#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n59 n LEU -6 N 0.00 0.82 -3.91 1.20 -0.00 -1.26 -4.95 117.00 108.90 3n59 n LEU -6 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 3n59 n LEU -6 Cb 0.00 -2.16 -0.08 0.00 -0.00 0.00 0.00 43.42 41.18 3n59 n LEU -6 CO 0.00 -0.83 -0.16 -0.72 -0.00 0.00 0.00 177.39 175.68 3n59 s TYR -5 N -1.18 0.20 -0.15 1.47 1.13 -1.26 -5.14 117.35 112.42 3n59 s TYR -5 Ca 0.00 -0.59 -0.23 0.00 -1.41 0.00 0.00 57.07 54.84 3n59 s TYR -5 Cb 0.00 -0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 3n59 s TYR -5 CO 0.00 -0.46 0.70 -0.06 -2.51 0.00 0.00 175.55 173.22 3n59 s PHE -4 N -3.38 3.45 -0.16 -3.49 0.08 -1.26 -5.05 117.98 108.17 3n59 s PHE -4 Ca 0.01 1.11 -0.02 0.00 0.12 0.00 0.00 56.93 58.16 3n59 s PHE -4 Cb 0.03 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 3n59 s PHE -4 CO -0.08 -0.11 -0.01 -1.14 -0.10 0.00 0.00 175.22 173.78 3n59 s GLN -3 N 1.63 0.98 0.68 0.44 0.74 -1.26 -4.64 119.66 118.22 3n59 s GLN -3 Ca 0.34 -0.38 -0.17 0.00 0.05 0.00 0.00 55.36 55.20 3n59 s GLN -3 Cb -0.17 -1.87 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 3n59 s GLN -3 CO 0.13 -0.50 0.90 0.45 -0.55 0.00 0.00 175.29 175.72 3n59 n SER -2 N 4.99 0.32 0.32 6.67 2.88 -1.26 -4.88 113.62 122.66 3n59 n SER -2 Ca -0.10 0.71 0.20 0.00 -1.33 0.00 0.00 58.87 58.35 3n59 n SER -2 Cb 0.48 -1.37 1.10 0.00 -0.75 0.00 0.00 64.21 63.66 3n59 n SER -2 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3n59 h HIS -1 N 0.00 0.00 0.00 0.66 2.07 -2.00 -2.41 115.15 113.47 3n59 h HIS -1 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3n59 h HIS -1 Cb 1.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.33 3n59 h HIS -1 CO 0.38 0.01 -1.49 -1.33 -3.07 0.00 0.00 177.93 172.42 3n59 n MET 0 N -3.25 0.41 0.12 5.12 2.81 -1.26 -4.39 117.12 116.68 3n59 n MET 0 Ca -0.03 -0.09 -0.01 0.00 -1.81 0.00 0.00 57.70 55.76 3n59 n MET 0 Cb 0.10 -1.54 0.25 0.00 -0.71 0.00 0.00 33.22 31.32 3n59 n MET 0 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3n59 h SER 1 N 0.00 0.16 0.46 7.83 0.02 -1.75 -2.92 113.55 117.35 3n59 h SER 1 Ca 0.00 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3n59 h SER 1 Cb 0.81 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3n59 h SER 1 CO 0.00 0.57 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.05 3n59 h GLU 2 N 0.13 0.00 0.00 3.45 4.81 -1.77 -2.92 114.58 118.28 3n59 h GLU 2 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3n59 h GLU 2 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3n59 h GLU 2 CO 0.06 0.12 -0.73 1.28 -0.73 0.00 0.00 179.01 179.02 3n59 n LEU 3 N -3.55 0.69 -4.50 1.64 4.32 -1.10 -4.78 117.00 109.71 3n59 n LEU 3 Ca -0.01 -0.18 -0.43 0.00 -0.02 0.00 0.00 56.01 55.37 3n59 n LEU 3 Cb 0.26 -0.15 -0.09 0.00 -1.62 0.00 0.00 43.42 41.83 3n59 n LEU 3 CO 0.30 0.16 0.10 -0.63 -1.22 0.00 0.00 177.39 176.09 3n59 s ILE 4 N -3.02 5.10 -0.27 -0.08 1.01 -1.10 -1.47 121.20 121.36 3n59 s ILE 4 Ca 0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 3n59 s ILE 4 Cb 0.17 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3n59 s ILE 4 CO 0.77 -0.36 0.14 -0.69 0.00 0.00 0.00 174.94 174.80 3n59 s VAL 5 N 2.12 4.84 -0.45 2.92 1.01 0.65 -3.61 120.40 127.88 3n59 s VAL 5 Ca 0.12 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 3n59 s VAL 5 Cb -0.17 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.92 3n59 s VAL 5 CO 0.13 0.25 0.66 0.20 0.00 0.00 0.00 175.10 176.34 3n59 s ASN 6 N 1.69 6.32 -0.37 3.32 0.01 -0.07 -1.20 114.94 124.63 3n59 s ASN 6 Ca 0.06 -0.40 -0.18 0.00 -0.71 0.00 0.00 52.86 51.63 3n59 s ASN 6 Cb -0.16 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.18 3n59 s ASN 6 CO 0.08 -0.82 0.52 -0.69 -1.51 0.00 0.00 177.10 174.68 3n59 s VAL 7 N 2.88 4.99 -0.20 1.60 1.01 -0.28 -0.93 120.40 129.47 3n59 s VAL 7 Ca 0.22 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 3n59 s VAL 7 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3n59 s VAL 7 CO 0.18 -0.31 -0.10 -0.63 0.00 0.00 0.00 175.10 174.25 3n59 s ILE 8 N 2.43 2.90 -0.15 2.22 1.01 -0.09 -1.23 121.20 128.29 3n59 s ILE 8 Ca 0.18 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3n59 s ILE 8 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3n59 s ILE 8 CO 0.14 0.47 -0.04 0.20 0.00 0.00 0.00 174.94 175.71 3n59 s ASN 9 N 1.38 4.74 0.28 3.58 0.01 -0.22 -1.62 114.94 123.09 3n59 s ASN 9 Ca 0.05 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3n59 s ASN 9 Cb -0.14 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.77 3n59 s ASN 9 CO -0.06 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 3n59 n GLY 10 N 3.48 -0.03 3.56 0.66 0.00 0.23 -1.89 105.19 111.21 3n59 n GLY 10 Ca -0.17 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n59 n PRO 11 N -0.40 1.14 -0.77 1.61 -0.02 -1.06 -2.81 135.00 132.69 3n59 n PRO 11 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3n59 n PRO 11 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n59 n ASN 12 N 0.99 0.00 0.07 2.55 3.02 -1.26 -4.56 115.26 116.07 3n59 n ASN 12 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3n59 n ASN 12 Cb 0.36 -1.11 0.06 0.00 -0.61 0.00 0.00 39.78 38.48 3n59 n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n59 n LEU 13 N 0.00 0.75 0.00 3.41 4.77 -1.12 -3.03 117.00 121.77 3n59 n LEU 13 Ca 0.00 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 3n59 n LEU 13 Cb 0.00 -0.11 0.49 0.00 -2.33 0.00 0.00 43.42 41.47 3n59 n LEU 13 CO 0.00 -0.10 0.72 0.61 -1.33 0.00 0.00 177.39 177.29 3n59 n GLY 14 N 1.27 -0.69 0.65 -0.72 0.00 -1.26 -2.98 105.19 101.45 3n59 n GLY 14 Ca 0.01 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3n59 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 15 N -0.87 1.56 -1.68 1.61 5.12 -1.17 -4.77 116.66 116.46 3n59 n ARG 15 Ca 0.12 -1.62 -0.46 0.00 -1.93 0.00 0.00 57.85 53.97 3n59 n ARG 15 Cb 0.06 -1.29 -0.04 0.00 -1.16 0.00 0.00 32.46 30.02 3n59 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n59 n LEU 16 N 0.80 3.31 0.00 0.55 4.77 -1.16 -3.26 117.00 122.01 3n59 n LEU 16 Ca 0.10 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 3n59 n LEU 16 Cb 0.39 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 3n59 n LEU 16 CO 0.09 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 3n59 n GLY 17 N 3.71 3.32 2.74 -0.72 0.00 -1.24 -3.38 105.19 109.61 3n59 n GLY 17 Ca 0.18 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 3n59 n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n59 n ARG 18 N 0.00 2.62 -2.53 1.61 1.85 -1.20 -4.50 116.66 114.51 3n59 n ARG 18 Ca 0.00 -3.12 -0.07 0.00 -1.00 0.00 0.00 57.85 53.65 3n59 n ARG 18 Cb 0.00 -2.22 0.04 0.00 -1.05 0.00 0.00 32.46 29.23 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3n59 n GLY 25 N -0.13 0.05 0.09 2.89 0.00 -1.26 -5.08 105.19 101.76 3n59 n GLY 25 Ca 0.53 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 3n59 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n59 n GLY 26 N -1.16 -0.50 3.71 -0.02 0.00 -1.26 -4.98 105.19 100.98 3n59 n GLY 26 Ca -0.10 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3n59 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n59 s THR 27 N -2.41 3.80 0.86 2.61 -4.23 -1.26 -4.56 115.64 110.45 3n59 s THR 27 Ca -0.20 1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 61.47 3n59 s THR 27 Cb 0.06 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 70.19 3n59 s THR 27 CO 0.56 0.10 1.19 0.42 -0.54 0.00 0.00 174.62 176.34 3n59 s THR 28 N 1.12 1.99 0.23 3.99 -4.23 -1.26 -3.72 115.64 113.77 3n59 s THR 28 Ca 0.61 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.09 3n59 s THR 28 Cb -0.32 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.62 3n59 s THR 28 CO 0.29 0.00 1.64 -0.74 -0.54 0.00 0.00 174.62 175.27 3n59 h HIS 29 N -1.25 0.80 -0.71 3.99 6.17 -1.85 -0.74 115.15 121.57 3n59 h HIS 29 Ca -0.47 -0.18 -0.00 0.00 0.71 0.00 0.00 60.37 60.42 3n59 h HIS 29 Cb 1.32 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 31.02 3n59 h HIS 29 CO 0.10 0.88 0.43 -0.44 0.71 0.00 0.00 177.93 179.61 3n59 h ASP 30 N 0.61 0.85 -0.08 3.26 3.32 -1.94 -0.17 116.42 122.27 3n59 h ASP 30 Ca 0.08 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3n59 h ASP 30 Cb 0.74 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3n59 h ASP 30 CO 0.06 0.66 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.66 3n59 h GLU 31 N 0.97 0.51 -0.39 3.56 5.08 -1.89 -2.52 114.58 119.90 3n59 h GLU 31 Ca 0.26 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3n59 h GLU 31 Cb -0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3n59 h GLU 31 CO -0.05 0.72 0.20 1.25 -1.00 0.00 0.00 179.01 180.13 3n59 h LEU 32 N 0.45 0.51 -0.43 1.33 5.85 -0.61 -0.51 115.31 121.90 3n59 h LEU 32 Ca 0.07 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3n59 h LEU 32 Cb 0.67 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3n59 h LEU 32 CO 0.05 0.48 0.22 0.58 -0.34 0.00 0.00 178.44 179.43 3n59 h VAL 33 N 0.50 0.97 -0.37 1.05 2.07 -0.89 -1.12 116.25 118.46 3n59 h VAL 33 Ca 0.14 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 3n59 h VAL 33 Cb 0.10 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3n59 h VAL 33 CO -0.02 0.08 -0.11 0.00 0.02 0.00 0.00 177.57 177.54 3n59 h ALA 34 N 1.23 1.10 -0.46 1.67 0.00 -1.31 -1.46 119.26 120.03 3n59 h ALA 34 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3n59 h ALA 34 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3n59 h ALA 34 CO -0.13 0.56 0.05 -0.07 0.00 0.00 0.00 179.25 179.66 3n59 h LEU 35 N 0.60 0.75 0.15 0.00 3.38 -0.68 -2.53 115.31 116.98 3n59 h LEU 35 Ca 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3n59 h LEU 35 Cb 0.55 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3n59 h LEU 35 CO 0.03 0.84 -0.07 0.40 0.09 0.00 0.00 178.44 179.73 3n59 h ILE 36 N 0.64 1.00 -0.68 1.22 2.04 -1.07 -2.40 117.51 118.25 3n59 h ILE 36 Ca 0.14 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.27 3n59 h ILE 36 Cb 0.43 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 3n59 h ILE 36 CO 0.01 0.19 0.23 -0.33 0.00 0.00 0.00 178.15 178.26 3n59 h GLU 37 N -0.62 0.37 -0.45 2.37 5.08 -1.33 0.23 114.58 120.23 3n59 h GLU 37 Ca -0.02 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3n59 h GLU 37 Cb 0.47 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3n59 h GLU 37 CO 0.03 0.25 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.19 3n59 h ARG 38 N 0.38 0.81 -0.20 2.33 2.43 -1.50 -1.88 114.38 116.75 3n59 h ARG 38 Ca 0.36 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3n59 h ARG 38 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3n59 h ARG 38 CO -0.38 0.87 -0.44 1.49 -1.51 0.00 0.00 179.97 179.99 3n59 h GLU 39 N 0.65 0.50 -0.54 0.20 4.57 -0.85 -2.49 114.58 116.62 3n59 h GLU 39 Ca 0.13 -0.27 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 3n59 h GLU 39 Cb 0.52 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3n59 h GLU 39 CO 0.03 0.85 -0.07 0.00 -1.18 0.00 0.00 179.01 178.64 3n59 h ALA 40 N 1.11 0.86 -0.60 2.92 0.00 -0.50 -2.57 119.26 120.49 3n59 h ALA 40 Ca 0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3n59 h ALA 40 Cb 0.94 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3n59 h ALA 40 CO 0.08 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.15 3n59 h ALA 41 N 1.03 1.17 -0.35 0.00 0.00 -1.20 0.34 119.26 120.25 3n59 h ALA 41 Ca 0.15 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3n59 h ALA 41 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3n59 h ALA 41 CO 0.04 0.57 -0.13 0.93 0.00 0.00 0.00 179.25 180.66 3n59 h GLU 42 N 0.88 0.61 0.00 0.00 5.08 -1.31 -2.96 114.58 116.89 3n59 h GLU 42 Ca 0.20 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n59 h GLU 42 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3n59 h GLU 42 CO -0.00 0.72 -0.13 1.28 -1.00 0.00 0.00 179.01 179.88 3n59 n LEU 43 N -4.18 0.16 -0.15 1.33 4.77 -0.98 -4.92 117.00 113.04 3n59 n LEU 43 Ca 0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3n59 n LEU 43 Cb 0.35 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3n59 n LEU 43 CO 0.42 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3n59 n GLY 44 N 1.49 1.06 3.35 -0.72 0.00 -0.86 -4.94 105.19 104.57 3n59 n GLY 44 Ca 0.07 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 3n59 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n59 s LEU 45 N -0.30 2.31 -0.13 0.99 1.43 0.11 -4.98 118.68 118.12 3n59 s LEU 45 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 3n59 s LEU 45 Cb 0.00 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 3n59 s LEU 45 CO 0.00 -0.44 -0.14 -0.75 0.23 0.00 0.00 176.35 175.25 3n59 s LYS 46 N -3.81 3.34 -0.11 1.70 2.36 -0.54 -3.35 119.74 119.33 3n59 s LYS 46 Ca 0.28 -0.71 -0.01 0.00 -2.55 0.00 0.00 55.97 52.98 3n59 s LYS 46 Cb 0.05 -2.61 -0.03 0.00 -1.05 0.00 0.00 37.83 34.19 3n59 s LYS 46 CO 0.09 0.19 -0.07 0.00 1.55 0.00 0.00 175.35 177.10 3n59 s ALA 47 N 0.40 2.90 -0.31 3.13 0.00 -1.26 -0.25 121.76 126.37 3n59 s ALA 47 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3n59 s ALA 47 Cb -0.16 -1.33 0.07 0.00 0.00 0.00 0.00 23.12 21.70 3n59 s ALA 47 CO 0.05 0.38 0.01 0.08 0.00 0.00 0.00 175.76 176.29 3n59 s VAL 48 N -0.17 2.64 -0.26 0.00 1.01 -0.34 -4.89 120.40 118.39 3n59 s VAL 48 Ca 0.02 -1.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 3n59 s VAL 48 Cb -0.13 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3n59 s VAL 48 CO 0.03 -0.29 0.13 -0.69 0.00 0.00 0.00 175.10 174.29 3n59 s VAL 49 N 1.11 4.91 0.02 2.92 1.01 -1.26 -1.13 120.40 127.98 3n59 s VAL 49 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3n59 s VAL 49 Cb -0.20 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3n59 s VAL 49 CO -0.04 0.31 -0.05 -0.13 0.00 0.00 0.00 175.10 175.18 3n59 s ARG 50 N 1.55 0.38 -0.01 2.72 0.52 -0.37 -5.00 118.95 118.73 3n59 s ARG 50 Ca 0.07 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3n59 s ARG 50 Cb -0.15 -0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.12 3n59 s ARG 50 CO 0.07 0.04 -0.12 -1.14 0.02 0.00 0.00 175.30 174.16 3n59 s GLN 51 N -0.96 1.07 -0.05 3.54 -0.44 -1.26 -1.06 119.66 120.51 3n59 s GLN 51 Ca -0.07 -0.44 -0.14 0.00 -2.50 0.00 0.00 55.36 52.21 3n59 s GLN 51 Cb -0.07 -1.02 0.03 0.00 -1.64 0.00 0.00 33.01 30.31 3n59 s GLN 51 CO -0.00 0.24 0.32 0.45 0.50 0.00 0.00 175.29 176.80 3n59 s SER 52 N -0.19 -0.24 0.04 6.67 0.15 -0.79 -4.99 113.70 114.35 3n59 s SER 52 Ca 0.03 0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.18 3n59 s SER 52 Cb -0.06 0.42 0.43 0.00 -1.71 0.00 0.00 66.02 65.10 3n59 s SER 52 CO -0.00 -0.36 1.36 0.47 1.20 0.00 0.00 173.24 175.91 3n59 n ASP 53 N 1.72 0.56 -4.68 5.45 8.00 -1.26 -2.56 116.55 123.77 3n59 n ASP 53 Ca -0.19 -0.12 -0.40 0.00 0.71 0.00 0.00 54.79 54.79 3n59 n ASP 53 Cb 0.56 0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.87 3n59 n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n59 s SER 54 N -3.46 6.87 0.16 -2.24 0.15 -1.26 -4.62 113.70 109.29 3n59 s SER 54 Ca 0.09 1.05 -0.13 0.00 0.70 0.00 0.00 55.95 57.66 3n59 s SER 54 Cb 0.16 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.12 3n59 s SER 54 CO 0.71 -0.25 1.70 -0.08 1.20 0.00 0.00 173.24 176.52 3n59 h GLU 55 N 7.17 0.81 -0.89 5.44 4.81 -2.00 -2.52 114.58 127.40 3n59 h GLU 55 Ca -0.34 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 3n59 h GLU 55 Cb 1.16 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 3n59 h GLU 55 CO 0.79 0.73 0.58 0.00 -0.73 0.00 0.00 179.01 180.37 3n59 h ALA 56 N 1.04 1.18 -0.69 2.92 0.00 -1.99 -0.40 119.26 121.32 3n59 h ALA 56 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3n59 h ALA 56 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3n59 h ALA 56 CO -0.01 0.43 0.13 0.37 0.00 0.00 0.00 179.25 180.17 3n59 h GLN 57 N 1.12 1.13 -0.54 0.00 5.75 -1.94 -1.14 115.11 119.50 3n59 h GLN 57 Ca 0.36 -0.30 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 3n59 h GLN 57 Cb 0.01 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3n59 h GLN 57 CO -0.12 1.02 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.91 3n59 h LEU 58 N 1.06 1.01 -0.59 -2.39 3.38 -1.01 -2.31 115.31 114.47 3n59 h LEU 58 Ca 0.21 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3n59 h LEU 58 Cb 0.43 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3n59 h LEU 58 CO 0.01 1.12 0.36 -0.07 0.09 0.00 0.00 178.44 179.95 3n59 h LEU 59 N 0.90 0.70 -0.43 1.67 3.38 -0.79 -1.17 115.31 119.57 3n59 h LEU 59 Ca 0.14 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3n59 h LEU 59 Cb 0.66 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3n59 h LEU 59 CO 0.05 0.54 0.25 -0.78 0.09 0.00 0.00 178.44 178.59 3n59 h ASP 60 N 0.79 0.40 -0.49 -0.43 3.58 -1.09 -0.67 116.42 118.52 3n59 h ASP 60 Ca 0.21 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 3n59 h ASP 60 Cb -0.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3n59 h ASP 60 CO -0.04 0.29 0.06 -0.50 -2.88 0.00 0.00 179.24 176.17 3n59 h TRP 61 N 0.50 0.93 -0.52 0.28 6.55 -1.16 -1.94 115.95 120.60 3n59 h TRP 61 Ca 0.17 -0.12 -0.07 0.00 0.95 0.00 0.00 58.89 59.82 3n59 h TRP 61 Cb 0.02 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.04 3n59 h TRP 61 CO -0.07 0.81 0.04 0.82 -1.05 0.00 0.00 178.44 178.99 3n59 h ILE 62 N 0.83 1.26 -0.56 1.49 1.08 -0.97 -2.30 117.51 118.33 3n59 h ILE 62 Ca 0.17 -1.03 0.05 0.00 -0.39 0.00 0.00 64.86 63.66 3n59 h ILE 62 Cb 0.41 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 3n59 h ILE 62 CO 0.01 0.36 0.30 0.45 -0.69 0.00 0.00 178.15 178.59 3n59 h HIS 63 N 0.76 0.55 -0.81 1.37 3.86 -0.81 -0.29 115.15 119.78 3n59 h HIS 63 Ca 0.15 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3n59 h HIS 63 Cb 0.47 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 3n59 h HIS 63 CO 0.03 0.27 0.49 1.96 0.86 0.00 0.00 177.93 181.55 3n59 h GLN 64 N 0.57 1.10 -0.04 2.45 4.20 -1.24 -0.54 115.11 121.61 3n59 h GLN 64 Ca 0.25 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 3n59 h GLN 64 Cb 0.14 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3n59 h GLN 64 CO -0.16 0.77 -0.59 0.00 -0.67 0.00 0.00 178.83 178.18 3n59 h ALA 65 N 1.26 0.94 -0.16 3.87 0.00 -0.96 -0.41 119.26 123.81 3n59 h ALA 65 Ca 0.29 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3n59 h ALA 65 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n59 h ALA 65 CO -0.06 0.72 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 3n59 h ALA 66 N 1.30 0.22 -0.54 0.00 0.00 -0.77 -0.32 119.26 119.14 3n59 h ALA 66 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3n59 h ALA 66 Cb 1.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3n59 h ALA 66 CO 0.08 0.01 0.11 -0.44 0.00 0.00 0.00 179.25 179.01 3n59 h ASP 67 N 0.01 0.85 0.27 0.00 3.32 -0.99 -2.88 116.42 116.99 3n59 h ASP 67 Ca 0.04 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3n59 h ASP 67 Cb 0.51 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3n59 h ASP 67 CO 0.02 0.87 -0.10 0.00 -1.72 0.00 0.00 179.24 178.32 3n59 n ALA 68 N -2.41 2.76 -3.69 3.45 0.00 -0.17 -4.94 120.51 115.50 3n59 n ALA 68 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 3n59 n ALA 68 Cb 0.25 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.42 3n59 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n59 n ALA 69 N -0.79 -1.95 -2.76 0.00 0.00 -0.66 -4.69 120.51 109.66 3n59 n ALA 69 Ca 0.16 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 3n59 n ALA 69 Cb 0.28 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 3n59 n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n59 s GLU 70 N -5.97 3.26 0.34 0.00 2.02 -0.22 -4.43 118.70 113.70 3n59 s GLU 70 Ca 0.06 -0.42 -0.28 0.00 0.02 0.00 0.00 54.97 54.35 3n59 s GLU 70 Cb -0.03 -2.87 -0.12 0.00 0.10 0.00 0.00 34.13 31.20 3n59 s GLU 70 CO 0.80 0.55 1.27 -2.30 0.02 0.00 0.00 175.26 175.60 3n59 n PRO 71 N 2.63 2.07 -5.11 0.39 -0.02 -1.24 -4.68 135.00 129.03 3n59 n PRO 71 Ca -0.18 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 3n59 n PRO 71 Cb 0.53 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.56 3n59 n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n59 s VAL 72 N -1.09 2.37 -0.25 -1.45 1.01 -0.58 -0.89 120.40 119.52 3n59 s VAL 72 Ca 0.56 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 3n59 s VAL 72 Cb -0.58 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3n59 s VAL 72 CO 0.62 0.56 0.03 -0.63 0.00 0.00 0.00 175.10 175.68 3n59 s ILE 73 N 0.03 3.89 -0.12 2.22 1.01 -0.10 -1.22 121.20 126.91 3n59 s ILE 73 Ca -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3n59 s ILE 73 Cb -0.15 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3n59 s ILE 73 CO 0.05 0.31 -0.19 -0.22 0.00 0.00 0.00 174.94 174.89 3n59 s LEU 74 N 1.54 1.93 -0.31 2.97 2.96 0.24 -0.91 118.68 127.09 3n59 s LEU 74 Ca 0.05 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3n59 s LEU 74 Cb -0.15 -1.27 0.09 0.00 0.50 0.00 0.00 46.19 45.36 3n59 s LEU 74 CO 0.01 0.06 0.02 0.21 -1.32 0.00 0.00 176.35 175.32 3n59 s ASN 75 N 0.84 4.58 0.00 3.68 3.84 -0.64 -0.54 114.94 126.70 3n59 s ASN 75 Ca -0.08 -1.90 0.28 0.00 0.21 0.00 0.00 52.86 51.37 3n59 s ASN 75 Cb -0.15 -1.52 1.09 0.00 -0.55 0.00 0.00 41.25 40.12 3n59 s ASN 75 CO -0.01 -0.34 1.77 0.00 -2.79 0.00 0.00 177.10 175.74 3n59 n ALA 76 N 4.36 2.75 -0.82 1.71 0.00 -1.26 0.75 120.51 128.01 3n59 n ALA 76 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3n59 n ALA 76 Cb 0.42 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3n59 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n59 n GLY 77 N 1.22 2.79 0.29 0.00 0.00 -1.26 -2.74 105.19 105.48 3n59 n GLY 77 Ca 0.17 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3n59 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n59 h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.96 -2.68 103.07 100.41 3n59 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n59 h LEU 79 N 0.00 0.00 -0.91 3.11 3.38 -1.90 -2.83 115.31 116.15 3n59 h LEU 79 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3n59 h LEU 79 Cb 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 3n59 h LEU 79 CO 0.01 0.00 0.49 0.74 0.09 0.00 0.00 178.44 179.76 3n59 h THR 80 N 0.00 0.65 -0.00 0.22 2.02 -1.63 -1.14 112.91 113.01 3n59 h THR 80 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3n59 h THR 80 Cb 0.39 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3n59 h THR 80 CO 0.00 0.11 -0.60 1.41 0.37 0.00 0.00 175.52 176.81 3n59 n HIS 81 N -4.89 0.00 0.00 3.16 8.25 -1.07 -1.62 115.22 119.06 3n59 n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n59 n HIS 81 Cb 0.55 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3n59 n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n59 n THR 82 N -1.05 0.00 -3.20 1.59 -2.24 -0.99 -4.80 114.28 103.59 3n59 n THR 82 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 3n59 n THR 82 Cb 0.36 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 3n59 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n59 s SER 83 N -3.24 6.25 0.12 3.42 0.15 -0.47 -4.90 113.70 115.04 3n59 s SER 83 Ca 0.00 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 3n59 s SER 83 Cb 0.00 -2.28 -0.10 0.00 -1.71 0.00 0.00 66.02 61.93 3n59 s SER 83 CO 0.00 -0.72 1.31 0.58 1.20 0.00 0.00 173.24 175.61 3n59 h VAL 84 N 5.82 1.34 -0.62 4.45 2.07 -1.96 -2.94 116.25 124.41 3n59 h VAL 84 Ca -0.26 -2.24 0.08 0.00 0.82 0.00 0.00 66.70 65.10 3n59 h VAL 84 Cb 1.10 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 3n59 h VAL 84 CO 0.87 0.68 0.28 0.00 0.02 0.00 0.00 177.57 179.42 3n59 h ALA 85 N 0.68 0.82 -0.44 1.67 0.00 -1.99 0.16 119.26 120.15 3n59 h ALA 85 Ca -0.07 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3n59 h ALA 85 Cb 1.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3n59 h ALA 85 CO 0.16 -0.11 -0.26 1.25 0.00 0.00 0.00 179.25 180.29 3n59 h LEU 86 N 0.50 0.98 -0.40 0.00 5.85 -1.95 -1.80 115.31 118.49 3n59 h LEU 86 Ca 0.30 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3n59 h LEU 86 Cb 0.30 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3n59 h LEU 86 CO -0.25 1.17 0.21 -0.09 -0.34 0.00 0.00 178.44 179.14 3n59 h ARG 87 N 0.80 0.41 -0.50 1.25 2.43 -1.21 -0.29 114.38 117.28 3n59 h ARG 87 Ca 0.10 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3n59 h ARG 87 Cb 0.83 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3n59 h ARG 87 CO 0.07 0.27 0.02 -0.44 -1.51 0.00 0.00 179.97 178.38 3n59 h ASP 88 N 0.42 0.79 -0.17 -3.80 5.19 -0.55 -0.67 116.42 117.63 3n59 h ASP 88 Ca 0.17 -0.19 -0.17 0.00 -0.62 0.00 0.00 57.03 56.22 3n59 h ASP 88 Cb 0.06 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 3n59 h ASP 88 CO -0.10 0.85 -0.52 0.00 -3.12 0.00 0.00 179.24 176.35 3n59 h ALA 89 N 1.24 0.60 0.00 3.45 0.00 -1.15 -3.01 119.26 120.39 3n59 h ALA 89 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3n59 h ALA 89 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3n59 h ALA 89 CO 0.02 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 3n59 h ALA 91 N 1.97 1.02 0.00 0.00 0.00 -0.98 -2.88 119.26 118.38 3n59 h ALA 91 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3n59 h ALA 91 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3n59 h ALA 91 CO 0.00 0.17 -0.27 0.93 0.00 0.00 0.00 179.25 180.09 3n59 h GLU 92 N 0.00 0.00 -6.53 0.00 5.08 -1.49 -3.46 114.58 108.18 3n59 h GLU 92 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3n59 h GLU 92 Cb 0.67 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.97 3n59 h GLU 92 CO 0.02 0.27 0.91 1.28 -1.00 0.00 0.00 179.01 180.49 3n59 n LEU 93 N -3.41 3.47 -0.10 1.33 4.77 -1.09 -4.89 117.00 117.08 3n59 n LEU 93 Ca 0.00 1.06 -0.17 0.00 -0.03 0.00 0.00 56.01 56.87 3n59 n LEU 93 Cb 0.46 -1.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 3n59 n LEU 93 CO 0.34 -0.09 -1.23 -1.54 -1.33 0.00 0.00 177.39 173.55 3n59 n SER 94 N 4.06 1.64 -4.84 -1.43 3.41 -1.26 -4.93 113.62 110.27 3n59 n SER 94 Ca 0.17 -0.06 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 3n59 n SER 94 Cb 0.31 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3n59 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n59 s ALA 95 N -2.52 2.74 0.69 7.33 0.00 -1.26 -5.00 121.76 123.74 3n59 s ALA 95 Ca -0.28 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 3n59 s ALA 95 Cb 0.08 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3n59 s ALA 95 CO 0.67 -1.18 0.98 -2.30 0.00 0.00 0.00 175.76 173.93 3n59 n PRO 96 N -3.07 0.63 -4.05 0.00 -0.02 -1.26 -4.73 135.00 122.49 3n59 n PRO 96 Ca 0.07 0.27 -0.27 0.00 -2.02 0.00 0.00 63.50 61.55 3n59 n PRO 96 Cb 0.55 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n59 s LEU 97 N -2.93 1.37 -0.19 2.45 2.96 -1.26 -1.52 118.68 119.56 3n59 s LEU 97 Ca 0.75 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 3n59 s LEU 97 Cb -0.36 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 3n59 s LEU 97 CO 0.49 -0.08 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.74 3n59 s ILE 98 N 1.48 3.31 -0.08 6.68 1.09 -0.35 -0.13 121.20 133.20 3n59 s ILE 98 Ca 0.02 -0.53 -0.23 0.00 -1.10 0.00 0.00 60.65 58.80 3n59 s ILE 98 Cb -0.13 -2.47 -0.03 0.00 -1.06 0.00 0.00 42.46 38.77 3n59 s ILE 98 CO -0.07 0.46 0.71 -0.70 -0.10 0.00 0.00 174.94 175.24 3n59 s GLU 99 N 1.05 4.42 -0.07 2.79 2.12 -0.11 -0.59 118.70 128.31 3n59 s GLU 99 Ca 0.00 0.88 0.04 0.00 0.36 0.00 0.00 54.97 56.25 3n59 s GLU 99 Cb -0.15 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 3n59 s GLU 99 CO -0.01 0.03 -0.21 0.08 -0.54 0.00 0.00 175.26 174.61 3n59 s VAL 100 N 0.92 1.78 -0.03 3.70 1.01 0.30 -0.15 120.40 127.93 3n59 s VAL 100 Ca 0.37 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3n59 s VAL 100 Cb -0.18 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3n59 s VAL 100 CO 0.17 0.50 -0.18 -1.00 0.00 0.00 0.00 175.10 174.60 3n59 s HIS 101 N 0.17 1.68 -0.07 5.22 3.76 0.65 -4.19 115.29 122.52 3n59 s HIS 101 Ca -0.10 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.18 3n59 s HIS 101 Cb -0.15 -1.11 -0.16 0.00 1.11 0.00 0.00 32.58 32.27 3n59 s HIS 101 CO 0.05 -0.11 0.80 0.82 -0.85 0.00 0.00 174.74 175.45 3n59 h ILE 102 N 5.03 0.92 -3.89 0.60 2.04 -1.86 -2.62 117.51 117.72 3n59 h ILE 102 Ca -0.34 -1.28 -0.50 0.00 1.00 0.00 0.00 64.86 63.74 3n59 h ILE 102 Cb 1.16 1.59 0.05 0.00 -0.74 0.00 0.00 36.82 38.88 3n59 h ILE 102 CO 0.48 0.26 0.24 -0.94 0.00 0.00 0.00 178.15 178.18 3n59 s SER 103 N -5.59 6.10 -0.64 1.72 1.04 -1.26 -1.67 113.70 113.40 3n59 s SER 103 Ca -0.12 1.07 -0.27 0.00 0.48 0.00 0.00 55.95 57.10 3n59 s SER 103 Cb -0.00 -2.22 -0.00 0.00 0.10 0.00 0.00 66.02 63.90 3n59 s SER 103 CO 0.47 -0.79 1.67 0.21 0.98 0.00 0.00 173.24 175.77 3n59 s ASN 104 N -4.18 5.59 0.20 7.02 3.84 -1.26 -2.46 114.94 123.69 3n59 s ASN 104 Ca 0.51 0.14 0.17 0.00 0.21 0.00 0.00 52.86 53.89 3n59 s ASN 104 Cb -0.11 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.88 3n59 s ASN 104 CO 0.48 -2.17 1.53 0.55 -2.79 0.00 0.00 177.10 174.71 3n59 n VAL 105 N 6.96 1.13 1.01 -5.21 3.14 -1.26 -1.74 118.33 122.36 3n59 n VAL 105 Ca 0.15 0.46 0.11 0.00 -2.96 0.00 0.00 64.34 62.10 3n59 n VAL 105 Cb 0.51 -1.40 0.05 0.00 -1.06 0.00 0.00 33.84 31.94 3n59 n VAL 105 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3n59 n HIS 106 N -2.01 0.00 -0.30 1.45 8.25 -1.26 -4.07 115.22 117.28 3n59 n HIS 106 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 3n59 n HIS 106 Cb 0.11 -0.10 0.32 0.00 1.12 0.00 0.00 29.99 31.45 3n59 n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n59 n ALA 107 N -1.35 2.50 -2.75 -1.41 0.00 -0.71 -4.93 120.51 111.86 3n59 n ALA 107 Ca 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.20 3n59 n ALA 107 Cb 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3n59 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n59 n ARG 108 N 1.50 2.91 -1.36 0.00 1.74 -1.26 -5.09 116.66 115.10 3n59 n ARG 108 Ca 0.24 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.00 3n59 n ARG 108 Cb 0.64 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.17 3n59 n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n59 s GLU 109 N 4.97 2.27 0.31 5.56 8.01 -1.26 -4.96 118.70 133.60 3n59 s GLU 109 Ca 0.00 1.33 0.08 0.00 0.01 0.00 0.00 54.97 56.39 3n59 s GLU 109 Cb 0.00 -1.89 0.51 0.00 -4.31 0.00 0.00 34.13 28.44 3n59 s GLU 109 CO 0.00 -1.66 1.73 1.49 0.01 0.00 0.00 175.26 176.83 3n59 h GLU 110 N -0.79 0.19 0.00 1.61 4.22 -1.96 -3.02 114.58 114.83 3n59 h GLU 110 Ca -0.45 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 58.91 3n59 h GLU 110 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3n59 h GLU 110 CO 0.51 0.57 0.00 0.27 -2.18 0.00 0.00 179.01 178.17 3n59 h PHE 111 N 0.16 0.00 0.00 0.92 -5.15 -1.95 -2.37 116.94 108.55 3n59 h PHE 111 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3n59 h PHE 111 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.95 3n59 h PHE 111 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 3n59 h ARG 112 N 0.00 0.00 -0.00 6.09 3.08 -1.80 -3.27 114.38 118.47 3n59 h ARG 112 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3n59 h ARG 112 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3n59 h ARG 112 CO 0.00 0.00 -0.05 0.54 -1.07 0.00 0.00 179.97 179.39 3n59 n ARG 113 N -2.36 0.45 -4.43 0.04 1.74 -0.89 -4.69 116.66 106.53 3n59 n ARG 113 Ca 0.04 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 3n59 n ARG 113 Cb 0.39 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.23 3n59 n ARG 113 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3n59 s HIS 114 N -2.60 3.10 -0.05 -1.55 2.46 -1.24 -5.05 115.29 110.36 3n59 s HIS 114 Ca 0.27 0.11 0.01 0.00 0.47 0.00 0.00 55.06 55.91 3n59 s HIS 114 Cb 0.20 -1.79 0.02 0.00 -0.13 0.00 0.00 32.58 30.88 3n59 s HIS 114 CO 0.48 0.38 -0.04 0.45 -2.47 0.00 0.00 174.74 173.55 3n59 s SER 115 N -0.72 1.08 0.43 9.88 0.15 -1.26 -4.44 113.70 118.81 3n59 s SER 115 Ca 0.11 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.87 3n59 s SER 115 Cb -0.12 -0.46 0.86 0.00 -1.71 0.00 0.00 66.02 64.60 3n59 s SER 115 CO 0.02 -0.08 1.80 1.88 1.20 0.00 0.00 173.24 178.06 3n59 h TYR 116 N 7.39 0.00 0.05 3.44 0.05 -1.61 -3.32 116.97 122.97 3n59 h TYR 116 Ca -0.35 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.15 3n59 h TYR 116 Cb 1.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.86 3n59 h TYR 116 CO 0.49 0.24 -1.52 -0.07 -1.05 0.00 0.00 178.16 176.25 3n59 h LEU 117 N 0.00 0.15 -0.50 3.88 3.38 -1.91 -3.40 115.31 116.92 3n59 h LEU 117 Ca -0.00 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.81 3n59 h LEU 117 Cb 0.79 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 3n59 h LEU 117 CO 0.03 1.21 0.08 0.28 0.09 0.00 0.00 178.44 180.13 3n59 h SER 118 N 0.03 -0.05 -0.25 -0.43 0.02 -1.93 -2.07 113.55 108.87 3n59 h SER 118 Ca -0.22 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3n59 h SER 118 Cb 1.96 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.63 3n59 h SER 118 CO 0.12 0.00 0.14 -0.65 -1.14 0.00 0.00 176.83 175.30 3n59 h PRO 119 N 0.21 0.38 -0.33 3.45 0.11 -1.78 -2.86 132.00 131.18 3n59 h PRO 119 Ca 0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3n59 h PRO 119 Cb 0.36 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3n59 h PRO 119 CO -0.35 0.29 0.00 0.44 -0.21 0.00 0.00 178.00 178.16 3n59 n ILE 120 N -4.45 0.41 -3.05 4.15 -6.64 -0.95 -4.94 119.36 103.89 3n59 n ILE 120 Ca 0.01 -0.71 -0.24 0.00 -1.77 0.00 0.00 62.75 60.04 3n59 n ILE 120 Cb 0.10 1.09 0.00 0.00 -1.44 0.00 0.00 39.64 39.39 3n59 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3n59 s ALA 121 N -1.59 3.66 0.09 -1.28 0.00 -0.82 -4.83 121.76 116.99 3n59 s ALA 121 Ca 0.37 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 3n59 s ALA 121 Cb 0.22 -2.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.01 3n59 s ALA 121 CO 0.32 -0.26 1.37 1.15 0.00 0.00 0.00 175.76 178.33 3n59 h THR 122 N 0.48 1.31 -2.84 0.00 2.02 -0.83 -3.48 112.91 109.56 3n59 h THR 122 Ca -0.48 -1.65 0.08 0.00 0.77 0.00 0.00 66.41 65.14 3n59 h THR 122 Cb 1.23 1.76 -0.07 0.00 -1.74 0.00 0.00 68.15 69.33 3n59 h THR 122 CO 0.60 0.52 0.29 -0.83 0.37 0.00 0.00 175.52 176.47 3n59 s GLY 123 N -3.84 -0.19 -0.03 2.16 0.00 -1.18 -5.05 107.32 99.19 3n59 s GLY 123 Ca -0.12 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.52 3n59 s GLY 123 CO 0.85 -0.03 -0.05 0.14 0.00 0.00 0.00 173.10 174.01 3n59 s VAL 124 N -3.74 0.52 -0.15 1.40 1.01 -1.26 -0.93 120.40 117.26 3n59 s VAL 124 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3n59 s VAL 124 Cb -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3n59 s VAL 124 CO 0.03 0.21 -0.18 -0.63 0.00 0.00 0.00 175.10 174.53 3n59 s ILE 125 N 0.66 2.45 -0.01 2.22 1.01 0.79 -4.96 121.20 123.36 3n59 s ILE 125 Ca -0.09 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3n59 s ILE 125 Cb -0.12 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 3n59 s ILE 125 CO 0.00 0.53 -0.08 -0.69 0.00 0.00 0.00 174.94 174.70 3n59 s VAL 126 N 0.78 0.62 0.00 2.92 1.01 -1.26 -0.25 120.40 124.22 3n59 s VAL 126 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3n59 s VAL 126 Cb -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3n59 s VAL 126 CO -0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3n59 n GLY 127 N 2.96 0.52 1.33 4.51 0.00 -0.99 -4.83 105.19 108.70 3n59 n GLY 127 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3n59 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n59 n LEU 128 N 0.00 3.91 0.00 0.99 4.77 -1.24 -4.58 117.00 120.85 3n59 n LEU 128 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 3n59 n LEU 128 Cb 0.08 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3n59 n LEU 128 CO 0.00 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3n59 n GLY 129 N 1.16 0.33 0.30 -0.72 0.00 -0.67 -3.55 105.19 102.04 3n59 n GLY 129 Ca 0.22 -0.88 0.15 0.00 0.00 0.00 0.00 46.02 45.50 3n59 n GLY 129 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3n59 h ILE 130 N 0.00 0.58 0.00 -0.61 -0.00 -1.93 -1.59 117.51 113.95 3n59 h ILE 130 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3n59 h ILE 130 Cb 0.00 0.97 0.00 0.00 -0.00 0.00 0.00 36.82 37.79 3n59 h ILE 130 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 178.15 177.54 3n59 h GLN 131 N 0.00 0.00 -0.77 0.16 4.15 -1.98 -2.98 115.11 113.69 3n59 h GLN 131 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.48 3n59 h GLN 131 Cb 0.08 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 3n59 h GLN 131 CO -0.00 0.00 0.51 0.78 -1.93 0.00 0.00 178.83 178.19 3n59 h GLY 132 N 2.19 1.07 0.96 2.39 0.00 -1.38 -0.70 103.07 107.60 3n59 h GLY 132 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3n59 h GLY 132 CO 0.00 0.30 0.18 -0.97 0.00 0.00 0.00 176.54 176.05 3n59 h TYR 133 N 0.91 0.73 -0.06 5.60 -1.99 -1.73 -1.59 116.97 118.84 3n59 h TYR 133 Ca 0.32 -0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.86 3n59 h TYR 133 Cb 0.11 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 3n59 h TYR 133 CO -0.00 0.63 -0.52 -0.07 -0.00 0.00 0.00 178.16 178.20 3n59 h LEU 134 N 0.63 0.17 -0.42 3.88 3.38 -1.53 -0.85 115.31 120.56 3n59 h LEU 134 Ca 0.16 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3n59 h LEU 134 Cb 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3n59 h LEU 134 CO -0.01 0.66 -0.78 -0.07 0.09 0.00 0.00 178.44 178.33 3n59 h LEU 135 N 0.12 0.18 -0.68 1.67 3.38 -1.12 -2.25 115.31 116.63 3n59 h LEU 135 Ca 0.00 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3n59 h LEU 135 Cb 0.96 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3n59 h LEU 135 CO 0.08 0.89 -0.19 0.00 0.09 0.00 0.00 178.44 179.31 3n59 h ALA 136 N 1.10 0.86 -0.82 1.53 0.00 -0.91 -2.02 119.26 119.01 3n59 h ALA 136 Ca -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3n59 h ALA 136 Cb 1.37 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3n59 h ALA 136 CO 0.11 0.64 0.34 -0.07 0.00 0.00 0.00 179.25 180.27 3n59 h LEU 137 N 0.73 1.11 -0.64 0.00 3.38 -1.10 -2.74 115.31 116.05 3n59 h LEU 137 Ca 0.11 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3n59 h LEU 137 Cb 0.71 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3n59 h LEU 137 CO 0.05 0.97 -0.23 -0.09 0.09 0.00 0.00 178.44 179.23 3n59 h ARG 138 N 1.18 0.82 -0.47 1.13 2.43 -1.21 -1.18 114.38 117.10 3n59 h ARG 138 Ca 0.27 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3n59 h ARG 138 Cb 0.20 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3n59 h ARG 138 CO -0.03 0.97 0.26 -0.92 -1.51 0.00 0.00 179.97 178.75 3n59 h TYR 139 N 0.71 0.49 -0.46 2.20 3.20 -1.30 -2.06 116.97 119.74 3n59 h TYR 139 Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3n59 h TYR 139 Cb 0.76 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3n59 h TYR 139 CO 0.04 0.27 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.72 3n59 h LEU 140 N 0.52 0.77 -0.78 2.82 3.38 -1.20 -2.67 115.31 118.15 3n59 h LEU 140 Ca 0.19 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3n59 h LEU 140 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3n59 h LEU 140 CO -0.10 0.86 -0.14 0.00 0.09 0.00 0.00 178.44 179.15 3n59 h ALA 141 N 1.22 0.96 0.00 1.53 0.00 -1.02 -1.93 119.26 120.02 3n59 h ALA 141 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3n59 h ALA 141 Cb 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3n59 h ALA 141 CO 0.03 0.61 0.00 1.49 0.00 0.00 0.00 179.25 181.38 3n59 h GLU 142 N 0.70 0.00 -0.13 0.00 4.57 -1.21 -3.10 114.58 115.41 3n59 h GLU 142 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3n59 h GLU 142 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3n59 h GLU 142 CO 0.04 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.59 3n59 n HIS 143 N -2.56 0.15 1.78 0.92 8.25 -1.02 -5.11 115.22 117.63 3n59 n HIS 143 Ca 0.04 -0.11 0.15 0.00 -0.26 0.00 0.00 57.72 57.54 3n59 n HIS 143 Cb 0.40 -0.00 0.76 0.00 1.12 0.00 0.00 29.99 32.27 3n59 n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31