#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 0.00 0.00 2.03 -1.26 -3.35 116.55 113.97 2bbn n ASP 2 Ca 0.00 -1.09 0.05 0.00 0.52 0.00 0.00 54.79 54.26 2bbn n ASP 2 Cb 0.00 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.62 2bbn n ASP 2 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2bbn n GLN 3 N -0.88 0.06 -2.80 -0.67 7.27 -1.26 -2.86 117.38 116.24 2bbn n GLN 3 Ca 0.16 0.27 -0.24 0.00 0.07 0.00 0.00 57.00 57.26 2bbn n GLN 3 Cb 0.07 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.20 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2bbn n LEU 4 N -1.40 3.73 0.02 1.69 4.77 -1.21 -4.77 117.00 119.83 2bbn n LEU 4 Ca 0.03 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.77 2bbn n LEU 4 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2bbn n LEU 4 CO 0.08 2.23 0.00 0.35 -1.33 0.00 0.00 177.39 178.72 2bbn n THR 5 N -0.23 0.00 -3.94 -5.08 -2.24 -1.14 -5.04 114.28 96.61 2bbn n THR 5 Ca 0.30 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.83 2bbn n THR 5 Cb 0.56 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.61 -3.49 0.00 -0.78 1.02 -1.26 -4.91 120.64 108.61 2bbn n GLU 6 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2bbn n GLU 6 Cb 0.00 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 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 -4.40 0.00 -0.11 3.49 2.13 -1.26 -3.69 120.64 116.81 2bbn n GLU 7 Ca -0.28 0.28 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2bbn n GLU 7 Cb 0.67 -0.76 -0.03 0.00 0.27 0.00 0.00 31.44 31.59 2bbn n GLU 7 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2bbn h GLN 8 N 0.00 0.65 -0.13 5.31 3.07 -2.00 -2.52 115.11 119.50 2bbn h GLN 8 Ca 0.00 -0.28 0.03 0.00 0.09 0.00 0.00 58.65 58.49 2bbn h GLN 8 Cb 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.48 2bbn h GLN 8 CO 0.00 0.86 -0.54 0.82 0.09 0.00 0.00 178.83 180.06 2bbn h ILE 9 N 0.41 0.01 -0.72 1.86 2.04 -1.97 0.14 117.51 119.27 2bbn h ILE 9 Ca 0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.05 2bbn h ILE 9 Cb 0.66 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2bbn h ILE 9 CO 0.04 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.67 2bbn h ALA 10 N -0.28 1.97 0.00 1.87 0.00 -1.63 -2.07 119.26 119.12 2bbn h ALA 10 Ca 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2bbn h ALA 10 Cb 0.68 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2bbn h ALA 10 CO -0.43 -0.15 -0.27 1.49 0.00 0.00 0.00 179.25 179.89 2bbn h GLU 11 N 0.51 -0.40 -0.18 0.00 4.81 -0.29 -0.63 114.58 118.39 2bbn h GLU 11 Ca 0.34 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2bbn h GLU 11 Cb 0.64 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2bbn h GLU 11 CO -0.12 -0.27 0.07 0.74 -0.73 0.00 0.00 179.01 178.70 2bbn h PHE 12 N -0.42 0.29 -1.01 0.92 0.04 -0.75 -1.86 116.94 114.15 2bbn h PHE 12 Ca 0.06 -0.02 0.29 0.00 2.80 0.00 0.00 57.97 61.09 2bbn h PHE 12 Cb 0.50 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 2bbn h PHE 12 CO -0.31 0.35 0.72 0.87 -0.60 0.00 0.00 178.31 179.34 2bbn h LYS 13 N 0.14 0.07 0.08 1.51 1.57 -1.01 0.15 116.57 119.09 2bbn h LYS 13 Ca 0.06 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2bbn h LYS 13 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2bbn h LYS 13 CO -0.00 0.05 -0.04 1.49 -0.57 0.00 0.00 179.45 180.37 2bbn h GLU 14 N 0.08 -0.11 -0.33 3.15 4.57 -0.29 -2.19 114.58 119.47 2bbn h GLU 14 Ca 0.50 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.78 2bbn h GLU 14 Cb 1.84 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.44 2bbn h GLU 14 CO -0.05 0.32 0.42 0.00 -1.18 0.00 0.00 179.01 178.51 2bbn h ALA 15 N 0.29 1.97 0.05 2.92 0.00 -0.40 -1.35 119.26 122.73 2bbn h ALA 15 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bbn h ALA 15 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2bbn h ALA 15 CO 0.02 -0.58 -0.03 0.74 0.00 0.00 0.00 179.25 179.40 2bbn h PHE 16 N 0.00 -0.07 0.00 0.00 -1.00 -0.99 0.19 116.94 115.07 2bbn h PHE 16 Ca 0.16 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2bbn h PHE 16 Cb 0.98 0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.57 2bbn h PHE 16 CO 0.00 0.51 0.19 0.77 -1.61 0.00 0.00 178.31 178.16 2bbn h SER 17 N -0.93 0.00 0.00 2.17 0.02 -0.65 0.10 113.55 114.27 2bbn h SER 17 Ca -0.01 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 2bbn h SER 17 Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2bbn h SER 17 CO 0.01 0.00 -1.58 -0.11 -1.14 0.00 0.00 176.83 174.01 2bbn n LEU 18 N -2.70 1.91 0.37 5.07 7.94 -0.77 -4.49 117.00 124.33 2bbn n LEU 18 Ca -0.02 0.40 -0.15 0.00 -1.11 0.00 0.00 56.01 55.14 2bbn n LEU 18 Cb 0.23 -0.85 -0.07 0.00 0.53 0.00 0.00 43.42 43.26 2bbn n LEU 18 CO 0.13 0.15 0.45 0.15 -1.11 0.00 0.00 177.39 177.17 2bbn h PHE 19 N -1.00 -0.89 -1.79 1.96 3.04 -0.15 -3.34 116.94 114.77 2bbn h PHE 19 Ca -0.35 -0.02 -0.70 0.00 3.98 0.00 0.00 57.97 60.88 2bbn h PHE 19 Cb 1.23 0.30 -0.14 0.00 2.56 0.00 0.00 35.95 39.89 2bbn h PHE 19 CO -0.14 -0.56 1.46 0.34 -2.02 0.00 0.00 178.31 177.40 2bbn s ASP 20 N -3.86 6.86 0.00 0.41 2.15 0.31 -4.77 116.67 117.77 2bbn s ASP 20 Ca -0.14 -2.48 0.09 0.00 0.43 0.00 0.00 52.55 50.45 2bbn s ASP 20 Cb 0.01 -2.46 0.56 0.00 -0.30 0.00 0.00 42.92 40.73 2bbn s ASP 20 CO 0.42 -1.00 1.22 0.29 -0.17 0.00 0.00 175.17 175.93 2bbn n LYS 21 N 6.87 0.82 0.07 4.34 5.02 -1.25 -3.67 118.16 130.35 2bbn n LYS 21 Ca 0.36 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2bbn n LYS 21 Cb 0.46 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 2bbn n LYS 21 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2bbn h ASP 22 N 0.00 -0.17 0.00 4.39 1.82 -1.93 -3.49 116.42 117.05 2bbn h ASP 22 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2bbn h ASP 22 Cb 0.00 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2bbn h ASP 22 CO 0.00 0.28 0.00 0.61 -1.61 0.00 0.00 179.24 178.52 2bbn n GLY 23 N 0.13 2.49 0.00 -0.78 0.00 -1.24 -5.02 105.19 100.77 2bbn n GLY 23 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.95 116.55 117.70 2bbn n ASP 24 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 2bbn n ASP 24 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 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 -0.83 0.83 3.79 6.12 0.00 -1.26 -5.06 105.19 108.77 2bbn n GLY 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.28 -0.25 2.61 -4.23 -1.26 -4.76 115.64 112.02 2bbn s THR 26 Ca 0.00 1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 62.04 2bbn s THR 26 Cb 0.00 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.81 2bbn s THR 26 CO 0.00 0.20 0.63 -0.63 -0.54 0.00 0.00 174.62 174.27 2bbn s ILE 27 N -1.55 4.99 0.36 2.99 1.01 -1.17 -4.87 121.20 122.96 2bbn s ILE 27 Ca 0.47 1.13 0.05 0.00 0.00 0.00 0.00 60.65 62.30 2bbn s ILE 27 Cb -0.19 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2bbn s ILE 27 CO 0.24 0.03 0.04 -0.89 0.00 0.00 0.00 174.94 174.37 2bbn s THR 28 N 2.48 1.41 0.39 2.92 2.01 -1.26 -3.35 115.64 120.24 2bbn s THR 28 Ca 0.26 -2.00 0.28 0.00 0.31 0.00 0.00 61.69 60.54 2bbn s THR 28 Cb -0.15 -2.82 0.28 0.00 0.01 0.00 0.00 72.50 69.81 2bbn s THR 28 CO 0.08 0.00 1.84 0.71 -0.69 0.00 0.00 174.62 176.57 2bbn h THR 29 N 1.98 0.00 0.02 -0.82 1.35 -1.88 0.12 112.91 113.68 2bbn h THR 29 Ca -0.42 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2bbn h THR 29 Cb 1.25 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2bbn h THR 29 CO 0.73 0.00 -0.01 0.50 -0.25 0.00 0.00 175.52 176.49 2bbn h LYS 30 N 0.00 -0.03 0.00 4.72 3.64 -1.98 -1.09 116.57 121.84 2bbn h LYS 30 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2bbn h LYS 30 Cb 0.41 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2bbn h LYS 30 CO 0.00 -0.02 -0.08 0.93 -2.27 0.00 0.00 179.45 178.01 2bbn h GLU 31 N -0.30 0.00 -0.05 1.90 3.07 -1.88 -0.42 114.58 116.90 2bbn h GLU 31 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 2bbn h GLU 31 Cb 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2bbn h GLU 31 CO 0.00 0.08 -0.76 1.25 -1.40 0.00 0.00 179.01 178.19 2bbn h LEU 32 N 0.00 0.37 -0.39 1.33 6.46 -0.88 -2.91 115.31 119.29 2bbn h LEU 32 Ca -0.00 -0.26 -0.14 0.00 -0.12 0.00 0.00 57.88 57.36 2bbn h LEU 32 Cb 0.18 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2bbn h LEU 32 CO 0.01 1.00 -0.32 1.23 -0.62 0.00 0.00 178.44 179.75 2bbn h GLY 33 N 1.48 0.99 0.69 3.75 0.00 0.26 0.11 103.07 110.35 2bbn h GLY 33 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.33 2bbn h GLY 33 CO 0.12 0.88 -0.27 -0.91 0.00 0.00 0.00 176.54 176.36 2bbn h THR 34 N 0.72 0.42 0.52 4.70 1.35 -1.30 0.32 112.91 119.65 2bbn h THR 34 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.91 2bbn h THR 34 Cb 0.90 0.42 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2bbn h THR 34 CO 0.08 0.00 -0.25 0.58 -0.25 0.00 0.00 175.52 175.68 2bbn h VAL 35 N -0.57 0.38 -0.79 6.82 2.07 -1.50 -2.69 116.25 119.97 2bbn h VAL 35 Ca -0.01 -0.36 0.18 0.00 0.82 0.00 0.00 66.70 67.34 2bbn h VAL 35 Cb 0.53 0.51 -0.14 0.00 -1.52 0.00 0.00 31.29 30.67 2bbn h VAL 35 CO -0.06 0.05 -0.02 0.24 0.02 0.00 0.00 177.57 177.79 2bbn h MET 36 N -0.95 0.08 -0.47 1.57 2.86 -0.72 0.43 114.93 117.71 2bbn h MET 36 Ca -0.07 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2bbn h MET 36 Cb 0.62 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.17 2bbn h MET 36 CO 0.12 0.05 -0.12 -0.09 1.06 0.00 0.00 176.91 177.93 2bbn h ARG 37 N 0.08 0.00 0.00 1.72 1.12 -0.23 2.40 114.38 119.47 2bbn h ARG 37 Ca 0.43 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.30 2bbn h ARG 37 Cb 0.77 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 2bbn h ARG 37 CO -0.72 0.00 0.00 0.66 -3.11 0.00 0.00 179.97 176.80 2bbn h SER 38 N 0.00 0.00 -0.00 -3.80 4.64 0.09 -0.59 113.55 113.88 2bbn h SER 38 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2bbn h SER 38 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2bbn h SER 38 CO -0.49 0.00 -0.78 -0.11 -0.87 0.00 0.00 176.83 174.59 2bbn n LEU 39 N -2.51 1.12 0.00 5.97 7.94 0.42 -4.97 117.00 124.97 2bbn n LEU 39 Ca -0.00 -0.56 0.00 0.00 -1.11 0.00 0.00 56.01 54.34 2bbn n LEU 39 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 2bbn n LEU 39 CO 0.18 0.25 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 2bbn n GLY 40 N 1.41 -2.30 1.38 -3.96 0.00 0.71 -5.03 105.19 97.40 2bbn n GLY 40 Ca 0.05 0.74 0.01 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.67 0.07 -3.16 1.61 6.02 -1.17 -4.82 117.38 115.25 2bbn n GLN 41 Ca 0.00 -0.27 -0.21 0.00 -0.01 0.00 0.00 57.00 56.51 2bbn n GLN 41 Cb 0.00 0.45 -0.06 0.00 1.02 0.00 0.00 30.24 31.65 2bbn n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2bbn n ASN 42 N -0.49 -0.83 0.00 1.08 5.15 -1.26 -3.52 115.26 115.40 2bbn n ASN 42 Ca 0.01 -2.68 0.00 0.00 -0.60 0.00 0.00 54.58 51.32 2bbn n ASN 42 Cb 0.20 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 2bbn n ASN 42 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2bbn n PRO 43 N 2.10 0.00 -4.69 1.20 -0.02 -1.26 -4.82 135.00 127.51 2bbn n PRO 43 Ca 0.22 0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 2bbn n PRO 43 Cb 0.53 -1.38 -0.16 0.00 -0.02 0.00 0.00 33.50 32.47 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bbn s THR 44 N -2.55 1.20 -0.01 3.45 -4.23 -1.26 -5.04 115.64 107.20 2bbn s THR 44 Ca 0.00 -0.61 -0.21 0.00 -1.18 0.00 0.00 61.69 59.68 2bbn s THR 44 Cb 0.00 -1.02 -0.23 0.00 1.34 0.00 0.00 72.50 72.59 2bbn s THR 44 CO 0.00 0.35 1.09 -0.08 -0.54 0.00 0.00 174.62 175.43 2bbn h GLU 45 N 6.08 0.33 -0.89 3.99 4.22 -1.98 -3.23 114.58 123.10 2bbn h GLU 45 Ca -0.34 -0.34 0.24 0.00 0.08 0.00 0.00 59.36 59.01 2bbn h GLU 45 Cb 1.17 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 2bbn h GLU 45 CO 0.48 1.03 0.24 0.00 -2.18 0.00 0.00 179.01 178.58 2bbn h ALA 46 N 0.31 1.31 -0.45 2.92 0.00 -1.98 0.50 119.26 121.86 2bbn h ALA 46 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bbn h ALA 46 Cb 1.18 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2bbn h ALA 46 CO 0.09 -0.49 0.29 0.93 0.00 0.00 0.00 179.25 180.07 2bbn h GLU 47 N 0.19 0.60 0.00 0.00 4.39 -2.00 -0.84 114.58 116.93 2bbn h GLU 47 Ca 0.57 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.18 2bbn h GLU 47 Cb 1.17 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2bbn h GLU 47 CO -0.67 0.41 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.31 2bbn h LEU 48 N 0.61 0.00 -0.53 1.33 3.38 -0.19 -2.09 115.31 117.82 2bbn h LEU 48 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2bbn h LEU 48 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bbn h LEU 48 CO -0.03 0.21 -0.64 -0.61 0.09 0.00 0.00 178.44 177.46 2bbn h GLN 49 N 0.00 0.36 0.05 1.13 -0.00 0.50 -2.57 115.11 114.58 2bbn h GLN 49 Ca -0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 58.38 2bbn h GLN 49 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.93 2bbn h GLN 49 CO 0.03 0.88 -0.02 0.22 0.00 0.00 0.00 178.83 179.93 2bbn h ASP 50 N 0.26 -0.06 -0.64 -0.69 3.58 -0.51 0.29 116.42 118.66 2bbn h ASP 50 Ca -0.01 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.32 2bbn h ASP 50 Cb 1.18 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.20 2bbn h ASP 50 CO 0.11 0.13 0.42 0.24 -2.88 0.00 0.00 179.24 177.26 2bbn h MET 51 N -0.25 0.68 0.00 0.28 0.00 -1.50 -0.07 114.93 114.07 2bbn h MET 51 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 59.70 59.62 2bbn h MET 51 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 31.60 31.67 2bbn h MET 51 CO 0.01 0.45 -0.15 0.82 0.00 0.00 0.00 176.91 178.05 2bbn h ILE 52 N 0.70 0.26 0.00 -1.22 2.04 -1.08 -3.14 117.51 115.06 2bbn h ILE 52 Ca 0.26 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2bbn h ILE 52 Cb 0.16 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2bbn h ILE 52 CO -0.08 0.14 -0.33 -1.13 0.00 0.00 0.00 178.15 176.76 2bbn h ASN 53 N 0.00 0.00 0.40 1.72 -0.73 0.14 -2.62 115.58 114.49 2bbn h ASN 53 Ca -0.00 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 2bbn h ASN 53 Cb 1.09 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 2bbn h ASN 53 CO 0.02 0.11 -0.22 -0.08 -0.37 0.00 0.00 177.43 176.89 2bbn h GLU 54 N 0.00 0.00 0.00 6.67 4.81 -1.18 -3.08 114.58 121.80 2bbn h GLU 54 Ca -0.01 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 2bbn h GLU 54 Cb 1.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2bbn h GLU 54 CO 0.01 0.22 -2.00 1.33 -0.73 0.00 0.00 179.01 177.84 2bbn n VAL 55 N -3.85 0.59 -1.65 0.32 0.24 -1.22 -4.97 118.33 107.80 2bbn n VAL 55 Ca -0.02 -0.57 -0.58 0.00 -2.04 0.00 0.00 64.34 61.14 2bbn n VAL 55 Cb 0.31 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.36 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2bbn n ASP 56 N -2.38 1.61 -0.01 -1.34 -0.08 -0.99 -4.89 116.55 108.47 2bbn n ASP 56 Ca -0.16 1.12 -0.00 0.00 -1.51 0.00 0.00 54.79 54.24 2bbn n ASP 56 Cb 0.77 -1.08 -0.00 0.00 2.34 0.00 0.00 41.12 43.15 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bbn n ALA 57 N 3.69 0.04 0.31 -1.67 0.00 -1.26 -4.72 120.51 116.90 2bbn n ALA 57 Ca 0.24 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2bbn n ALA 57 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 2bbn n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2bbn h ASP 58 N -0.07 -0.75 0.00 0.00 3.04 -1.96 -3.47 116.42 113.21 2bbn h ASP 58 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2bbn h ASP 58 Cb 0.05 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 2bbn h ASP 58 CO 0.00 -0.50 0.00 0.61 -2.04 0.00 0.00 179.24 177.31 2bbn n GLY 59 N -1.41 0.25 0.01 7.15 0.00 -1.26 -5.02 105.19 104.90 2bbn n GLY 59 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.28 0.00 1.61 4.13 -1.26 -4.90 115.26 115.12 2bbn n ASN 60 Ca 0.00 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2bbn n ASN 60 Cb 0.00 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bbn n GLY 61 N 1.49 0.60 3.40 7.41 0.00 -1.26 -4.99 105.19 111.85 2bbn n GLY 61 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.50 0.00 -0.17 2.61 -4.23 -1.26 -4.72 115.64 105.37 2bbn s THR 62 Ca 0.00 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 2bbn s THR 62 Cb 0.00 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 2bbn s THR 62 CO 0.00 0.00 -0.05 0.27 -0.54 0.00 0.00 174.62 174.30 2bbn s ILE 63 N -4.07 3.62 0.00 2.99 -0.00 -1.21 -4.92 121.20 117.61 2bbn s ILE 63 Ca 0.31 -0.44 0.00 0.00 -0.00 0.00 0.00 60.65 60.52 2bbn s ILE 63 Cb 0.03 -2.60 0.00 0.00 -0.00 0.00 0.00 42.46 39.89 2bbn s ILE 63 CO 0.11 0.47 0.00 0.47 -0.00 0.00 0.00 174.94 175.99 2bbn n ASP 64 N 3.96 0.00 -0.03 4.36 9.92 -1.26 -3.05 116.55 130.46 2bbn n ASP 64 Ca -0.18 -0.03 -0.15 0.00 -0.53 0.00 0.00 54.79 53.90 2bbn n ASP 64 Cb 0.52 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.89 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 -0.02 0.35 -0.52 1.24 0.04 -2.00 -2.88 116.94 113.15 2bbn h PHE 65 Ca 0.00 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 2bbn h PHE 65 Cb 0.00 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2bbn h PHE 65 CO 0.00 0.93 -0.04 -1.00 -0.60 0.00 0.00 178.31 177.60 2bbn h PRO 66 N -0.34 0.91 -0.43 1.51 0.14 -2.00 -2.52 132.00 129.27 2bbn h PRO 66 Ca -0.03 -0.28 -0.05 0.00 0.14 0.00 0.00 66.00 65.78 2bbn h PRO 66 Cb 0.99 -0.08 -0.02 0.00 0.14 0.00 0.00 31.00 32.03 2bbn h PRO 66 CO 0.06 0.93 0.06 0.93 0.14 0.00 0.00 178.00 180.12 2bbn h GLU 67 N 0.83 0.66 0.39 0.86 5.08 -1.94 -2.49 114.58 117.96 2bbn h GLU 67 Ca 0.15 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2bbn h GLU 67 Cb 0.55 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2bbn h GLU 67 CO 0.03 0.64 -0.19 0.35 -1.00 0.00 0.00 179.01 178.84 2bbn h PHE 68 N 0.63 -0.48 -0.94 4.33 3.57 -1.23 0.55 116.94 123.38 2bbn h PHE 68 Ca 0.14 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.85 2bbn h PHE 68 Cb 0.31 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 2bbn h PHE 68 CO 0.01 -0.24 0.63 -0.07 -2.23 0.00 0.00 178.31 176.41 2bbn h LEU 69 N -0.61 0.36 -0.07 0.59 3.38 -1.32 0.31 115.31 117.95 2bbn h LEU 69 Ca -0.05 0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2bbn h LEU 69 Cb 0.45 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2bbn h LEU 69 CO 0.09 0.13 -1.04 0.74 0.09 0.00 0.00 178.44 178.45 2bbn h THR 70 N 0.35 1.39 -0.75 0.22 2.02 -0.90 0.71 112.91 115.94 2bbn h THR 70 Ca 0.49 -2.52 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 2bbn h THR 70 Cb 1.33 2.53 -0.04 0.00 -1.74 0.00 0.00 68.15 70.23 2bbn h THR 70 CO -0.18 0.75 0.40 -0.03 0.37 0.00 0.00 175.52 176.84 2bbn h MET 71 N 0.23 1.06 0.05 6.66 4.05 0.38 1.03 114.93 128.39 2bbn h MET 71 Ca -0.11 -0.13 -0.35 0.00 -0.28 0.00 0.00 59.70 58.84 2bbn h MET 71 Cb 1.69 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 32.24 2bbn h MET 71 CO 0.18 0.80 -2.03 -0.12 0.23 0.00 0.00 176.91 175.97 2bbn n MET 72 N -4.44 0.69 -1.03 0.39 0.00 -0.34 -4.16 117.12 108.23 2bbn n MET 72 Ca 0.07 0.22 -0.07 0.00 0.00 0.00 0.00 57.70 57.92 2bbn n MET 72 Cb 0.10 -1.68 0.29 0.00 0.00 0.00 0.00 33.22 31.93 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 -2.85 4.65 -1.53 -5.12 0.00 0.25 -4.84 120.51 111.07 2bbn n ALA 73 Ca -0.29 -2.42 -0.53 0.00 0.00 0.00 0.00 53.44 50.20 2bbn n ALA 73 Cb 1.06 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 2bbn n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2bbn n ARG 74 N -0.27 0.62 -1.05 0.00 0.63 0.36 -4.47 116.66 112.48 2bbn n ARG 74 Ca 0.42 0.22 0.13 0.00 -0.92 0.00 0.00 57.85 57.70 2bbn n ARG 74 Cb 1.40 -1.70 -0.04 0.00 0.45 0.00 0.00 32.46 32.58 2bbn n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2bbn n LYS 75 N 1.77 -2.00 -0.70 -0.14 4.81 -1.26 -4.28 118.16 116.34 2bbn n LYS 75 Ca 0.18 1.42 -0.26 0.00 -0.87 0.00 0.00 58.31 58.77 2bbn n LYS 75 Cb 0.17 -2.51 0.12 0.00 0.02 0.00 0.00 35.03 32.83 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2bbn n MET 76 N -3.26 -1.32 -1.51 1.64 2.81 -1.26 -4.33 117.12 109.89 2bbn n MET 76 Ca -0.01 -0.38 -0.28 0.00 -1.81 0.00 0.00 57.70 55.22 2bbn n MET 76 Cb 0.62 -1.39 -0.17 0.00 -0.71 0.00 0.00 33.22 31.56 2bbn n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2bbn n LYS 77 N -0.53 0.15 -1.51 0.03 4.76 -1.26 -4.85 118.16 114.95 2bbn n LYS 77 Ca 0.02 -0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.05 2bbn n LYS 77 Cb 0.51 -1.68 0.08 0.00 -1.84 0.00 0.00 35.03 32.09 2bbn n LYS 77 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bbn s ASP 78 N 5.16 4.77 -0.48 4.39 -1.08 -1.26 -5.03 116.67 123.13 2bbn s ASP 78 Ca 1.26 1.49 0.04 0.00 -0.52 0.00 0.00 52.55 54.81 2bbn s ASP 78 Cb -0.84 -2.27 0.16 0.00 -1.46 0.00 0.00 42.92 38.51 2bbn s ASP 78 CO 0.46 -1.82 0.35 0.42 0.52 0.00 0.00 175.17 175.10 2bbn s THR 79 N -3.07 1.10 0.57 1.71 -4.23 -1.26 -5.11 115.64 105.34 2bbn s THR 79 Ca 0.60 -2.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.02 2bbn s THR 79 Cb -0.15 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 2bbn s THR 79 CO 0.55 -1.11 1.02 -0.62 -0.54 0.00 0.00 174.62 173.92 2bbn s ASP 80 N -0.17 6.26 0.64 3.99 2.15 -1.26 -4.99 116.67 123.30 2bbn s ASP 80 Ca 0.27 1.60 -0.17 0.00 0.43 0.00 0.00 52.55 54.68 2bbn s ASP 80 Cb -0.05 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 2bbn s ASP 80 CO -0.14 -0.84 0.71 -1.20 -0.17 0.00 0.00 175.17 173.52 2bbn n SER 81 N -2.04 -0.38 -0.53 -0.34 7.64 -1.26 -4.78 113.62 111.93 2bbn n SER 81 Ca 0.07 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2bbn n SER 81 Cb 0.54 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2bbn n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bbn n GLU 82 N -0.75 0.78 -0.02 1.43 1.02 -1.26 -3.66 120.64 118.18 2bbn n GLU 82 Ca 0.12 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.10 2bbn n GLU 82 Cb 0.48 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.23 0.23 -0.30 3.49 5.08 -2.00 -2.42 114.58 118.89 2bbn h GLU 83 Ca 0.00 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2bbn h GLU 83 Cb 0.42 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2bbn h GLU 83 CO 0.00 0.95 0.05 1.05 -1.00 0.00 0.00 179.01 180.06 2bbn h GLU 84 N -0.40 0.15 -0.69 2.33 4.11 -1.94 -1.19 114.58 116.95 2bbn h GLU 84 Ca -0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2bbn h GLU 84 Cb 1.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2bbn h GLU 84 CO 0.06 0.10 0.43 0.82 0.07 0.00 0.00 179.01 180.49 2bbn h ILE 85 N 0.16 1.19 -0.28 -1.06 2.04 -1.81 -2.46 117.51 115.28 2bbn h ILE 85 Ca 0.14 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2bbn h ILE 85 Cb 0.16 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2bbn h ILE 85 CO -0.19 0.20 -0.03 -0.09 0.00 0.00 0.00 178.15 178.04 2bbn h ARG 86 N 0.94 0.05 -0.82 2.37 2.43 -0.84 -1.11 114.38 117.41 2bbn h ARG 86 Ca 0.25 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.57 2bbn h ARG 86 Cb -0.05 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.39 2bbn h ARG 86 CO -0.05 0.03 0.37 0.93 -1.51 0.00 0.00 179.97 179.74 2bbn h GLU 87 N 0.05 0.49 -0.88 0.20 3.07 -0.79 0.20 114.58 116.91 2bbn h GLU 87 Ca 0.14 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2bbn h GLU 87 Cb 0.19 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 2bbn h GLU 87 CO -0.25 0.32 0.57 0.00 -1.40 0.00 0.00 179.01 178.25 2bbn h ALA 88 N 1.58 1.17 -0.64 3.43 0.00 -0.90 -1.52 119.26 122.38 2bbn h ALA 88 Ca 0.46 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.35 2bbn h ALA 88 Cb 0.72 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2bbn h ALA 88 CO -0.41 0.41 0.42 0.35 0.00 0.00 0.00 179.25 180.01 2bbn h PHE 89 N 1.10 0.78 -0.59 0.00 3.57 -0.06 -0.96 116.94 120.79 2bbn h PHE 89 Ca 0.36 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.96 2bbn h PHE 89 Cb 0.02 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 2bbn h PHE 89 CO -0.02 0.48 0.40 -0.09 -2.23 0.00 0.00 178.31 176.85 2bbn h ARG 90 N 0.84 0.46 -0.07 1.11 2.43 -0.33 -0.68 114.38 118.13 2bbn h ARG 90 Ca 0.24 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2bbn h ARG 90 Cb -0.07 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2bbn h ARG 90 CO -0.06 0.30 -0.28 0.28 -1.51 0.00 0.00 179.97 178.69 2bbn h VAL 91 N 0.47 1.42 -0.99 0.20 2.07 -0.66 -3.20 116.25 115.56 2bbn h VAL 91 Ca 0.27 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 66.18 2bbn h VAL 91 Cb 0.44 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 2bbn h VAL 91 CO -0.08 0.48 0.64 -0.26 0.02 0.00 0.00 177.57 178.37 2bbn h PHE 92 N -0.16 1.19 -4.07 1.57 -1.00 -0.42 -3.41 116.94 110.64 2bbn h PHE 92 Ca -0.01 0.03 -0.47 0.00 2.81 0.00 0.00 57.97 60.33 2bbn h PHE 92 Cb 0.92 -0.39 0.02 0.00 3.61 0.00 0.00 35.95 40.11 2bbn h PHE 92 CO 0.13 0.62 0.38 0.34 -1.61 0.00 0.00 178.31 178.17 2bbn s ASP 93 N -5.90 6.43 0.00 2.17 -1.08 -0.34 -4.76 116.67 113.20 2bbn s ASP 93 Ca -0.12 1.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.81 2bbn s ASP 93 Cb 0.20 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 2bbn s ASP 93 CO 0.81 -0.72 0.00 1.17 0.52 0.00 0.00 175.17 176.96 2bbn n LYS 94 N -0.89 0.00 0.17 4.34 4.81 -1.26 -4.42 118.16 120.91 2bbn n LYS 94 Ca 0.09 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.63 2bbn n LYS 94 Cb 0.53 0.00 0.57 0.00 0.02 0.00 0.00 35.03 36.14 2bbn n LYS 94 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bbn n ASP 95 N 0.00 0.54 -0.03 3.14 9.92 -1.26 -4.76 116.55 124.09 2bbn n ASP 95 Ca 0.00 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 2bbn n ASP 95 Cb 0.00 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 96 N -1.29 1.44 0.03 0.44 0.00 -1.26 -4.98 105.19 99.57 2bbn n GLY 96 Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2bbn n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbn n ASN 97 N 0.34 0.41 0.00 1.61 4.13 -1.26 -4.89 115.26 115.59 2bbn n ASN 97 Ca 0.00 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.53 2bbn n ASN 97 Cb 0.09 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bbn n GLY 98 N 1.43 1.45 3.30 7.41 0.00 -1.26 -4.97 105.19 112.55 2bbn n GLY 98 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.35 3.19 0.29 1.61 0.08 -1.26 -4.02 117.98 114.52 2bbn s PHE 99 Ca 0.00 -1.25 -0.28 0.00 0.12 0.00 0.00 56.93 55.52 2bbn s PHE 99 Cb 0.00 -2.24 -0.09 0.00 -0.57 0.00 0.00 43.02 40.11 2bbn s PHE 99 CO 0.00 -0.66 0.97 0.42 -0.10 0.00 0.00 175.22 175.84 2bbn s ILE 100 N 1.43 4.03 0.08 0.64 1.01 0.05 -4.90 121.20 123.55 2bbn s ILE 100 Ca 0.00 1.88 0.05 0.00 0.00 0.00 0.00 60.65 62.58 2bbn s ILE 100 Cb -0.18 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2bbn s ILE 100 CO 0.02 0.32 -0.14 -0.44 0.00 0.00 0.00 174.94 174.70 2bbn s SER 101 N -1.33 1.70 0.35 3.58 0.01 -1.26 -3.41 113.70 113.33 2bbn s SER 101 Ca 0.46 -0.68 0.15 0.00 1.31 0.00 0.00 55.95 57.19 2bbn s SER 101 Cb -0.24 -0.04 1.10 0.00 0.21 0.00 0.00 66.02 67.05 2bbn s SER 101 CO 0.30 -0.12 1.67 0.00 0.41 0.00 0.00 173.24 175.50 2bbn h ALA 102 N 4.04 1.99 0.29 1.44 0.00 -1.97 -0.89 119.26 124.16 2bbn h ALA 102 Ca -0.40 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2bbn h ALA 102 Cb 1.19 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bbn h ALA 102 CO 0.44 -0.60 -0.14 0.00 0.00 0.00 0.00 179.25 178.95 2bbn h ALA 103 N 1.83 -0.39 -0.45 0.00 0.00 -1.99 -2.79 119.26 115.48 2bbn h ALA 103 Ca 0.73 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.55 2bbn h ALA 103 Cb 1.70 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 2bbn h ALA 103 CO -0.59 -0.39 -0.41 0.93 0.00 0.00 0.00 179.25 178.79 2bbn h GLU 104 N -1.04 -0.18 -0.54 0.00 5.08 -1.63 -0.15 114.58 116.12 2bbn h GLU 104 Ca -0.04 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2bbn h GLU 104 Cb 0.42 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 2bbn h GLU 104 CO 0.06 -0.12 -0.23 1.25 -1.00 0.00 0.00 179.01 178.98 2bbn h LEU 105 N -0.18 -0.79 -0.89 1.33 6.46 -1.35 -0.56 115.31 119.32 2bbn h LEU 105 Ca 0.08 0.19 0.17 0.00 -0.12 0.00 0.00 57.88 58.19 2bbn h LEU 105 Cb 0.38 0.44 -0.16 0.00 -0.73 0.00 0.00 40.66 40.59 2bbn h LEU 105 CO -0.52 -0.25 -0.27 -0.09 -0.62 0.00 0.00 178.44 176.69 2bbn h ARG 106 N -0.10 -0.02 -0.32 1.25 2.43 -0.75 1.00 114.38 117.88 2bbn h ARG 106 Ca 0.25 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 2bbn h ARG 106 Cb 0.49 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 2bbn h ARG 106 CO -0.61 -0.01 0.02 1.25 -1.51 0.00 0.00 179.97 179.12 2bbn h HIS 107 N -0.02 0.02 0.00 2.20 2.76 -0.51 2.15 115.15 121.75 2bbn h HIS 107 Ca 0.40 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 2bbn h HIS 107 Cb 0.64 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.63 2bbn h HIS 107 CO -0.73 -0.03 0.00 0.28 -1.30 0.00 0.00 177.93 176.15 2bbn h VAL 108 N 0.12 0.00 -0.00 5.26 2.07 -0.07 -2.73 116.25 120.91 2bbn h VAL 108 Ca 0.15 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2bbn h VAL 108 Cb 0.20 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2bbn h VAL 108 CO -0.24 0.00 -0.86 0.23 0.02 0.00 0.00 177.57 176.72 2bbn n MET 109 N -2.53 0.98 -0.10 1.57 2.00 0.30 -4.19 117.12 115.16 2bbn n MET 109 Ca 0.03 -0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.54 2bbn n MET 109 Cb 0.32 -1.36 -0.08 0.00 0.00 0.00 0.00 33.22 32.10 2bbn n MET 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2bbn n THR 110 N -1.42 1.50 0.27 2.03 -1.04 0.71 -4.22 114.28 112.11 2bbn n THR 110 Ca 0.03 -0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.97 2bbn n THR 110 Cb 0.28 -2.12 0.07 0.00 -1.82 0.00 0.00 70.33 66.74 2bbn n THR 110 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bbn n ASN 111 N -4.46 3.20 0.05 8.00 4.13 -1.05 -3.83 115.26 121.30 2bbn n ASN 111 Ca -0.28 -2.51 0.07 0.00 1.68 0.00 0.00 54.58 53.54 2bbn n ASN 111 Cb 0.60 -0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2bbn n LEU 112 N -0.03 0.66 0.00 3.41 7.94 -1.26 -4.96 117.00 122.76 2bbn n LEU 112 Ca 0.19 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2bbn n LEU 112 Cb 0.86 0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.83 2bbn n LEU 112 CO 0.19 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 2bbn n GLY 113 N 1.28 3.05 3.93 -3.96 0.00 -1.25 -5.05 105.19 103.20 2bbn n GLY 113 Ca -0.05 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2bbn n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bbn s GLU 114 N 0.00 2.44 -0.08 1.61 8.01 -1.26 -5.13 118.70 124.29 2bbn s GLU 114 Ca 0.00 -1.66 -0.00 0.00 0.01 0.00 0.00 54.97 53.32 2bbn s GLU 114 Cb 0.00 -2.40 0.02 0.00 -4.31 0.00 0.00 34.13 27.45 2bbn s GLU 114 CO 0.00 -0.45 -0.05 0.21 0.01 0.00 0.00 175.26 174.98 2bbn s LYS 115 N -4.30 1.08 0.31 1.61 2.20 -1.26 -4.62 119.74 114.76 2bbn s LYS 115 Ca 0.48 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 56.01 2bbn s LYS 115 Cb -0.04 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.02 2bbn s LYS 115 CO 0.29 -0.22 0.12 -0.48 -0.36 0.00 0.00 175.35 174.70 2bbn s LEU 116 N 1.58 1.79 0.00 5.43 2.34 -1.26 -5.16 118.68 123.40 2bbn s LEU 116 Ca 0.00 -1.50 0.00 0.00 0.06 0.00 0.00 54.13 52.70 2bbn s LEU 116 Cb -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 46.19 45.50 2bbn s LEU 116 CO -0.05 -0.80 0.00 0.35 -1.06 0.00 0.00 176.35 174.79 2bbn n THR 117 N -0.62 0.00 -0.08 5.48 -2.24 -1.26 -5.03 114.28 110.54 2bbn n THR 117 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 2bbn n THR 117 Cb 0.66 -1.49 -0.15 0.00 -2.10 0.00 0.00 70.33 67.25 2bbn n THR 117 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bbn n ASP 118 N -0.55 0.38 -0.17 3.42 8.00 -1.26 -4.32 116.55 122.05 2bbn n ASP 118 Ca 0.00 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.66 2bbn n ASP 118 Cb 0.00 1.14 0.51 0.00 -0.02 0.00 0.00 41.12 42.75 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2bbn h GLU 119 N 0.00 0.39 0.00 -1.24 5.08 -1.99 -1.04 114.58 115.78 2bbn h GLU 119 Ca -0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2bbn h GLU 119 Cb 1.93 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2bbn h GLU 119 CO 0.02 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 178.68 2bbn n GLU 120 N -4.48 0.00 -0.29 2.33 1.02 -1.26 -2.43 120.64 115.53 2bbn n GLU 120 Ca 0.15 0.24 0.03 0.00 -0.02 0.00 0.00 57.16 57.56 2bbn n GLU 120 Cb 0.55 -1.10 0.11 0.00 -0.02 0.00 0.00 31.44 30.99 2bbn n GLU 120 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bbn h VAL 121 N 0.00 0.19 0.00 2.62 2.07 -1.76 -1.21 116.25 118.16 2bbn h VAL 121 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2bbn h VAL 121 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2bbn h VAL 121 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 2bbn n ASP 122 N -5.51 0.00 -0.31 0.57 -0.08 -0.40 0.06 116.55 110.88 2bbn n ASP 122 Ca 0.12 0.86 0.24 0.00 -1.51 0.00 0.00 54.79 54.50 2bbn n ASP 122 Cb 0.43 -0.36 0.54 0.00 2.34 0.00 0.00 41.12 44.08 2bbn n ASP 122 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2bbn h GLU 123 N 0.00 0.33 0.62 -0.67 4.81 -1.09 -0.82 114.58 117.76 2bbn h GLU 123 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2bbn h GLU 123 Cb 0.00 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.31 2bbn h GLU 123 CO 0.00 0.22 -0.30 0.52 -0.73 0.00 0.00 179.01 178.72 2bbn h MET 124 N 0.34 -0.80 -0.14 1.92 2.86 0.14 -0.35 114.93 118.89 2bbn h MET 124 Ca 0.58 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 58.32 2bbn h MET 124 Cb 1.57 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 33.36 2bbn h MET 124 CO -0.25 -0.49 -0.23 0.82 1.06 0.00 0.00 176.91 177.83 2bbn h ILE 125 N -1.02 0.44 -0.09 -1.22 2.04 0.86 0.19 117.51 118.70 2bbn h ILE 125 Ca -0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2bbn h ILE 125 Cb 0.69 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2bbn h ILE 125 CO 0.14 0.00 -0.44 -0.09 0.00 0.00 0.00 178.15 177.76 2bbn h ARG 126 N -0.29 -0.52 -0.84 2.37 2.43 -1.18 0.03 114.38 116.39 2bbn h ARG 126 Ca 0.10 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.42 2bbn h ARG 126 Cb 0.44 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2bbn h ARG 126 CO -0.31 -0.35 0.54 0.93 -1.51 0.00 0.00 179.97 179.28 2bbn h GLU 127 N -0.54 0.73 0.00 0.20 5.08 -0.60 0.39 114.58 119.85 2bbn h GLU 127 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2bbn h GLU 127 Cb 0.65 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2bbn h GLU 127 CO -0.38 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 2bbn n ALA 128 N -2.43 1.67 -2.58 3.43 0.00 0.61 -4.51 120.51 116.70 2bbn n ALA 128 Ca 0.15 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 2bbn n ALA 128 Cb 0.36 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 2bbn n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bbn s ASP 129 N -2.46 6.17 -0.15 0.00 2.15 0.14 -4.94 116.67 117.57 2bbn s ASP 129 Ca 0.10 0.01 -0.11 0.00 0.43 0.00 0.00 52.55 52.98 2bbn s ASP 129 Cb 0.07 -2.18 -0.23 0.00 -0.30 0.00 0.00 42.92 40.27 2bbn s ASP 129 CO 0.14 -0.21 0.29 -0.38 -0.17 0.00 0.00 175.17 174.84 2bbn n ILE 130 N 5.15 1.69 -0.00 4.11 -0.00 -1.26 -4.94 119.36 124.11 2bbn n ILE 130 Ca -0.10 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.20 2bbn n ILE 130 Cb 0.50 -1.83 0.00 0.00 -0.00 0.00 0.00 39.64 38.31 2bbn n ILE 130 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2bbn n ASP 131 N -3.80 0.00 -3.88 4.38 5.75 -1.26 -5.03 116.55 112.71 2bbn n ASP 131 Ca -0.33 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.15 2bbn n ASP 131 Cb 0.93 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.87 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 -0.02 1.85 0.17 6.12 0.00 -1.26 -4.87 107.32 109.31 2bbn s GLY 132 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 44.72 42.14 2bbn s GLY 132 CO 0.00 1.22 0.00 1.34 0.00 0.00 0.00 173.10 175.66 2bbn n ASP 133 N 3.90 -0.81 0.00 1.64 2.03 -1.26 -5.08 116.55 116.97 2bbn n ASP 133 Ca 0.04 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2bbn n ASP 133 Cb 0.38 0.92 0.00 0.00 -0.72 0.00 0.00 41.12 41.70 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bbn n GLY 134 N 0.38 2.46 3.84 0.27 0.00 -1.26 -5.05 105.19 105.84 2bbn n GLY 134 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 3.45 -0.12 1.61 1.11 -1.26 -4.70 119.66 119.75 2bbn s GLN 135 Ca 0.00 0.90 -0.03 0.00 0.01 0.00 0.00 55.36 56.24 2bbn s GLN 135 Cb 0.00 -2.06 -0.03 0.00 -1.01 0.00 0.00 33.01 29.91 2bbn s GLN 135 CO 0.00 -0.69 0.00 0.08 0.01 0.00 0.00 175.29 174.69 2bbn s VAL 136 N -2.95 4.30 0.00 1.09 1.01 -1.22 -4.98 120.40 117.65 2bbn s VAL 136 Ca 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2bbn s VAL 136 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2bbn s VAL 136 CO 0.48 0.55 0.00 -3.20 0.00 0.00 0.00 175.10 172.92 2bbn n ASN 137 N 2.81 0.00 -0.09 3.32 2.85 -1.26 -0.77 115.26 122.12 2bbn n ASN 137 Ca -0.18 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.16 2bbn n ASN 137 Cb 0.53 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.48 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 0.00 -0.86 1.20 5.03 -1.98 -3.24 116.97 117.12 2bbn h TYR 138 Ca 0.00 0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.53 2bbn h TYR 138 Cb 0.00 0.00 -0.15 0.00 1.55 0.00 0.00 36.73 38.13 2bbn h TYR 138 CO 0.00 0.79 0.10 0.93 -1.32 0.00 0.00 178.16 178.66 2bbn h GLU 139 N -1.00 0.12 -0.11 1.82 3.07 -1.98 0.62 114.58 117.12 2bbn h GLU 139 Ca -0.17 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.60 2bbn h GLU 139 Cb 0.89 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2bbn h GLU 139 CO -0.10 0.08 -0.33 0.93 -1.40 0.00 0.00 179.01 178.19 2bbn h GLU 140 N 0.12 0.22 0.00 2.33 5.08 -1.98 -2.18 114.58 118.17 2bbn h GLU 140 Ca 0.51 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2bbn h GLU 140 Cb 0.99 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2bbn h GLU 140 CO -0.72 0.53 -0.06 0.35 -1.00 0.00 0.00 179.01 178.11 2bbn h PHE 141 N 0.19 0.00 0.09 4.33 3.04 0.18 -1.64 116.94 123.13 2bbn h PHE 141 Ca 0.02 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.67 2bbn h PHE 141 Cb 0.68 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 2bbn h PHE 141 CO 0.01 0.06 -1.62 0.28 -2.02 0.00 0.00 178.31 175.03 2bbn h VAL 142 N 0.00 1.03 0.00 1.41 2.07 -0.67 -2.80 116.25 117.29 2bbn h VAL 142 Ca -0.00 -2.73 -0.09 0.00 0.82 0.00 0.00 66.70 64.70 2bbn h VAL 142 Cb 0.53 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2bbn h VAL 142 CO 0.01 0.77 -0.41 0.74 0.02 0.00 0.00 177.57 178.70 2bbn h THR 143 N 0.05 0.89 0.00 2.57 2.02 -1.21 -3.32 112.91 113.91 2bbn h THR 143 Ca -0.27 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.21 2bbn h THR 143 Cb 2.01 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 70.46 2bbn h THR 143 CO 0.13 0.40 -0.00 -0.03 0.37 0.00 0.00 175.52 176.39 2bbn h MET 144 N 0.00 0.00 -4.97 6.66 -1.53 -1.39 -3.39 114.93 110.31 2bbn h MET 144 Ca -0.00 0.00 -0.70 0.00 -3.44 0.00 0.00 59.70 55.56 2bbn h MET 144 Cb 1.02 0.00 -0.08 0.00 -0.55 0.00 0.00 31.60 31.99 2bbn h MET 144 CO 0.05 0.17 2.47 -1.33 0.14 0.00 0.00 176.91 178.41 2bbn n MET 145 N -4.75 3.11 -3.63 0.39 2.81 -1.06 -4.83 117.12 109.16 2bbn n MET 145 Ca -0.02 -3.09 -0.06 0.00 -1.81 0.00 0.00 57.70 52.72 2bbn n MET 145 Cb 0.08 -3.36 -0.06 0.00 -0.71 0.00 0.00 33.22 29.17 2bbn n MET 145 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2bbn s THR 146 N 3.44 0.00 -0.37 2.03 -1.32 -1.26 -4.85 115.64 113.31 2bbn s THR 146 Ca 0.50 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.01 2bbn s THR 146 Cb 0.07 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.37 2bbn s THR 146 CO 0.01 0.00 1.28 -0.24 -2.21 0.00 0.00 174.62 173.45 2bbn n SER 147 N 1.46 -1.60 -0.86 8.08 2.88 -1.26 -5.04 113.62 117.28 2bbn n SER 147 Ca -0.09 -2.35 0.11 0.00 -1.33 0.00 0.00 58.87 55.20 2bbn n SER 147 Cb 0.57 1.30 0.09 0.00 -0.75 0.00 0.00 64.21 65.42 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10