#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbn h ASP 2 N 0.00 0.00 -0.02 0.00 2.03 -2.10 -3.28 116.42 113.05 2bbn h ASP 2 Ca 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 2bbn h ASP 2 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2bbn h ASP 2 CO 0.00 0.05 -0.04 0.00 -1.03 0.00 0.00 179.24 178.22 2bbn n GLN 3 N -2.47 1.82 0.07 4.15 10.64 -1.26 -4.19 117.38 126.14 2bbn n GLN 3 Ca 0.02 -1.65 0.12 0.00 -1.83 0.00 0.00 57.00 53.66 2bbn n GLN 3 Cb 0.49 -1.39 0.04 0.00 -0.86 0.00 0.00 30.24 28.52 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2bbn n LEU 4 N 1.04 0.71 0.00 2.61 4.32 -1.23 -4.74 117.00 119.70 2bbn n LEU 4 Ca 0.12 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 2bbn n LEU 4 Cb 0.50 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2bbn n LEU 4 CO 0.14 -0.08 0.00 0.35 -1.22 0.00 0.00 177.39 176.57 2bbn n THR 5 N -2.32 0.00 -0.60 -5.08 -2.24 -1.26 -4.61 114.28 98.17 2bbn n THR 5 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2bbn n THR 5 Cb 0.49 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.17 -0.07 -0.78 1.02 -1.26 -4.69 120.64 113.69 2bbn n GLU 6 Ca 0.00 0.22 -0.06 0.00 -0.02 0.00 0.00 57.16 57.30 2bbn n GLU 6 Cb 0.00 -4.07 -0.02 0.00 -0.02 0.00 0.00 31.44 27.33 2bbn n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2bbn n GLU 7 N -0.08 0.44 -0.07 3.49 0.00 -1.26 -3.57 120.64 119.59 2bbn n GLU 7 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 57.16 57.46 2bbn n GLU 7 Cb 0.22 -1.53 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 2bbn n GLU 7 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2bbn h GLN 8 N -0.92 0.33 -0.61 5.31 4.15 -1.97 -2.34 115.11 119.06 2bbn h GLN 8 Ca 0.00 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.52 2bbn h GLN 8 Cb 0.63 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.16 2bbn h GLN 8 CO 0.00 0.24 0.09 0.82 -1.93 0.00 0.00 178.83 178.05 2bbn h ILE 9 N 0.33 0.59 -0.90 2.39 2.04 -1.94 0.26 117.51 120.27 2bbn h ILE 9 Ca 0.09 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.99 2bbn h ILE 9 Cb -0.02 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 2bbn h ILE 9 CO -0.02 0.04 0.58 0.00 0.00 0.00 0.00 178.15 178.75 2bbn h ALA 10 N 1.51 1.67 0.39 1.87 0.00 -1.49 -0.84 119.26 122.37 2bbn h ALA 10 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2bbn h ALA 10 Cb 0.50 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bbn h ALA 10 CO -0.44 0.13 -0.25 1.49 0.00 0.00 0.00 179.25 180.17 2bbn h GLU 11 N 0.85 -0.58 -0.91 0.00 4.81 -0.06 0.18 114.58 118.87 2bbn h GLU 11 Ca 0.43 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.94 2bbn h GLU 11 Cb 0.49 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2bbn h GLU 11 CO -0.19 -0.39 0.63 0.74 -0.73 0.00 0.00 179.01 179.07 2bbn h PHE 12 N -0.61 0.22 0.10 0.92 0.04 -1.17 0.15 116.94 116.59 2bbn h PHE 12 Ca -0.05 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2bbn h PHE 12 Cb 0.49 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2bbn h PHE 12 CO -0.03 0.05 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.46 2bbn h LYS 13 N 0.15 -0.13 -0.67 1.51 3.64 -0.39 -1.82 116.57 118.86 2bbn h LYS 13 Ca 0.45 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.96 2bbn h LYS 13 Cb 1.53 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 33.25 2bbn h LYS 13 CO -0.08 0.16 -0.29 0.93 -2.27 0.00 0.00 179.45 177.90 2bbn h GLU 14 N -0.43 -0.09 -0.70 1.90 5.08 0.14 1.24 114.58 121.72 2bbn h GLU 14 Ca -0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2bbn h GLU 14 Cb 0.36 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2bbn h GLU 14 CO 0.02 -0.06 0.46 0.00 -1.00 0.00 0.00 179.01 178.43 2bbn h ALA 15 N 1.26 1.68 0.00 3.43 0.00 -1.42 0.50 119.26 124.71 2bbn h ALA 15 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bbn h ALA 15 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bbn h ALA 15 CO -0.73 0.23 0.00 0.34 0.00 0.00 0.00 179.25 179.08 2bbn n PHE 16 N -4.47 0.00 0.50 0.00 7.35 0.39 -2.33 117.46 118.91 2bbn n PHE 16 Ca 0.10 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.84 2bbn n PHE 16 Cb 0.19 -0.31 -0.06 0.00 0.35 0.00 0.00 39.48 39.65 2bbn n PHE 16 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2bbn n SER 17 N -1.31 0.55 -0.10 -2.13 2.88 0.16 -4.47 113.62 109.20 2bbn n SER 17 Ca 0.09 -0.77 -0.16 0.00 -1.33 0.00 0.00 58.87 56.70 2bbn n SER 17 Cb 0.17 0.97 -0.06 0.00 -0.75 0.00 0.00 64.21 64.54 2bbn n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbn n LEU 18 N -1.20 1.88 -0.28 2.46 7.94 -0.24 -4.23 117.00 123.33 2bbn n LEU 18 Ca 0.02 0.46 0.30 0.00 -1.11 0.00 0.00 56.01 55.68 2bbn n LEU 18 Cb 0.17 -0.87 0.69 0.00 0.53 0.00 0.00 43.42 43.94 2bbn n LEU 18 CO 0.21 -0.01 1.28 0.15 -1.11 0.00 0.00 177.39 177.92 2bbn h PHE 19 N -1.00 0.15 -3.63 1.96 3.04 -1.77 -3.08 116.94 112.61 2bbn h PHE 19 Ca -0.24 0.00 -0.79 0.00 3.98 0.00 0.00 57.97 60.93 2bbn h PHE 19 Cb 1.06 -0.04 -0.28 0.00 2.56 0.00 0.00 35.95 39.24 2bbn h PHE 19 CO -0.14 0.02 0.27 -0.51 -2.02 0.00 0.00 178.31 175.93 2bbn s ASP 20 N -5.34 6.97 -0.10 0.41 1.11 -1.26 -4.81 116.67 113.65 2bbn s ASP 20 Ca -0.06 -3.30 0.13 0.00 0.18 0.00 0.00 52.55 49.51 2bbn s ASP 20 Cb 0.23 -2.17 0.56 0.00 1.07 0.00 0.00 42.92 42.60 2bbn s ASP 20 CO 0.79 -0.37 1.42 2.29 1.18 0.00 0.00 175.17 180.49 2bbn n LYS 21 N 3.10 3.17 0.00 8.23 2.85 -1.17 -4.47 118.16 129.87 2bbn n LYS 21 Ca 0.20 -2.20 0.00 0.00 -1.05 0.00 0.00 58.31 55.26 2bbn n LYS 21 Cb 0.41 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2bbn n ASP 22 N 0.77 0.00 0.00 -5.58 5.75 -1.26 -5.00 116.55 111.24 2bbn n ASP 22 Ca 0.20 0.42 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 2bbn n ASP 22 Cb 0.73 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.96 0.00 0.00 6.12 0.00 -1.26 -5.10 105.19 106.91 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 0.00 0.00 1.61 5.75 -1.26 -5.12 116.55 117.52 2bbn n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2bbn n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.18 0.16 3.51 6.12 0.00 -1.26 -5.10 105.19 109.79 2bbn n GLY 25 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -0.45 -0.73 2.61 -4.23 -1.26 -4.81 115.64 106.77 2bbn s THR 26 Ca 0.00 0.05 -0.26 0.00 -1.18 0.00 0.00 61.69 60.30 2bbn s THR 26 Cb 0.00 -0.87 -0.00 0.00 1.34 0.00 0.00 72.50 72.97 2bbn s THR 26 CO 0.00 0.02 1.64 -0.63 -0.54 0.00 0.00 174.62 175.11 2bbn s ILE 27 N 2.19 3.54 0.44 2.99 -1.09 -1.16 -4.77 121.20 123.34 2bbn s ILE 27 Ca -0.07 0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.52 2bbn s ILE 27 Cb -0.09 -4.38 -0.06 0.00 -1.58 0.00 0.00 42.46 36.35 2bbn s ILE 27 CO -0.17 -1.33 0.01 0.42 -1.23 0.00 0.00 174.94 172.64 2bbn s THR 28 N 7.71 1.75 -0.59 2.92 -4.23 -1.26 -3.33 115.64 118.62 2bbn s THR 28 Ca 0.55 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 2bbn s THR 28 Cb -0.09 -2.76 0.09 0.00 1.34 0.00 0.00 72.50 71.08 2bbn s THR 28 CO 0.13 0.00 1.26 0.35 -0.54 0.00 0.00 174.62 175.82 2bbn n THR 29 N -1.05 1.46 -0.06 3.99 -2.24 -1.26 -0.64 114.28 114.48 2bbn n THR 29 Ca -0.09 0.61 -0.08 0.00 -2.27 0.00 0.00 64.05 62.22 2bbn n THR 29 Cb 0.67 -1.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.22 2bbn n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2bbn h LYS 30 N 0.00 0.00 0.00 -0.78 3.64 -1.94 -2.38 116.57 115.12 2bbn h LYS 30 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2bbn h LYS 30 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2bbn h LYS 30 CO 0.00 0.57 -0.39 0.93 -2.27 0.00 0.00 179.45 178.29 2bbn h GLU 31 N -1.00 0.00 -0.02 1.90 3.07 -1.71 -2.78 114.58 114.04 2bbn h GLU 31 Ca -0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2bbn h GLU 31 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2bbn h GLU 31 CO -0.00 0.39 -0.16 1.25 -1.40 0.00 0.00 179.01 179.09 2bbn h LEU 32 N 0.00 0.18 -0.05 1.33 5.85 -1.01 -2.80 115.31 118.80 2bbn h LEU 32 Ca -0.00 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 2bbn h LEU 32 Cb 1.09 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2bbn h LEU 32 CO 0.05 0.84 0.03 1.23 -0.34 0.00 0.00 178.44 180.25 2bbn h GLY 33 N -0.48 0.08 0.13 3.75 0.00 -1.45 0.71 103.07 105.81 2bbn h GLY 33 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2bbn h GLY 33 CO 0.03 0.03 -0.50 -0.91 0.00 0.00 0.00 176.54 175.19 2bbn h THR 34 N 0.03 0.00 0.64 4.70 1.35 -1.58 0.28 112.91 118.33 2bbn h THR 34 Ca 0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.85 2bbn h THR 34 Cb 0.04 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.46 2bbn h THR 34 CO -0.00 0.00 -0.31 0.58 -0.25 0.00 0.00 175.52 175.54 2bbn h VAL 35 N -0.73 0.19 -0.94 6.82 2.07 -1.43 -2.71 116.25 119.51 2bbn h VAL 35 Ca -0.01 -0.31 0.28 0.00 0.82 0.00 0.00 66.70 67.48 2bbn h VAL 35 Cb 0.73 0.25 -0.17 0.00 -1.52 0.00 0.00 31.29 30.58 2bbn h VAL 35 CO -0.27 0.02 0.21 -0.03 0.02 0.00 0.00 177.57 177.52 2bbn h MET 36 N -1.12 0.09 -0.06 1.57 -1.53 0.51 0.54 114.93 114.93 2bbn h MET 36 Ca -0.09 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.19 2bbn h MET 36 Cb 0.70 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.71 2bbn h MET 36 CO 0.14 0.06 -0.06 -0.09 0.14 0.00 0.00 176.91 177.10 2bbn h ARG 37 N 0.09 -0.07 0.00 0.39 2.43 -0.33 0.32 114.38 117.21 2bbn h ARG 37 Ca 0.62 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 2bbn h ARG 37 Cb 1.36 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2bbn h ARG 37 CO -0.78 -0.05 0.00 0.45 -1.51 0.00 0.00 179.97 178.08 2bbn n SER 38 N -5.18 0.00 -0.07 -3.80 2.88 0.17 -1.21 113.62 106.41 2bbn n SER 38 Ca -0.05 -0.75 -0.06 0.00 -1.33 0.00 0.00 58.87 56.68 2bbn n SER 38 Cb 0.11 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.90 0.00 0.00 2.46 7.94 0.41 -4.92 117.00 121.99 2bbn n LEU 39 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2bbn n LEU 39 Cb 0.06 0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.33 2bbn n LEU 39 CO 0.09 0.32 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 2bbn n GLY 40 N 2.11 0.00 1.27 -3.96 0.00 0.83 -5.07 105.19 100.38 2bbn n GLY 40 Ca -0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.93 -3.87 1.61 7.27 -0.35 -4.90 117.38 114.20 2bbn n GLN 41 Ca 0.00 2.38 -0.11 0.00 0.07 0.00 0.00 57.00 59.34 2bbn n GLN 41 Cb 0.00 -3.43 -0.11 0.00 2.41 0.00 0.00 30.24 29.11 2bbn n GLN 41 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2bbn s ASN 42 N -6.89 0.01 1.14 1.69 2.20 -1.26 -4.33 114.94 107.49 2bbn s ASN 42 Ca 0.00 -0.10 -0.08 0.00 -0.94 0.00 0.00 52.86 51.74 2bbn s ASN 42 Cb 0.00 0.21 0.13 0.00 -2.00 0.00 0.00 41.25 39.59 2bbn s ASN 42 CO 0.00 -0.25 0.30 -0.81 -2.94 0.00 0.00 177.10 173.40 2bbn n PRO 43 N 1.99 -2.87 -1.97 3.55 -0.04 -1.26 -4.91 135.00 129.49 2bbn n PRO 43 Ca -0.20 -0.50 -0.36 0.00 -0.04 0.00 0.00 63.50 62.40 2bbn n PRO 43 Cb 0.57 -0.67 0.04 0.00 -0.04 0.00 0.00 33.50 33.40 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bbn s THR 44 N -1.37 2.51 0.32 0.52 -4.23 -1.26 -4.86 115.64 107.28 2bbn s THR 44 Ca 0.23 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 2bbn s THR 44 Cb -0.04 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.96 2bbn s THR 44 CO 0.19 -0.06 1.86 -0.33 -0.54 0.00 0.00 174.62 175.74 2bbn h GLU 45 N 0.96 0.82 0.17 3.99 3.07 -1.99 -1.97 114.58 119.63 2bbn h GLU 45 Ca -0.51 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.32 2bbn h GLU 45 Cb 1.30 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 2bbn h GLU 45 CO 0.55 0.54 -0.40 0.00 -1.40 0.00 0.00 179.01 178.31 2bbn h ALA 46 N 1.57 -0.73 -0.73 3.43 0.00 -2.00 -0.03 119.26 120.78 2bbn h ALA 46 Ca 0.47 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.44 2bbn h ALA 46 Cb 0.58 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2bbn h ALA 46 CO -0.23 -0.97 0.49 0.93 0.00 0.00 0.00 179.25 179.47 2bbn h GLU 47 N -0.66 0.35 -0.45 0.00 5.08 -1.74 0.14 114.58 117.30 2bbn h GLU 47 Ca 0.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2bbn h GLU 47 Cb 0.67 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2bbn h GLU 47 CO -0.20 0.23 0.04 1.25 -1.00 0.00 0.00 179.01 179.33 2bbn h LEU 48 N 0.36 0.74 -0.48 1.33 5.85 -0.59 -1.17 115.31 121.36 2bbn h LEU 48 Ca 0.35 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2bbn h LEU 48 Cb 0.87 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2bbn h LEU 48 CO -0.10 0.83 0.18 1.56 -0.34 0.00 0.00 178.44 180.57 2bbn h GLN 49 N 0.61 0.72 -0.71 1.25 4.20 0.73 -1.67 115.11 120.24 2bbn h GLN 49 Ca 0.13 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2bbn h GLN 49 Cb 0.43 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2bbn h GLN 49 CO 0.01 0.66 0.40 -0.44 -0.67 0.00 0.00 178.83 178.79 2bbn h ASP 50 N 0.63 0.87 -0.37 1.46 5.19 -1.17 -2.10 116.42 120.93 2bbn h ASP 50 Ca 0.16 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 2bbn h ASP 50 Cb 0.21 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 2bbn h ASP 50 CO -0.01 0.71 0.19 -0.03 -3.12 0.00 0.00 179.24 176.98 2bbn h MET 51 N 0.97 0.38 -0.43 3.56 1.85 -0.89 0.14 114.93 120.52 2bbn h MET 51 Ca 0.25 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.37 2bbn h MET 51 Cb 0.02 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 2bbn h MET 51 CO -0.04 0.25 0.29 0.82 -0.40 0.00 0.00 176.91 177.83 2bbn h ILE 52 N 0.39 0.98 0.00 1.77 5.03 -0.88 -0.97 117.51 123.83 2bbn h ILE 52 Ca 0.15 -0.13 -0.18 0.00 -0.12 0.00 0.00 64.86 64.58 2bbn h ILE 52 Cb 0.05 0.58 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 2bbn h ILE 52 CO -0.10 0.07 -0.88 0.78 -0.68 0.00 0.00 178.15 177.34 2bbn h ASN 53 N 0.37 0.00 0.00 1.72 2.35 -0.56 -1.14 115.58 118.32 2bbn h ASN 53 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2bbn h ASN 53 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2bbn h ASN 53 CO -0.04 0.87 0.00 -0.62 -1.65 0.00 0.00 177.43 175.98 2bbn n GLU 54 N -3.31 0.37 0.00 0.81 -0.58 0.37 -3.13 120.64 115.17 2bbn n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2bbn n GLU 54 Cb 0.89 -1.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.73 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2bbn n VAL 55 N -0.40 0.00 -1.58 2.62 3.14 -1.20 -5.07 118.33 115.84 2bbn n VAL 55 Ca 0.00 0.00 -0.55 0.00 -2.96 0.00 0.00 64.34 60.83 2bbn n VAL 55 Cb 0.01 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.72 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2bbn n ASP 56 N -0.40 1.24 0.17 6.55 -0.08 -0.43 -4.88 116.55 118.71 2bbn n ASP 56 Ca 0.00 1.13 -0.09 0.00 -1.51 0.00 0.00 54.79 54.32 2bbn n ASP 56 Cb 0.00 -1.11 -0.05 0.00 2.34 0.00 0.00 41.12 42.31 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bbn h ALA 57 N 4.34 -0.49 0.08 -1.67 0.00 -1.91 -3.39 119.26 116.22 2bbn h ALA 57 Ca -0.48 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.03 2bbn h ALA 57 Cb 1.36 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2bbn h ALA 57 CO 0.76 -0.48 -1.30 0.38 0.00 0.00 0.00 179.25 178.61 2bbn h ASP 58 N -1.09 0.27 0.00 0.00 2.03 -1.99 -3.49 116.42 112.16 2bbn h ASP 58 Ca -0.05 -0.80 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 2bbn h ASP 58 Cb 0.45 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 2bbn h ASP 58 CO 0.08 1.56 0.00 0.61 -1.03 0.00 0.00 179.24 180.46 2bbn n GLY 59 N 1.68 1.35 0.21 7.15 0.00 -1.26 -4.99 105.19 109.33 2bbn n GLY 59 Ca -0.26 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.90 2bbn n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bbn h ASN 60 N 0.00 0.00 0.00 1.61 -0.26 -1.94 -3.44 115.58 111.55 2bbn h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2bbn h ASN 60 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2bbn h ASN 60 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2bbn n GLY 61 N -1.24 2.10 3.22 2.83 0.00 -1.26 -4.97 105.19 105.87 2bbn n GLY 61 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.29 0.14 -0.19 2.61 -4.23 -1.26 -4.70 115.64 104.72 2bbn s THR 62 Ca 0.00 -1.21 -0.08 0.00 -1.18 0.00 0.00 61.69 59.22 2bbn s THR 62 Cb 0.00 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 2bbn s THR 62 CO 0.00 -0.62 0.07 -0.63 -0.54 0.00 0.00 174.62 172.90 2bbn s ILE 63 N -3.87 4.80 0.00 2.99 1.09 -1.21 -4.99 121.20 120.01 2bbn s ILE 63 Ca 0.06 -0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.58 2bbn s ILE 63 Cb 0.05 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 2bbn s ILE 63 CO -0.10 0.45 0.00 -0.67 -0.10 0.00 0.00 174.94 174.52 2bbn n ASP 64 N 3.62 0.00 -0.08 3.58 2.03 -1.26 -2.96 116.55 121.47 2bbn n ASP 64 Ca -0.16 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.04 2bbn n ASP 64 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 2bbn n ASP 64 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2bbn n PHE 65 N 0.00 0.00 0.09 -0.67 3.72 -1.26 -4.27 117.46 115.07 2bbn n PHE 65 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2bbn n PHE 65 Cb 0.00 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 37.82 2bbn n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bbn h PRO 66 N 0.00 -0.24 -0.33 -1.08 0.14 -2.00 -2.90 132.00 125.59 2bbn h PRO 66 Ca -0.37 0.02 0.01 0.00 0.14 0.00 0.00 66.00 65.80 2bbn h PRO 66 Cb 1.60 0.06 -0.02 0.00 0.14 0.00 0.00 31.00 32.78 2bbn h PRO 66 CO -0.05 0.10 0.20 0.93 0.14 0.00 0.00 178.00 179.32 2bbn h GLU 67 N -0.62 0.40 -0.73 0.86 5.08 -1.97 -1.67 114.58 115.93 2bbn h GLU 67 Ca -0.03 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2bbn h GLU 67 Cb 0.45 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.47 2bbn h GLU 67 CO 0.04 0.27 -0.21 0.35 -1.00 0.00 0.00 179.01 178.46 2bbn h PHE 68 N 0.42 -0.47 0.74 4.33 3.04 -1.73 0.61 116.94 123.88 2bbn h PHE 68 Ca 0.13 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 2bbn h PHE 68 Cb -0.02 0.32 0.01 0.00 2.56 0.00 0.00 35.95 38.82 2bbn h PHE 68 CO -0.07 -0.33 -0.35 -0.07 -2.02 0.00 0.00 178.31 175.47 2bbn h LEU 69 N -0.02 -0.84 -2.00 0.59 4.07 -1.23 -2.75 115.31 113.13 2bbn h LEU 69 Ca 0.34 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.52 2bbn h LEU 69 Cb 0.55 0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.48 2bbn h LEU 69 CO -0.76 -0.52 0.47 0.71 -1.08 0.00 0.00 178.44 177.26 2bbn h THR 70 N -1.16 0.62 -0.12 0.22 1.35 -0.77 -0.27 112.91 112.78 2bbn h THR 70 Ca -0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2bbn h THR 70 Cb 0.76 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2bbn h THR 70 CO 0.17 0.00 0.01 -0.03 -0.25 0.00 0.00 175.52 175.42 2bbn h MET 71 N 0.00 0.21 0.00 4.72 -1.53 0.39 0.96 114.93 119.68 2bbn h MET 71 Ca 0.30 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.45 2bbn h MET 71 Cb 1.24 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.26 2bbn h MET 71 CO -0.00 0.43 -0.20 1.98 0.14 0.00 0.00 176.91 179.25 2bbn h MET 72 N -0.03 0.00 -0.00 0.39 -1.53 -0.89 -2.84 114.93 110.03 2bbn h MET 72 Ca 0.04 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2bbn h MET 72 Cb 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 2bbn h MET 72 CO 0.00 0.20 -0.36 0.00 0.14 0.00 0.00 176.91 176.90 2bbn n ALA 73 N -2.18 3.25 -3.24 0.39 0.00 -0.25 -4.36 120.51 114.12 2bbn n ALA 73 Ca 0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.77 2bbn n ALA 73 Cb 0.50 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 2bbn n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bbn n ARG 74 N -1.22 3.44 0.00 0.00 5.12 0.31 -4.84 116.66 119.47 2bbn n ARG 74 Ca 0.08 -4.61 0.00 0.00 -1.93 0.00 0.00 57.85 51.39 2bbn n ARG 74 Cb 0.33 -2.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.25 2bbn n ARG 74 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2bbn n LYS 75 N 1.15 0.00 -1.07 5.56 4.76 -1.26 -4.90 118.16 122.40 2bbn n LYS 75 Ca 0.28 0.22 0.13 0.00 -2.87 0.00 0.00 58.31 56.06 2bbn n LYS 75 Cb 0.37 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2bbn n MET 76 N -1.18 -2.02 0.00 1.97 2.81 -1.26 -3.43 117.12 114.01 2bbn n MET 76 Ca 0.00 1.45 0.00 0.00 -1.81 0.00 0.00 57.70 57.34 2bbn n MET 76 Cb 0.04 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.02 2bbn n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2bbn n LYS 77 N -3.31 0.92 -1.66 0.03 4.81 -1.26 -4.89 118.16 112.80 2bbn n LYS 77 Ca -0.01 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 56.88 2bbn n LYS 77 Cb 0.62 -1.25 -0.06 0.00 0.02 0.00 0.00 35.03 34.35 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bbn n ASP 78 N 0.29 2.18 0.00 3.14 2.03 -1.22 -4.92 116.55 118.05 2bbn n ASP 78 Ca 0.00 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2bbn n ASP 78 Cb 0.34 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 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 3.74 0.00 -2.38 5.18 -2.24 -1.26 -3.97 114.28 113.34 2bbn n THR 79 Ca 0.23 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.64 2bbn n THR 79 Cb 0.17 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 2bbn n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2bbn s ASP 80 N -2.32 6.10 0.00 3.42 -4.77 -1.26 -4.76 116.67 113.08 2bbn s ASP 80 Ca 0.00 -1.86 0.00 0.00 -3.30 0.00 0.00 52.55 47.39 2bbn s ASP 80 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 2bbn s ASP 80 CO 0.00 -1.92 0.82 -1.54 0.70 0.00 0.00 175.17 173.23 2bbn n SER 81 N 10.72 2.42 -0.10 2.11 3.41 -1.25 -3.29 113.62 127.63 2bbn n SER 81 Ca 0.44 -1.72 -0.11 0.00 -0.26 0.00 0.00 58.87 57.22 2bbn n SER 81 Cb 0.47 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 2bbn n SER 81 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2bbn n GLU 82 N 0.52 0.78 0.08 4.33 0.28 -1.26 -4.27 120.64 121.11 2bbn n GLU 82 Ca 0.00 0.03 0.21 0.00 -0.16 0.00 0.00 57.16 57.23 2bbn n GLU 82 Cb 0.41 -1.50 0.74 0.00 1.43 0.00 0.00 31.44 32.52 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2bbn h GLU 83 N 0.00 0.00 0.78 3.44 5.08 -1.98 -1.85 114.58 120.04 2bbn h GLU 83 Ca -0.53 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 2bbn h GLU 83 Cb 2.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.38 2bbn h GLU 83 CO 0.00 0.00 -0.37 0.93 -1.00 0.00 0.00 179.01 178.57 2bbn h GLU 84 N 0.00 -1.00 -0.82 2.33 5.08 -1.83 0.62 114.58 118.95 2bbn h GLU 84 Ca 0.21 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2bbn h GLU 84 Cb 1.13 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 2bbn h GLU 84 CO -0.00 -0.67 0.43 0.82 -1.00 0.00 0.00 179.01 178.59 2bbn h ILE 85 N -1.16 0.79 0.57 3.13 5.03 -1.60 -2.14 117.51 122.14 2bbn h ILE 85 Ca -0.11 -0.23 -0.03 0.00 -0.12 0.00 0.00 64.86 64.38 2bbn h ILE 85 Cb 0.80 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 2bbn h ILE 85 CO 0.18 0.12 -0.31 0.03 -0.68 0.00 0.00 178.15 177.49 2bbn h ARG 86 N 0.66 -0.79 -1.07 2.37 3.08 -1.34 -1.98 114.38 115.32 2bbn h ARG 86 Ca 0.43 0.05 0.34 0.00 0.07 0.00 0.00 59.98 60.88 2bbn h ARG 86 Cb 0.53 0.18 -0.14 0.00 0.08 0.00 0.00 29.97 30.62 2bbn h ARG 86 CO -0.32 -0.53 0.64 0.93 -1.07 0.00 0.00 179.97 179.62 2bbn h GLU 87 N -0.82 0.26 -0.64 0.04 5.08 -0.25 1.46 114.58 119.72 2bbn h GLU 87 Ca -0.07 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2bbn h GLU 87 Cb 0.64 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2bbn h GLU 87 CO 0.10 0.17 0.42 0.00 -1.00 0.00 0.00 179.01 178.71 2bbn h ALA 88 N 1.78 0.82 -0.55 3.43 0.00 -0.86 -1.87 119.26 122.01 2bbn h ALA 88 Ca 0.74 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.65 2bbn h ALA 88 Cb 1.86 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2bbn h ALA 88 CO -0.54 0.24 0.30 0.35 0.00 0.00 0.00 179.25 179.59 2bbn h PHE 89 N 0.86 0.55 0.31 0.00 3.57 0.24 -2.72 116.94 119.76 2bbn h PHE 89 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2bbn h PHE 89 Cb -0.09 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 2bbn h PHE 89 CO -0.03 0.28 -0.37 -0.09 -2.23 0.00 0.00 178.31 175.87 2bbn h ARG 90 N 0.58 -0.69 -0.81 1.11 9.65 -0.59 -2.26 114.38 121.36 2bbn h ARG 90 Ca 0.24 0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.30 2bbn h ARG 90 Cb 0.12 0.16 -0.14 0.00 -1.39 0.00 0.00 29.97 28.71 2bbn h ARG 90 CO -0.15 -0.46 -0.36 0.28 2.80 0.00 0.00 179.97 182.08 2bbn h VAL 91 N -0.72 0.08 -0.06 0.20 2.07 -1.07 0.30 116.25 117.05 2bbn h VAL 91 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2bbn h VAL 91 Cb 0.67 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2bbn h VAL 91 CO -0.10 0.00 -0.38 -0.26 0.02 0.00 0.00 177.57 176.85 2bbn h PHE 92 N -0.07 -1.07 -2.48 1.57 -1.00 -1.18 -3.31 116.94 109.40 2bbn h PHE 92 Ca 0.30 0.04 -0.54 0.00 2.81 0.00 0.00 57.97 60.58 2bbn h PHE 92 Cb 0.58 0.48 -0.08 0.00 3.61 0.00 0.00 35.95 40.54 2bbn h PHE 92 CO -0.76 -0.46 1.05 0.34 -1.61 0.00 0.00 178.31 176.87 2bbn s ASP 93 N -4.85 6.20 -0.01 2.17 -1.08 0.10 -4.83 116.67 114.37 2bbn s ASP 93 Ca -0.16 -0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 51.48 2bbn s ASP 93 Cb 0.09 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 2bbn s ASP 93 CO 0.65 -1.79 0.46 0.50 0.52 0.00 0.00 175.17 175.51 2bbn h LYS 94 N 9.97 -0.09 0.00 4.34 3.64 -1.70 -3.11 116.57 129.63 2bbn h LYS 94 Ca -0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2bbn h LYS 94 Cb 1.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2bbn h LYS 94 CO 1.27 -0.06 0.19 -0.40 -2.27 0.00 0.00 179.45 178.18 2bbn n ASP 95 N -2.49 0.04 -2.75 4.20 5.75 -1.26 -4.77 116.55 115.28 2bbn n ASP 95 Ca -0.01 0.35 -0.11 0.00 -0.01 0.00 0.00 54.79 55.01 2bbn n ASP 95 Cb 0.04 -0.35 0.05 0.00 -1.03 0.00 0.00 41.12 39.83 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 96 N -1.32 -0.43 0.08 6.12 0.00 -1.18 -4.94 105.19 103.52 2bbn n GLY 96 Ca -0.00 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 2bbn n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2bbn h ASN 97 N -0.96 0.00 0.00 1.61 -0.00 -1.86 -3.48 115.58 110.89 2bbn h ASN 97 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.87 2bbn h ASN 97 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 2bbn h ASN 97 CO 0.33 0.91 0.00 0.61 -0.00 0.00 0.00 177.43 179.28 2bbn n GLY 98 N 1.48 2.23 2.97 1.57 0.00 -1.26 -5.06 105.19 107.12 2bbn n GLY 98 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2bbn n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bbn s PHE 99 N -2.19 0.42 0.50 1.61 0.08 -1.26 -4.66 117.98 112.48 2bbn s PHE 99 Ca 0.00 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 2bbn s PHE 99 Cb 0.00 -0.26 -0.07 0.00 -0.57 0.00 0.00 43.02 42.12 2bbn s PHE 99 CO 0.00 -0.05 1.13 0.42 -0.10 0.00 0.00 175.22 176.62 2bbn s ILE 100 N -0.57 3.24 0.14 0.64 1.01 -1.02 -4.90 121.20 119.74 2bbn s ILE 100 Ca -0.03 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.46 2bbn s ILE 100 Cb -0.05 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 2bbn s ILE 100 CO -0.00 -0.11 0.05 -0.24 0.00 0.00 0.00 174.94 174.64 2bbn n SER 101 N -0.94 0.98 0.11 3.58 2.88 -1.26 -3.28 113.62 115.69 2bbn n SER 101 Ca 0.10 -1.78 -0.05 0.00 -1.33 0.00 0.00 58.87 55.81 2bbn n SER 101 Cb 0.50 0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 64.32 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bbn h ALA 102 N 1.25 -0.50 -0.49 -1.46 0.00 -1.97 -3.13 119.26 112.97 2bbn h ALA 102 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bbn h ALA 102 Cb 0.43 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2bbn h ALA 102 CO 0.18 -0.47 0.32 0.00 0.00 0.00 0.00 179.25 179.28 2bbn h ALA 103 N -1.50 0.62 -1.48 0.00 0.00 -1.98 -2.19 119.26 112.73 2bbn h ALA 103 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bbn h ALA 103 Cb 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bbn h ALA 103 CO 0.05 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.76 2bbn n GLU 104 N -4.74 0.00 -0.14 0.00 1.02 -1.26 -1.54 120.64 113.99 2bbn n GLU 104 Ca 0.02 0.61 -0.06 0.00 -0.02 0.00 0.00 57.16 57.71 2bbn n GLU 104 Cb 0.02 -1.25 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 2bbn n GLU 104 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bbn h LEU 105 N 0.00 -0.88 -1.37 -4.62 5.85 -1.59 0.46 115.31 113.16 2bbn h LEU 105 Ca 0.00 0.18 0.31 0.00 0.84 0.00 0.00 57.88 59.21 2bbn h LEU 105 Cb 0.00 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2bbn h LEU 105 CO 0.00 -0.27 1.10 -0.09 -0.34 0.00 0.00 178.44 178.84 2bbn h ARG 106 N -0.17 0.00 0.00 1.25 2.43 -0.96 0.66 114.38 117.59 2bbn h ARG 106 Ca 0.21 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2bbn h ARG 106 Cb 0.50 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2bbn h ARG 106 CO -0.55 0.00 -0.37 1.25 -1.51 0.00 0.00 179.97 178.79 2bbn h HIS 107 N 0.00 0.00 0.00 2.20 2.76 1.00 -2.37 115.15 118.74 2bbn h HIS 107 Ca 0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 2bbn h HIS 107 Cb 2.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.66 2bbn h HIS 107 CO 0.00 1.10 0.00 0.28 -1.30 0.00 0.00 177.93 178.01 2bbn h VAL 108 N -1.00 0.00 0.10 5.26 2.07 -0.19 -2.66 116.25 119.83 2bbn h VAL 108 Ca -0.10 -0.58 -0.33 0.00 0.82 0.00 0.00 66.70 66.51 2bbn h VAL 108 Cb 1.05 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2bbn h VAL 108 CO -0.06 0.00 -1.76 0.24 0.02 0.00 0.00 177.57 176.01 2bbn h MET 109 N 0.00 0.21 -0.43 1.57 2.07 -0.01 -3.36 114.93 114.99 2bbn h MET 109 Ca 0.00 -0.36 -0.13 0.00 -2.07 0.00 0.00 59.70 57.14 2bbn h MET 109 Cb 0.62 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.47 2bbn h MET 109 CO 0.00 1.03 -0.25 1.15 1.07 0.00 0.00 176.91 179.91 2bbn h THR 110 N 0.06 1.27 -1.21 2.22 2.02 -1.35 -2.83 112.91 113.08 2bbn h THR 110 Ca -0.33 -1.40 0.35 0.00 0.77 0.00 0.00 66.41 65.80 2bbn h THR 110 Cb 2.03 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 69.56 2bbn h THR 110 CO 0.12 0.47 0.82 -0.55 0.37 0.00 0.00 175.52 176.75 2bbn h ASN 111 N 0.77 0.23 0.00 4.18 7.08 -1.62 -3.34 115.58 122.88 2bbn h ASN 111 Ca 0.10 0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.38 2bbn h ASN 111 Cb 0.80 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.08 2bbn h ASN 111 CO 0.07 -0.01 0.00 0.18 -2.08 0.00 0.00 177.43 175.59 2bbn n LEU 112 N -4.45 0.00 0.00 6.14 4.77 -1.07 -5.05 117.00 117.34 2bbn n LEU 112 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2bbn n LEU 112 Cb 1.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 2bbn n LEU 112 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2bbn n GLY 113 N 2.48 0.50 1.95 -0.72 0.00 -1.25 -5.08 105.19 103.06 2bbn n GLY 113 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2bbn n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bbn n GLU 114 N 0.00 0.31 -0.26 1.61 2.13 -1.26 -4.84 120.64 118.32 2bbn n GLU 114 Ca 0.00 -0.38 -0.05 0.00 0.66 0.00 0.00 57.16 57.39 2bbn n GLU 114 Cb 0.00 0.08 0.03 0.00 0.27 0.00 0.00 31.44 31.82 2bbn n GLU 114 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2bbn n LYS 115 N -0.39 1.24 -3.02 5.31 5.02 -1.26 -4.83 118.16 120.24 2bbn n LYS 115 Ca -0.08 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 2bbn n LYS 115 Cb 0.60 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 34.40 2bbn n LYS 115 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2bbn n LEU 116 N 0.24 0.00 -4.14 -0.35 -0.00 -1.26 -5.14 117.00 106.35 2bbn n LEU 116 Ca 0.11 -0.54 -0.13 0.00 -0.00 0.00 0.00 56.01 55.46 2bbn n LEU 116 Cb 0.71 1.37 -0.07 0.00 -0.00 0.00 0.00 43.42 45.43 2bbn n LEU 116 CO 0.12 -0.18 -0.05 0.42 -0.00 0.00 0.00 177.39 177.70 2bbn s THR 117 N -2.16 0.00 0.17 1.47 -4.23 -1.26 -5.01 115.64 104.62 2bbn s THR 117 Ca 0.16 -1.78 -0.14 0.00 -1.18 0.00 0.00 61.69 58.75 2bbn s THR 117 Cb -0.01 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.43 2bbn s THR 117 CO 0.01 0.00 1.78 -0.78 -0.54 0.00 0.00 174.62 175.10 2bbn h ASP 118 N 2.37 0.34 -0.03 3.99 1.82 -1.99 -2.15 116.42 120.77 2bbn h ASP 118 Ca -0.31 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.37 2bbn h ASP 118 Cb 1.25 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 2bbn h ASP 118 CO 0.44 0.24 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.95 2bbn h GLU 119 N 0.46 -0.03 -0.28 0.28 5.08 -2.00 -2.73 114.58 115.36 2bbn h GLU 119 Ca 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2bbn h GLU 119 Cb 0.09 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2bbn h GLU 119 CO -0.13 -0.02 -0.47 1.49 -1.00 0.00 0.00 179.01 178.89 2bbn h GLU 120 N -0.03 -0.42 -0.78 2.33 4.57 -1.84 -0.27 114.58 118.14 2bbn h GLU 120 Ca 0.02 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.38 2bbn h GLU 120 Cb 0.06 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 28.60 2bbn h GLU 120 CO -0.05 -0.28 -0.26 0.28 -1.18 0.00 0.00 179.01 177.52 2bbn h VAL 121 N -0.43 0.16 -0.89 0.32 2.07 -1.21 0.87 116.25 117.12 2bbn h VAL 121 Ca 0.09 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.86 2bbn h VAL 121 Cb 0.62 0.16 -0.14 0.00 -1.52 0.00 0.00 31.29 30.41 2bbn h VAL 121 CO -0.50 0.00 0.28 -0.78 0.02 0.00 0.00 177.57 176.58 2bbn h ASP 122 N -0.04 0.06 0.62 0.57 1.82 -0.76 1.49 116.42 120.19 2bbn h ASP 122 Ca 0.34 0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 57.12 2bbn h ASP 122 Cb 0.58 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 2bbn h ASP 122 CO -0.82 -0.15 -0.28 -0.33 -1.61 0.00 0.00 179.24 176.05 2bbn h GLU 123 N 0.22 0.00 0.01 0.28 3.07 0.11 -1.50 114.58 116.78 2bbn h GLU 123 Ca 0.57 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.43 2bbn h GLU 123 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2bbn h GLU 123 CO -0.65 0.28 -0.00 0.52 -1.40 0.00 0.00 179.01 177.76 2bbn h MET 124 N 0.00 -0.01 0.00 2.33 2.86 0.31 -2.31 114.93 118.11 2bbn h MET 124 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2bbn h MET 124 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 2bbn h MET 124 CO 0.04 0.80 -0.07 0.82 1.06 0.00 0.00 176.91 179.56 2bbn h ILE 125 N -0.94 0.50 0.03 -1.22 2.04 -0.54 -0.29 117.51 117.09 2bbn h ILE 125 Ca -0.00 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 2bbn h ILE 125 Cb 0.82 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2bbn h ILE 125 CO 0.00 0.07 -0.01 0.03 0.00 0.00 0.00 178.15 178.24 2bbn h ARG 126 N 0.00 -0.03 -1.04 2.37 2.47 -1.30 -2.51 114.38 114.34 2bbn h ARG 126 Ca -0.00 0.00 0.29 0.00 -1.26 0.00 0.00 59.98 59.01 2bbn h ARG 126 Cb 0.20 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.48 2bbn h ARG 126 CO 0.01 -0.02 0.73 1.49 0.56 0.00 0.00 179.97 182.74 2bbn h GLU 127 N -0.09 0.07 -0.18 0.04 4.22 -1.38 0.71 114.58 117.96 2bbn h GLU 127 Ca -0.00 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 2bbn h GLU 127 Cb 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2bbn h GLU 127 CO 0.01 0.05 -0.34 0.00 -2.18 0.00 0.00 179.01 176.54 2bbn h ALA 128 N 1.50 1.09 -1.83 2.92 0.00 -1.10 -3.41 119.26 118.43 2bbn h ALA 128 Ca 0.51 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 54.48 2bbn h ALA 128 Cb 1.89 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2bbn h ALA 128 CO -0.05 0.57 1.38 0.34 0.00 0.00 0.00 179.25 181.50 2bbn s ASP 129 N -6.85 5.54 0.20 0.00 -1.08 0.25 -4.83 116.67 109.89 2bbn s ASP 129 Ca -0.06 1.34 -0.11 0.00 -0.52 0.00 0.00 52.55 53.20 2bbn s ASP 129 Cb 0.13 -2.52 0.15 0.00 -1.46 0.00 0.00 42.92 39.23 2bbn s ASP 129 CO 0.78 -1.98 1.85 0.40 0.52 0.00 0.00 175.17 176.74 2bbn h ILE 130 N 7.01 1.11 0.00 4.11 1.08 -1.83 -3.43 117.51 125.56 2bbn h ILE 130 Ca -0.34 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2bbn h ILE 130 Cb 1.20 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2bbn h ILE 130 CO 1.05 0.15 0.00 -0.90 -0.69 0.00 0.00 178.15 177.76 2bbn n ASP 131 N -4.68 0.00 -3.48 1.72 5.75 -1.26 -5.10 116.55 109.49 2bbn n ASP 131 Ca 0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.66 2bbn n ASP 131 Cb 0.07 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.03 2bbn n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2bbn s GLY 132 N 0.00 -0.02 0.00 6.12 0.00 -1.26 -5.03 107.32 107.13 2bbn s GLY 132 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2bbn s GLY 132 CO 0.00 2.19 0.00 1.22 0.00 0.00 0.00 173.10 176.51 2bbn n ASP 133 N 5.32 0.00 0.00 1.64 8.00 -1.26 -5.07 116.55 125.18 2bbn n ASP 133 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2bbn n ASP 133 Cb 0.49 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 134 N 0.81 0.33 3.30 0.44 0.00 -1.26 -5.14 105.19 103.66 2bbn n GLY 134 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2bbn n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bbn s GLN 135 N 0.00 1.29 -0.26 1.61 -2.07 -1.26 -4.87 119.66 114.10 2bbn s GLN 135 Ca 0.00 -1.53 -0.10 0.00 -1.82 0.00 0.00 55.36 51.91 2bbn s GLN 135 Cb 0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 2bbn s GLN 135 CO 0.00 -0.46 0.15 0.08 -1.32 0.00 0.00 175.29 173.74 2bbn s VAL 136 N -4.12 5.04 0.00 3.63 1.01 -1.20 -4.94 120.40 119.82 2bbn s VAL 136 Ca 0.34 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2bbn s VAL 136 Cb 0.05 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2bbn s VAL 136 CO 0.11 0.30 0.00 0.59 0.00 0.00 0.00 175.10 176.10 2bbn n ASN 137 N 4.82 0.00 -0.08 3.32 4.13 -1.26 -2.45 115.26 123.74 2bbn n ASN 137 Ca -0.15 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.01 2bbn n ASN 137 Cb 0.52 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.72 2bbn n ASN 137 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bbn n TYR 138 N 0.00 0.79 -0.18 3.10 4.19 -1.26 -4.00 117.16 119.80 2bbn n TYR 138 Ca 0.00 0.34 -0.02 0.00 3.31 0.00 0.00 57.90 61.53 2bbn n TYR 138 Cb 0.00 -0.82 0.05 0.00 0.49 0.00 0.00 39.34 39.06 2bbn n TYR 138 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 2bbn h GLU 139 N -1.00 0.02 -1.00 2.98 4.81 -1.98 0.21 114.58 118.63 2bbn h GLU 139 Ca -0.11 -0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.35 2bbn h GLU 139 Cb 0.79 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.07 2bbn h GLU 139 CO -0.07 0.01 0.63 0.93 -0.73 0.00 0.00 179.01 179.79 2bbn h GLU 140 N 0.02 0.49 -0.16 1.92 5.08 -1.97 0.21 114.58 120.16 2bbn h GLU 140 Ca 0.27 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 2bbn h GLU 140 Cb 0.41 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2bbn h GLU 140 CO -0.55 0.33 -0.76 0.35 -1.00 0.00 0.00 179.01 177.38 2bbn h PHE 141 N 0.51 1.05 0.00 4.33 3.57 -0.76 0.58 116.94 126.21 2bbn h PHE 141 Ca 0.56 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2bbn h PHE 141 Cb 1.25 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2bbn h PHE 141 CO -0.00 1.28 0.00 0.28 -2.23 0.00 0.00 178.31 177.64 2bbn n VAL 142 N -3.93 0.47 -0.03 1.41 0.31 0.17 -2.66 118.33 114.06 2bbn n VAL 142 Ca -0.07 0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2bbn n VAL 142 Cb 0.74 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.85 2bbn n VAL 142 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2bbn n THR 143 N -1.61 0.41 -0.02 2.52 -1.04 0.48 -4.46 114.28 110.56 2bbn n THR 143 Ca 0.05 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 61.57 2bbn n THR 143 Cb 0.28 -0.29 -0.10 0.00 -1.82 0.00 0.00 70.33 68.40 2bbn n THR 143 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bbn h MET 144 N 0.00 -0.05 -3.01 -2.82 1.85 0.22 -3.38 114.93 107.74 2bbn h MET 144 Ca -0.16 0.00 -0.71 0.00 -0.61 0.00 0.00 59.70 58.23 2bbn h MET 144 Cb 1.16 0.01 -0.35 0.00 0.43 0.00 0.00 31.60 32.85 2bbn h MET 144 CO 0.01 0.61 -0.00 -1.33 -0.40 0.00 0.00 176.91 175.80 2bbn n MET 145 N -4.77 3.01 -3.04 0.39 2.81 -1.09 -4.89 117.12 109.55 2bbn n MET 145 Ca -0.08 -4.54 0.00 0.00 -1.81 0.00 0.00 57.70 51.27 2bbn n MET 145 Cb 0.34 -2.40 -0.00 0.00 -0.71 0.00 0.00 33.22 30.44 2bbn n MET 145 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2bbn s THR 146 N -1.89 -0.84 -2.04 2.03 2.01 -1.26 -4.87 115.64 108.78 2bbn s THR 146 Ca 0.31 -0.19 0.26 0.00 0.31 0.00 0.00 61.69 62.38 2bbn s THR 146 Cb -0.00 0.00 0.31 0.00 0.01 0.00 0.00 72.50 72.82 2bbn s THR 146 CO -0.06 0.00 1.55 -0.24 -0.69 0.00 0.00 174.62 175.18 2bbn n SER 147 N 3.96 1.35 -0.60 3.53 2.88 -1.26 -4.95 113.62 118.53 2bbn n SER 147 Ca 0.11 -1.17 0.08 0.00 -1.33 0.00 0.00 58.87 56.56 2bbn n SER 147 Cb 0.58 0.13 0.06 0.00 -0.75 0.00 0.00 64.21 64.23 2bbn n SER 147 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10