#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 7.13 0.00 0.00 8.00 -1.26 -4.39 116.55 126.03 2bbn n ASP 2 Ca 0.00 -3.51 0.11 0.00 0.71 0.00 0.00 54.79 52.10 2bbn n ASP 2 Cb 0.00 -1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 39.89 2bbn n ASP 2 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2bbn n GLN 3 N 0.27 0.07 -0.52 -1.24 7.27 -1.26 -4.07 117.38 117.91 2bbn n GLN 3 Ca 0.52 -0.01 -0.01 0.00 0.07 0.00 0.00 57.00 57.57 2bbn n GLN 3 Cb 0.37 -1.51 0.18 0.00 2.41 0.00 0.00 30.24 31.68 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 -1.59 3.89 -4.86 1.69 4.77 -1.26 -4.88 117.00 114.75 2bbn n LEU 4 Ca 0.04 -1.99 -0.37 0.00 -0.03 0.00 0.00 56.01 53.65 2bbn n LEU 4 Cb 0.36 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2bbn n LEU 4 CO 0.41 0.54 -0.05 0.42 -1.33 0.00 0.00 177.39 177.39 2bbn s THR 5 N -1.86 5.30 -0.00 -5.08 -4.23 -1.26 -4.96 115.64 103.55 2bbn s THR 5 Ca 0.29 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2bbn s THR 5 Cb 0.23 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.54 2bbn s THR 5 CO 0.08 0.60 0.92 -0.62 -0.54 0.00 0.00 174.62 175.05 2bbn n GLU 6 N 1.93 0.04 -0.05 3.99 1.02 -1.26 -4.87 120.64 121.44 2bbn n GLU 6 Ca -0.17 -0.95 -0.10 0.00 -0.02 0.00 0.00 57.16 55.92 2bbn n GLU 6 Cb 0.54 -0.52 -0.03 0.00 -0.02 0.00 0.00 31.44 31.40 2bbn n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2bbn h GLU 7 N 0.00 0.25 0.79 3.49 4.81 -1.99 -0.45 114.58 121.47 2bbn h GLU 7 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2bbn h GLU 7 Cb 1.32 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.65 2bbn h GLU 7 CO 0.00 0.16 -0.38 0.37 -0.73 0.00 0.00 179.01 178.43 2bbn h GLN 8 N 0.25 -1.03 -1.36 1.92 4.15 -2.01 -2.48 115.11 114.55 2bbn h GLN 8 Ca 0.08 0.07 0.39 0.00 0.77 0.00 0.00 58.65 59.96 2bbn h GLN 8 Cb -0.01 0.23 -0.06 0.00 0.21 0.00 0.00 27.48 27.85 2bbn h GLN 8 CO -0.03 -0.68 0.97 0.82 -1.93 0.00 0.00 178.83 177.97 2bbn h ILE 9 N -1.27 0.31 -0.19 2.39 2.04 -1.89 0.44 117.51 119.35 2bbn h ILE 9 Ca -0.11 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2bbn h ILE 9 Cb 0.82 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2bbn h ILE 9 CO 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 178.15 178.30 2bbn h ALA 10 N 1.35 0.25 -0.09 1.87 0.00 -0.64 -0.76 119.26 121.24 2bbn h ALA 10 Ca 0.67 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2bbn h ALA 10 Cb 2.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 20.28 2bbn h ALA 10 CO -0.06 0.02 0.05 0.93 0.00 0.00 0.00 179.25 180.19 2bbn h GLU 11 N 0.07 0.13 -0.85 0.00 5.08 0.22 -2.31 114.58 116.93 2bbn h GLU 11 Ca 0.05 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2bbn h GLU 11 Cb 0.47 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2bbn h GLU 11 CO 0.02 0.19 0.56 0.35 -1.00 0.00 0.00 179.01 179.13 2bbn h PHE 12 N 0.03 1.03 -0.16 4.33 3.57 -1.34 -2.18 116.94 122.22 2bbn h PHE 12 Ca 0.03 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2bbn h PHE 12 Cb 0.11 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 2bbn h PHE 12 CO -0.04 0.61 -0.00 -0.22 -2.23 0.00 0.00 178.31 176.43 2bbn h LYS 13 N 1.08 0.04 -0.52 1.11 3.64 -0.73 -2.12 116.57 119.07 2bbn h LYS 13 Ca 0.33 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 2bbn h LYS 13 Cb -0.02 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 2bbn h LYS 13 CO -0.09 0.03 -0.16 0.93 -2.27 0.00 0.00 179.45 177.89 2bbn h GLU 14 N 0.05 -0.03 -1.01 1.90 4.39 -0.86 0.46 114.58 119.47 2bbn h GLU 14 Ca 0.07 0.00 0.24 0.00 0.34 0.00 0.00 59.36 60.01 2bbn h GLU 14 Cb 0.09 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.64 2bbn h GLU 14 CO -0.13 -0.02 0.62 0.00 -1.16 0.00 0.00 179.01 178.32 2bbn h ALA 15 N 1.45 1.92 -0.12 3.43 0.00 -1.16 0.92 119.26 125.70 2bbn h ALA 15 Ca 0.25 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2bbn h ALA 15 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2bbn h ALA 15 CO -0.55 -0.34 -0.17 0.35 0.00 0.00 0.00 179.25 178.53 2bbn h PHE 16 N 0.56 0.21 0.00 0.00 3.57 0.27 -0.64 116.94 120.90 2bbn h PHE 16 Ca 0.61 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.08 2bbn h PHE 16 Cb 1.24 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2bbn h PHE 16 CO -0.00 0.36 -0.95 0.43 -2.23 0.00 0.00 178.31 175.92 2bbn n SER 17 N -4.25 0.63 -0.02 0.41 7.64 0.26 -2.94 113.62 115.34 2bbn n SER 17 Ca -0.01 -0.18 -0.07 0.00 1.01 0.00 0.00 58.87 59.61 2bbn n SER 17 Cb 0.29 0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 64.05 2bbn n SER 17 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bbn n LEU 18 N -1.95 0.81 0.03 -3.43 7.94 0.21 -4.19 117.00 116.41 2bbn n LEU 18 Ca 0.02 0.38 0.07 0.00 -1.11 0.00 0.00 56.01 55.37 2bbn n LEU 18 Cb 0.43 0.18 -0.09 0.00 0.53 0.00 0.00 43.42 44.47 2bbn n LEU 18 CO 0.40 0.36 -0.42 0.33 -1.11 0.00 0.00 177.39 176.94 2bbn n PHE 19 N -3.00 0.56 -2.14 1.96 7.35 -0.29 -4.54 117.46 117.37 2bbn n PHE 19 Ca -0.17 0.17 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 2bbn n PHE 19 Cb 1.02 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 40.02 2bbn n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2bbn n ASP 20 N -2.59 4.62 0.00 -2.13 2.03 -1.15 -4.69 116.55 112.64 2bbn n ASP 20 Ca -0.07 -2.99 0.08 0.00 0.52 0.00 0.00 54.79 52.33 2bbn n ASP 20 Cb 0.68 -1.56 0.48 0.00 -0.72 0.00 0.00 41.12 40.00 2bbn n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bbn n LYS 21 N 4.99 0.61 0.00 -0.67 5.02 -1.26 -4.06 118.16 122.79 2bbn n LYS 21 Ca 0.45 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2bbn n LYS 21 Cb 0.38 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bbn n ASP 22 N -0.92 0.00 0.00 4.39 8.00 -1.26 -5.06 116.55 121.70 2bbn n ASP 22 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2bbn n ASP 22 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 23 N 2.60 0.06 0.30 0.44 0.00 -1.26 -4.99 105.19 102.35 2bbn n GLY 23 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2bbn n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bbn h ASP 24 N 0.00 0.91 -2.89 1.61 3.04 -1.97 -3.47 116.42 113.64 2bbn h ASP 24 Ca 0.00 -0.21 -0.03 0.00 -3.24 0.00 0.00 57.03 53.54 2bbn h ASP 24 Cb 0.00 -0.24 0.02 0.00 -1.04 0.00 0.00 39.33 38.07 2bbn h ASP 24 CO 0.00 0.93 -0.10 0.61 -2.04 0.00 0.00 179.24 178.65 2bbn n GLY 25 N -0.63 0.53 3.59 7.15 0.00 -1.26 -5.08 105.19 109.49 2bbn n GLY 25 Ca 0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.04 -0.00 -0.30 2.61 -4.23 -1.26 -4.67 115.64 104.74 2bbn s THR 26 Ca 0.03 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 2bbn s THR 26 Cb -0.00 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 2bbn s THR 26 CO 0.09 0.00 1.54 -0.63 -0.54 0.00 0.00 174.62 175.08 2bbn s ILE 27 N 1.20 3.78 0.20 2.99 -1.09 -1.14 -4.77 121.20 122.37 2bbn s ILE 27 Ca -0.07 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.24 2bbn s ILE 27 Cb -0.05 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2bbn s ILE 27 CO -0.13 -0.46 0.14 0.41 -1.23 0.00 0.00 174.94 173.68 2bbn n THR 28 N 6.72 0.00 0.29 2.92 -1.04 -1.26 -3.50 114.28 118.42 2bbn n THR 28 Ca 0.18 -1.40 0.17 0.00 -2.04 0.00 0.00 64.05 60.96 2bbn n THR 28 Cb 0.46 0.65 0.95 0.00 -1.82 0.00 0.00 70.33 70.58 2bbn n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2bbn h THR 29 N 1.57 0.42 0.19 12.58 1.35 -1.90 0.86 112.91 127.98 2bbn h THR 29 Ca -0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2bbn h THR 29 Cb 0.69 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2bbn h THR 29 CO 0.22 0.00 -0.09 0.11 -0.25 0.00 0.00 175.52 175.51 2bbn h LYS 30 N 0.00 -0.25 -0.35 4.72 1.79 -1.95 0.43 116.57 120.96 2bbn h LYS 30 Ca 0.02 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2bbn h LYS 30 Cb 0.11 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2bbn h LYS 30 CO -0.00 -0.17 0.15 0.93 -1.08 0.00 0.00 179.45 179.29 2bbn h GLU 31 N -0.58 0.48 0.13 3.15 5.08 -1.83 0.15 114.58 121.16 2bbn h GLU 31 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2bbn h GLU 31 Cb 0.20 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bbn h GLU 31 CO 0.04 0.39 -0.06 1.25 -1.00 0.00 0.00 179.01 179.63 2bbn h LEU 32 N 0.49 -0.15 0.77 1.33 5.85 -0.91 -2.53 115.31 120.15 2bbn h LEU 32 Ca 0.12 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2bbn h LEU 32 Cb 0.08 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.15 2bbn h LEU 32 CO -0.02 0.40 -0.37 1.23 -0.34 0.00 0.00 178.44 179.35 2bbn h GLY 33 N -0.79 -1.08 -0.38 3.75 0.00 0.09 0.53 103.07 105.19 2bbn h GLY 33 Ca -0.02 0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.78 2bbn h GLY 33 CO 0.03 -0.39 -0.45 -0.91 0.00 0.00 0.00 176.54 174.82 2bbn h THR 34 N -1.04 0.09 0.23 4.70 1.35 -1.12 0.45 112.91 117.58 2bbn h THR 34 Ca -0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 2bbn h THR 34 Cb 0.79 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2bbn h THR 34 CO 0.17 0.00 -0.11 0.58 -0.25 0.00 0.00 175.52 175.91 2bbn h VAL 35 N -0.30 0.00 -0.99 6.82 2.07 -1.44 -2.44 116.25 119.97 2bbn h VAL 35 Ca 0.14 -0.12 0.34 0.00 0.82 0.00 0.00 66.70 67.89 2bbn h VAL 35 Cb 0.58 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.19 2bbn h VAL 35 CO -0.62 0.00 0.50 -0.03 0.02 0.00 0.00 177.57 177.45 2bbn h MET 36 N -0.43 0.19 -0.12 1.57 -1.53 0.13 0.78 114.93 115.52 2bbn h MET 36 Ca -0.03 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.24 2bbn h MET 36 Cb 0.24 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.23 2bbn h MET 36 CO 0.05 0.12 -0.01 -0.09 0.14 0.00 0.00 176.91 177.12 2bbn h ARG 37 N 0.19 0.02 0.00 0.39 1.12 -0.05 2.39 114.38 118.44 2bbn h ARG 37 Ca 0.75 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.62 2bbn h ARG 37 Cb 1.79 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.75 2bbn h ARG 37 CO -0.68 0.01 0.00 0.43 -3.11 0.00 0.00 179.97 176.62 2bbn n SER 38 N -5.13 0.00 0.00 -3.80 7.64 0.26 -0.59 113.62 112.00 2bbn n SER 38 Ca -0.04 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2bbn n SER 38 Cb 0.08 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2bbn n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bbn n LEU 39 N -1.20 0.00 0.00 -3.43 7.94 0.14 -5.03 117.00 115.42 2bbn n LEU 39 Ca 0.02 -0.48 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 2bbn n LEU 39 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2bbn n LEU 39 CO 0.03 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 2bbn n GLY 40 N 0.98 1.90 0.00 -3.96 0.00 0.76 -4.98 105.19 99.89 2bbn n GLY 40 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -2.71 1.61 6.02 -1.21 -4.90 117.38 116.20 2bbn n GLN 41 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2bbn n GLN 41 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 2bbn n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bbn s ASN 42 N 1.79 -0.33 0.00 1.08 -0.87 -1.26 -4.24 114.94 111.12 2bbn s ASN 42 Ca 0.00 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 50.97 2bbn s ASN 42 Cb 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 41.25 41.66 2bbn s ASN 42 CO 0.00 -0.02 0.51 -0.81 -2.57 0.00 0.00 177.10 174.21 2bbn n PRO 43 N 2.94 0.00 -4.00 -0.60 -0.05 -1.26 -5.00 135.00 127.03 2bbn n PRO 43 Ca 0.10 0.30 -0.09 0.00 -0.05 0.00 0.00 63.50 63.76 2bbn n PRO 43 Cb 0.64 -1.12 -0.06 0.00 -0.05 0.00 0.00 33.50 32.91 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 2bbn s THR 44 N -1.62 0.01 -0.25 0.52 -4.23 -1.26 -5.07 115.64 103.74 2bbn s THR 44 Ca 0.00 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 2bbn s THR 44 Cb 0.00 -2.16 -0.18 0.00 1.34 0.00 0.00 72.50 71.50 2bbn s THR 44 CO 0.00 -0.04 -0.18 -1.84 -0.54 0.00 0.00 174.62 172.02 2bbn n GLU 45 N -0.35 0.66 0.07 3.99 0.28 -1.26 -4.13 120.64 119.90 2bbn n GLU 45 Ca -0.02 0.12 0.02 0.00 -0.16 0.00 0.00 57.16 57.12 2bbn n GLU 45 Cb 0.62 -1.51 0.38 0.00 1.43 0.00 0.00 31.44 32.36 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bbn h ALA 46 N 0.16 1.51 0.00 -1.84 0.00 -2.00 -1.53 119.26 115.55 2bbn h ALA 46 Ca -0.57 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 2bbn h ALA 46 Cb 1.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2bbn h ALA 46 CO -0.07 0.35 -0.36 1.49 0.00 0.00 0.00 179.25 180.66 2bbn h GLU 47 N 0.34 0.00 0.02 0.00 4.22 -1.99 -2.76 114.58 114.40 2bbn h GLU 47 Ca 0.08 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.31 2bbn h GLU 47 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2bbn h GLU 47 CO 0.01 0.36 -0.95 -0.07 -2.18 0.00 0.00 179.01 176.18 2bbn h LEU 48 N 0.00 0.13 0.08 1.64 4.07 -1.45 -2.62 115.31 117.16 2bbn h LEU 48 Ca -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 2bbn h LEU 48 Cb 0.74 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.44 2bbn h LEU 48 CO 0.05 1.00 -0.04 1.56 -1.08 0.00 0.00 178.44 179.93 2bbn h GLN 49 N 0.04 -0.10 -0.15 1.13 1.08 -1.17 -1.97 115.11 113.96 2bbn h GLN 49 Ca -0.04 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2bbn h GLN 49 Cb 1.64 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.08 2bbn h GLN 49 CO 0.13 0.26 0.08 -0.44 -0.95 0.00 0.00 178.83 177.92 2bbn h ASP 50 N -0.48 0.19 -0.90 1.46 5.19 -1.60 0.00 116.42 120.28 2bbn h ASP 50 Ca -0.01 -0.09 0.18 0.00 -0.62 0.00 0.00 57.03 56.49 2bbn h ASP 50 Cb 0.41 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.80 2bbn h ASP 50 CO 0.02 0.22 0.58 -0.03 -3.12 0.00 0.00 179.24 176.92 2bbn h MET 51 N 0.13 0.49 -0.00 3.56 4.05 -1.48 -0.75 114.93 120.94 2bbn h MET 51 Ca 0.05 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2bbn h MET 51 Cb 0.08 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2bbn h MET 51 CO -0.01 0.33 -0.01 0.82 0.23 0.00 0.00 176.91 178.27 2bbn h ILE 52 N 0.51 1.57 0.00 1.77 2.04 -0.62 -2.99 117.51 119.79 2bbn h ILE 52 Ca 0.47 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2bbn h ILE 52 Cb 1.01 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2bbn h ILE 52 CO -0.20 0.44 0.03 0.59 0.00 0.00 0.00 178.15 179.02 2bbn n ASN 53 N -4.74 0.17 0.00 1.72 4.13 -0.08 -0.23 115.26 116.22 2bbn n ASN 53 Ca -0.09 0.55 0.13 0.00 1.68 0.00 0.00 54.58 56.85 2bbn n ASN 53 Cb 0.36 -0.57 0.65 0.00 -1.54 0.00 0.00 39.78 38.68 2bbn n ASN 53 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2bbn n GLU 54 N -1.71 0.29 0.00 3.52 2.13 -0.38 -4.07 120.64 120.43 2bbn n GLU 54 Ca -0.00 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2bbn n GLU 54 Cb 0.04 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.25 2bbn n GLU 54 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bbn n VAL 55 N -1.34 0.00 -1.50 6.31 0.31 0.68 -5.01 118.33 117.77 2bbn n VAL 55 Ca 0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 2bbn n VAL 55 Cb 0.24 -0.23 -0.18 0.00 -0.91 0.00 0.00 33.84 32.76 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2bbn n ASP 56 N -1.35 -0.32 -3.70 4.52 2.03 -0.20 -4.74 116.55 112.78 2bbn n ASP 56 Ca 0.00 -0.19 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 2bbn n ASP 56 Cb 0.15 -0.81 -0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbn n ALA 57 N 8.88 5.92 -0.01 -1.67 0.00 -1.26 -4.26 120.51 128.11 2bbn n ALA 57 Ca 0.65 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2bbn n ALA 57 Cb 0.11 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.43 2bbn n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bbn n ASP 58 N 3.98 0.00 0.00 0.00 2.03 -1.26 -5.02 116.55 116.28 2bbn n ASP 58 Ca 0.51 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2bbn n ASP 58 Cb 0.33 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bbn n GLY 59 N -1.50 0.49 0.00 0.27 0.00 -1.26 -4.97 105.19 98.23 2bbn n GLY 59 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 5.03 -1.26 -4.77 115.26 115.87 2bbn n ASN 60 Ca 0.00 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 54.97 2bbn n ASN 60 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.10 0.44 3.23 7.41 0.00 -1.26 -4.92 105.19 110.00 2bbn n GLY 61 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.30 0.12 0.01 2.61 -4.23 -1.26 -4.79 115.64 105.79 2bbn s THR 62 Ca 0.00 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2bbn s THR 62 Cb 0.00 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 2bbn s THR 62 CO 0.00 -0.54 0.22 0.27 -0.54 0.00 0.00 174.62 174.03 2bbn s ILE 63 N -3.55 5.38 0.00 2.99 -4.36 -1.23 -4.86 121.20 115.57 2bbn s ILE 63 Ca 0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 2bbn s ILE 63 Cb 0.03 -3.56 0.00 0.00 1.25 0.00 0.00 42.46 40.18 2bbn s ILE 63 CO -0.10 0.30 0.00 -0.67 0.24 0.00 0.00 174.94 174.72 2bbn n ASP 64 N 0.88 1.08 0.10 4.36 -0.08 -1.26 -2.88 116.55 118.75 2bbn n ASP 64 Ca -0.10 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.08 2bbn n ASP 64 Cb 0.52 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.93 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2bbn h PHE 65 N 0.00 -0.89 0.05 -0.67 -1.00 -1.99 -0.57 116.94 111.86 2bbn h PHE 65 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2bbn h PHE 65 Cb 0.00 0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2bbn h PHE 65 CO 0.00 -0.37 -0.11 -1.00 -1.61 0.00 0.00 178.31 175.22 2bbn h PRO 66 N -0.50 -0.16 -0.99 1.51 0.13 -1.99 -1.92 132.00 128.07 2bbn h PRO 66 Ca -0.02 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 2bbn h PRO 66 Cb 0.48 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.50 2bbn h PRO 66 CO -0.13 -0.11 -0.49 0.93 -0.23 0.00 0.00 178.00 177.97 2bbn h GLU 67 N -0.17 -0.00 0.03 0.86 5.08 -1.94 0.38 114.58 118.81 2bbn h GLU 67 Ca -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 67 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2bbn h GLU 67 CO -0.04 -0.00 -0.20 0.35 -1.00 0.00 0.00 179.01 178.11 2bbn h PHE 68 N -0.00 -0.60 -0.90 4.33 3.04 -0.98 0.26 116.94 122.09 2bbn h PHE 68 Ca 0.25 0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.43 2bbn h PHE 68 Cb 0.50 0.26 -0.17 0.00 2.56 0.00 0.00 35.95 39.10 2bbn h PHE 68 CO -0.95 -0.23 -0.09 -0.07 -2.02 0.00 0.00 178.31 174.96 2bbn h LEU 69 N -0.28 -0.61 -0.85 0.59 3.38 -0.47 0.97 115.31 118.05 2bbn h LEU 69 Ca 0.00 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2bbn h LEU 69 Cb 0.29 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2bbn h LEU 69 CO -0.12 -0.29 0.56 0.74 0.09 0.00 0.00 178.44 179.42 2bbn h THR 70 N 0.03 1.20 -0.22 0.22 2.02 -0.08 0.72 112.91 116.80 2bbn h THR 70 Ca 0.49 -0.39 0.06 0.00 0.77 0.00 0.00 66.41 67.34 2bbn h THR 70 Cb 0.87 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2bbn h THR 70 CO -0.87 0.21 0.19 -0.03 0.37 0.00 0.00 175.52 175.39 2bbn h MET 71 N 1.14 0.00 0.00 6.66 1.85 0.45 0.13 114.93 125.16 2bbn h MET 71 Ca 0.32 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.40 2bbn h MET 71 Cb -0.10 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 31.92 2bbn h MET 71 CO -0.08 0.00 -1.97 -0.12 -0.40 0.00 0.00 176.91 174.34 2bbn n MET 72 N -4.11 0.64 -0.01 0.39 0.00 -0.25 -4.18 117.12 109.60 2bbn n MET 72 Ca 0.02 -0.19 0.13 0.00 0.00 0.00 0.00 57.70 57.67 2bbn n MET 72 Cb 0.33 -1.50 0.41 0.00 0.00 0.00 0.00 33.22 32.46 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 -2.24 2.54 -2.26 -5.12 0.00 0.24 -4.86 120.51 108.80 2bbn n ALA 73 Ca -0.04 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2bbn n ALA 73 Cb 0.56 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.96 3.90 0.07 0.00 0.52 0.34 -4.99 118.95 116.83 2bbn s ARG 74 Ca 0.35 1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 56.88 2bbn s ARG 74 Cb 0.20 -3.95 -0.07 0.00 0.52 0.00 0.00 34.95 31.66 2bbn s ARG 74 CO 0.32 -1.16 0.59 -1.59 0.02 0.00 0.00 175.30 173.48 2bbn s LYS 75 N 4.34 4.24 -0.29 3.54 0.00 -1.26 -5.04 119.74 125.26 2bbn s LYS 75 Ca 0.64 0.77 0.01 0.00 0.00 0.00 0.00 55.97 57.38 2bbn s LYS 75 Cb -0.22 -3.25 0.19 0.00 0.00 0.00 0.00 37.83 34.56 2bbn s LYS 75 CO 0.25 0.61 0.67 0.00 0.00 0.00 0.00 175.35 176.88 2bbn s MET 76 N -1.03 0.50 0.00 1.78 0.23 -1.26 -5.00 119.30 114.53 2bbn s MET 76 Ca 0.30 0.66 0.27 0.00 -1.03 0.00 0.00 55.69 55.89 2bbn s MET 76 Cb -0.20 0.34 0.91 0.00 -1.53 0.00 0.00 34.83 34.36 2bbn s MET 76 CO 0.19 -0.77 1.66 0.36 -2.03 0.00 0.00 175.02 174.44 2bbn n LYS 77 N 5.40 0.91 0.00 3.16 2.85 -1.26 -3.64 118.16 125.59 2bbn n LYS 77 Ca 0.02 -0.49 0.14 0.00 -1.05 0.00 0.00 58.31 56.94 2bbn n LYS 77 Cb 0.53 -1.49 0.84 0.00 -0.65 0.00 0.00 35.03 34.26 2bbn n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2bbn n ASP 78 N -0.62 0.00 -3.09 -5.58 9.92 -1.26 -3.97 116.55 111.95 2bbn n ASP 78 Ca 0.14 -0.99 -0.19 0.00 -0.53 0.00 0.00 54.79 53.22 2bbn n ASP 78 Cb 0.33 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.78 2bbn n ASP 78 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2bbn n THR 79 N -0.97 -0.39 -2.82 -3.53 -2.24 -1.24 -5.09 114.28 98.00 2bbn n THR 79 Ca 0.21 -3.58 -0.42 0.00 -2.27 0.00 0.00 64.05 57.99 2bbn n THR 79 Cb 0.10 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.60 2bbn n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn s ASP 80 N -1.60 6.74 0.08 3.42 2.15 -1.25 -4.99 116.67 121.22 2bbn s ASP 80 Ca 0.35 0.74 -0.26 0.00 0.43 0.00 0.00 52.55 53.81 2bbn s ASP 80 Cb 0.24 -2.46 0.08 0.00 -0.30 0.00 0.00 42.92 40.48 2bbn s ASP 80 CO -0.12 -0.76 0.73 -0.55 -0.17 0.00 0.00 175.17 174.30 2bbn s SER 81 N 1.71 -0.47 -0.23 -0.34 0.15 -1.26 -5.04 113.70 108.22 2bbn s SER 81 Ca 0.38 -0.01 0.14 0.00 0.70 0.00 0.00 55.95 57.16 2bbn s SER 81 Cb -0.13 0.50 0.52 0.00 -1.71 0.00 0.00 66.02 65.20 2bbn s SER 81 CO 0.15 -0.81 1.44 -1.84 1.20 0.00 0.00 173.24 173.38 2bbn n GLU 82 N -0.32 2.46 0.07 5.44 0.28 -1.26 -4.65 120.64 122.65 2bbn n GLU 82 Ca -0.13 -2.96 0.13 0.00 -0.16 0.00 0.00 57.16 54.03 2bbn n GLU 82 Cb 0.63 -1.84 0.61 0.00 1.43 0.00 0.00 31.44 32.27 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 1.43 0.14 0.42 3.44 4.39 -1.99 -1.03 114.58 121.37 2bbn h GLU 83 Ca 0.10 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2bbn h GLU 83 Cb 1.55 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2bbn h GLU 83 CO 0.30 0.09 -0.20 0.93 -1.16 0.00 0.00 179.01 178.98 2bbn h GLU 84 N 0.15 -0.54 -0.97 2.33 3.07 -2.02 -2.72 114.58 113.88 2bbn h GLU 84 Ca 0.17 0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.22 2bbn h GLU 84 Cb 0.47 0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 28.41 2bbn h GLU 84 CO -0.02 -0.36 0.58 0.82 -1.40 0.00 0.00 179.01 178.63 2bbn h ILE 85 N -0.63 0.79 -0.23 3.13 5.03 -1.88 -2.35 117.51 121.37 2bbn h ILE 85 Ca -0.06 -0.28 0.03 0.00 -0.12 0.00 0.00 64.86 64.43 2bbn h ILE 85 Cb 0.43 -0.10 -0.05 0.00 -3.03 0.00 0.00 36.82 34.06 2bbn h ILE 85 CO 0.09 0.15 -0.39 -0.09 -0.68 0.00 0.00 178.15 177.24 2bbn h ARG 86 N 0.82 -0.30 -0.61 2.37 2.43 -1.10 0.51 114.38 118.50 2bbn h ARG 86 Ca 0.52 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.83 2bbn h ARG 86 Cb 0.69 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.22 2bbn h ARG 86 CO -0.33 -0.20 0.12 1.49 -1.51 0.00 0.00 179.97 179.54 2bbn h GLU 87 N -0.31 0.24 -0.22 0.20 4.57 -1.11 0.55 114.58 118.49 2bbn h GLU 87 Ca 0.04 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2bbn h GLU 87 Cb 0.43 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2bbn h GLU 87 CO -0.38 0.16 0.30 0.00 -1.18 0.00 0.00 179.01 177.91 2bbn h ALA 88 N 1.50 1.80 0.10 2.92 0.00 -0.70 0.18 119.26 125.06 2bbn h ALA 88 Ca 0.33 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 2bbn h ALA 88 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bbn h ALA 88 CO -0.42 -0.42 -1.23 0.35 0.00 0.00 0.00 179.25 177.53 2bbn h PHE 89 N 0.00 0.39 -0.19 0.00 3.57 0.21 -2.80 116.94 118.12 2bbn h PHE 89 Ca 0.11 -0.28 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 2bbn h PHE 89 Cb 0.71 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2bbn h PHE 89 CO 0.00 1.23 -0.20 -0.09 -2.23 0.00 0.00 178.31 177.02 2bbn h ARG 90 N 0.06 0.47 0.15 1.11 2.43 -0.09 -1.65 114.38 116.86 2bbn h ARG 90 Ca -0.12 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 2bbn h ARG 90 Cb 1.94 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2bbn h ARG 90 CO 0.18 0.83 -0.07 -0.39 -1.51 0.00 0.00 179.97 179.01 2bbn h VAL 91 N 0.13 0.99 -0.78 0.20 -1.51 -1.44 -3.11 116.25 110.73 2bbn h VAL 91 Ca 0.03 -0.70 0.06 0.00 -1.23 0.00 0.00 66.70 64.86 2bbn h VAL 91 Cb 0.75 1.41 -0.06 0.00 -2.13 0.00 0.00 31.29 31.26 2bbn h VAL 91 CO 0.05 0.16 0.47 -0.26 -1.23 0.00 0.00 177.57 176.76 2bbn h PHE 92 N -0.55 0.87 -2.53 5.19 0.04 -1.58 -2.96 116.94 115.42 2bbn h PHE 92 Ca -0.02 0.03 -0.80 0.00 2.80 0.00 0.00 57.97 59.98 2bbn h PHE 92 Cb 0.42 -0.27 -0.26 0.00 2.20 0.00 0.00 35.95 38.04 2bbn h PHE 92 CO 0.03 0.43 1.06 -3.47 -0.60 0.00 0.00 178.31 175.77 2bbn n ASP 93 N -4.68 6.48 0.00 2.17 2.03 -0.62 -4.60 116.55 117.33 2bbn n ASP 93 Ca 0.11 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 52.00 2bbn n ASP 93 Cb 0.17 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 2bbn n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bbn n LYS 94 N 1.43 0.00 -1.54 -0.67 4.76 -1.12 -4.01 118.16 117.01 2bbn n LYS 94 Ca 0.33 0.52 -0.41 0.00 -2.87 0.00 0.00 58.31 55.88 2bbn n LYS 94 Cb 0.32 -1.13 -0.05 0.00 -1.84 0.00 0.00 35.03 32.33 2bbn n LYS 94 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2bbn n ASP 95 N -1.37 2.32 -4.47 4.39 5.68 -1.26 -4.76 116.55 117.08 2bbn n ASP 95 Ca 0.00 -0.07 -0.44 0.00 -0.50 0.00 0.00 54.79 53.78 2bbn n ASP 95 Cb 0.00 -1.45 -0.11 0.00 -1.14 0.00 0.00 41.12 38.42 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 96 N 6.11 -0.18 0.00 6.12 0.00 -1.26 -4.49 105.19 111.48 2bbn n GLY 96 Ca 0.39 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.44 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 11.01 0.33 0.00 1.61 4.13 -1.26 -5.04 115.26 126.05 2bbn n ASN 97 Ca 0.56 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.82 2bbn n ASN 97 Cb 0.14 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 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 1.18 2.95 3.24 7.41 0.00 -1.26 -5.02 105.19 113.70 2bbn n GLY 98 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.95 2.49 0.23 1.61 0.08 -1.26 -4.10 117.98 114.07 2bbn s PHE 99 Ca 0.00 -0.88 -0.30 0.00 0.12 0.00 0.00 56.93 55.87 2bbn s PHE 99 Cb 0.00 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.72 2bbn s PHE 99 CO 0.00 -0.31 1.11 0.42 -0.10 0.00 0.00 175.22 176.34 2bbn s ILE 100 N 0.08 3.64 0.09 0.64 1.01 -0.92 -4.86 121.20 120.87 2bbn s ILE 100 Ca -0.11 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.13 2bbn s ILE 100 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2bbn s ILE 100 CO 0.06 0.31 -0.20 -0.44 0.00 0.00 0.00 174.94 174.67 2bbn s SER 101 N -0.45 2.45 0.58 3.58 0.01 -1.26 -3.45 113.70 115.16 2bbn s SER 101 Ca 0.47 -0.64 0.37 0.00 1.31 0.00 0.00 55.95 57.47 2bbn s SER 101 Cb -0.31 -0.15 1.35 0.00 0.21 0.00 0.00 66.02 67.12 2bbn s SER 101 CO 0.38 0.07 1.50 0.00 0.41 0.00 0.00 173.24 175.60 2bbn h ALA 102 N 4.28 3.30 0.12 1.44 0.00 -1.97 -0.94 119.26 125.49 2bbn h ALA 102 Ca -0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2bbn h ALA 102 Cb 1.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bbn h ALA 102 CO 0.41 -1.93 -0.06 0.00 0.00 0.00 0.00 179.25 177.67 2bbn h ALA 103 N 0.87 -0.22 -0.55 0.00 0.00 -1.98 -2.51 119.26 114.87 2bbn h ALA 103 Ca 0.66 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.59 2bbn h ALA 103 Cb 3.09 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 20.86 2bbn h ALA 103 CO -0.01 -0.21 -0.45 0.93 0.00 0.00 0.00 179.25 179.52 2bbn h GLU 104 N -0.69 -0.15 -0.05 0.00 5.08 -1.57 -1.42 114.58 115.79 2bbn h GLU 104 Ca -0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2bbn h GLU 104 Cb 0.12 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2bbn h GLU 104 CO 0.03 -0.10 -0.09 1.25 -1.00 0.00 0.00 179.01 179.09 2bbn h LEU 105 N -0.16 -0.28 -1.73 1.33 5.85 -1.67 0.12 115.31 118.77 2bbn h LEU 105 Ca 0.09 0.05 0.34 0.00 0.84 0.00 0.00 57.88 59.20 2bbn h LEU 105 Cb 0.39 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2bbn h LEU 105 CO -0.60 -0.13 1.02 -0.09 -0.34 0.00 0.00 178.44 178.30 2bbn h ARG 106 N -0.14 0.00 -0.00 1.25 1.12 -0.82 1.25 114.38 117.03 2bbn h ARG 106 Ca 0.05 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.72 2bbn h ARG 106 Cb 0.21 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2bbn h ARG 106 CO -0.13 0.00 -0.80 1.25 -3.11 0.00 0.00 179.97 177.18 2bbn h HIS 107 N 0.00 0.82 0.06 2.20 2.76 -0.08 -2.45 115.15 118.46 2bbn h HIS 107 Ca 0.56 -0.44 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2bbn h HIS 107 Cb 2.59 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 31.46 2bbn h HIS 107 CO 0.00 1.27 -0.03 0.28 -1.30 0.00 0.00 177.93 178.15 2bbn h VAL 108 N 0.13 1.02 -0.24 5.26 2.07 0.16 -2.61 116.25 122.03 2bbn h VAL 108 Ca -0.10 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 65.91 2bbn h VAL 108 Cb 1.48 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.06 2bbn h VAL 108 CO 0.16 0.32 -0.06 0.24 0.02 0.00 0.00 177.57 178.24 2bbn h MET 109 N -0.94 -0.00 -0.69 1.57 2.07 -0.28 0.15 114.93 116.81 2bbn h MET 109 Ca -0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 2bbn h MET 109 Cb 0.58 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.27 2bbn h MET 109 CO 0.01 -0.00 0.40 0.00 1.07 0.00 0.00 176.91 178.39 2bbn h THR 110 N -0.00 1.21 0.00 2.22 1.03 -1.57 0.12 112.91 115.90 2bbn h THR 110 Ca 0.12 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 2bbn h THR 110 Cb 0.18 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 67.53 2bbn h THR 110 CO -0.25 0.22 0.00 -3.20 -0.01 0.00 0.00 175.52 172.28 2bbn n ASN 111 N -4.53 0.00 0.04 0.00 5.15 -0.84 -2.76 115.26 112.32 2bbn n ASN 111 Ca 0.06 -1.24 0.13 0.00 -0.60 0.00 0.00 54.58 52.92 2bbn n ASN 111 Cb 0.07 0.00 0.38 0.00 -0.53 0.00 0.00 39.78 39.70 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2bbn n LEU 112 N -0.77 0.47 0.00 1.20 7.94 0.03 -4.96 117.00 120.91 2bbn n LEU 112 Ca 0.11 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2bbn n LEU 112 Cb 0.05 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.68 2bbn n LEU 112 CO 0.08 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 2bbn n GLY 113 N 1.42 -0.88 3.84 -3.96 0.00 -1.11 -5.09 105.19 99.40 2bbn n GLY 113 Ca 0.05 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 2bbn n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbn s GLU 114 N 0.00 3.83 -1.02 1.61 2.12 -1.26 -4.94 118.70 119.05 2bbn s GLU 114 Ca 0.00 0.99 -0.05 0.00 0.36 0.00 0.00 54.97 56.26 2bbn s GLU 114 Cb 0.00 -2.12 0.05 0.00 0.26 0.00 0.00 34.13 32.33 2bbn s GLU 114 CO 0.00 -0.37 2.64 1.17 -0.54 0.00 0.00 175.26 178.16 2bbn n LYS 115 N -1.70 3.71 -1.37 4.30 4.81 -1.26 -4.31 118.16 122.34 2bbn n LYS 115 Ca 0.07 -2.85 -0.38 0.00 -0.87 0.00 0.00 58.31 54.28 2bbn n LYS 115 Cb 0.54 -2.47 0.03 0.00 0.02 0.00 0.00 35.03 33.15 2bbn n LYS 115 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2bbn n LEU 116 N 1.73 -1.04 0.00 3.14 4.77 -1.26 -4.99 117.00 119.35 2bbn n LEU 116 Ca 0.59 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 2bbn n LEU 116 Cb 0.38 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2bbn n LEU 116 CO 0.56 -3.77 0.00 0.35 -1.33 0.00 0.00 177.39 173.21 2bbn n THR 117 N -1.64 0.00 -0.03 -5.08 -2.24 -1.26 -4.81 114.28 99.22 2bbn n THR 117 Ca 0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.89 2bbn n THR 117 Cb 0.47 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.00 2.03 -0.19 3.42 8.00 -1.26 -4.51 116.55 124.05 2bbn n ASP 118 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2bbn n ASP 118 Cb 0.00 1.23 0.02 0.00 -0.02 0.00 0.00 41.12 42.35 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2bbn h GLU 119 N 0.00 0.77 0.00 -1.24 4.57 -1.99 -1.10 114.58 115.59 2bbn h GLU 119 Ca -0.15 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2bbn h GLU 119 Cb 1.11 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2bbn h GLU 119 CO 0.01 0.63 0.00 0.39 -1.18 0.00 0.00 179.01 178.86 2bbn n GLU 120 N -4.58 0.00 -0.28 1.92 4.71 -1.26 -2.16 120.64 118.99 2bbn n GLU 120 Ca 0.03 0.49 0.08 0.00 -0.01 0.00 0.00 57.16 57.75 2bbn n GLU 120 Cb 0.12 -1.46 0.20 0.00 -1.01 0.00 0.00 31.44 29.29 2bbn n GLU 120 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2bbn h VAL 121 N 0.00 0.27 -0.30 2.62 2.07 -1.79 -1.27 116.25 117.86 2bbn h VAL 121 Ca 0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2bbn h VAL 121 Cb 0.00 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 2bbn h VAL 121 CO 0.00 0.02 -0.30 0.44 0.02 0.00 0.00 177.57 177.75 2bbn h ASP 122 N 0.10 -1.04 -0.41 0.57 3.32 -1.06 0.99 116.42 118.90 2bbn h ASP 122 Ca 0.46 0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.78 2bbn h ASP 122 Cb 0.86 0.44 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 2bbn h ASP 122 CO -0.72 -0.19 0.41 -0.08 -1.72 0.00 0.00 179.24 176.94 2bbn h GLU 123 N -0.15 0.00 0.18 3.56 4.57 -0.74 -0.13 114.58 121.86 2bbn h GLU 123 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2bbn h GLU 123 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2bbn h GLU 123 CO -0.37 0.00 -0.09 1.98 -1.18 0.00 0.00 179.01 179.36 2bbn h MET 124 N 0.00 -0.23 -0.13 1.92 4.05 0.16 -2.76 114.93 117.94 2bbn h MET 124 Ca 0.19 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2bbn h MET 124 Cb 1.01 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 2bbn h MET 124 CO -0.00 0.18 -0.02 0.82 0.23 0.00 0.00 176.91 178.12 2bbn h ILE 125 N -0.79 1.10 0.22 1.77 2.04 0.76 -2.59 117.51 120.02 2bbn h ILE 125 Ca -0.02 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2bbn h ILE 125 Cb 0.52 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2bbn h ILE 125 CO 0.04 0.13 -0.11 0.03 0.00 0.00 0.00 178.15 178.24 2bbn h ARG 126 N 0.18 -0.29 -0.48 2.37 -0.00 -1.04 0.14 114.38 115.25 2bbn h ARG 126 Ca 0.04 0.02 0.14 0.00 -0.50 0.00 0.00 59.98 59.68 2bbn h ARG 126 Cb 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 2bbn h ARG 126 CO 0.01 -0.18 0.37 1.49 0.00 0.00 0.00 179.97 181.65 2bbn h GLU 127 N -0.31 0.00 0.00 0.04 4.81 -1.16 0.33 114.58 118.28 2bbn h GLU 127 Ca -0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2bbn h GLU 127 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2bbn h GLU 127 CO 0.05 0.00 -0.45 0.00 -0.73 0.00 0.00 179.01 177.88 2bbn h ALA 128 N 1.71 0.79 -0.44 2.92 0.00 -1.12 -3.37 119.26 119.75 2bbn h ALA 128 Ca 0.23 -0.20 -0.73 0.00 0.00 0.00 0.00 54.91 54.21 2bbn h ALA 128 Cb 0.97 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2bbn h ALA 128 CO -0.00 0.25 2.68 -3.47 0.00 0.00 0.00 179.25 178.71 2bbn n ASP 129 N -3.03 5.25 0.24 0.00 -0.08 0.12 -4.67 116.55 114.37 2bbn n ASP 129 Ca 0.01 -2.96 0.09 0.00 -1.51 0.00 0.00 54.79 50.43 2bbn n ASP 129 Cb 0.62 -1.55 0.60 0.00 2.34 0.00 0.00 41.12 43.13 2bbn n ASP 129 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2bbn h ILE 130 N 3.66 0.86 0.00 5.18 6.09 -1.74 -3.35 117.51 128.20 2bbn h ILE 130 Ca 0.54 -0.66 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 2bbn h ILE 130 Cb 0.57 1.38 0.00 0.00 0.47 0.00 0.00 36.82 39.24 2bbn h ILE 130 CO 1.73 0.17 0.00 -0.90 -3.07 0.00 0.00 178.15 176.08 2bbn n ASP 131 N -3.94 0.00 0.00 2.19 5.68 -1.26 -5.06 116.55 114.16 2bbn n ASP 131 Ca -0.02 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2bbn n ASP 131 Cb 0.26 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 132 N 2.46 0.00 0.51 6.12 0.00 -1.26 -5.03 105.19 107.99 2bbn n GLY 132 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2bbn n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bbn n ASP 133 N 0.00 1.70 0.00 1.61 9.92 -1.26 -4.96 116.55 123.55 2bbn n ASP 133 Ca 0.00 -1.44 0.00 0.00 -0.53 0.00 0.00 54.79 52.82 2bbn n ASP 133 Cb 0.00 0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 134 N 1.27 2.38 3.67 0.44 0.00 -1.26 -4.95 105.19 106.75 2bbn n GLY 134 Ca 0.15 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2bbn n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bbn n GLN 135 N 0.00 0.72 -3.56 1.61 3.00 -1.26 -5.01 117.38 112.88 2bbn n GLN 135 Ca 0.00 -3.41 -0.41 0.00 -0.01 0.00 0.00 57.00 53.17 2bbn n GLN 135 Cb 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 30.24 30.63 2bbn n GLN 135 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2bbn s VAL 136 N -2.69 4.88 0.72 5.09 1.01 -1.22 -4.93 120.40 123.26 2bbn s VAL 136 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2bbn s VAL 136 Cb -0.02 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.86 2bbn s VAL 136 CO 0.15 -0.15 0.99 0.21 0.00 0.00 0.00 175.10 176.30 2bbn s ASN 137 N 1.63 4.35 0.15 3.32 3.04 -1.26 -2.18 114.94 123.99 2bbn s ASN 137 Ca 0.04 -0.46 -0.17 0.00 0.04 0.00 0.00 52.86 52.32 2bbn s ASN 137 Cb -0.18 0.10 0.02 0.00 -1.54 0.00 0.00 41.25 39.65 2bbn s ASN 137 CO 0.08 -1.87 1.77 0.22 -3.04 0.00 0.00 177.10 174.26 2bbn h TYR 138 N -0.50 0.27 -0.15 0.43 5.03 -1.99 -2.82 116.97 117.25 2bbn h TYR 138 Ca -0.35 0.01 0.01 0.00 2.58 0.00 0.00 58.73 60.99 2bbn h TYR 138 Cb 1.27 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.45 2bbn h TYR 138 CO -0.18 0.14 -0.11 0.93 -1.32 0.00 0.00 178.16 177.62 2bbn h GLU 139 N 0.31 -0.03 -0.14 1.82 5.08 -1.96 0.69 114.58 120.35 2bbn h GLU 139 Ca 0.14 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2bbn h GLU 139 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2bbn h GLU 139 CO -0.11 -0.02 0.31 0.93 -1.00 0.00 0.00 179.01 179.11 2bbn h GLU 140 N -0.03 0.00 0.00 2.33 5.08 -1.94 0.39 114.58 120.40 2bbn h GLU 140 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2bbn h GLU 140 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2bbn h GLU 140 CO -0.16 0.00 -0.37 0.35 -1.00 0.00 0.00 179.01 177.84 2bbn h PHE 141 N 0.00 0.00 0.02 4.33 3.57 0.60 -2.46 116.94 123.00 2bbn h PHE 141 Ca 0.07 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 2bbn h PHE 141 Cb 0.68 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2bbn h PHE 141 CO 0.00 0.37 -1.30 0.28 -2.23 0.00 0.00 178.31 175.43 2bbn h VAL 142 N 0.00 0.93 -0.77 1.41 2.07 0.11 -2.78 116.25 117.22 2bbn h VAL 142 Ca -0.00 -2.21 0.12 0.00 0.82 0.00 0.00 66.70 65.43 2bbn h VAL 142 Cb 1.04 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 2bbn h VAL 142 CO 0.05 0.41 0.51 0.74 0.02 0.00 0.00 177.57 179.29 2bbn h THR 143 N -0.84 0.86 0.25 2.57 2.02 -1.44 -2.61 112.91 113.72 2bbn h THR 143 Ca -0.34 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2bbn h THR 143 Cb 1.40 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2bbn h THR 143 CO -0.15 0.10 -0.12 -0.03 0.37 0.00 0.00 175.52 175.69 2bbn h MET 144 N 0.56 -0.33 -3.99 6.66 -1.53 -1.57 -3.39 114.93 111.34 2bbn h MET 144 Ca 0.37 0.02 -0.78 0.00 -3.44 0.00 0.00 59.70 55.88 2bbn h MET 144 Cb 0.66 0.07 -0.25 0.00 -0.55 0.00 0.00 31.60 31.53 2bbn h MET 144 CO -0.13 -0.07 0.28 -1.64 0.14 0.00 0.00 176.91 175.48 2bbn s MET 145 N -3.07 3.69 -0.41 0.39 -1.94 -0.99 -4.90 119.30 112.06 2bbn s MET 145 Ca -0.09 -2.46 0.04 0.00 -1.71 0.00 0.00 55.69 51.47 2bbn s MET 145 Cb 0.00 -4.53 0.17 0.00 2.01 0.00 0.00 34.83 32.49 2bbn s MET 145 CO 0.30 -1.36 0.35 -0.08 -0.01 0.00 0.00 175.02 174.21 2bbn s THR 146 N 0.38 0.30 -0.45 2.05 -1.32 -1.17 -4.65 115.64 110.77 2bbn s THR 146 Ca 0.22 -2.61 0.07 0.00 -1.21 0.00 0.00 61.69 58.17 2bbn s THR 146 Cb -0.09 -1.22 0.28 0.00 -1.51 0.00 0.00 72.50 69.96 2bbn s THR 146 CO -0.09 -1.21 0.89 -1.20 -2.21 0.00 0.00 174.62 170.80 2bbn n SER 147 N 2.85 -1.78 0.00 8.08 7.64 -1.26 -5.10 113.62 124.04 2bbn n SER 147 Ca 0.30 -3.31 0.09 0.00 1.01 0.00 0.00 58.87 56.95 2bbn n SER 147 Cb 0.48 1.19 0.53 0.00 -1.01 0.00 0.00 64.21 65.40 2bbn n SER 147 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32