#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 2.83 0.31 6.15 0.15 -1.26 -5.01 113.70 116.87 2f98 s SER 2 Ca 0.00 -0.53 0.08 0.00 0.70 0.00 0.00 55.95 56.20 2f98 s SER 2 Cb 0.00 -1.30 0.49 0.00 -1.71 0.00 0.00 66.02 63.51 2f98 s SER 2 CO 0.00 0.04 1.71 -0.33 1.20 0.00 0.00 173.24 175.86 2f98 h GLU 3 N 7.48 0.18 0.00 5.44 4.39 -2.03 -2.21 114.58 127.83 2f98 h GLU 3 Ca -0.34 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 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 0.54 0.57 -0.00 1.96 -1.16 0.00 0.00 179.01 180.92 2f98 h GLN 4 N 0.15 -0.00 -0.65 2.33 4.20 -1.96 0.72 115.11 119.90 2f98 h GLN 4 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2f98 h GLN 4 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2f98 h GLN 4 CO 0.06 0.28 0.36 0.82 -0.67 0.00 0.00 178.83 179.69 2f98 h ILE 5 N -0.28 1.20 -0.59 2.54 2.04 -1.97 -0.57 117.51 119.88 2f98 h ILE 5 Ca -0.00 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2f98 h ILE 5 Cb 0.28 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 2f98 h ILE 5 CO 0.00 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.61 2f98 h ALA 6 N 1.18 0.76 -0.73 1.87 0.00 -1.27 0.26 119.26 121.34 2f98 h ALA 6 Ca 0.23 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2f98 h ALA 6 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2f98 h ALA 6 CO -0.04 -0.15 0.22 0.00 0.00 0.00 0.00 179.25 179.28 2f98 h ALA 7 N 1.38 1.01 -0.35 0.00 0.00 -0.15 -1.78 119.26 119.38 2f98 h ALA 7 Ca 0.29 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2f98 h ALA 7 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2f98 h ALA 7 CO -0.27 0.66 -0.16 0.28 0.00 0.00 0.00 179.25 179.76 2f98 h VAL 8 N 1.09 1.25 -0.11 0.00 2.07 -0.58 -2.01 116.25 117.96 2f98 h VAL 8 Ca 0.24 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 2f98 h VAL 8 Cb 0.31 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2f98 h VAL 8 CO -0.01 0.39 -0.26 0.03 0.02 0.00 0.00 177.57 177.74 2f98 h ARG 9 N 0.57 0.20 -0.40 1.57 3.08 -0.58 -1.37 114.38 117.45 2f98 h ARG 9 Ca 0.09 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2f98 h ARG 9 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2f98 h ARG 9 CO 0.04 0.45 -0.28 0.00 -1.07 0.00 0.00 179.97 179.11 2f98 h ARG 10 N 0.18 0.86 -0.17 0.04 3.08 -0.91 -1.10 114.38 116.36 2f98 h ARG 10 Ca 0.03 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.71 2f98 h ARG 10 Cb 0.56 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2f98 h ARG 10 CO 0.04 1.03 0.03 1.98 -1.07 0.00 0.00 179.97 181.98 2f98 h MET 11 N 0.73 0.09 -0.54 0.04 4.05 -0.98 -1.43 114.93 116.89 2f98 h MET 11 Ca 0.09 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2f98 h MET 11 Cb 0.84 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.59 2f98 h MET 11 CO 0.07 0.06 0.35 0.28 0.23 0.00 0.00 176.91 177.90 2f98 h VAL 12 N 0.09 1.12 -0.34 -5.77 2.07 -1.12 -2.61 116.25 109.69 2f98 h VAL 12 Ca 0.08 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2f98 h VAL 12 Cb 0.08 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2f98 h VAL 12 CO -0.11 0.13 0.05 -0.08 0.02 0.00 0.00 177.57 177.58 2f98 h GLU 13 N 0.71 0.51 -0.69 1.57 4.81 -0.98 -2.31 114.58 118.20 2f98 h GLU 13 Ca 0.20 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2f98 h GLU 13 Cb -0.05 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2f98 h GLU 13 CO -0.06 0.50 0.44 0.00 -0.73 0.00 0.00 179.01 179.16 2f98 h ALA 14 N 1.57 0.89 -0.88 2.92 0.00 -0.88 0.16 119.26 123.04 2f98 h ALA 14 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2f98 h ALA 14 Cb 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2f98 h ALA 14 CO 0.00 0.23 0.57 1.88 0.00 0.00 0.00 179.25 181.93 2f98 h TYR 15 N 0.86 1.07 -0.13 0.00 -1.99 -1.30 0.24 116.97 115.73 2f98 h TYR 15 Ca 0.27 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.97 2f98 h TYR 15 Cb -0.01 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 38.36 2f98 h TYR 15 CO -0.04 0.63 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.69 2f98 h ASN 16 N 1.12 0.36 1.06 3.88 2.35 -0.90 -3.30 115.58 120.15 2f98 h ASN 16 Ca 0.34 -0.50 -0.11 0.00 -0.55 0.00 0.00 56.30 55.49 2f98 h ASN 16 Cb -0.03 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2f98 h ASN 16 CO -0.10 0.78 -0.99 0.71 -1.65 0.00 0.00 177.43 176.18 2f98 h THR 17 N -0.06 0.46 0.00 2.81 1.35 -0.75 -3.47 112.91 113.25 2f98 h THR 17 Ca 0.02 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 2f98 h THR 17 Cb 0.69 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2f98 h THR 17 CO 0.04 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2f98 n GLY 18 N 1.29 0.43 3.61 5.82 0.00 0.85 -5.01 105.19 112.18 2f98 n GLY 18 Ca -0.04 0.00 -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 -0.46 4.02 -0.02 1.61 1.02 -1.23 -4.93 119.74 119.76 2f98 s LYS 19 Ca 0.00 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.31 2f98 s LYS 19 Cb 0.00 -3.67 0.04 0.00 -0.52 0.00 0.00 37.83 33.67 2f98 s LYS 19 CO 0.00 -0.40 0.87 0.25 -0.92 0.00 0.00 175.35 175.15 2f98 n THR 20 N 5.21 0.73 -0.32 2.17 -2.24 -1.26 -4.59 114.28 113.98 2f98 n THR 20 Ca -0.04 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 61.06 2f98 n THR 20 Cb 0.50 0.56 0.31 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.80 -0.57 3.42 3.45 -2.02 -2.84 116.42 118.66 2f98 h ASP 21 Ca 0.00 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.51 2f98 h ASP 21 Cb 0.78 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 2f98 h ASP 21 CO 0.00 0.40 0.00 -0.90 -1.57 0.00 0.00 179.24 177.17 2f98 n ASP 22 N -4.61 4.88 0.09 6.45 5.75 -1.26 -4.69 116.55 123.15 2f98 n ASP 22 Ca 0.19 -2.64 0.02 0.00 -0.01 0.00 0.00 54.79 52.35 2f98 n ASP 22 Cb 0.43 -0.59 0.37 0.00 -1.03 0.00 0.00 41.12 40.30 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 3.70 1.18 0.00 2.12 -1.51 -1.86 -1.07 116.25 118.81 2f98 h VAL 23 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2f98 h VAL 23 Cb 1.58 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2f98 h VAL 23 CO 0.30 0.25 0.24 0.00 -1.23 0.00 0.00 177.57 177.13 2f98 h ALA 24 N 1.61 1.21 -0.19 5.19 0.00 -1.83 -0.37 119.26 124.88 2f98 h ALA 24 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2f98 h ALA 24 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2f98 h ALA 24 CO 0.02 -0.21 -0.18 -0.44 0.00 0.00 0.00 179.25 178.44 2f98 h ASP 25 N 0.00 0.32 0.00 0.00 3.45 -1.57 -3.37 116.42 115.24 2f98 h ASP 25 Ca 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2f98 h ASP 25 Cb 0.49 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 2f98 h ASP 25 CO 0.00 0.52 -0.01 0.00 -1.57 0.00 0.00 179.24 178.18 2f98 n TYR 26 N -4.20 0.00 -3.58 4.55 0.18 -0.69 -4.94 117.16 108.47 2f98 n TYR 26 Ca -0.00 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.40 2f98 n TYR 26 Cb 0.33 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.19 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 -0.35 5.31 0.47 -3.48 -1.09 -0.23 -0.43 121.20 121.40 2f98 s ILE 27 Ca 0.00 0.25 -0.24 0.00 -2.23 0.00 0.00 60.65 58.43 2f98 s ILE 27 Cb 0.00 -3.55 -0.07 0.00 -1.58 0.00 0.00 42.46 37.26 2f98 s ILE 27 CO 0.00 0.27 1.39 -2.28 -1.23 0.00 0.00 174.94 173.09 2f98 s HIS 28 N 1.51 2.45 0.51 3.97 2.46 -0.23 -4.41 115.29 121.55 2f98 s HIS 28 Ca 0.09 1.32 0.23 0.00 0.47 0.00 0.00 55.06 57.17 2f98 s HIS 28 Cb -0.15 -3.85 1.32 0.00 -0.13 0.00 0.00 32.58 29.78 2f98 s HIS 28 CO 0.08 -2.81 1.98 -1.00 -2.47 0.00 0.00 174.74 170.53 2f98 h PRO 29 N 2.10 0.09 -0.46 2.88 0.13 -1.93 -1.02 132.00 133.79 2f98 h PRO 29 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2f98 h PRO 29 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2f98 h PRO 29 CO 0.60 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 2f98 n GLU 30 N -4.40 2.13 -1.54 0.86 1.02 -1.26 -3.13 120.64 114.32 2f98 n GLU 30 Ca 0.11 -1.75 -0.55 0.00 -0.02 0.00 0.00 57.16 54.94 2f98 n GLU 30 Cb 0.59 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.93 1.06 -4.30 -0.32 9.36 -0.39 -4.61 117.16 118.90 2f98 n TYR 31 Ca 0.17 0.84 -0.18 0.00 3.32 0.00 0.00 57.90 62.05 2f98 n TYR 31 Cb 0.42 -2.21 -0.15 0.00 -0.63 0.00 0.00 39.34 36.77 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 0.21 0.71 -0.27 2.98 -2.45 -0.94 -1.16 119.30 118.39 2f98 s MET 32 Ca 0.87 -0.26 0.02 0.00 -1.25 0.00 0.00 55.69 55.07 2f98 s MET 32 Cb -1.10 -0.69 0.07 0.00 1.25 0.00 0.00 34.83 34.36 2f98 s MET 32 CO 0.52 0.12 -0.05 1.21 1.05 0.00 0.00 175.02 177.88 2f98 s ASN 33 N 0.03 4.22 0.60 1.11 3.84 -1.26 -1.22 114.94 122.27 2f98 s ASN 33 Ca -0.00 -1.44 0.38 0.00 0.21 0.00 0.00 52.86 52.00 2f98 s ASN 33 Cb -0.06 -1.37 1.85 0.00 -0.55 0.00 0.00 41.25 41.13 2f98 s ASN 33 CO -0.00 -0.25 2.17 1.55 -2.79 0.00 0.00 177.10 177.78 2f98 h PRO 34 N 7.84 0.00 0.00 0.43 0.13 -2.00 -2.78 132.00 135.62 2f98 h PRO 34 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.45 0.02 0.00 0.78 -0.23 0.00 0.00 178.00 179.02 2f98 h GLY 35 N 0.97 0.00 -1.52 1.56 0.00 -1.93 -2.77 103.07 99.39 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 -3.01 1.25 -0.11 4.70 -2.24 -1.05 -4.63 114.28 109.19 2f98 n THR 36 Ca -0.02 -1.15 0.18 0.00 -2.27 0.00 0.00 64.05 60.78 2f98 n THR 36 Cb 0.10 0.36 0.58 0.00 -2.10 0.00 0.00 70.33 69.27 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 2.25 0.24 -1.76 3.22 3.38 -1.65 0.62 115.31 121.60 2f98 h LEU 37 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2f98 h LEU 37 Cb 0.90 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2f98 h LEU 37 CO 0.05 0.12 0.03 -0.08 0.09 0.00 0.00 178.44 178.65 2f98 h GLU 38 N 0.25 0.18 0.00 1.13 4.81 -1.83 -3.29 114.58 115.84 2f98 h GLU 38 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2f98 h GLU 38 Cb 0.95 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2f98 h GLU 38 CO -0.07 0.17 -1.77 1.19 -0.73 0.00 0.00 179.01 177.80 2f98 n PHE 39 N -4.46 0.00 -3.50 0.92 3.01 0.17 -5.04 117.46 108.57 2f98 n PHE 39 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 2f98 n PHE 39 Cb 0.13 -0.39 -0.04 0.00 -0.01 0.00 0.00 39.48 39.17 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 -3.21 0.00 -1.67 4.37 -1.32 -0.97 -5.03 115.64 107.81 2f98 s THR 40 Ca -0.06 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.59 2f98 s THR 40 Cb 0.11 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.47 2f98 s THR 40 CO 0.74 0.00 1.28 -1.54 -2.21 0.00 0.00 174.62 172.88 2f98 n SER 41 N 0.26 3.10 -4.74 8.08 3.41 -1.26 -4.42 113.62 118.05 2f98 n SER 41 Ca -0.14 -1.91 -0.34 0.00 -0.26 0.00 0.00 58.87 56.22 2f98 n SER 41 Cb 0.60 -0.24 0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.14 3.35 0.35 1.04 1.43 -1.26 -5.07 118.68 117.37 2f98 s LEU 42 Ca 0.31 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.69 2f98 s LEU 42 Cb 0.17 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 2f98 s LEU 42 CO 0.23 -2.04 0.17 -0.13 0.23 0.00 0.00 176.35 174.81 2f98 s ARG 43 N -3.95 1.74 2.65 1.70 0.52 -1.26 -4.74 118.95 115.61 2f98 s ARG 43 Ca 0.72 -2.02 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 2f98 s ARG 43 Cb -0.26 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 34.98 2f98 s ARG 43 CO 0.44 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.68 2f98 n GLY 44 N -0.71 0.12 0.34 -3.53 0.00 -0.31 -2.04 105.19 99.07 2f98 n GLY 44 Ca -0.00 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.16 2f98 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f98 h PRO 45 N 0.00 0.19 -0.04 1.61 0.13 -1.77 -1.87 132.00 130.24 2f98 h PRO 45 Ca 0.00 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2f98 h PRO 45 Cb 0.00 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 2f98 h PRO 45 CO 0.00 0.12 -0.04 0.93 -0.23 0.00 0.00 178.00 178.79 2f98 h GLU 46 N 0.19 -0.04 -0.50 0.86 3.07 -1.94 -0.09 114.58 116.13 2f98 h GLU 46 Ca 0.20 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.12 2f98 h GLU 46 Cb 0.55 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 2f98 h GLU 46 CO -0.03 -0.03 0.22 1.25 -1.40 0.00 0.00 179.01 179.02 2f98 h LEU 47 N -0.05 0.28 -0.20 1.33 5.85 -0.75 -2.29 115.31 119.49 2f98 h LEU 47 Ca 0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2f98 h LEU 47 Cb 0.09 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2f98 h LEU 47 CO -0.07 0.20 0.05 0.15 -0.34 0.00 0.00 178.44 178.43 2f98 h PHE 48 N 0.43 0.33 -0.85 1.25 3.57 -1.03 -1.61 116.94 119.03 2f98 h PHE 48 Ca 0.23 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2f98 h PHE 48 Cb 0.19 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 2f98 h PHE 48 CO -0.13 0.43 0.56 0.00 -2.23 0.00 0.00 178.31 176.94 2f98 h ALA 49 N 0.87 1.46 -0.53 2.41 0.00 -0.97 -0.92 119.26 121.57 2f98 h ALA 49 Ca 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2f98 h ALA 49 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2f98 h ALA 49 CO -0.00 0.46 0.02 0.97 0.00 0.00 0.00 179.25 180.70 2f98 h ILE 50 N 1.07 1.26 -0.53 0.00 2.10 -1.14 -2.09 117.51 118.20 2f98 h ILE 50 Ca 0.34 -1.07 -0.07 0.00 1.08 0.00 0.00 64.86 65.14 2f98 h ILE 50 Cb 0.01 0.90 -0.02 0.00 -1.09 0.00 0.00 36.82 36.62 2f98 h ILE 50 CO -0.10 0.38 0.06 0.78 -1.08 0.00 0.00 178.15 178.19 2f98 h ASN 51 N 0.81 0.86 -0.25 2.19 -0.26 -0.76 0.75 115.58 118.91 2f98 h ASN 51 Ca 0.15 -0.28 0.04 0.00 -0.56 0.00 0.00 56.30 55.66 2f98 h ASN 51 Cb 0.50 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.49 2f98 h ASN 51 CO 0.02 0.92 0.01 0.58 -1.06 0.00 0.00 177.43 177.90 2f98 h VAL 52 N 0.77 0.83 -0.80 2.81 2.07 -1.17 -1.15 116.25 119.60 2f98 h VAL 52 Ca 0.16 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 2f98 h VAL 52 Cb 0.44 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2f98 h VAL 52 CO 0.02 0.02 0.36 0.00 0.02 0.00 0.00 177.57 177.98 2f98 h ALA 53 N 1.21 1.04 -0.33 1.67 0.00 -1.09 -1.97 119.26 119.79 2f98 h ALA 53 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2f98 h ALA 53 Cb 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2f98 h ALA 53 CO -0.19 0.63 0.09 2.35 0.00 0.00 0.00 179.25 182.13 2f98 h TRP 54 N 1.15 0.16 -0.20 0.00 7.01 -0.61 -1.28 115.95 122.19 2f98 h TRP 54 Ca 0.27 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.33 2f98 h TRP 54 Cb 0.16 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 2f98 h TRP 54 CO 0.02 0.06 -0.02 0.28 -2.79 0.00 0.00 178.44 175.98 2f98 h VAL 55 N 0.22 0.83 -0.90 2.65 2.07 -0.77 -0.22 116.25 120.13 2f98 h VAL 55 Ca 0.15 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2f98 h VAL 55 Cb 0.14 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2f98 h VAL 55 CO -0.18 0.01 0.52 0.11 0.02 0.00 0.00 177.57 178.05 2f98 h LYS 56 N 0.03 1.24 -0.16 1.57 1.79 -1.25 0.25 116.57 120.04 2f98 h LYS 56 Ca 0.09 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 2f98 h LYS 56 Cb 0.13 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2f98 h LYS 56 CO -0.18 0.89 -0.65 -0.22 -1.08 0.00 0.00 179.45 178.21 2f98 h LYS 57 N 1.25 0.60 0.09 3.15 3.64 -1.00 -2.61 116.57 121.68 2f98 h LYS 57 Ca 0.32 -0.43 -0.35 0.00 -1.27 0.00 0.00 60.65 58.92 2f98 h LYS 57 Cb -0.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2f98 h LYS 57 CO -0.06 1.05 -1.95 2.41 -2.27 0.00 0.00 179.45 178.63 2f98 n THR 58 N -3.92 1.72 -0.53 1.00 -1.04 -0.12 -4.20 114.28 107.19 2f98 n THR 58 Ca -0.05 -0.69 0.08 0.00 -2.04 0.00 0.00 64.05 61.35 2f98 n THR 58 Cb 0.67 -1.53 0.26 0.00 -1.82 0.00 0.00 70.33 67.91 2f98 n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2f98 n PHE 59 N -3.35 0.95 -0.04 -1.42 3.72 0.84 -1.06 117.46 117.10 2f98 n PHE 59 Ca -0.29 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.49 2f98 n PHE 59 Cb 1.05 -0.17 -0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 0.56 -0.23 0.30 4.37 3.41 -1.01 -2.00 113.62 119.01 2f98 n SER 60 Ca 0.20 0.05 0.16 0.00 -0.26 0.00 0.00 58.87 59.01 2f98 n SER 60 Cb 0.71 0.14 0.95 0.00 -0.26 0.00 0.00 64.21 65.75 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 -0.03 0.00 -0.00 4.33 4.39 -1.82 -1.18 114.58 120.26 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 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2f98 h GLU 61 CO 0.00 0.01 -0.00 0.39 -1.16 0.00 0.00 179.01 178.25 2f98 n GLU 62 N -3.69 0.99 -1.76 2.33 1.02 -1.26 -4.91 120.64 113.36 2f98 n GLU 62 Ca -0.03 -0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 2f98 n GLU 62 Cb 0.10 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 2f98 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f98 n ALA 63 N -0.93 2.24 -3.10 0.62 0.00 -0.45 -4.86 120.51 114.02 2f98 n ALA 63 Ca 0.22 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 2f98 n ALA 63 Cb 0.15 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.06 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 -1.69 0.15 -0.30 0.00 0.52 -0.15 -4.58 118.95 112.91 2f98 s ARG 64 Ca 0.56 0.21 -0.08 0.00 -0.52 0.00 0.00 55.73 55.90 2f98 s ARG 64 Cb -0.50 0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.02 2f98 s ARG 64 CO 0.60 -0.04 0.10 -0.51 0.02 0.00 0.00 175.30 175.48 2f98 s LEU 65 N 0.20 3.89 -0.07 2.53 1.43 -1.26 -0.22 118.68 125.18 2f98 s LEU 65 Ca -0.01 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 2f98 s LEU 65 Cb -0.02 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2f98 s LEU 65 CO -0.01 -0.17 0.25 -1.61 0.23 0.00 0.00 176.35 175.04 2f98 s GLU 66 N 1.55 3.66 -0.14 1.70 0.41 -0.11 -4.90 118.70 120.87 2f98 s GLU 66 Ca 0.04 0.10 -0.23 0.00 -0.41 0.00 0.00 54.97 54.47 2f98 s GLU 66 Cb -0.17 -3.21 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 2f98 s GLU 66 CO 0.04 0.73 0.69 -2.00 -0.49 0.00 0.00 175.26 174.23 2f98 s GLU 67 N -1.00 4.32 -0.23 1.61 2.12 -1.26 -0.83 118.70 123.42 2f98 s GLU 67 Ca 0.19 0.79 -0.19 0.00 0.36 0.00 0.00 54.97 56.12 2f98 s GLU 67 Cb -0.14 -3.52 -0.16 0.00 0.26 0.00 0.00 34.13 30.57 2f98 s GLU 67 CO 0.08 -0.14 -0.01 0.28 -0.54 0.00 0.00 175.26 174.94 2f98 n VAL 68 N 4.34 1.53 -3.55 3.70 0.31 -0.05 -4.97 118.33 119.63 2f98 n VAL 68 Ca -0.00 -0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 2f98 n VAL 68 Cb 0.50 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 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 -5.08 -0.35 -0.04 2.92 0.00 -1.00 -5.02 107.32 98.76 2f98 s GLY 69 Ca -0.32 1.63 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2f98 s GLY 69 CO 0.55 0.76 -0.01 -0.42 0.00 0.00 0.00 173.10 173.97 2f98 s ILE 70 N -1.89 0.29 0.25 0.90 1.01 -1.26 -0.01 121.20 120.48 2f98 s ILE 70 Ca 0.01 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.76 2f98 s ILE 70 Cb -0.01 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 2f98 s ILE 70 CO -0.02 0.17 -0.10 -1.83 0.00 0.00 0.00 174.94 173.16 2f98 s GLU 71 N 1.04 1.45 0.05 2.79 1.03 0.08 -5.00 118.70 120.14 2f98 s GLU 71 Ca -0.09 -1.70 0.01 0.00 0.03 0.00 0.00 54.97 53.22 2f98 s GLU 71 Cb -0.14 -1.15 -0.03 0.00 -0.80 0.00 0.00 34.13 32.01 2f98 s GLU 71 CO -0.01 0.11 -0.06 -1.83 -1.33 0.00 0.00 175.26 172.14 2f98 s GLU 72 N -3.68 0.53 -0.20 -4.83 -1.05 -1.26 -0.36 118.70 107.84 2f98 s GLU 72 Ca 0.26 -0.86 -0.04 0.00 -0.15 0.00 0.00 54.97 54.19 2f98 s GLU 72 Cb 0.01 -0.13 0.10 0.00 -0.44 0.00 0.00 34.13 33.67 2f98 s GLU 72 CO 0.10 -0.00 0.32 0.50 0.95 0.00 0.00 175.26 177.12 2f98 s ARG 73 N -2.12 0.26 4.31 -4.83 3.52 -0.18 -5.01 118.95 114.90 2f98 s ARG 73 Ca -0.06 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 2f98 s ARG 73 Cb -0.06 -0.44 0.00 0.00 -1.56 0.00 0.00 34.95 32.89 2f98 s ARG 73 CO -0.02 -0.51 0.00 0.00 -0.81 0.00 0.00 175.30 173.97 2f98 n ALA 74 N 5.35 0.00 1.40 6.12 0.00 -1.26 -1.45 120.51 130.68 2f98 n ALA 74 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.40 2f98 n ALA 74 Cb 0.50 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 4.23 0.90 -4.37 0.00 5.75 -1.26 -4.87 116.55 116.93 2f98 n ASP 75 Ca 0.00 -2.04 -0.31 0.00 -0.01 0.00 0.00 54.79 52.43 2f98 n ASP 75 Cb 0.00 -0.19 -0.15 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.71 2.43 -0.02 2.11 0.52 -0.53 -0.04 118.94 121.70 2f98 s TRP 76 Ca 0.08 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.90 2f98 s TRP 76 Cb 0.05 -1.49 -0.01 0.00 -1.15 0.00 0.00 33.47 30.86 2f98 s TRP 76 CO 0.05 0.08 -0.18 0.08 0.02 0.00 0.00 176.95 177.00 2f98 s VAL 77 N -0.73 1.44 -0.16 4.03 1.01 -0.01 -1.01 120.40 124.96 2f98 s VAL 77 Ca 0.11 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2f98 s VAL 77 Cb -0.10 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2f98 s VAL 77 CO 0.01 0.41 -0.19 -0.60 0.00 0.00 0.00 175.10 174.73 2f98 s ARG 78 N -0.39 2.79 -0.11 2.72 3.52 0.51 -0.84 118.95 127.15 2f98 s ARG 78 Ca 0.06 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 2f98 s ARG 78 Cb -0.07 -2.40 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 2f98 s ARG 78 CO -0.00 -0.18 -0.12 0.00 -0.81 0.00 0.00 175.30 174.18 2f98 s ALA 79 N 1.25 2.69 -0.31 6.12 0.00 -0.24 -0.74 121.76 130.52 2f98 s ALA 79 Ca 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2f98 s ALA 79 Cb -0.13 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.81 2f98 s ALA 79 CO -0.10 0.34 0.12 1.03 0.00 0.00 0.00 175.76 177.15 2f98 s ARG 80 N 0.01 3.10 0.27 0.00 0.52 0.98 -1.02 118.95 122.80 2f98 s ARG 80 Ca -0.04 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.34 2f98 s ARG 80 Cb -0.14 -3.49 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 2f98 s ARG 80 CO 0.04 -0.49 0.02 -0.51 0.02 0.00 0.00 175.30 174.38 2f98 s LEU 81 N 1.54 2.16 -0.08 2.53 1.43 -0.55 -0.87 118.68 124.84 2f98 s LEU 81 Ca 0.03 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 2f98 s LEU 81 Cb -0.18 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.76 2f98 s LEU 81 CO 0.04 -0.54 -0.06 -0.69 0.23 0.00 0.00 176.35 175.33 2f98 s VAL 82 N -3.38 0.76 -0.00 -1.59 1.01 -0.01 0.21 120.40 117.41 2f98 s VAL 82 Ca 0.32 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 2f98 s VAL 82 Cb 0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2f98 s VAL 82 CO 0.12 0.31 0.64 -0.22 0.00 0.00 0.00 175.10 175.94 2f98 s LEU 83 N 1.46 4.41 -0.05 3.92 2.96 0.02 -0.94 118.68 130.46 2f98 s LEU 83 Ca -0.01 1.22 0.06 0.00 -0.22 0.00 0.00 54.13 55.17 2f98 s LEU 83 Cb -0.13 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 2f98 s LEU 83 CO -0.04 0.06 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.51 2f98 s TYR 84 N -0.06 2.24 0.12 5.38 2.02 0.70 -1.31 117.35 126.44 2f98 s TYR 84 Ca 0.33 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 2f98 s TYR 84 Cb -0.19 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 39.93 2f98 s TYR 84 CO 0.18 -0.20 0.40 0.41 -1.57 0.00 0.00 175.55 174.77 2f98 n GLY 85 N 3.00 1.25 3.00 0.71 0.00 -0.65 -0.98 105.19 111.51 2f98 n GLY 85 Ca -0.18 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.03 1.36 -0.78 1.61 3.52 -0.85 -1.55 118.95 120.23 2f98 s ARG 86 Ca 0.08 -0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 55.09 2f98 s ARG 86 Cb -0.02 -1.19 0.01 0.00 -1.56 0.00 0.00 34.95 32.20 2f98 s ARG 86 CO 0.04 0.04 1.54 -1.58 -0.81 0.00 0.00 175.30 174.52 2f98 s HIS 87 N 0.58 2.12 -0.24 5.12 5.65 -0.15 -3.57 115.29 124.80 2f98 s HIS 87 Ca -0.11 0.09 0.02 0.00 0.25 0.00 0.00 55.06 55.31 2f98 s HIS 87 Cb -0.14 -4.44 0.00 0.00 -1.18 0.00 0.00 32.58 26.83 2f98 s HIS 87 CO 0.02 -2.07 0.41 1.33 -0.65 0.00 0.00 174.74 173.78 2f98 n VAL 88 N 6.87 0.00 -4.32 0.89 0.24 -0.22 -0.84 118.33 120.95 2f98 n VAL 88 Ca 0.18 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 2f98 n VAL 88 Cb 0.50 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.56 1.38 0.41 7.63 0.00 -1.04 -4.82 107.32 110.31 2f98 s GLY 89 Ca 0.02 -1.65 -0.26 0.00 0.00 0.00 0.00 44.72 42.83 2f98 s GLY 89 CO 0.05 -1.69 1.31 -2.21 0.00 0.00 0.00 173.10 170.56 2f98 n GLU 90 N -0.35 2.06 -3.69 2.90 4.07 -1.26 -4.26 120.64 120.11 2f98 n GLU 90 Ca -0.08 0.73 -0.10 0.00 -0.06 0.00 0.00 57.16 57.65 2f98 n GLU 90 Cb 0.62 -2.43 -0.11 0.00 -0.06 0.00 0.00 31.44 29.46 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 -2.18 0.40 -1.58 5.31 -2.45 -0.70 -4.92 119.30 113.18 2f98 s MET 91 Ca 0.60 0.81 -0.08 0.00 -1.25 0.00 0.00 55.69 55.77 2f98 s MET 91 Cb -0.51 -0.01 0.08 0.00 1.25 0.00 0.00 34.83 35.64 2f98 s MET 91 CO 0.59 -0.16 0.20 1.33 1.05 0.00 0.00 175.02 178.03 2f98 n VAL 92 N 4.28 -0.61 -1.05 10.11 0.24 -1.26 -0.26 118.33 129.78 2f98 n VAL 92 Ca -0.23 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 61.75 2f98 n VAL 92 Cb 0.55 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.99 0.49 3.66 7.63 0.00 -1.26 -4.91 105.19 108.82 2f98 n GLY 93 Ca -0.16 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.13 4.01 0.70 1.61 -1.94 0.64 -0.41 119.30 122.78 2f98 s MET 94 Ca 0.00 -0.31 -0.16 0.00 -1.71 0.00 0.00 55.69 53.51 2f98 s MET 94 Cb 0.00 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.61 2f98 s MET 94 CO 0.00 0.30 1.19 0.00 -0.01 0.00 0.00 175.02 176.50 2f98 s ALA 95 N 0.32 2.24 0.11 3.03 0.00 -1.26 -1.72 121.76 124.48 2f98 s ALA 95 Ca 0.05 0.86 -0.36 0.00 0.00 0.00 0.00 51.96 52.51 2f98 s ALA 95 Cb -0.12 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 2f98 s ALA 95 CO -0.00 -1.67 1.38 -2.30 0.00 0.00 0.00 175.76 173.17 2f98 n PRO 96 N -2.48 1.40 0.01 0.00 -0.02 -1.26 -4.85 135.00 127.80 2f98 n PRO 96 Ca 0.13 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 2f98 n PRO 96 Cb 0.50 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.63 0.04 -1.04 3.45 -2.24 -1.19 -4.97 114.28 110.96 2f98 n THR 97 Ca 0.18 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.84 2f98 n THR 97 Cb 0.22 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.45 0.32 3.71 3.38 0.00 -0.02 -4.97 105.19 109.06 2f98 n GLY 98 Ca 0.03 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.49 4.42 0.54 1.61 1.81 -1.25 -4.66 118.95 119.93 2f98 s ARG 99 Ca 0.00 0.86 -0.22 0.00 -1.72 0.00 0.00 55.73 54.66 2f98 s ARG 99 Cb 0.00 -3.45 -0.05 0.00 -0.45 0.00 0.00 34.95 31.00 2f98 s ARG 99 CO 0.00 0.05 1.36 -0.51 -0.68 0.00 0.00 175.30 175.51 2f98 s LEU 100 N 0.86 3.86 0.14 2.53 1.43 -1.26 -0.98 118.68 125.26 2f98 s LEU 100 Ca 0.37 2.76 -0.20 0.00 -1.03 0.00 0.00 54.13 56.03 2f98 s LEU 100 Cb -0.18 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 41.83 2f98 s LEU 100 CO 0.18 -1.55 0.51 0.72 0.23 0.00 0.00 176.35 176.44 2f98 s PHE 101 N -1.31 -0.39 -0.14 0.29 -0.12 -0.60 -4.66 117.98 111.06 2f98 s PHE 101 Ca 0.71 0.17 -0.11 0.00 -0.05 0.00 0.00 56.93 57.64 2f98 s PHE 101 Cb -0.40 0.42 0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2f98 s PHE 101 CO 0.48 -0.77 0.35 0.45 -0.05 0.00 0.00 175.22 175.68 2f98 s SER 102 N -2.70 -0.38 -0.19 1.98 0.15 -1.26 -1.64 113.70 109.66 2f98 s SER 102 Ca 0.01 0.72 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 2f98 s SER 102 Cb 0.00 0.71 0.05 0.00 -1.71 0.00 0.00 66.02 65.07 2f98 s SER 102 CO -0.12 -0.13 0.51 -0.83 1.20 0.00 0.00 173.24 173.87 2f98 s GLY 103 N 0.40 -0.38 0.64 9.45 0.00 -0.43 -4.76 107.32 112.23 2f98 s GLY 103 Ca -0.02 1.47 -0.18 0.00 0.00 0.00 0.00 44.72 45.99 2f98 s GLY 103 CO -0.02 1.30 1.23 -0.54 0.00 0.00 0.00 173.10 175.07 2f98 s GLU 104 N 0.38 2.69 0.02 2.90 2.02 -1.26 -0.80 118.70 124.65 2f98 s GLU 104 Ca -0.01 1.87 0.01 0.00 0.02 0.00 0.00 54.97 56.86 2f98 s GLU 104 Cb -0.04 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.29 2f98 s GLU 104 CO -0.01 -1.44 -0.05 -0.65 0.02 0.00 0.00 175.26 173.14 2f98 s GLN 105 N -3.47 0.35 -0.15 1.61 -0.21 0.13 -2.14 119.66 115.78 2f98 s GLN 105 Ca 0.78 -0.42 -0.01 0.00 0.02 0.00 0.00 55.36 55.73 2f98 s GLN 105 Cb -0.32 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 2f98 s GLN 105 CO 0.37 0.04 -0.10 0.42 -2.12 0.00 0.00 175.29 173.90 2f98 s ILE 106 N -0.78 3.24 -0.06 1.08 -1.09 -0.91 -1.48 121.20 121.20 2f98 s ILE 106 Ca -0.06 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 2f98 s ILE 106 Cb -0.06 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.41 2f98 s ILE 106 CO -0.00 0.50 -0.20 -1.00 -1.23 0.00 0.00 174.94 173.01 2f98 s HIS 107 N 0.53 2.57 -0.17 3.97 3.76 -0.19 -0.42 115.29 125.34 2f98 s HIS 107 Ca -0.07 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 2f98 s HIS 107 Cb -0.15 -1.64 0.01 0.00 1.11 0.00 0.00 32.58 31.91 2f98 s HIS 107 CO 0.04 -0.08 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.15 2f98 s LEU 108 N -0.28 2.26 -0.10 0.89 1.02 0.34 -1.08 118.68 121.74 2f98 s LEU 108 Ca 0.01 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.61 2f98 s LEU 108 Cb -0.13 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.57 2f98 s LEU 108 CO 0.03 0.03 -0.21 -0.76 0.02 0.00 0.00 176.35 175.46 2f98 s LEU 109 N 1.12 1.97 -0.24 1.79 2.01 -0.02 -0.68 118.68 124.61 2f98 s LEU 109 Ca 0.00 -0.50 -0.08 0.00 0.01 0.00 0.00 54.13 53.56 2f98 s LEU 109 Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 46.19 44.76 2f98 s LEU 109 CO -0.07 0.11 0.10 -2.28 1.01 0.00 0.00 176.35 175.22 2f98 s HIS 110 N 0.52 3.16 0.05 0.29 5.65 0.13 -0.83 115.29 124.25 2f98 s HIS 110 Ca -0.16 -0.17 -0.23 0.00 0.25 0.00 0.00 55.06 54.75 2f98 s HIS 110 Cb -0.17 -2.24 -0.06 0.00 -1.18 0.00 0.00 32.58 28.93 2f98 s HIS 110 CO 0.06 -0.19 0.71 -0.06 -0.65 0.00 0.00 174.74 174.60 2f98 s PHE 111 N 1.38 3.76 -0.02 3.88 0.40 0.94 -0.47 117.98 127.84 2f98 s PHE 111 Ca 0.06 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 2f98 s PHE 111 Cb -0.15 -2.73 0.02 0.00 0.51 0.00 0.00 43.02 40.67 2f98 s PHE 111 CO 0.05 0.36 0.01 0.08 0.70 0.00 0.00 175.22 176.42 2f98 s VAL 112 N -0.35 0.01 -1.60 -0.44 1.01 -0.45 -4.86 120.40 113.72 2f98 s VAL 112 Ca 0.35 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2f98 s VAL 112 Cb -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2f98 s VAL 112 CO 0.22 0.08 0.07 0.47 0.00 0.00 0.00 175.10 175.93 2f98 n ASP 113 N 3.85 -5.46 0.00 3.32 10.43 -1.26 -1.47 116.55 125.95 2f98 n ASP 113 Ca -0.23 -0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.13 2f98 n ASP 113 Cb 0.53 -4.55 0.00 0.00 1.84 0.00 0.00 41.12 38.94 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 -1.02 0.66 3.24 0.44 0.00 -1.26 -5.02 105.19 102.22 2f98 n GLY 114 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.03 1.01 -0.12 1.61 1.02 -0.54 -4.95 119.74 117.74 2f98 s LYS 115 Ca 0.00 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 54.42 2f98 s LYS 115 Cb 0.00 -0.80 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 2f98 s LYS 115 CO 0.00 0.14 1.69 0.42 -0.92 0.00 0.00 175.35 176.68 2f98 s ILE 116 N -2.45 3.56 -0.13 2.17 1.01 0.43 -1.34 121.20 124.46 2f98 s ILE 116 Ca 0.10 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2f98 s ILE 116 Cb -0.03 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 2f98 s ILE 116 CO 0.02 -0.14 -0.10 1.57 0.00 0.00 0.00 174.94 176.29 2f98 n HIS 117 N 7.91 0.00 -4.44 3.97 -0.00 0.38 -1.07 115.22 121.97 2f98 n HIS 117 Ca 0.19 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.17 2f98 n HIS 117 Cb 0.44 -0.50 -0.15 0.00 -0.12 0.00 0.00 29.99 29.66 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 -2.26 0.98 -0.14 1.57 5.65 -1.03 -2.20 115.29 117.85 2f98 s HIS 118 Ca -0.16 -0.21 -0.04 0.00 0.25 0.00 0.00 55.06 54.90 2f98 s HIS 118 Cb 0.04 -0.62 0.06 0.00 -1.18 0.00 0.00 32.58 30.88 2f98 s HIS 118 CO 0.32 -0.01 0.12 -1.58 -0.65 0.00 0.00 174.74 172.93 2f98 s HIS 119 N -0.34 0.02 -0.11 3.88 2.46 -0.35 -0.70 115.29 120.15 2f98 s HIS 119 Ca 0.04 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.60 2f98 s HIS 119 Cb -0.05 -0.52 -0.02 0.00 -0.13 0.00 0.00 32.58 31.86 2f98 s HIS 119 CO -0.00 -0.44 -0.11 0.50 -2.47 0.00 0.00 174.74 172.22 2f98 s ARG 120 N 2.21 3.19 0.00 2.88 3.52 0.14 -4.01 118.95 126.87 2f98 s ARG 120 Ca 0.04 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2f98 s ARG 120 Cb -0.15 -2.62 -0.01 0.00 -1.56 0.00 0.00 34.95 30.62 2f98 s ARG 120 CO -0.08 0.35 -0.08 0.16 -0.81 0.00 0.00 175.30 174.84 2f98 s ASP 121 N 0.01 0.90 -0.42 -2.12 -4.77 -1.26 -0.50 116.67 108.50 2f98 s ASP 121 Ca -0.03 -0.20 0.02 0.00 -3.30 0.00 0.00 52.55 49.04 2f98 s ASP 121 Cb -0.14 -0.08 0.12 0.00 -1.09 0.00 0.00 42.92 41.72 2f98 s ASP 121 CO 0.04 0.05 0.17 0.26 0.70 0.00 0.00 175.17 176.39 2f98 s TRP 122 N -0.35 3.56 0.88 2.11 0.51 0.44 -4.95 118.94 121.14 2f98 s TRP 122 Ca 0.01 -2.91 -0.10 0.00 -2.12 0.00 0.00 56.10 50.98 2f98 s TRP 122 Cb -0.04 -2.98 0.13 0.00 -0.81 0.00 0.00 33.47 29.76 2f98 s TRP 122 CO -0.00 -0.89 1.13 -2.14 -0.51 0.00 0.00 176.95 174.53 2f98 s PRO 123 N 0.56 1.30 -1.27 4.98 0.02 -1.26 -2.15 135.00 137.18 2f98 s PRO 123 Ca 0.13 1.42 -0.16 0.00 0.02 0.00 0.00 61.00 62.40 2f98 s PRO 123 Cb -0.22 -1.77 0.11 0.00 0.02 0.00 0.00 34.50 32.64 2f98 s PRO 123 CO -0.05 -2.39 1.62 -3.47 -0.33 0.00 0.00 177.00 172.38 2f98 n ASP 124 N -4.06 5.05 0.06 2.53 2.03 -0.91 -4.85 116.55 116.41 2f98 n ASP 124 Ca 0.11 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.35 2f98 n ASP 124 Cb 0.52 -1.68 -0.07 0.00 -0.72 0.00 0.00 41.12 39.18 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 7.39 -0.08 -0.43 -0.67 -1.99 -1.92 -0.75 116.97 118.52 2f98 h TYR 125 Ca 0.40 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.08 2f98 h TYR 125 Cb 0.87 0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.61 2f98 h TYR 125 CO 1.30 -0.05 0.10 1.96 -0.00 0.00 0.00 178.16 181.47 2f98 h GLN 126 N -0.08 0.69 -0.69 4.88 4.20 -1.99 0.16 115.11 122.30 2f98 h GLN 126 Ca -0.00 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.56 2f98 h GLN 126 Cb 0.07 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2f98 h GLN 126 CO -0.00 0.70 0.44 0.78 -0.67 0.00 0.00 178.83 180.08 2f98 h GLY 127 N 0.56 0.98 0.88 3.46 0.00 -1.94 -1.31 103.07 105.70 2f98 h GLY 127 Ca 0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2f98 h GLY 127 CO 0.00 0.31 -0.21 -0.84 0.00 0.00 0.00 176.54 175.80 2f98 h THR 128 N 0.88 1.31 -0.84 4.70 2.02 -0.79 -2.80 112.91 117.40 2f98 h THR 128 Ca 0.26 -1.36 0.09 0.00 0.77 0.00 0.00 66.41 66.18 2f98 h THR 128 Cb -0.04 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 2f98 h THR 128 CO -0.08 0.42 0.49 0.22 0.37 0.00 0.00 175.52 176.94 2f98 h TYR 129 N 0.27 0.89 -0.22 3.16 3.20 -0.38 -0.03 116.97 123.86 2f98 h TYR 129 Ca 0.04 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2f98 h TYR 129 Cb 0.75 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2f98 h TYR 129 CO 0.07 0.37 0.07 0.00 -1.64 0.00 0.00 178.16 177.04 2f98 h ARG 130 N 0.82 0.17 0.00 1.82 3.08 -1.17 0.57 114.38 119.67 2f98 h ARG 130 Ca 0.40 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 2f98 h ARG 130 Cb 0.35 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2f98 h ARG 130 CO -0.24 0.11 -0.11 1.96 -1.07 0.00 0.00 179.97 180.62 2f98 h GLN 131 N 0.17 0.00 -0.01 0.04 4.20 -0.98 -0.99 115.11 117.54 2f98 h GLN 131 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2f98 h GLN 131 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2f98 h GLN 131 CO -0.10 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 2f98 n LEU 132 N -3.58 0.21 -0.32 1.46 4.77 -0.14 -4.76 117.00 114.65 2f98 n LEU 132 Ca -0.02 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.84 2f98 n LEU 132 Cb 0.24 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2f98 n LEU 132 CO 0.29 0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.96 2f98 n GLY 133 N 0.92 0.70 3.67 -0.72 0.00 -0.38 -4.24 105.19 105.14 2f98 n GLY 133 Ca 0.18 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.87 -1.50 -2.12 1.61 1.02 0.16 -4.91 120.64 112.04 2f98 n GLU 134 Ca -0.04 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 57.22 2f98 n GLU 134 Cb 0.14 -4.28 0.01 0.00 -0.02 0.00 0.00 31.44 27.29 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 -5.90 3.34 0.08 3.49 0.04 -1.26 -5.02 135.00 129.77 2f98 s PRO 135 Ca 0.44 1.81 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 2f98 s PRO 135 Cb -0.15 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 2f98 s PRO 135 CO 0.85 -0.91 0.63 -1.58 0.04 0.00 0.00 177.00 176.04 2f98 s TRP 136 N -1.58 3.81 0.47 0.56 0.52 -1.26 -5.06 118.94 116.40 2f98 s TRP 136 Ca 0.71 1.36 -0.24 0.00 0.02 0.00 0.00 56.10 57.95 2f98 s TRP 136 Cb -0.30 -2.60 -0.07 0.00 -1.15 0.00 0.00 33.47 29.35 2f98 s TRP 136 CO 0.34 0.52 1.39 -1.25 0.02 0.00 0.00 176.95 177.97 2f98 s PRO 137 N -0.93 3.60 0.02 4.98 0.04 -1.26 -4.75 135.00 136.70 2f98 s PRO 137 Ca 0.31 2.32 0.23 0.00 0.04 0.00 0.00 61.00 63.90 2f98 s PRO 137 Cb -0.20 -2.57 0.12 0.00 0.04 0.00 0.00 34.50 31.89 2f98 s PRO 137 CO 0.21 -0.85 1.11 -0.85 0.04 0.00 0.00 177.00 176.66 2f98 n GLU 138 N -0.35 0.15 -3.53 4.56 0.28 0.45 -4.97 120.64 117.22 2f98 n GLU 138 Ca 0.06 -0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.94 2f98 n GLU 138 Cb 0.43 -1.55 -0.04 0.00 1.43 0.00 0.00 31.44 31.71 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 -3.10 0.00 -1.66 3.84 -1.32 -1.17 -5.03 115.64 107.20 2f98 s THR 139 Ca 0.07 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.79 2f98 s THR 139 Cb 0.16 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.21 2f98 s THR 139 CO 0.79 0.00 1.28 -1.84 -2.21 0.00 0.00 174.62 172.64 2f98 n GLU 140 N 0.36 0.76 0.00 7.08 0.28 -1.26 -4.27 120.64 123.59 2f98 n GLU 140 Ca -0.12 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.33 2f98 n GLU 140 Cb 0.60 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.98 2f98 n GLU 140 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2f98 n HIS 141 N -0.64 0.00 -0.07 -1.84 8.25 -1.26 -4.92 115.22 114.74 2f98 n HIS 141 Ca 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 2f98 n HIS 141 Cb 0.39 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 2f98 n HIS 141 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f98 h ARG 142 N 0.00 0.00 0.00 -0.41 2.47 -1.98 -3.37 114.38 111.09 2f98 h ARG 142 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2f98 h ARG 142 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2f98 h ARG 142 CO 0.00 0.69 0.00 -2.13 0.56 0.00 0.00 179.97 179.09