#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 7.04 0.24 6.15 0.15 -1.26 -4.92 113.70 121.11 2f98 s SER 2 Ca 0.00 1.63 0.08 0.00 0.70 0.00 0.00 55.95 58.36 2f98 s SER 2 Cb 0.00 -2.55 0.26 0.00 -1.71 0.00 0.00 66.02 62.02 2f98 s SER 2 CO 0.00 -0.66 1.56 -0.33 1.20 0.00 0.00 173.24 175.01 2f98 h GLU 3 N 7.71 0.08 -0.03 5.44 4.39 -2.02 -2.39 114.58 127.75 2f98 h GLU 3 Ca -0.27 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 2f98 h GLU 3 Cb 1.11 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2f98 h GLU 3 CO 0.94 0.71 0.02 1.96 -1.16 0.00 0.00 179.01 181.47 2f98 h GLN 4 N 0.05 0.04 -0.78 2.33 4.20 -1.94 0.39 115.11 119.40 2f98 h GLN 4 Ca -0.01 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2f98 h GLN 4 Cb 1.18 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 2f98 h GLN 4 CO 0.09 0.12 0.32 0.82 -0.67 0.00 0.00 178.83 179.51 2f98 h ILE 5 N -0.04 1.26 -0.79 2.54 2.04 -1.97 -1.08 117.51 119.46 2f98 h ILE 5 Ca 0.01 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2f98 h ILE 5 Cb 0.09 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 2f98 h ILE 5 CO -0.00 0.33 0.51 0.00 0.00 0.00 0.00 178.15 178.99 2f98 h ALA 6 N 1.17 1.01 -0.80 1.87 0.00 -1.29 0.01 119.26 121.23 2f98 h ALA 6 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2f98 h ALA 6 Cb 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2f98 h ALA 6 CO -0.02 0.43 0.37 0.00 0.00 0.00 0.00 179.25 180.03 2f98 h ALA 7 N 1.28 1.03 -0.22 0.00 0.00 -0.45 -1.89 119.26 119.01 2f98 h ALA 7 Ca 0.29 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2f98 h ALA 7 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2f98 h ALA 7 CO -0.06 0.60 -0.41 0.28 0.00 0.00 0.00 179.25 179.66 2f98 h VAL 8 N 1.13 1.30 -0.15 0.00 2.07 -0.86 -1.73 116.25 118.02 2f98 h VAL 8 Ca 0.27 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 2f98 h VAL 8 Cb 0.14 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2f98 h VAL 8 CO -0.03 0.49 -0.17 0.03 0.02 0.00 0.00 177.57 177.91 2f98 h ARG 9 N 0.42 0.24 -0.35 1.57 3.08 -0.76 -0.36 114.38 118.23 2f98 h ARG 9 Ca 0.04 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2f98 h ARG 9 Cb 0.90 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2f98 h ARG 9 CO 0.08 0.42 -0.31 0.00 -1.07 0.00 0.00 179.97 179.09 2f98 h ARG 10 N 0.23 0.83 -0.26 0.04 3.08 -0.96 -1.49 114.38 115.84 2f98 h ARG 10 Ca 0.04 -0.42 0.05 0.00 0.07 0.00 0.00 59.98 59.72 2f98 h ARG 10 Cb 0.44 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 2f98 h ARG 10 CO 0.03 1.06 -0.05 1.98 -1.07 0.00 0.00 179.97 181.91 2f98 h MET 11 N 0.61 0.01 -0.39 0.04 4.05 -0.93 -1.17 114.93 117.15 2f98 h MET 11 Ca 0.06 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 2f98 h MET 11 Cb 0.88 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.65 2f98 h MET 11 CO 0.08 0.01 0.17 0.28 0.23 0.00 0.00 176.91 177.68 2f98 h VAL 12 N 0.01 0.94 -0.01 -5.77 2.07 -0.97 -2.71 116.25 109.81 2f98 h VAL 12 Ca 0.13 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2f98 h VAL 12 Cb 0.19 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2f98 h VAL 12 CO -0.26 0.06 -0.19 -0.08 0.02 0.00 0.00 177.57 177.13 2f98 h GLU 13 N 0.35 0.01 -0.32 1.57 4.57 -0.89 -2.44 114.58 117.43 2f98 h GLU 13 Ca 0.17 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 2f98 h GLU 13 Cb 0.11 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 2f98 h GLU 13 CO -0.14 0.20 0.10 0.00 -1.18 0.00 0.00 179.01 177.98 2f98 h ALA 14 N 1.80 0.36 -0.42 2.92 0.00 -0.89 0.34 119.26 123.38 2f98 h ALA 14 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2f98 h ALA 14 Cb 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2f98 h ALA 14 CO 0.02 -0.31 0.24 1.88 0.00 0.00 0.00 179.25 181.09 2f98 h TYR 15 N 0.23 0.54 -0.02 0.00 -1.99 -1.42 0.60 116.97 114.91 2f98 h TYR 15 Ca 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 2f98 h TYR 15 Cb 0.13 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.69 2f98 h TYR 15 CO -0.15 0.37 -0.04 -0.91 -0.00 0.00 0.00 178.16 177.42 2f98 h ASN 16 N 0.57 0.07 1.03 3.88 2.35 -1.09 -3.34 115.58 119.05 2f98 h ASN 16 Ca 0.15 -0.60 -0.16 0.00 -0.55 0.00 0.00 56.30 55.14 2f98 h ASN 16 Cb -0.01 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2f98 h ASN 16 CO -0.03 0.65 -1.04 0.71 -1.65 0.00 0.00 177.43 176.08 2f98 h THR 17 N -0.52 0.81 -0.02 2.81 1.35 -0.31 -3.48 112.91 113.56 2f98 h THR 17 Ca -0.00 -2.31 -0.01 0.00 -0.55 0.00 0.00 66.41 63.55 2f98 h THR 17 Cb 0.64 2.31 -0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2f98 h THR 17 CO 0.01 0.46 -0.01 0.61 -0.25 0.00 0.00 175.52 176.35 2f98 n GLY 18 N 1.34 0.46 3.55 5.82 0.00 0.21 -5.03 105.19 111.53 2f98 n GLY 18 Ca -0.04 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.11 3.72 -0.01 1.61 1.02 -1.21 -4.94 119.74 118.82 2f98 s LYS 19 Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.53 2f98 s LYS 19 Cb 0.00 -3.68 0.03 0.00 -0.52 0.00 0.00 37.83 33.65 2f98 s LYS 19 CO 0.00 -0.29 0.90 0.25 -0.92 0.00 0.00 175.35 175.29 2f98 n THR 20 N 5.06 0.83 -0.03 2.17 -2.24 -1.26 -4.67 114.28 114.14 2f98 n THR 20 Ca -0.14 -0.87 0.08 0.00 -2.27 0.00 0.00 64.05 60.85 2f98 n THR 20 Cb 0.51 0.54 0.47 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.40 -0.68 3.42 3.45 -2.01 -2.95 116.42 118.05 2f98 h ASP 21 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2f98 h ASP 21 Cb 0.68 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2f98 h ASP 21 CO 0.00 0.27 0.00 -0.90 -1.57 0.00 0.00 179.24 177.04 2f98 n ASP 22 N -4.48 3.88 0.30 6.45 5.75 -1.26 -4.67 116.55 122.53 2f98 n ASP 22 Ca 0.06 -2.03 0.17 0.00 -0.01 0.00 0.00 54.79 52.98 2f98 n ASP 22 Cb 0.21 -0.46 0.93 0.00 -1.03 0.00 0.00 41.12 40.77 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 3.98 0.35 -0.02 2.12 -1.51 -1.86 -0.42 116.25 118.89 2f98 h VAL 23 Ca 0.00 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 2f98 h VAL 23 Cb 0.99 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2f98 h VAL 23 CO 0.02 0.03 0.04 0.00 -1.23 0.00 0.00 177.57 176.43 2f98 h ALA 24 N 1.96 1.34 -0.33 5.19 0.00 -1.83 0.94 119.26 126.53 2f98 h ALA 24 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2f98 h ALA 24 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2f98 h ALA 24 CO 0.00 -0.04 0.05 -0.44 0.00 0.00 0.00 179.25 178.82 2f98 h ASP 25 N 0.00 0.46 0.00 0.00 3.45 -1.45 -3.35 116.42 115.52 2f98 h ASP 25 Ca 0.01 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.40 2f98 h ASP 25 Cb 0.08 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 2f98 h ASP 25 CO -0.00 0.49 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 2f98 n TYR 26 N -4.32 0.00 -3.72 4.55 0.18 -0.84 -4.92 117.16 108.09 2f98 n TYR 26 Ca 0.02 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.43 2f98 n TYR 26 Cb 0.20 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.05 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 -0.47 4.81 0.43 -3.48 -1.09 0.26 -0.33 121.20 121.33 2f98 s ILE 27 Ca 0.00 -0.01 -0.26 0.00 -2.23 0.00 0.00 60.65 58.16 2f98 s ILE 27 Cb 0.00 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.54 2f98 s ILE 27 CO 0.00 0.32 1.39 -2.28 -1.23 0.00 0.00 174.94 173.15 2f98 s HIS 28 N 1.46 2.59 0.44 3.97 2.46 0.02 -4.50 115.29 121.74 2f98 s HIS 28 Ca 0.06 1.30 0.25 0.00 0.47 0.00 0.00 55.06 57.14 2f98 s HIS 28 Cb -0.15 -3.85 1.27 0.00 -0.13 0.00 0.00 32.58 29.72 2f98 s HIS 28 CO 0.06 -2.67 1.76 -1.35 -2.47 0.00 0.00 174.74 170.08 2f98 h PRO 29 N 2.52 0.24 -0.65 2.88 0.11 -1.92 0.10 132.00 135.27 2f98 h PRO 29 Ca -0.50 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.40 2f98 h PRO 29 Cb 1.26 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 2f98 h PRO 29 CO 0.62 0.16 0.21 0.39 -0.21 0.00 0.00 178.00 179.17 2f98 n GLU 30 N -4.51 3.44 -1.62 1.05 1.02 -1.26 -3.20 120.64 115.56 2f98 n GLU 30 Ca 0.27 -3.08 -0.48 0.00 -0.02 0.00 0.00 57.16 53.86 2f98 n GLU 30 Cb 1.04 -2.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.31 1.76 -4.32 -0.32 9.36 0.02 -4.65 117.16 118.71 2f98 n TYR 31 Ca 0.38 0.53 -0.18 0.00 3.32 0.00 0.00 57.90 61.95 2f98 n TYR 31 Cb 1.30 -2.39 -0.15 0.00 -0.63 0.00 0.00 39.34 37.48 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 -0.04 0.71 -0.28 2.98 -2.45 -0.65 -1.08 119.30 118.48 2f98 s MET 32 Ca 0.74 -0.28 0.03 0.00 -1.25 0.00 0.00 55.69 54.93 2f98 s MET 32 Cb -0.78 -0.68 0.07 0.00 1.25 0.00 0.00 34.83 34.69 2f98 s MET 32 CO 0.48 0.16 -0.05 1.21 1.05 0.00 0.00 175.02 177.87 2f98 s ASN 33 N -0.09 4.46 0.60 1.11 3.84 -1.26 -1.16 114.94 122.45 2f98 s ASN 33 Ca 0.02 -1.61 0.36 0.00 0.21 0.00 0.00 52.86 51.83 2f98 s ASN 33 Cb -0.04 -1.51 1.92 0.00 -0.55 0.00 0.00 41.25 41.07 2f98 s ASN 33 CO -0.00 -0.26 2.22 1.55 -2.79 0.00 0.00 177.10 177.82 2f98 h PRO 34 N 7.75 0.00 0.00 0.43 0.13 -2.00 -2.85 132.00 135.47 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 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2f98 h PRO 34 CO 0.47 0.03 -0.00 0.78 -0.23 0.00 0.00 178.00 179.05 2f98 h GLY 35 N 0.51 0.00 -1.46 1.56 0.00 -1.94 -2.83 103.07 98.91 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 -3.15 1.26 -0.02 4.70 -2.24 -1.07 -4.65 114.28 109.11 2f98 n THR 36 Ca -0.03 -1.16 0.17 0.00 -2.27 0.00 0.00 64.05 60.76 2f98 n THR 36 Cb 0.09 0.35 0.63 0.00 -2.10 0.00 0.00 70.33 69.30 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 2.16 0.12 -1.84 3.22 3.38 -1.67 0.61 115.31 121.30 2f98 h LEU 37 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2f98 h LEU 37 Cb 0.90 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2f98 h LEU 37 CO 0.05 0.07 -0.09 -0.08 0.09 0.00 0.00 178.44 178.48 2f98 h GLU 38 N 0.13 0.00 0.00 1.13 4.81 -1.84 -3.32 114.58 115.50 2f98 h GLU 38 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2f98 h GLU 38 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2f98 h GLU 38 CO -0.03 0.09 -1.55 1.19 -0.73 0.00 0.00 179.01 177.97 2f98 n PHE 39 N -4.42 0.00 -3.55 0.92 3.01 0.17 -5.05 117.46 108.54 2f98 n PHE 39 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.29 2f98 n PHE 39 Cb 0.16 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.28 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 -2.95 0.00 -1.92 4.37 -1.32 -0.97 -5.03 115.64 107.83 2f98 s THR 40 Ca -0.04 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 2f98 s THR 40 Cb 0.10 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.41 2f98 s THR 40 CO 0.62 0.00 1.25 -1.54 -2.21 0.00 0.00 174.62 172.74 2f98 n SER 41 N 0.91 3.02 -4.73 8.08 3.41 -1.26 -4.42 113.62 118.63 2f98 n SER 41 Ca -0.14 -1.88 -0.33 0.00 -0.26 0.00 0.00 58.87 56.26 2f98 n SER 41 Cb 0.57 -0.19 0.10 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.27 3.21 0.27 1.04 1.43 -1.26 -5.07 118.68 117.03 2f98 s LEU 42 Ca 0.30 2.17 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 2f98 s LEU 42 Cb 0.18 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2f98 s LEU 42 CO 0.24 -2.24 0.15 -0.13 0.23 0.00 0.00 176.35 174.60 2f98 s ARG 43 N -4.23 1.48 2.62 1.70 0.52 -1.26 -4.74 118.95 115.03 2f98 s ARG 43 Ca 0.69 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2f98 s ARG 43 Cb -0.24 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.20 2f98 s ARG 43 CO 0.48 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.79 2f98 n GLY 44 N -0.49 0.10 0.48 -3.53 0.00 -0.24 -2.85 105.19 98.67 2f98 n GLY 44 Ca 0.01 -0.98 0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 0.09 -0.40 1.61 0.11 -1.79 -0.11 132.00 131.51 2f98 h PRO 45 Ca 0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 2f98 h PRO 45 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2f98 h PRO 45 CO 0.00 0.06 -0.33 0.93 -0.21 0.00 0.00 178.00 178.45 2f98 h GLU 46 N 0.09 0.91 -0.06 1.05 5.08 -1.95 -1.56 114.58 118.15 2f98 h GLU 46 Ca 0.52 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2f98 h GLU 46 Cb 1.90 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 2f98 h GLU 46 CO -0.07 1.10 -0.00 1.25 -1.00 0.00 0.00 179.01 180.29 2f98 h LEU 47 N 0.76 0.10 -0.71 1.33 5.85 -0.87 -1.92 115.31 119.84 2f98 h LEU 47 Ca 0.07 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2f98 h LEU 47 Cb 0.91 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 2f98 h LEU 47 CO 0.08 0.40 0.39 0.15 -0.34 0.00 0.00 178.44 179.12 2f98 h PHE 48 N -0.19 0.72 -0.41 1.25 3.57 -1.43 -2.20 116.94 118.24 2f98 h PHE 48 Ca 0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2f98 h PHE 48 Cb 0.34 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2f98 h PHE 48 CO 0.04 0.32 -0.25 0.00 -2.23 0.00 0.00 178.31 176.19 2f98 h ALA 49 N 1.39 0.78 -0.06 2.41 0.00 -1.18 -2.09 119.26 120.52 2f98 h ALA 49 Ca 0.33 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2f98 h ALA 49 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2f98 h ALA 49 CO -0.21 0.65 -0.48 0.97 0.00 0.00 0.00 179.25 180.18 2f98 h ILE 50 N 0.74 1.34 -0.27 0.00 2.10 -1.17 -2.00 117.51 118.25 2f98 h ILE 50 Ca 0.09 -1.69 -0.12 0.00 1.08 0.00 0.00 64.86 64.23 2f98 h ILE 50 Cb 0.79 1.84 -0.00 0.00 -1.09 0.00 0.00 36.82 38.36 2f98 h ILE 50 CO 0.07 0.49 -0.30 0.78 -1.08 0.00 0.00 178.15 178.11 2f98 h ASN 51 N 0.12 0.74 -0.35 2.19 -0.26 -1.21 0.18 115.58 116.99 2f98 h ASN 51 Ca 0.00 -0.48 0.04 0.00 -0.56 0.00 0.00 56.30 55.30 2f98 h ASN 51 Cb 0.90 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.91 2f98 h ASN 51 CO 0.07 1.07 0.11 0.58 -1.06 0.00 0.00 177.43 178.20 2f98 h VAL 52 N 0.42 0.89 -0.70 2.81 2.07 -1.37 -1.59 116.25 118.78 2f98 h VAL 52 Ca 0.04 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2f98 h VAL 52 Cb 0.87 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2f98 h VAL 52 CO 0.07 0.05 0.30 0.00 0.02 0.00 0.00 177.57 178.01 2f98 h ALA 53 N 1.23 1.23 -0.38 1.67 0.00 -1.16 -1.82 119.26 120.02 2f98 h ALA 53 Ca 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2f98 h ALA 53 Cb 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2f98 h ALA 53 CO -0.17 0.58 0.17 2.35 0.00 0.00 0.00 179.25 182.18 2f98 h TRP 54 N 1.00 0.31 -0.16 0.00 7.01 -0.23 -1.41 115.95 122.47 2f98 h TRP 54 Ca 0.24 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.26 2f98 h TRP 54 Cb 0.15 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2f98 h TRP 54 CO 0.01 0.15 0.08 0.28 -2.79 0.00 0.00 178.44 176.18 2f98 h VAL 55 N 0.36 1.00 -0.81 2.65 2.07 -0.75 0.48 116.25 121.24 2f98 h VAL 55 Ca 0.17 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 2f98 h VAL 55 Cb 0.10 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2f98 h VAL 55 CO -0.14 0.03 0.34 0.50 0.02 0.00 0.00 177.57 178.33 2f98 h LYS 56 N 0.17 1.20 -0.34 1.57 1.63 -1.28 0.33 116.57 119.86 2f98 h LYS 56 Ca 0.06 -0.21 -0.17 0.00 -0.85 0.00 0.00 60.65 59.48 2f98 h LYS 56 Cb 0.01 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.44 2f98 h LYS 56 CO -0.04 0.96 -0.46 -0.22 -3.45 0.00 0.00 179.45 176.23 2f98 h LYS 57 N 1.18 0.91 0.09 1.90 3.64 -1.06 -2.16 116.57 121.07 2f98 h LYS 57 Ca 0.27 -0.53 -0.34 0.00 -1.27 0.00 0.00 60.65 58.78 2f98 h LYS 57 Cb 0.19 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2f98 h LYS 57 CO -0.03 1.17 -1.92 2.41 -2.27 0.00 0.00 179.45 178.81 2f98 n THR 58 N -4.04 1.73 -0.18 1.00 -1.04 0.14 -4.17 114.28 107.73 2f98 n THR 58 Ca -0.03 -0.70 0.09 0.00 -2.04 0.00 0.00 64.05 61.36 2f98 n THR 58 Cb 0.59 -1.52 0.22 0.00 -1.82 0.00 0.00 70.33 67.80 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 0.65 0.00 -1.42 3.72 0.12 -0.59 117.46 116.58 2f98 n PHE 59 Ca -0.28 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 2f98 n PHE 59 Cb 1.05 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 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 1.05 0.00 0.29 4.37 3.41 -0.84 -2.03 113.62 119.87 2f98 n SER 60 Ca 0.17 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.92 2f98 n SER 60 Cb 0.51 0.23 0.86 0.00 -0.26 0.00 0.00 64.21 65.56 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 -1.82 -1.46 114.58 120.02 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 0.00 -0.01 0.39 -1.16 0.00 0.00 179.01 178.23 2f98 n GLU 62 N -3.99 0.61 -1.68 2.33 -0.58 -1.26 -4.88 120.64 111.18 2f98 n GLU 62 Ca -0.03 -0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.25 2f98 n GLU 62 Cb 0.09 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 2f98 n GLU 62 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f98 n ALA 63 N -1.18 1.55 -2.58 0.62 0.00 -0.55 -4.86 120.51 113.51 2f98 n ALA 63 Ca 0.17 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.81 2f98 n ALA 63 Cb 0.21 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.16 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 0.28 1.13 -0.24 0.00 1.81 -0.37 -4.65 118.95 116.91 2f98 s ARG 64 Ca 0.73 -0.75 -0.05 0.00 -1.72 0.00 0.00 55.73 53.94 2f98 s ARG 64 Cb -0.63 -1.15 -0.01 0.00 -0.45 0.00 0.00 34.95 32.71 2f98 s ARG 64 CO 0.43 0.30 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.83 2f98 s LEU 65 N -0.95 3.14 -0.13 2.53 1.43 -1.26 -0.53 118.68 122.90 2f98 s LEU 65 Ca 0.04 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2f98 s LEU 65 Cb -0.08 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2f98 s LEU 65 CO 0.01 -0.05 0.07 -1.61 0.23 0.00 0.00 176.35 175.00 2f98 s GLU 66 N 1.50 3.48 -0.05 1.70 0.41 0.46 -4.92 118.70 121.28 2f98 s GLU 66 Ca 0.05 -0.29 -0.27 0.00 -0.41 0.00 0.00 54.97 54.05 2f98 s GLU 66 Cb -0.15 -3.07 -0.03 0.00 -1.78 0.00 0.00 34.13 29.10 2f98 s GLU 66 CO -0.01 0.58 0.87 -2.00 -0.49 0.00 0.00 175.26 174.20 2f98 s GLU 67 N -0.50 4.48 -0.23 1.61 2.12 -1.26 -0.62 118.70 124.30 2f98 s GLU 67 Ca 0.10 1.18 -0.06 0.00 0.36 0.00 0.00 54.97 56.56 2f98 s GLU 67 Cb -0.12 -3.47 -0.18 0.00 0.26 0.00 0.00 34.13 30.62 2f98 s GLU 67 CO 0.02 -0.06 -0.09 0.28 -0.54 0.00 0.00 175.26 174.87 2f98 n VAL 68 N 4.00 1.57 -3.59 3.70 0.31 0.24 -4.96 118.33 119.59 2f98 n VAL 68 Ca 0.03 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.82 2f98 n VAL 68 Cb 0.51 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 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 -5.93 -0.23 -0.04 2.92 0.00 -1.04 -5.01 107.32 97.99 2f98 s GLY 69 Ca -0.33 1.87 -0.01 0.00 0.00 0.00 0.00 44.72 46.25 2f98 s GLY 69 CO 0.61 0.71 0.09 -0.42 0.00 0.00 0.00 173.10 174.09 2f98 s ILE 70 N -1.98 -0.06 0.27 0.90 1.01 -1.26 -0.29 121.20 119.79 2f98 s ILE 70 Ca 0.07 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.01 2f98 s ILE 70 Cb -0.01 -0.16 -0.06 0.00 0.01 0.00 0.00 42.46 42.25 2f98 s ILE 70 CO -0.05 0.09 -0.09 -1.83 0.00 0.00 0.00 174.94 173.06 2f98 s GLU 71 N 1.19 1.54 0.05 2.79 1.03 -0.17 -5.00 118.70 120.12 2f98 s GLU 71 Ca -0.08 -1.75 0.02 0.00 0.03 0.00 0.00 54.97 53.18 2f98 s GLU 71 Cb -0.12 -1.25 -0.03 0.00 -0.80 0.00 0.00 34.13 31.93 2f98 s GLU 71 CO -0.04 0.10 -0.07 -1.83 -1.33 0.00 0.00 175.26 172.09 2f98 s GLU 72 N -3.68 0.55 -0.24 -4.83 -1.05 -1.26 -0.74 118.70 107.44 2f98 s GLU 72 Ca 0.28 -0.85 -0.02 0.00 -0.15 0.00 0.00 54.97 54.23 2f98 s GLU 72 Cb 0.02 -0.20 0.12 0.00 -0.44 0.00 0.00 34.13 33.63 2f98 s GLU 72 CO 0.11 0.02 0.30 0.50 0.95 0.00 0.00 175.26 177.14 2f98 s ARG 73 N -2.01 0.29 7.00 -4.83 3.52 0.12 -5.00 118.95 118.04 2f98 s ARG 73 Ca -0.07 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 2f98 s ARG 73 Cb -0.07 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.53 2f98 s ARG 73 CO -0.01 -0.77 0.00 0.00 -0.81 0.00 0.00 175.30 173.71 2f98 n ALA 74 N 5.33 0.00 0.12 6.12 0.00 -1.26 -1.70 120.51 129.12 2f98 n ALA 74 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.43 2f98 n ALA 74 Cb 0.49 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.12 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 6.64 3.21 -4.26 0.00 5.75 -1.26 -4.88 116.55 121.75 2f98 n ASP 75 Ca 0.00 -2.44 -0.26 0.00 -0.01 0.00 0.00 54.79 52.08 2f98 n ASP 75 Cb 0.00 -0.59 -0.14 0.00 -1.03 0.00 0.00 41.12 39.36 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 -1.81 1.88 -0.03 2.11 0.52 -0.69 -0.65 118.94 120.26 2f98 s TRP 76 Ca 0.25 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.04 2f98 s TRP 76 Cb 0.19 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.38 2f98 s TRP 76 CO 0.07 0.09 -0.16 0.08 0.02 0.00 0.00 176.95 177.05 2f98 s VAL 77 N -0.78 1.29 -0.15 4.03 1.01 0.06 -0.70 120.40 125.17 2f98 s VAL 77 Ca 0.08 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2f98 s VAL 77 Cb -0.09 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2f98 s VAL 77 CO 0.02 0.37 -0.21 -0.60 0.00 0.00 0.00 175.10 174.68 2f98 s ARG 78 N -0.08 3.03 -0.11 2.72 3.52 0.08 -0.47 118.95 127.63 2f98 s ARG 78 Ca -0.00 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 2f98 s ARG 78 Cb -0.09 -2.49 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2f98 s ARG 78 CO 0.01 -0.06 -0.18 0.00 -0.81 0.00 0.00 175.30 174.25 2f98 s ALA 79 N 0.94 2.42 -0.34 6.12 0.00 -0.21 -1.00 121.76 129.68 2f98 s ALA 79 Ca -0.04 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 2f98 s ALA 79 Cb -0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2f98 s ALA 79 CO -0.05 0.28 0.22 1.03 0.00 0.00 0.00 175.76 177.25 2f98 s ARG 80 N 0.29 3.31 0.32 0.00 0.52 0.60 -1.32 118.95 122.67 2f98 s ARG 80 Ca -0.13 -0.76 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 2f98 s ARG 80 Cb -0.17 -3.75 -0.06 0.00 0.52 0.00 0.00 34.95 31.49 2f98 s ARG 80 CO 0.07 -0.50 0.03 -0.51 0.02 0.00 0.00 175.30 174.41 2f98 s LEU 81 N 1.67 2.27 -0.05 2.53 1.43 -0.49 -0.59 118.68 125.45 2f98 s LEU 81 Ca 0.05 -1.34 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2f98 s LEU 81 Cb -0.18 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.62 2f98 s LEU 81 CO 0.09 -0.55 -0.04 -0.69 0.23 0.00 0.00 176.35 175.39 2f98 s VAL 82 N -3.22 0.56 -0.15 -1.59 1.01 0.21 0.24 120.40 117.46 2f98 s VAL 82 Ca 0.35 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2f98 s VAL 82 Cb 0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2f98 s VAL 82 CO 0.15 0.24 0.24 -0.22 0.00 0.00 0.00 175.10 175.51 2f98 s LEU 83 N 1.04 4.28 -0.04 3.92 2.96 -0.08 -0.40 118.68 130.35 2f98 s LEU 83 Ca -0.09 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 2f98 s LEU 83 Cb -0.14 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 2f98 s LEU 83 CO -0.01 0.19 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.66 2f98 s TYR 84 N 0.05 2.42 0.18 5.38 2.02 0.31 -1.37 117.35 126.33 2f98 s TYR 84 Ca 0.15 -0.52 -0.19 0.00 -0.37 0.00 0.00 57.07 56.14 2f98 s TYR 84 Cb -0.13 -1.56 0.07 0.00 -0.40 0.00 0.00 41.96 39.94 2f98 s TYR 84 CO 0.03 -0.09 0.90 0.41 -1.57 0.00 0.00 175.55 175.24 2f98 n GLY 85 N 2.64 0.70 2.97 0.71 0.00 -0.74 -1.24 105.19 110.24 2f98 n GLY 85 Ca -0.17 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.05 0.82 -0.75 1.61 3.52 -0.86 -1.49 118.95 119.75 2f98 s ARG 86 Ca 0.20 -0.24 -0.27 0.00 -0.13 0.00 0.00 55.73 55.29 2f98 s ARG 86 Cb -0.03 -0.78 0.03 0.00 -1.56 0.00 0.00 34.95 32.61 2f98 s ARG 86 CO 0.05 0.08 1.27 -1.58 -0.81 0.00 0.00 175.30 174.31 2f98 s HIS 87 N 0.26 2.30 -0.07 5.12 5.65 0.11 -3.62 115.29 125.04 2f98 s HIS 87 Ca -0.04 -0.09 0.01 0.00 0.25 0.00 0.00 55.06 55.19 2f98 s HIS 87 Cb -0.08 -4.62 0.00 0.00 -1.18 0.00 0.00 32.58 26.70 2f98 s HIS 87 CO 0.00 -2.06 0.32 1.33 -0.65 0.00 0.00 174.74 173.69 2f98 n VAL 88 N 6.38 0.00 -4.36 0.89 0.24 0.24 -0.31 118.33 121.40 2f98 n VAL 88 Ca 0.04 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.34 61.65 2f98 n VAL 88 Cb 0.49 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.47 1.49 0.38 7.63 0.00 -0.96 -4.82 107.32 110.56 2f98 s GLY 89 Ca 0.01 -1.68 -0.26 0.00 0.00 0.00 0.00 44.72 42.78 2f98 s GLY 89 CO 0.02 -1.78 1.16 -2.21 0.00 0.00 0.00 173.10 170.29 2f98 n GLU 90 N -0.38 1.72 -3.66 2.90 4.07 -1.26 -4.20 120.64 119.82 2f98 n GLU 90 Ca -0.08 0.61 -0.10 0.00 -0.06 0.00 0.00 57.16 57.53 2f98 n GLU 90 Cb 0.60 -2.18 -0.10 0.00 -0.06 0.00 0.00 31.44 29.70 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 -1.95 0.30 -1.78 5.31 -2.45 -0.83 -4.91 119.30 112.99 2f98 s MET 91 Ca 0.60 0.95 -0.16 0.00 -1.25 0.00 0.00 55.69 55.82 2f98 s MET 91 Cb -0.57 0.22 0.16 0.00 1.25 0.00 0.00 34.83 35.89 2f98 s MET 91 CO 0.59 -0.25 0.43 1.33 1.05 0.00 0.00 175.02 178.17 2f98 n VAL 92 N 5.24 -0.38 -1.00 10.11 0.24 -1.26 0.13 118.33 131.41 2f98 n VAL 92 Ca -0.10 -0.16 -0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2f98 n VAL 92 Cb 0.50 -0.72 -0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.54 0.48 3.74 7.63 0.00 -1.26 -4.89 105.19 109.36 2f98 n GLY 93 Ca -0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.16 4.05 0.63 1.61 -1.94 0.12 -0.84 119.30 122.78 2f98 s MET 94 Ca 0.00 -0.22 -0.18 0.00 -1.71 0.00 0.00 55.69 53.58 2f98 s MET 94 Cb 0.00 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 2f98 s MET 94 CO 0.00 0.37 1.18 0.00 -0.01 0.00 0.00 175.02 176.56 2f98 n ALA 95 N 3.29 0.82 -1.72 3.03 0.00 -1.26 -1.96 120.51 122.70 2f98 n ALA 95 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2f98 n ALA 95 Cb 0.52 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 2f98 n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2f98 n PRO 96 N -1.57 2.41 0.00 0.00 -0.01 -1.26 -4.84 135.00 129.74 2f98 n PRO 96 Ca 0.15 0.85 0.11 0.00 -0.01 0.00 0.00 63.50 64.60 2f98 n PRO 96 Cb 0.48 -2.55 -0.05 0.00 -0.01 0.00 0.00 33.50 31.37 2f98 n PRO 96 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2f98 n THR 97 N 1.43 0.03 -1.14 3.45 -2.24 -1.21 -4.96 114.28 109.63 2f98 n THR 97 Ca 0.07 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 2f98 n THR 97 Cb 0.36 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.46 0.63 3.74 3.38 0.00 0.58 -4.98 105.19 109.99 2f98 n GLY 98 Ca 0.03 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.96 4.39 0.52 1.61 1.81 -1.25 -4.67 118.95 119.40 2f98 s ARG 99 Ca 0.00 0.82 -0.21 0.00 -1.72 0.00 0.00 55.73 54.62 2f98 s ARG 99 Cb 0.00 -3.39 -0.06 0.00 -0.45 0.00 0.00 34.95 31.05 2f98 s ARG 99 CO 0.00 0.23 1.21 -0.51 -0.68 0.00 0.00 175.30 175.55 2f98 s LEU 100 N 0.24 3.86 0.12 2.53 1.43 -1.26 -0.71 118.68 124.89 2f98 s LEU 100 Ca 0.34 2.40 -0.21 0.00 -1.03 0.00 0.00 54.13 55.63 2f98 s LEU 100 Cb -0.18 -4.38 0.06 0.00 0.03 0.00 0.00 46.19 41.72 2f98 s LEU 100 CO 0.18 -1.25 0.54 0.72 0.23 0.00 0.00 176.35 176.76 2f98 s PHE 101 N -1.54 -0.43 -0.11 0.29 -0.12 -0.56 -4.66 117.98 110.85 2f98 s PHE 101 Ca 0.70 0.27 -0.08 0.00 -0.05 0.00 0.00 56.93 57.77 2f98 s PHE 101 Cb -0.31 0.43 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2f98 s PHE 101 CO 0.36 -0.76 0.29 0.45 -0.05 0.00 0.00 175.22 175.50 2f98 s SER 102 N -2.55 -0.31 -0.10 1.98 0.15 -1.26 -1.79 113.70 109.81 2f98 s SER 102 Ca -0.00 0.59 -0.09 0.00 0.70 0.00 0.00 55.95 57.15 2f98 s SER 102 Cb -0.00 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 2f98 s SER 102 CO -0.10 -0.13 0.27 -0.83 1.20 0.00 0.00 173.24 173.66 2f98 s GLY 103 N 0.61 -0.20 0.67 9.45 0.00 -0.47 -4.77 107.32 112.60 2f98 s GLY 103 Ca -0.04 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.35 2f98 s GLY 103 CO -0.04 0.80 1.24 -0.54 0.00 0.00 0.00 173.10 174.56 2f98 s GLU 104 N 0.38 2.47 0.03 2.90 2.02 -1.26 -0.91 118.70 124.32 2f98 s GLU 104 Ca -0.02 1.90 0.01 0.00 0.02 0.00 0.00 54.97 56.88 2f98 s GLU 104 Cb -0.04 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 2f98 s GLU 104 CO -0.02 -1.62 -0.05 -0.65 0.02 0.00 0.00 175.26 172.94 2f98 s GLN 105 N -3.58 0.40 -0.10 1.61 -0.21 0.14 -2.17 119.66 115.75 2f98 s GLN 105 Ca 0.78 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 55.61 2f98 s GLN 105 Cb -0.33 -0.16 -0.02 0.00 1.00 0.00 0.00 33.01 33.51 2f98 s GLN 105 CO 0.41 0.02 -0.14 0.42 -2.12 0.00 0.00 175.29 173.88 2f98 s ILE 106 N -1.12 3.04 -0.06 1.08 -1.09 -0.95 -1.40 121.20 120.69 2f98 s ILE 106 Ca -0.09 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 2f98 s ILE 106 Cb -0.08 -2.24 -0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2f98 s ILE 106 CO -0.00 0.55 -0.19 -1.00 -1.23 0.00 0.00 174.94 173.07 2f98 s HIS 107 N -0.10 1.94 -0.16 3.97 3.76 -0.44 -0.43 115.29 123.83 2f98 s HIS 107 Ca -0.02 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 2f98 s HIS 107 Cb -0.14 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.24 2f98 s HIS 107 CO 0.04 -0.24 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.01 2f98 s LEU 108 N 0.17 2.38 -0.12 0.89 1.02 0.34 -1.04 118.68 122.32 2f98 s LEU 108 Ca -0.09 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.56 2f98 s LEU 108 Cb -0.14 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.54 2f98 s LEU 108 CO 0.04 0.06 -0.18 -0.76 0.02 0.00 0.00 176.35 175.52 2f98 s LEU 109 N 0.97 1.90 -0.22 1.79 2.01 0.37 -1.21 118.68 124.30 2f98 s LEU 109 Ca -0.03 -0.51 -0.09 0.00 0.01 0.00 0.00 54.13 53.52 2f98 s LEU 109 Cb -0.15 -1.25 -0.04 0.00 0.01 0.00 0.00 46.19 44.76 2f98 s LEU 109 CO -0.03 0.05 0.10 -2.28 1.01 0.00 0.00 176.35 175.20 2f98 s HIS 110 N 0.87 3.25 -0.08 0.29 5.65 -0.34 -0.76 115.29 124.17 2f98 s HIS 110 Ca -0.08 0.05 -0.14 0.00 0.25 0.00 0.00 55.06 55.15 2f98 s HIS 110 Cb -0.15 -2.18 -0.05 0.00 -1.18 0.00 0.00 32.58 29.02 2f98 s HIS 110 CO -0.01 0.03 0.34 -0.06 -0.65 0.00 0.00 174.74 174.39 2f98 s PHE 111 N 0.85 3.60 -0.01 3.88 0.40 0.17 -0.60 117.98 126.27 2f98 s PHE 111 Ca 0.05 0.78 0.02 0.00 -0.60 0.00 0.00 56.93 57.19 2f98 s PHE 111 Cb -0.13 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.11 2f98 s PHE 111 CO 0.03 0.47 -0.07 0.08 0.70 0.00 0.00 175.22 176.43 2f98 s VAL 112 N -0.38 0.61 -1.28 -0.44 1.01 -0.43 -4.84 120.40 114.64 2f98 s VAL 112 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2f98 s VAL 112 Cb -0.15 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.71 2f98 s VAL 112 CO 0.08 0.19 0.15 0.47 0.00 0.00 0.00 175.10 175.99 2f98 n ASP 113 N 3.10 -4.51 -0.04 3.32 10.43 -1.26 -1.09 116.55 126.50 2f98 n ASP 113 Ca -0.16 0.01 -0.01 0.00 2.57 0.00 0.00 54.79 57.21 2f98 n ASP 113 Cb 0.56 -3.77 -0.00 0.00 1.84 0.00 0.00 41.12 39.75 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 -0.99 0.37 3.28 0.44 0.00 -1.26 -5.02 105.19 102.02 2f98 n GLY 114 Ca -0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.85 1.14 -0.18 1.61 1.02 -0.25 -4.94 119.74 117.29 2f98 s LYS 115 Ca 0.00 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.27 2f98 s LYS 115 Cb 0.00 -0.89 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 2f98 s LYS 115 CO 0.00 0.15 1.46 0.42 -0.92 0.00 0.00 175.35 176.46 2f98 s ILE 116 N -2.81 3.93 -0.18 2.17 1.01 0.55 -1.32 121.20 124.56 2f98 s ILE 116 Ca 0.16 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.91 2f98 s ILE 116 Cb -0.01 -3.82 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 2f98 s ILE 116 CO 0.03 -0.22 -0.16 1.57 0.00 0.00 0.00 174.94 176.16 2f98 n HIS 117 N 7.42 0.00 -4.69 3.97 -0.00 0.24 -0.80 115.22 121.36 2f98 n HIS 117 Ca 0.16 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.11 2f98 n HIS 117 Cb 0.45 -0.68 -0.15 0.00 -0.12 0.00 0.00 29.99 29.49 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 -2.35 1.49 -0.09 1.57 5.65 -1.07 -1.64 115.29 118.85 2f98 s HIS 118 Ca -0.24 -0.31 -0.03 0.00 0.25 0.00 0.00 55.06 54.73 2f98 s HIS 118 Cb 0.06 -0.93 0.04 0.00 -1.18 0.00 0.00 32.58 30.57 2f98 s HIS 118 CO 0.40 0.00 0.10 -1.58 -0.65 0.00 0.00 174.74 173.02 2f98 s HIS 119 N -0.53 0.01 -0.06 3.88 2.46 -0.30 -1.20 115.29 119.54 2f98 s HIS 119 Ca 0.06 0.23 0.05 0.00 0.47 0.00 0.00 55.06 55.87 2f98 s HIS 119 Cb -0.07 -0.46 -0.02 0.00 -0.13 0.00 0.00 32.58 31.90 2f98 s HIS 119 CO 0.00 -0.30 -0.20 0.50 -2.47 0.00 0.00 174.74 172.27 2f98 s ARG 120 N 2.20 2.54 0.02 2.88 3.52 -0.35 -3.94 118.95 125.82 2f98 s ARG 120 Ca 0.04 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2f98 s ARG 120 Cb -0.13 -2.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 2f98 s ARG 120 CO -0.05 0.48 -0.06 0.16 -0.81 0.00 0.00 175.30 175.02 2f98 s ASP 121 N -0.38 0.64 -0.43 -2.12 -4.77 -1.26 -0.50 116.67 107.84 2f98 s ASP 121 Ca 0.03 -0.33 0.04 0.00 -3.30 0.00 0.00 52.55 48.99 2f98 s ASP 121 Cb -0.12 0.00 0.12 0.00 -1.09 0.00 0.00 42.92 41.82 2f98 s ASP 121 CO 0.02 -0.10 0.16 0.26 0.70 0.00 0.00 175.17 176.21 2f98 s TRP 122 N -0.81 3.47 0.86 2.11 0.51 0.43 -4.97 118.94 120.53 2f98 s TRP 122 Ca -0.05 -3.08 -0.11 0.00 -2.12 0.00 0.00 56.10 50.74 2f98 s TRP 122 Cb -0.06 -2.88 0.12 0.00 -0.81 0.00 0.00 33.47 29.83 2f98 s TRP 122 CO 0.00 -0.84 1.14 -2.14 -0.51 0.00 0.00 176.95 174.60 2f98 s PRO 123 N 0.29 1.40 -1.32 4.98 0.02 -1.26 -2.25 135.00 136.85 2f98 s PRO 123 Ca 0.14 1.49 -0.16 0.00 0.02 0.00 0.00 61.00 62.49 2f98 s PRO 123 Cb -0.23 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.60 2f98 s PRO 123 CO -0.04 -2.34 1.82 -3.47 -0.33 0.00 0.00 177.00 172.65 2f98 n ASP 124 N -3.94 4.73 -0.07 2.53 2.03 -0.92 -4.85 116.55 116.06 2f98 n ASP 124 Ca 0.11 -2.92 -0.07 0.00 0.52 0.00 0.00 54.79 52.43 2f98 n ASP 124 Cb 0.52 -1.68 -0.01 0.00 -0.72 0.00 0.00 41.12 39.23 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 6.98 -0.28 -0.40 -0.67 -1.99 -1.91 -0.86 116.97 117.85 2f98 h TYR 125 Ca 0.46 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 61.10 2f98 h TYR 125 Cb 0.80 0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 2f98 h TYR 125 CO 1.37 -0.18 -0.19 1.96 -0.00 0.00 0.00 178.16 181.12 2f98 h GLN 126 N -0.07 0.83 -0.56 4.88 4.20 -1.99 0.44 115.11 122.85 2f98 h GLN 126 Ca 0.14 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 2f98 h GLN 126 Cb 0.29 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2f98 h GLN 126 CO -0.33 1.00 0.28 0.78 -0.67 0.00 0.00 178.83 179.89 2f98 h GLY 127 N 0.64 0.85 0.86 3.46 0.00 -1.94 -1.09 103.07 105.85 2f98 h GLY 127 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2f98 h GLY 127 CO 0.06 0.39 0.04 -0.84 0.00 0.00 0.00 176.54 176.18 2f98 h THR 128 N 0.75 1.15 -0.99 4.70 2.02 -0.97 -2.41 112.91 117.15 2f98 h THR 128 Ca 0.19 -0.46 0.07 0.00 0.77 0.00 0.00 66.41 66.99 2f98 h THR 128 Cb 0.09 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 2f98 h THR 128 CO -0.03 0.13 0.64 0.22 0.37 0.00 0.00 175.52 176.86 2f98 h TYR 129 N -0.01 1.18 -0.07 3.16 3.20 -0.68 0.64 116.97 124.39 2f98 h TYR 129 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2f98 h TYR 129 Cb 0.18 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2f98 h TYR 129 CO -0.01 0.59 0.03 0.00 -1.64 0.00 0.00 178.16 177.13 2f98 h ARG 130 N 1.14 0.07 0.00 1.82 3.08 -1.05 0.50 114.38 119.94 2f98 h ARG 130 Ca 0.44 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 2f98 h ARG 130 Cb 0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2f98 h ARG 130 CO -0.19 0.05 -0.07 1.96 -1.07 0.00 0.00 179.97 180.65 2f98 h GLN 131 N 0.07 0.00 0.00 0.04 4.20 -0.77 -0.99 115.11 117.67 2f98 h GLN 131 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2f98 h GLN 131 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2f98 h GLN 131 CO -0.02 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 2f98 n LEU 132 N -3.86 0.00 -0.26 1.46 4.77 0.12 -4.75 117.00 114.48 2f98 n LEU 132 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 2f98 n LEU 132 Cb 0.16 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2f98 n LEU 132 CO 0.30 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 176.94 2f98 n GLY 133 N 0.64 0.64 3.78 -0.72 0.00 -0.37 -4.25 105.19 104.90 2f98 n GLY 133 Ca 0.18 -0.84 -0.32 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 -2.85 -1.51 -1.95 1.61 1.02 0.13 -4.91 120.64 112.19 2f98 n GLU 134 Ca -0.03 0.40 -0.38 0.00 -0.02 0.00 0.00 57.16 57.13 2f98 n GLU 134 Cb 0.12 -4.02 0.02 0.00 -0.02 0.00 0.00 31.44 27.54 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 -6.25 3.43 0.12 3.49 0.04 -1.26 -5.01 135.00 129.56 2f98 s PRO 135 Ca 0.39 2.10 -0.26 0.00 0.04 0.00 0.00 61.00 63.28 2f98 s PRO 135 Cb -0.15 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 2f98 s PRO 135 CO 0.88 -0.91 0.79 -1.58 0.04 0.00 0.00 177.00 176.21 2f98 s TRP 136 N -1.37 3.84 0.54 0.56 0.52 -1.26 -5.07 118.94 116.71 2f98 s TRP 136 Ca 0.67 1.59 -0.21 0.00 0.02 0.00 0.00 56.10 58.17 2f98 s TRP 136 Cb -0.37 -2.81 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2f98 s TRP 136 CO 0.44 0.41 1.31 -1.25 0.02 0.00 0.00 176.95 177.88 2f98 s PRO 137 N -0.67 3.19 0.11 4.98 0.04 -1.26 -4.75 135.00 136.64 2f98 s PRO 137 Ca 0.38 2.12 0.22 0.00 0.04 0.00 0.00 61.00 63.76 2f98 s PRO 137 Cb -0.22 -2.23 -0.11 0.00 0.04 0.00 0.00 34.50 31.97 2f98 s PRO 137 CO 0.25 -1.11 0.84 -0.85 0.04 0.00 0.00 177.00 176.17 2f98 n GLU 138 N -1.03 0.62 -3.61 4.56 0.28 -0.02 -4.98 120.64 116.47 2f98 n GLU 138 Ca 0.10 0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 57.02 2f98 n GLU 138 Cb 0.46 -1.73 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 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 -3.34 0.05 -1.14 3.84 -1.32 -1.11 -5.00 115.64 107.62 2f98 s THR 139 Ca -0.03 -0.39 0.24 0.00 -1.21 0.00 0.00 61.69 60.31 2f98 s THR 139 Cb 0.11 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 2f98 s THR 139 CO 0.83 -0.21 1.34 -1.84 -2.21 0.00 0.00 174.62 172.52 2f98 n GLU 140 N 0.20 0.15 -0.88 7.08 0.28 -1.26 -4.27 120.64 121.94 2f98 n GLU 140 Ca -0.18 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 2f98 n GLU 140 Cb 0.61 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.99 2f98 n GLU 140 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69