#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f99 s SER 2 N 0.00 6.89 0.28 6.15 0.15 -1.26 -4.92 113.70 120.99 2f99 s SER 2 Ca 0.00 2.18 0.05 0.00 0.70 0.00 0.00 55.95 58.88 2f99 s SER 2 Cb 0.00 -2.58 0.41 0.00 -1.71 0.00 0.00 66.02 62.14 2f99 s SER 2 CO 0.00 -0.64 1.68 -0.33 1.20 0.00 0.00 173.24 175.15 2f99 h GLU 3 N 7.19 0.31 0.00 5.44 4.39 -2.02 -2.24 114.58 127.65 2f99 h GLU 3 Ca -0.40 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.15 2f99 h GLU 3 Cb 1.20 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2f99 h GLU 3 CO 0.87 0.67 -0.00 1.96 -1.16 0.00 0.00 179.01 181.34 2f99 h GLN 4 N 0.26 -0.00 -0.67 2.33 4.20 -1.94 -1.05 115.11 118.24 2f99 h GLN 4 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2f99 h GLN 4 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2f99 h GLN 4 CO 0.07 0.17 0.41 0.82 -0.67 0.00 0.00 178.83 179.63 2f99 h ILE 5 N -0.17 1.19 -0.77 2.54 2.04 -1.96 -1.04 117.51 119.34 2f99 h ILE 5 Ca -0.00 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.51 2f99 h ILE 5 Cb 0.17 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 2f99 h ILE 5 CO 0.00 0.20 0.45 0.00 0.00 0.00 0.00 178.15 178.80 2f99 h ALA 6 N 1.21 1.05 -0.57 1.87 0.00 -1.30 -0.04 119.26 121.49 2f99 h ALA 6 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2f99 h ALA 6 Cb -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2f99 h ALA 6 CO -0.05 0.15 0.26 0.00 0.00 0.00 0.00 179.25 179.62 2f99 h ALA 7 N 1.39 0.73 -0.61 0.00 0.00 -0.55 -1.19 119.26 119.02 2f99 h ALA 7 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2f99 h ALA 7 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2f99 h ALA 7 CO -0.19 0.31 0.19 0.28 0.00 0.00 0.00 179.25 179.84 2f99 h VAL 8 N 0.77 1.23 -0.28 0.00 2.07 -0.67 -1.46 116.25 117.92 2f99 h VAL 8 Ca 0.19 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2f99 h VAL 8 Cb 0.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2f99 h VAL 8 CO -0.02 0.31 -0.09 0.03 0.02 0.00 0.00 177.57 177.82 2f99 h ARG 9 N 0.90 0.45 -0.63 1.57 3.08 -0.60 0.08 114.38 119.23 2f99 h ARG 9 Ca 0.20 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2f99 h ARG 9 Cb 0.26 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2f99 h ARG 9 CO -0.01 0.55 0.09 0.00 -1.07 0.00 0.00 179.97 179.53 2f99 h ARG 10 N 0.42 1.05 -0.25 0.04 3.08 -0.72 0.08 114.38 118.09 2f99 h ARG 10 Ca 0.08 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.88 2f99 h ARG 10 Cb 0.42 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2f99 h ARG 10 CO 0.02 0.98 0.06 1.98 -1.07 0.00 0.00 179.97 181.94 2f99 h MET 11 N 0.96 0.15 -0.67 0.04 4.05 -0.66 -0.77 114.93 118.04 2f99 h MET 11 Ca 0.19 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2f99 h MET 11 Cb 0.45 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2f99 h MET 11 CO 0.01 0.10 0.34 0.28 0.23 0.00 0.00 176.91 177.87 2f99 h VAL 12 N 0.16 1.22 -0.72 -5.77 2.07 -0.72 -2.48 116.25 110.01 2f99 h VAL 12 Ca 0.11 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2f99 h VAL 12 Cb 0.11 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2f99 h VAL 12 CO -0.14 0.25 0.47 -0.08 0.02 0.00 0.00 177.57 178.09 2f99 h GLU 13 N 0.92 0.95 -0.71 1.57 4.57 -0.69 -2.00 114.58 119.20 2f99 h GLU 13 Ca 0.23 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2f99 h GLU 13 Cb 0.09 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 2f99 h GLU 13 CO -0.03 0.64 0.45 0.00 -1.18 0.00 0.00 179.01 178.88 2f99 h ALA 14 N 1.54 0.90 -0.81 2.92 0.00 -0.69 0.15 119.26 123.27 2f99 h ALA 14 Ca 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2f99 h ALA 14 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 2f99 h ALA 14 CO -0.06 0.34 0.34 1.88 0.00 0.00 0.00 179.25 181.76 2f99 h TYR 15 N 0.96 1.21 0.04 0.00 -1.99 -1.21 0.31 116.97 116.29 2f99 h TYR 15 Ca 0.26 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.90 2f99 h TYR 15 Cb -0.07 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.29 2f99 h TYR 15 CO -0.02 0.90 -0.02 -0.91 -0.00 0.00 0.00 178.16 178.11 2f99 h ASN 16 N 1.17 -0.05 1.22 3.88 2.35 -0.81 -3.30 115.58 120.04 2f99 h ASN 16 Ca 0.27 -0.32 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 2f99 h ASN 16 Cb 0.18 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2f99 h ASN 16 CO -0.03 0.30 -0.81 0.71 -1.65 0.00 0.00 177.43 175.95 2f99 h THR 17 N -0.40 0.62 0.00 2.81 1.35 -0.73 -3.47 112.91 113.08 2f99 h THR 17 Ca -0.01 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 2f99 h THR 17 Cb 0.37 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2f99 h THR 17 CO 0.01 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2f99 n GLY 18 N 1.27 0.63 3.60 5.82 0.00 0.11 -5.00 105.19 111.61 2f99 n GLY 18 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2f99 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f99 s LYS 19 N -0.34 3.83 -0.06 1.61 1.02 -1.23 -4.90 119.74 119.67 2f99 s LYS 19 Ca 0.00 0.46 0.09 0.00 0.02 0.00 0.00 55.97 56.54 2f99 s LYS 19 Cb 0.00 -3.78 0.14 0.00 -0.52 0.00 0.00 37.83 33.66 2f99 s LYS 19 CO 0.00 -0.83 1.03 0.25 -0.92 0.00 0.00 175.35 174.88 2f99 n THR 20 N 5.76 1.03 -0.12 2.17 -2.24 -1.26 -4.58 114.28 115.04 2f99 n THR 20 Ca 0.04 -1.21 0.12 0.00 -2.27 0.00 0.00 64.05 60.73 2f99 n THR 20 Cb 0.48 0.19 0.47 0.00 -2.10 0.00 0.00 70.33 69.37 2f99 n THR 20 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2f99 h ASP 21 N 0.00 0.43 -0.30 3.42 -0.00 -2.02 -3.03 116.42 114.92 2f99 h ASP 21 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 2f99 h ASP 21 Cb 1.06 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 2f99 h ASP 21 CO 0.00 0.26 0.00 -0.90 -0.00 0.00 0.00 179.24 178.60 2f99 n ASP 22 N -4.48 3.77 0.27 2.28 5.75 -1.26 -4.69 116.55 118.19 2f99 n ASP 22 Ca 0.11 -2.77 0.11 0.00 -0.01 0.00 0.00 54.79 52.23 2f99 n ASP 22 Cb 0.37 -0.48 0.73 0.00 -1.03 0.00 0.00 41.12 40.72 2f99 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2f99 h VAL 23 N 2.01 0.72 0.00 2.12 -1.51 -1.89 -0.57 116.25 117.14 2f99 h VAL 23 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2f99 h VAL 23 Cb 1.31 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2f99 h VAL 23 CO 0.19 0.08 0.00 0.00 -1.23 0.00 0.00 177.57 176.61 2f99 h ALA 24 N 1.92 1.00 -0.23 5.19 0.00 -1.84 0.63 119.26 125.93 2f99 h ALA 24 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2f99 h ALA 24 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2f99 h ALA 24 CO 0.01 0.00 0.05 -0.44 0.00 0.00 0.00 179.25 178.87 2f99 h ASP 25 N 0.00 0.29 0.00 0.00 3.45 -1.48 -3.36 116.42 115.32 2f99 h ASP 25 Ca 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.43 2f99 h ASP 25 Cb 0.01 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2f99 h ASP 25 CO 0.00 0.30 0.00 0.00 -1.57 0.00 0.00 179.24 177.97 2f99 n TYR 26 N -4.40 0.00 -3.72 4.55 0.18 -0.83 -4.97 117.16 107.97 2f99 n TYR 26 Ca 0.00 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.42 2f99 n TYR 26 Cb 0.15 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.00 2f99 n TYR 26 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2f99 s ILE 27 N -0.17 5.00 0.40 -3.48 -1.09 0.15 -0.77 121.20 121.24 2f99 s ILE 27 Ca 0.00 0.06 -0.27 0.00 -2.23 0.00 0.00 60.65 58.21 2f99 s ILE 27 Cb 0.00 -3.34 -0.09 0.00 -1.58 0.00 0.00 42.46 37.45 2f99 s ILE 27 CO 0.00 0.33 1.36 -2.28 -1.23 0.00 0.00 174.94 173.12 2f99 s HIS 28 N 1.30 2.74 0.57 3.97 2.46 -0.12 -4.38 115.29 121.83 2f99 s HIS 28 Ca 0.06 1.35 0.30 0.00 0.47 0.00 0.00 55.06 57.24 2f99 s HIS 28 Cb -0.14 -3.77 1.45 0.00 -0.13 0.00 0.00 32.58 29.98 2f99 s HIS 28 CO 0.06 -2.37 1.84 -1.00 -2.47 0.00 0.00 174.74 170.81 2f99 h PRO 29 N 2.75 0.00 -0.60 2.88 0.13 -1.93 0.18 132.00 135.41 2f99 h PRO 29 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2f99 h PRO 29 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2f99 h PRO 29 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 2f99 n GLU 30 N -3.92 3.31 -1.56 0.86 1.02 -1.26 -3.22 120.64 115.87 2f99 n GLU 30 Ca 0.15 -2.71 -0.51 0.00 -0.02 0.00 0.00 57.16 54.07 2f99 n GLU 30 Cb 0.89 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 2f99 n GLU 30 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2f99 n TYR 31 N 1.05 1.12 -3.89 -0.32 9.36 0.05 -4.62 117.16 119.91 2f99 n TYR 31 Ca 0.23 0.74 -0.11 0.00 3.32 0.00 0.00 57.90 62.08 2f99 n TYR 31 Cb 0.76 -2.24 -0.13 0.00 -0.63 0.00 0.00 39.34 37.10 2f99 n TYR 31 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2f99 s MET 32 N -0.25 0.12 -0.21 2.98 -2.45 -1.07 -0.79 119.30 117.64 2f99 s MET 32 Ca 0.76 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 55.08 2f99 s MET 32 Cb -0.93 0.05 0.05 0.00 1.25 0.00 0.00 34.83 35.26 2f99 s MET 32 CO 0.52 -0.02 -0.05 1.21 1.05 0.00 0.00 175.02 177.73 2f99 s ASN 33 N -0.39 3.45 0.58 1.11 3.84 -1.26 -1.70 114.94 120.57 2f99 s ASN 33 Ca -0.04 -0.98 0.28 0.00 0.21 0.00 0.00 52.86 52.33 2f99 s ASN 33 Cb -0.03 -1.06 1.75 0.00 -0.55 0.00 0.00 41.25 41.36 2f99 s ASN 33 CO -0.00 -0.22 2.23 1.55 -2.79 0.00 0.00 177.10 177.87 2f99 h PRO 34 N 8.03 0.00 0.00 0.43 0.13 -2.01 -2.10 132.00 136.47 2f99 h PRO 34 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2f99 h PRO 34 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2f99 h PRO 34 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2f99 n GLY 35 N -1.36 -1.24 0.62 1.56 0.00 -1.26 -2.72 105.19 100.80 2f99 n GLY 35 Ca -0.02 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.15 2f99 n GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f99 n THR 36 N -2.22 1.33 0.17 2.61 -2.24 -0.79 -4.59 114.28 108.55 2f99 n THR 36 Ca 0.02 -1.25 0.07 0.00 -2.27 0.00 0.00 64.05 60.62 2f99 n THR 36 Cb 0.21 0.30 0.57 0.00 -2.10 0.00 0.00 70.33 69.31 2f99 n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2f99 h LEU 37 N 1.73 0.15 -1.92 3.22 3.38 -1.63 -1.62 115.31 118.62 2f99 h LEU 37 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2f99 h LEU 37 Cb 0.89 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2f99 h LEU 37 CO 0.05 0.11 -0.10 -0.08 0.09 0.00 0.00 178.44 178.51 2f99 h GLU 38 N 0.18 0.00 0.00 1.13 4.81 -1.83 -3.31 114.58 115.56 2f99 h GLU 38 Ca 0.05 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.92 2f99 h GLU 38 Cb -0.01 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2f99 h GLU 38 CO -0.01 0.10 -2.34 1.19 -0.73 0.00 0.00 179.01 177.22 2f99 n PHE 39 N -4.17 0.00 -3.59 0.92 3.01 -0.62 -5.04 117.46 107.97 2f99 n PHE 39 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 2f99 n PHE 39 Cb 0.18 -0.96 -0.03 0.00 -0.01 0.00 0.00 39.48 38.66 2f99 n PHE 39 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2f99 s THR 40 N -2.47 0.02 -1.29 4.37 -1.32 -1.13 -5.02 115.64 108.79 2f99 s THR 40 Ca -0.11 -0.41 0.18 0.00 -1.21 0.00 0.00 61.69 60.14 2f99 s THR 40 Cb 0.06 -1.29 0.61 0.00 -1.51 0.00 0.00 72.50 70.37 2f99 s THR 40 CO 0.78 -0.08 1.52 -1.54 -2.21 0.00 0.00 174.62 173.09 2f99 n SER 41 N -0.35 4.14 -4.76 8.08 3.41 -1.26 -4.48 113.62 118.40 2f99 n SER 41 Ca -0.14 -2.27 -0.32 0.00 -0.26 0.00 0.00 58.87 55.88 2f99 n SER 41 Cb 0.63 -0.49 0.07 0.00 -0.26 0.00 0.00 64.21 64.17 2f99 n SER 41 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2f99 s LEU 42 N -1.50 3.25 0.25 1.04 1.43 -1.26 -5.07 118.68 116.83 2f99 s LEU 42 Ca 0.45 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.57 2f99 s LEU 42 Cb 0.27 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 2f99 s LEU 42 CO 0.25 -1.91 0.12 -0.13 0.23 0.00 0.00 176.35 174.91 2f99 s ARG 43 N -4.32 1.38 1.88 1.70 3.00 -1.26 -4.77 118.95 116.55 2f99 s ARG 43 Ca 0.66 -1.75 0.00 0.00 0.00 0.00 0.00 55.73 54.64 2f99 s ARG 43 Cb -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 34.95 34.67 2f99 s ARG 43 CO 0.47 -0.35 0.00 0.41 0.00 0.00 0.00 175.30 175.82 2f99 n GLY 44 N -0.43 -1.24 0.34 -3.53 0.00 0.03 -2.36 105.19 98.00 2f99 n GLY 44 Ca 0.01 -1.24 0.15 0.00 0.00 0.00 0.00 46.02 44.94 2f99 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f99 h PRO 45 N 0.00 0.07 0.00 1.61 0.13 -1.76 -2.07 132.00 129.98 2f99 h PRO 45 Ca 0.00 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2f99 h PRO 45 Cb 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 2f99 h PRO 45 CO 0.00 0.05 -0.11 0.93 -0.23 0.00 0.00 178.00 178.64 2f99 h GLU 46 N 0.07 -0.18 -0.18 0.86 3.07 -1.95 0.74 114.58 117.02 2f99 h GLU 46 Ca 0.17 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.07 2f99 h GLU 46 Cb 0.60 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 2f99 h GLU 46 CO -0.01 -0.12 0.03 1.25 -1.40 0.00 0.00 179.01 178.75 2f99 h LEU 47 N -0.19 0.00 -0.37 1.33 5.85 -1.00 -1.88 115.31 119.04 2f99 h LEU 47 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2f99 h LEU 47 Cb 0.24 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2f99 h LEU 47 CO -0.11 0.03 0.21 0.15 -0.34 0.00 0.00 178.44 178.38 2f99 h PHE 48 N 0.10 0.39 -0.73 1.25 3.57 -1.20 -0.10 116.94 120.22 2f99 h PHE 48 Ca 0.08 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2f99 h PHE 48 Cb 0.07 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 2f99 h PHE 48 CO -0.14 0.23 0.43 0.00 -2.23 0.00 0.00 178.31 176.60 2f99 h ALA 49 N 1.17 0.97 -0.10 2.41 0.00 -0.72 -0.15 119.26 122.84 2f99 h ALA 49 Ca 0.15 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2f99 h ALA 49 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2f99 h ALA 49 CO -0.08 0.16 -0.59 -0.84 0.00 0.00 0.00 179.25 177.91 2f99 h ILE 50 N 0.82 1.37 -0.56 0.00 -0.00 -0.94 -1.93 117.51 116.27 2f99 h ILE 50 Ca 0.31 -1.93 -0.02 0.00 -0.00 0.00 0.00 64.86 63.23 2f99 h ILE 50 Cb 0.12 1.94 -0.03 0.00 -0.00 0.00 0.00 36.82 38.86 2f99 h ILE 50 CO -0.15 0.58 0.28 0.78 -0.00 0.00 0.00 178.15 179.64 2f99 h ASN 51 N 0.24 0.71 -0.27 2.16 2.35 -0.44 -0.00 115.58 120.34 2f99 h ASN 51 Ca -0.00 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2f99 h ASN 51 Cb 1.10 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 2f99 h ASN 51 CO 0.10 0.62 0.15 0.58 -1.65 0.00 0.00 177.43 177.23 2f99 h VAL 52 N 0.75 1.02 -0.65 2.81 2.07 -0.94 -1.51 116.25 119.80 2f99 h VAL 52 Ca 0.19 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2f99 h VAL 52 Cb 0.09 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2f99 h VAL 52 CO -0.03 0.06 0.40 0.00 0.02 0.00 0.00 177.57 178.02 2f99 h ALA 53 N 1.12 0.84 -0.82 1.67 0.00 -1.11 -1.94 119.26 119.02 2f99 h ALA 53 Ca 0.11 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2f99 h ALA 53 Cb 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2f99 h ALA 53 CO -0.06 0.17 0.51 2.35 0.00 0.00 0.00 179.25 182.22 2f99 h TRP 54 N 0.80 0.94 -0.23 0.00 7.01 -0.69 -0.21 115.95 123.57 2f99 h TRP 54 Ca 0.26 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.28 2f99 h TRP 54 Cb 0.00 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 2f99 h TRP 54 CO -0.05 0.49 0.15 0.28 -2.79 0.00 0.00 178.44 176.52 2f99 h VAL 55 N 0.94 1.07 -0.58 2.65 2.07 -0.62 0.16 116.25 121.95 2f99 h VAL 55 Ca 0.35 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 2f99 h VAL 55 Cb 0.14 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2f99 h VAL 55 CO -0.16 0.07 0.13 0.11 0.02 0.00 0.00 177.57 177.74 2f99 h LYS 56 N 0.30 0.91 -0.22 1.57 1.79 -1.05 0.81 116.57 120.67 2f99 h LYS 56 Ca 0.08 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.29 2f99 h LYS 56 Cb -0.01 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2f99 h LYS 56 CO -0.02 0.82 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.84 2f99 h LYS 57 N 0.87 0.46 0.13 3.15 3.64 -0.77 -1.91 116.57 122.15 2f99 h LYS 57 Ca 0.19 -0.21 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 2f99 h LYS 57 Cb 0.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2f99 h LYS 57 CO 0.00 0.75 -1.51 1.15 -2.27 0.00 0.00 179.45 177.57 2f99 h THR 58 N 0.17 1.18 -0.32 1.00 2.02 -0.54 -3.34 112.91 113.09 2f99 h THR 58 Ca 0.05 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.43 2f99 h THR 58 Cb 0.62 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2f99 h THR 58 CO 0.03 0.83 0.00 0.49 0.37 0.00 0.00 175.52 177.24 2f99 n PHE 59 N -3.49 0.42 0.00 3.16 3.72 0.26 -0.67 117.46 120.87 2f99 n PHE 59 Ca -0.16 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 2f99 n PHE 59 Cb 1.05 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 2f99 n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2f99 n SER 60 N 0.42 0.00 0.14 4.37 3.41 -0.74 -1.71 113.62 119.51 2f99 n SER 60 Ca 0.11 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.88 2f99 n SER 60 Cb 0.41 0.48 0.74 0.00 -0.26 0.00 0.00 64.21 65.58 2f99 n SER 60 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f99 h GLU 61 N 0.00 0.00 -0.01 4.33 4.39 -1.83 -1.10 114.58 120.36 2f99 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f99 h GLU 61 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f99 h GLU 61 CO 0.00 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.24 2f99 n GLU 62 N -4.17 1.29 -1.68 2.33 1.02 -1.26 -4.91 120.64 113.26 2f99 n GLU 62 Ca 0.04 -0.43 -0.43 0.00 -0.02 0.00 0.00 57.16 56.32 2f99 n GLU 62 Cb 0.38 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2f99 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f99 n ALA 63 N -0.47 1.17 -2.59 0.62 0.00 -0.42 -4.88 120.51 113.95 2f99 n ALA 63 Ca 0.21 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.81 2f99 n ALA 63 Cb 0.21 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.27 2f99 n ALA 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2f99 s ARG 64 N -1.37 1.10 -0.32 0.00 0.52 0.05 -4.66 118.95 114.27 2f99 s ARG 64 Ca 0.60 -0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 2f99 s ARG 64 Cb -0.60 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 33.81 2f99 s ARG 64 CO 0.58 0.29 0.05 -0.51 0.02 0.00 0.00 175.30 175.73 2f99 s LEU 65 N -0.84 4.14 0.05 2.53 1.43 -1.26 -0.22 118.68 124.52 2f99 s LEU 65 Ca 0.04 -1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 51.75 2f99 s LEU 65 Cb -0.07 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 2f99 s LEU 65 CO 0.01 -0.30 0.39 -1.61 0.23 0.00 0.00 176.35 175.06 2f99 s GLU 66 N 1.30 3.78 -0.25 1.70 0.41 0.43 -4.87 118.70 121.19 2f99 s GLU 66 Ca -0.03 0.21 -0.14 0.00 -0.41 0.00 0.00 54.97 54.60 2f99 s GLU 66 Cb -0.20 -3.06 -0.04 0.00 -1.78 0.00 0.00 34.13 29.05 2f99 s GLU 66 CO 0.00 0.60 0.34 -2.00 -0.49 0.00 0.00 175.26 173.71 2f99 s GLU 67 N -1.67 4.04 -0.16 1.61 2.12 -1.26 -0.46 118.70 122.92 2f99 s GLU 67 Ca 0.30 -0.00 -0.19 0.00 0.36 0.00 0.00 54.97 55.44 2f99 s GLU 67 Cb -0.14 -3.62 -0.23 0.00 0.26 0.00 0.00 34.13 30.40 2f99 s GLU 67 CO 0.16 -0.19 0.38 0.28 -0.54 0.00 0.00 175.26 175.36 2f99 h VAL 68 N 5.28 1.00 -1.58 3.70 2.07 -1.24 -3.49 116.25 121.99 2f99 h VAL 68 Ca -0.33 -2.27 0.17 0.00 0.82 0.00 0.00 66.70 65.08 2f99 h VAL 68 Cb 1.17 2.51 -0.21 0.00 -1.52 0.00 0.00 31.29 33.24 2f99 h VAL 68 CO 0.65 0.52 0.70 -0.83 0.02 0.00 0.00 177.57 178.62 2f99 s GLY 69 N -4.90 -0.25 -0.02 2.17 0.00 -1.02 -5.02 107.32 98.28 2f99 s GLY 69 Ca -0.25 1.84 -0.00 0.00 0.00 0.00 0.00 44.72 46.31 2f99 s GLY 69 CO 0.67 0.75 0.03 -0.42 0.00 0.00 0.00 173.10 174.13 2f99 s ILE 70 N -1.90 -0.04 0.27 0.90 1.01 -1.26 -0.46 121.20 119.71 2f99 s ILE 70 Ca 0.05 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2f99 s ILE 70 Cb -0.01 -0.10 -0.06 0.00 0.01 0.00 0.00 42.46 42.30 2f99 s ILE 70 CO -0.04 0.10 -0.02 -1.83 0.00 0.00 0.00 174.94 173.15 2f99 s GLU 71 N 1.14 1.48 0.03 2.79 1.03 -0.31 -5.00 118.70 119.86 2f99 s GLU 71 Ca -0.08 -1.76 -0.02 0.00 0.03 0.00 0.00 54.97 53.13 2f99 s GLU 71 Cb -0.13 -0.91 -0.02 0.00 -0.80 0.00 0.00 34.13 32.27 2f99 s GLU 71 CO -0.03 -0.05 0.02 -1.83 -1.33 0.00 0.00 175.26 172.05 2f99 s GLU 72 N -3.80 0.50 -0.21 -4.83 -1.05 -1.26 -0.55 118.70 107.50 2f99 s GLU 72 Ca 0.30 -0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 54.25 2f99 s GLU 72 Cb 0.05 0.18 0.11 0.00 -0.44 0.00 0.00 34.13 34.03 2f99 s GLU 72 CO 0.11 -0.10 0.33 0.50 0.95 0.00 0.00 175.26 177.05 2f99 s ARG 73 N -2.57 0.28 4.15 -4.83 3.52 -0.08 -5.00 118.95 114.42 2f99 s ARG 73 Ca -0.05 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2f99 s ARG 73 Cb -0.02 -0.44 0.00 0.00 -1.56 0.00 0.00 34.95 32.93 2f99 s ARG 73 CO -0.05 -0.53 0.00 0.00 -0.81 0.00 0.00 175.30 173.91 2f99 n ALA 74 N 5.36 0.00 0.96 6.12 0.00 -1.26 -1.25 120.51 130.43 2f99 n ALA 74 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2f99 n ALA 74 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 2f99 n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2f99 n ASP 75 N 4.46 1.74 -4.46 0.00 8.00 -1.26 -4.87 116.55 120.15 2f99 n ASP 75 Ca 0.00 -2.07 -0.31 0.00 0.71 0.00 0.00 54.79 53.12 2f99 n ASP 75 Cb 0.00 -0.26 -0.13 0.00 -0.02 0.00 0.00 41.12 40.71 2f99 n ASP 75 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2f99 s TRP 76 N -1.63 2.60 -0.03 1.24 0.52 -0.38 -0.73 118.94 120.52 2f99 s TRP 76 Ca 0.19 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 56.14 2f99 s TRP 76 Cb 0.11 -1.51 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 2f99 s TRP 76 CO 0.11 0.23 -0.21 0.08 0.02 0.00 0.00 176.95 177.18 2f99 s VAL 77 N -0.87 1.68 -0.19 4.03 1.01 -0.09 -0.91 120.40 125.06 2f99 s VAL 77 Ca 0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2f99 s VAL 77 Cb -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2f99 s VAL 77 CO 0.04 0.47 -0.13 -0.60 0.00 0.00 0.00 175.10 174.89 2f99 s ARG 78 N -0.37 3.20 -0.16 2.72 3.52 0.29 -0.77 118.95 127.38 2f99 s ARG 78 Ca 0.05 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2f99 s ARG 78 Cb -0.09 -2.75 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2f99 s ARG 78 CO 0.00 -0.14 -0.09 0.00 -0.81 0.00 0.00 175.30 174.26 2f99 s ALA 79 N 1.22 2.74 -0.40 6.12 0.00 0.01 -1.16 121.76 130.29 2f99 s ALA 79 Ca 0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 2f99 s ALA 79 Cb -0.14 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.60 2f99 s ALA 79 CO -0.06 0.06 0.25 1.03 0.00 0.00 0.00 175.76 177.04 2f99 s ARG 80 N 0.66 2.86 0.31 0.00 0.52 0.39 -0.79 118.95 122.89 2f99 s ARG 80 Ca -0.05 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.10 2f99 s ARG 80 Cb -0.15 -3.84 -0.06 0.00 0.52 0.00 0.00 34.95 31.42 2f99 s ARG 80 CO 0.02 -0.76 0.01 -0.51 0.02 0.00 0.00 175.30 174.09 2f99 s LEU 81 N 1.59 2.36 -0.06 2.53 1.43 -0.59 -0.68 118.68 125.25 2f99 s LEU 81 Ca 0.03 -1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2f99 s LEU 81 Cb -0.20 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.54 2f99 s LEU 81 CO 0.07 -0.49 -0.00 -0.69 0.23 0.00 0.00 176.35 175.47 2f99 s VAL 82 N -3.15 0.35 -0.05 -1.59 1.01 0.39 0.16 120.40 117.51 2f99 s VAL 82 Ca 0.33 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2f99 s VAL 82 Cb 0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2f99 s VAL 82 CO 0.14 0.24 0.53 -0.22 0.00 0.00 0.00 175.10 175.80 2f99 s LEU 83 N 1.78 4.36 -0.01 3.92 2.96 -0.34 -0.43 118.68 130.91 2f99 s LEU 83 Ca 0.02 1.00 0.08 0.00 -0.22 0.00 0.00 54.13 55.00 2f99 s LEU 83 Cb -0.13 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 2f99 s LEU 83 CO -0.04 0.07 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.51 2f99 s TYR 84 N 0.11 2.15 0.07 5.38 2.02 0.70 -0.80 117.35 126.97 2f99 s TYR 84 Ca 0.29 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.49 2f99 s TYR 84 Cb -0.17 -1.37 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2f99 s TYR 84 CO 0.14 -0.02 0.42 0.41 -1.57 0.00 0.00 175.55 174.93 2f99 n GLY 85 N 2.42 0.97 3.01 0.71 0.00 -0.70 -0.77 105.19 110.83 2f99 n GLY 85 Ca -0.16 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 2f99 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f99 s ARG 86 N -2.02 1.65 -0.63 1.61 3.52 -0.70 -1.61 118.95 120.77 2f99 s ARG 86 Ca 0.10 -0.39 -0.27 0.00 -0.13 0.00 0.00 55.73 55.03 2f99 s ARG 86 Cb -0.01 -1.38 0.00 0.00 -1.56 0.00 0.00 34.95 32.00 2f99 s ARG 86 CO 0.02 0.01 1.59 -1.58 -0.81 0.00 0.00 175.30 174.53 2f99 s HIS 87 N 0.71 1.99 0.00 5.12 5.65 -0.02 -3.60 115.29 125.13 2f99 s HIS 87 Ca -0.14 0.45 0.00 0.00 0.25 0.00 0.00 55.06 55.63 2f99 s HIS 87 Cb -0.16 -4.32 0.00 0.00 -1.18 0.00 0.00 32.58 26.92 2f99 s HIS 87 CO 0.03 -2.19 0.20 1.33 -0.65 0.00 0.00 174.74 173.46 2f99 n VAL 88 N 6.89 0.00 -4.30 0.89 0.24 0.15 -0.30 118.33 121.90 2f99 n VAL 88 Ca 0.13 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.34 61.84 2f99 n VAL 88 Cb 0.50 1.09 -0.11 0.00 -1.47 0.00 0.00 33.84 33.85 2f99 n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f99 s GLY 89 N -0.42 1.26 0.24 7.63 0.00 -0.92 -4.80 107.32 110.32 2f99 s GLY 89 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 44.72 42.93 2f99 s GLY 89 CO 0.00 -1.56 1.35 -2.21 0.00 0.00 0.00 173.10 170.68 2f99 n GLU 90 N 0.09 1.89 -3.79 2.90 4.07 -1.26 -4.36 120.64 120.18 2f99 n GLU 90 Ca -0.12 0.67 -0.27 0.00 -0.06 0.00 0.00 57.16 57.38 2f99 n GLU 90 Cb 0.59 -2.29 -0.17 0.00 -0.06 0.00 0.00 31.44 29.51 2f99 n GLU 90 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 2f99 s MET 91 N -0.58 0.87 -1.36 5.31 -2.45 -0.66 -4.87 119.30 115.57 2f99 s MET 91 Ca 0.67 -0.37 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2f99 s MET 91 Cb -0.67 -1.89 0.00 0.00 1.25 0.00 0.00 34.83 33.52 2f99 s MET 91 CO 0.51 -0.53 0.00 1.33 1.05 0.00 0.00 175.02 177.39 2f99 n VAL 92 N 5.01 -0.87 -0.83 10.11 0.24 -1.26 -0.32 118.33 130.41 2f99 n VAL 92 Ca -0.09 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2f99 n VAL 92 Cb 0.48 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 2f99 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2f99 n GLY 93 N -2.39 0.82 3.69 7.63 0.00 -1.25 -4.92 105.19 108.78 2f99 n GLY 93 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2f99 n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f99 s MET 94 N -0.17 4.14 0.64 1.61 -1.94 0.56 -0.44 119.30 123.70 2f99 s MET 94 Ca 0.00 -0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 53.61 2f99 s MET 94 Cb 0.00 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.35 2f99 s MET 94 CO 0.00 0.16 1.22 0.00 -0.01 0.00 0.00 175.02 176.40 2f99 s ALA 95 N 0.75 2.39 0.20 3.03 0.00 -1.26 -1.65 121.76 125.22 2f99 s ALA 95 Ca 0.09 1.00 -0.33 0.00 0.00 0.00 0.00 51.96 52.72 2f99 s ALA 95 Cb -0.13 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.38 2f99 s ALA 95 CO 0.02 -1.45 1.39 -2.30 0.00 0.00 0.00 175.76 173.42 2f99 n PRO 96 N -2.00 1.81 -0.00 0.00 -0.02 -1.26 -4.84 135.00 128.68 2f99 n PRO 96 Ca 0.14 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 2f99 n PRO 96 Cb 0.50 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 2f99 n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2f99 n THR 97 N 2.20 0.00 -1.14 3.45 -2.24 -1.19 -4.98 114.28 110.38 2f99 n THR 97 Ca 0.14 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 2f99 n THR 97 Cb 0.28 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2f99 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f99 n GLY 98 N 1.39 0.66 3.74 3.38 0.00 0.59 -4.99 105.19 109.96 2f99 n GLY 98 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2f99 n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f99 s ARG 99 N -1.86 4.32 0.55 1.61 1.81 -1.25 -4.67 118.95 119.46 2f99 s ARG 99 Ca 0.00 0.59 -0.21 0.00 -1.72 0.00 0.00 55.73 54.39 2f99 s ARG 99 Cb 0.00 -3.40 -0.05 0.00 -0.45 0.00 0.00 34.95 31.06 2f99 s ARG 99 CO 0.00 0.24 1.29 -0.51 -0.68 0.00 0.00 175.30 175.65 2f99 s LEU 100 N 0.29 3.81 0.13 2.53 1.43 -1.26 -0.85 118.68 124.77 2f99 s LEU 100 Ca 0.29 2.61 -0.17 0.00 -1.03 0.00 0.00 54.13 55.83 2f99 s LEU 100 Cb -0.16 -4.37 0.04 0.00 0.03 0.00 0.00 46.19 41.73 2f99 s LEU 100 CO 0.14 -1.53 0.44 0.72 0.23 0.00 0.00 176.35 176.35 2f99 s PHE 101 N -1.40 -0.26 -0.09 0.29 -0.12 -0.64 -4.67 117.98 111.08 2f99 s PHE 101 Ca 0.73 -0.03 -0.08 0.00 -0.05 0.00 0.00 56.93 57.49 2f99 s PHE 101 Cb -0.36 0.31 0.03 0.00 -0.63 0.00 0.00 43.02 42.37 2f99 s PHE 101 CO 0.42 -0.73 0.24 0.45 -0.05 0.00 0.00 175.22 175.55 2f99 s SER 102 N -2.79 -0.25 -0.14 1.98 0.15 -1.26 -1.72 113.70 109.66 2f99 s SER 102 Ca 0.03 0.49 -0.09 0.00 0.70 0.00 0.00 55.95 57.08 2f99 s SER 102 Cb 0.01 0.48 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2f99 s SER 102 CO -0.12 -0.10 0.35 -0.83 1.20 0.00 0.00 173.24 173.74 2f99 s GLY 103 N 0.33 -0.26 0.67 9.45 0.00 0.02 -4.79 107.32 112.73 2f99 s GLY 103 Ca -0.02 1.28 -0.17 0.00 0.00 0.00 0.00 44.72 45.81 2f99 s GLY 103 CO -0.01 1.41 1.25 -0.54 0.00 0.00 0.00 173.10 175.21 2f99 s GLU 104 N 1.15 2.47 0.03 2.90 2.02 -1.26 -1.20 118.70 124.81 2f99 s GLU 104 Ca -0.08 1.92 0.02 0.00 0.02 0.00 0.00 54.97 56.85 2f99 s GLU 104 Cb -0.08 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 2f99 s GLU 104 CO -0.09 -1.62 -0.06 -0.65 0.02 0.00 0.00 175.26 172.85 2f99 s GLN 105 N -3.55 0.46 -0.12 1.61 -0.21 0.12 -2.24 119.66 115.73 2f99 s GLN 105 Ca 0.79 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 55.53 2f99 s GLN 105 Cb -0.33 -0.20 0.01 0.00 1.00 0.00 0.00 33.01 33.49 2f99 s GLN 105 CO 0.40 0.03 -0.20 0.42 -2.12 0.00 0.00 175.29 173.83 2f99 s ILE 106 N -1.28 1.85 -0.07 1.08 -1.09 -0.94 -1.55 121.20 119.20 2f99 s ILE 106 Ca -0.10 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 2f99 s ILE 106 Cb -0.09 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2f99 s ILE 106 CO 0.00 0.51 -0.17 -1.00 -1.23 0.00 0.00 174.94 173.05 2f99 s HIS 107 N 0.80 2.66 -0.17 3.97 3.76 0.03 -0.76 115.29 125.59 2f99 s HIS 107 Ca -0.09 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 2f99 s HIS 107 Cb -0.16 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.86 2f99 s HIS 107 CO -0.00 -0.02 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.19 2f99 s LEU 108 N -0.29 2.34 -0.07 0.89 1.02 0.82 -0.81 118.68 122.58 2f99 s LEU 108 Ca 0.02 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.66 2f99 s LEU 108 Cb -0.13 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.55 2f99 s LEU 108 CO 0.03 0.04 -0.20 -0.76 0.02 0.00 0.00 176.35 175.48 2f99 s LEU 109 N 1.07 1.94 -0.17 1.79 2.01 0.05 -0.81 118.68 124.57 2f99 s LEU 109 Ca -0.01 -0.44 -0.04 0.00 0.01 0.00 0.00 54.13 53.65 2f99 s LEU 109 Cb -0.14 -1.16 -0.03 0.00 0.01 0.00 0.00 46.19 44.87 2f99 s LEU 109 CO -0.05 0.14 -0.02 -2.28 1.01 0.00 0.00 176.35 175.15 2f99 s HIS 110 N 0.26 3.06 -0.07 0.29 5.65 0.15 -0.91 115.29 123.71 2f99 s HIS 110 Ca -0.12 -0.28 -0.14 0.00 0.25 0.00 0.00 55.06 54.77 2f99 s HIS 110 Cb -0.15 -2.00 -0.05 0.00 -1.18 0.00 0.00 32.58 29.20 2f99 s HIS 110 CO 0.05 -0.05 0.34 -0.06 -0.65 0.00 0.00 174.74 174.38 2f99 s PHE 111 N 0.49 3.63 -0.03 3.88 0.40 0.09 -0.32 117.98 126.11 2f99 s PHE 111 Ca -0.02 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.14 2f99 s PHE 111 Cb -0.14 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.13 2f99 s PHE 111 CO 0.02 0.52 -0.04 0.08 0.70 0.00 0.00 175.22 176.50 2f99 s VAL 112 N -0.55 0.46 -1.59 -0.44 1.01 -0.52 -4.82 120.40 113.95 2f99 s VAL 112 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2f99 s VAL 112 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2f99 s VAL 112 CO 0.09 0.18 0.00 0.47 0.00 0.00 0.00 175.10 175.84 2f99 n ASP 113 N 3.62 -5.12 0.00 3.32 10.43 -1.26 -1.74 116.55 125.80 2f99 n ASP 113 Ca -0.21 0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.27 2f99 n ASP 113 Cb 0.53 -4.34 0.00 0.00 1.84 0.00 0.00 41.12 39.16 2f99 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f99 n GLY 114 N -0.84 0.78 3.34 0.44 0.00 -1.26 -5.03 105.19 102.62 2f99 n GLY 114 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 2f99 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f99 s LYS 115 N -0.09 1.31 -0.17 1.61 1.02 -0.71 -4.96 119.74 117.75 2f99 s LYS 115 Ca 0.00 -1.55 -0.29 0.00 0.02 0.00 0.00 55.97 54.15 2f99 s LYS 115 Cb 0.00 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2f99 s LYS 115 CO 0.00 0.20 1.53 0.42 -0.92 0.00 0.00 175.35 176.58 2f99 s ILE 116 N -2.79 3.82 -0.12 2.17 1.01 0.05 -1.44 121.20 123.91 2f99 s ILE 116 Ca 0.21 0.96 0.08 0.00 0.00 0.00 0.00 60.65 61.90 2f99 s ILE 116 Cb -0.02 -3.73 -0.13 0.00 0.01 0.00 0.00 42.46 38.59 2f99 s ILE 116 CO 0.07 -0.21 0.00 1.57 0.00 0.00 0.00 174.94 176.37 2f99 n HIS 117 N 7.61 0.00 -3.81 3.97 -0.00 0.56 -0.95 115.22 122.61 2f99 n HIS 117 Ca 0.17 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.22 2f99 n HIS 117 Cb 0.45 -0.55 -0.14 0.00 -0.12 0.00 0.00 29.99 29.63 2f99 n HIS 117 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2f99 s HIS 118 N -2.27 -0.12 -0.10 1.57 5.65 -1.04 -2.59 115.29 116.38 2f99 s HIS 118 Ca -0.08 0.32 -0.03 0.00 0.25 0.00 0.00 55.06 55.52 2f99 s HIS 118 Cb 0.04 -0.02 0.04 0.00 -1.18 0.00 0.00 32.58 31.46 2f99 s HIS 118 CO 0.43 -0.09 0.05 -1.58 -0.65 0.00 0.00 174.74 172.91 2f99 s HIS 119 N 0.45 0.35 -0.12 3.88 2.46 -0.69 -0.68 115.29 120.94 2f99 s HIS 119 Ca -0.03 -0.14 0.01 0.00 0.47 0.00 0.00 55.06 55.37 2f99 s HIS 119 Cb -0.05 -0.68 -0.01 0.00 -0.13 0.00 0.00 32.58 31.71 2f99 s HIS 119 CO -0.02 -0.37 -0.16 0.50 -2.47 0.00 0.00 174.74 172.23 2f99 s ARG 120 N 2.08 3.27 -0.00 2.88 3.52 0.01 -4.04 118.95 126.67 2f99 s ARG 120 Ca 0.03 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 2f99 s ARG 120 Cb -0.14 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2f99 s ARG 120 CO -0.06 0.22 -0.09 0.16 -0.81 0.00 0.00 175.30 174.72 2f99 s ASP 121 N 0.31 1.05 -0.44 -2.12 -4.77 -1.26 -0.13 116.67 109.31 2f99 s ASP 121 Ca -0.12 -0.19 0.01 0.00 -3.30 0.00 0.00 52.55 48.95 2f99 s ASP 121 Cb -0.16 -0.11 0.12 0.00 -1.09 0.00 0.00 42.92 41.68 2f99 s ASP 121 CO 0.06 0.09 0.21 0.26 0.70 0.00 0.00 175.17 176.49 2f99 s TRP 122 N -0.28 3.54 0.89 2.11 0.51 0.06 -4.95 118.94 120.83 2f99 s TRP 122 Ca 0.03 -2.80 -0.11 0.00 -2.12 0.00 0.00 56.10 51.10 2f99 s TRP 122 Cb -0.04 -3.06 0.13 0.00 -0.81 0.00 0.00 33.47 29.69 2f99 s TRP 122 CO -0.00 -0.90 1.10 -2.14 -0.51 0.00 0.00 176.95 174.50 2f99 s PRO 123 N 0.60 1.30 -1.24 4.98 0.02 -1.26 -2.21 135.00 137.18 2f99 s PRO 123 Ca 0.12 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.13 2f99 s PRO 123 Cb -0.22 -1.79 0.10 0.00 0.02 0.00 0.00 34.50 32.61 2f99 s PRO 123 CO -0.05 -2.31 1.61 0.34 -0.33 0.00 0.00 177.00 176.26 2f99 s ASP 124 N -3.10 6.86 0.09 2.53 2.15 -0.95 -4.83 116.67 119.43 2f99 s ASP 124 Ca 0.64 -2.49 -0.23 0.00 0.43 0.00 0.00 52.55 50.90 2f99 s ASP 124 Cb -0.20 -2.52 -0.15 0.00 -0.30 0.00 0.00 42.92 39.75 2f99 s ASP 124 CO 0.58 -1.08 1.72 1.88 -0.17 0.00 0.00 175.17 178.09 2f99 h TYR 125 N 7.72 -0.00 -0.41 -5.34 -1.99 -1.91 -0.49 116.97 114.54 2f99 h TYR 125 Ca 0.38 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.04 2f99 h TYR 125 Cb 0.89 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 2f99 h TYR 125 CO 1.32 0.02 -0.02 1.96 -0.00 0.00 0.00 178.16 181.44 2f99 h GLN 126 N -0.02 0.74 -0.81 4.88 4.20 -1.99 0.13 115.11 122.24 2f99 h GLN 126 Ca -0.00 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.47 2f99 h GLN 126 Cb 0.02 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2f99 h GLN 126 CO 0.00 0.83 0.53 0.78 -0.67 0.00 0.00 178.83 180.30 2f99 h GLY 127 N 0.56 1.15 0.83 3.46 0.00 -1.94 -0.27 103.07 106.85 2f99 h GLY 127 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2f99 h GLY 127 CO 0.02 0.43 0.03 -0.84 0.00 0.00 0.00 176.54 176.18 2f99 h THR 128 N 1.10 1.21 -0.60 4.70 2.02 -0.81 -2.20 112.91 118.33 2f99 h THR 128 Ca 0.30 -0.66 0.08 0.00 0.77 0.00 0.00 66.41 66.89 2f99 h THR 128 Cb -0.11 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 2f99 h THR 128 CO -0.06 0.20 0.25 0.22 0.37 0.00 0.00 175.52 176.50 2f99 h TYR 129 N 0.06 0.44 -0.16 3.16 3.20 -0.49 0.21 116.97 123.40 2f99 h TYR 129 Ca 0.05 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2f99 h TYR 129 Cb 0.28 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2f99 h TYR 129 CO 0.01 0.14 -0.05 0.00 -1.64 0.00 0.00 178.16 176.63 2f99 h ARG 130 N 0.45 -0.02 0.00 1.82 3.08 -0.96 -0.26 114.38 118.49 2f99 h ARG 130 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 2f99 h ARG 130 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2f99 h ARG 130 CO -0.27 -0.01 -0.08 1.96 -1.07 0.00 0.00 179.97 180.50 2f99 h GLN 131 N -0.02 0.00 -0.02 0.04 4.20 -0.67 -0.63 115.11 118.01 2f99 h GLN 131 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2f99 h GLN 131 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2f99 h GLN 131 CO -0.17 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.34 2f99 n LEU 132 N -3.38 0.39 0.00 1.46 4.77 -0.02 -4.74 117.00 115.48 2f99 n LEU 132 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2f99 n LEU 132 Cb 0.24 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2f99 n LEU 132 CO 0.28 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2f99 n GLY 133 N 0.99 0.43 3.75 -0.72 0.00 -0.24 -4.31 105.19 105.09 2f99 n GLY 133 Ca 0.20 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 2f99 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f99 n GLU 134 N -2.67 -1.01 -2.26 1.61 1.02 -0.15 -4.90 120.64 112.27 2f99 n GLU 134 Ca 0.00 0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 57.23 2f99 n GLU 134 Cb 0.06 -3.64 -0.01 0.00 -0.02 0.00 0.00 31.44 27.84 2f99 n GLU 134 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2f99 s PRO 135 N -6.06 3.65 0.04 3.49 0.04 -1.26 -5.01 135.00 129.89 2f99 s PRO 135 Ca 0.41 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2f99 s PRO 135 Cb -0.17 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 2f99 s PRO 135 CO 0.89 -0.63 0.89 -1.58 0.04 0.00 0.00 177.00 176.60 2f99 s TRP 136 N -1.61 3.72 0.45 0.56 0.52 -1.26 -5.03 118.94 116.29 2f99 s TRP 136 Ca 0.66 1.63 -0.25 0.00 0.02 0.00 0.00 56.10 58.16 2f99 s TRP 136 Cb -0.27 -2.99 -0.08 0.00 -1.15 0.00 0.00 33.47 28.98 2f99 s TRP 136 CO 0.32 0.15 1.44 -2.14 0.02 0.00 0.00 176.95 176.74 2f99 s PRO 137 N 0.37 3.69 0.09 4.98 0.02 -1.26 -4.73 135.00 138.15 2f99 s PRO 137 Ca 0.45 2.45 0.23 0.00 0.02 0.00 0.00 61.00 64.15 2f99 s PRO 137 Cb -0.21 -2.67 0.08 0.00 0.02 0.00 0.00 34.50 31.71 2f99 s PRO 137 CO 0.26 -0.82 1.05 -0.85 -0.33 0.00 0.00 177.00 176.32 2f99 n GLU 138 N -0.17 0.37 -3.50 5.54 0.28 0.41 -4.97 120.64 118.60 2f99 n GLU 138 Ca 0.05 0.02 -0.16 0.00 -0.16 0.00 0.00 57.16 56.91 2f99 n GLU 138 Cb 0.41 -1.65 -0.05 0.00 1.43 0.00 0.00 31.44 31.59 2f99 n GLU 138 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2f99 s THR 139 N -3.24 0.00 -2.00 3.84 -1.32 -1.16 -5.01 115.64 106.76 2f99 s THR 139 Ca 0.03 -0.02 0.27 0.00 -1.21 0.00 0.00 61.69 60.76 2f99 s THR 139 Cb 0.13 -0.99 0.37 0.00 -1.51 0.00 0.00 72.50 70.50 2f99 s THR 139 CO 0.79 -0.01 1.64 -1.84 -2.21 0.00 0.00 174.62 172.99 2f99 n GLU 140 N 0.56 1.10 -1.81 7.08 0.28 -1.26 -4.33 120.64 122.26 2f99 n GLU 140 Ca -0.18 -0.64 -0.12 0.00 -0.16 0.00 0.00 57.16 56.05 2f99 n GLU 140 Cb 0.59 -1.49 0.06 0.00 1.43 0.00 0.00 31.44 32.03 2f99 n GLU 140 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2f99 n HIS 141 N -0.39 -2.99 0.02 -1.84 8.25 -1.26 -4.91 115.22 112.10 2f99 n HIS 141 Ca 0.15 -1.04 -0.11 0.00 -0.26 0.00 0.00 57.72 56.45 2f99 n HIS 141 Cb 0.35 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 31.09 2f99 n HIS 141 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2f99 h ARG 142 N 0.00 0.54 0.00 -0.41 -0.00 -1.96 -3.32 114.38 109.23 2f99 h ARG 142 Ca -0.18 -0.40 0.00 0.00 -0.00 0.00 0.00 59.98 59.40 2f99 h ARG 142 Cb 0.69 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.73 2f99 h ARG 142 CO 0.20 1.03 0.00 -2.13 -0.00 0.00 0.00 179.97 179.07