#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbn n ASP 2 N 0.00 0.00 -2.74 0.00 8.00 -1.26 -4.78 116.55 115.77 2bbn n ASP 2 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2bbn n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2bbn n ASP 2 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2bbn n GLN 3 N 13.29 -2.67 0.00 -1.24 7.27 -1.26 -4.65 117.38 128.11 2bbn n GLN 3 Ca 0.00 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.52 2bbn n GLN 3 Cb 0.00 -5.06 0.00 0.00 2.41 0.00 0.00 30.24 27.59 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2bbn n LEU 4 N -3.03 0.00 0.00 1.69 7.94 -1.26 -5.09 117.00 117.25 2bbn n LEU 4 Ca -0.08 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 2bbn n LEU 4 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2bbn n LEU 4 CO 0.25 0.13 0.00 0.35 -1.11 0.00 0.00 177.39 177.01 2bbn n THR 5 N 0.00 0.00 -1.15 1.96 -2.24 -1.26 -4.66 114.28 106.93 2bbn n THR 5 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2bbn n THR 5 Cb 0.38 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 2bbn n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 6 N 0.00 -1.60 -0.00 -0.78 1.02 -1.26 -4.81 120.64 113.21 2bbn n GLU 6 Ca 0.00 0.68 -0.01 0.00 -0.02 0.00 0.00 57.16 57.81 2bbn n GLU 6 Cb 0.00 -4.83 -0.00 0.00 -0.02 0.00 0.00 31.44 26.58 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 7 N 0.00 -0.06 -0.95 3.49 5.08 -2.00 -3.06 114.58 117.07 2bbn h GLU 7 Ca -0.19 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2bbn h GLU 7 Cb 0.89 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.06 2bbn h GLU 7 CO 0.27 -0.04 0.58 0.37 -1.00 0.00 0.00 179.01 179.19 2bbn h GLN 8 N -0.63 0.86 -0.03 2.33 -0.00 -1.97 -1.62 115.11 114.04 2bbn h GLN 8 Ca -0.01 -0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.63 2bbn h GLN 8 Cb 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 27.48 27.28 2bbn h GLN 8 CO 0.01 0.57 -0.30 0.82 0.00 0.00 0.00 178.83 179.93 2bbn h ILE 9 N 0.89 0.33 -0.52 2.39 2.04 -1.95 -0.67 117.51 120.03 2bbn h ILE 9 Ca 0.49 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.44 2bbn h ILE 9 Cb 0.54 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2bbn h ILE 9 CO -0.29 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.21 2bbn h ALA 10 N 0.35 2.09 -1.19 1.87 0.00 -1.20 0.08 119.26 121.25 2bbn h ALA 10 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bbn h ALA 10 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bbn h ALA 10 CO -0.28 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.16 2bbn n GLU 11 N -4.46 0.00 -0.34 0.00 -0.58 -0.29 -1.15 120.64 113.82 2bbn n GLU 11 Ca 0.08 0.30 0.06 0.00 -0.42 0.00 0.00 57.16 57.18 2bbn n GLU 11 Cb 0.37 -1.21 0.22 0.00 -0.57 0.00 0.00 31.44 30.25 2bbn n GLU 11 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2bbn h PHE 12 N 0.00 1.05 -0.85 -0.32 -0.00 -1.48 0.49 116.94 115.84 2bbn h PHE 12 Ca 0.00 0.03 0.19 0.00 -0.00 0.00 0.00 57.97 58.19 2bbn h PHE 12 Cb 0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 35.95 35.56 2bbn h PHE 12 CO 0.11 0.42 0.57 -0.22 -0.00 0.00 0.00 178.31 179.19 2bbn h LYS 13 N 0.93 0.36 -0.49 6.09 3.64 -1.00 0.39 116.57 126.48 2bbn h LYS 13 Ca 0.47 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 2bbn h LYS 13 Cb 0.45 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2bbn h LYS 13 CO -0.26 0.24 0.12 1.49 -2.27 0.00 0.00 179.45 178.76 2bbn h GLU 14 N 0.37 0.78 -0.91 1.90 4.81 0.15 -2.33 114.58 119.35 2bbn h GLU 14 Ca 0.43 -0.19 0.25 0.00 -0.13 0.00 0.00 59.36 59.73 2bbn h GLU 14 Cb 1.11 -0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.25 2bbn h GLU 14 CO -0.14 0.76 0.31 0.00 -0.73 0.00 0.00 179.01 179.21 2bbn h ALA 15 N 0.99 1.43 0.73 2.92 0.00 0.09 0.49 119.26 125.91 2bbn h ALA 15 Ca 0.15 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2bbn h ALA 15 Cb 0.32 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bbn h ALA 15 CO 0.00 -0.48 -0.35 0.74 0.00 0.00 0.00 179.25 179.16 2bbn h PHE 16 N 0.24 -0.91 -1.20 0.00 0.04 -1.22 0.42 116.94 114.31 2bbn h PHE 16 Ca 0.59 -0.02 0.36 0.00 2.80 0.00 0.00 57.97 61.70 2bbn h PHE 16 Cb 1.23 0.30 -0.10 0.00 2.20 0.00 0.00 35.95 39.58 2bbn h PHE 16 CO -0.21 -0.55 0.79 0.77 -0.60 0.00 0.00 178.31 178.51 2bbn h SER 17 N -1.10 0.30 0.69 2.17 0.02 -0.70 0.78 113.55 115.70 2bbn h SER 17 Ca -0.10 0.09 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 2bbn h SER 17 Cb 0.78 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2bbn h SER 17 CO 0.17 -0.04 -1.34 0.25 -1.14 0.00 0.00 176.83 174.73 2bbn h LEU 18 N 0.21 0.16 -3.68 5.07 5.85 -0.71 -3.30 115.31 118.90 2bbn h LEU 18 Ca 0.70 -0.21 -0.47 0.00 0.84 0.00 0.00 57.88 58.73 2bbn h LEU 18 Cb 2.11 -0.05 -0.22 0.00 0.37 0.00 0.00 40.66 42.87 2bbn h LEU 18 CO -0.31 1.17 0.61 0.33 -0.34 0.00 0.00 178.44 179.91 2bbn n PHE 19 N -3.33 2.37 -2.94 1.25 7.35 0.26 -4.53 117.46 117.89 2bbn n PHE 19 Ca -0.09 -2.26 -0.13 0.00 -0.76 0.00 0.00 57.45 54.21 2bbn n PHE 19 Cb 1.00 -1.10 -0.01 0.00 0.35 0.00 0.00 39.48 39.72 2bbn n PHE 19 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2bbn n ASP 20 N -0.40 -2.13 0.04 -2.13 9.92 -0.56 -4.89 116.55 116.39 2bbn n ASP 20 Ca 0.46 -2.91 0.03 0.00 -0.53 0.00 0.00 54.79 51.84 2bbn n ASP 20 Cb 0.81 0.96 0.14 0.00 -0.64 0.00 0.00 41.12 42.39 2bbn n ASP 20 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2bbn n LYS 21 N 2.23 0.03 0.00 -1.24 5.02 -1.26 0.05 118.16 122.99 2bbn n LYS 21 Ca 0.18 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 57.05 2bbn n LYS 21 Cb 0.56 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bbn n ASP 22 N -1.66 1.14 -3.04 4.39 8.00 -1.26 -4.98 116.55 119.14 2bbn n ASP 22 Ca -0.00 -1.07 -0.20 0.00 0.71 0.00 0.00 54.79 54.23 2bbn n ASP 22 Cb 0.05 0.79 0.07 0.00 -0.02 0.00 0.00 41.12 42.00 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 23 N 1.31 -0.28 0.01 0.44 0.00 0.11 -4.90 105.19 101.89 2bbn n GLY 23 Ca 0.05 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2bbn n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 24 N -2.20 0.69 -3.48 1.61 5.75 -1.26 -5.01 116.55 112.65 2bbn n ASP 24 Ca 0.01 -0.56 -0.23 0.00 -0.01 0.00 0.00 54.79 54.00 2bbn n ASP 24 Cb 0.55 1.04 0.05 0.00 -1.03 0.00 0.00 41.12 41.73 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 25 N 1.43 -1.09 3.29 6.12 0.00 -1.26 -5.00 105.19 108.67 2bbn n GLY 25 Ca 0.02 0.51 0.03 0.00 0.00 0.00 0.00 46.02 46.58 2bbn n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 26 N -3.38 -0.47 -0.65 2.61 -4.23 -1.26 -4.48 115.64 103.77 2bbn s THR 26 Ca 0.41 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.66 2bbn s THR 26 Cb -0.11 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.70 2bbn s THR 26 CO 0.81 0.00 1.88 -0.63 -0.54 0.00 0.00 174.62 176.14 2bbn s ILE 27 N 2.63 3.36 0.48 2.99 -1.09 -1.16 -4.83 121.20 123.59 2bbn s ILE 27 Ca 0.00 0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.59 2bbn s ILE 27 Cb -0.08 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 2bbn s ILE 27 CO -0.16 -0.91 0.16 -0.89 -1.23 0.00 0.00 174.94 171.91 2bbn s THR 28 N 9.25 1.73 -0.03 2.92 2.01 -1.26 -3.39 115.64 126.87 2bbn s THR 28 Ca 0.68 -1.78 0.24 0.00 0.31 0.00 0.00 61.69 61.14 2bbn s THR 28 Cb -0.12 -2.51 0.24 0.00 0.01 0.00 0.00 72.50 70.12 2bbn s THR 28 CO 0.18 0.00 1.72 0.71 -0.69 0.00 0.00 174.62 176.53 2bbn h THR 29 N 1.27 0.00 0.33 -0.82 1.35 -1.89 -1.82 112.91 111.33 2bbn h THR 29 Ca -0.42 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.43 2bbn h THR 29 Cb 1.28 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2bbn h THR 29 CO 0.69 0.00 -0.16 0.50 -0.25 0.00 0.00 175.52 176.31 2bbn h LYS 30 N 0.00 -0.43 0.00 4.72 3.64 -1.94 0.25 116.57 122.81 2bbn h LYS 30 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2bbn h LYS 30 Cb 0.10 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2bbn h LYS 30 CO 0.00 -0.28 0.00 0.93 -2.27 0.00 0.00 179.45 177.83 2bbn h GLU 31 N -0.80 0.00 0.00 1.90 3.07 -1.84 -1.20 114.58 115.71 2bbn h GLU 31 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2bbn h GLU 31 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2bbn h GLU 31 CO 0.07 0.00 -0.02 1.25 -1.40 0.00 0.00 179.01 178.92 2bbn h LEU 32 N 0.00 0.00 -1.34 1.33 5.85 -1.33 -2.55 115.31 117.27 2bbn h LEU 32 Ca 0.00 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.97 2bbn h LEU 32 Cb 0.31 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2bbn h LEU 32 CO 0.00 0.05 0.65 1.23 -0.34 0.00 0.00 178.44 180.03 2bbn h GLY 33 N -0.09 1.23 0.30 3.75 0.00 -0.54 0.96 103.07 108.67 2bbn h GLY 33 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2bbn h GLY 33 CO 0.00 -0.11 -0.14 -0.84 0.00 0.00 0.00 176.54 175.45 2bbn h THR 34 N 0.44 0.00 0.25 4.70 2.02 -1.35 -2.40 112.91 116.57 2bbn h THR 34 Ca 0.57 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 2bbn h THR 34 Cb 1.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2bbn h THR 34 CO -0.29 0.00 -0.12 0.58 0.37 0.00 0.00 175.52 176.06 2bbn h VAL 35 N -0.57 0.79 -0.87 3.16 2.07 -0.99 -2.77 116.25 117.07 2bbn h VAL 35 Ca -0.04 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.46 2bbn h VAL 35 Cb 0.30 0.91 -0.16 0.00 -1.52 0.00 0.00 31.29 30.82 2bbn h VAL 35 CO 0.07 0.05 -0.16 -0.03 0.02 0.00 0.00 177.57 177.51 2bbn h MET 36 N -0.43 0.01 -0.16 1.57 -1.53 0.80 0.38 114.93 115.57 2bbn h MET 36 Ca -0.03 -0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.27 2bbn h MET 36 Cb 0.33 -0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.33 2bbn h MET 36 CO 0.06 0.01 -0.14 -0.09 0.14 0.00 0.00 176.91 176.89 2bbn h ARG 37 N 0.01 -0.15 0.00 0.39 2.43 -1.19 0.67 114.38 116.55 2bbn h ARG 37 Ca 0.44 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2bbn h ARG 37 Cb 0.72 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2bbn h ARG 37 CO -0.87 -0.10 0.00 0.45 -1.51 0.00 0.00 179.97 177.94 2bbn n SER 38 N -5.29 0.00 -0.11 -3.80 2.88 0.12 -2.19 113.62 105.23 2bbn n SER 38 Ca -0.02 0.23 -0.20 0.00 -1.33 0.00 0.00 58.87 57.55 2bbn n SER 38 Cb 0.21 -0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 2bbn n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbn n LEU 39 N -1.24 1.93 -2.68 2.46 7.94 0.22 -4.95 117.00 120.69 2bbn n LEU 39 Ca 0.00 0.37 -0.04 0.00 -1.11 0.00 0.00 56.01 55.23 2bbn n LEU 39 Cb 0.00 -0.82 0.09 0.00 0.53 0.00 0.00 43.42 43.23 2bbn n LEU 39 CO 0.00 0.18 0.64 0.61 -1.11 0.00 0.00 177.39 177.71 2bbn n GLY 40 N 1.37 -0.87 3.67 -3.96 0.00 -0.13 -5.11 105.19 100.17 2bbn n GLY 40 Ca -0.35 0.53 0.07 0.00 0.00 0.00 0.00 46.02 46.27 2bbn n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bbn n GLN 41 N 0.25 -1.00 -3.52 1.61 6.02 -0.96 -4.92 117.38 114.87 2bbn n GLN 41 Ca -0.07 0.66 -0.08 0.00 -0.01 0.00 0.00 57.00 57.50 2bbn n GLN 41 Cb 0.74 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.76 2bbn n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bbn s ASN 42 N -4.46 -0.33 0.53 1.08 2.20 -1.26 -4.35 114.94 108.34 2bbn s ASN 42 Ca 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 2bbn s ASN 42 Cb 0.00 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.60 2bbn s ASN 42 CO 0.00 -0.56 0.00 -0.81 -2.94 0.00 0.00 177.10 172.79 2bbn n PRO 43 N -0.21 -0.41 -1.58 3.55 -0.04 -1.26 -4.94 135.00 130.10 2bbn n PRO 43 Ca -0.07 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.07 2bbn n PRO 43 Cb 0.61 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.13 2bbn n PRO 43 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bbn s THR 44 N -0.53 3.72 0.23 0.52 -1.32 -1.26 -4.91 115.64 112.09 2bbn s THR 44 Ca 0.00 0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 61.04 2bbn s THR 44 Cb 0.00 -3.23 0.20 0.00 -1.51 0.00 0.00 72.50 67.96 2bbn s THR 44 CO 0.00 -0.67 1.84 -0.08 -2.21 0.00 0.00 174.62 173.50 2bbn h GLU 45 N -0.56 0.87 -0.95 7.08 4.81 -2.01 -1.49 114.58 122.33 2bbn h GLU 45 Ca -0.44 -0.05 0.29 0.00 -0.13 0.00 0.00 59.36 59.02 2bbn h GLU 45 Cb 1.22 -0.20 -0.15 0.00 0.63 0.00 0.00 28.75 30.26 2bbn h GLU 45 CO 0.55 0.58 0.41 0.00 -0.73 0.00 0.00 179.01 179.81 2bbn h ALA 46 N 1.39 1.65 -0.16 2.92 0.00 -2.00 0.20 119.26 123.26 2bbn h ALA 46 Ca 0.36 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2bbn h ALA 46 Cb 0.18 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2bbn h ALA 46 CO -0.18 -0.54 -0.01 0.93 0.00 0.00 0.00 179.25 179.45 2bbn h GLU 47 N 0.25 0.29 -0.79 0.00 5.08 -1.63 -2.14 114.58 115.63 2bbn h GLU 47 Ca 0.66 -0.10 0.18 0.00 -1.00 0.00 0.00 59.36 59.10 2bbn h GLU 47 Cb 1.45 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.56 2bbn h GLU 47 CO -0.65 0.53 0.22 -0.07 -1.00 0.00 0.00 179.01 178.05 2bbn h LEU 48 N 0.01 0.06 -1.22 1.33 -0.00 -0.53 0.98 115.31 115.95 2bbn h LEU 48 Ca 0.04 0.16 -0.08 0.00 -0.00 0.00 0.00 57.88 58.00 2bbn h LEU 48 Cb 0.41 0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2bbn h LEU 48 CO 0.01 -0.05 -0.36 -0.61 -0.00 0.00 0.00 178.44 177.43 2bbn h GLN 49 N 0.28 0.00 0.23 1.13 -0.00 -1.23 -2.70 115.11 112.83 2bbn h GLN 49 Ca 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.10 2bbn h GLN 49 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.32 2bbn h GLN 49 CO -0.54 0.36 -0.11 0.22 0.00 0.00 0.00 178.83 178.76 2bbn h ASP 50 N 0.00 -0.27 -0.50 -0.69 3.58 0.16 -2.42 116.42 116.28 2bbn h ASP 50 Ca -0.00 -0.26 0.14 0.00 0.42 0.00 0.00 57.03 57.33 2bbn h ASP 50 Cb 0.72 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 2bbn h ASP 50 CO 0.05 0.21 0.36 0.00 -2.88 0.00 0.00 179.24 176.98 2bbn h MET 51 N -0.84 0.01 -0.24 0.28 -0.00 -0.86 0.10 114.93 113.38 2bbn h MET 51 Ca -0.03 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.50 2bbn h MET 51 Cb 0.51 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2bbn h MET 51 CO 0.05 0.00 -0.55 0.82 -0.00 0.00 0.00 176.91 177.24 2bbn h ILE 52 N 0.01 1.30 0.00 -0.10 5.03 -1.39 -2.87 117.51 119.48 2bbn h ILE 52 Ca 0.24 -1.76 0.00 0.00 -0.12 0.00 0.00 64.86 63.22 2bbn h ILE 52 Cb 0.95 1.70 0.00 0.00 -3.03 0.00 0.00 36.82 36.44 2bbn h ILE 52 CO -0.00 0.56 0.00 0.59 -0.68 0.00 0.00 178.15 178.62 2bbn n ASN 53 N -3.98 0.81 0.17 1.72 3.02 0.21 -1.95 115.26 115.26 2bbn n ASN 53 Ca -0.04 0.60 0.04 0.00 -0.03 0.00 0.00 54.58 55.15 2bbn n ASN 53 Cb 0.62 -0.81 0.29 0.00 -0.61 0.00 0.00 39.78 39.26 2bbn n ASN 53 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2bbn h GLU 54 N 0.00 0.00 0.00 3.52 4.81 -0.91 -3.33 114.58 118.67 2bbn h GLU 54 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2bbn h GLU 54 Cb 0.67 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.99 2bbn h GLU 54 CO 0.00 0.44 -2.23 0.28 -0.73 0.00 0.00 179.01 176.76 2bbn n VAL 55 N -3.58 1.24 -1.59 0.32 0.31 -1.17 -4.94 118.33 108.92 2bbn n VAL 55 Ca -0.00 -0.45 -0.54 0.00 -0.01 0.00 0.00 64.34 63.33 2bbn n VAL 55 Cb 0.54 -1.32 -0.07 0.00 -0.91 0.00 0.00 33.84 32.08 2bbn n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2bbn n ASP 56 N -3.23 2.37 0.00 4.52 8.00 -0.82 -4.87 116.55 122.52 2bbn n ASP 56 Ca -0.39 0.79 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2bbn n ASP 56 Cb 0.90 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bbn n ALA 57 N 7.38 -0.07 0.15 2.24 0.00 -1.26 -3.76 120.51 125.18 2bbn n ALA 57 Ca 0.33 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.87 2bbn n ALA 57 Cb 0.18 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.17 2bbn n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bbn n ASP 58 N -1.87 0.51 -0.20 0.00 5.75 -1.26 -4.79 116.55 114.69 2bbn n ASP 58 Ca 0.00 0.73 0.00 0.00 -0.01 0.00 0.00 54.79 55.51 2bbn n ASP 58 Cb 0.00 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.29 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 59 N -1.31 1.01 0.07 6.12 0.00 -1.25 -4.96 105.19 104.87 2bbn n GLY 59 Ca -0.01 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.72 2bbn n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bbn n ASN 60 N 0.91 0.43 0.00 1.61 4.05 -1.26 -4.86 115.26 116.15 2bbn n ASN 60 Ca 0.00 0.56 0.00 0.00 0.45 0.00 0.00 54.58 55.59 2bbn n ASN 60 Cb 0.28 -0.67 0.00 0.00 1.23 0.00 0.00 39.78 40.62 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bbn n GLY 61 N 0.87 1.49 3.26 8.20 0.00 -1.26 -4.93 105.19 112.81 2bbn n GLY 61 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2bbn n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 62 N -2.86 0.10 -0.37 2.61 -4.23 -1.26 -4.77 115.64 104.85 2bbn s THR 62 Ca 0.00 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 59.55 2bbn s THR 62 Cb 0.00 -1.12 -0.00 0.00 1.34 0.00 0.00 72.50 72.72 2bbn s THR 62 CO 0.00 -0.44 0.40 -0.63 -0.54 0.00 0.00 174.62 173.41 2bbn s ILE 63 N -3.30 5.13 0.00 2.99 1.09 -1.22 -4.93 121.20 120.96 2bbn s ILE 63 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.52 2bbn s ILE 63 Cb 0.02 -3.90 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 2bbn s ILE 63 CO -0.08 -0.20 0.00 0.47 -0.10 0.00 0.00 174.94 175.02 2bbn n ASP 64 N 5.49 -0.26 0.09 3.58 9.92 -1.26 -2.99 116.55 131.13 2bbn n ASP 64 Ca -0.08 -0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 53.95 2bbn n ASP 64 Cb 0.49 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.94 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2bbn h PHE 65 N -0.73 -0.30 -0.45 1.24 0.04 -1.98 -2.88 116.94 111.89 2bbn h PHE 65 Ca 0.00 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2bbn h PHE 65 Cb 0.00 0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 2bbn h PHE 65 CO 0.00 -0.18 0.14 -1.00 -0.60 0.00 0.00 178.31 176.68 2bbn h PRO 66 N -1.08 0.30 -0.51 1.51 0.13 -1.99 -1.92 132.00 128.44 2bbn h PRO 66 Ca -0.03 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.18 2bbn h PRO 66 Cb 0.26 -0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.23 2bbn h PRO 66 CO 0.05 0.20 -0.11 0.93 -0.23 0.00 0.00 178.00 178.84 2bbn h GLU 67 N 0.31 0.01 -0.49 0.86 5.08 -1.93 0.91 114.58 119.33 2bbn h GLU 67 Ca 0.21 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 2bbn h GLU 67 Cb 0.23 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 2bbn h GLU 67 CO -0.23 0.01 -0.32 0.35 -1.00 0.00 0.00 179.01 177.82 2bbn h PHE 68 N 0.01 -0.87 -0.41 4.33 3.57 -1.11 0.95 116.94 123.40 2bbn h PHE 68 Ca 0.25 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.86 2bbn h PHE 68 Cb 0.38 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2bbn h PHE 68 CO -0.42 -0.37 0.28 -0.07 -2.23 0.00 0.00 178.31 175.50 2bbn h LEU 69 N -0.20 0.29 -0.47 0.59 3.38 -0.83 -0.98 115.31 117.10 2bbn h LEU 69 Ca 0.20 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2bbn h LEU 69 Cb 0.54 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2bbn h LEU 69 CO -0.60 0.19 -0.18 0.74 0.09 0.00 0.00 178.44 178.68 2bbn h THR 70 N 0.34 1.27 -0.88 0.22 2.02 0.30 -1.19 112.91 114.99 2bbn h THR 70 Ca 0.18 -1.33 0.08 0.00 0.77 0.00 0.00 66.41 66.10 2bbn h THR 70 Cb 0.28 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 2bbn h THR 70 CO -0.04 0.46 0.57 -0.03 0.37 0.00 0.00 175.52 176.85 2bbn h MET 71 N 0.79 0.91 0.00 6.66 1.85 0.11 0.15 114.93 125.40 2bbn h MET 71 Ca 0.11 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 2bbn h MET 71 Cb 0.75 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.58 2bbn h MET 71 CO 0.06 0.60 -0.05 0.52 -0.40 0.00 0.00 176.91 177.65 2bbn h MET 72 N 0.94 0.00 0.15 0.39 2.07 -1.22 -3.28 114.93 113.98 2bbn h MET 72 Ca 0.39 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 58.01 2bbn h MET 72 Cb 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.02 2bbn h MET 72 CO -0.15 0.00 -0.07 0.00 1.07 0.00 0.00 176.91 177.75 2bbn h ALA 73 N 2.17 -0.20 0.18 6.32 0.00 0.54 -3.35 119.26 124.92 2bbn h ALA 73 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2bbn h ALA 73 Cb 0.92 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2bbn h ALA 73 CO 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 179.25 178.72 2bbn h ARG 74 N -0.60 -0.27 -6.33 0.00 3.08 -1.54 -3.40 114.38 105.32 2bbn h ARG 74 Ca -0.02 0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2bbn h ARG 74 Cb 0.45 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2bbn h ARG 74 CO 0.03 -0.18 0.51 0.21 -1.07 0.00 0.00 179.97 179.48 2bbn s LYS 75 N -3.66 4.47 0.39 0.04 2.20 -1.24 -5.04 119.74 116.90 2bbn s LYS 75 Ca -0.04 1.45 0.08 0.00 -0.36 0.00 0.00 55.97 57.09 2bbn s LYS 75 Cb 0.01 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 2bbn s LYS 75 CO 0.14 -0.23 0.17 -1.64 -0.36 0.00 0.00 175.35 173.42 2bbn s MET 76 N 1.63 2.25 -0.06 4.03 -1.94 -1.26 -4.64 119.30 119.30 2bbn s MET 76 Ca 0.51 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 2bbn s MET 76 Cb -0.20 -2.03 0.08 0.00 2.01 0.00 0.00 34.83 34.68 2bbn s MET 76 CO 0.22 -0.06 1.34 1.17 -0.01 0.00 0.00 175.02 177.69 2bbn n LYS 77 N -1.21 1.17 0.00 2.03 4.81 -1.26 -4.46 118.16 119.24 2bbn n LYS 77 Ca -0.01 -0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.04 2bbn n LYS 77 Cb 0.64 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.53 2bbn n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bbn n ASP 78 N 0.52 0.00 -0.51 3.14 8.00 -1.26 -4.51 116.55 121.93 2bbn n ASP 78 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2bbn n ASP 78 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 2bbn n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2bbn n THR 79 N 0.00 0.02 -0.66 -3.53 -2.24 -1.26 -4.88 114.28 101.73 2bbn n THR 79 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2bbn n THR 79 Cb 0.00 -0.43 0.18 0.00 -2.10 0.00 0.00 70.33 67.98 2bbn n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bbn n ASP 80 N 0.10 -0.94 -4.87 3.42 2.03 -1.26 -4.97 116.55 110.06 2bbn n ASP 80 Ca 0.00 0.23 -0.31 0.00 0.52 0.00 0.00 54.79 55.23 2bbn n ASP 80 Cb 0.21 -1.32 0.01 0.00 -0.72 0.00 0.00 41.12 39.30 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2bbn s SER 81 N -2.36 6.25 -0.00 1.67 0.01 -1.26 -4.97 113.70 113.04 2bbn s SER 81 Ca 0.64 1.38 0.23 0.00 1.31 0.00 0.00 55.95 59.50 2bbn s SER 81 Cb -0.22 -2.45 0.66 0.00 0.21 0.00 0.00 66.02 64.22 2bbn s SER 81 CO 0.63 -0.83 1.55 -0.62 0.41 0.00 0.00 173.24 174.38 2bbn n GLU 82 N -2.64 2.72 0.23 12.44 1.02 -1.26 -4.28 120.64 128.87 2bbn n GLU 82 Ca 0.05 -2.68 0.16 0.00 -0.02 0.00 0.00 57.16 54.68 2bbn n GLU 82 Cb 0.54 -1.58 0.69 0.00 -0.02 0.00 0.00 31.44 31.07 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 83 N 4.35 0.00 0.02 3.49 5.08 -1.99 -1.99 114.58 123.54 2bbn h GLU 83 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 83 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2bbn h GLU 83 CO 0.00 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 178.93 2bbn h GLU 84 N 0.00 -0.03 -0.02 2.33 3.07 -2.00 -2.68 114.58 115.25 2bbn h GLU 84 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2bbn h GLU 84 Cb 0.36 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2bbn h GLU 84 CO 0.00 0.32 -0.09 0.82 -1.40 0.00 0.00 179.01 178.66 2bbn h ILE 85 N -1.00 1.08 0.50 3.13 5.03 -1.85 -1.97 117.51 122.43 2bbn h ILE 85 Ca -0.00 -0.36 -0.02 0.00 -0.12 0.00 0.00 64.86 64.36 2bbn h ILE 85 Cb 0.36 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 2bbn h ILE 85 CO 0.00 0.10 -0.24 -0.09 -0.68 0.00 0.00 178.15 177.25 2bbn h ARG 86 N 0.03 -0.64 -0.65 2.37 2.43 -1.46 -2.50 114.38 113.95 2bbn h ARG 86 Ca 0.01 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2bbn h ARG 86 Cb 0.18 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 2bbn h ARG 86 CO 0.01 -0.36 0.23 1.49 -1.51 0.00 0.00 179.97 179.83 2bbn h GLU 87 N -1.08 0.38 -0.82 0.20 4.57 -1.32 0.12 114.58 116.63 2bbn h GLU 87 Ca -0.07 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.19 2bbn h GLU 87 Cb 0.58 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 2bbn h GLU 87 CO 0.11 0.25 0.46 0.00 -1.18 0.00 0.00 179.01 178.65 2bbn h ALA 88 N 1.47 1.17 -0.30 2.92 0.00 -1.38 0.15 119.26 123.29 2bbn h ALA 88 Ca 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2bbn h ALA 88 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bbn h ALA 88 CO -0.35 0.08 0.11 0.35 0.00 0.00 0.00 179.25 179.44 2bbn h PHE 89 N 0.77 0.46 -0.80 0.00 3.57 -0.55 -2.73 116.94 117.66 2bbn h PHE 89 Ca 0.40 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2bbn h PHE 89 Cb 0.38 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2bbn h PHE 89 CO -0.07 0.45 0.46 -0.09 -2.23 0.00 0.00 178.31 176.84 2bbn h ARG 90 N 0.33 1.10 -0.62 1.11 2.43 -0.16 -2.40 114.38 116.17 2bbn h ARG 90 Ca 0.10 -0.11 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2bbn h ARG 90 Cb 0.19 -0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 2bbn h ARG 90 CO -0.01 0.79 0.18 0.28 -1.51 0.00 0.00 179.97 179.70 2bbn h VAL 91 N 1.10 0.68 -0.51 0.20 2.07 -0.47 -1.03 116.25 118.29 2bbn h VAL 91 Ca 0.28 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2bbn h VAL 91 Cb -0.01 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2bbn h VAL 91 CO -0.05 0.06 0.33 -0.26 0.02 0.00 0.00 177.57 177.67 2bbn h PHE 92 N 0.33 0.65 -1.91 1.57 -1.00 -1.15 -3.38 116.94 112.04 2bbn h PHE 92 Ca 0.32 0.01 -0.49 0.00 2.81 0.00 0.00 57.97 60.62 2bbn h PHE 92 Cb 0.46 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 2bbn h PHE 92 CO -0.21 0.42 1.43 -0.51 -1.61 0.00 0.00 178.31 177.82 2bbn s ASP 93 N -5.68 5.07 0.00 2.17 1.11 -0.39 -4.80 116.67 114.15 2bbn s ASP 93 Ca -0.13 0.61 0.00 0.00 0.18 0.00 0.00 52.55 53.21 2bbn s ASP 93 Cb 0.12 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2bbn s ASP 93 CO 0.74 -2.48 0.00 0.29 1.18 0.00 0.00 175.17 174.90 2bbn n LYS 94 N 9.09 0.00 0.00 8.23 5.02 -1.26 -4.92 118.16 134.32 2bbn n LYS 94 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2bbn n LYS 94 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2bbn n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2bbn n ASP 95 N -1.50 0.00 -4.44 4.39 5.68 -1.26 -4.58 116.55 114.84 2bbn n ASP 95 Ca 0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 54.79 53.83 2bbn n ASP 95 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 96 N 2.07 -0.17 3.84 6.12 0.00 -1.26 -4.88 105.19 110.90 2bbn n GLY 96 Ca 0.00 1.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.78 2bbn n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bbn s ASN 97 N 8.53 3.86 0.00 1.61 -0.87 -1.26 -4.10 114.94 122.70 2bbn s ASN 97 Ca 1.23 0.85 0.00 0.00 -1.57 0.00 0.00 52.86 53.37 2bbn s ASN 97 Cb -1.10 -1.36 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 2bbn s ASN 97 CO 0.50 -2.32 0.00 0.61 -2.57 0.00 0.00 177.10 173.32 2bbn n GLY 98 N -2.72 3.37 3.56 0.66 0.00 -1.26 -4.98 105.19 103.82 2bbn n GLY 98 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2bbn n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bbn s PHE 99 N -2.78 -0.21 0.15 1.61 -0.12 -1.26 -4.50 117.98 110.86 2bbn s PHE 99 Ca 0.00 0.13 -0.24 0.00 -0.05 0.00 0.00 56.93 56.77 2bbn s PHE 99 Cb 0.00 0.53 -0.08 0.00 -0.63 0.00 0.00 43.02 42.84 2bbn s PHE 99 CO 0.00 -0.34 0.72 0.42 -0.05 0.00 0.00 175.22 175.97 2bbn s ILE 100 N -2.70 4.46 0.40 -4.49 1.01 -0.78 -4.87 121.20 114.22 2bbn s ILE 100 Ca 0.08 1.57 0.06 0.00 0.00 0.00 0.00 60.65 62.36 2bbn s ILE 100 Cb -0.01 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 2bbn s ILE 100 CO -0.06 0.52 0.02 -0.44 0.00 0.00 0.00 174.94 174.98 2bbn s SER 101 N -1.16 3.58 0.00 3.58 0.01 -1.26 -3.42 113.70 115.03 2bbn s SER 101 Ca 0.34 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2bbn s SER 101 Cb -0.22 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2bbn s SER 101 CO 0.24 -0.50 0.68 0.00 0.41 0.00 0.00 173.24 174.07 2bbn n ALA 102 N -0.93 -0.15 -0.34 1.44 0.00 -1.26 -1.73 120.51 117.55 2bbn n ALA 102 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.57 2bbn n ALA 102 Cb 0.67 0.06 0.40 0.00 0.00 0.00 0.00 19.45 20.57 2bbn n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bbn h ALA 103 N -1.94 1.81 0.07 0.00 0.00 -1.98 -1.36 119.26 115.86 2bbn h ALA 103 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bbn h ALA 103 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bbn h ALA 103 CO 0.00 -0.31 -0.32 1.49 0.00 0.00 0.00 179.25 180.11 2bbn h GLU 104 N 0.54 -0.44 -0.11 0.00 4.81 -1.94 -2.27 114.58 115.18 2bbn h GLU 104 Ca 0.66 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.92 2bbn h GLU 104 Cb 1.28 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2bbn h GLU 104 CO -0.49 -0.29 0.07 1.25 -0.73 0.00 0.00 179.01 178.82 2bbn h LEU 105 N -0.45 0.13 -1.72 1.64 5.85 -0.63 -2.07 115.31 118.07 2bbn h LEU 105 Ca -0.00 -0.03 0.48 0.00 0.84 0.00 0.00 57.88 59.17 2bbn h LEU 105 Cb 0.45 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 2bbn h LEU 105 CO -0.17 0.12 1.09 -0.09 -0.34 0.00 0.00 178.44 179.05 2bbn h ARG 106 N 0.14 0.04 0.01 1.25 2.43 -1.05 0.65 114.38 117.84 2bbn h ARG 106 Ca 0.04 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2bbn h ARG 106 Cb 0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2bbn h ARG 106 CO -0.01 0.02 -0.01 1.25 -1.51 0.00 0.00 179.97 179.72 2bbn h HIS 107 N 0.04 -0.02 0.00 2.20 2.76 -0.78 -0.17 115.15 119.18 2bbn h HIS 107 Ca 0.84 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 59.01 2bbn h HIS 107 Cb 3.04 0.01 0.00 0.00 1.55 0.00 0.00 27.41 32.01 2bbn h HIS 107 CO -0.00 0.73 0.00 1.55 -1.30 0.00 0.00 177.93 178.91 2bbn n VAL 108 N -4.68 0.84 0.24 5.26 3.14 0.53 -2.19 118.33 121.48 2bbn n VAL 108 Ca -0.08 0.30 0.09 0.00 -2.96 0.00 0.00 64.34 61.69 2bbn n VAL 108 Cb 0.36 -1.25 -0.13 0.00 -1.06 0.00 0.00 33.84 31.77 2bbn n VAL 108 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2bbn n MET 109 N -2.28 0.74 0.12 1.45 2.00 0.20 -4.45 117.12 114.89 2bbn n MET 109 Ca 0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 57.70 57.36 2bbn n MET 109 Cb 0.21 -1.40 -0.15 0.00 0.00 0.00 0.00 33.22 31.88 2bbn n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2bbn h THR 110 N 0.00 1.31 -0.70 2.03 2.02 -0.52 -3.34 112.91 113.71 2bbn h THR 110 Ca 0.00 -2.59 0.11 0.00 0.77 0.00 0.00 66.41 64.70 2bbn h THR 110 Cb 0.71 2.94 -0.12 0.00 -1.74 0.00 0.00 68.15 69.94 2bbn h THR 110 CO 0.00 0.77 -0.38 0.78 0.37 0.00 0.00 175.52 177.07 2bbn h ASN 111 N 0.13 -1.33 -3.43 4.18 4.21 -1.72 -3.31 115.58 114.30 2bbn h ASN 111 Ca -0.22 0.26 -0.72 0.00 1.21 0.00 0.00 56.30 56.82 2bbn h ASN 111 Cb 2.02 0.66 -0.23 0.00 -1.12 0.00 0.00 38.32 39.64 2bbn h ASN 111 CO 0.25 -0.31 -0.41 -1.48 -1.29 0.00 0.00 177.43 174.19 2bbn s LEU 112 N -10.74 5.24 0.00 1.61 2.34 -1.25 -4.77 118.68 111.11 2bbn s LEU 112 Ca -0.14 -1.18 0.00 0.00 0.06 0.00 0.00 54.13 52.87 2bbn s LEU 112 Cb 0.16 -2.12 0.00 0.00 -0.56 0.00 0.00 46.19 43.68 2bbn s LEU 112 CO 0.69 -0.53 0.00 0.61 -1.06 0.00 0.00 176.35 176.06 2bbn n GLY 113 N 5.11 -1.48 1.80 -3.48 0.00 -1.25 -4.91 105.19 100.98 2bbn n GLY 113 Ca -0.12 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2bbn n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bbn n GLU 114 N 0.36 1.79 -2.22 1.61 1.02 -1.26 -4.31 120.64 117.64 2bbn n GLU 114 Ca 0.00 -1.71 -0.26 0.00 -0.02 0.00 0.00 57.16 55.17 2bbn n GLU 114 Cb 0.00 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 29.76 2bbn n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2bbn n LYS 115 N -0.12 3.46 -3.91 3.49 4.81 -1.26 -4.99 118.16 119.64 2bbn n LYS 115 Ca 0.33 -4.28 -0.26 0.00 -0.87 0.00 0.00 58.31 53.23 2bbn n LYS 115 Cb 0.88 -2.27 -0.17 0.00 0.02 0.00 0.00 35.03 33.49 2bbn n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2bbn s LEU 116 N -3.60 1.10 0.51 3.14 1.43 -1.26 -5.14 118.68 114.87 2bbn s LEU 116 Ca 0.50 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2bbn s LEU 116 Cb 0.41 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 2bbn s LEU 116 CO -0.09 -0.12 0.84 0.42 0.23 0.00 0.00 176.35 177.62 2bbn s THR 117 N 1.70 4.83 0.10 5.49 -4.23 -1.26 -4.97 115.64 117.30 2bbn s THR 117 Ca 0.04 0.33 0.19 0.00 -1.18 0.00 0.00 61.69 61.07 2bbn s THR 117 Cb -0.13 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 70.00 2bbn s THR 117 CO -0.07 -0.90 1.69 0.44 -0.54 0.00 0.00 174.62 175.24 2bbn h ASP 118 N 0.10 0.00 -0.07 3.99 3.32 -2.00 -3.14 116.42 118.62 2bbn h ASP 118 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 2bbn h ASP 118 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2bbn h ASP 118 CO 0.62 0.37 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.09 2bbn h GLU 119 N 0.00 0.17 -0.45 3.56 4.39 -2.00 -2.69 114.58 117.56 2bbn h GLU 119 Ca -0.00 -0.10 0.08 0.00 0.34 0.00 0.00 59.36 59.68 2bbn h GLU 119 Cb 0.97 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.56 2bbn h GLU 119 CO 0.05 0.65 0.05 1.49 -1.16 0.00 0.00 179.01 180.08 2bbn h GLU 120 N -0.28 0.16 0.08 2.33 4.57 -1.95 -2.06 114.58 117.43 2bbn h GLU 120 Ca 0.01 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2bbn h GLU 120 Cb 0.63 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 2bbn h GLU 120 CO 0.02 0.11 -0.20 0.28 -1.18 0.00 0.00 179.01 178.04 2bbn h VAL 121 N 0.17 0.54 -0.91 0.32 2.07 -1.56 -2.07 116.25 114.81 2bbn h VAL 121 Ca 0.23 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.00 2bbn h VAL 121 Cb 0.31 0.54 -0.16 0.00 -1.52 0.00 0.00 31.29 30.47 2bbn h VAL 121 CO -0.33 0.00 0.12 0.44 0.02 0.00 0.00 177.57 177.81 2bbn h ASP 122 N -0.36 -0.26 -0.97 0.57 5.19 -1.03 1.03 116.42 120.58 2bbn h ASP 122 Ca 0.03 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2bbn h ASP 122 Cb 0.40 0.38 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 2bbn h ASP 122 CO -0.13 -0.26 0.62 -0.33 -3.12 0.00 0.00 179.24 176.01 2bbn h GLU 123 N 0.09 1.30 -0.32 3.56 3.07 -1.01 -0.28 114.58 120.99 2bbn h GLU 123 Ca 0.56 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 59.28 2bbn h GLU 123 Cb 1.16 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 2bbn h GLU 123 CO -0.78 0.89 -0.00 0.52 -1.40 0.00 0.00 179.01 178.23 2bbn h MET 124 N 1.33 0.57 0.00 2.33 2.86 0.14 -2.04 114.93 120.12 2bbn h MET 124 Ca 0.35 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2bbn h MET 124 Cb -0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 2bbn h MET 124 CO -0.07 0.70 -0.16 0.82 1.06 0.00 0.00 176.91 179.26 2bbn h ILE 125 N 0.37 0.95 0.47 -1.22 2.04 -0.41 -1.86 117.51 117.85 2bbn h ILE 125 Ca 0.09 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2bbn h ILE 125 Cb 0.44 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2bbn h ILE 125 CO 0.02 0.16 -0.22 -0.09 0.00 0.00 0.00 178.15 178.01 2bbn h ARG 126 N 0.00 -0.61 -0.35 2.37 2.43 -0.63 -2.47 114.38 115.12 2bbn h ARG 126 Ca -0.00 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2bbn h ARG 126 Cb 0.32 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.92 2bbn h ARG 126 CO 0.02 -0.40 -0.34 1.49 -1.51 0.00 0.00 179.97 179.23 2bbn h GLU 127 N -0.98 -0.28 -0.23 0.20 4.81 -1.29 0.79 114.58 117.60 2bbn h GLU 127 Ca -0.06 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2bbn h GLU 127 Cb 0.48 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2bbn h GLU 127 CO 0.11 -0.19 0.43 0.00 -0.73 0.00 0.00 179.01 178.63 2bbn h ALA 128 N 0.65 1.78 -2.34 2.92 0.00 -1.42 -3.33 119.26 117.51 2bbn h ALA 128 Ca 0.15 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.32 2bbn h ALA 128 Cb 0.55 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.13 2bbn h ALA 128 CO -0.51 -0.54 -0.34 0.34 0.00 0.00 0.00 179.25 178.19 2bbn s ASP 129 N -4.79 6.14 0.41 0.00 -1.08 0.27 -4.90 116.67 112.72 2bbn s ASP 129 Ca -0.04 -1.22 0.22 0.00 -0.52 0.00 0.00 52.55 51.00 2bbn s ASP 129 Cb 0.12 -2.18 0.48 0.00 -1.46 0.00 0.00 42.92 39.88 2bbn s ASP 129 CO 0.41 -0.61 1.64 0.40 0.52 0.00 0.00 175.17 177.53 2bbn h ILE 130 N 5.73 0.34 0.00 4.11 1.08 -1.75 -3.43 117.51 123.59 2bbn h ILE 130 Ca -0.28 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 2bbn h ILE 130 Cb 1.11 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 2bbn h ILE 130 CO 0.85 0.18 0.00 0.47 -0.69 0.00 0.00 178.15 178.96 2bbn n ASP 131 N -3.18 0.00 -0.75 1.72 8.00 -1.26 -5.03 116.55 116.04 2bbn n ASP 131 Ca 0.02 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.48 2bbn n ASP 131 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 132 N 4.29 0.37 0.11 0.44 0.00 -1.26 -4.96 105.19 104.18 2bbn n GLY 132 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2bbn n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bbn h ASP 133 N 0.00 0.29 0.00 1.61 3.04 -1.96 -3.48 116.42 115.92 2bbn h ASP 133 Ca -0.32 -0.54 0.00 0.00 -3.24 0.00 0.00 57.03 52.92 2bbn h ASP 133 Cb 1.07 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 2bbn h ASP 133 CO -0.16 1.48 0.00 0.61 -2.04 0.00 0.00 179.24 179.12 2bbn n GLY 134 N 1.76 2.18 3.83 7.15 0.00 -1.26 -5.04 105.19 113.81 2bbn n GLY 134 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2bbn n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbn s GLN 135 N -0.77 3.18 -0.23 1.61 -0.21 -1.26 -4.80 119.66 117.18 2bbn s GLN 135 Ca 0.00 -0.47 -0.12 0.00 0.02 0.00 0.00 55.36 54.79 2bbn s GLN 135 Cb 0.00 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 2bbn s GLN 135 CO 0.00 0.64 0.22 0.08 -2.12 0.00 0.00 175.29 174.11 2bbn s VAL 136 N -1.30 5.32 0.00 1.09 1.01 -1.22 -4.94 120.40 120.35 2bbn s VAL 136 Ca 0.27 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2bbn s VAL 136 Cb -0.12 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2bbn s VAL 136 CO 0.18 0.32 0.00 0.59 0.00 0.00 0.00 175.10 176.20 2bbn n ASN 137 N 4.31 0.11 0.14 3.32 4.13 -1.26 -1.86 115.26 124.14 2bbn n ASN 137 Ca -0.13 -0.53 0.08 0.00 1.68 0.00 0.00 54.58 55.67 2bbn n ASN 137 Cb 0.52 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.80 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2bbn h TYR 138 N 0.03 0.00 0.35 3.10 5.03 -1.99 -3.22 116.97 120.27 2bbn h TYR 138 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 2bbn h TYR 138 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2bbn h TYR 138 CO 0.00 0.20 -0.17 0.93 -1.32 0.00 0.00 178.16 177.81 2bbn h GLU 139 N 0.00 -0.45 0.00 1.82 5.08 -1.97 -0.11 114.58 118.95 2bbn h GLU 139 Ca -0.03 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 139 Cb 1.18 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2bbn h GLU 139 CO 0.02 -0.16 0.00 0.93 -1.00 0.00 0.00 179.01 178.80 2bbn h GLU 140 N -1.01 0.00 0.10 2.33 5.08 -1.93 -0.89 114.58 118.25 2bbn h GLU 140 Ca -0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2bbn h GLU 140 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2bbn h GLU 140 CO 0.08 0.00 -1.37 0.35 -1.00 0.00 0.00 179.01 177.07 2bbn h PHE 141 N 0.00 0.37 0.00 4.33 3.57 -1.55 -2.33 116.94 121.33 2bbn h PHE 141 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2bbn h PHE 141 Cb 0.13 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2bbn h PHE 141 CO 0.00 1.54 0.00 -0.24 -2.23 0.00 0.00 178.31 177.38 2bbn h VAL 142 N -0.40 0.00 0.02 1.41 3.04 -0.67 -1.93 116.25 117.71 2bbn h VAL 142 Ca -0.31 -0.60 -0.34 0.00 -1.01 0.00 0.00 66.70 64.45 2bbn h VAL 142 Cb 1.69 1.57 -0.05 0.00 -2.01 0.00 0.00 31.29 32.48 2bbn h VAL 142 CO 0.02 0.00 -2.04 1.07 -1.01 0.00 0.00 177.57 175.61 2bbn n THR 143 N -2.92 1.55 -0.05 3.17 5.66 -0.37 -4.22 114.28 117.10 2bbn n THR 143 Ca 0.02 -0.78 -0.14 0.00 -3.05 0.00 0.00 64.05 60.10 2bbn n THR 143 Cb 0.36 -0.96 -0.12 0.00 -1.55 0.00 0.00 70.33 68.06 2bbn n THR 143 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2bbn h MET 144 N 0.01 0.02 -3.47 1.09 1.85 -1.37 -3.38 114.93 109.67 2bbn h MET 144 Ca -0.42 -0.02 -0.78 0.00 -0.61 0.00 0.00 59.70 57.87 2bbn h MET 144 Cb 2.09 0.01 -0.30 0.00 0.43 0.00 0.00 31.60 33.83 2bbn h MET 144 CO 0.05 0.87 0.35 -1.33 -0.40 0.00 0.00 176.91 176.45 2bbn n MET 145 N -4.65 3.38 -4.45 0.39 2.00 -0.73 -4.98 117.12 108.08 2bbn n MET 145 Ca -0.10 -4.47 -0.30 0.00 0.00 0.00 0.00 57.70 52.83 2bbn n MET 145 Cb 0.43 -2.52 -0.06 0.00 0.00 0.00 0.00 33.22 31.08 2bbn n MET 145 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2bbn s THR 146 N -1.38 1.42 0.52 2.03 -1.32 -1.26 -4.75 115.64 110.90 2bbn s THR 146 Ca 0.30 -1.83 0.07 0.00 -1.21 0.00 0.00 61.69 59.03 2bbn s THR 146 Cb -0.09 -2.25 0.07 0.00 -1.51 0.00 0.00 72.50 68.72 2bbn s THR 146 CO -0.08 0.00 1.15 0.77 -2.21 0.00 0.00 174.62 174.25 2bbn h SER 147 N 1.19 0.00 -0.03 8.08 4.64 -1.95 -3.52 113.55 121.96 2bbn h SER 147 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2bbn h SER 147 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2bbn h SER 147 CO 0.69 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.94