.00 30.24 26.72 2jfu n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jfu h ALA 129 N 0.00 0.40 -0.15 -1.58 0.00 -1.84 -0.17 119.26 115.92 2jfu h ALA 129 Ca -0.17 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2jfu h ALA 129 Cb 0.92 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jfu h ALA 129 CO 0.24 -0.42 -0.22 1.88 0.00 0.00 0.00 179.25 180.74 2jfu h TYR 130 N 0.06 0.50 -0.48 0.00 -1.99 -1.90 -2.03 116.97 111.13 2jfu h TYR 130 Ca 0.24 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.85 2jfu h TYR 130 Cb 0.37 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 38.96 2jfu h TYR 130 CO -0.36 0.84 0.21 1.49 -0.00 0.00 0.00 178.16 180.34 2jfu h GLU 131 N 0.02 0.41 -0.45 4.88 4.81 -1.88 0.64 114.58 123.02 2jfu h GLU 131 Ca 0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2jfu h GLU 131 Cb 0.79 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2jfu h GLU 131 CO 0.05 0.27 0.12 0.87 -0.73 0.00 0.00 179.01 179.59 2jfu h LYS 132 N 0.42 0.71 -0.74 1.92 1.57 -1.06 -1.32 116.57 118.07 2jfu h LYS 132 Ca 0.22 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2jfu h LYS 132 Cb 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2jfu h LYS 132 CO -0.18 0.71 0.32 0.00 -0.57 0.00 0.00 179.45 179.73 2jfu h ALA 133 N 0.97 0.96 -0.04 3.86 0.00 -0.92 -1.22 119.26 122.89 2jfu h ALA 133 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jfu h ALA 133 Cb 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jfu h ALA 133 CO 0.00 0.56 0.01 -0.07 0.00 0.00 0.00 179.25 179.75 2jfu h LEU 134 N 1.06 0.06 -1.37 0.00 3.38 -0.70 -3.09 115.31 114.65 2jfu h LEU 134 Ca 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2jfu h LEU 134 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jfu h LEU 134 CO -0.03 0.27 -0.19 0.11 0.09 0.00 0.00 178.44 178.70 2jfu h LYS 135 N -0.15 0.00 0.00 1.13 1.57 -1.14 -0.23 116.57 117.76 2jfu h LYS 135 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jfu h LYS 135 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jfu h LYS 135 CO 0.00 0.19 -0.11 0.93 -0.57 0.00 0.00 179.45 179.89 2jfu h GLU 136 N 0.00 0.00 0.03 3.15 5.08 -1.14 -2.58 114.58 119.12 2jfu h GLU 136 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2jfu h GLU 136 Cb 0.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2jfu h GLU 136 CO 0.02 0.11 -1.88 1.63 -1.00 0.00 0.00 179.01 177.90 2jfu n LYS 137 N -3.29 0.63 -3.53 2.33 5.02 -0.76 -4.83 118.16 113.72 2jfu n LYS 137 Ca -0.00 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 2jfu n LYS 137 Cb 0.34 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.57 2jfu n LYS 137 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jfu s VAL 138 N -2.46 0.22 0.57 -0.18 1.01 -0.17 -5.02 120.40 114.37 2jfu s VAL 138 Ca -0.30 -1.41 0.31 0.00 0.00 0.00 0.00 61.98 60.58 2jfu s VAL 138 Cb 0.09 -1.18 0.36 0.00 0.00 0.00 0.00 36.38 35.65 2jfu s VAL 138 CO 0.61 -0.87 2.24 1.55 0.00 0.00 0.00 175.10 178.64 2jfu h PRO 139 N 7.57 0.00 0.00 2.72 0.13 -1.70 -2.55 132.00 138.17 2jfu h PRO 139 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2jfu h PRO 139 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2jfu h PRO 139 CO 0.36 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.53 2jfu n GLU 140 N -3.71 0.07 -1.92 0.86 4.71 -1.26 -4.84 120.64 114.55 2jfu n GLU 140 Ca -0.03 0.11 -0.40 0.00 -0.01 0.00 0.00 57.16 56.83 2jfu n GLU 140 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 2jfu n GLU 140 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2jfu s LEU 141 N -2.91 4.24 -0.40 -4.62 1.43 -0.96 -4.97 118.68 110.49 2jfu s LEU 141 Ca 0.13 2.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.95 2jfu s LEU 141 Cb 0.15 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.58 2jfu s LEU 141 CO 0.39 -0.92 0.25 -0.89 0.23 0.00 0.00 176.35 175.41 2jfu s THR 142 N -1.19 4.76 -0.18 5.49 2.01 -0.52 -5.00 115.64 121.01 2jfu s THR 142 Ca 0.56 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 2jfu s THR 142 Cb -0.42 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2jfu s THR 142 CO 0.55 -0.31 0.03 -0.69 -0.69 0.00 0.00 174.62 173.51 2jfu s VAL 143 N 1.58 4.48 -0.21 3.82 1.01 -1.26 -1.67 120.40 128.15 2jfu s VAL 143 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2jfu s VAL 143 Cb -0.20 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2jfu s VAL 143 CO 0.07 0.46 -0.08 -0.89 0.00 0.00 0.00 175.10 174.66 2jfu s THR 144 N 0.48 2.97 -0.15 3.92 2.01 -0.47 -5.02 115.64 119.38 2jfu s THR 144 Ca 0.01 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2jfu s THR 144 Cb -0.13 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 2jfu s THR 144 CO 0.01 0.42 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.86 2jfu s SER 145 N 1.41 4.61 -0.08 3.53 0.01 -1.26 -1.40 113.70 120.52 2jfu s SER 145 Ca 0.05 -0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 2jfu s SER 145 Cb -0.14 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.37 2jfu s SER 145 CO -0.06 0.17 -0.05 -0.22 0.41 0.00 0.00 173.24 173.49 2jfu s LEU 146 N 0.35 1.05 0.29 2.44 2.96 -0.34 -4.98 118.68 120.45 2jfu s LEU 146 Ca -0.06 -0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 53.36 2jfu s LEU 146 Cb -0.15 -0.65 -0.09 0.00 0.50 0.00 0.00 46.19 45.80 2jfu s LEU 146 CO 0.04 -0.12 1.03 0.00 -1.32 0.00 0.00 176.35 175.97 2jfu s ALA 147 N 1.58 3.32 -0.56 5.97 0.00 -1.26 -2.71 121.76 128.10 2jfu s ALA 147 Ca 0.01 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.78 2jfu s ALA 147 Cb -0.13 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 19.98 2jfu s ALA 147 CO -0.05 -0.02 0.69 0.00 0.00 0.00 0.00 175.76 176.38 2jfu n PRO 149 N 0.95 -0.05 0.00 0.00 -0.02 -1.26 -1.97 135.00 132.65 2jfu n PRO 149 Ca 0.27 1.02 0.12 0.00 -2.02 0.00 0.00 63.50 62.90 2jfu n PRO 149 Cb 0.45 -1.69 0.12 0.00 -0.02 0.00 0.00 33.50 32.36 2jfu n PRO 149 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jfu n LYS 150 N -4.84 1.35 -0.15 -0.52 5.02 -1.26 -4.50 118.16 113.27 2jfu n LYS 150 Ca 0.19 -1.06 -0.04 0.00 -2.02 0.00 0.00 58.31 55.38 2jfu n LYS 150 Cb 0.64 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 34.22 2jfu n LYS 150 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2jfu h PHE 151 N 2.58 0.33 -0.31 2.13 0.05 -1.80 -2.51 116.94 117.41 2jfu h PHE 151 Ca 0.00 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.86 2jfu h PHE 151 Cb 0.73 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.56 2jfu h PHE 151 CO 0.00 0.14 0.06 0.28 -0.18 0.00 0.00 178.31 178.60 2jfu h VAL 152 N 0.37 0.84 -0.97 -0.55 2.07 -1.79 -1.74 116.25 114.49 2jfu h VAL 152 Ca 0.21 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2jfu h VAL 152 Cb 0.18 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2jfu h VAL 152 CO -0.19 0.03 0.61 0.77 0.02 0.00 0.00 177.57 178.80 2jfu h SER 153 N 0.17 1.14 -0.63 0.57 4.64 -1.79 0.12 113.55 117.75 2jfu h SER 153 Ca 0.15 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2jfu h SER 153 Cb 0.16 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2jfu h SER 153 CO -0.20 0.85 0.35 0.58 -0.87 0.00 0.00 176.83 177.54 2jfu h VAL 154 N 1.32 1.20 -0.06 0.95 2.07 -1.01 -1.54 116.25 119.19 2jfu h VAL 154 Ca 0.35 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2jfu h VAL 154 Cb -0.10 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2jfu h VAL 154 CO -0.07 0.22 -0.14 0.58 0.02 0.00 0.00 177.57 178.17 2jfu h VAL 155 N 0.86 1.43 0.00 2.57 2.07 -0.81 -1.19 116.25 121.18 2jfu h VAL 155 Ca 0.22 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2jfu h VAL 155 Cb 0.03 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2jfu h VAL 155 CO -0.04 0.42 -0.05 -0.33 0.02 0.00 0.00 177.57 177.59 2jfu h GLU 156 N -0.32 0.00 -0.25 1.57 5.08 -0.74 0.47 114.58 120.39 2jfu h GLU 156 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jfu h GLU 156 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2jfu h GLU 156 CO 0.03 0.05 0.00 0.43 -1.00 0.00 0.00 179.01 178.52 2jfu n SER 157 N -3.41 1.86 -3.79 1.42 7.64 -0.58 -4.93 113.62 111.83 2jfu n SER 157 Ca -0.02 -1.82 -0.24 0.00 1.01 0.00 0.00 58.87 57.81 2jfu n SER 157 Cb 0.17 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.24 2jfu n SER 157 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jfu n ASN 158 N 0.47 -1.83 -0.43 6.43 3.02 0.16 -4.89 115.26 118.18 2jfu n ASN 158 Ca 0.15 -0.84 0.07 0.00 -0.03 0.00 0.00 54.58 53.93 2jfu n ASN 158 Cb 0.34 -3.87 0.13 0.00 -0.61 0.00 0.00 39.78 35.77 2jfu n ASN 158 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jfu n GLU 159 N -4.38 1.06 0.00 3.52 -0.58 -0.45 -4.82 120.64 114.99 2jfu n GLU 159 Ca -0.23 -2.51 0.07 0.00 -0.42 0.00 0.00 57.16 54.08 2jfu n GLU 159 Cb 0.64 -1.24 0.42 0.00 -0.57 0.00 0.00 31.44 30.69 2jfu n GLU 159 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2jfu n TYR 160 N -0.94 0.00 -0.01 -0.32 0.18 -1.21 -2.30 117.16 112.55 2jfu n TYR 160 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 2jfu n TYR 160 Cb 0.71 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.67 2jfu n TYR 160 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 2jfu n HIS 161 N -0.88 0.00 -1.70 -3.48 8.25 -1.26 -4.76 115.22 111.39 2jfu n HIS 161 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 2jfu n HIS 161 Cb 0.05 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.32 2jfu n HIS 161 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfu s SER 162 N -0.29 3.17 0.27 0.41 1.04 -0.97 -4.93 113.70 112.40 2jfu s SER 162 Ca 0.00 0.60 0.10 0.00 0.48 0.00 0.00 55.95 57.13 2jfu s SER 162 Cb 0.00 -0.90 0.33 0.00 0.10 0.00 0.00 66.02 65.56 2jfu s SER 162 CO 0.00 -2.72 1.60 0.77 0.98 0.00 0.00 173.24 173.87 2jfu h SER 163 N -1.63 0.00 -0.56 7.02 4.64 -1.98 -2.54 113.55 118.51 2jfu h SER 163 Ca -0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2jfu h SER 163 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 2jfu h SER 163 CO 0.49 0.63 0.18 0.58 -0.87 0.00 0.00 176.83 177.85 2jfu h VAL 164 N 0.00 1.23 -0.23 0.95 2.07 -1.93 -1.62 116.25 116.72 2jfu h VAL 164 Ca -0.01 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2jfu h VAL 164 Cb 1.12 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2jfu h VAL 164 CO 0.08 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.85 2jfu h ALA 165 N 1.32 0.33 -0.65 1.67 0.00 -1.66 -1.86 119.26 118.41 2jfu h ALA 165 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jfu h ALA 165 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jfu h ALA 165 CO -0.01 0.20 0.37 0.87 0.00 0.00 0.00 179.25 180.68 2jfu h LYS 166 N 0.21 0.89 -0.08 0.00 1.57 -1.19 -0.93 116.57 117.05 2jfu h LYS 166 Ca 0.05 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2jfu h LYS 166 Cb 0.63 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jfu h LYS 166 CO 0.04 0.64 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.06 2jfu h LYS 167 N 0.90 0.32 -0.79 3.15 3.64 -1.24 -1.94 116.57 120.61 2jfu h LYS 167 Ca 0.23 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2jfu h LYS 167 Cb 0.00 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 2jfu h LYS 167 CO -0.04 0.88 0.41 0.82 -2.27 0.00 0.00 179.45 179.24 2jfu h ILE 168 N -0.17 1.24 -0.17 2.00 2.04 -1.14 -1.04 117.51 120.27 2jfu h ILE 168 Ca -0.01 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 2jfu h ILE 168 Cb 0.92 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2jfu h ILE 168 CO 0.06 0.28 -0.29 0.58 0.00 0.00 0.00 178.15 178.78 2jfu h VAL 169 N 1.10 1.35 -0.18 1.67 2.07 -1.24 -1.78 116.25 119.24 2jfu h VAL 169 Ca 0.27 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.28 2jfu h VAL 169 Cb 0.07 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2jfu h VAL 169 CO -0.04 0.46 0.11 0.00 0.02 0.00 0.00 177.57 178.12 2jfu h ALA 170 N 0.59 0.23 -0.32 1.67 0.00 -1.20 -1.42 119.26 118.80 2jfu h ALA 170 Ca 0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2jfu h ALA 170 Cb 0.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jfu h ALA 170 CO 0.07 -0.31 -0.39 0.93 0.00 0.00 0.00 179.25 179.55 2jfu h GLU 171 N 0.22 0.77 -0.36 0.00 5.08 -1.25 -2.59 114.58 116.46 2jfu h GLU 171 Ca 0.07 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2jfu h GLU 171 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jfu h GLU 171 CO -0.03 1.02 -0.22 1.15 -1.00 0.00 0.00 179.01 179.94 2jfu h THR 172 N 0.63 1.29 -0.00 1.13 2.02 -1.21 -3.24 112.91 113.53 2jfu h THR 172 Ca 0.05 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2jfu h THR 172 Cb 0.94 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2jfu h THR 172 CO 0.09 0.45 -0.16 0.18 0.37 0.00 0.00 175.52 176.45 2jfu n LEU 173 N -4.26 0.53 -0.28 2.58 4.77 -0.54 -4.49 117.00 115.31 2jfu n LEU 173 Ca -0.02 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2jfu n LEU 173 Cb 0.43 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 2jfu n LEU 173 CO 0.45 0.10 0.50 0.00 -1.33 0.00 0.00 177.39 177.11 2jfu h ALA 174 N 3.53 -0.58 0.00 -1.18 0.00 -1.48 0.11 119.26 119.65 2jfu h ALA 174 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jfu h ALA 174 Cb 0.40 1.21 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2jfu h ALA 174 CO 0.00 -0.97 0.00 -0.35 0.00 0.00 0.00 179.25 177.93 2jfu n PRO 175 N -5.33 0.15 0.04 0.00 -0.04 -1.26 -1.50 135.00 127.05 2jfu n PRO 175 Ca 0.00 0.63 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 2jfu n PRO 175 Cb 0.31 -1.97 0.36 0.00 -0.04 0.00 0.00 33.50 32.16 2jfu n PRO 175 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2jfu n LEU 176 N -2.28 0.48 -0.07 1.53 7.94 0.36 -3.76 117.00 121.20 2jfu n LEU 176 Ca -0.01 0.32 0.14 0.00 -1.11 0.00 0.00 56.01 55.34 2jfu n LEU 176 Cb 0.05 -0.31 0.57 0.00 0.53 0.00 0.00 43.42 44.26 2jfu n LEU 176 CO 0.11 -0.02 0.84 0.35 -1.11 0.00 0.00 177.39 177.56 2jfu n THR 177 N -1.82 0.00 -1.54 1.96 -2.24 -0.56 -3.87 114.28 106.21 2jfu n THR 177 Ca 0.05 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2jfu n THR 177 Cb 0.38 -0.16 0.17 0.00 -2.10 0.00 0.00 70.33 68.63 2jfu n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jfu n THR 178 N -1.17 2.58 0.12 4.28 -2.24 -1.25 -4.53 114.28 112.07 2jfu n THR 178 Ca 0.12 -3.00 0.02 0.00 -2.27 0.00 0.00 64.05 58.92 2jfu n THR 178 Cb 0.29 -0.45 0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2jfu n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jfu n LYS 179 N -1.07 0.61 -2.01 -0.78 4.76 -1.25 -4.98 118.16 113.43 2jfu n LYS 179 Ca 0.35 -1.06 -0.19 0.00 -2.87 0.00 0.00 58.31 54.54 2jfu n LYS 179 Cb 0.98 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 33.03 2jfu n LYS 179 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jfu n LYS 180 N 0.17 -1.41 -2.06 1.97 5.02 -1.26 -4.94 118.16 115.64 2jfu n LYS 180 Ca 0.03 1.01 -0.42 0.00 -2.02 0.00 0.00 58.31 56.92 2jfu n LYS 180 Cb 0.18 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 29.71 2jfu n LYS 180 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jfu s ILE 181 N -2.83 2.95 -0.98 -0.18 1.01 -1.26 -4.75 121.20 115.16 2jfu s ILE 181 Ca 0.00 0.71 0.10 0.00 0.00 0.00 0.00 60.65 61.45 2jfu s ILE 181 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.03 2jfu s ILE 181 CO 0.00 0.07 0.67 -0.90 0.00 0.00 0.00 174.94 174.77 2jfu n ASP 182 N 3.62 1.34 -3.69 3.58 3.85 -0.84 -4.74 116.55 119.67 2jfu n ASP 182 Ca 0.11 -1.17 -0.15 0.00 -0.71 0.00 0.00 54.79 52.88 2jfu n ASP 182 Cb 0.41 0.37 -0.15 0.00 -1.35 0.00 0.00 41.12 40.40 2jfu n ASP 182 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2jfu s THR 183 N -1.24 -0.21 -0.14 2.12 2.01 -1.23 -1.26 115.64 115.69 2jfu s THR 183 Ca 0.09 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2jfu s THR 183 Cb 0.08 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.29 2jfu s THR 183 CO 0.22 0.11 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.91 2jfu s LEU 184 N 1.90 1.64 -0.10 4.42 2.96 0.01 -0.47 118.68 129.04 2jfu s LEU 184 Ca -0.02 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.20 2jfu s LEU 184 Cb -0.12 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 2jfu s LEU 184 CO -0.07 -0.05 0.71 -0.63 -1.32 0.00 0.00 176.35 175.00 2jfu s ILE 185 N 1.42 5.01 -0.91 6.68 1.01 0.75 -0.61 121.20 134.56 2jfu s ILE 185 Ca 0.03 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 61.90 2jfu s ILE 185 Cb -0.13 -4.04 0.08 0.00 0.01 0.00 0.00 42.46 38.38 2jfu s ILE 185 CO -0.09 0.19 1.24 -0.76 0.00 0.00 0.00 174.94 175.52 2jfu s LEU 186 N 1.19 4.19 -0.05 2.97 1.43 0.25 -1.69 118.68 126.98 2jfu s LEU 186 Ca 0.36 -1.51 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2jfu s LEU 186 Cb -0.17 -2.48 0.16 0.00 0.03 0.00 0.00 46.19 43.72 2jfu s LEU 186 CO 0.16 -1.36 0.75 0.61 0.23 0.00 0.00 176.35 176.74 2jfu n GLY 187 N 5.98 1.81 2.79 -3.19 0.00 0.10 -3.83 105.19 108.86 2jfu n GLY 187 Ca 0.21 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2jfu n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfu n THR 189 N 4.41 1.12 0.13 0.00 -2.24 -1.26 -1.46 114.28 114.98 2jfu n THR 189 Ca -0.23 0.61 0.01 0.00 -2.27 0.00 0.00 64.05 62.17 2jfu n THR 189 Cb 0.50 -1.59 0.06 0.00 -2.10 0.00 0.00 70.33 67.20 2jfu n THR 189 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2jfu h HIS 190 N 0.00 0.00 0.00 4.78 3.86 -1.95 -3.37 115.15 118.46 2jfu h HIS 190 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2jfu h HIS 190 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2jfu h HIS 190 CO 0.00 0.61 -0.06 1.88 0.86 0.00 0.00 177.93 181.22 2jfu h TYR 191 N 0.00 0.00 -0.32 2.45 -1.99 -1.63 -2.99 116.97 112.49 2jfu h TYR 191 Ca -0.01 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.82 2jfu h TYR 191 Cb 1.36 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.08 2jfu h TYR 191 CO 0.00 0.06 0.30 -1.35 -0.00 0.00 0.00 178.16 177.17 2jfu h PRO 192 N 0.00 0.00 0.00 4.88 0.11 -1.77 0.22 132.00 135.44 2jfu h PRO 192 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2jfu h PRO 192 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 2jfu h PRO 192 CO 0.01 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.70 2jfu h LEU 193 N 0.00 0.00 -2.27 2.35 -0.00 -1.84 -2.35 115.31 111.20 2jfu h LEU 193 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2jfu h LEU 193 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2jfu h LEU 193 CO -0.00 0.03 0.00 0.18 -0.00 0.00 0.00 178.44 178.64 2jfu n LEU 194 N -3.15 3.13 -0.24 1.67 4.77 0.75 -4.72 117.00 119.22 2jfu n LEU 194 Ca -0.00 -1.49 0.02 0.00 -0.03 0.00 0.00 56.01 54.51 2jfu n LEU 194 Cb 0.27 -0.20 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 2jfu n LEU 194 CO 0.27 0.68 0.79 -0.09 -1.33 0.00 0.00 177.39 177.71 2jfu h ARG 195 N 3.71 0.07 -0.55 3.23 2.43 -1.10 -0.59 114.38 121.59 2jfu h ARG 195 Ca 0.00 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2jfu h ARG 195 Cb 0.86 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 2jfu h ARG 195 CO 0.00 0.04 0.28 -1.35 -1.51 0.00 0.00 179.97 177.43 2jfu h PRO 196 N 0.07 0.52 -0.40 0.20 0.11 -1.84 0.26 132.00 130.92 2jfu h PRO 196 Ca 0.36 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 2jfu h PRO 196 Cb 0.60 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 2jfu h PRO 196 CO -0.64 0.34 0.06 0.82 -0.21 0.00 0.00 178.00 178.37 2jfu h ILE 197 N 0.53 1.24 -0.76 4.15 2.04 -1.69 -1.47 117.51 121.56 2jfu h ILE 197 Ca 0.24 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2jfu h ILE 197 Cb 0.15 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2jfu h ILE 197 CO -0.17 0.30 0.38 0.40 0.00 0.00 0.00 178.15 179.06 2jfu h ILE 198 N 0.51 1.24 -0.43 -0.67 2.04 -0.72 -1.51 117.51 117.96 2jfu h ILE 198 Ca 0.12 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2jfu h ILE 198 Cb 0.38 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2jfu h ILE 198 CO 0.01 0.28 0.14 -0.61 0.00 0.00 0.00 178.15 177.97 2jfu h GLN 199 N 1.06 0.67 -0.51 2.37 5.75 -0.30 -0.92 115.11 123.23 2jfu h GLN 199 Ca 0.26 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2jfu h GLN 199 Cb 0.10 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2jfu h GLN 199 CO -0.04 0.65 0.31 -0.97 -2.65 0.00 0.00 178.83 176.14 2jfu h ASN 200 N 0.56 0.61 -0.32 -0.69 -1.24 -1.01 0.17 115.58 113.66 2jfu h ASN 200 Ca 0.14 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 2jfu h ASN 200 Cb 0.25 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 2jfu h ASN 200 CO -0.01 0.48 0.04 0.58 -1.29 0.00 0.00 177.43 177.23 2jfu h VAL 201 N 0.69 1.24 -0.04 2.57 2.07 -1.10 -3.19 116.25 118.50 2jfu h VAL 201 Ca 0.18 -0.86 -0.17 0.00 0.82 0.00 0.00 66.70 66.68 2jfu h VAL 201 Cb -0.02 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2jfu h VAL 201 CO -0.04 0.28 -0.72 0.24 0.02 0.00 0.00 177.57 177.36 2jfu h MET 202 N 0.37 0.22 0.00 1.57 2.86 -1.04 -3.49 114.93 115.42 2jfu h MET 202 Ca 0.10 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2jfu h MET 202 Cb 0.38 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2jfu h MET 202 CO 0.01 0.85 0.00 0.41 1.06 0.00 0.00 176.91 179.24 2jfu n GLY 203 N 0.53 2.53 0.31 8.32 0.00 0.58 -4.66 105.19 112.80 2jfu n GLY 203 Ca -0.03 -1.82 0.21 0.00 0.00 0.00 0.00 46.02 44.38 2jfu n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jfu h GLU 204 N 0.00 0.00 -0.03 1.61 4.39 -1.89 -2.14 114.58 116.53 2jfu h GLU 204 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jfu h GLU 204 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jfu h GLU 204 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 2jfu n ASN 205 N -2.96 0.70 -4.45 1.42 3.02 -1.26 -4.77 115.26 106.97 2jfu n ASN 205 Ca -0.02 -1.32 -0.36 0.00 -0.03 0.00 0.00 54.58 52.84 2jfu n ASN 205 Cb 0.09 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 2jfu n ASN 205 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jfu s VAL 206 N -1.97 4.20 -0.21 2.41 1.01 -0.81 -4.75 120.40 120.28 2jfu s VAL 206 Ca 0.39 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 2jfu s VAL 206 Cb 0.20 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2jfu s VAL 206 CO 0.32 0.37 0.71 -1.10 0.00 0.00 0.00 175.10 175.40 2jfu s GLN 207 N 1.42 4.21 0.01 2.72 -1.52 -0.39 -4.91 119.66 121.19 2jfu s GLN 207 Ca 0.05 0.75 -0.18 0.00 -1.95 0.00 0.00 55.36 54.04 2jfu s GLN 207 Cb -0.15 -3.60 -0.06 0.00 -0.22 0.00 0.00 33.01 28.98 2jfu s GLN 207 CO 0.03 -0.34 0.50 -0.51 -0.25 0.00 0.00 175.29 174.72 2jfu s LEU 208 N 2.22 4.46 -0.24 2.90 1.43 -1.26 -0.81 118.68 127.39 2jfu s LEU 208 Ca 0.32 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2jfu s LEU 208 Cb -0.16 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2jfu s LEU 208 CO 0.10 0.24 -0.02 -0.63 0.23 0.00 0.00 176.35 176.27 2jfu s ILE 209 N -0.77 3.39 -0.57 -0.59 -1.09 0.22 -4.93 121.20 116.87 2jfu s ILE 209 Ca 0.27 -0.63 -0.21 0.00 -2.23 0.00 0.00 60.65 57.85 2jfu s ILE 209 Cb -0.18 -2.62 0.07 0.00 -1.58 0.00 0.00 42.46 38.15 2jfu s ILE 209 CO 0.16 0.31 0.79 -0.62 -1.23 0.00 0.00 174.94 174.35 2jfu s ASP 210 N 1.45 6.23 0.23 3.58 -1.08 -1.26 -0.58 116.67 125.24 2jfu s ASP 210 Ca 0.04 -0.91 -0.06 0.00 -0.52 0.00 0.00 52.55 51.10 2jfu s ASP 210 Cb -0.15 -2.36 0.36 0.00 -1.46 0.00 0.00 42.92 39.31 2jfu s ASP 210 CO -0.02 -1.14 1.79 -1.28 0.52 0.00 0.00 175.17 175.03 2jfu h SER 211 N 9.24 0.51 -0.65 -0.34 0.87 -1.92 -1.64 113.55 119.63 2jfu h SER 211 Ca -0.28 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 2jfu h SER 211 Cb 1.08 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 2jfu h SER 211 CO 1.07 0.29 0.20 1.23 -0.53 0.00 0.00 176.83 179.10 2jfu h GLY 212 N 0.65 1.12 1.19 5.77 0.00 -1.87 -1.25 103.07 108.68 2jfu h GLY 212 Ca 0.36 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2jfu h GLY 212 CO -0.27 0.61 0.22 0.00 0.00 0.00 0.00 176.54 177.10 2jfu h ALA 213 N 1.21 1.12 -0.10 3.60 0.00 -1.67 -1.63 119.26 121.80 2jfu h ALA 213 Ca 0.22 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2jfu h ALA 213 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jfu h ALA 213 CO -0.01 0.61 -0.50 0.93 0.00 0.00 0.00 179.25 180.28 2jfu h GLU 214 N 0.98 0.26 -0.49 0.00 4.39 -0.91 -1.99 114.58 116.82 2jfu h GLU 214 Ca 0.22 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2jfu h GLU 214 Cb 0.26 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2jfu h GLU 214 CO -0.01 0.70 0.11 1.15 -1.16 0.00 0.00 179.01 179.80 2jfu h THR 215 N 0.21 1.24 -0.14 1.13 2.02 -0.67 -1.79 112.91 114.91 2jfu h THR 215 Ca 0.01 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2jfu h THR 215 Cb 0.95 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2jfu h THR 215 CO 0.08 0.31 -0.13 0.58 0.37 0.00 0.00 175.52 176.73 2jfu h VAL 216 N 0.68 1.17 -0.81 3.16 2.07 -1.12 -1.18 116.25 120.23 2jfu h VAL 216 Ca 0.15 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2jfu h VAL 216 Cb 0.35 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2jfu h VAL 216 CO 0.00 0.23 0.34 1.23 0.02 0.00 0.00 177.57 179.40 2jfu h GLY 217 N 0.72 1.28 1.07 2.17 0.00 -0.58 -1.53 103.07 106.19 2jfu h GLY 217 Ca 0.04 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 2jfu h GLY 217 CO 0.02 0.64 -0.20 -2.09 0.00 0.00 0.00 176.54 174.92 2jfu h GLU 218 N 1.17 0.92 -0.76 4.80 4.81 -0.54 -2.85 114.58 122.13 2jfu h GLU 218 Ca 0.27 -0.39 0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2jfu h GLU 218 Cb 0.19 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2jfu h GLU 218 CO -0.03 1.05 0.42 0.28 -0.73 0.00 0.00 179.01 180.00 2jfu h VAL 219 N 0.75 0.91 -0.65 0.32 2.07 -0.82 0.88 116.25 119.71 2jfu h VAL 219 Ca 0.10 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2jfu h VAL 219 Cb 0.77 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 2jfu h VAL 219 CO 0.06 0.13 0.33 -1.28 0.02 0.00 0.00 177.57 176.83 2jfu h SER 220 N 0.72 0.45 -0.37 0.57 0.87 -1.06 0.20 113.55 114.93 2jfu h SER 220 Ca 0.36 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.81 2jfu h SER 220 Cb 0.32 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2jfu h SER 220 CO -0.24 0.28 -0.39 -0.03 -0.53 0.00 0.00 176.83 175.93 2jfu h MET 221 N 0.59 0.92 -0.12 2.24 -1.53 -1.13 -3.12 114.93 112.78 2jfu h MET 221 Ca 0.30 -0.49 -0.05 0.00 -3.44 0.00 0.00 59.70 56.02 2jfu h MET 221 Cb 0.26 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 2jfu h MET 221 CO -0.22 1.14 -0.15 -0.07 0.14 0.00 0.00 176.91 177.76 2jfu h LEU 222 N 0.73 0.19 -0.95 3.39 3.38 -0.16 -0.18 115.31 121.71 2jfu h LEU 222 Ca 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jfu h LEU 222 Cb 0.99 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2jfu h LEU 222 CO 0.10 0.35 0.37 -0.07 0.09 0.00 0.00 178.44 179.27 2jfu h LEU 223 N 0.19 1.01 -0.06 1.67 3.38 -0.92 -0.29 115.31 120.28 2jfu h LEU 223 Ca 0.04 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2jfu h LEU 223 Cb 0.38 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jfu h LEU 223 CO 0.02 0.86 -0.16 0.44 0.09 0.00 0.00 178.44 179.69 2jfu h ASP 224 N 1.11 0.25 -0.51 -0.43 3.32 -1.31 0.68 116.42 119.52 2jfu h ASP 224 Ca 0.27 -0.59 0.05 0.00 0.02 0.00 0.00 57.03 56.77 2jfu h ASP 224 Cb 0.12 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2jfu h ASP 224 CO -0.03 0.80 0.25 0.22 -1.72 0.00 0.00 179.24 178.76 2jfu h TYR 225 N -0.28 0.46 -0.12 4.55 3.20 -0.83 -2.46 116.97 121.50 2jfu h TYR 225 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jfu h TYR 225 Cb 0.77 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2jfu h TYR 225 CO 0.12 0.22 0.00 1.19 -1.64 0.00 0.00 178.16 178.05 2jfu n PHE 226 N -4.89 0.14 -3.49 -3.82 3.01 -0.14 -4.95 117.46 103.31 2jfu n PHE 226 Ca 0.05 -0.07 -0.19 0.00 1.01 0.00 0.00 57.45 58.24 2jfu n PHE 226 Cb 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.68 2jfu n PHE 226 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2jfu n ASN 227 N 0.33 -3.08 -0.02 4.37 2.85 -0.78 -4.94 115.26 113.99 2jfu n ASN 227 Ca 0.17 -0.74 0.02 0.00 -0.11 0.00 0.00 54.58 53.93 2jfu n ASN 227 Cb 0.35 -4.67 0.03 0.00 1.24 0.00 0.00 39.78 36.73 2jfu n ASN 227 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jfu n LEU 228 N -3.97 2.06 -4.77 1.20 4.77 0.16 -4.57 117.00 111.87 2jfu n LEU 228 Ca -0.23 -2.23 -0.37 0.00 -0.03 0.00 0.00 56.01 53.15 2jfu n LEU 228 Cb 0.65 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2jfu n LEU 228 CO 0.63 0.54 0.82 -0.44 -1.33 0.00 0.00 177.39 177.62 2jfu s SER 229 N -1.44 6.07 0.63 -1.43 0.01 -1.23 -4.49 113.70 111.83 2jfu s SER 229 Ca 0.08 2.28 -0.05 0.00 1.31 0.00 0.00 55.95 59.56 2jfu s SER 229 Cb 0.07 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2jfu s SER 229 CO 0.01 -0.98 0.93 0.21 0.41 0.00 0.00 173.24 173.81 2jfu s ASN 230 N -1.45 5.23 0.10 2.44 3.04 -1.19 -1.12 114.94 121.98 2jfu s ASN 230 Ca 0.66 0.50 0.01 0.00 0.04 0.00 0.00 52.86 54.07 2jfu s ASN 230 Cb -0.28 -1.35 -0.04 0.00 -1.54 0.00 0.00 41.25 38.05 2jfu s ASN 230 CO 0.33 -1.29 0.24 -0.94 -3.04 0.00 0.00 177.10 172.40 2jfu s SER 231 N -4.41 6.34 0.57 -4.21 1.04 -1.26 -4.84 113.70 106.93 2jfu s SER 231 Ca 0.57 0.23 0.36 0.00 0.48 0.00 0.00 55.95 57.58 2jfu s SER 231 Cb -0.11 -1.93 1.62 0.00 0.10 0.00 0.00 66.02 65.70 2jfu s SER 231 CO 0.44 0.12 2.07 1.55 0.98 0.00 0.00 173.24 178.40 2jfu h PRO 232 N 2.71 0.00 0.00 4.02 0.13 -1.95 -0.67 132.00 136.24 2jfu h PRO 232 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2jfu h PRO 232 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jfu h PRO 232 CO 0.73 0.00 -0.32 1.96 -0.23 0.00 0.00 178.00 180.13 2jfu h GLN 233 N 0.00 0.00 0.00 0.86 4.20 -1.99 -3.16 115.11 115.02 2jfu h GLN 233 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 2jfu h GLN 233 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2jfu h GLN 233 CO 0.00 0.32 -0.95 -0.91 -0.67 0.00 0.00 178.83 176.62 2jfu h ASN 234 N 0.00 0.00 -3.68 1.46 2.35 -1.69 -3.51 115.58 110.52 2jfu h ASN 234 Ca -0.00 -0.63 0.16 0.00 -0.55 0.00 0.00 56.30 55.28 2jfu h ASN 234 Cb 0.88 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 2jfu h ASN 234 CO 0.04 1.37 -0.21 0.61 -1.65 0.00 0.00 177.43 177.59 2jfu n GLY 235 N 1.48 -2.11 3.68 2.83 0.00 -0.36 -4.67 105.19 106.05 2jfu n GLY 235 Ca -0.27 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 2jfu n GLY 235 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jfu s ARG 236 N -1.46 4.38 0.00 1.61 3.52 -1.22 -4.73 118.95 121.05 2jfu s ARG 236 Ca 0.00 1.40 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 2jfu s ARG 236 Cb 0.00 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 2jfu s ARG 236 CO 0.00 -0.40 0.03 0.25 -0.81 0.00 0.00 175.30 174.37 2jfu n THR 237 N 4.74 0.00 -3.85 4.11 -2.24 -1.26 -5.02 114.28 110.76 2jfu n THR 237 Ca 0.10 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.23 2jfu n THR 237 Cb 0.48 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 2jfu n THR 237 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jfu s LEU 238 N -1.81 1.05 -0.30 3.22 2.96 -1.26 -5.09 118.68 117.45 2jfu s LEU 238 Ca 0.00 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2jfu s LEU 238 Cb 0.00 -0.16 0.15 0.00 0.50 0.00 0.00 46.19 46.68 2jfu s LEU 238 CO 0.00 -0.12 0.34 0.00 -1.32 0.00 0.00 176.35 175.25 2jfu s GLN 240 N 2.27 2.07 0.02 0.00 2.00 -0.61 -4.44 119.66 120.96 2jfu s GLN 240 Ca 0.11 -0.73 0.04 0.00 -2.00 0.00 0.00 55.36 52.77 2jfu s GLN 240 Cb -0.14 -1.79 -0.03 0.00 0.80 0.00 0.00 33.01 31.85 2jfu s GLN 240 CO -0.28 0.31 -0.08 -0.06 -0.50 0.00 0.00 175.29 174.69 2jfu s PHE 241 N -0.08 2.84 0.01 1.67 0.40 -0.32 -1.75 117.98 120.75 2jfu s PHE 241 Ca -0.03 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2jfu s PHE 241 Cb -0.12 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 2jfu s PHE 241 CO 0.03 0.37 -0.15 0.71 0.70 0.00 0.00 175.22 176.88 2jfu s TYR 242 N -1.02 1.29 -0.01 0.36 1.51 0.12 -1.21 117.35 118.40 2jfu s TYR 242 Ca 0.17 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2jfu s TYR 242 Cb -0.11 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 2jfu s TYR 242 CO 0.08 0.00 0.06 -0.08 -1.11 0.00 0.00 175.55 174.50 2jfu s THR 243 N -0.53 0.04 -1.32 -0.71 -1.32 -0.43 -0.84 115.64 110.54 2jfu s THR 243 Ca 0.04 -0.33 0.26 0.00 -1.21 0.00 0.00 61.69 60.46 2jfu s THR 243 Cb -0.06 -0.20 0.18 0.00 -1.51 0.00 0.00 72.50 70.91 2jfu s THR 243 CO 0.00 -0.18 1.59 0.35 -2.21 0.00 0.00 174.62 174.17 2jfu n THR 244 N 2.44 0.00 -1.00 5.08 -2.24 -0.98 -0.53 114.28 117.06 2jfu n THR 244 Ca -0.17 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2jfu n THR 244 Cb 0.58 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2jfu n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jfu n GLY 245 N 1.42 3.01 3.64 3.38 0.00 -1.26 -4.35 105.19 111.03 2jfu n GLY 245 Ca 0.09 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2jfu n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jfu s SER 246 N -0.31 6.54 0.24 1.61 0.15 -1.26 -4.84 113.70 115.83 2jfu s SER 246 Ca 0.00 1.86 -0.01 0.00 0.70 0.00 0.00 55.95 58.50 2jfu s SER 246 Cb 0.00 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.04 2jfu s SER 246 CO 0.00 -1.08 1.64 0.00 1.20 0.00 0.00 173.24 175.00 2jfu h ALA 247 N 10.04 0.94 0.31 5.45 0.00 -1.93 -1.62 119.26 132.45 2jfu h ALA 247 Ca -0.35 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 2jfu h ALA 247 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jfu h ALA 247 CO 0.98 0.61 -0.18 -0.22 0.00 0.00 0.00 179.25 180.44 2jfu h LYS 248 N 0.52 -0.45 -0.42 0.00 1.63 -1.94 0.12 116.57 116.03 2jfu h LYS 248 Ca 0.06 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2jfu h LYS 248 Cb 0.78 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 2jfu h LYS 248 CO 0.06 -0.30 0.19 1.25 -3.45 0.00 0.00 179.45 177.20 2jfu h LEU 249 N -0.47 0.56 -0.52 5.20 5.85 -1.95 -1.61 115.31 122.38 2jfu h LEU 249 Ca -0.03 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2jfu h LEU 249 Cb 0.38 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2jfu h LEU 249 CO 0.04 0.54 0.29 0.15 -0.34 0.00 0.00 178.44 179.13 2jfu h PHE 250 N 0.54 0.54 -0.63 1.25 3.57 -1.13 -1.49 116.94 119.59 2jfu h PHE 250 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2jfu h PHE 250 Cb 0.14 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2jfu h PHE 250 CO -0.01 0.30 0.34 1.49 -2.23 0.00 0.00 178.31 178.20 2jfu h GLU 251 N 0.58 0.88 -0.47 1.11 4.81 -0.50 0.57 114.58 121.56 2jfu h GLU 251 Ca 0.21 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2jfu h GLU 251 Cb 0.06 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2jfu h GLU 251 CO -0.12 0.67 0.28 0.93 -0.73 0.00 0.00 179.01 180.05 2jfu h GLU 252 N 0.85 0.55 0.00 1.92 5.08 -0.79 -0.23 114.58 121.97 2jfu h GLU 252 Ca 0.22 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2jfu h GLU 252 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2jfu h GLU 252 CO -0.03 0.36 -0.00 0.82 -1.00 0.00 0.00 179.01 179.16 2jfu h ILE 253 N 0.57 1.31 -0.28 3.13 2.04 -1.01 -2.74 117.51 120.52 2jfu h ILE 253 Ca 0.18 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2jfu h ILE 253 Cb 0.00 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2jfu h ILE 253 CO -0.08 0.24 0.14 0.00 0.00 0.00 0.00 178.15 178.45 2jfu h ALA 254 N 0.60 0.34 -0.24 1.87 0.00 -0.77 -0.59 119.26 120.47 2jfu h ALA 254 Ca -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jfu h ALA 254 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jfu h ALA 254 CO 0.00 -0.25 -0.07 0.93 0.00 0.00 0.00 179.25 179.87 2jfu h GLU 255 N 0.30 0.38 0.02 0.00 5.08 -1.11 -0.93 114.58 118.32 2jfu h GLU 255 Ca 0.12 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jfu h GLU 255 Cb 0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jfu h GLU 255 CO -0.08 0.47 -0.01 0.22 -1.00 0.00 0.00 179.01 178.61 2jfu h ASP 256 N 0.36 -0.02 -0.60 1.42 1.82 -1.12 -1.69 116.42 116.59 2jfu h ASP 256 Ca 0.08 -0.49 -0.06 0.00 -0.39 0.00 0.00 57.03 56.17 2jfu h ASP 256 Cb 0.36 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 2jfu h ASP 256 CO 0.02 0.48 0.15 -0.50 -1.61 0.00 0.00 179.24 177.78 2jfu h TRP 257 N -0.54 1.01 0.00 0.28 4.06 -0.99 -3.17 115.95 116.59 2jfu h TRP 257 Ca -0.00 -0.12 -0.13 0.00 2.06 0.00 0.00 58.89 60.70 2jfu h TRP 257 Cb 0.51 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 2jfu h TRP 257 CO 0.10 0.85 -0.63 -0.07 -3.56 0.00 0.00 178.44 175.13 2jfu h LEU 258 N 0.87 0.00 -1.24 -4.49 4.07 -1.26 -3.48 115.31 109.78 2jfu h LEU 258 Ca 0.19 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.65 2jfu h LEU 258 Cb 0.35 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.01 2jfu h LEU 258 CO 0.00 0.63 -0.81 0.61 -1.08 0.00 0.00 178.44 177.79 2jfu n GLY 259 N 1.20 -0.42 0.60 0.83 0.00 -0.63 -4.88 105.19 101.89 2jfu n GLY 259 Ca 0.01 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.25 2jfu n GLY 259 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jfu n ILE 260 N -4.51 1.22 -2.58 -0.61 -5.35 -1.26 -5.11 119.36 101.16 2jfu n ILE 260 Ca -0.04 -1.84 0.00 0.00 -0.27 0.00 0.00 62.75 60.60 2jfu n ILE 260 Cb 0.55 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 2jfu n ILE 260 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jfu n GLY 261 N -0.67 -1.25 3.76 3.28 0.00 -1.26 -4.93 105.19 104.12 2jfu n GLY 261 Ca 0.12 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 2jfu n GLY 261 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jfu s HIS 262 N 0.00 2.78 0.12 1.61 5.65 -1.26 -4.75 115.29 119.43 2jfu s HIS 262 Ca 0.00 0.93 0.09 0.00 0.25 0.00 0.00 55.06 56.33 2jfu s HIS 262 Cb 0.00 -4.00 -0.04 0.00 -1.18 0.00 0.00 32.58 27.36 2jfu s HIS 262 CO 0.00 -3.23 -0.22 -0.51 -0.65 0.00 0.00 174.74 170.13 2jfu s LEU 263 N -0.87 2.33 -0.42 8.88 1.43 -1.26 -5.11 118.68 123.66 2jfu s LEU 263 Ca 0.60 -0.73 -0.22 0.00 -1.03 0.00 0.00 54.13 52.74 2jfu s LEU 263 Cb -0.46 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2jfu s LEU 263 CO 0.50 0.07 0.75 0.20 0.23 0.00 0.00 176.35 178.11 2jfu s ASN 264 N -2.08 6.43 -0.11 2.29 0.01 -1.26 -5.03 114.94 115.19 2jfu s ASN 264 Ca 0.10 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.26 2jfu s ASN 264 Cb -0.09 -2.37 0.01 0.00 0.41 0.00 0.00 41.25 39.21 2jfu s ASN 264 CO 0.05 -0.82 -0.16 -0.69 -1.51 0.00 0.00 177.10 173.97 2jfu s VAL 265 N 3.11 1.57 -0.05 1.60 1.01 -1.26 -1.18 120.40 125.21 2jfu s VAL 265 Ca 0.28 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2jfu s VAL 265 Cb -0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2jfu s VAL 265 CO 0.20 0.46 -0.23 -0.70 0.00 0.00 0.00 175.10 174.82 2jfu s GLU 266 N 0.95 2.37 0.04 2.72 2.12 -0.35 -5.00 118.70 121.55 2jfu s GLU 266 Ca -0.07 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 2jfu s GLU 266 Cb -0.15 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.18 2jfu s GLU 266 CO -0.01 0.35 1.00 -1.58 -0.54 0.00 0.00 175.26 174.48 2jfu s HIS 267 N -0.12 3.67 0.35 5.30 5.65 -1.26 -1.32 115.29 127.57 2jfu s HIS 267 Ca -0.04 1.68 0.03 0.00 0.25 0.00 0.00 55.06 56.99 2jfu s HIS 267 Cb -0.13 -3.14 -0.04 0.00 -1.18 0.00 0.00 32.58 28.09 2jfu s HIS 267 CO 0.03 -0.10 0.11 0.96 -0.65 0.00 0.00 174.74 175.10 2jfu s ILE 268 N 0.73 0.73 -0.04 0.89 -4.36 0.31 -4.89 121.20 114.58 2jfu s ILE 268 Ca 0.51 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.96 2jfu s ILE 268 Cb -0.23 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 2jfu s ILE 268 CO 0.29 0.00 -0.21 -1.61 0.24 0.00 0.00 174.94 173.64 2jfu s GLU 269 N -3.82 1.99 0.05 0.37 2.02 -1.26 -4.20 118.70 113.84 2jfu s GLU 269 Ca 0.31 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.60 2jfu s GLU 269 Cb 0.05 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 2jfu s GLU 269 CO 0.15 0.38 -0.18 -0.51 0.02 0.00 0.00 175.26 175.12 2jfu s LEU 270 N -0.26 2.18 0.00 1.80 1.43 -1.26 -4.99 118.68 117.58 2jfu s LEU 270 Ca 0.02 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2jfu s LEU 270 Cb -0.11 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.32 2jfu s LEU 270 CO 0.01 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2jfu n GLY 271 N 1.78 0.13 0.00 -3.19 0.00 -1.26 -5.15 105.19 97.50 2jfu n GLY 271 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jfu n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93