#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 7.73 0.00 0.00 5.68 -1.26 -4.55 116.55 124.15 2bbn n ASP 2 Ca 0.00 -2.71 0.03 0.00 -0.50 0.00 0.00 54.79 51.62 2bbn n ASP 2 Cb 0.00 -1.47 0.20 0.00 -1.14 0.00 0.00 41.12 38.71 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bbn n GLN 3 N 2.80 0.37 0.00 0.11 3.00 -1.26 -4.78 117.38 117.62 2bbn n GLN 3 Ca 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 2bbn n GLN 3 Cb 0.40 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.35 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2bbn n LEU 4 N -0.79 0.00 0.00 1.08 7.94 -1.26 -4.91 117.00 119.06 2bbn n LEU 4 Ca 0.05 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.03 2bbn n LEU 4 Cb 0.02 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.95 2bbn n LEU 4 CO 0.04 0.00 -0.11 0.35 -1.11 0.00 0.00 177.39 176.56 2bbn n THR 5 N 0.00 0.00 -1.37 1.96 -2.24 -1.26 -4.92 114.28 106.45 2bbn n THR 5 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2bbn n THR 5 Cb 0.00 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.04 0.00 0.01 -0.78 1.02 -1.26 -5.02 120.64 112.57 2bbn n GLU 6 Ca 0.00 -0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.06 2bbn n GLU 6 Cb 0.27 0.29 -0.01 0.00 -0.02 0.00 0.00 31.44 31.97 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 -0.10 0.17 3.49 4.39 -2.00 -3.05 114.58 117.48 2bbn h GLU 7 Ca -0.04 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2bbn h GLU 7 Cb 0.40 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2bbn h GLU 7 CO -0.02 -0.06 -0.08 1.96 -1.16 0.00 0.00 179.01 179.65 2bbn h GLN 8 N -0.66 -0.21 -0.78 2.33 4.20 -2.00 -2.62 115.11 115.37 2bbn h GLN 8 Ca -0.01 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2bbn h GLN 8 Cb 0.08 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 27.76 2bbn h GLN 8 CO 0.02 -0.09 -0.16 0.82 -0.67 0.00 0.00 178.83 178.74 2bbn h ILE 9 N -0.29 0.24 -0.76 2.54 2.04 -1.96 0.36 117.51 119.68 2bbn h ILE 9 Ca -0.02 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2bbn h ILE 9 Cb 0.22 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 2bbn h ILE 9 CO 0.04 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.64 2bbn h ALA 10 N 1.77 1.03 0.21 1.87 0.00 -1.39 -1.18 119.26 121.57 2bbn h ALA 10 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2bbn h ALA 10 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2bbn h ALA 10 CO -0.78 0.17 -0.30 0.93 0.00 0.00 0.00 179.25 179.26 2bbn h GLU 11 N 0.83 -0.52 -0.90 0.00 5.08 0.06 0.21 114.58 119.35 2bbn h GLU 11 Ca 0.33 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.85 2bbn h GLU 11 Cb 0.16 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 2bbn h GLU 11 CO -0.17 -0.34 0.58 0.74 -1.00 0.00 0.00 179.01 178.82 2bbn h PHE 12 N -0.54 0.90 -0.43 4.33 0.04 -1.34 -0.90 116.94 119.00 2bbn h PHE 12 Ca -0.02 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2bbn h PHE 12 Cb 0.49 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2bbn h PHE 12 CO -0.26 0.36 0.26 0.87 -0.60 0.00 0.00 178.31 178.93 2bbn h LYS 13 N 0.78 0.59 -0.30 1.51 1.79 -0.51 -2.56 116.57 117.88 2bbn h LYS 13 Ca 0.44 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.91 2bbn h LYS 13 Cb 0.60 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 2bbn h LYS 13 CO -0.21 0.45 -0.03 0.93 -1.08 0.00 0.00 179.45 179.51 2bbn h GLU 14 N 0.57 0.04 -0.87 3.15 4.39 0.82 -0.38 114.58 122.31 2bbn h GLU 14 Ca 0.15 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.98 2bbn h GLU 14 Cb 0.01 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.59 2bbn h GLU 14 CO -0.03 0.03 0.56 0.00 -1.16 0.00 0.00 179.01 178.41 2bbn h ALA 15 N 1.27 1.78 0.00 3.43 0.00 -1.22 0.33 119.26 124.86 2bbn h ALA 15 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2bbn h ALA 15 Cb 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bbn h ALA 15 CO -0.27 0.00 -0.08 0.74 0.00 0.00 0.00 179.25 179.65 2bbn h PHE 16 N 0.73 0.00 0.00 0.00 -1.00 -0.72 0.41 116.94 116.37 2bbn h PHE 16 Ca 0.43 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.09 2bbn h PHE 16 Cb 0.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 2bbn h PHE 16 CO -0.00 0.08 -1.05 0.66 -1.61 0.00 0.00 178.31 176.39 2bbn h SER 17 N 0.00 0.00 0.23 2.17 4.64 0.78 -3.36 113.55 118.00 2bbn h SER 17 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2bbn h SER 17 Cb 0.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 2bbn h SER 17 CO 0.01 0.44 -2.02 -0.11 -0.87 0.00 0.00 176.83 174.28 2bbn n LEU 18 N -2.95 1.56 -2.00 5.97 7.94 -0.28 -4.22 117.00 123.03 2bbn n LEU 18 Ca -0.04 0.21 -0.17 0.00 -1.11 0.00 0.00 56.01 54.89 2bbn n LEU 18 Cb 0.75 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2bbn n LEU 18 CO 0.41 0.63 1.30 0.33 -1.11 0.00 0.00 177.39 178.95 2bbn n PHE 19 N -3.16 1.36 -3.40 1.96 -0.00 0.12 -4.69 117.46 109.64 2bbn n PHE 19 Ca -0.28 -1.87 -0.17 0.00 -0.00 0.00 0.00 57.45 55.14 2bbn n PHE 19 Cb 1.06 -1.04 -0.10 0.00 -0.00 0.00 0.00 39.48 39.40 2bbn n PHE 19 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2bbn s ASP 20 N 0.45 1.53 -0.03 -2.13 2.15 -1.26 -4.68 116.67 112.70 2bbn s ASP 20 Ca 0.36 -0.64 0.10 0.00 0.43 0.00 0.00 52.55 52.81 2bbn s ASP 20 Cb 0.26 0.55 0.35 0.00 -0.30 0.00 0.00 42.92 43.77 2bbn s ASP 20 CO -0.05 -0.38 1.24 0.29 -0.17 0.00 0.00 175.17 176.10 2bbn n LYS 21 N 5.32 2.09 0.00 4.34 5.02 -1.26 -4.49 118.16 129.18 2bbn n LYS 21 Ca -0.02 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 2bbn n LYS 21 Cb 0.47 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2bbn n ASP 22 N 0.53 0.00 0.00 4.39 5.75 -1.26 -5.08 116.55 120.88 2bbn n ASP 22 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 2bbn n ASP 22 Cb 0.40 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 23 N 3.47 0.00 0.00 6.12 0.00 -1.26 -5.04 105.19 108.47 2bbn n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 4.46 -1.76 1.61 5.75 -1.26 -5.06 116.55 120.28 2bbn n ASP 24 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 2bbn n ASP 24 Cb 0.00 0.37 0.02 0.00 -1.03 0.00 0.00 41.12 40.47 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 2.94 0.38 3.19 6.12 0.00 -1.26 -5.00 105.19 111.57 2bbn n GLY 25 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.08 -0.02 -0.56 2.61 -4.23 -1.26 -4.32 115.64 104.77 2bbn s THR 26 Ca 0.06 0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.35 2bbn s THR 26 Cb -0.01 -0.49 0.03 0.00 1.34 0.00 0.00 72.50 73.38 2bbn s THR 26 CO 0.16 0.03 1.20 -0.63 -0.54 0.00 0.00 174.62 174.84 2bbn s ILE 27 N 0.78 4.03 0.00 2.99 -1.09 -1.16 -4.86 121.20 121.89 2bbn s ILE 27 Ca -0.05 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 2bbn s ILE 27 Cb -0.06 -4.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.13 2bbn s ILE 27 CO -0.05 -1.28 0.00 0.35 -1.23 0.00 0.00 174.94 172.72 2bbn n THR 28 N 6.72 0.00 0.10 2.92 -2.24 -1.26 -3.38 114.28 117.14 2bbn n THR 28 Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 2bbn n THR 28 Cb 0.49 -0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 2bbn n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2bbn h THR 29 N 0.17 1.43 0.30 4.28 1.35 -1.93 -2.94 112.91 115.57 2bbn h THR 29 Ca 0.00 -2.75 -0.01 0.00 -0.55 0.00 0.00 66.41 63.09 2bbn h THR 29 Cb 0.00 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2bbn h THR 29 CO 0.00 0.76 -0.14 0.11 -0.25 0.00 0.00 175.52 175.99 2bbn h LYS 30 N 0.00 -0.39 -0.74 4.72 1.57 -1.96 -1.94 116.57 117.83 2bbn h LYS 30 Ca -0.01 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 2bbn h LYS 30 Cb 1.47 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 2bbn h LYS 30 CO 0.10 -0.10 0.49 0.93 -0.57 0.00 0.00 179.45 180.31 2bbn h GLU 31 N -1.00 0.51 0.00 3.15 5.08 -1.90 -1.48 114.58 118.95 2bbn h GLU 31 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2bbn h GLU 31 Cb 0.47 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2bbn h GLU 31 CO 0.07 0.34 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 2bbn n LEU 32 N -4.49 1.06 -0.35 1.33 4.77 -1.11 -2.61 117.00 115.60 2bbn n LEU 32 Ca 0.13 0.39 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 2bbn n LEU 32 Cb 0.43 -0.13 0.19 0.00 -2.33 0.00 0.00 43.42 41.58 2bbn n LEU 32 CO 0.32 -0.13 0.69 0.61 -1.33 0.00 0.00 177.39 177.56 2bbn n GLY 33 N 0.80 -1.55 0.45 -0.72 0.00 -0.73 0.71 105.19 104.15 2bbn n GLY 33 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.90 2bbn n GLY 33 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bbn h THR 34 N 0.00 0.00 0.61 2.61 1.35 -1.38 0.48 112.91 116.57 2bbn h THR 34 Ca 0.51 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.34 2bbn h THR 34 Cb 0.88 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2bbn h THR 34 CO -0.99 0.00 -0.29 0.58 -0.25 0.00 0.00 175.52 174.57 2bbn h VAL 35 N -0.58 0.01 -1.49 6.82 2.07 -0.41 -2.41 116.25 120.27 2bbn h VAL 35 Ca 0.03 -0.40 0.46 0.00 0.82 0.00 0.00 66.70 67.60 2bbn h VAL 35 Cb 0.66 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 2bbn h VAL 35 CO -0.41 0.00 1.02 0.24 0.02 0.00 0.00 177.57 178.44 2bbn h MET 36 N -1.22 0.06 0.37 1.57 2.07 0.35 0.54 114.93 118.68 2bbn h MET 36 Ca -0.08 -0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 2bbn h MET 36 Cb 0.63 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.35 2bbn h MET 36 CO 0.14 0.04 -0.18 -0.09 1.07 0.00 0.00 176.91 177.89 2bbn h ARG 37 N 0.06 -0.48 0.00 1.72 2.43 0.10 2.25 114.38 120.46 2bbn h ARG 37 Ca 0.82 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 60.02 2bbn h ARG 37 Cb 2.86 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 32.52 2bbn h ARG 37 CO -0.24 -0.20 0.00 0.45 -1.51 0.00 0.00 179.97 178.47 2bbn n SER 38 N -5.12 0.00 0.00 -3.80 2.88 0.75 -1.48 113.62 106.85 2bbn n SER 38 Ca -0.08 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2bbn n SER 38 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.72 0.43 0.00 2.46 7.94 0.15 -5.05 117.00 122.21 2bbn n LEU 39 Ca 0.05 -0.43 0.00 0.00 -1.11 0.00 0.00 56.01 54.53 2bbn n LEU 39 Cb 0.02 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.97 2bbn n LEU 39 CO 0.04 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 2bbn n GLY 40 N -0.10 -2.04 0.00 -3.96 0.00 0.74 -4.91 105.19 94.92 2bbn n GLY 40 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2bbn n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bbn n GLN 41 N 0.00 0.00 -2.72 1.61 7.27 0.20 -4.82 117.38 118.92 2bbn n GLN 41 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 2bbn n GLN 41 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 2bbn n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bbn n ASN 42 N 0.00 -2.55 0.05 1.69 3.02 -1.26 -4.90 115.26 111.31 2bbn n ASN 42 Ca 0.00 -2.49 -0.09 0.00 -0.03 0.00 0.00 54.58 51.97 2bbn n ASN 42 Cb 0.00 1.42 0.05 0.00 -0.61 0.00 0.00 39.78 40.64 2bbn n ASN 42 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2bbn h PRO 43 N 4.21 0.40 -6.61 3.52 0.13 -1.99 -3.45 132.00 128.22 2bbn h PRO 43 Ca -0.07 -0.30 -0.59 0.00 -0.87 0.00 0.00 66.00 64.17 2bbn h PRO 43 Cb 1.11 0.06 0.12 0.00 0.13 0.00 0.00 31.00 32.41 2bbn h PRO 43 CO 0.06 0.93 0.25 0.25 -0.23 0.00 0.00 178.00 179.26 2bbn n THR 44 N -3.87 2.14 -0.11 1.56 -2.24 -1.26 -4.93 114.28 105.57 2bbn n THR 44 Ca -0.04 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.02 2bbn n THR 44 Cb 0.67 -1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.60 2bbn n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 45 N 0.49 0.46 -0.30 -0.78 4.71 -1.26 -4.23 120.64 119.72 2bbn n GLU 45 Ca 0.08 0.19 0.14 0.00 -0.01 0.00 0.00 57.16 57.56 2bbn n GLU 45 Cb 0.35 -1.28 0.30 0.00 -1.01 0.00 0.00 31.44 29.81 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bbn h ALA 46 N -0.67 1.35 -0.64 0.62 0.00 -1.98 0.60 119.26 118.53 2bbn h ALA 46 Ca -0.53 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2bbn h ALA 46 Cb 1.50 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2bbn h ALA 46 CO -0.30 -0.46 0.36 0.93 0.00 0.00 0.00 179.25 179.78 2bbn h GLU 47 N 0.25 0.88 0.00 0.00 4.39 -1.98 -0.55 114.58 117.57 2bbn h GLU 47 Ca 0.57 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 60.09 2bbn h GLU 47 Cb 1.14 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2bbn h GLU 47 CO -0.63 0.66 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.45 2bbn h LEU 48 N 0.87 0.00 -0.29 1.33 3.38 -0.20 -2.73 115.31 117.66 2bbn h LEU 48 Ca 0.23 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 2bbn h LEU 48 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bbn h LEU 48 CO -0.04 0.36 -0.75 1.56 0.09 0.00 0.00 178.44 179.66 2bbn h GLN 49 N 0.00 0.59 -0.06 1.13 4.20 0.47 -2.52 115.11 118.92 2bbn h GLN 49 Ca -0.00 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 2bbn h GLN 49 Cb 0.73 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 2bbn h GLN 49 CO 0.05 1.11 0.02 -0.44 -0.67 0.00 0.00 178.83 178.89 2bbn h ASP 50 N 0.40 0.09 -0.81 1.46 3.32 -0.89 0.48 116.42 120.47 2bbn h ASP 50 Ca -0.04 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.82 2bbn h ASP 50 Cb 1.35 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 2bbn h ASP 50 CO 0.14 0.27 0.53 0.24 -1.72 0.00 0.00 179.24 178.70 2bbn h MET 51 N -0.09 1.06 0.00 3.56 2.86 -1.53 -1.22 114.93 119.58 2bbn h MET 51 Ca 0.02 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.42 2bbn h MET 51 Cb 0.21 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2bbn h MET 51 CO -0.00 0.71 -0.84 0.82 1.06 0.00 0.00 176.91 178.66 2bbn h ILE 52 N 1.10 1.51 0.48 -1.22 2.04 -1.19 -3.21 117.51 117.02 2bbn h ILE 52 Ca 0.30 -2.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.18 2bbn h ILE 52 Cb -0.12 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2bbn h ILE 52 CO -0.06 0.82 -0.23 -1.13 0.00 0.00 0.00 178.15 177.54 2bbn h ASN 53 N 0.00 -0.55 0.00 1.72 -0.73 0.69 0.15 115.58 116.85 2bbn h ASN 53 Ca -0.01 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.14 2bbn h ASN 53 Cb 1.56 0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.29 2bbn h ASN 53 CO 0.11 -0.13 0.35 -0.33 -0.37 0.00 0.00 177.43 177.06 2bbn h GLU 54 N -1.13 0.00 0.01 6.67 5.08 -1.38 -1.51 114.58 122.32 2bbn h GLU 54 Ca -0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.96 2bbn h GLU 54 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2bbn h GLU 54 CO 0.11 0.00 -1.84 0.28 -1.00 0.00 0.00 179.01 176.56 2bbn n VAL 55 N -2.47 1.55 -1.60 3.13 0.31 -1.09 -4.80 118.33 113.36 2bbn n VAL 55 Ca -0.01 -0.23 -0.37 0.00 -0.01 0.00 0.00 64.34 63.71 2bbn n VAL 55 Cb 0.39 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2bbn s ASP 56 N -7.08 4.59 0.14 4.52 -1.08 0.49 -4.81 116.67 113.44 2bbn s ASP 56 Ca -0.32 1.10 -0.20 0.00 -0.52 0.00 0.00 52.55 52.61 2bbn s ASP 56 Cb 0.09 -2.50 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 2bbn s ASP 56 CO 0.57 -2.76 1.67 0.00 0.52 0.00 0.00 175.17 175.17 2bbn h ALA 57 N 18.82 0.08 -0.74 3.66 0.00 -1.87 -3.29 119.26 135.92 2bbn h ALA 57 Ca -0.26 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bbn h ALA 57 Cb 1.26 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2bbn h ALA 57 CO 1.15 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 2bbn n ASP 58 N -5.28 0.00 0.00 0.00 5.75 -1.26 -5.01 116.55 110.75 2bbn n ASP 58 Ca -0.01 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 2bbn n ASP 58 Cb 0.20 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.06 0.00 0.04 6.12 0.00 -1.24 -5.02 105.19 106.16 2bbn n GLY 59 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2bbn n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbn n ASN 60 N 0.00 0.19 0.00 1.61 5.03 -1.26 -4.87 115.26 115.96 2bbn n ASN 60 Ca 0.00 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.16 2bbn n ASN 60 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bbn n GLY 61 N 1.30 0.79 3.23 7.41 0.00 -1.26 -4.91 105.19 111.75 2bbn n GLY 61 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.28 0.06 -0.14 2.61 -4.23 -1.26 -4.65 115.64 105.75 2bbn s THR 62 Ca 0.00 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2bbn s THR 62 Cb 0.00 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 2bbn s THR 62 CO 0.00 -0.29 -0.00 0.27 -0.54 0.00 0.00 174.62 174.05 2bbn s ILE 63 N -1.55 4.23 0.00 2.99 -0.00 -1.22 -5.00 121.20 120.64 2bbn s ILE 63 Ca -0.12 -0.25 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 2bbn s ILE 63 Cb -0.05 -2.84 0.00 0.00 -0.00 0.00 0.00 42.46 39.57 2bbn s ILE 63 CO 0.03 0.52 0.00 0.47 -0.00 0.00 0.00 174.94 175.96 2bbn n ASP 64 N 3.10 0.00 -0.00 4.36 9.92 -1.26 -2.96 116.55 129.71 2bbn n ASP 64 Ca -0.18 -0.78 -0.12 0.00 -0.53 0.00 0.00 54.79 53.18 2bbn n ASP 64 Cb 0.53 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.92 2bbn n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2bbn h PHE 65 N -0.26 0.05 -0.04 1.24 3.57 -1.95 -2.31 116.94 117.25 2bbn h PHE 65 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2bbn h PHE 65 Cb 0.00 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2bbn h PHE 65 CO 0.00 0.35 0.00 -1.35 -2.23 0.00 0.00 178.31 175.08 2bbn h PRO 66 N -0.26 0.01 -0.60 6.41 0.11 -1.98 -0.90 132.00 134.80 2bbn h PRO 66 Ca 0.01 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.29 2bbn h PRO 66 Cb 0.33 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 2bbn h PRO 66 CO 0.00 0.01 0.47 0.93 -0.21 0.00 0.00 178.00 179.20 2bbn h GLU 67 N 0.01 0.00 0.55 1.05 5.08 -1.93 -1.14 114.58 118.21 2bbn h GLU 67 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2bbn h GLU 67 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2bbn h GLU 67 CO -0.03 0.00 -0.27 0.35 -1.00 0.00 0.00 179.01 178.07 2bbn h PHE 68 N 0.00 -0.69 -0.85 4.33 3.57 -0.57 -0.48 116.94 122.25 2bbn h PHE 68 Ca 0.29 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.97 2bbn h PHE 68 Cb 1.23 0.23 -0.12 0.00 2.79 0.00 0.00 35.95 40.08 2bbn h PHE 68 CO 0.00 -0.37 0.34 -0.07 -2.23 0.00 0.00 178.31 175.99 2bbn h LEU 69 N -0.93 0.27 -0.09 0.59 3.38 -0.94 -0.50 115.31 117.09 2bbn h LEU 69 Ca -0.08 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2bbn h LEU 69 Cb 0.63 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2bbn h LEU 69 CO 0.12 0.02 0.00 0.71 0.09 0.00 0.00 178.44 179.38 2bbn h THR 70 N 0.39 1.25 0.00 0.22 1.35 -1.33 0.29 112.91 115.08 2bbn h THR 70 Ca 0.51 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2bbn h THR 70 Cb 0.92 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2bbn h THR 70 CO -0.51 0.22 0.00 0.80 -0.25 0.00 0.00 175.52 175.79 2bbn n MET 71 N -4.83 0.10 -0.13 4.72 0.00 -0.20 -1.19 117.12 115.59 2bbn n MET 71 Ca -0.06 0.60 -0.27 0.00 -0.00 0.00 0.00 57.70 57.97 2bbn n MET 71 Cb 0.19 -1.84 -0.09 0.00 0.00 0.00 0.00 33.22 31.48 2bbn n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2bbn n MET 72 N -2.06 0.55 0.00 2.12 2.00 -0.45 -4.36 117.12 114.91 2bbn n MET 72 Ca -0.01 0.23 0.08 0.00 0.00 0.00 0.00 57.70 58.00 2bbn n MET 72 Cb 0.03 -1.41 0.42 0.00 0.00 0.00 0.00 33.22 32.25 2bbn n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbn n ALA 73 N -4.07 1.93 -2.94 3.04 0.00 0.97 -4.46 120.51 114.98 2bbn n ALA 73 Ca -0.50 -0.08 -0.44 0.00 0.00 0.00 0.00 53.44 52.42 2bbn n ALA 73 Cb 0.87 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 2bbn n ALA 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2bbn s ARG 74 N -2.45 3.06 -0.25 0.00 0.52 -0.34 -4.99 118.95 114.51 2bbn s ARG 74 Ca 0.17 -1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 54.10 2bbn s ARG 74 Cb 0.11 -4.18 0.10 0.00 0.52 0.00 0.00 34.95 31.51 2bbn s ARG 74 CO 0.23 -1.29 0.54 0.21 0.02 0.00 0.00 175.30 175.01 2bbn s LYS 75 N 2.37 0.47 0.59 3.54 2.20 -1.26 -4.95 119.74 122.70 2bbn s LYS 75 Ca 0.11 1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 56.87 2bbn s LYS 75 Cb -0.23 0.52 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2bbn s LYS 75 CO 0.08 -0.21 0.91 -1.64 -0.36 0.00 0.00 175.35 174.13 2bbn s MET 76 N 2.56 2.90 0.84 4.03 -1.94 -1.26 -5.02 119.30 121.42 2bbn s MET 76 Ca -0.05 -0.00 -0.15 0.00 -1.71 0.00 0.00 55.69 53.78 2bbn s MET 76 Cb -0.11 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 2bbn s MET 76 CO -0.16 -0.72 0.21 0.36 -0.01 0.00 0.00 175.02 174.71 2bbn n LYS 77 N -2.60 0.01 -3.06 2.03 2.85 -1.26 -4.99 118.16 111.15 2bbn n LYS 77 Ca 0.05 0.04 -0.01 0.00 -1.05 0.00 0.00 58.31 57.34 2bbn n LYS 77 Cb 0.58 -1.64 0.01 0.00 -0.65 0.00 0.00 35.03 33.33 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2bbn n ASP 78 N 0.17 -1.00 0.00 -5.58 2.03 -1.26 -5.15 116.55 105.76 2bbn n ASP 78 Ca 0.07 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.93 2bbn n ASP 78 Cb 0.52 1.60 0.00 0.00 -0.72 0.00 0.00 41.12 42.52 2bbn n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2bbn n THR 79 N -0.50 0.00 -2.65 5.18 -2.24 -1.26 -4.97 114.28 107.83 2bbn n THR 79 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2bbn n THR 79 Cb 0.37 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 2bbn n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bbn n ASP 80 N 0.00 2.09 -4.57 3.42 8.00 -1.26 -5.03 116.55 119.20 2bbn n ASP 80 Ca 0.00 -2.94 -0.14 0.00 0.71 0.00 0.00 54.79 52.42 2bbn n ASP 80 Cb 0.00 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bbn s SER 81 N -3.17 3.50 -0.36 -2.24 0.01 -1.26 -4.64 113.70 105.54 2bbn s SER 81 Ca 0.32 -0.63 0.08 0.00 1.31 0.00 0.00 55.95 57.03 2bbn s SER 81 Cb 0.44 -2.58 0.69 0.00 0.21 0.00 0.00 66.02 64.78 2bbn s SER 81 CO -0.01 -4.57 1.80 -0.62 0.41 0.00 0.00 173.24 170.25 2bbn n GLU 82 N 8.37 2.99 0.09 12.44 -0.58 -1.26 -4.49 120.64 138.20 2bbn n GLU 82 Ca 0.43 -3.07 -0.00 0.00 -0.42 0.00 0.00 57.16 54.10 2bbn n GLU 82 Cb 0.46 -2.15 0.29 0.00 -0.57 0.00 0.00 31.44 29.46 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 83 N 1.88 0.28 0.65 3.49 4.39 -2.00 -2.73 114.58 120.54 2bbn h GLU 83 Ca 0.39 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2bbn h GLU 83 Cb 2.44 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 31.07 2bbn h GLU 83 CO 0.82 0.53 -0.35 1.49 -1.16 0.00 0.00 179.01 180.35 2bbn h GLU 84 N 0.25 -0.89 -0.32 2.33 4.57 -1.99 -2.29 114.58 116.25 2bbn h GLU 84 Ca 0.04 0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2bbn h GLU 84 Cb 0.61 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 29.32 2bbn h GLU 84 CO 0.04 -0.59 -0.22 0.82 -1.18 0.00 0.00 179.01 177.88 2bbn h ILE 85 N -0.92 0.41 -0.22 2.32 5.03 -1.90 -1.97 117.51 120.26 2bbn h ILE 85 Ca -0.09 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.67 2bbn h ILE 85 Cb 0.72 0.41 -0.03 0.00 -3.03 0.00 0.00 36.82 34.89 2bbn h ILE 85 CO 0.12 0.00 -0.19 -0.09 -0.68 0.00 0.00 178.15 177.32 2bbn h ARG 86 N -0.19 -0.07 -0.61 2.37 2.43 -1.42 0.30 114.38 117.20 2bbn h ARG 86 Ca 0.16 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.45 2bbn h ARG 86 Cb 0.44 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.89 2bbn h ARG 86 CO -0.43 -0.05 -0.27 1.49 -1.51 0.00 0.00 179.97 179.21 2bbn h GLU 87 N -0.07 -0.10 -0.96 0.20 4.81 -1.11 0.76 114.58 118.09 2bbn h GLU 87 Ca 0.04 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.52 2bbn h GLU 87 Cb 0.17 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 2bbn h GLU 87 CO -0.24 -0.07 0.66 0.00 -0.73 0.00 0.00 179.01 178.63 2bbn h ALA 88 N 1.25 2.52 0.17 2.92 0.00 -0.40 0.33 119.26 126.06 2bbn h ALA 88 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2bbn h ALA 88 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2bbn h ALA 88 CO -0.67 -0.83 -0.08 0.35 0.00 0.00 0.00 179.25 178.01 2bbn h PHE 89 N 0.23 -0.21 -0.08 0.00 3.57 0.25 -2.69 116.94 118.00 2bbn h PHE 89 Ca 0.49 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.01 2bbn h PHE 89 Cb 1.54 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 2bbn h PHE 89 CO -0.00 0.15 0.07 -0.09 -2.23 0.00 0.00 178.31 176.21 2bbn h ARG 90 N -0.62 0.00 -0.31 1.11 2.43 -0.31 -1.87 114.38 114.81 2bbn h ARG 90 Ca -0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2bbn h ARG 90 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2bbn h ARG 90 CO 0.04 0.00 -0.03 0.28 -1.51 0.00 0.00 179.97 178.75 2bbn h VAL 91 N 0.00 1.27 -0.20 0.20 2.07 -0.83 -3.20 116.25 115.56 2bbn h VAL 91 Ca 0.04 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2bbn h VAL 91 Cb 0.18 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2bbn h VAL 91 CO -0.00 0.33 -0.10 -0.26 0.02 0.00 0.00 177.57 177.56 2bbn h PHE 92 N 0.34 0.49 -0.37 1.57 -1.00 -1.04 -3.38 116.94 113.55 2bbn h PHE 92 Ca 0.08 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 2bbn h PHE 92 Cb 0.49 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 2bbn h PHE 92 CO 0.04 0.72 0.14 0.34 -1.61 0.00 0.00 178.31 177.94 2bbn s ASP 93 N -6.10 4.01 0.00 2.17 -1.08 -0.79 -4.73 116.67 110.15 2bbn s ASP 93 Ca -0.14 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 2bbn s ASP 93 Cb 0.06 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2bbn s ASP 93 CO 0.76 -3.83 1.00 1.17 0.52 0.00 0.00 175.17 174.78 2bbn n LYS 94 N 8.74 0.00 0.02 4.34 4.81 -1.26 -3.05 118.16 131.75 2bbn n LYS 94 Ca 0.45 0.78 -0.06 0.00 -0.87 0.00 0.00 58.31 58.61 2bbn n LYS 94 Cb 0.44 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.95 2bbn n LYS 94 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2bbn h ASP 95 N 0.00 -0.68 0.00 3.14 5.19 -1.95 -3.47 116.42 118.66 2bbn h ASP 95 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2bbn h ASP 95 Cb 0.00 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2bbn h ASP 95 CO 0.00 -0.21 0.00 0.61 -3.12 0.00 0.00 179.24 176.52 2bbn n GLY 96 N -1.18 1.24 0.10 2.75 0.00 -1.17 -5.06 105.19 101.86 2bbn n GLY 96 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2bbn n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 97 N 0.00 0.00 0.00 1.61 -1.07 -1.91 -3.50 115.58 110.72 2bbn h ASN 97 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 56.30 55.86 2bbn h ASN 97 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2bbn h ASN 97 CO 0.00 1.42 0.00 0.61 0.07 0.00 0.00 177.43 179.53 2bbn n GLY 98 N 1.45 3.62 3.77 9.14 0.00 -1.26 -5.11 105.19 116.80 2bbn n GLY 98 Ca -0.29 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 3.16 0.12 1.61 -0.71 -1.26 -4.87 117.98 116.03 2bbn s PHE 99 Ca 0.00 1.53 -0.15 0.00 -1.04 0.00 0.00 56.93 57.26 2bbn s PHE 99 Cb 0.00 -3.49 -0.07 0.00 -1.21 0.00 0.00 43.02 38.25 2bbn s PHE 99 CO 0.00 -1.39 0.54 -1.50 -1.34 0.00 0.00 175.22 171.53 2bbn s ILE 100 N -1.24 4.85 0.03 -4.49 2.07 -0.80 -4.97 121.20 116.65 2bbn s ILE 100 Ca 0.51 0.91 0.04 0.00 -1.41 0.00 0.00 60.65 60.70 2bbn s ILE 100 Cb -0.35 -3.77 -0.02 0.00 0.13 0.00 0.00 42.46 38.46 2bbn s ILE 100 CO 0.45 0.34 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.75 2bbn s SER 101 N -1.53 1.56 0.61 4.50 1.04 -1.26 -3.38 113.70 115.23 2bbn s SER 101 Ca 0.35 -0.42 0.27 0.00 0.48 0.00 0.00 55.95 56.63 2bbn s SER 101 Cb -0.16 -0.10 1.25 0.00 0.10 0.00 0.00 66.02 67.11 2bbn s SER 101 CO 0.19 0.04 1.67 0.00 0.98 0.00 0.00 173.24 176.11 2bbn h ALA 102 N 5.05 2.36 0.16 5.32 0.00 -1.97 -1.46 119.26 128.72 2bbn h ALA 102 Ca -0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2bbn h ALA 102 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bbn h ALA 102 CO 0.45 -1.04 -0.08 0.00 0.00 0.00 0.00 179.25 178.58 2bbn h ALA 103 N 1.08 -0.29 -0.41 0.00 0.00 -1.96 -2.64 119.26 115.05 2bbn h ALA 103 Ca 0.28 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2bbn h ALA 103 Cb 1.75 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.53 2bbn h ALA 103 CO -0.00 -0.27 -0.43 0.93 0.00 0.00 0.00 179.25 179.48 2bbn h GLU 104 N -0.75 -0.31 -0.31 0.00 5.08 -1.68 -1.20 114.58 115.40 2bbn h GLU 104 Ca -0.02 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2bbn h GLU 104 Cb 0.17 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 2bbn h GLU 104 CO 0.04 -0.21 -0.31 1.25 -1.00 0.00 0.00 179.01 178.78 2bbn h LEU 105 N -0.32 -1.00 -1.06 1.33 6.46 -1.52 0.64 115.31 119.84 2bbn h LEU 105 Ca 0.14 0.17 0.37 0.00 -0.12 0.00 0.00 57.88 58.44 2bbn h LEU 105 Cb 0.58 0.46 -0.15 0.00 -0.73 0.00 0.00 40.66 40.82 2bbn h LEU 105 CO -0.58 -0.32 0.60 -0.09 -0.62 0.00 0.00 178.44 177.43 2bbn h ARG 106 N -0.28 0.19 0.00 1.25 2.43 -0.84 1.35 114.38 118.49 2bbn h ARG 106 Ca 0.15 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 2bbn h ARG 106 Cb 0.52 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2bbn h ARG 106 CO -0.47 0.13 -0.63 1.25 -1.51 0.00 0.00 179.97 178.73 2bbn h HIS 107 N 0.19 0.00 0.00 2.20 2.76 -0.48 -2.65 115.15 117.17 2bbn h HIS 107 Ca 0.78 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.93 2bbn h HIS 107 Cb 1.97 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.92 2bbn h HIS 107 CO -0.01 0.63 -0.08 0.28 -1.30 0.00 0.00 177.93 177.45 2bbn h VAL 108 N 0.00 1.58 -0.97 5.26 2.07 0.23 -2.11 116.25 122.31 2bbn h VAL 108 Ca -0.01 -2.22 0.06 0.00 0.82 0.00 0.00 66.70 65.35 2bbn h VAL 108 Cb 1.23 3.02 -0.06 0.00 -1.52 0.00 0.00 31.29 33.96 2bbn h VAL 108 CO 0.08 0.54 0.63 -0.03 0.02 0.00 0.00 177.57 178.80 2bbn h MET 109 N -1.00 1.12 -0.01 1.57 -1.53 -0.76 -1.92 114.93 112.41 2bbn h MET 109 Ca -0.02 -0.07 -0.19 0.00 -3.44 0.00 0.00 59.70 55.98 2bbn h MET 109 Cb 0.93 -0.25 -0.01 0.00 -0.55 0.00 0.00 31.60 31.72 2bbn h MET 109 CO -0.01 0.74 -0.84 0.00 0.14 0.00 0.00 176.91 176.94 2bbn h THR 110 N 1.15 1.48 0.00 -0.77 1.03 -1.59 -2.96 112.91 111.25 2bbn h THR 110 Ca 0.41 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 64.27 2bbn h THR 110 Cb 0.13 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 2bbn h THR 110 CO -0.16 0.74 0.00 0.59 -0.01 0.00 0.00 175.52 176.68 2bbn n ASN 111 N -3.68 0.00 0.00 0.00 3.02 -0.73 -3.49 115.26 110.38 2bbn n ASN 111 Ca -0.03 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 2bbn n ASN 111 Cb 0.78 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2bbn n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bbn n LEU 112 N -1.47 1.66 0.00 3.41 4.77 -1.12 -5.05 117.00 119.20 2bbn n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2bbn n LEU 112 Cb 0.01 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2bbn n LEU 112 CO 0.00 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2bbn n GLY 113 N 2.49 1.69 3.57 -0.72 0.00 -1.23 -5.10 105.19 105.90 2bbn n GLY 113 Ca 0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 1.19 -3.69 1.61 4.71 -1.26 -4.86 120.64 118.34 2bbn n GLU 114 Ca 0.00 0.43 -0.38 0.00 -0.01 0.00 0.00 57.16 57.19 2bbn n GLU 114 Cb 0.00 -1.86 -0.11 0.00 -1.01 0.00 0.00 31.44 28.46 2bbn n GLU 114 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2bbn s LYS 115 N -1.76 2.33 0.56 3.49 2.20 -1.26 -4.30 119.74 121.00 2bbn s LYS 115 Ca 0.62 -1.64 -0.04 0.00 -0.36 0.00 0.00 55.97 54.54 2bbn s LYS 115 Cb -0.62 -3.68 0.01 0.00 -1.51 0.00 0.00 37.83 32.03 2bbn s LYS 115 CO 0.58 -1.02 0.84 -0.51 -0.36 0.00 0.00 175.35 174.89 2bbn s LEU 116 N 1.29 3.32 0.61 5.43 1.43 -1.26 -5.07 118.68 124.42 2bbn s LEU 116 Ca 0.05 0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 53.63 2bbn s LEU 116 Cb -0.23 -3.40 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2bbn s LEU 116 CO -0.01 -1.00 0.96 0.28 0.23 0.00 0.00 176.35 176.81 2bbn s THR 117 N -2.88 3.88 0.44 5.49 -1.32 -1.26 -4.95 115.64 115.03 2bbn s THR 117 Ca 0.53 0.26 0.14 0.00 -1.21 0.00 0.00 61.69 61.40 2bbn s THR 117 Cb -0.10 -3.56 0.18 0.00 -1.51 0.00 0.00 72.50 67.51 2bbn s THR 117 CO 0.43 -0.63 1.98 0.44 -2.21 0.00 0.00 174.62 174.63 2bbn h ASP 118 N -0.28 0.03 -0.72 8.08 3.32 -1.98 -1.94 116.42 122.94 2bbn h ASP 118 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2bbn h ASP 118 Cb 1.24 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 2bbn h ASP 118 CO 0.62 0.21 0.47 -0.33 -1.72 0.00 0.00 179.24 178.49 2bbn h GLU 119 N 0.03 0.95 0.18 3.56 5.08 -1.97 -2.17 114.58 120.24 2bbn h GLU 119 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2bbn h GLU 119 Cb 0.33 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2bbn h GLU 119 CO 0.02 0.64 -0.08 1.49 -1.00 0.00 0.00 179.01 180.08 2bbn h GLU 120 N 0.98 -0.23 -0.63 2.33 4.81 -1.72 -2.79 114.58 117.33 2bbn h GLU 120 Ca 0.26 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.61 2bbn h GLU 120 Cb -0.10 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.22 2bbn h GLU 120 CO -0.06 -0.15 -0.37 0.28 -0.73 0.00 0.00 179.01 177.98 2bbn h VAL 121 N -0.24 0.13 0.00 0.32 2.07 -1.58 -2.24 116.25 114.70 2bbn h VAL 121 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2bbn h VAL 121 Cb 0.18 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2bbn h VAL 121 CO 0.04 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.96 2bbn n ASP 122 N -5.43 0.00 -0.36 0.57 2.03 -0.82 0.19 116.55 112.73 2bbn n ASP 122 Ca 0.04 0.87 0.36 0.00 0.52 0.00 0.00 54.79 56.58 2bbn n ASP 122 Cb 0.36 -0.42 0.74 0.00 -0.72 0.00 0.00 41.12 41.08 2bbn n ASP 122 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2bbn h GLU 123 N 0.00 0.03 -0.15 -0.67 4.39 -1.18 0.55 114.58 117.56 2bbn h GLU 123 Ca 0.00 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 2bbn h GLU 123 Cb 0.00 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2bbn h GLU 123 CO 0.00 0.02 -0.55 1.98 -1.16 0.00 0.00 179.01 179.30 2bbn h MET 124 N 0.03 0.63 -0.23 2.33 4.05 0.27 -2.90 114.93 119.10 2bbn h MET 124 Ca 0.61 -0.48 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 2bbn h MET 124 Cb 2.36 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 33.19 2bbn h MET 124 CO -0.04 1.11 -0.21 0.82 0.23 0.00 0.00 176.91 178.82 2bbn h ILE 125 N 0.30 0.45 -0.03 1.77 1.08 0.51 0.24 117.51 121.82 2bbn h ILE 125 Ca -0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.47 2bbn h ILE 125 Cb 1.18 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 2bbn h ILE 125 CO 0.12 0.00 -0.51 0.03 -0.69 0.00 0.00 178.15 177.09 2bbn h ARG 126 N -0.22 -0.61 -0.94 2.37 2.47 -1.49 0.21 114.38 116.17 2bbn h ARG 126 Ca 0.13 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 59.10 2bbn h ARG 126 Cb 0.42 0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 28.76 2bbn h ARG 126 CO -0.36 -0.41 0.51 0.93 0.56 0.00 0.00 179.97 181.20 2bbn h GLU 127 N -0.63 0.55 -0.75 0.04 5.08 -1.17 0.22 114.58 117.93 2bbn h GLU 127 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bbn h GLU 127 Cb 0.70 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2bbn h GLU 127 CO -0.37 0.37 0.45 0.00 -1.00 0.00 0.00 179.01 178.46 2bbn h ALA 128 N 1.68 0.95 -2.63 3.43 0.00 0.19 -3.41 119.26 119.47 2bbn h ALA 128 Ca 0.57 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.87 2bbn h ALA 128 Cb 1.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2bbn h ALA 128 CO -0.45 0.41 0.27 0.34 0.00 0.00 0.00 179.25 179.81 2bbn s ASP 129 N -5.96 7.38 -0.02 0.00 -1.08 0.78 -4.96 116.67 112.81 2bbn s ASP 129 Ca -0.13 1.65 -0.06 0.00 -0.52 0.00 0.00 52.55 53.49 2bbn s ASP 129 Cb 0.15 -2.53 -0.29 0.00 -1.46 0.00 0.00 42.92 38.78 2bbn s ASP 129 CO 0.79 -0.00 0.78 -0.29 0.52 0.00 0.00 175.17 176.96 2bbn h ILE 130 N 3.99 1.06 -0.30 4.11 6.09 -1.80 -3.31 117.51 127.34 2bbn h ILE 130 Ca -0.44 -2.67 0.00 0.00 -1.37 0.00 0.00 64.86 60.38 2bbn h ILE 130 Cb 1.21 2.76 0.00 0.00 0.47 0.00 0.00 36.82 41.26 2bbn h ILE 130 CO 0.71 0.83 0.00 -0.90 -3.07 0.00 0.00 178.15 175.72 2bbn n ASP 131 N -3.51 2.49 -3.19 2.19 5.75 -1.26 -4.91 116.55 114.11 2bbn n ASP 131 Ca -0.20 -1.87 -0.21 0.00 -0.01 0.00 0.00 54.79 52.50 2bbn n ASP 131 Cb 1.06 -0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.95 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 132 N 1.29 -0.49 0.37 6.12 0.00 -1.25 -4.79 105.19 106.44 2bbn n GLY 132 Ca 0.17 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.83 0.80 0.00 1.61 2.03 -1.91 -3.48 116.42 114.64 2bbn h ASP 133 Ca -0.41 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2bbn h ASP 133 Cb 1.28 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2bbn h ASP 133 CO 0.50 0.45 0.00 0.61 -1.03 0.00 0.00 179.24 179.77 2bbn n GLY 134 N -1.40 0.78 3.71 7.15 0.00 -1.26 -5.10 105.19 109.07 2bbn n GLY 134 Ca 0.16 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 1.06 -0.20 1.61 -0.21 -1.26 -4.80 119.66 115.86 2bbn s GLN 135 Ca 0.00 0.75 -0.14 0.00 0.02 0.00 0.00 55.36 56.00 2bbn s GLN 135 Cb 0.00 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.18 2bbn s GLN 135 CO 0.00 -2.36 0.30 0.08 -2.12 0.00 0.00 175.29 171.19 2bbn s VAL 136 N -2.94 5.28 0.00 1.09 1.01 -1.22 -4.96 120.40 118.66 2bbn s VAL 136 Ca 0.64 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2bbn s VAL 136 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2bbn s VAL 136 CO 0.57 0.32 0.00 -3.20 0.00 0.00 0.00 175.10 172.79 2bbn n ASN 137 N 4.16 0.00 -0.01 3.32 2.85 -1.26 -1.90 115.26 122.42 2bbn n ASN 137 Ca -0.11 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.26 2bbn n ASN 137 Cb 0.52 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.40 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2bbn h TYR 138 N 0.00 0.06 0.00 1.20 3.20 -1.98 -3.34 116.97 116.12 2bbn h TYR 138 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2bbn h TYR 138 Cb 0.00 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2bbn h TYR 138 CO 0.00 1.09 0.00 -1.91 -1.64 0.00 0.00 178.16 175.70 2bbn n GLU 139 N -3.13 0.00 -0.53 1.82 2.13 -1.26 -0.73 120.64 118.94 2bbn n GLU 139 Ca -0.17 0.25 0.45 0.00 0.66 0.00 0.00 57.16 58.35 2bbn n GLU 139 Cb 1.04 -1.11 0.72 0.00 0.27 0.00 0.00 31.44 32.36 2bbn n GLU 139 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 140 N 0.00 0.00 0.01 5.31 5.08 -1.99 0.66 114.58 123.65 2bbn h GLU 140 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 140 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bbn h GLU 140 CO 0.00 0.00 -0.00 0.35 -1.00 0.00 0.00 179.01 178.36 2bbn h PHE 141 N 0.00 -0.01 0.00 4.33 3.04 -1.66 -2.80 116.94 119.83 2bbn h PHE 141 Ca 0.77 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.72 2bbn h PHE 141 Cb 3.36 0.00 0.00 0.00 2.56 0.00 0.00 35.95 41.87 2bbn h PHE 141 CO 0.00 0.82 0.00 1.55 -2.02 0.00 0.00 178.31 178.66 2bbn n VAL 142 N -4.68 0.81 0.02 1.41 3.14 0.16 -2.74 118.33 116.45 2bbn n VAL 142 Ca -0.09 0.17 -0.11 0.00 -2.96 0.00 0.00 64.34 61.35 2bbn n VAL 142 Cb 0.40 -1.08 -0.09 0.00 -1.06 0.00 0.00 33.84 32.02 2bbn n VAL 142 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2bbn h THR 143 N 0.00 1.05 -0.71 1.55 2.02 0.03 -1.10 112.91 115.76 2bbn h THR 143 Ca 0.00 -1.30 0.07 0.00 0.77 0.00 0.00 66.41 65.95 2bbn h THR 143 Cb 0.40 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.54 2bbn h THR 143 CO 0.00 0.28 0.39 0.24 0.37 0.00 0.00 175.52 176.80 2bbn h MET 144 N -0.82 0.67 0.81 6.66 2.86 -1.31 -2.89 114.93 120.92 2bbn h MET 144 Ca -0.01 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2bbn h MET 144 Cb 0.57 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.09 2bbn h MET 144 CO 0.02 0.45 -0.39 0.52 1.06 0.00 0.00 176.91 178.57 2bbn h MET 145 N 0.69 -1.05 -5.15 1.72 2.07 -1.56 -3.42 114.93 108.24 2bbn h MET 145 Ca 0.33 0.07 -0.62 0.00 -2.07 0.00 0.00 59.70 57.41 2bbn h MET 145 Cb 0.25 0.24 -0.16 0.00 -1.87 0.00 0.00 31.60 30.05 2bbn h MET 145 CO -0.21 -0.70 -0.55 0.95 1.07 0.00 0.00 176.91 177.47 2bbn s THR 146 N -5.20 4.93 0.00 2.22 -4.23 -0.42 -4.84 115.64 108.12 2bbn s THR 146 Ca -0.16 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2bbn s THR 146 Cb 0.02 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2bbn s THR 146 CO 0.48 0.40 0.00 -1.54 -0.54 0.00 0.00 174.62 173.41 2bbn n SER 147 N 4.06 0.00 -0.52 3.99 3.41 -1.24 -4.32 113.62 118.99 2bbn n SER 147 Ca -0.16 -0.74 0.14 0.00 -0.26 0.00 0.00 58.87 57.85 2bbn n SER 147 Cb 0.52 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.96 2bbn n SER 147 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17