#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f98 s SER 2 N 0.00 5.46 0.32 6.15 0.15 -1.26 -4.97 113.70 119.55 2f98 s SER 2 Ca 0.00 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.61 2f98 s SER 2 Cb 0.00 -1.99 0.53 0.00 -1.71 0.00 0.00 66.02 62.85 2f98 s SER 2 CO 0.00 -0.03 1.74 -0.33 1.20 0.00 0.00 173.24 175.81 2f98 h GLU 3 N 8.24 0.16 -0.10 5.44 4.39 -2.02 -2.12 114.58 128.58 2f98 h GLU 3 Ca -0.37 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 2f98 h GLU 3 Cb 1.18 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2f98 h GLU 3 CO 0.57 0.54 0.03 1.96 -1.16 0.00 0.00 179.01 180.95 2f98 h GLN 4 N 0.14 0.16 -0.64 2.33 4.20 -1.95 0.31 115.11 119.66 2f98 h GLN 4 Ca 0.01 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 2f98 h GLN 4 Cb 0.77 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2f98 h GLN 4 CO 0.06 0.33 0.05 0.82 -0.67 0.00 0.00 178.83 179.41 2f98 h ILE 5 N -0.04 1.27 -0.62 2.54 2.04 -1.96 -0.91 117.51 119.82 2f98 h ILE 5 Ca 0.03 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.84 2f98 h ILE 5 Cb 0.24 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2f98 h ILE 5 CO -0.00 0.41 0.31 0.00 0.00 0.00 0.00 178.15 178.87 2f98 h ALA 6 N 1.02 0.82 -0.63 1.87 0.00 -1.26 0.44 119.26 121.51 2f98 h ALA 6 Ca 0.19 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2f98 h ALA 6 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2f98 h ALA 6 CO 0.02 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.48 2f98 h ALA 7 N 1.35 0.82 -0.45 0.00 0.00 -0.36 -1.48 119.26 119.14 2f98 h ALA 7 Ca 0.29 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2f98 h ALA 7 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2f98 h ALA 7 CO -0.21 0.44 -0.07 0.28 0.00 0.00 0.00 179.25 179.70 2f98 h VAL 8 N 0.89 1.25 -0.23 0.00 2.07 -0.69 -1.99 116.25 117.55 2f98 h VAL 8 Ca 0.21 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2f98 h VAL 8 Cb 0.21 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2f98 h VAL 8 CO -0.02 0.38 -0.14 0.03 0.02 0.00 0.00 177.57 177.85 2f98 h ARG 9 N 0.71 0.39 -0.44 1.57 3.08 -0.54 -0.57 114.38 118.58 2f98 h ARG 9 Ca 0.13 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2f98 h ARG 9 Cb 0.54 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2f98 h ARG 9 CO 0.03 0.53 0.20 0.00 -1.07 0.00 0.00 179.97 179.66 2f98 h ARG 10 N 0.36 0.64 -0.45 0.04 3.08 -0.79 -0.25 114.38 117.01 2f98 h ARG 10 Ca 0.07 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2f98 h ARG 10 Cb 0.46 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 2f98 h ARG 10 CO 0.03 0.57 0.16 1.98 -1.07 0.00 0.00 179.97 181.63 2f98 h MET 11 N 0.57 0.32 -0.53 0.04 4.05 -0.88 -1.27 114.93 117.23 2f98 h MET 11 Ca 0.15 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2f98 h MET 11 Cb 0.15 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2f98 h MET 11 CO -0.02 0.21 0.28 0.28 0.23 0.00 0.00 176.91 177.90 2f98 h VAL 12 N 0.33 1.18 -0.69 -5.77 2.07 -0.93 -2.81 116.25 109.63 2f98 h VAL 12 Ca 0.21 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2f98 h VAL 12 Cb 0.20 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2f98 h VAL 12 CO -0.21 0.20 0.46 -0.08 0.02 0.00 0.00 177.57 177.95 2f98 h GLU 13 N 0.70 0.89 -0.70 1.57 4.57 -0.71 -2.45 114.58 118.45 2f98 h GLU 13 Ca 0.18 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2f98 h GLU 13 Cb 0.06 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 2f98 h GLU 13 CO -0.03 0.59 0.43 0.00 -1.18 0.00 0.00 179.01 178.82 2f98 h ALA 14 N 1.57 0.93 -0.22 2.92 0.00 -0.97 0.77 119.26 124.27 2f98 h ALA 14 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2f98 h ALA 14 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2f98 h ALA 14 CO -0.06 0.17 0.01 1.88 0.00 0.00 0.00 179.25 181.25 2f98 h TYR 15 N 0.82 0.32 0.09 0.00 -1.99 -1.40 0.39 116.97 115.20 2f98 h TYR 15 Ca 0.29 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.00 2f98 h TYR 15 Cb 0.08 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2f98 h TYR 15 CO -0.05 0.32 -0.04 -0.91 -0.00 0.00 0.00 178.16 177.48 2f98 h ASN 16 N 0.31 -0.11 1.00 3.88 2.35 -1.07 -3.35 115.58 118.59 2f98 h ASN 16 Ca 0.07 -0.46 -0.16 0.00 -0.55 0.00 0.00 56.30 55.21 2f98 h ASN 16 Cb 0.20 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2f98 h ASN 16 CO 0.00 0.54 -0.76 0.71 -1.65 0.00 0.00 177.43 176.28 2f98 h THR 17 N -0.90 1.41 -0.01 2.81 1.35 -0.91 -3.47 112.91 113.18 2f98 h THR 17 Ca -0.01 -2.71 -0.00 0.00 -0.55 0.00 0.00 66.41 63.13 2f98 h THR 17 Cb 0.55 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 2f98 h THR 17 CO 0.02 0.74 -0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2f98 n GLY 18 N 0.97 0.41 3.57 5.82 0.00 0.14 -5.02 105.19 111.09 2f98 n GLY 18 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2f98 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f98 s LYS 19 N -0.49 3.78 -0.05 1.61 1.02 -1.22 -4.93 119.74 119.44 2f98 s LYS 19 Ca 0.00 -0.25 0.08 0.00 0.02 0.00 0.00 55.97 55.82 2f98 s LYS 19 Cb 0.00 -3.73 0.12 0.00 -0.52 0.00 0.00 37.83 33.70 2f98 s LYS 19 CO 0.00 -0.38 1.00 0.25 -0.92 0.00 0.00 175.35 175.30 2f98 n THR 20 N 5.17 1.06 -0.24 2.17 -2.24 -1.26 -4.58 114.28 114.35 2f98 n THR 20 Ca -0.10 -1.22 0.08 0.00 -2.27 0.00 0.00 64.05 60.55 2f98 n THR 20 Cb 0.50 0.25 0.35 0.00 -2.10 0.00 0.00 70.33 69.33 2f98 n THR 20 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2f98 h ASP 21 N 0.00 0.69 -0.60 3.42 3.45 -2.02 -2.65 116.42 118.72 2f98 h ASP 21 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2f98 h ASP 21 Cb 0.95 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 2f98 h ASP 21 CO 0.00 0.41 0.00 -0.90 -1.57 0.00 0.00 179.24 177.18 2f98 n ASP 22 N -4.51 4.46 0.12 6.45 5.75 -1.26 -4.67 116.55 122.88 2f98 n ASP 22 Ca 0.14 -2.42 0.14 0.00 -0.01 0.00 0.00 54.79 52.64 2f98 n ASP 22 Cb 0.33 -0.56 0.65 0.00 -1.03 0.00 0.00 41.12 40.50 2f98 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2f98 h VAL 23 N 3.81 0.88 -0.01 2.12 -1.51 -1.83 -0.27 116.25 119.43 2f98 h VAL 23 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2f98 h VAL 23 Cb 1.37 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2f98 h VAL 23 CO 0.22 0.01 0.02 0.00 -1.23 0.00 0.00 177.57 176.59 2f98 h ALA 24 N 1.86 1.25 -0.93 5.19 0.00 -1.83 0.53 119.26 125.33 2f98 h ALA 24 Ca 0.13 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2f98 h ALA 24 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2f98 h ALA 24 CO -0.01 -0.02 0.60 -0.44 0.00 0.00 0.00 179.25 179.38 2f98 h ASP 25 N 0.00 0.89 0.00 0.00 3.45 -1.42 -3.36 116.42 115.98 2f98 h ASP 25 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2f98 h ASP 25 Cb 0.04 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2f98 h ASP 25 CO -0.00 0.54 0.00 0.00 -1.57 0.00 0.00 179.24 178.21 2f98 n TYR 26 N -4.52 0.00 -3.74 4.55 0.18 -0.79 -4.95 117.16 107.89 2f98 n TYR 26 Ca 0.15 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.57 2f98 n TYR 26 Cb 0.26 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.10 2f98 n TYR 26 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2f98 s ILE 27 N -0.49 4.66 0.49 -3.48 -1.09 0.11 -0.84 121.20 120.55 2f98 s ILE 27 Ca 0.00 -0.06 -0.24 0.00 -2.23 0.00 0.00 60.65 58.12 2f98 s ILE 27 Cb 0.00 -3.18 -0.07 0.00 -1.58 0.00 0.00 42.46 37.63 2f98 s ILE 27 CO 0.00 0.33 1.39 -2.28 -1.23 0.00 0.00 174.94 173.15 2f98 s HIS 28 N 1.50 2.42 0.44 3.97 2.46 -0.39 -4.50 115.29 121.19 2f98 s HIS 28 Ca 0.06 1.32 0.22 0.00 0.47 0.00 0.00 55.06 57.13 2f98 s HIS 28 Cb -0.15 -3.85 1.19 0.00 -0.13 0.00 0.00 32.58 29.64 2f98 s HIS 28 CO 0.05 -2.85 1.82 -1.35 -2.47 0.00 0.00 174.74 169.95 2f98 h PRO 29 N 2.00 0.30 -0.65 2.88 0.11 -1.94 -1.60 132.00 133.10 2f98 h PRO 29 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2f98 h PRO 29 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2f98 h PRO 29 CO 0.60 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 2f98 n GLU 30 N -4.49 3.75 -1.66 1.05 1.02 -1.26 -3.35 120.64 115.70 2f98 n GLU 30 Ca 0.22 -2.44 -0.46 0.00 -0.02 0.00 0.00 57.16 54.47 2f98 n GLU 30 Cb 0.85 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2f98 n GLU 30 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2f98 n TYR 31 N 0.66 2.10 -4.18 -0.32 9.36 -0.60 -4.63 117.16 119.56 2f98 n TYR 31 Ca 0.22 0.42 -0.17 0.00 3.32 0.00 0.00 57.90 61.69 2f98 n TYR 31 Cb 0.90 -2.46 -0.15 0.00 -0.63 0.00 0.00 39.34 37.00 2f98 n TYR 31 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2f98 s MET 32 N -0.09 0.54 -0.27 2.98 -2.45 -0.99 -0.73 119.30 118.29 2f98 s MET 32 Ca 0.71 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.99 2f98 s MET 32 Cb -0.68 -0.54 0.07 0.00 1.25 0.00 0.00 34.83 34.93 2f98 s MET 32 CO 0.47 0.07 -0.01 1.21 1.05 0.00 0.00 175.02 177.82 2f98 s ASN 33 N 0.13 4.05 0.57 1.11 3.84 -1.26 -1.17 114.94 122.20 2f98 s ASN 33 Ca -0.01 -1.44 0.37 0.00 0.21 0.00 0.00 52.86 51.99 2f98 s ASN 33 Cb -0.05 -1.20 1.84 0.00 -0.55 0.00 0.00 41.25 41.29 2f98 s ASN 33 CO -0.00 -0.30 2.13 1.55 -2.79 0.00 0.00 177.10 177.69 2f98 h PRO 34 N 7.92 0.00 0.00 0.43 0.13 -2.00 -2.94 132.00 135.54 2f98 h PRO 34 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2f98 h PRO 34 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2f98 h PRO 34 CO 0.44 0.00 -0.00 0.78 -0.23 0.00 0.00 178.00 178.99 2f98 h GLY 35 N 0.90 0.00 -1.75 1.56 0.00 -1.93 -2.77 103.07 99.08 2f98 h GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2f98 h GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2f98 n THR 36 N -3.09 1.48 -0.01 4.70 -2.24 -1.11 -4.64 114.28 109.36 2f98 n THR 36 Ca -0.02 -1.26 0.16 0.00 -2.27 0.00 0.00 64.05 60.66 2f98 n THR 36 Cb 0.13 0.24 0.61 0.00 -2.10 0.00 0.00 70.33 69.21 2f98 n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2f98 h LEU 37 N 2.45 0.14 -1.81 3.22 3.38 -1.68 0.11 115.31 121.12 2f98 h LEU 37 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2f98 h LEU 37 Cb 1.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2f98 h LEU 37 CO 0.10 0.08 -0.00 -0.08 0.09 0.00 0.00 178.44 178.62 2f98 h GLU 38 N 0.15 0.11 0.00 1.13 4.81 -1.84 -3.31 114.58 115.63 2f98 h GLU 38 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2f98 h GLU 38 Cb 0.76 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2f98 h GLU 38 CO -0.03 0.12 -1.38 1.19 -0.73 0.00 0.00 179.01 178.18 2f98 n PHE 39 N -4.47 0.00 -3.50 0.92 3.01 0.32 -5.04 117.46 108.70 2f98 n PHE 39 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 2f98 n PHE 39 Cb 0.13 -0.24 -0.04 0.00 -0.01 0.00 0.00 39.48 39.32 2f98 n PHE 39 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2f98 s THR 40 N -2.78 0.00 -1.88 4.37 -1.32 -0.89 -5.03 115.64 108.11 2f98 s THR 40 Ca -0.03 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 2f98 s THR 40 Cb 0.09 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.42 2f98 s THR 40 CO 0.56 0.00 1.26 -1.54 -2.21 0.00 0.00 174.62 172.69 2f98 n SER 41 N 0.40 3.06 -4.73 8.08 3.41 -1.26 -4.41 113.62 118.17 2f98 n SER 41 Ca -0.16 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.21 2f98 n SER 41 Cb 0.60 -0.20 0.08 0.00 -0.26 0.00 0.00 64.21 64.42 2f98 n SER 41 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2f98 s LEU 42 N -1.25 3.39 0.40 1.04 1.43 -1.26 -5.07 118.68 117.36 2f98 s LEU 42 Ca 0.30 2.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.78 2f98 s LEU 42 Cb 0.18 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 2f98 s LEU 42 CO 0.25 -2.09 0.12 -0.13 0.23 0.00 0.00 176.35 174.73 2f98 s ARG 43 N -3.82 1.90 2.81 1.70 0.52 -1.26 -4.76 118.95 116.04 2f98 s ARG 43 Ca 0.74 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 2f98 s ARG 43 Cb -0.29 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.57 2f98 s ARG 43 CO 0.43 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.70 2f98 n GLY 44 N -0.89 0.35 0.39 -3.53 0.00 0.09 -2.63 105.19 98.97 2f98 n GLY 44 Ca -0.06 -0.94 0.18 0.00 0.00 0.00 0.00 46.02 45.21 2f98 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f98 h PRO 45 N 0.00 0.20 -0.49 1.61 0.11 -1.79 -1.34 132.00 130.30 2f98 h PRO 45 Ca 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 2f98 h PRO 45 Cb 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2f98 h PRO 45 CO 0.00 0.13 0.16 0.93 -0.21 0.00 0.00 178.00 179.01 2f98 h GLU 46 N 0.20 0.76 -0.11 1.05 3.07 -1.95 -1.35 114.58 116.25 2f98 h GLU 46 Ca 0.32 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2f98 h GLU 46 Cb 0.97 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2f98 h GLU 46 CO -0.06 0.71 0.05 1.25 -1.40 0.00 0.00 179.01 179.56 2f98 h LEU 47 N 0.66 0.14 -0.52 1.33 5.85 -1.01 -1.30 115.31 120.46 2f98 h LEU 47 Ca 0.16 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2f98 h LEU 47 Cb 0.27 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2f98 h LEU 47 CO -0.01 0.23 0.30 0.15 -0.34 0.00 0.00 178.44 178.78 2f98 h PHE 48 N 0.04 0.69 -0.85 1.25 3.57 -1.40 -2.19 116.94 118.06 2f98 h PHE 48 Ca 0.04 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2f98 h PHE 48 Cb 0.13 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2f98 h PHE 48 CO -0.03 0.48 0.44 0.00 -2.23 0.00 0.00 178.31 176.98 2f98 h ALA 49 N 1.14 1.18 -0.09 2.41 0.00 -1.13 -1.95 119.26 120.82 2f98 h ALA 49 Ca 0.18 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2f98 h ALA 49 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2f98 h ALA 49 CO -0.03 0.64 -0.57 0.97 0.00 0.00 0.00 179.25 180.26 2f98 h ILE 50 N 1.19 1.37 -0.34 0.00 2.10 -0.98 -1.91 117.51 118.94 2f98 h ILE 50 Ca 0.30 -1.90 -0.10 0.00 1.08 0.00 0.00 64.86 64.24 2f98 h ILE 50 Cb 0.06 1.94 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 2f98 h ILE 50 CO -0.04 0.57 -0.19 0.78 -1.08 0.00 0.00 178.15 178.18 2f98 h ASN 51 N 0.21 0.63 -0.44 2.19 -0.26 -1.10 0.09 115.58 116.91 2f98 h ASN 51 Ca -0.00 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.53 2f98 h ASN 51 Cb 1.07 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.14 2f98 h ASN 51 CO 0.09 0.83 0.25 0.58 -1.06 0.00 0.00 177.43 178.12 2f98 h VAL 52 N 0.57 1.15 -0.90 2.81 2.07 -1.13 -1.42 116.25 119.41 2f98 h VAL 52 Ca 0.09 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2f98 h VAL 52 Cb 0.64 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2f98 h VAL 52 CO 0.05 0.16 0.51 0.00 0.02 0.00 0.00 177.57 178.30 2f98 h ALA 53 N 1.10 1.15 -0.54 1.67 0.00 -0.98 -1.70 119.26 119.96 2f98 h ALA 53 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2f98 h ALA 53 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2f98 h ALA 53 CO -0.03 0.64 0.30 2.35 0.00 0.00 0.00 179.25 182.51 2f98 h TRP 54 N 1.25 0.74 -0.17 0.00 7.01 -0.68 -0.91 115.95 123.19 2f98 h TRP 54 Ca 0.32 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.30 2f98 h TRP 54 Cb 0.00 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2f98 h TRP 54 CO 0.01 0.54 0.11 0.28 -2.79 0.00 0.00 178.44 176.59 2f98 h VAL 55 N 0.72 1.05 -0.87 2.65 2.07 -0.83 0.78 116.25 121.83 2f98 h VAL 55 Ca 0.19 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2f98 h VAL 55 Cb 0.05 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2f98 h VAL 55 CO -0.03 0.04 0.53 0.11 0.02 0.00 0.00 177.57 178.24 2f98 h LYS 56 N 0.23 1.18 -0.07 1.57 6.56 -1.13 0.13 116.57 125.04 2f98 h LYS 56 Ca 0.06 -0.10 -0.21 0.00 -1.06 0.00 0.00 60.65 59.34 2f98 h LYS 56 Cb -0.02 -0.25 0.01 0.00 -0.57 0.00 0.00 32.23 31.40 2f98 h LYS 56 CO -0.01 0.82 -0.79 -0.22 -2.06 0.00 0.00 179.45 177.19 2f98 h LYS 57 N 1.20 0.66 0.08 3.15 3.64 -0.90 -2.07 116.57 122.33 2f98 h LYS 57 Ca 0.31 -0.62 -0.29 0.00 -1.27 0.00 0.00 60.65 58.79 2f98 h LYS 57 Cb -0.05 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2f98 h LYS 57 CO -0.06 1.22 -1.49 1.15 -2.27 0.00 0.00 179.45 178.00 2f98 h THR 58 N 0.33 1.18 -0.23 1.00 2.02 -0.73 -3.35 112.91 113.11 2f98 h THR 58 Ca -0.08 -2.86 0.00 0.00 0.77 0.00 0.00 66.41 64.24 2f98 h THR 58 Cb 1.44 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 2f98 h THR 58 CO 0.16 0.79 0.00 0.49 0.37 0.00 0.00 175.52 177.33 2f98 n PHE 59 N -3.38 0.37 0.00 3.16 3.72 0.46 -1.35 117.46 120.44 2f98 n PHE 59 Ca -0.14 -0.55 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 2f98 n PHE 59 Cb 1.03 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 2f98 n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2f98 n SER 60 N 0.08 0.00 0.27 4.37 3.41 -0.79 -1.73 113.62 119.23 2f98 n SER 60 Ca 0.10 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.86 2f98 n SER 60 Cb 0.43 0.02 0.74 0.00 -0.26 0.00 0.00 64.21 65.14 2f98 n SER 60 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f98 h GLU 61 N 0.00 0.00 -0.00 4.33 4.39 -1.87 -1.53 114.58 119.89 2f98 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f98 h GLU 61 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f98 h GLU 61 CO 0.00 0.07 -0.01 0.39 -1.16 0.00 0.00 179.01 178.30 2f98 n GLU 62 N -3.29 0.99 -1.70 2.33 4.71 -1.26 -4.89 120.64 117.53 2f98 n GLU 62 Ca -0.01 -0.16 -0.43 0.00 -0.01 0.00 0.00 57.16 56.55 2f98 n GLU 62 Cb 0.27 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.17 2f98 n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f98 n ALA 63 N -0.87 2.41 -2.61 0.62 0.00 -0.58 -4.86 120.51 114.63 2f98 n ALA 63 Ca 0.21 0.40 -0.22 0.00 0.00 0.00 0.00 53.44 53.84 2f98 n ALA 63 Cb 0.18 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.01 2f98 n ALA 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2f98 s ARG 64 N 1.31 1.01 -0.25 0.00 1.81 -0.20 -4.62 118.95 118.02 2f98 s ARG 64 Ca 0.77 -1.05 0.02 0.00 -1.72 0.00 0.00 55.73 53.75 2f98 s ARG 64 Cb -0.54 -1.16 0.06 0.00 -0.45 0.00 0.00 34.95 32.86 2f98 s ARG 64 CO 0.34 0.27 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.62 2f98 s LEU 65 N -1.76 3.12 -0.01 2.53 1.43 -1.26 -0.24 118.68 122.50 2f98 s LEU 65 Ca 0.03 -1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 51.73 2f98 s LEU 65 Cb -0.10 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2f98 s LEU 65 CO 0.03 -0.19 0.34 -1.61 0.23 0.00 0.00 176.35 175.15 2f98 s GLU 66 N 1.19 3.75 -0.16 1.70 0.41 0.35 -4.88 118.70 121.06 2f98 s GLU 66 Ca -0.07 0.20 -0.26 0.00 -0.41 0.00 0.00 54.97 54.43 2f98 s GLU 66 Cb -0.19 -3.15 -0.02 0.00 -1.78 0.00 0.00 34.13 28.99 2f98 s GLU 66 CO -0.06 0.68 0.84 -2.00 -0.49 0.00 0.00 175.26 174.24 2f98 s GLU 67 N -1.31 4.31 -0.21 1.61 2.12 -1.26 -0.59 118.70 123.37 2f98 s GLU 67 Ca 0.24 1.05 -0.19 0.00 0.36 0.00 0.00 54.97 56.43 2f98 s GLU 67 Cb -0.15 -3.57 -0.19 0.00 0.26 0.00 0.00 34.13 30.49 2f98 s GLU 67 CO 0.13 -0.31 0.17 0.28 -0.54 0.00 0.00 175.26 174.98 2f98 n VAL 68 N 4.68 1.56 -3.60 3.70 0.31 0.04 -4.96 118.33 120.06 2f98 n VAL 68 Ca 0.05 -0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 2f98 n VAL 68 Cb 0.49 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 2f98 n VAL 68 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2f98 s GLY 69 N -5.00 -0.15 -0.02 2.92 0.00 -0.96 -5.02 107.32 99.09 2f98 s GLY 69 Ca -0.29 2.36 0.01 0.00 0.00 0.00 0.00 44.72 46.79 2f98 s GLY 69 CO 0.60 1.24 -0.03 -0.42 0.00 0.00 0.00 173.10 174.49 2f98 s ILE 70 N -0.79 0.29 0.12 0.90 1.01 -1.26 -0.60 121.20 120.88 2f98 s ILE 70 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2f98 s ILE 70 Cb -0.02 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2f98 s ILE 70 CO -0.02 0.12 -0.00 -1.83 0.00 0.00 0.00 174.94 173.21 2f98 s GLU 71 N 0.41 0.91 0.07 2.79 1.03 -0.60 -5.01 118.70 118.31 2f98 s GLU 71 Ca -0.04 -1.41 0.02 0.00 0.03 0.00 0.00 54.97 53.56 2f98 s GLU 71 Cb -0.07 -0.02 -0.03 0.00 -0.80 0.00 0.00 34.13 33.20 2f98 s GLU 71 CO -0.01 -0.14 -0.07 -1.83 -1.33 0.00 0.00 175.26 171.89 2f98 s GLU 72 N -3.94 0.68 -0.21 -4.83 -1.05 -1.26 -0.60 118.70 107.50 2f98 s GLU 72 Ca 0.19 -1.08 -0.04 0.00 -0.15 0.00 0.00 54.97 53.89 2f98 s GLU 72 Cb 0.07 -0.20 0.11 0.00 -0.44 0.00 0.00 34.13 33.67 2f98 s GLU 72 CO -0.01 0.00 0.32 0.50 0.95 0.00 0.00 175.26 177.02 2f98 s ARG 73 N -2.89 0.27 5.20 -4.83 3.52 -0.17 -5.00 118.95 115.04 2f98 s ARG 73 Ca 0.02 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 2f98 s ARG 73 Cb -0.01 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 2f98 s ARG 73 CO -0.03 -0.55 0.00 0.00 -0.81 0.00 0.00 175.30 173.91 2f98 n ALA 74 N 5.35 0.00 0.23 6.12 0.00 -1.26 -1.53 120.51 129.43 2f98 n ALA 74 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 2f98 n ALA 74 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.17 2f98 n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2f98 n ASP 75 N 6.93 3.09 -4.48 0.00 5.75 -1.26 -4.91 116.55 121.67 2f98 n ASP 75 Ca 0.00 -2.23 -0.30 0.00 -0.01 0.00 0.00 54.79 52.25 2f98 n ASP 75 Cb 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 2f98 n ASP 75 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2f98 s TRP 76 N -1.66 2.55 -0.03 2.11 0.52 -0.58 -0.28 118.94 121.57 2f98 s TRP 76 Ca 0.33 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.22 2f98 s TRP 76 Cb 0.20 -1.39 -0.00 0.00 -1.15 0.00 0.00 33.47 31.13 2f98 s TRP 76 CO 0.17 0.34 -0.12 0.08 0.02 0.00 0.00 176.95 177.44 2f98 s VAL 77 N -1.07 1.01 -0.11 4.03 1.01 0.40 -1.00 120.40 124.67 2f98 s VAL 77 Ca 0.17 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2f98 s VAL 77 Cb -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2f98 s VAL 77 CO 0.09 0.30 -0.19 -0.60 0.00 0.00 0.00 175.10 174.69 2f98 s ARG 78 N 0.04 3.15 -0.09 2.72 3.52 0.23 -0.70 118.95 127.81 2f98 s ARG 78 Ca -0.01 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 2f98 s ARG 78 Cb -0.08 -2.43 -0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2f98 s ARG 78 CO 0.01 0.22 -0.23 0.00 -0.81 0.00 0.00 175.30 174.48 2f98 s ALA 79 N 0.29 2.11 -0.29 6.12 0.00 0.25 -1.55 121.76 128.70 2f98 s ALA 79 Ca -0.14 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 2f98 s ALA 79 Cb -0.17 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 2f98 s ALA 79 CO 0.07 0.29 0.09 1.03 0.00 0.00 0.00 175.76 177.24 2f98 s ARG 80 N 0.31 3.30 0.24 0.00 0.52 0.24 -0.93 118.95 122.63 2f98 s ARG 80 Ca -0.17 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.34 2f98 s ARG 80 Cb -0.17 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.85 2f98 s ARG 80 CO 0.08 -0.37 0.02 -0.51 0.02 0.00 0.00 175.30 174.55 2f98 s LEU 81 N 1.55 2.08 -0.10 2.53 1.43 -0.50 -0.78 118.68 124.90 2f98 s LEU 81 Ca 0.04 -1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 51.88 2f98 s LEU 81 Cb -0.17 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.87 2f98 s LEU 81 CO 0.03 -0.57 -0.08 -0.69 0.23 0.00 0.00 176.35 175.28 2f98 s VAL 82 N -3.49 0.99 -0.07 -1.59 1.01 0.24 -0.27 120.40 117.23 2f98 s VAL 82 Ca 0.31 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 2f98 s VAL 82 Cb 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2f98 s VAL 82 CO 0.10 0.36 0.82 -0.22 0.00 0.00 0.00 175.10 176.15 2f98 s LEU 83 N 1.59 4.30 -0.13 3.92 2.96 0.07 -0.50 118.68 130.90 2f98 s LEU 83 Ca 0.02 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 2f98 s LEU 83 Cb -0.13 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 2f98 s LEU 83 CO -0.07 -0.23 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.27 2f98 s TYR 84 N 1.21 2.75 0.29 5.38 2.02 0.67 -1.11 117.35 128.55 2f98 s TYR 84 Ca 0.42 -0.78 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2f98 s TYR 84 Cb -0.18 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2f98 s TYR 84 CO 0.20 -0.29 0.45 0.41 -1.57 0.00 0.00 175.55 174.74 2f98 n GLY 85 N 3.58 2.04 2.90 0.71 0.00 -0.63 -1.03 105.19 112.76 2f98 n GLY 85 Ca -0.18 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 2f98 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f98 s ARG 86 N -2.50 0.76 -1.00 1.61 3.52 -0.71 -1.76 118.95 118.87 2f98 s ARG 86 Ca 0.21 -0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 55.47 2f98 s ARG 86 Cb -0.02 -0.77 0.03 0.00 -1.56 0.00 0.00 34.95 32.63 2f98 s ARG 86 CO 0.15 -0.06 1.56 -1.58 -0.81 0.00 0.00 175.30 174.56 2f98 s HIS 87 N 0.80 2.38 -0.85 5.12 5.65 -0.29 -3.50 115.29 124.60 2f98 s HIS 87 Ca -0.11 -0.54 0.13 0.00 0.25 0.00 0.00 55.06 54.80 2f98 s HIS 87 Cb -0.13 -4.56 -0.09 0.00 -1.18 0.00 0.00 32.58 26.62 2f98 s HIS 87 CO 0.00 -1.90 0.63 1.33 -0.65 0.00 0.00 174.74 174.15 2f98 n VAL 88 N 7.10 0.00 -4.37 0.89 0.24 -0.46 -1.05 118.33 120.68 2f98 n VAL 88 Ca 0.35 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 2f98 n VAL 88 Cb 0.50 1.06 -0.11 0.00 -1.47 0.00 0.00 33.84 33.82 2f98 n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f98 s GLY 89 N -2.02 1.52 0.48 7.63 0.00 -0.88 -4.79 107.32 109.26 2f98 s GLY 89 Ca 0.07 -1.60 -0.24 0.00 0.00 0.00 0.00 44.72 42.95 2f98 s GLY 89 CO 0.46 -1.67 1.38 -2.21 0.00 0.00 0.00 173.10 171.06 2f98 n GLU 90 N 0.01 2.00 -3.68 2.90 4.07 -1.26 -4.30 120.64 120.38 2f98 n GLU 90 Ca -0.11 0.72 -0.11 0.00 -0.06 0.00 0.00 57.16 57.60 2f98 n GLU 90 Cb 0.58 -2.57 -0.11 0.00 -0.06 0.00 0.00 31.44 29.28 2f98 n GLU 90 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 2f98 s MET 91 N -2.56 0.29 -1.27 5.31 -2.45 -0.71 -4.92 119.30 112.99 2f98 s MET 91 Ca 0.65 0.81 -0.08 0.00 -1.25 0.00 0.00 55.69 55.81 2f98 s MET 91 Cb -0.45 0.06 0.08 0.00 1.25 0.00 0.00 34.83 35.77 2f98 s MET 91 CO 0.55 -0.21 0.20 1.33 1.05 0.00 0.00 175.02 177.94 2f98 n VAL 92 N 4.79 -0.41 -0.70 10.11 0.24 -1.26 0.15 118.33 131.25 2f98 n VAL 92 Ca -0.16 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2f98 n VAL 92 Cb 0.52 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2f98 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2f98 n GLY 93 N -1.62 0.68 3.46 7.63 0.00 -1.26 -4.91 105.19 109.17 2f98 n GLY 93 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2f98 n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f98 s MET 94 N -0.30 3.63 0.67 1.61 -1.94 0.12 0.06 119.30 123.15 2f98 s MET 94 Ca 0.00 -0.52 -0.17 0.00 -1.71 0.00 0.00 55.69 53.29 2f98 s MET 94 Cb 0.00 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.78 2f98 s MET 94 CO 0.00 0.05 1.26 0.00 -0.01 0.00 0.00 175.02 176.32 2f98 s ALA 95 N 0.90 2.31 0.25 3.03 0.00 -1.26 -1.73 121.76 125.26 2f98 s ALA 95 Ca 0.01 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 2f98 s ALA 95 Cb -0.14 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.32 2f98 s ALA 95 CO 0.02 -1.66 1.51 -2.30 0.00 0.00 0.00 175.76 173.33 2f98 n PRO 96 N -2.12 2.33 0.03 0.00 -0.02 -1.26 -4.86 135.00 129.09 2f98 n PRO 96 Ca 0.15 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.57 2f98 n PRO 96 Cb 0.49 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 2f98 n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2f98 n THR 97 N 2.22 0.18 -1.07 3.45 -2.24 -1.18 -4.97 114.28 110.67 2f98 n THR 97 Ca 0.11 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 2f98 n THR 97 Cb 0.33 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 2f98 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f98 n GLY 98 N 1.31 0.44 3.81 3.38 0.00 -0.21 -5.00 105.19 108.92 2f98 n GLY 98 Ca -0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2f98 n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f98 s ARG 99 N -1.47 4.20 0.54 1.61 0.52 -1.26 -4.69 118.95 118.40 2f98 s ARG 99 Ca 0.00 0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 55.73 2f98 s ARG 99 Cb 0.00 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 2f98 s ARG 99 CO 0.00 0.63 1.20 -0.51 0.02 0.00 0.00 175.30 176.64 2f98 s LEU 100 N -1.07 3.80 0.11 2.53 1.43 -1.26 -1.14 118.68 123.08 2f98 s LEU 100 Ca 0.29 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.58 2f98 s LEU 100 Cb -0.19 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.61 2f98 s LEU 100 CO 0.19 -1.33 0.44 0.72 0.23 0.00 0.00 176.35 176.60 2f98 s PHE 101 N -1.58 -0.28 -0.04 0.29 -0.12 -0.72 -4.72 117.98 110.79 2f98 s PHE 101 Ca 0.72 0.06 -0.06 0.00 -0.05 0.00 0.00 56.93 57.60 2f98 s PHE 101 Cb -0.30 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.41 2f98 s PHE 101 CO 0.34 -0.70 0.15 0.45 -0.05 0.00 0.00 175.22 175.41 2f98 s SER 102 N -2.60 -0.11 -0.24 1.98 0.15 -1.26 -1.60 113.70 110.01 2f98 s SER 102 Ca 0.01 0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.65 2f98 s SER 102 Cb 0.01 0.29 0.07 0.00 -1.71 0.00 0.00 66.02 64.68 2f98 s SER 102 CO -0.10 -0.13 0.62 -0.83 1.20 0.00 0.00 173.24 174.00 2f98 s GLY 103 N -0.28 -0.50 0.68 9.45 0.00 -0.27 -4.73 107.32 111.66 2f98 s GLY 103 Ca -0.04 1.92 -0.16 0.00 0.00 0.00 0.00 44.72 46.45 2f98 s GLY 103 CO 0.01 1.78 1.21 -0.54 0.00 0.00 0.00 173.10 175.55 2f98 s GLU 104 N 0.79 2.47 0.03 2.90 2.02 -1.26 -0.75 118.70 124.90 2f98 s GLU 104 Ca -0.04 1.77 0.01 0.00 0.02 0.00 0.00 54.97 56.74 2f98 s GLU 104 Cb -0.05 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 2f98 s GLU 104 CO -0.06 -1.59 -0.05 -0.65 0.02 0.00 0.00 175.26 172.93 2f98 s GLN 105 N -3.72 0.39 -0.11 1.61 -0.21 0.63 -2.25 119.66 116.01 2f98 s GLN 105 Ca 0.75 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.56 2f98 s GLN 105 Cb -0.29 -0.12 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 2f98 s GLN 105 CO 0.41 0.01 -0.17 0.42 -2.12 0.00 0.00 175.29 173.84 2f98 s ILE 106 N -1.19 2.73 -0.03 1.08 -1.09 -0.95 -1.41 121.20 120.33 2f98 s ILE 106 Ca -0.10 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 57.60 2f98 s ILE 106 Cb -0.09 -2.10 -0.02 0.00 -1.58 0.00 0.00 42.46 38.68 2f98 s ILE 106 CO -0.00 0.54 -0.25 -1.00 -1.23 0.00 0.00 174.94 173.00 2f98 s HIS 107 N 0.17 2.31 -0.14 3.97 3.76 -0.10 -0.29 115.29 124.96 2f98 s HIS 107 Ca -0.10 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 2f98 s HIS 107 Cb -0.16 -1.50 0.02 0.00 1.11 0.00 0.00 32.58 32.05 2f98 s HIS 107 CO 0.06 -0.11 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.15 2f98 s LEU 108 N -0.41 1.89 -0.11 0.89 1.02 0.25 -0.58 118.68 121.63 2f98 s LEU 108 Ca 0.04 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.67 2f98 s LEU 108 Cb -0.11 -1.29 0.02 0.00 0.02 0.00 0.00 46.19 44.83 2f98 s LEU 108 CO 0.01 0.00 -0.13 -0.76 0.02 0.00 0.00 176.35 175.49 2f98 s LEU 109 N 1.18 1.61 -0.22 1.79 2.01 0.12 -1.25 118.68 123.92 2f98 s LEU 109 Ca -0.00 -0.39 -0.08 0.00 0.01 0.00 0.00 54.13 53.66 2f98 s LEU 109 Cb -0.14 -1.02 -0.04 0.00 0.01 0.00 0.00 46.19 45.00 2f98 s LEU 109 CO -0.07 -0.01 0.10 -2.28 1.01 0.00 0.00 176.35 175.09 2f98 s HIS 110 N 1.13 3.21 0.01 0.29 5.65 -0.33 -0.45 115.29 124.79 2f98 s HIS 110 Ca -0.04 -0.02 -0.19 0.00 0.25 0.00 0.00 55.06 55.06 2f98 s HIS 110 Cb -0.14 -2.20 -0.06 0.00 -1.18 0.00 0.00 32.58 29.00 2f98 s HIS 110 CO -0.03 -0.04 0.54 -0.06 -0.65 0.00 0.00 174.74 174.50 2f98 s PHE 111 N 1.01 3.71 -0.01 3.88 0.40 0.62 -0.52 117.98 127.07 2f98 s PHE 111 Ca 0.05 1.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.54 2f98 s PHE 111 Cb -0.14 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 40.90 2f98 s PHE 111 CO 0.03 0.46 -0.03 0.08 0.70 0.00 0.00 175.22 176.47 2f98 s VAL 112 N -0.56 0.27 -1.42 -0.44 1.01 -0.10 -4.85 120.40 114.32 2f98 s VAL 112 Ca 0.28 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2f98 s VAL 112 Cb -0.18 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2f98 s VAL 112 CO 0.16 0.11 0.59 0.47 0.00 0.00 0.00 175.10 176.43 2f98 n ASP 113 N 3.40 -4.88 -0.06 3.32 10.43 -1.26 -1.49 116.55 126.01 2f98 n ASP 113 Ca -0.18 -0.37 -0.01 0.00 2.57 0.00 0.00 54.79 56.80 2f98 n ASP 113 Cb 0.56 -3.97 -0.00 0.00 1.84 0.00 0.00 41.12 39.54 2f98 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f98 n GLY 114 N -1.38 0.40 3.19 0.44 0.00 -1.26 -5.01 105.19 101.57 2f98 n GLY 114 Ca -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2f98 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f98 s LYS 115 N -0.90 0.89 -0.23 1.61 1.02 -0.56 -4.96 119.74 116.62 2f98 s LYS 115 Ca 0.00 -1.24 -0.29 0.00 0.02 0.00 0.00 55.97 54.46 2f98 s LYS 115 Cb 0.00 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.76 2f98 s LYS 115 CO 0.00 0.07 1.67 0.42 -0.92 0.00 0.00 175.35 176.59 2f98 s ILE 116 N -2.76 3.62 -0.17 2.17 1.01 -0.02 -0.92 121.20 124.13 2f98 s ILE 116 Ca 0.09 0.68 0.07 0.00 0.00 0.00 0.00 60.65 61.49 2f98 s ILE 116 Cb -0.01 -3.66 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 2f98 s ILE 116 CO -0.00 -0.30 -0.07 1.57 0.00 0.00 0.00 174.94 176.14 2f98 n HIS 117 N 8.81 0.00 -4.02 3.97 -0.00 0.32 -1.26 115.22 123.04 2f98 n HIS 117 Ca 0.20 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.24 2f98 n HIS 117 Cb 0.45 -0.74 -0.14 0.00 -0.12 0.00 0.00 29.99 29.44 2f98 n HIS 117 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2f98 s HIS 118 N -2.38 0.27 -0.07 1.57 5.65 -1.03 -2.35 115.29 116.95 2f98 s HIS 118 Ca -0.18 -0.11 -0.03 0.00 0.25 0.00 0.00 55.06 55.00 2f98 s HIS 118 Cb 0.06 -0.17 0.04 0.00 -1.18 0.00 0.00 32.58 31.32 2f98 s HIS 118 CO 0.52 -0.02 0.09 -1.58 -0.65 0.00 0.00 174.74 173.10 2f98 s HIS 119 N -0.25 0.02 -0.05 3.88 2.46 -0.32 -1.19 115.29 119.84 2f98 s HIS 119 Ca -0.01 0.26 0.06 0.00 0.47 0.00 0.00 55.06 55.84 2f98 s HIS 119 Cb -0.02 -0.46 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 2f98 s HIS 119 CO -0.00 -0.27 -0.22 0.50 -2.47 0.00 0.00 174.74 172.28 2f98 s ARG 120 N 2.20 2.42 -0.01 2.88 3.52 -0.38 -3.95 118.95 125.63 2f98 s ARG 120 Ca 0.04 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.79 2f98 s ARG 120 Cb -0.13 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2f98 s ARG 120 CO -0.05 0.49 -0.02 0.16 -0.81 0.00 0.00 175.30 175.08 2f98 s ASP 121 N -0.43 0.32 -0.41 -2.12 -4.77 -1.26 -0.58 116.67 107.42 2f98 s ASP 121 Ca 0.04 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.26 2f98 s ASP 121 Cb -0.12 -0.08 0.11 0.00 -1.09 0.00 0.00 42.92 41.74 2f98 s ASP 121 CO 0.01 -0.01 0.17 0.26 0.70 0.00 0.00 175.17 176.31 2f98 s TRP 122 N 0.25 3.61 0.84 2.11 0.51 0.60 -4.97 118.94 121.89 2f98 s TRP 122 Ca -0.02 -2.70 -0.10 0.00 -2.12 0.00 0.00 56.10 51.15 2f98 s TRP 122 Cb -0.05 -3.09 0.10 0.00 -0.81 0.00 0.00 33.47 29.62 2f98 s TRP 122 CO -0.01 -0.94 1.12 -2.14 -0.51 0.00 0.00 176.95 174.48 2f98 s PRO 123 N 0.85 1.63 -1.31 4.98 0.02 -1.26 -2.24 135.00 137.68 2f98 s PRO 123 Ca 0.11 1.38 -0.16 0.00 0.02 0.00 0.00 61.00 62.34 2f98 s PRO 123 Cb -0.21 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.58 2f98 s PRO 123 CO -0.05 -2.15 1.77 -3.47 -0.33 0.00 0.00 177.00 172.77 2f98 n ASP 124 N -3.85 4.83 -0.03 2.53 2.03 -0.96 -4.84 116.55 116.26 2f98 n ASP 124 Ca 0.11 -2.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 2f98 n ASP 124 Cb 0.52 -1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.21 2f98 n ASP 124 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2f98 h TYR 125 N 7.14 -0.05 -0.55 -0.67 -1.99 -1.92 -1.31 116.97 117.63 2f98 h TYR 125 Ca 0.44 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 61.12 2f98 h TYR 125 Cb 0.82 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 2f98 h TYR 125 CO 1.36 -0.05 0.09 1.96 -0.00 0.00 0.00 178.16 181.52 2f98 h GLN 126 N 0.03 0.91 -0.68 4.88 4.20 -1.99 0.12 115.11 122.58 2f98 h GLN 126 Ca 0.09 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 2f98 h GLN 126 Cb 0.12 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2f98 h GLN 126 CO -0.17 0.88 0.14 0.78 -0.67 0.00 0.00 178.83 179.79 2f98 h GLY 127 N 0.80 1.19 0.81 3.46 0.00 -1.94 -0.83 103.07 106.57 2f98 h GLY 127 Ca 0.17 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 2f98 h GLY 127 CO 0.01 0.72 -0.08 -0.84 0.00 0.00 0.00 176.54 176.35 2f98 h THR 128 N 1.03 1.30 -0.72 4.70 2.02 -1.03 -2.29 112.91 117.92 2f98 h THR 128 Ca 0.21 -1.11 0.11 0.00 0.77 0.00 0.00 66.41 66.40 2f98 h THR 128 Cb 0.41 1.58 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 2f98 h THR 128 CO 0.01 0.34 0.32 0.22 0.37 0.00 0.00 175.52 176.78 2f98 h TYR 129 N 0.14 0.57 0.07 3.16 3.20 -0.58 -0.60 116.97 122.92 2f98 h TYR 129 Ca 0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2f98 h TYR 129 Cb 0.55 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2f98 h TYR 129 CO 0.06 0.15 -0.08 0.00 -1.64 0.00 0.00 178.16 176.64 2f98 h ARG 130 N 0.52 -0.17 0.00 1.82 3.08 -1.03 0.26 114.38 118.86 2f98 h ARG 130 Ca 0.38 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 2f98 h ARG 130 Cb 0.49 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 2f98 h ARG 130 CO -0.33 -0.11 -0.03 1.96 -1.07 0.00 0.00 179.97 180.39 2f98 h GLN 131 N -0.17 0.00 -0.03 0.04 4.20 -0.75 -0.95 115.11 117.45 2f98 h GLN 131 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2f98 h GLN 131 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2f98 h GLN 131 CO -0.04 0.03 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2f98 n LEU 132 N -3.30 0.77 0.00 1.46 4.77 -0.31 -4.81 117.00 115.57 2f98 n LEU 132 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2f98 n LEU 132 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2f98 n LEU 132 CO 0.25 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2f98 n GLY 133 N 1.05 0.53 3.83 -0.72 0.00 -0.36 -4.25 105.19 105.27 2f98 n GLY 133 Ca 0.20 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 2f98 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f98 n GLU 134 N -2.83 -0.86 -1.96 1.61 1.02 0.05 -4.91 120.64 112.77 2f98 n GLU 134 Ca 0.00 0.36 -0.38 0.00 -0.02 0.00 0.00 57.16 57.12 2f98 n GLU 134 Cb 0.00 -3.38 0.02 0.00 -0.02 0.00 0.00 31.44 28.06 2f98 n GLU 134 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2f98 s PRO 135 N -6.37 3.44 0.17 3.49 0.04 -1.26 -5.01 135.00 129.50 2f98 s PRO 135 Ca 0.43 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.30 2f98 s PRO 135 Cb -0.19 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 2f98 s PRO 135 CO 0.91 -0.90 0.77 -1.58 0.04 0.00 0.00 177.00 176.24 2f98 s TRP 136 N -1.38 3.89 0.51 0.56 0.52 -1.26 -5.05 118.94 116.73 2f98 s TRP 136 Ca 0.67 1.62 -0.22 0.00 0.02 0.00 0.00 56.10 58.20 2f98 s TRP 136 Cb -0.36 -2.76 -0.06 0.00 -1.15 0.00 0.00 33.47 29.14 2f98 s TRP 136 CO 0.44 0.50 1.21 -1.25 0.02 0.00 0.00 176.95 177.87 2f98 s PRO 137 N -1.22 3.47 0.04 4.98 0.04 -1.26 -4.77 135.00 136.29 2f98 s PRO 137 Ca 0.36 1.86 0.22 0.00 0.04 0.00 0.00 61.00 63.49 2f98 s PRO 137 Cb -0.23 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 2f98 s PRO 137 CO 0.26 -0.81 0.91 -0.85 0.04 0.00 0.00 177.00 176.54 2f98 n GLU 138 N -0.84 0.36 -3.45 4.56 0.28 0.11 -4.97 120.64 116.68 2f98 n GLU 138 Ca 0.09 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 2f98 n GLU 138 Cb 0.48 -1.59 -0.02 0.00 1.43 0.00 0.00 31.44 31.74 2f98 n GLU 138 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2f98 s THR 139 N -3.26 0.00 -2.38 3.84 -1.32 -1.21 -5.00 115.64 106.31 2f98 s THR 139 Ca 0.01 -0.05 0.24 0.00 -1.21 0.00 0.00 61.69 60.68 2f98 s THR 139 Cb 0.14 -1.05 0.49 0.00 -1.51 0.00 0.00 72.50 70.56 2f98 s THR 139 CO 0.83 0.00 1.61 -1.84 -2.21 0.00 0.00 174.62 173.01 2f98 n GLU 140 N -0.38 1.75 -0.61 7.08 0.28 -1.26 -4.37 120.64 123.13 2f98 n GLU 140 Ca -0.16 -1.11 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 2f98 n GLU 140 Cb 0.65 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 32.08 2f98 n GLU 140 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69