#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 7.13 0.18 6.15 0.15 -1.26 -4.93 113.70 121.12 2f99 s SER 2 Ca 0.00 1.39 -0.10 0.00 0.70 0.00 0.00 55.95 57.94 2f99 s SER 2 Cb 0.00 -2.51 0.08 0.00 -1.71 0.00 0.00 66.02 61.88 2f99 s SER 2 CO 0.00 -0.41 1.70 -0.08 1.20 0.00 0.00 173.24 175.65 2f99 h GLU 3 N 7.15 1.00 -0.20 5.44 4.22 -2.01 -1.92 114.58 128.26 2f99 h GLU 3 Ca -0.31 -0.23 0.01 0.00 0.08 0.00 0.00 59.36 58.91 2f99 h GLU 3 Cb 1.14 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2f99 h GLU 3 CO 0.84 0.90 0.09 1.96 -2.18 0.00 0.00 179.01 180.62 2f99 h GLN 4 N 0.92 0.19 -0.42 1.92 4.20 -1.93 -0.98 115.11 119.01 2f99 h GLN 4 Ca 0.20 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 2f99 h GLN 4 Cb 0.34 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2f99 h GLN 4 CO -0.00 0.13 -0.11 0.82 -0.67 0.00 0.00 178.83 178.99 2f99 h ILE 5 N 0.20 1.27 -0.84 2.54 2.04 -1.97 -1.87 117.51 118.88 2f99 h ILE 5 Ca 0.08 -1.22 0.10 0.00 1.00 0.00 0.00 64.86 64.82 2f99 h ILE 5 Cb 0.03 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2f99 h ILE 5 CO -0.07 0.41 0.48 0.00 0.00 0.00 0.00 178.15 178.98 2f99 h ALA 6 N 0.85 1.20 -0.49 1.87 0.00 -1.18 0.11 119.26 121.63 2f99 h ALA 6 Ca 0.11 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2f99 h ALA 6 Cb 0.65 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2f99 h ALA 6 CO 0.04 0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.48 2f99 h ALA 7 N 1.46 0.65 -0.90 0.00 0.00 -0.98 -1.57 119.26 117.92 2f99 h ALA 7 Ca 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2f99 h ALA 7 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2f99 h ALA 7 CO -0.25 0.38 0.48 0.28 0.00 0.00 0.00 179.25 180.14 2f99 h VAL 8 N 0.68 1.26 -0.21 0.00 2.07 -0.63 -0.89 116.25 118.53 2f99 h VAL 8 Ca 0.15 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2f99 h VAL 8 Cb 0.40 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2f99 h VAL 8 CO 0.01 0.30 -0.08 0.03 0.02 0.00 0.00 177.57 177.85 2f99 h ARG 9 N 1.26 0.33 -0.34 1.57 3.08 -0.54 -0.68 114.38 119.06 2f99 h ARG 9 Ca 0.31 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 2f99 h ARG 9 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2f99 h ARG 9 CO -0.05 0.42 -0.08 0.00 -1.07 0.00 0.00 179.97 179.19 2f99 h ARG 10 N 0.31 0.65 -0.41 0.04 3.08 -0.59 -1.59 114.38 115.87 2f99 h ARG 10 Ca 0.07 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 59.95 2f99 h ARG 10 Cb 0.34 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 2f99 h ARG 10 CO 0.02 0.82 -0.02 1.98 -1.07 0.00 0.00 179.97 181.69 2f99 h MET 11 N 0.43 0.08 -0.69 0.04 4.05 -0.74 -0.73 114.93 117.37 2f99 h MET 11 Ca 0.09 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2f99 h MET 11 Cb 0.58 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 2f99 h MET 11 CO 0.03 0.05 0.44 0.28 0.23 0.00 0.00 176.91 177.95 2f99 h VAL 12 N 0.08 1.18 -0.46 -5.77 2.07 -1.03 -2.21 116.25 110.11 2f99 h VAL 12 Ca 0.20 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2f99 h VAL 12 Cb 0.29 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2f99 h VAL 12 CO -0.36 0.18 0.25 -0.08 0.02 0.00 0.00 177.57 177.59 2f99 h GLU 13 N 0.93 0.63 -0.67 1.57 4.57 -0.68 -2.14 114.58 118.79 2f99 h GLU 13 Ca 0.25 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 2f99 h GLU 13 Cb -0.08 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 2f99 h GLU 13 CO -0.05 0.47 0.40 0.00 -1.18 0.00 0.00 179.01 178.65 2f99 h ALA 14 N 1.64 0.88 -0.74 2.92 0.00 -0.52 0.19 119.26 123.63 2f99 h ALA 14 Ca 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2f99 h ALA 14 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2f99 h ALA 14 CO -0.03 0.12 0.33 1.88 0.00 0.00 0.00 179.25 181.55 2f99 h TYR 15 N 0.76 1.08 0.02 0.00 -1.99 -1.22 0.39 116.97 116.01 2f99 h TYR 15 Ca 0.28 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.95 2f99 h TYR 15 Cb 0.09 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.49 2f99 h TYR 15 CO -0.06 0.81 -0.01 -0.91 -0.00 0.00 0.00 178.16 177.99 2f99 h ASN 16 N 1.06 -0.02 0.91 3.88 2.35 -0.91 -3.33 115.58 119.53 2f99 h ASN 16 Ca 0.25 -0.48 -0.22 0.00 -0.55 0.00 0.00 56.30 55.30 2f99 h ASN 16 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2f99 h ASN 16 CO -0.03 0.47 -1.12 0.71 -1.65 0.00 0.00 177.43 175.82 2f99 h THR 17 N -0.51 1.58 0.00 2.81 1.35 -0.65 -3.47 112.91 114.02 2f99 h THR 17 Ca -0.00 -3.31 0.00 0.00 -0.55 0.00 0.00 66.41 62.55 2f99 h THR 17 Cb 0.49 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2f99 h THR 17 CO 0.00 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 2f99 n GLY 18 N 1.39 1.80 3.62 5.82 0.00 0.14 -5.01 105.19 112.94 2f99 n GLY 18 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.14 3.93 -0.08 1.61 1.02 -1.24 -4.90 119.74 119.94 2f99 s LYS 19 Ca 0.00 0.73 0.12 0.00 0.02 0.00 0.00 55.97 56.84 2f99 s LYS 19 Cb 0.00 -3.77 0.19 0.00 -0.52 0.00 0.00 37.83 33.73 2f99 s LYS 19 CO 0.00 -0.88 1.08 0.25 -0.92 0.00 0.00 175.35 174.88 2f99 n THR 20 N 5.86 1.42 0.18 2.17 -2.24 -1.26 -4.66 114.28 115.75 2f99 n THR 20 Ca 0.08 -1.66 0.05 0.00 -2.27 0.00 0.00 64.05 60.24 2f99 n THR 20 Cb 0.48 0.04 0.48 0.00 -2.10 0.00 0.00 70.33 69.22 2f99 n THR 20 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2f99 h ASP 21 N 0.00 0.09 -0.56 3.42 3.45 -2.01 -3.09 116.42 117.74 2f99 h ASP 21 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 2f99 h ASP 21 Cb 0.95 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 2f99 h ASP 21 CO 0.00 0.23 0.00 -0.90 -1.57 0.00 0.00 179.24 177.00 2f99 n ASP 22 N -4.34 3.65 0.26 6.45 5.75 -1.26 -4.66 116.55 122.40 2f99 n ASP 22 Ca -0.02 -1.98 0.13 0.00 -0.01 0.00 0.00 54.79 52.91 2f99 n ASP 22 Cb 0.23 -0.37 0.79 0.00 -1.03 0.00 0.00 41.12 40.73 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 4.11 0.72 -0.28 2.12 -1.51 -1.89 -0.53 116.25 118.99 2f99 h VAL 23 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.55 2f99 h VAL 23 Cb 0.96 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2f99 h VAL 23 CO 0.00 0.00 0.38 0.00 -1.23 0.00 0.00 177.57 176.72 2f99 h ALA 24 N 1.96 1.89 -0.67 5.19 0.00 -1.83 0.25 119.26 126.06 2f99 h ALA 24 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2f99 h ALA 24 Cb 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2f99 h ALA 24 CO -0.00 -0.53 0.44 -0.44 0.00 0.00 0.00 179.25 178.72 2f99 h ASP 25 N 0.00 0.66 0.00 0.00 3.45 -1.47 -3.35 116.42 115.71 2f99 h ASP 25 Ca 0.13 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 2f99 h ASP 25 Cb 0.89 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 2f99 h ASP 25 CO -0.00 0.44 -0.04 0.00 -1.57 0.00 0.00 179.24 178.07 2f99 n TYR 26 N -4.47 0.00 -3.39 4.55 0.18 -0.43 -4.95 117.16 108.65 2f99 n TYR 26 Ca 0.09 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.47 2f99 n TYR 26 Cb 0.16 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.03 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 -0.53 5.17 0.43 -3.48 -1.09 0.75 -0.21 121.20 122.24 2f99 s ILE 27 Ca 0.00 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 2f99 s ILE 27 Cb 0.00 -3.74 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 2f99 s ILE 27 CO 0.00 0.07 1.44 -2.28 -1.23 0.00 0.00 174.94 172.93 2f99 s HIS 28 N 2.07 2.49 0.54 3.97 2.46 -0.56 -4.48 115.29 121.78 2f99 s HIS 28 Ca 0.14 1.24 0.27 0.00 0.47 0.00 0.00 55.06 57.19 2f99 s HIS 28 Cb -0.16 -3.94 1.44 0.00 -0.13 0.00 0.00 32.58 29.79 2f99 s HIS 28 CO 0.11 -2.94 1.96 -1.35 -2.47 0.00 0.00 174.74 170.05 2f99 h PRO 29 N 2.48 0.00 -0.71 2.88 0.11 -1.92 -0.23 132.00 134.60 2f99 h PRO 29 Ca -0.51 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 2f99 h PRO 29 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 2f99 h PRO 29 CO 0.62 0.00 0.20 0.39 -0.21 0.00 0.00 178.00 179.00 2f99 n GLU 30 N -4.25 4.08 -1.68 1.05 -0.58 -1.26 -3.17 120.64 114.83 2f99 n GLU 30 Ca 0.11 -3.10 -0.45 0.00 -0.42 0.00 0.00 57.16 53.31 2f99 n GLU 30 Cb 0.69 -2.24 -0.04 0.00 -0.57 0.00 0.00 31.44 29.28 2f99 n GLU 30 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2f99 n TYR 31 N 0.08 2.41 -4.21 -0.32 9.36 -0.10 -4.67 117.16 119.71 2f99 n TYR 31 Ca 0.38 0.16 -0.20 0.00 3.32 0.00 0.00 57.90 61.56 2f99 n TYR 31 Cb 1.35 -2.60 -0.12 0.00 -0.63 0.00 0.00 39.34 37.34 2f99 n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2f99 s MET 32 N 1.38 0.92 -0.23 2.98 0.23 -0.65 -0.93 119.30 123.01 2f99 s MET 32 Ca 0.79 -1.03 -0.04 0.00 -1.03 0.00 0.00 55.69 54.39 2f99 s MET 32 Cb -0.63 -1.02 0.09 0.00 -1.53 0.00 0.00 34.83 31.74 2f99 s MET 32 CO 0.38 0.23 0.15 1.21 -2.03 0.00 0.00 175.02 174.96 2f99 s ASN 33 N -1.80 2.48 0.63 -1.18 3.84 -1.26 -1.07 114.94 116.57 2f99 s ASN 33 Ca 0.01 -0.78 0.36 0.00 0.21 0.00 0.00 52.86 52.66 2f99 s ASN 33 Cb -0.10 -0.07 2.04 0.00 -0.55 0.00 0.00 41.25 42.57 2f99 s ASN 33 CO 0.03 -0.38 2.27 1.55 -2.79 0.00 0.00 177.10 177.78 2f99 h PRO 34 N 8.38 0.00 0.00 0.43 0.13 -2.01 -1.50 132.00 137.43 2f99 h PRO 34 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2f99 h PRO 34 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2f99 h PRO 34 CO 0.34 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.89 2f99 h GLY 35 N 0.00 0.00 0.82 1.56 0.00 -1.93 -2.80 103.07 100.72 2f99 h GLY 35 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2f99 h GLY 35 CO -0.00 0.00 -0.34 -1.30 0.00 0.00 0.00 176.54 174.90 2f99 n THR 36 N -2.85 0.00 -0.20 4.70 -2.24 -0.56 -4.50 114.28 108.64 2f99 n THR 36 Ca 0.00 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2f99 n THR 36 Cb 0.24 0.20 0.40 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.45 0.59 -2.10 3.22 3.38 -1.63 0.07 115.31 119.28 2f99 h LEU 37 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2f99 h LEU 37 Cb 0.49 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2f99 h LEU 37 CO 0.00 0.34 -0.06 -0.08 0.09 0.00 0.00 178.44 178.73 2f99 h GLU 38 N 0.65 0.00 0.00 1.13 4.81 -1.84 -3.29 114.58 116.04 2f99 h GLU 38 Ca 0.36 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.42 2f99 h GLU 38 Cb 0.53 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2f99 h GLU 38 CO -0.13 0.06 -1.98 1.19 -0.73 0.00 0.00 179.01 177.41 2f99 n PHE 39 N -3.38 0.00 -3.52 0.92 3.01 -0.01 -5.06 117.46 109.41 2f99 n PHE 39 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.35 2f99 n PHE 39 Cb 0.21 -0.63 -0.03 0.00 -0.01 0.00 0.00 39.48 39.02 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 -2.75 0.00 -1.75 4.37 -1.32 -1.07 -5.03 115.64 108.08 2f99 s THR 40 Ca -0.07 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.56 2f99 s THR 40 Cb 0.08 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.26 2f99 s THR 40 CO 0.69 0.00 1.08 -1.54 -2.21 0.00 0.00 174.62 172.64 2f99 n SER 41 N 0.03 2.54 -4.69 8.08 3.41 -1.26 -4.45 113.62 117.28 2f99 n SER 41 Ca -0.09 -1.73 -0.34 0.00 -0.26 0.00 0.00 58.87 56.45 2f99 n SER 41 Cb 0.61 -0.08 0.12 0.00 -0.26 0.00 0.00 64.21 64.60 2f99 n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2f99 n LEU 42 N 0.87 4.43 -4.33 1.04 4.77 -1.26 -5.06 117.00 117.46 2f99 n LEU 42 Ca 0.11 0.60 -0.17 0.00 -0.03 0.00 0.00 56.01 56.52 2f99 n LEU 42 Cb 0.41 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 2f99 n LEU 42 CO 0.10 -1.69 -0.27 -0.13 -1.33 0.00 0.00 177.39 174.07 2f99 s ARG 43 N -4.01 1.40 2.76 3.23 1.81 -1.26 -4.74 118.95 118.15 2f99 s ARG 43 Ca 0.74 -1.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2f99 s ARG 43 Cb -0.30 -0.37 0.00 0.00 -0.45 0.00 0.00 34.95 33.84 2f99 s ARG 43 CO 0.50 -0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 2f99 n GLY 44 N -0.47 0.02 0.41 -3.53 0.00 -0.10 -3.30 105.19 98.22 2f99 n GLY 44 Ca -0.01 -0.99 0.21 0.00 0.00 0.00 0.00 46.02 45.23 2f99 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f99 h PRO 45 N 0.00 0.34 -0.11 1.61 0.11 -1.79 0.30 132.00 132.47 2f99 h PRO 45 Ca 0.00 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2f99 h PRO 45 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2f99 h PRO 45 CO 0.00 0.22 -0.43 0.93 -0.21 0.00 0.00 178.00 178.52 2f99 h GLU 46 N 0.35 0.24 -0.18 1.05 5.08 -1.96 -1.13 114.58 118.03 2f99 h GLU 46 Ca 0.48 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.68 2f99 h GLU 46 Cb 1.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2f99 h GLU 46 CO -0.17 0.63 -0.08 1.25 -1.00 0.00 0.00 179.01 179.64 2f99 h LEU 47 N 0.20 0.38 -0.69 1.33 5.85 -0.94 -1.75 115.31 119.68 2f99 h LEU 47 Ca 0.02 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2f99 h LEU 47 Cb 0.84 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2f99 h LEU 47 CO 0.07 0.70 0.34 0.15 -0.34 0.00 0.00 178.44 179.36 2f99 h PHE 48 N 0.06 0.99 -0.98 1.25 3.57 -1.33 -2.43 116.94 118.06 2f99 h PHE 48 Ca 0.04 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2f99 h PHE 48 Cb 0.55 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2f99 h PHE 48 CO 0.06 0.73 0.65 0.00 -2.23 0.00 0.00 178.31 177.52 2f99 h ALA 49 N 1.17 1.31 -0.14 2.41 0.00 -1.15 -2.04 119.26 120.81 2f99 h ALA 49 Ca 0.24 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2f99 h ALA 49 Cb 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2f99 h ALA 49 CO -0.03 0.63 -0.46 0.97 0.00 0.00 0.00 179.25 180.36 2f99 h ILE 50 N 1.31 1.32 -0.09 0.00 2.10 -1.05 -1.60 117.51 119.51 2f99 h ILE 50 Ca 0.36 -1.65 -0.00 0.00 1.08 0.00 0.00 64.86 64.65 2f99 h ILE 50 Cb -0.12 1.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2f99 h ILE 50 CO -0.09 0.50 0.05 -1.13 -1.08 0.00 0.00 178.15 176.40 2f99 h ASN 51 N 0.29 0.11 -0.53 2.19 -1.24 -1.07 -0.66 115.58 114.66 2f99 h ASN 51 Ca 0.02 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 56.95 2f99 h ASN 51 Cb 0.92 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.92 2f99 h ASN 51 CO 0.08 0.16 0.35 0.58 -1.29 0.00 0.00 177.43 177.31 2f99 h VAL 52 N 0.05 1.13 -0.78 2.57 2.07 -1.23 -1.46 116.25 118.60 2f99 h VAL 52 Ca 0.03 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2f99 h VAL 52 Cb 0.08 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2f99 h VAL 52 CO -0.00 0.13 0.35 0.00 0.02 0.00 0.00 177.57 178.06 2f99 h ALA 53 N 1.20 1.01 -0.84 1.67 0.00 -1.20 -2.28 119.26 118.81 2f99 h ALA 53 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2f99 h ALA 53 Cb -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 2f99 h ALA 53 CO -0.05 0.60 0.48 2.35 0.00 0.00 0.00 179.25 182.63 2f99 h TRP 54 N 1.11 1.13 -0.12 0.00 7.01 -0.70 -1.23 115.95 123.15 2f99 h TRP 54 Ca 0.26 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2f99 h TRP 54 Cb 0.16 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 2f99 h TRP 54 CO 0.01 0.77 0.06 0.28 -2.79 0.00 0.00 178.44 176.78 2f99 h VAL 55 N 1.16 1.09 -0.73 2.65 2.07 -0.91 0.65 116.25 122.24 2f99 h VAL 55 Ca 0.30 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2f99 h VAL 55 Cb -0.00 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2f99 h VAL 55 CO -0.05 0.08 0.32 0.11 0.02 0.00 0.00 177.57 178.05 2f99 h LYS 56 N 0.09 1.06 -0.20 1.57 6.56 -1.31 0.75 116.57 125.08 2f99 h LYS 56 Ca 0.04 -0.17 -0.08 0.00 -1.06 0.00 0.00 60.65 59.39 2f99 h LYS 56 Cb 0.08 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2f99 h LYS 56 CO -0.01 0.84 -0.18 -0.22 -2.06 0.00 0.00 179.45 177.82 2f99 h LYS 57 N 1.05 0.48 0.20 3.15 3.64 -0.99 -1.91 116.57 122.19 2f99 h LYS 57 Ca 0.25 -0.25 -0.35 0.00 -1.27 0.00 0.00 60.65 59.04 2f99 h LYS 57 Cb 0.16 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2f99 h LYS 57 CO -0.03 0.82 -1.67 1.15 -2.27 0.00 0.00 179.45 177.45 2f99 h THR 58 N 0.15 1.03 -0.30 1.00 2.02 -0.79 -3.27 112.91 112.75 2f99 h THR 58 Ca 0.03 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.63 2f99 h THR 58 Cb 0.72 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 2f99 h THR 58 CO 0.05 0.85 0.00 0.49 0.37 0.00 0.00 175.52 177.27 2f99 n PHE 59 N -3.61 0.71 0.00 3.16 3.72 0.25 -0.60 117.46 121.09 2f99 n PHE 59 Ca -0.22 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.49 2f99 n PHE 59 Cb 1.08 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.01 0.00 0.29 4.37 3.41 -0.74 -1.92 113.62 119.04 2f99 n SER 60 Ca 0.16 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 2f99 n SER 60 Cb 0.66 0.40 0.84 0.00 -0.26 0.00 0.00 64.21 65.85 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 -0.14 4.33 4.39 -1.84 -2.13 114.58 119.20 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 0.01 0.00 0.39 -1.16 0.00 0.00 179.01 178.25 2f99 n GLU 62 N -4.01 1.60 -1.66 2.33 4.71 -1.26 -4.91 120.64 117.43 2f99 n GLU 62 Ca -0.03 -0.90 -0.46 0.00 -0.01 0.00 0.00 57.16 55.76 2f99 n GLU 62 Cb 0.09 -1.37 -0.03 0.00 -1.01 0.00 0.00 31.44 29.12 2f99 n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f99 n ALA 63 N 0.13 0.98 -2.37 0.62 0.00 -0.80 -4.89 120.51 114.18 2f99 n ALA 63 Ca 0.16 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.71 2f99 n ALA 63 Cb 0.28 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 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 -0.01 2.10 -0.33 0.00 1.81 0.33 -4.60 118.95 118.24 2f99 s ARG 64 Ca 0.72 -0.94 -0.03 0.00 -1.72 0.00 0.00 55.73 53.76 2f99 s ARG 64 Cb -0.68 -2.11 0.06 0.00 -0.45 0.00 0.00 34.95 31.77 2f99 s ARG 64 CO 0.46 0.56 0.06 -0.51 -0.68 0.00 0.00 175.30 175.19 2f99 s LEU 65 N -0.91 4.23 0.08 2.53 1.43 -1.26 -0.57 118.68 124.21 2f99 s LEU 65 Ca 0.11 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 51.74 2f99 s LEU 65 Cb -0.10 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 2f99 s LEU 65 CO 0.01 -0.32 0.43 -1.61 0.23 0.00 0.00 176.35 175.08 2f99 s GLU 66 N 1.28 3.82 -0.19 1.70 0.41 0.15 -4.88 118.70 120.98 2f99 s GLU 66 Ca -0.02 0.26 -0.15 0.00 -0.41 0.00 0.00 54.97 54.65 2f99 s GLU 66 Cb -0.20 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 2f99 s GLU 66 CO -0.01 0.56 0.34 -2.00 -0.49 0.00 0.00 175.26 173.67 2f99 s GLU 67 N -1.80 4.19 -0.23 1.61 2.12 -1.26 -0.31 118.70 123.02 2f99 s GLU 67 Ca 0.33 0.12 -0.14 0.00 0.36 0.00 0.00 54.97 55.64 2f99 s GLU 67 Cb -0.14 -3.50 -0.17 0.00 0.26 0.00 0.00 34.13 30.57 2f99 s GLU 67 CO 0.18 0.06 -0.02 0.28 -0.54 0.00 0.00 175.26 175.21 2f99 n VAL 68 N 4.08 1.56 -3.57 3.70 0.31 0.52 -4.98 118.33 119.96 2f99 n VAL 68 Ca -0.10 -0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 2f99 n VAL 68 Cb 0.51 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 2f99 n VAL 68 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2f99 s GLY 69 N -5.39 -0.30 -0.04 2.92 0.00 -0.98 -5.02 107.32 98.51 2f99 s GLY 69 Ca -0.32 1.90 0.01 0.00 0.00 0.00 0.00 44.72 46.31 2f99 s GLY 69 CO 0.58 0.96 -0.04 -0.42 0.00 0.00 0.00 173.10 174.18 2f99 s ILE 70 N -1.30 0.51 0.26 0.90 1.01 -1.26 -0.25 121.20 121.06 2f99 s ILE 70 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2f99 s ILE 70 Cb -0.00 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.87 2f99 s ILE 70 CO 0.01 0.22 -0.06 -1.83 0.00 0.00 0.00 174.94 173.28 2f99 s GLU 71 N 0.95 1.49 0.05 2.79 1.03 -0.48 -5.00 118.70 119.52 2f99 s GLU 71 Ca -0.11 -1.74 0.01 0.00 0.03 0.00 0.00 54.97 53.16 2f99 s GLU 71 Cb -0.14 -1.05 -0.03 0.00 -0.80 0.00 0.00 34.13 32.11 2f99 s GLU 71 CO -0.00 0.03 -0.06 -1.83 -1.33 0.00 0.00 175.26 172.07 2f99 s GLU 72 N -3.75 0.52 -0.19 -4.83 -1.05 -1.26 -0.81 118.70 107.33 2f99 s GLU 72 Ca 0.28 -0.85 -0.04 0.00 -0.15 0.00 0.00 54.97 54.21 2f99 s GLU 72 Cb 0.04 -0.11 0.10 0.00 -0.44 0.00 0.00 34.13 33.71 2f99 s GLU 72 CO 0.11 -0.00 0.29 0.50 0.95 0.00 0.00 175.26 177.10 2f99 s ARG 73 N -2.12 0.23 4.68 -4.83 3.52 -0.07 -5.00 118.95 115.36 2f99 s ARG 73 Ca -0.07 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 2f99 s ARG 73 Cb -0.06 -0.56 0.00 0.00 -1.56 0.00 0.00 34.95 32.77 2f99 s ARG 73 CO -0.02 -0.52 0.00 0.00 -0.81 0.00 0.00 175.30 173.95 2f99 n ALA 74 N 5.35 0.00 0.56 6.12 0.00 -1.26 -1.31 120.51 129.96 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 0.16 0.00 0.00 0.00 0.00 19.45 20.10 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 4.79 2.41 -4.40 0.00 8.00 -1.26 -4.88 116.55 121.22 2f99 n ASP 75 Ca 0.00 -2.22 -0.30 0.00 0.71 0.00 0.00 54.79 52.98 2f99 n ASP 75 Cb 0.00 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 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 -1.67 2.43 -0.04 1.24 0.52 -0.43 -0.47 118.94 120.52 2f99 s TRP 76 Ca 0.22 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.04 2f99 s TRP 76 Cb 0.15 -1.41 -0.00 0.00 -1.15 0.00 0.00 33.47 31.05 2f99 s TRP 76 CO 0.10 0.20 -0.15 0.08 0.02 0.00 0.00 176.95 177.20 2f99 s VAL 77 N -0.88 1.28 -0.20 4.03 1.01 -0.17 -0.89 120.40 124.58 2f99 s VAL 77 Ca 0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2f99 s VAL 77 Cb -0.10 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2f99 s VAL 77 CO 0.04 0.37 -0.09 -0.60 0.00 0.00 0.00 175.10 174.82 2f99 s ARG 78 N 0.06 3.27 -0.16 2.72 3.52 0.01 -0.82 118.95 127.55 2f99 s ARG 78 Ca -0.03 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 2f99 s ARG 78 Cb -0.11 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2f99 s ARG 78 CO 0.02 -0.17 -0.06 0.00 -0.81 0.00 0.00 175.30 174.27 2f99 s ALA 79 N 1.34 2.87 -0.39 6.12 0.00 0.01 -1.39 121.76 130.32 2f99 s ALA 79 Ca 0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 2f99 s ALA 79 Cb -0.14 -1.49 0.04 0.00 0.00 0.00 0.00 23.12 21.53 2f99 s ALA 79 CO -0.05 0.12 0.24 1.03 0.00 0.00 0.00 175.76 177.10 2f99 s ARG 80 N 0.53 2.82 0.32 0.00 0.52 0.65 -0.76 118.95 123.03 2f99 s ARG 80 Ca -0.05 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.08 2f99 s ARG 80 Cb -0.15 -3.80 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 2f99 s ARG 80 CO 0.03 -0.77 -0.02 -0.51 0.02 0.00 0.00 175.30 174.05 2f99 s LEU 81 N 1.56 2.49 -0.06 2.53 1.43 -0.76 -0.35 118.68 125.51 2f99 s LEU 81 Ca 0.03 -1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 2f99 s LEU 81 Cb -0.20 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.40 2f99 s LEU 81 CO 0.07 -0.42 -0.02 -0.69 0.23 0.00 0.00 176.35 175.52 2f99 s VAL 82 N -3.00 0.44 -0.14 -1.59 1.01 0.58 -0.26 120.40 117.44 2f99 s VAL 82 Ca 0.33 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 2f99 s VAL 82 Cb 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2f99 s VAL 82 CO 0.14 0.25 0.56 -0.22 0.00 0.00 0.00 175.10 175.83 2f99 s LEU 83 N 1.62 4.23 -0.10 3.92 2.96 -0.17 -0.68 118.68 130.46 2f99 s LEU 83 Ca -0.00 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 2f99 s LEU 83 Cb -0.13 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 2f99 s LEU 83 CO -0.04 -0.11 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.38 2f99 s TYR 84 N 1.13 2.65 0.16 5.38 2.02 0.26 -0.70 117.35 128.25 2f99 s TYR 84 Ca 0.28 -0.72 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 2f99 s TYR 84 Cb -0.16 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2f99 s TYR 84 CO 0.12 -0.23 0.36 0.41 -1.57 0.00 0.00 175.55 174.64 2f99 n GLY 85 N 3.26 1.48 2.93 0.71 0.00 -0.72 -0.52 105.19 112.33 2f99 n GLY 85 Ca -0.18 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.04 0.67 -0.76 1.61 3.52 -0.81 -1.63 118.95 119.52 2f99 s ARG 86 Ca 0.07 -0.16 -0.26 0.00 -0.13 0.00 0.00 55.73 55.25 2f99 s ARG 86 Cb -0.02 -0.67 0.02 0.00 -1.56 0.00 0.00 34.95 32.72 2f99 s ARG 86 CO 0.05 0.02 1.39 -1.58 -0.81 0.00 0.00 175.30 174.37 2f99 s HIS 87 N 0.42 2.22 -0.13 5.12 5.65 0.15 -3.38 115.29 125.33 2f99 s HIS 87 Ca -0.05 -0.03 0.02 0.00 0.25 0.00 0.00 55.06 55.24 2f99 s HIS 87 Cb -0.09 -4.56 -0.01 0.00 -1.18 0.00 0.00 32.58 26.75 2f99 s HIS 87 CO -0.00 -2.08 0.24 1.33 -0.65 0.00 0.00 174.74 173.58 2f99 n VAL 88 N 6.59 0.00 -4.39 0.89 0.24 0.23 -0.54 118.33 121.35 2f99 n VAL 88 Ca 0.10 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.34 61.71 2f99 n VAL 88 Cb 0.50 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.81 1.59 0.12 7.63 0.00 -0.73 -4.79 107.32 110.33 2f99 s GLY 89 Ca 0.01 -1.68 -0.35 0.00 0.00 0.00 0.00 44.72 42.70 2f99 s GLY 89 CO 0.05 -1.76 1.47 -2.21 0.00 0.00 0.00 173.10 170.65 2f99 n GLU 90 N -0.22 1.67 -3.95 2.90 4.07 -1.26 -4.26 120.64 119.59 2f99 n GLU 90 Ca -0.09 0.60 -0.31 0.00 -0.06 0.00 0.00 57.16 57.31 2f99 n GLU 90 Cb 0.59 -2.31 -0.15 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 0.73 1.51 -1.32 5.31 -2.45 -0.51 -4.83 119.30 117.75 2f99 s MET 91 Ca 0.82 -1.35 -0.11 0.00 -1.25 0.00 0.00 55.69 53.80 2f99 s MET 91 Cb -0.81 -2.73 0.01 0.00 1.25 0.00 0.00 34.83 32.55 2f99 s MET 91 CO 0.42 -0.77 0.20 1.33 1.05 0.00 0.00 175.02 177.25 2f99 n VAL 92 N 4.53 -1.39 -0.73 10.11 0.24 -1.26 -1.16 118.33 128.68 2f99 n VAL 92 Ca -0.05 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2f99 n VAL 92 Cb 0.43 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 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 -2.31 0.85 3.64 7.63 0.00 -1.26 -4.44 105.19 109.30 2f99 n GLY 93 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.27 4.05 0.60 1.61 -1.94 -0.30 -0.59 119.30 122.46 2f99 s MET 94 Ca 0.00 -0.20 -0.20 0.00 -1.71 0.00 0.00 55.69 53.58 2f99 s MET 94 Cb 0.00 -3.58 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2f99 s MET 94 CO 0.00 -0.04 1.33 0.00 -0.01 0.00 0.00 175.02 176.31 2f99 n ALA 95 N 4.58 1.39 -1.58 3.03 0.00 -1.26 -1.42 120.51 125.24 2f99 n ALA 95 Ca -0.13 0.06 -0.54 0.00 0.00 0.00 0.00 53.44 52.83 2f99 n ALA 95 Cb 0.52 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 2f99 n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2f99 n PRO 96 N -1.49 0.94 0.00 0.00 -0.02 -1.26 -4.83 135.00 128.35 2f99 n PRO 96 Ca 0.13 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 2f99 n PRO 96 Cb 0.46 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.45 0.05 -1.09 3.45 -2.24 -1.20 -4.97 114.28 110.72 2f99 n THR 97 Ca 0.19 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2f99 n THR 97 Cb 0.17 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.35 0.54 3.76 3.38 0.00 0.30 -4.98 105.19 109.53 2f99 n GLY 98 Ca -0.01 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.52 4.43 0.49 1.61 1.81 -1.25 -4.64 118.95 119.87 2f99 s ARG 99 Ca 0.00 0.96 -0.22 0.00 -1.72 0.00 0.00 55.73 54.74 2f99 s ARG 99 Cb 0.00 -3.33 -0.07 0.00 -0.45 0.00 0.00 34.95 31.10 2f99 s ARG 99 CO 0.00 0.37 1.20 -0.51 -0.68 0.00 0.00 175.30 175.68 2f99 s LEU 100 N -0.32 3.95 0.15 2.53 1.43 -1.26 -0.68 118.68 124.49 2f99 s LEU 100 Ca 0.35 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.69 2f99 s LEU 100 Cb -0.20 -4.29 0.02 0.00 0.03 0.00 0.00 46.19 41.76 2f99 s LEU 100 CO 0.21 -1.09 0.41 0.72 0.23 0.00 0.00 176.35 176.83 2f99 s PHE 101 N -1.52 -0.06 -0.09 0.29 -0.12 -0.64 -4.67 117.98 111.17 2f99 s PHE 101 Ca 0.66 -0.29 -0.06 0.00 -0.05 0.00 0.00 56.93 57.20 2f99 s PHE 101 Cb -0.31 0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2f99 s PHE 101 CO 0.37 -0.77 0.23 0.45 -0.05 0.00 0.00 175.22 175.45 2f99 s SER 102 N -2.86 -0.24 -0.08 1.98 0.15 -1.26 -1.76 113.70 109.64 2f99 s SER 102 Ca 0.07 0.47 -0.03 0.00 0.70 0.00 0.00 55.95 57.17 2f99 s SER 102 Cb 0.01 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2f99 s SER 102 CO -0.07 -0.13 0.17 -0.83 1.20 0.00 0.00 173.24 173.58 2f99 s GLY 103 N 0.77 -0.03 0.74 9.45 0.00 0.12 -4.80 107.32 113.57 2f99 s GLY 103 Ca -0.05 0.71 -0.15 0.00 0.00 0.00 0.00 44.72 45.22 2f99 s GLY 103 CO -0.05 1.23 1.21 1.18 0.00 0.00 0.00 173.10 176.67 2f99 n GLU 104 N 4.51 0.57 -3.93 2.90 1.02 -1.26 -1.00 120.64 123.45 2f99 n GLU 104 Ca -0.21 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 2f99 n GLU 104 Cb 0.51 -2.45 -0.12 0.00 -0.02 0.00 0.00 31.44 29.37 2f99 n GLU 104 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2f99 s GLN 105 N -3.74 0.22 -0.13 3.49 -0.21 0.64 -1.84 119.66 118.08 2f99 s GLN 105 Ca 0.77 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.79 2f99 s GLN 105 Cb -0.33 0.08 -0.01 0.00 1.00 0.00 0.00 33.01 33.75 2f99 s GLN 105 CO 0.47 -0.04 -0.15 0.42 -2.12 0.00 0.00 175.29 173.87 2f99 s ILE 106 N -0.92 2.81 -0.07 1.08 -1.09 -0.87 -1.83 121.20 120.30 2f99 s ILE 106 Ca -0.10 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.62 2f99 s ILE 106 Cb -0.06 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 2f99 s ILE 106 CO -0.00 0.53 -0.20 -1.00 -1.23 0.00 0.00 174.94 173.04 2f99 s HIS 107 N 0.45 2.59 -0.14 3.97 3.76 0.06 -0.79 115.29 125.18 2f99 s HIS 107 Ca -0.11 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.26 2f99 s HIS 107 Cb -0.16 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 2f99 s HIS 107 CO 0.05 -0.10 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.17 2f99 s LEU 108 N -0.22 2.43 -0.06 0.89 1.02 0.74 -0.81 118.68 122.66 2f99 s LEU 108 Ca -0.01 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.70 2f99 s LEU 108 Cb -0.13 -1.54 0.00 0.00 0.02 0.00 0.00 46.19 44.54 2f99 s LEU 108 CO 0.03 0.10 -0.15 -0.76 0.02 0.00 0.00 176.35 175.59 2f99 s LEU 109 N 0.71 1.81 -0.14 1.79 2.01 -0.01 -0.91 118.68 123.94 2f99 s LEU 109 Ca -0.08 -0.35 -0.02 0.00 0.01 0.00 0.00 54.13 53.70 2f99 s LEU 109 Cb -0.16 -0.94 -0.02 0.00 0.01 0.00 0.00 46.19 45.08 2f99 s LEU 109 CO 0.01 0.10 -0.08 -2.28 1.01 0.00 0.00 176.35 175.11 2f99 s HIS 110 N 0.37 2.92 -0.10 0.29 5.65 -0.06 -1.00 115.29 123.35 2f99 s HIS 110 Ca -0.11 -0.47 -0.12 0.00 0.25 0.00 0.00 55.06 54.61 2f99 s HIS 110 Cb -0.14 -1.91 -0.05 0.00 -1.18 0.00 0.00 32.58 29.30 2f99 s HIS 110 CO 0.04 -0.13 0.27 -0.06 -0.65 0.00 0.00 174.74 174.21 2f99 s PHE 111 N 0.38 3.58 -0.02 3.88 0.40 0.38 -0.19 117.98 126.39 2f99 s PHE 111 Ca -0.07 0.67 0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2f99 s PHE 111 Cb -0.15 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2f99 s PHE 111 CO 0.04 0.51 -0.04 0.08 0.70 0.00 0.00 175.22 176.51 2f99 s VAL 112 N -0.44 0.37 -1.39 -0.44 1.01 -0.27 -4.83 120.40 114.41 2f99 s VAL 112 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2f99 s VAL 112 Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2f99 s VAL 112 CO 0.06 0.14 0.17 0.47 0.00 0.00 0.00 175.10 175.94 2f99 n ASP 113 N 3.37 -4.87 -0.23 3.32 10.43 -1.26 -1.34 116.55 125.97 2f99 n ASP 113 Ca -0.18 -0.03 -0.03 0.00 2.57 0.00 0.00 54.79 57.12 2f99 n ASP 113 Cb 0.55 -4.05 -0.01 0.00 1.84 0.00 0.00 41.12 39.45 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 -1.04 0.54 3.31 0.44 0.00 -1.26 -5.01 105.19 102.17 2f99 n GLY 114 Ca -0.15 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.52 1.22 -0.24 1.61 1.02 -0.45 -4.96 119.74 116.42 2f99 s LYS 115 Ca 0.00 -1.46 -0.29 0.00 0.02 0.00 0.00 55.97 54.24 2f99 s LYS 115 Cb 0.00 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.23 2f99 s LYS 115 CO 0.00 0.19 1.57 0.42 -0.92 0.00 0.00 175.35 176.61 2f99 s ILE 116 N -2.64 3.76 -0.21 2.17 1.01 0.71 -1.11 121.20 124.88 2f99 s ILE 116 Ca 0.17 0.85 0.07 0.00 0.00 0.00 0.00 60.65 61.74 2f99 s ILE 116 Cb -0.02 -3.78 -0.17 0.00 0.01 0.00 0.00 42.46 38.49 2f99 s ILE 116 CO 0.05 -0.34 -0.10 1.57 0.00 0.00 0.00 174.94 176.12 2f99 n HIS 117 N 8.40 0.00 -4.08 3.97 -0.00 0.73 -1.50 115.22 122.74 2f99 n HIS 117 Ca 0.18 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.20 2f99 n HIS 117 Cb 0.46 -0.86 -0.15 0.00 -0.12 0.00 0.00 29.99 29.31 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 -2.44 0.45 -0.12 1.57 5.65 -1.02 -1.63 115.29 117.75 2f99 s HIS 118 Ca -0.22 -0.08 -0.02 0.00 0.25 0.00 0.00 55.06 54.98 2f99 s HIS 118 Cb 0.07 -0.38 0.04 0.00 -1.18 0.00 0.00 32.58 31.13 2f99 s HIS 118 CO 0.59 -0.08 0.03 -1.58 -0.65 0.00 0.00 174.74 173.06 2f99 s HIS 119 N 0.41 0.65 -0.09 3.88 5.04 -0.24 -0.89 115.29 124.05 2f99 s HIS 119 Ca -0.04 -0.37 0.03 0.00 -1.54 0.00 0.00 55.06 53.14 2f99 s HIS 119 Cb -0.08 -0.82 -0.01 0.00 0.04 0.00 0.00 32.58 31.70 2f99 s HIS 119 CO -0.01 -0.43 -0.17 0.50 -2.34 0.00 0.00 174.74 172.29 2f99 s ARG 120 N 1.98 2.97 0.03 2.88 3.52 -0.08 -4.01 118.95 126.23 2f99 s ARG 120 Ca 0.03 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.88 2f99 s ARG 120 Cb -0.14 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.80 2f99 s ARG 120 CO -0.06 0.33 -0.06 0.16 -0.81 0.00 0.00 175.30 174.86 2f99 s ASP 121 N 0.00 0.66 -0.38 -2.12 -4.77 -1.26 -0.19 116.67 108.61 2f99 s ASP 121 Ca -0.06 -0.43 0.03 0.00 -3.30 0.00 0.00 52.55 48.79 2f99 s ASP 121 Cb -0.15 0.03 0.11 0.00 -1.09 0.00 0.00 42.92 41.82 2f99 s ASP 121 CO 0.05 -0.16 0.11 0.26 0.70 0.00 0.00 175.17 176.12 2f99 s TRP 122 N -1.09 3.67 0.95 2.11 0.51 0.03 -4.96 118.94 120.17 2f99 s TRP 122 Ca -0.08 -2.91 -0.11 0.00 -2.12 0.00 0.00 56.10 50.87 2f99 s TRP 122 Cb -0.08 -2.98 0.16 0.00 -0.81 0.00 0.00 33.47 29.76 2f99 s TRP 122 CO 0.00 -0.93 1.09 -2.14 -0.51 0.00 0.00 176.95 174.46 2f99 s PRO 123 N 0.80 0.77 -1.27 4.98 0.02 -1.26 -2.05 135.00 136.98 2f99 s PRO 123 Ca 0.11 1.09 -0.16 0.00 0.02 0.00 0.00 61.00 62.07 2f99 s PRO 123 Cb -0.20 -1.73 0.11 0.00 0.02 0.00 0.00 34.50 32.70 2f99 s PRO 123 CO -0.06 -2.66 1.64 -3.47 -0.33 0.00 0.00 177.00 172.12 2f99 n ASP 124 N -4.20 5.02 0.05 2.53 2.03 -0.77 -4.85 116.55 116.37 2f99 n ASP 124 Ca 0.08 -2.95 -0.11 0.00 0.52 0.00 0.00 54.79 52.33 2f99 n ASP 124 Cb 0.54 -1.66 -0.05 0.00 -0.72 0.00 0.00 41.12 39.23 2f99 n ASP 124 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2f99 h TYR 125 N 7.26 -0.33 -0.41 -0.67 -1.99 -1.92 0.08 116.97 118.99 2f99 h TYR 125 Ca 0.40 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 61.06 2f99 h TYR 125 Cb 0.85 0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 2f99 h TYR 125 CO 1.29 -0.19 -0.05 1.96 -0.00 0.00 0.00 178.16 181.16 2f99 h GLN 126 N -0.22 0.75 -0.71 4.88 4.20 -1.99 0.11 115.11 122.13 2f99 h GLN 126 Ca 0.05 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2f99 h GLN 126 Cb 0.28 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2f99 h GLN 126 CO -0.13 0.86 0.42 0.78 -0.67 0.00 0.00 178.83 180.10 2f99 h GLY 127 N 0.58 1.04 0.85 3.46 0.00 -1.95 -0.98 103.07 106.06 2f99 h GLY 127 Ca 0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2f99 h GLY 127 CO 0.03 0.42 0.05 -0.84 0.00 0.00 0.00 176.54 176.20 2f99 h THR 128 N 0.97 1.17 -0.59 4.70 2.02 -0.75 -2.32 112.91 118.11 2f99 h THR 128 Ca 0.25 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.97 2f99 h THR 128 Cb -0.02 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 2f99 h THR 128 CO -0.05 0.16 0.26 0.22 0.37 0.00 0.00 175.52 176.49 2f99 h TYR 129 N 0.05 0.47 -0.18 3.16 3.20 -0.50 -0.04 116.97 123.13 2f99 h TYR 129 Ca 0.05 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2f99 h TYR 129 Cb 0.21 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2f99 h TYR 129 CO -0.00 0.18 -0.04 0.00 -1.64 0.00 0.00 178.16 176.66 2f99 h ARG 130 N 0.48 0.01 0.00 1.82 3.08 -1.12 0.15 114.38 118.80 2f99 h ARG 130 Ca 0.28 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2f99 h ARG 130 Cb 0.27 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2f99 h ARG 130 CO -0.24 0.01 -0.11 1.96 -1.07 0.00 0.00 179.97 180.52 2f99 h GLN 131 N 0.01 0.00 -0.01 0.04 4.20 -0.76 0.24 115.11 118.82 2f99 h GLN 131 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2f99 h GLN 131 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2f99 h GLN 131 CO -0.18 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.37 2f99 n LEU 132 N -3.60 0.16 -0.18 1.46 4.77 -0.11 -4.73 117.00 114.77 2f99 n LEU 132 Ca -0.02 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 2f99 n LEU 132 Cb 0.23 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2f99 n LEU 132 CO 0.29 0.03 -0.02 0.61 -1.33 0.00 0.00 177.39 176.97 2f99 n GLY 133 N 0.88 0.51 3.65 -0.72 0.00 0.07 -4.20 105.19 105.38 2f99 n GLY 133 Ca 0.17 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.65 -1.24 -1.94 1.61 1.02 -0.01 -4.91 120.64 112.52 2f99 n GLU 134 Ca -0.02 0.52 -0.38 0.00 -0.02 0.00 0.00 57.16 57.26 2f99 n GLU 134 Cb 0.15 -4.14 0.02 0.00 -0.02 0.00 0.00 31.44 27.45 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 -5.77 3.44 -0.04 3.49 0.04 -1.26 -5.00 135.00 129.90 2f99 s PRO 135 Ca 0.44 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 2f99 s PRO 135 Cb -0.15 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 2f99 s PRO 135 CO 0.86 -0.91 0.83 -1.58 0.04 0.00 0.00 177.00 176.23 2f99 s TRP 136 N -1.36 3.61 0.54 0.56 0.52 -1.26 -5.05 118.94 116.50 2f99 s TRP 136 Ca 0.67 1.45 -0.22 0.00 0.02 0.00 0.00 56.10 58.02 2f99 s TRP 136 Cb -0.37 -2.95 -0.05 0.00 -1.15 0.00 0.00 33.47 28.95 2f99 s TRP 136 CO 0.45 0.04 1.36 -2.30 0.02 0.00 0.00 176.95 176.52 2f99 n PRO 137 N 3.86 1.75 0.01 4.98 -0.02 -1.26 -4.75 135.00 139.58 2f99 n PRO 137 Ca 0.02 0.64 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 2f99 n PRO 137 Cb 0.51 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 2f99 n PRO 137 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f99 n GLU 138 N -0.91 0.64 -3.57 -0.52 0.28 0.25 -4.98 120.64 111.84 2f99 n GLU 138 Ca 0.10 -0.03 -0.11 0.00 -0.16 0.00 0.00 57.16 56.96 2f99 n GLU 138 Cb 0.44 -1.64 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 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 -3.26 0.05 0.20 3.84 -1.32 -1.08 -5.09 115.64 108.98 2f99 s THR 139 Ca -0.06 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 59.74 2f99 s THR 139 Cb 0.11 -1.10 -0.08 0.00 -1.51 0.00 0.00 72.50 69.92 2f99 s THR 139 CO 0.85 -0.21 1.19 -1.61 -2.21 0.00 0.00 174.62 172.63 2f99 s GLU 140 N -3.65 4.50 0.00 7.08 2.02 -1.26 -4.32 118.70 123.08 2f99 s GLU 140 Ca 0.02 1.88 0.19 0.00 0.02 0.00 0.00 54.97 57.08 2f99 s GLU 140 Cb 0.01 -3.23 1.14 0.00 0.10 0.00 0.00 34.13 32.15 2f99 s GLU 140 CO -0.11 -0.06 1.53 1.58 0.02 0.00 0.00 175.26 178.22