#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 -0.22 0.00 0.00 9.92 -1.26 -4.90 116.55 120.09 2bbn n ASP 2 Ca 0.00 -2.91 0.02 0.00 -0.53 0.00 0.00 54.79 51.37 2bbn n ASP 2 Cb 0.00 0.28 0.12 0.00 -0.64 0.00 0.00 41.12 40.88 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bbn n GLN 3 N -0.03 0.54 -2.07 -1.24 0.00 -1.26 -4.83 117.38 108.50 2bbn n GLN 3 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 57.00 57.06 2bbn n GLN 3 Cb 0.76 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.89 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2bbn n LEU 4 N -0.62 -4.51 0.00 2.61 7.94 -1.26 -5.08 117.00 116.08 2bbn n LEU 4 Ca 0.03 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 2bbn n LEU 4 Cb 0.01 -2.01 0.00 0.00 0.53 0.00 0.00 43.42 41.95 2bbn n LEU 4 CO 0.02 -1.01 0.00 0.35 -1.11 0.00 0.00 177.39 175.64 2bbn n THR 5 N -0.39 0.00 -0.33 1.96 -2.24 -1.26 -4.69 114.28 107.33 2bbn n THR 5 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2bbn n THR 5 Cb 0.19 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.00 -0.05 -0.78 1.02 -1.26 -4.70 120.64 114.87 2bbn n GLU 6 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2bbn n GLU 6 Cb 0.00 -4.10 -0.08 0.00 -0.02 0.00 0.00 31.44 27.24 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 7 N 0.00 0.37 0.29 3.49 5.08 -1.99 -1.56 114.58 120.25 2bbn h GLU 7 Ca 0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2bbn h GLU 7 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2bbn h GLU 7 CO 0.00 0.82 -0.14 1.96 -1.00 0.00 0.00 179.01 180.65 2bbn h GLN 8 N -0.05 -0.38 -1.01 2.33 4.20 -1.97 -2.66 115.11 115.56 2bbn h GLN 8 Ca 0.01 0.03 0.25 0.00 0.06 0.00 0.00 58.65 58.99 2bbn h GLN 8 Cb 0.81 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.58 2bbn h GLN 8 CO 0.05 -0.05 0.65 0.82 -0.67 0.00 0.00 178.83 179.63 2bbn h ILE 9 N -0.77 0.57 -0.23 2.54 5.03 -1.95 0.16 117.51 122.86 2bbn h ILE 9 Ca -0.04 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 2bbn h ILE 9 Cb 0.51 0.09 -0.01 0.00 -3.03 0.00 0.00 36.82 34.38 2bbn h ILE 9 CO 0.07 0.08 0.15 0.00 -0.68 0.00 0.00 178.15 177.76 2bbn h ALA 10 N 1.62 0.29 -0.38 1.87 0.00 -1.05 0.18 119.26 121.79 2bbn h ALA 10 Ca 0.57 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.54 2bbn h ALA 10 Cb 1.39 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 2bbn h ALA 10 CO -0.29 -0.23 -0.18 0.93 0.00 0.00 0.00 179.25 179.48 2bbn h GLU 11 N 0.31 -0.11 -0.30 0.00 5.08 -0.33 0.29 114.58 119.52 2bbn h GLU 11 Ca 0.08 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2bbn h GLU 11 Cb -0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2bbn h GLU 11 CO -0.02 -0.07 0.01 0.74 -1.00 0.00 0.00 179.01 178.67 2bbn h PHE 12 N -0.11 0.57 -0.85 4.33 0.04 -1.25 -2.50 116.94 117.16 2bbn h PHE 12 Ca 0.19 -0.09 0.14 0.00 2.80 0.00 0.00 57.97 61.00 2bbn h PHE 12 Cb 0.40 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 2bbn h PHE 12 CO -0.41 0.65 0.55 -0.22 -0.60 0.00 0.00 178.31 178.28 2bbn h LYS 13 N 0.32 0.61 -0.63 1.51 3.64 0.30 0.10 116.57 122.42 2bbn h LYS 13 Ca 0.09 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2bbn h LYS 13 Cb 0.42 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2bbn h LYS 13 CO 0.01 0.40 0.12 0.93 -2.27 0.00 0.00 179.45 178.65 2bbn h GLU 14 N 0.63 1.03 -0.77 1.90 5.08 -0.04 -2.61 114.58 119.80 2bbn h GLU 14 Ca 0.42 -0.27 0.14 0.00 -1.00 0.00 0.00 59.36 58.66 2bbn h GLU 14 Cb 0.73 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 2bbn h GLU 14 CO -0.18 0.95 0.31 0.00 -1.00 0.00 0.00 179.01 179.10 2bbn h ALA 15 N 1.04 1.09 0.56 3.43 0.00 -0.39 -0.49 119.26 124.50 2bbn h ALA 15 Ca 0.19 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2bbn h ALA 15 Cb 0.41 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2bbn h ALA 15 CO 0.01 -0.21 -0.27 0.74 0.00 0.00 0.00 179.25 179.52 2bbn h PHE 16 N 0.45 -0.70 -0.12 0.00 -1.00 -1.20 0.41 116.94 114.78 2bbn h PHE 16 Ca 0.42 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.22 2bbn h PHE 16 Cb 0.64 0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.43 2bbn h PHE 16 CO -0.16 -0.41 0.40 0.77 -1.61 0.00 0.00 178.31 177.30 2bbn h SER 17 N -0.82 0.00 0.13 2.17 0.02 -1.05 2.26 113.55 116.26 2bbn h SER 17 Ca -0.08 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.52 2bbn h SER 17 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2bbn h SER 17 CO 0.13 0.00 -1.87 0.25 -1.14 0.00 0.00 176.83 174.19 2bbn h LEU 18 N 0.00 0.43 0.00 5.07 5.85 -0.09 -3.42 115.31 123.14 2bbn h LEU 18 Ca 0.06 -0.92 -0.03 0.00 0.84 0.00 0.00 57.88 57.83 2bbn h LEU 18 Cb 0.85 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2bbn h LEU 18 CO -0.00 1.81 -0.81 0.33 -0.34 0.00 0.00 178.44 179.43 2bbn n PHE 19 N -3.59 0.57 -1.51 1.25 7.35 0.13 -4.81 117.46 116.85 2bbn n PHE 19 Ca -0.30 0.25 -0.43 0.00 -0.76 0.00 0.00 57.45 56.21 2bbn n PHE 19 Cb 1.02 -0.71 -0.06 0.00 0.35 0.00 0.00 39.48 40.08 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 -4.54 2.07 -0.25 -2.13 -0.08 0.74 -4.72 116.55 107.64 2bbn n ASP 20 Ca -0.13 0.01 0.05 0.00 -1.51 0.00 0.00 54.79 53.21 2bbn n ASP 20 Cb 0.41 -1.37 -0.00 0.00 2.34 0.00 0.00 41.12 42.49 2bbn n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2bbn n LYS 21 N 8.63 2.02 0.02 -0.67 5.02 -1.26 -4.52 118.16 127.40 2bbn n LYS 21 Ca 0.42 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2bbn n LYS 21 Cb 0.34 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2bbn n ASP 22 N -0.24 -0.15 0.30 4.39 5.75 -1.26 -4.83 116.55 120.51 2bbn n ASP 22 Ca 0.05 0.08 0.18 0.00 -0.01 0.00 0.00 54.79 55.09 2bbn n ASP 22 Cb 0.23 0.26 0.96 0.00 -1.03 0.00 0.00 41.12 41.54 2bbn n ASP 22 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2bbn h GLY 23 N 0.00 0.00 -6.97 6.12 0.00 -1.88 -3.46 103.07 96.88 2bbn h GLY 23 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2bbn h GLY 23 CO 0.00 0.00 -1.01 1.22 0.00 0.00 0.00 176.54 176.75 2bbn n ASP 24 N -3.33 -4.08 0.00 0.19 9.92 -1.26 -3.92 116.55 114.07 2bbn n ASP 24 Ca -0.02 -1.27 0.00 0.00 -0.53 0.00 0.00 54.79 52.97 2bbn n ASP 24 Cb 0.16 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.08 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 25 N -2.06 0.47 3.32 0.44 0.00 -1.26 -5.12 105.19 100.98 2bbn n GLY 25 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 0.02 -0.20 2.61 -4.23 -1.25 -3.79 115.64 108.79 2bbn s THR 26 Ca 0.00 -0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.22 2bbn s THR 26 Cb 0.00 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 2bbn s THR 26 CO 0.00 -0.07 0.40 -0.63 -0.54 0.00 0.00 174.62 173.77 2bbn s ILE 27 N -0.35 5.20 0.35 2.99 1.01 -1.17 -4.37 121.20 124.86 2bbn s ILE 27 Ca -0.05 0.71 0.05 0.00 0.00 0.00 0.00 60.65 61.36 2bbn s ILE 27 Cb -0.03 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2bbn s ILE 27 CO 0.03 0.26 0.19 0.42 0.00 0.00 0.00 174.94 175.83 2bbn s THR 28 N 1.27 0.31 0.51 2.92 -4.23 -1.26 -3.40 115.64 111.75 2bbn s THR 28 Ca 0.19 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.00 2bbn s THR 28 Cb -0.15 -2.44 0.48 0.00 1.34 0.00 0.00 72.50 71.73 2bbn s THR 28 CO 0.08 0.00 1.85 0.71 -0.54 0.00 0.00 174.62 176.72 2bbn h THR 29 N 2.04 0.52 0.00 3.99 1.35 -1.96 0.43 112.91 119.28 2bbn h THR 29 Ca -0.31 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2bbn h THR 29 Cb 1.25 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2bbn h THR 29 CO 0.48 0.02 0.00 0.29 -0.25 0.00 0.00 175.52 176.06 2bbn n LYS 30 N -4.32 0.00 0.19 4.72 4.76 -1.26 -0.01 118.16 122.24 2bbn n LYS 30 Ca 0.21 0.40 0.06 0.00 -2.87 0.00 0.00 58.31 56.12 2bbn n LYS 30 Cb 1.00 -1.29 0.55 0.00 -1.84 0.00 0.00 35.03 33.45 2bbn n LYS 30 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2bbn h GLU 31 N 0.00 0.12 0.54 1.97 5.08 -1.87 -1.68 114.58 118.74 2bbn h GLU 31 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2bbn h GLU 31 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2bbn h GLU 31 CO 0.00 0.13 -0.26 1.25 -1.00 0.00 0.00 179.01 179.13 2bbn h LEU 32 N 0.12 -0.62 0.23 1.33 5.85 -0.19 -2.45 115.31 119.59 2bbn h LEU 32 Ca 0.03 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2bbn h LEU 32 Cb 0.09 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2bbn h LEU 32 CO 0.00 -0.22 -0.44 1.23 -0.34 0.00 0.00 178.44 178.67 2bbn h GLY 33 N -1.13 -0.96 -0.41 3.75 0.00 -0.22 0.52 103.07 104.61 2bbn h GLY 33 Ca -0.07 0.53 0.13 0.00 0.00 0.00 0.00 47.33 47.91 2bbn h GLY 33 CO 0.12 -0.29 -0.24 -0.84 0.00 0.00 0.00 176.54 175.29 2bbn h THR 34 N -0.75 0.25 0.10 4.70 2.02 -1.41 0.74 112.91 118.56 2bbn h THR 34 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2bbn h THR 34 Cb 0.73 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2bbn h THR 34 CO -0.19 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.23 2bbn h VAL 35 N -0.06 0.00 -0.72 3.16 2.07 -0.92 -1.80 116.25 117.98 2bbn h VAL 35 Ca 0.30 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.84 2bbn h VAL 35 Cb 0.53 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 2bbn h VAL 35 CO -0.71 0.00 -0.38 0.24 0.02 0.00 0.00 177.57 176.74 2bbn h MET 36 N -0.23 -0.12 -0.77 1.57 2.86 0.14 1.50 114.93 119.88 2bbn h MET 36 Ca -0.01 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 2bbn h MET 36 Cb 0.10 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2bbn h MET 36 CO 0.02 -0.08 0.53 -0.09 1.06 0.00 0.00 176.91 178.35 2bbn h ARG 37 N -0.13 0.24 0.00 1.72 2.43 0.80 0.46 114.38 119.92 2bbn h ARG 37 Ca 0.25 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 2bbn h ARG 37 Cb 0.56 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2bbn h ARG 37 CO -0.78 0.16 -0.74 1.03 -1.51 0.00 0.00 179.97 178.14 2bbn h SER 38 N 0.25 0.00 -0.08 -3.80 0.87 0.28 -3.27 113.55 107.80 2bbn h SER 38 Ca 0.38 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.81 2bbn h SER 38 Cb 1.12 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.08 2bbn h SER 38 CO -0.09 0.74 -0.45 0.25 -0.53 0.00 0.00 176.83 176.75 2bbn h LEU 39 N 0.00 0.53 0.00 2.23 5.85 0.40 -3.47 115.31 120.84 2bbn h LEU 39 Ca -0.01 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2bbn h LEU 39 Cb 1.45 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2bbn h LEU 39 CO 0.10 1.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.91 2bbn n GLY 40 N 0.75 -0.04 3.51 3.75 0.00 0.22 -5.09 105.19 108.28 2bbn n GLY 40 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2bbn n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bbn s GLN 41 N 0.00 0.31 -0.37 1.61 0.74 -1.07 -5.00 119.66 115.88 2bbn s GLN 41 Ca 0.00 0.67 -0.01 0.00 0.05 0.00 0.00 55.36 56.07 2bbn s GLN 41 Cb 0.00 0.27 0.26 0.00 1.10 0.00 0.00 33.01 34.64 2bbn s GLN 41 CO 0.00 -0.09 1.13 0.27 -0.55 0.00 0.00 175.29 176.05 2bbn n ASN 42 N 4.39 -1.75 -3.21 6.67 6.94 -1.26 -2.54 115.26 124.50 2bbn n ASN 42 Ca -0.13 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 2bbn n ASN 42 Cb 0.55 1.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.97 2bbn n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2bbn n PRO 43 N 1.69 0.13 -1.38 -0.53 -0.05 -1.26 -4.91 135.00 128.68 2bbn n PRO 43 Ca 0.05 0.00 -0.38 0.00 -0.05 0.00 0.00 63.50 63.12 2bbn n PRO 43 Cb 0.68 0.00 0.04 0.00 -0.05 0.00 0.00 33.50 34.17 2bbn n PRO 43 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2bbn n THR 44 N -1.40 1.78 0.03 0.52 -2.24 -1.26 -4.91 114.28 106.80 2bbn n THR 44 Ca 0.00 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 2bbn n THR 44 Cb 0.00 -0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 67.57 2bbn n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bbn h GLU 45 N 0.06 -0.14 -1.36 -0.78 5.08 -2.01 -3.16 114.58 112.27 2bbn h GLU 45 Ca -0.45 0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.33 2bbn h GLU 45 Cb 1.40 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.58 2bbn h GLU 45 CO 0.45 0.36 0.92 0.00 -1.00 0.00 0.00 179.01 179.74 2bbn h ALA 46 N -0.07 2.92 -0.49 3.43 0.00 -2.00 0.95 119.26 124.00 2bbn h ALA 46 Ca -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2bbn h ALA 46 Cb 0.56 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2bbn h ALA 46 CO 0.02 -1.44 -0.02 1.49 0.00 0.00 0.00 179.25 179.30 2bbn h GLU 47 N 0.11 0.83 -0.20 0.00 4.57 -1.91 -2.57 114.58 115.41 2bbn h GLU 47 Ca 0.75 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.64 2bbn h GLU 47 Cb 2.53 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 31.03 2bbn h GLU 47 CO -0.24 0.85 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.29 2bbn h LEU 48 N 0.77 0.41 -1.16 1.64 4.07 0.88 -2.56 115.31 119.36 2bbn h LEU 48 Ca 0.14 -0.39 0.10 0.00 0.08 0.00 0.00 57.88 57.81 2bbn h LEU 48 Cb 0.50 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 2bbn h LEU 48 CO 0.02 0.70 0.59 1.56 -1.08 0.00 0.00 178.44 180.24 2bbn h GLN 49 N 0.12 0.90 -0.18 1.13 4.20 -1.33 -1.60 115.11 118.35 2bbn h GLN 49 Ca 0.05 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2bbn h GLN 49 Cb 0.53 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2bbn h GLN 49 CO 0.02 0.59 0.04 0.22 -0.67 0.00 0.00 178.83 179.04 2bbn h ASP 50 N 0.92 0.27 0.14 1.46 3.58 -1.31 -2.09 116.42 119.40 2bbn h ASP 50 Ca 0.42 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2bbn h ASP 50 Cb 0.39 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 2bbn h ASP 50 CO -0.18 0.44 -0.01 0.24 -2.88 0.00 0.00 179.24 176.84 2bbn h MET 51 N 0.10 0.00 0.13 0.28 2.86 -0.93 0.20 114.93 117.58 2bbn h MET 51 Ca 0.06 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.41 2bbn h MET 51 Cb 0.27 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.95 2bbn h MET 51 CO 0.00 0.01 -1.24 0.82 1.06 0.00 0.00 176.91 177.56 2bbn h ILE 52 N 0.00 1.39 0.11 -1.22 2.04 -0.66 -3.29 117.51 115.88 2bbn h ILE 52 Ca -0.00 -2.73 -0.30 0.00 1.00 0.00 0.00 64.86 62.83 2bbn h ILE 52 Cb 0.08 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2bbn h ILE 52 CO 0.00 0.81 -1.48 0.78 0.00 0.00 0.00 178.15 178.26 2bbn h ASN 53 N 0.17 0.37 -0.88 1.72 4.21 -0.85 -1.76 115.58 118.55 2bbn h ASN 53 Ca -0.16 -0.49 0.19 0.00 1.21 0.00 0.00 56.30 57.04 2bbn h ASN 53 Cb 1.93 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 38.94 2bbn h ASN 53 CO 0.22 1.41 0.58 -0.08 -1.29 0.00 0.00 177.43 178.27 2bbn h GLU 54 N 0.06 0.42 0.00 0.81 4.81 -0.75 -2.69 114.58 117.24 2bbn h GLU 54 Ca -0.22 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.64 2bbn h GLU 54 Cb 2.00 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 31.22 2bbn h GLU 54 CO 0.16 0.28 -2.29 1.55 -0.73 0.00 0.00 179.01 177.98 2bbn n VAL 55 N -4.51 1.29 -1.12 0.32 3.14 -1.24 -4.61 118.33 111.60 2bbn n VAL 55 Ca 0.18 -0.70 -0.33 0.00 -2.96 0.00 0.00 64.34 60.53 2bbn n VAL 55 Cb 0.66 -0.75 -0.02 0.00 -1.06 0.00 0.00 33.84 32.66 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 -2.83 6.11 0.10 6.55 -0.08 -0.66 -4.59 116.55 121.14 2bbn n ASP 56 Ca -0.33 -2.51 0.16 0.00 -1.51 0.00 0.00 54.79 50.59 2bbn n ASP 56 Cb 1.05 -1.35 0.69 0.00 2.34 0.00 0.00 41.12 43.86 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 5.91 2.27 0.00 -1.67 0.00 -1.82 0.30 119.26 124.25 2bbn h ALA 57 Ca 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 2bbn h ALA 57 Cb 0.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2bbn h ALA 57 CO 1.68 -0.41 -0.04 0.22 0.00 0.00 0.00 179.25 180.70 2bbn h ASP 58 N 0.00 0.00 0.00 0.00 3.58 -1.93 -3.45 116.42 114.62 2bbn h ASP 58 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2bbn h ASP 58 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2bbn h ASP 58 CO -0.00 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2bbn n GLY 59 N -0.89 1.52 0.04 -0.78 0.00 0.10 -4.87 105.19 100.31 2bbn n GLY 59 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.07 0.00 1.61 4.13 -1.26 -4.67 115.26 115.14 2bbn n ASN 60 Ca 0.00 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.60 2bbn n ASN 60 Cb 0.00 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 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 -1.28 0.98 3.35 7.41 0.00 -1.26 -4.88 105.19 109.51 2bbn n GLY 61 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.01 0.06 -0.36 2.61 -4.23 -1.26 -4.80 115.64 105.65 2bbn s THR 62 Ca 0.00 -1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 2bbn s THR 62 Cb 0.00 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2bbn s THR 62 CO 0.00 -0.28 0.55 -0.63 -0.54 0.00 0.00 174.62 173.72 2bbn s ILE 63 N -3.96 4.97 0.00 2.99 1.01 -1.22 -4.91 121.20 120.08 2bbn s ILE 63 Ca 0.17 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2bbn s ILE 63 Cb 0.03 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2bbn s ILE 63 CO -0.00 -0.29 0.00 -0.67 0.00 0.00 0.00 174.94 173.98 2bbn n ASP 64 N 5.86 0.00 -0.08 3.58 -0.08 -1.26 -3.02 116.55 121.56 2bbn n ASP 64 Ca -0.04 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.15 2bbn n ASP 64 Cb 0.49 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.90 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 0.00 -0.80 -0.67 0.04 -1.97 -3.27 116.94 110.27 2bbn h PHE 65 Ca 0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 2bbn h PHE 65 Cb 0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 2bbn h PHE 65 CO 0.00 0.49 0.52 -1.35 -0.60 0.00 0.00 178.31 177.37 2bbn h PRO 66 N -1.00 0.76 0.83 1.51 0.10 -1.96 -2.64 132.00 129.62 2bbn h PRO 66 Ca -0.11 -0.05 -0.04 0.00 0.10 0.00 0.00 66.00 65.91 2bbn h PRO 66 Cb 0.72 -0.17 0.01 0.00 0.10 0.00 0.00 31.00 31.66 2bbn h PRO 66 CO -0.06 0.50 -0.40 0.93 0.10 0.00 0.00 178.00 179.07 2bbn h GLU 67 N 0.79 -1.08 -0.76 1.05 5.08 -1.95 -0.74 114.58 116.96 2bbn h GLU 67 Ca 0.36 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.93 2bbn h GLU 67 Cb 0.37 0.25 -0.14 0.00 0.50 0.00 0.00 28.75 29.72 2bbn h GLU 67 CO -0.13 -0.71 -0.29 0.35 -1.00 0.00 0.00 179.01 177.22 2bbn h PHE 68 N -1.17 -0.76 -0.61 4.33 3.04 -1.53 0.78 116.94 121.02 2bbn h PHE 68 Ca -0.11 0.08 0.02 0.00 3.98 0.00 0.00 57.97 61.93 2bbn h PHE 68 Cb 0.87 0.45 -0.03 0.00 2.56 0.00 0.00 35.95 39.79 2bbn h PHE 68 CO -0.01 -0.37 0.41 -0.07 -2.02 0.00 0.00 178.31 176.24 2bbn h LEU 69 N -0.06 0.67 -0.01 0.59 3.38 -1.34 -2.35 115.31 116.20 2bbn h LEU 69 Ca 0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2bbn h LEU 69 Cb 0.58 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2bbn h LEU 69 CO -0.81 0.48 -0.00 0.74 0.09 0.00 0.00 178.44 178.94 2bbn h THR 70 N 0.79 1.31 -0.38 0.22 2.02 0.19 -0.41 112.91 116.65 2bbn h THR 70 Ca 0.23 -0.93 0.11 0.00 0.77 0.00 0.00 66.41 66.60 2bbn h THR 70 Cb -0.02 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2bbn h THR 70 CO -0.06 0.24 0.37 -0.03 0.37 0.00 0.00 175.52 176.42 2bbn h MET 71 N -0.38 0.00 0.13 6.66 1.85 -0.26 -0.95 114.93 121.97 2bbn h MET 71 Ca 0.00 0.00 -0.25 0.00 -0.61 0.00 0.00 59.70 58.84 2bbn h MET 71 Cb 0.40 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.43 2bbn h MET 71 CO 0.00 0.00 -1.23 1.98 -0.40 0.00 0.00 176.91 177.26 2bbn h MET 72 N 0.00 0.27 0.00 0.39 -1.53 -1.08 -3.28 114.93 109.69 2bbn h MET 72 Ca 0.18 -0.45 0.00 0.00 -3.44 0.00 0.00 59.70 55.99 2bbn h MET 72 Cb 0.92 0.17 0.00 0.00 -0.55 0.00 0.00 31.60 32.14 2bbn h MET 72 CO -0.00 1.22 0.00 0.00 0.14 0.00 0.00 176.91 178.27 2bbn n ALA 73 N -2.87 1.41 -2.75 0.39 0.00 -0.19 -3.33 120.51 113.16 2bbn n ALA 73 Ca -0.21 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 2bbn n ALA 73 Cb 0.88 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.76 5.06 -2.65 0.00 0.63 -0.48 -4.99 116.66 112.47 2bbn n ARG 74 Ca 0.02 -4.66 -0.43 0.00 -0.92 0.00 0.00 57.85 51.86 2bbn n ARG 74 Cb 0.12 -2.46 -0.02 0.00 0.45 0.00 0.00 32.46 30.55 2bbn n ARG 74 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2bbn s LYS 75 N -3.94 3.85 0.30 -0.14 1.02 -1.21 -4.98 119.74 114.64 2bbn s LYS 75 Ca 0.38 0.72 -0.28 0.00 0.02 0.00 0.00 55.97 56.82 2bbn s LYS 75 Cb 0.17 -3.84 -0.14 0.00 -0.52 0.00 0.00 37.83 33.50 2bbn s LYS 75 CO -0.08 -1.15 1.01 -0.12 -0.92 0.00 0.00 175.35 174.09 2bbn n MET 76 N 7.33 1.36 -2.75 1.68 1.56 -1.26 -4.84 117.12 120.19 2bbn n MET 76 Ca 0.11 0.48 -0.43 0.00 -0.27 0.00 0.00 57.70 57.59 2bbn n MET 76 Cb 0.48 -1.86 -0.03 0.00 2.15 0.00 0.00 33.22 33.96 2bbn n MET 76 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2bbn s LYS 77 N -1.59 3.57 -0.21 2.12 -2.85 -1.26 -4.92 119.74 114.62 2bbn s LYS 77 Ca 0.59 -1.42 -0.04 0.00 -1.00 0.00 0.00 55.97 54.10 2bbn s LYS 77 Cb -0.69 -5.08 0.10 0.00 -2.06 0.00 0.00 37.83 30.11 2bbn s LYS 77 CO 0.60 -1.97 0.31 0.34 0.10 0.00 0.00 175.35 174.72 2bbn s ASP 78 N 4.23 0.61 0.95 0.03 2.15 -1.26 -5.14 116.67 118.24 2bbn s ASP 78 Ca 0.38 0.20 -0.11 0.00 0.43 0.00 0.00 52.55 53.45 2bbn s ASP 78 Cb -0.03 0.81 0.11 0.00 -0.30 0.00 0.00 42.92 43.51 2bbn s ASP 78 CO -0.09 -0.29 0.85 0.35 -0.17 0.00 0.00 175.17 175.82 2bbn n THR 79 N 5.35 0.00 -2.82 1.71 -2.24 -1.26 -4.34 114.28 110.67 2bbn n THR 79 Ca -0.05 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 2bbn n THR 79 Cb 0.50 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 2bbn n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bbn n ASP 80 N -3.17 -4.49 -0.54 3.42 8.00 -1.26 -4.98 116.55 113.53 2bbn n ASP 80 Ca 0.09 1.15 -0.02 0.00 0.71 0.00 0.00 54.79 56.73 2bbn n ASP 80 Cb 0.53 -3.86 -0.02 0.00 -0.02 0.00 0.00 41.12 37.75 2bbn n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bbn n SER 81 N 1.69 -0.28 -1.01 -2.24 7.64 -1.26 -4.96 113.62 113.20 2bbn n SER 81 Ca -0.18 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2bbn n SER 81 Cb 0.35 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2bbn n SER 81 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2bbn n GLU 82 N 0.00 0.76 -0.05 1.43 0.28 -1.26 -3.96 120.64 117.84 2bbn n GLU 82 Ca -0.08 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.88 2bbn n GLU 82 Cb 0.37 -1.12 0.18 0.00 1.43 0.00 0.00 31.44 32.30 2bbn n GLU 82 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2bbn h GLU 83 N 0.49 0.65 0.00 3.44 4.81 -1.99 -2.15 114.58 119.83 2bbn h GLU 83 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2bbn h GLU 83 Cb 0.76 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2bbn h GLU 83 CO 0.00 0.75 0.00 0.39 -0.73 0.00 0.00 179.01 179.42 2bbn n GLU 84 N -4.18 0.00 -0.28 1.92 1.02 -1.25 -0.39 120.64 117.47 2bbn n GLU 84 Ca 0.01 0.44 0.03 0.00 -0.02 0.00 0.00 57.16 57.62 2bbn n GLU 84 Cb 0.35 -1.43 0.11 0.00 -0.02 0.00 0.00 31.44 30.45 2bbn n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bbn h ILE 85 N 0.00 0.21 0.19 -3.67 5.03 -1.89 0.25 117.51 117.63 2bbn h ILE 85 Ca 0.00 -0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.75 2bbn h ILE 85 Cb 0.00 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 33.94 2bbn h ILE 85 CO 0.00 0.00 -0.49 0.03 -0.68 0.00 0.00 178.15 177.02 2bbn h ARG 86 N 0.01 -0.74 -0.71 2.37 3.08 -1.31 0.91 114.38 118.00 2bbn h ARG 86 Ca 0.40 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.64 2bbn h ARG 86 Cb 0.63 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.71 2bbn h ARG 86 CO -0.81 -0.49 -0.13 1.49 -1.07 0.00 0.00 179.97 178.96 2bbn h GLU 87 N -0.76 0.02 -0.15 0.04 4.57 0.13 0.32 114.58 118.74 2bbn h GLU 87 Ca -0.00 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2bbn h GLU 87 Cb 0.75 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 2bbn h GLU 87 CO -0.23 0.02 -0.11 0.00 -1.18 0.00 0.00 179.01 177.50 2bbn h ALA 88 N 1.70 0.02 -0.99 2.92 0.00 -0.31 0.44 119.26 123.03 2bbn h ALA 88 Ca 0.35 0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.58 2bbn h ALA 88 Cb 0.56 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 2bbn h ALA 88 CO -0.70 -0.55 0.57 0.35 0.00 0.00 0.00 179.25 178.92 2bbn h PHE 89 N -0.11 0.97 -0.55 0.00 3.57 0.20 0.47 116.94 121.50 2bbn h PHE 89 Ca 0.09 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2bbn h PHE 89 Cb 0.25 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2bbn h PHE 89 CO -0.24 0.01 0.26 -0.09 -2.23 0.00 0.00 178.31 176.02 2bbn h ARG 90 N 0.52 0.79 -0.57 1.11 9.65 0.72 -1.26 114.38 125.34 2bbn h ARG 90 Ca 0.65 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.42 2bbn h ARG 90 Cb 1.29 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 2bbn h ARG 90 CO -0.50 0.64 0.37 0.28 2.80 0.00 0.00 179.97 183.56 2bbn h VAL 91 N 0.74 1.15 0.10 0.20 2.07 0.75 -2.80 116.25 118.45 2bbn h VAL 91 Ca 0.19 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2bbn h VAL 91 Cb 0.12 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2bbn h VAL 91 CO -0.02 0.14 -0.05 -0.26 0.02 0.00 0.00 177.57 177.40 2bbn h PHE 92 N 0.77 -0.12 -0.77 1.57 -1.00 -0.68 -3.32 116.94 113.39 2bbn h PHE 92 Ca 0.21 -0.00 -0.74 0.00 2.81 0.00 0.00 57.97 60.25 2bbn h PHE 92 Cb -0.08 0.04 -0.10 0.00 3.61 0.00 0.00 35.95 39.42 2bbn h PHE 92 CO 0.00 0.31 2.54 -3.47 -1.61 0.00 0.00 178.31 176.08 2bbn n ASP 93 N -4.94 4.78 0.30 2.17 -0.08 -0.53 -4.72 116.55 113.53 2bbn n ASP 93 Ca -0.09 -2.99 0.19 0.00 -1.51 0.00 0.00 54.79 50.39 2bbn n ASP 93 Cb 0.25 -1.55 0.97 0.00 2.34 0.00 0.00 41.12 43.13 2bbn n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2bbn h LYS 94 N 5.79 0.00 0.00 -0.67 1.57 -1.66 -3.17 116.57 118.42 2bbn h LYS 94 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2bbn h LYS 94 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2bbn h LYS 94 CO 1.74 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 180.37 2bbn n ASP 95 N -3.23 0.00 0.00 0.86 9.92 -1.26 -4.98 116.55 117.86 2bbn n ASP 95 Ca -0.01 0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2bbn n ASP 95 Cb 0.25 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 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 -0.34 -0.26 0.00 0.44 0.00 -1.20 -5.07 105.19 98.76 2bbn n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bbn n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bbn n ASN 97 N 0.00 0.00 0.00 1.61 0.23 -1.26 -5.00 115.26 110.84 2bbn n ASN 97 Ca 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 2bbn n ASN 97 Cb 0.00 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bbn n GLY 98 N 0.92 0.00 3.62 4.83 0.00 -1.26 -5.16 105.19 108.15 2bbn n GLY 98 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2bbn n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bbn s PHE 99 N 0.00 -0.52 0.11 1.61 -0.12 -1.26 -4.66 117.98 113.14 2bbn s PHE 99 Ca 0.00 1.21 -0.30 0.00 -0.05 0.00 0.00 56.93 57.78 2bbn s PHE 99 Cb 0.00 0.36 -0.06 0.00 -0.63 0.00 0.00 43.02 42.69 2bbn s PHE 99 CO 0.00 -0.28 1.17 0.42 -0.05 0.00 0.00 175.22 176.47 2bbn s ILE 100 N 0.01 3.94 0.29 -4.49 1.01 -1.10 -4.85 121.20 116.01 2bbn s ILE 100 Ca 0.01 1.49 0.09 0.00 0.00 0.00 0.00 60.65 62.25 2bbn s ILE 100 Cb -0.04 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2bbn s ILE 100 CO -0.03 0.17 0.05 -0.55 0.00 0.00 0.00 174.94 174.58 2bbn s SER 101 N 0.60 4.62 0.00 3.58 0.15 -1.26 -3.34 113.70 118.04 2bbn s SER 101 Ca 0.55 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2bbn s SER 101 Cb -0.30 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 2bbn s SER 101 CO 0.32 -0.11 0.86 0.00 1.20 0.00 0.00 173.24 175.51 2bbn n ALA 102 N -0.99 -0.13 -0.28 5.45 0.00 -1.26 -1.62 120.51 121.68 2bbn n ALA 102 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 2bbn n ALA 102 Cb 0.60 0.28 0.15 0.00 0.00 0.00 0.00 19.45 20.48 2bbn n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bbn h ALA 103 N -1.53 1.12 -0.31 0.00 0.00 -1.97 -2.48 119.26 114.09 2bbn h ALA 103 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2bbn h ALA 103 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2bbn h ALA 103 CO 0.00 0.13 -0.27 0.93 0.00 0.00 0.00 179.25 180.04 2bbn h GLU 104 N 0.82 -0.11 0.03 0.00 5.08 -1.84 -1.43 114.58 117.12 2bbn h GLU 104 Ca 0.37 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.77 2bbn h GLU 104 Cb 0.28 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2bbn h GLU 104 CO -0.21 -0.07 -0.26 1.25 -1.00 0.00 0.00 179.01 178.71 2bbn h LEU 105 N -0.11 -0.78 -1.76 1.33 5.85 -1.10 -0.43 115.31 118.30 2bbn h LEU 105 Ca 0.05 0.10 0.51 0.00 0.84 0.00 0.00 57.88 59.38 2bbn h LEU 105 Cb 0.25 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2bbn h LEU 105 CO -0.35 -0.34 1.39 -0.09 -0.34 0.00 0.00 178.44 178.71 2bbn h ARG 106 N -0.42 0.00 0.13 1.25 1.12 -0.85 1.06 114.38 116.67 2bbn h ARG 106 Ca 0.06 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.71 2bbn h ARG 106 Cb 0.49 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2bbn h ARG 106 CO -0.21 0.00 -1.01 1.25 -3.11 0.00 0.00 179.97 176.88 2bbn h HIS 107 N 0.00 0.49 -0.12 2.20 2.76 -0.09 -2.66 115.15 117.72 2bbn h HIS 107 Ca 0.84 -0.36 -0.09 0.00 -2.20 0.00 0.00 60.37 58.56 2bbn h HIS 107 Cb 3.60 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 32.54 2bbn h HIS 107 CO 0.00 1.39 -0.28 0.28 -1.30 0.00 0.00 177.93 178.02 2bbn h VAL 108 N -0.37 1.38 -0.11 5.26 2.07 0.13 -1.96 116.25 122.64 2bbn h VAL 108 Ca -0.20 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 2bbn h VAL 108 Cb 1.66 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2bbn h VAL 108 CO 0.11 0.46 0.00 0.24 0.02 0.00 0.00 177.57 178.40 2bbn h MET 109 N -0.01 0.19 0.00 1.57 2.07 -0.64 -2.37 114.93 115.74 2bbn h MET 109 Ca 0.00 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 2bbn h MET 109 Cb 0.88 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.58 2bbn h MET 109 CO 0.06 0.43 -0.17 0.00 1.07 0.00 0.00 176.91 178.30 2bbn h THR 110 N -0.07 0.76 0.00 2.22 1.03 -1.55 -1.89 112.91 113.41 2bbn h THR 110 Ca 0.03 -0.68 -0.13 0.00 -0.01 0.00 0.00 66.41 65.63 2bbn h THR 110 Cb 0.34 1.41 -0.02 0.00 -1.07 0.00 0.00 68.15 68.81 2bbn h THR 110 CO 0.00 0.17 -0.60 0.78 -0.01 0.00 0.00 175.52 175.87 2bbn h ASN 111 N 0.00 0.00 0.42 0.00 4.21 -1.13 -3.13 115.58 115.94 2bbn h ASN 111 Ca -0.00 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.35 2bbn h ASN 111 Cb 0.40 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2bbn h ASN 111 CO 0.02 0.60 -0.66 -0.07 -1.29 0.00 0.00 177.43 176.03 2bbn h LEU 112 N 0.00 0.26 0.00 1.61 3.38 -0.82 -3.47 115.31 116.27 2bbn h LEU 112 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bbn h LEU 112 Cb 1.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bbn h LEU 112 CO 0.08 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2bbn n GLY 113 N 0.39 1.74 3.53 0.83 0.00 -1.11 -5.12 105.19 105.45 2bbn n GLY 113 Ca -0.03 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2bbn n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bbn n GLU 114 N 0.00 0.94 -2.12 1.61 1.02 -1.18 -4.88 120.64 116.03 2bbn n GLU 114 Ca 0.00 0.34 -0.33 0.00 -0.02 0.00 0.00 57.16 57.15 2bbn n GLU 114 Cb 0.00 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 29.74 2bbn n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2bbn n LYS 115 N 0.50 3.10 -3.26 3.49 4.01 -1.26 -4.26 118.16 120.49 2bbn n LYS 115 Ca 0.11 -3.97 -0.39 0.00 -0.51 0.00 0.00 58.31 53.54 2bbn n LYS 115 Cb 0.37 -2.26 -0.07 0.00 -0.51 0.00 0.00 35.03 32.56 2bbn n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2bbn s LEU 116 N -3.79 4.15 0.00 -0.35 1.43 -1.26 -5.06 118.68 113.79 2bbn s LEU 116 Ca 0.51 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2bbn s LEU 116 Cb 0.43 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2bbn s LEU 116 CO -0.25 -0.17 0.00 0.41 0.23 0.00 0.00 176.35 176.57 2bbn n THR 117 N 4.53 0.00 -0.03 5.49 -1.04 -1.26 -4.88 114.28 117.09 2bbn n THR 117 Ca -0.05 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.92 2bbn n THR 117 Cb 0.50 -0.21 -0.13 0.00 -1.82 0.00 0.00 70.33 68.67 2bbn n THR 117 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2bbn n ASP 118 N 0.00 0.49 0.29 8.00 2.03 -1.26 -4.17 116.55 121.93 2bbn n ASP 118 Ca 0.00 0.22 -0.16 0.00 0.52 0.00 0.00 54.79 55.37 2bbn n ASP 118 Cb 0.00 0.60 -0.08 0.00 -0.72 0.00 0.00 41.12 40.92 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2bbn h GLU 119 N 0.00 -0.69 -0.61 -0.67 4.39 -2.01 -2.66 114.58 112.34 2bbn h GLU 119 Ca -0.29 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.57 2bbn h GLU 119 Cb 1.81 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 30.50 2bbn h GLU 119 CO 0.04 -0.41 -0.32 0.93 -1.16 0.00 0.00 179.01 178.10 2bbn h GLU 120 N -0.86 -0.14 -0.27 2.33 5.08 -1.94 -1.26 114.58 117.52 2bbn h GLU 120 Ca -0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2bbn h GLU 120 Cb 0.61 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 2bbn h GLU 120 CO 0.12 -0.09 -0.47 0.28 -1.00 0.00 0.00 179.01 177.85 2bbn h VAL 121 N -0.14 0.00 -0.91 3.13 2.07 -1.70 0.00 116.25 118.70 2bbn h VAL 121 Ca 0.25 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.92 2bbn h VAL 121 Cb 0.55 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.16 2bbn h VAL 121 CO -0.69 0.00 -0.30 -0.67 0.02 0.00 0.00 177.57 175.93 2bbn n ASP 122 N -4.97 -0.48 -0.03 0.57 2.03 -0.50 0.20 116.55 113.36 2bbn n ASP 122 Ca -0.04 1.58 -0.02 0.00 0.52 0.00 0.00 54.79 56.83 2bbn n ASP 122 Cb 0.30 -0.41 0.25 0.00 -0.72 0.00 0.00 41.12 40.54 2bbn n ASP 122 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2bbn h GLU 123 N 0.00 0.59 -0.15 -0.67 4.81 -0.95 -1.59 114.58 116.62 2bbn h GLU 123 Ca 0.37 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 2bbn h GLU 123 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2bbn h GLU 123 CO -0.92 0.64 -0.45 0.52 -0.73 0.00 0.00 179.01 178.07 2bbn h MET 124 N 0.56 0.38 -0.18 1.92 2.86 0.40 -2.84 114.93 118.04 2bbn h MET 124 Ca 0.11 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 2bbn h MET 124 Cb 0.40 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2bbn h MET 124 CO 0.02 0.76 -0.29 0.82 1.06 0.00 0.00 176.91 179.27 2bbn h ILE 125 N 0.31 1.34 0.19 -1.22 1.08 0.29 -3.21 117.51 116.29 2bbn h ILE 125 Ca 0.02 -1.52 0.01 0.00 -0.39 0.00 0.00 64.86 62.98 2bbn h ILE 125 Cb 0.92 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 2bbn h ILE 125 CO 0.08 0.46 -0.52 0.03 -0.69 0.00 0.00 178.15 177.51 2bbn h ARG 126 N 0.17 -0.77 -1.21 2.37 3.08 -1.21 -0.29 114.38 116.51 2bbn h ARG 126 Ca 0.01 0.05 0.40 0.00 0.07 0.00 0.00 59.98 60.52 2bbn h ARG 126 Cb 0.88 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.97 2bbn h ARG 126 CO 0.07 -0.51 0.75 0.93 -1.07 0.00 0.00 179.97 180.14 2bbn h GLU 127 N -0.80 0.13 -0.45 0.04 4.39 -1.57 1.51 114.58 117.83 2bbn h GLU 127 Ca -0.02 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2bbn h GLU 127 Cb 0.78 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2bbn h GLU 127 CO -0.25 0.08 -0.26 0.00 -1.16 0.00 0.00 179.01 177.43 2bbn h ALA 128 N 1.69 0.68 -2.21 3.43 0.00 -1.09 -3.40 119.26 118.36 2bbn h ALA 128 Ca 0.80 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 54.68 2bbn h ALA 128 Cb 2.32 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.84 2bbn h ALA 128 CO -0.49 0.67 0.35 0.34 0.00 0.00 0.00 179.25 180.12 2bbn s ASP 129 N -6.76 6.55 0.03 0.00 2.15 0.52 -4.89 116.67 114.27 2bbn s ASP 129 Ca -0.11 0.38 0.26 0.00 0.43 0.00 0.00 52.55 53.50 2bbn s ASP 129 Cb 0.12 -2.39 0.63 0.00 -0.30 0.00 0.00 42.92 40.98 2bbn s ASP 129 CO 0.87 -0.69 1.51 -0.38 -0.17 0.00 0.00 175.17 176.31 2bbn n ILE 130 N 5.72 0.09 -0.11 4.11 5.41 -1.26 -4.28 119.36 129.04 2bbn n ILE 130 Ca 0.02 -0.06 -0.18 0.00 1.00 0.00 0.00 62.75 63.53 2bbn n ILE 130 Cb 0.48 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.35 2bbn n ILE 130 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2bbn n ASP 131 N -1.65 1.93 0.00 4.38 9.92 -1.26 -5.03 116.55 124.84 2bbn n ASP 131 Ca 0.05 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2bbn n ASP 131 Cb 0.36 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 132 N 1.39 -0.66 0.32 0.44 0.00 -1.26 -5.02 105.19 100.40 2bbn n GLY 132 Ca -0.31 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.88 2bbn n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bbn h ASP 133 N 0.00 -0.02 0.00 1.61 5.19 -1.96 -3.44 116.42 117.79 2bbn h ASP 133 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2bbn h ASP 133 Cb 0.00 0.31 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2bbn h ASP 133 CO 0.00 -0.24 0.00 0.61 -3.12 0.00 0.00 179.24 176.49 2bbn n GLY 134 N -1.38 2.86 3.85 2.75 0.00 -1.26 -5.02 105.19 106.99 2bbn n GLY 134 Ca 0.25 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 3.98 -0.52 1.61 -0.21 -1.26 -4.84 119.66 118.43 2bbn s GLN 135 Ca 0.00 0.51 -0.16 0.00 0.02 0.00 0.00 55.36 55.73 2bbn s GLN 135 Cb 0.00 -2.84 0.10 0.00 1.00 0.00 0.00 33.01 31.26 2bbn s GLN 135 CO 0.00 0.42 0.49 0.08 -2.12 0.00 0.00 175.29 174.16 2bbn s VAL 136 N -1.57 5.14 0.00 1.09 1.01 -1.21 -4.93 120.40 119.94 2bbn s VAL 136 Ca 0.41 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2bbn s VAL 136 Cb -0.14 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2bbn s VAL 136 CO 0.20 -0.77 0.00 0.59 0.00 0.00 0.00 175.10 175.11 2bbn n ASN 137 N 5.44 0.00 -0.06 3.32 4.13 -1.26 -2.72 115.26 124.11 2bbn n ASN 137 Ca -0.12 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 55.93 2bbn n ASN 137 Cb 0.42 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.54 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2bbn h TYR 138 N 0.00 0.18 -0.74 3.10 3.20 -1.97 -3.18 116.97 117.56 2bbn h TYR 138 Ca 0.00 -0.13 0.16 0.00 3.14 0.00 0.00 58.73 61.90 2bbn h TYR 138 Cb 0.00 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.15 2bbn h TYR 138 CO 0.00 1.50 0.19 0.93 -1.64 0.00 0.00 178.16 179.14 2bbn h GLU 139 N -0.67 0.28 0.00 1.82 4.39 -1.98 0.50 114.58 118.91 2bbn h GLU 139 Ca -0.31 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 2bbn h GLU 139 Cb 1.49 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 2bbn h GLU 139 CO -0.08 0.18 -0.38 0.93 -1.16 0.00 0.00 179.01 178.50 2bbn h GLU 140 N 0.28 0.00 0.02 2.33 5.08 -1.93 0.16 114.58 120.53 2bbn h GLU 140 Ca 0.42 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.57 2bbn h GLU 140 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2bbn h GLU 140 CO -0.50 0.38 -0.95 0.35 -1.00 0.00 0.00 179.01 177.28 2bbn h PHE 141 N 0.00 0.19 0.18 4.33 3.04 -0.42 -2.55 116.94 121.70 2bbn h PHE 141 Ca -0.00 -0.12 -0.36 0.00 3.98 0.00 0.00 57.97 61.47 2bbn h PHE 141 Cb 0.94 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.44 2bbn h PHE 141 CO 0.00 1.00 -1.80 0.28 -2.02 0.00 0.00 178.31 175.77 2bbn h VAL 142 N 0.05 0.88 -0.80 1.41 2.07 -0.04 -2.24 116.25 117.58 2bbn h VAL 142 Ca -0.04 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 64.98 2bbn h VAL 142 Cb 1.64 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 34.09 2bbn h VAL 142 CO 0.14 0.87 0.43 0.74 0.02 0.00 0.00 177.57 179.76 2bbn h THR 143 N 0.10 1.24 0.09 2.57 2.02 -0.76 0.77 112.91 118.93 2bbn h THR 143 Ca -0.36 -0.60 -0.26 0.00 0.77 0.00 0.00 66.41 65.96 2bbn h THR 143 Cb 2.09 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2bbn h THR 143 CO 0.16 0.27 -1.14 -0.03 0.37 0.00 0.00 175.52 175.15 2bbn h MET 144 N 1.12 0.35 -2.23 6.66 1.85 -1.58 -3.36 114.93 117.74 2bbn h MET 144 Ca 0.28 -0.49 -0.57 0.00 -0.61 0.00 0.00 59.70 58.31 2bbn h MET 144 Cb 0.04 0.17 -0.42 0.00 0.43 0.00 0.00 31.60 31.82 2bbn h MET 144 CO -0.04 1.19 -0.74 -1.33 -0.40 0.00 0.00 176.91 175.58 2bbn n MET 145 N -3.63 2.77 0.00 0.39 2.00 -0.84 -4.81 117.12 113.00 2bbn n MET 145 Ca -0.08 -4.57 0.13 0.00 0.00 0.00 0.00 57.70 53.18 2bbn n MET 145 Cb 0.95 -2.13 0.39 0.00 0.00 0.00 0.00 33.22 32.43 2bbn n MET 145 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2bbn n THR 146 N -0.08 0.00 -3.56 2.03 5.66 0.26 -4.59 114.28 114.01 2bbn n THR 146 Ca 0.30 -0.06 -0.41 0.00 -3.05 0.00 0.00 64.05 60.83 2bbn n THR 146 Cb 0.44 0.19 -0.07 0.00 -1.55 0.00 0.00 70.33 69.34 2bbn n THR 146 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bbn s SER 147 N -2.71 5.83 0.00 1.09 1.04 -1.26 -5.08 113.70 112.61 2bbn s SER 147 Ca 0.20 -2.58 0.00 0.00 0.48 0.00 0.00 55.95 54.05 2bbn s SER 147 Cb 0.19 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.30 2bbn s SER 147 CO 0.58 -0.51 0.12 0.29 0.98 0.00 0.00 173.24 174.69