#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 0.01 0.00 2.03 -1.26 -4.89 116.55 112.44 2bbn n ASP 2 Ca 0.00 -1.00 0.11 0.00 0.52 0.00 0.00 54.79 54.42 2bbn n ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbn n GLN 3 N 0.00 0.17 0.00 -0.67 3.00 -1.26 -3.93 117.38 114.69 2bbn n GLN 3 Ca 0.00 -0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 2bbn n GLN 3 Cb 0.45 -1.54 0.64 0.00 0.00 0.00 0.00 30.24 29.79 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2bbn n LEU 4 N -1.75 0.00 0.00 1.08 4.77 -1.26 -4.71 117.00 115.13 2bbn n LEU 4 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2bbn n LEU 4 Cb 0.39 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2bbn n LEU 4 CO 0.41 -0.05 0.00 1.07 -1.33 0.00 0.00 177.39 177.49 2bbn n THR 5 N -1.28 0.00 -1.57 -5.08 5.66 -1.25 -4.87 114.28 105.90 2bbn n THR 5 Ca 0.12 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.03 2bbn n THR 5 Cb 0.20 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.95 2bbn n THR 5 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2bbn n GLU 6 N 0.00 -1.50 0.06 1.09 2.13 -1.26 -4.80 120.64 116.36 2bbn n GLU 6 Ca 0.00 0.54 -0.03 0.00 0.66 0.00 0.00 57.16 58.32 2bbn n GLU 6 Cb 0.00 -4.81 -0.02 0.00 0.27 0.00 0.00 31.44 26.88 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 7 N 0.00 -0.21 -0.42 5.31 5.08 -1.93 -3.07 114.58 119.33 2bbn h GLU 7 Ca -0.20 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2bbn h GLU 7 Cb 0.76 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 2bbn h GLU 7 CO 0.28 -0.14 0.02 1.96 -1.00 0.00 0.00 179.01 180.13 2bbn h GLN 8 N -0.69 0.12 -0.89 2.33 7.50 -2.01 -0.51 115.11 120.97 2bbn h GLN 8 Ca -0.02 -0.01 0.24 0.00 0.50 0.00 0.00 58.65 59.36 2bbn h GLN 8 Cb 0.17 -0.03 -0.14 0.00 0.05 0.00 0.00 27.48 27.53 2bbn h GLN 8 CO 0.04 0.08 0.32 0.82 -1.50 0.00 0.00 178.83 178.59 2bbn h ILE 9 N 0.13 0.37 -0.37 2.54 2.04 -1.95 0.58 117.51 120.85 2bbn h ILE 9 Ca 0.21 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 2bbn h ILE 9 Cb 0.30 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2bbn h ILE 9 CO -0.34 0.05 -0.09 0.00 0.00 0.00 0.00 178.15 177.78 2bbn h ALA 10 N 1.76 1.15 0.38 1.87 0.00 -1.00 -2.65 119.26 120.77 2bbn h ALA 10 Ca 0.57 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2bbn h ALA 10 Cb 1.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2bbn h ALA 10 CO -0.60 0.54 -0.39 0.93 0.00 0.00 0.00 179.25 179.72 2bbn h GLU 11 N 0.59 -0.77 -0.73 0.00 4.39 0.65 -1.80 114.58 116.92 2bbn h GLU 11 Ca 0.11 0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.93 2bbn h GLU 11 Cb 0.51 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 2bbn h GLU 11 CO 0.03 -0.51 0.48 0.74 -1.16 0.00 0.00 179.01 178.59 2bbn h PHE 12 N -0.80 0.77 -0.53 4.33 0.04 -1.44 -1.59 116.94 117.73 2bbn h PHE 12 Ca -0.03 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.86 2bbn h PHE 12 Cb 0.72 -0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.53 2bbn h PHE 12 CO -0.22 0.41 0.04 -0.22 -0.60 0.00 0.00 178.31 177.71 2bbn h LYS 13 N 0.76 0.15 -0.39 1.51 3.64 -0.97 -0.47 116.57 120.80 2bbn h LYS 13 Ca 0.32 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2bbn h LYS 13 Cb 0.26 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2bbn h LYS 13 CO -0.11 0.10 0.25 0.93 -2.27 0.00 0.00 179.45 178.36 2bbn h GLU 14 N 0.16 0.51 -0.88 1.90 4.39 -0.81 -1.60 114.58 118.26 2bbn h GLU 14 Ca 0.27 -0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.11 2bbn h GLU 14 Cb 0.41 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 2bbn h GLU 14 CO -0.41 0.35 0.57 0.00 -1.16 0.00 0.00 179.01 178.36 2bbn h ALA 15 N 1.13 2.01 0.42 3.43 0.00 -0.86 -2.09 119.26 123.31 2bbn h ALA 15 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2bbn h ALA 15 Cb -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bbn h ALA 15 CO -0.03 -0.27 -0.20 0.74 0.00 0.00 0.00 179.25 179.48 2bbn h PHE 16 N 0.54 -0.52 -0.63 0.00 0.04 -0.30 0.32 116.94 116.38 2bbn h PHE 16 Ca 0.45 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 61.39 2bbn h PHE 16 Cb 0.93 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 2bbn h PHE 16 CO -0.00 -0.26 0.89 0.77 -0.60 0.00 0.00 178.31 179.11 2bbn h SER 17 N -1.10 0.00 0.04 2.17 0.02 -0.86 2.24 113.55 116.06 2bbn h SER 17 Ca -0.06 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.53 2bbn h SER 17 Cb 0.50 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 2bbn h SER 17 CO 0.09 0.00 -2.07 -0.11 -1.14 0.00 0.00 176.83 173.61 2bbn n LEU 18 N -3.23 2.40 -0.50 5.07 7.94 -0.83 -4.20 117.00 123.64 2bbn n LEU 18 Ca 0.13 0.20 0.07 0.00 -1.11 0.00 0.00 56.01 55.31 2bbn n LEU 18 Cb 1.10 -0.97 0.26 0.00 0.53 0.00 0.00 43.42 44.35 2bbn n LEU 18 CO 0.20 0.68 0.70 0.33 -1.11 0.00 0.00 177.39 178.19 2bbn n PHE 19 N -3.81 0.29 -3.82 1.96 7.35 0.11 -4.62 117.46 114.92 2bbn n PHE 19 Ca -0.40 -0.14 -0.30 0.00 -0.76 0.00 0.00 57.45 55.84 2bbn n PHE 19 Cb 0.91 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.59 2bbn n PHE 19 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2bbn s ASP 20 N -1.28 4.16 0.00 -2.13 2.15 0.72 -4.87 116.67 115.42 2bbn s ASP 20 Ca 0.25 -1.71 0.25 0.00 0.43 0.00 0.00 52.55 51.78 2bbn s ASP 20 Cb 0.13 -1.06 0.42 0.00 -0.30 0.00 0.00 42.92 42.11 2bbn s ASP 20 CO 0.19 -0.39 1.37 0.29 -0.17 0.00 0.00 175.17 176.46 2bbn n LYS 21 N 4.70 1.60 -0.00 4.34 5.02 -1.26 -4.46 118.16 128.09 2bbn n LYS 21 Ca -0.01 -1.20 -0.01 0.00 -2.02 0.00 0.00 58.31 55.07 2bbn n LYS 21 Cb 0.42 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.95 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bbn h ASP 22 N 2.93 -0.04 0.00 4.39 3.32 -1.96 -3.49 116.42 121.57 2bbn h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bbn h ASP 22 Cb 0.74 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2bbn h ASP 22 CO 0.00 0.20 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 2bbn n GLY 23 N 1.67 0.00 0.04 2.75 0.00 -1.26 -5.09 105.19 103.30 2bbn n GLY 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.68 -1.26 -5.12 116.55 117.46 2bbn n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2bbn n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 25 N 2.06 -0.08 3.04 6.12 0.00 -1.26 -4.97 105.19 110.10 2bbn n GLY 25 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.46 2.61 -4.23 -1.26 -4.39 115.64 107.89 2bbn s THR 26 Ca 0.00 0.09 -0.28 0.00 -1.18 0.00 0.00 61.69 60.32 2bbn s THR 26 Cb 0.00 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 2bbn s THR 26 CO 0.00 0.04 1.78 -0.63 -0.54 0.00 0.00 174.62 175.27 2bbn s ILE 27 N 0.72 3.47 0.29 2.99 -1.09 -1.15 -4.85 121.20 121.58 2bbn s ILE 27 Ca -0.05 0.41 0.10 0.00 -2.23 0.00 0.00 60.65 58.88 2bbn s ILE 27 Cb -0.06 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2bbn s ILE 27 CO -0.04 -0.66 -0.01 -0.89 -1.23 0.00 0.00 174.94 172.11 2bbn s THR 28 N 7.68 3.15 0.39 2.92 2.01 -1.26 -3.47 115.64 127.07 2bbn s THR 28 Ca 0.72 -1.97 0.16 0.00 0.31 0.00 0.00 61.69 60.92 2bbn s THR 28 Cb -0.17 -2.78 0.37 0.00 0.01 0.00 0.00 72.50 69.93 2bbn s THR 28 CO 0.28 -0.33 1.81 0.71 -0.69 0.00 0.00 174.62 176.40 2bbn h THR 29 N 1.89 0.62 -0.01 -0.82 1.35 -1.93 0.41 112.91 114.43 2bbn h THR 29 Ca -0.43 -0.16 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2bbn h THR 29 Cb 1.25 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2bbn h THR 29 CO 0.62 0.09 0.00 0.50 -0.25 0.00 0.00 175.52 176.48 2bbn h LYS 30 N 0.47 0.01 0.00 4.72 3.64 -1.98 0.71 116.57 124.14 2bbn h LYS 30 Ca 0.54 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.79 2bbn h LYS 30 Cb 1.26 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2bbn h LYS 30 CO -0.26 0.10 -0.59 0.93 -2.27 0.00 0.00 179.45 177.36 2bbn h GLU 31 N -0.08 0.00 0.08 1.90 5.08 -1.43 -1.94 114.58 118.19 2bbn h GLU 31 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 31 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bbn h GLU 31 CO -0.00 0.59 -0.04 1.25 -1.00 0.00 0.00 179.01 179.82 2bbn h LEU 32 N 0.00 -0.09 -0.04 1.33 6.46 0.06 -2.66 115.31 120.38 2bbn h LEU 32 Ca -0.01 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2bbn h LEU 32 Cb 1.06 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 2bbn h LEU 32 CO 0.08 0.07 -0.38 1.23 -0.62 0.00 0.00 178.44 178.82 2bbn h GLY 33 N -0.38 -0.66 -0.17 3.75 0.00 0.31 0.79 103.07 106.71 2bbn h GLY 33 Ca -0.01 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.81 2bbn h GLY 33 CO 0.02 -0.24 -0.33 -0.84 0.00 0.00 0.00 176.54 175.15 2bbn h THR 34 N -0.52 0.00 0.88 4.70 2.02 -1.46 0.53 112.91 119.07 2bbn h THR 34 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 2bbn h THR 34 Cb 0.61 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2bbn h THR 34 CO -0.32 0.00 -0.42 0.58 0.37 0.00 0.00 175.52 175.72 2bbn h VAL 35 N -0.28 0.00 -1.13 3.16 2.07 -1.23 -2.48 116.25 116.35 2bbn h VAL 35 Ca 0.03 -0.06 0.36 0.00 0.82 0.00 0.00 66.70 67.85 2bbn h VAL 35 Cb 0.37 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.01 2bbn h VAL 35 CO -0.31 0.00 0.69 -0.03 0.02 0.00 0.00 177.57 177.94 2bbn h MET 36 N -1.25 0.23 -0.58 1.57 -1.53 0.72 0.72 114.93 114.81 2bbn h MET 36 Ca -0.12 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.08 2bbn h MET 36 Cb 0.91 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.88 2bbn h MET 36 CO 0.20 0.15 0.17 -0.09 0.14 0.00 0.00 176.91 177.47 2bbn h ARG 37 N 0.23 0.91 -0.04 0.39 2.43 0.40 -0.64 114.38 118.05 2bbn h ARG 37 Ca 0.74 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2bbn h ARG 37 Cb 2.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 2bbn h ARG 37 CO -0.48 0.83 0.00 -1.13 -1.51 0.00 0.00 179.97 177.67 2bbn n SER 38 N -4.41 0.04 -0.06 -3.80 3.41 0.25 -1.87 113.62 107.19 2bbn n SER 38 Ca 0.03 -1.48 -0.12 0.00 -0.26 0.00 0.00 58.87 57.04 2bbn n SER 38 Cb 0.22 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 2bbn n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2bbn n LEU 39 N -0.46 0.99 -0.83 1.04 7.94 -0.33 -4.93 117.00 120.41 2bbn n LEU 39 Ca 0.00 0.12 -0.05 0.00 -1.11 0.00 0.00 56.01 54.97 2bbn n LEU 39 Cb 0.01 -0.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.58 2bbn n LEU 39 CO 0.00 0.28 0.30 0.61 -1.11 0.00 0.00 177.39 177.46 2bbn n GLY 40 N 2.35 0.55 7.00 -3.96 0.00 -0.72 -5.10 105.19 105.31 2bbn n GLY 40 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2bbn n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bbn n GLN 41 N 0.00 0.00 -3.53 1.61 -0.06 -0.78 -4.99 117.38 109.63 2bbn n GLN 41 Ca -0.19 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.68 2bbn n GLN 41 Cb 0.61 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.75 2bbn n GLN 41 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2bbn s ASN 42 N -4.00 -0.48 0.00 1.69 -0.87 -1.26 -4.43 114.94 105.59 2bbn s ASN 42 Ca 0.00 0.38 0.00 0.00 -1.57 0.00 0.00 52.86 51.67 2bbn s ASN 42 Cb 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 41.25 41.65 2bbn s ASN 42 CO 0.00 -0.55 0.93 -0.81 -2.57 0.00 0.00 177.10 174.10 2bbn n PRO 43 N 0.47 0.00 -4.20 -0.60 -0.04 -1.26 -4.95 135.00 124.43 2bbn n PRO 43 Ca -0.13 0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2bbn n PRO 43 Cb 0.59 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bbn s THR 44 N -2.77 0.00 -0.14 0.52 -4.23 -1.26 -5.07 115.64 102.70 2bbn s THR 44 Ca 0.00 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.57 2bbn s THR 44 Cb 0.00 -2.48 -0.24 0.00 1.34 0.00 0.00 72.50 71.12 2bbn s THR 44 CO 0.00 0.00 0.29 -0.62 -0.54 0.00 0.00 174.62 173.75 2bbn n GLU 45 N -0.38 0.72 -0.31 3.99 4.71 -1.26 -4.14 120.64 123.97 2bbn n GLU 45 Ca 0.03 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 2bbn n GLU 45 Cb 0.64 -1.68 0.14 0.00 -1.01 0.00 0.00 31.44 29.53 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bbn h ALA 46 N 0.22 1.17 -0.54 0.62 0.00 -2.00 -0.02 119.26 118.71 2bbn h ALA 46 Ca -0.44 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.58 2bbn h ALA 46 Cb 2.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2bbn h ALA 46 CO 0.05 0.29 0.37 1.49 0.00 0.00 0.00 179.25 181.46 2bbn h GLU 47 N 0.98 0.19 -0.09 0.00 4.81 -2.00 -1.26 114.58 117.21 2bbn h GLU 47 Ca 0.37 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 2bbn h GLU 47 Cb 0.15 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2bbn h GLU 47 CO -0.17 0.12 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.08 2bbn h LEU 48 N 0.19 0.23 -1.28 1.64 4.07 -1.16 0.55 115.31 119.55 2bbn h LEU 48 Ca 0.26 -0.48 0.09 0.00 0.08 0.00 0.00 57.88 57.83 2bbn h LEU 48 Cb 0.75 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.37 2bbn h LEU 48 CO -0.04 0.66 0.54 -0.61 -1.08 0.00 0.00 178.44 177.90 2bbn h GLN 49 N -0.20 0.79 -0.04 1.13 5.75 -0.95 0.38 115.11 121.97 2bbn h GLN 49 Ca 0.01 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 2bbn h GLN 49 Cb 0.59 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2bbn h GLN 49 CO 0.02 0.52 -0.23 0.38 -2.65 0.00 0.00 178.83 176.88 2bbn h ASP 50 N 0.82 0.27 -0.77 -0.69 3.04 -1.25 -2.57 116.42 115.27 2bbn h ASP 50 Ca 0.38 -0.67 0.16 0.00 -3.24 0.00 0.00 57.03 53.65 2bbn h ASP 50 Cb 0.38 -0.08 -0.05 0.00 -1.04 0.00 0.00 39.33 38.54 2bbn h ASP 50 CO -0.15 0.90 0.51 -0.03 -2.04 0.00 0.00 179.24 178.44 2bbn h MET 51 N -0.33 0.38 -0.19 4.15 4.05 -0.12 -0.21 114.93 122.67 2bbn h MET 51 Ca -0.02 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 2bbn h MET 51 Cb 0.90 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2bbn h MET 51 CO 0.05 0.25 -0.37 0.82 0.23 0.00 0.00 176.91 177.89 2bbn h ILE 52 N 0.39 1.34 -0.25 1.77 2.04 -0.88 -3.05 117.51 118.87 2bbn h ILE 52 Ca 0.38 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 2bbn h ILE 52 Cb 0.90 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 2bbn h ILE 52 CO -0.12 0.49 0.02 0.78 0.00 0.00 0.00 178.15 179.33 2bbn h ASN 53 N 0.24 0.33 0.00 1.72 -0.26 -0.70 0.20 115.58 117.11 2bbn h ASN 53 Ca 0.01 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2bbn h ASN 53 Cb 0.97 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2bbn h ASN 53 CO 0.08 0.37 0.00 1.21 -1.06 0.00 0.00 177.43 178.03 2bbn n GLU 54 N -4.36 0.46 0.00 0.81 2.13 -0.25 -3.37 120.64 116.06 2bbn n GLU 54 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2bbn n GLU 54 Cb 0.19 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.86 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 -0.54 0.00 -2.13 6.31 0.31 -0.29 -4.98 118.33 117.01 2bbn n VAL 55 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 2bbn n VAL 55 Cb 0.00 -0.19 -0.05 0.00 -0.91 0.00 0.00 33.84 32.70 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2bbn s ASP 56 N -3.63 5.36 0.47 4.52 -1.08 0.55 -4.75 116.67 118.11 2bbn s ASP 56 Ca 0.00 -0.91 0.22 0.00 -0.52 0.00 0.00 52.55 51.34 2bbn s ASP 56 Cb 0.00 -2.56 1.18 0.00 -1.46 0.00 0.00 42.92 40.08 2bbn s ASP 56 CO 0.00 -2.57 1.98 0.00 0.52 0.00 0.00 175.17 175.10 2bbn h ALA 57 N 10.86 1.34 -3.00 3.66 0.00 -1.89 -3.32 119.26 126.91 2bbn h ALA 57 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bbn h ALA 57 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2bbn h ALA 57 CO 1.25 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 180.49 2bbn n ASP 58 N -3.80 0.00 0.00 0.00 9.92 -1.26 -4.99 116.55 116.42 2bbn n ASP 58 Ca -0.02 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 2bbn n ASP 58 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 59 N -0.46 0.98 0.31 0.44 0.00 -1.25 -4.96 105.19 100.25 2bbn n GLY 59 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.05 2bbn n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 60 N 0.53 0.00 -0.16 1.61 -0.00 -1.94 -3.43 115.58 112.20 2bbn h ASN 60 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.23 2bbn h ASN 60 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 2bbn h ASN 60 CO 0.00 0.00 -0.06 0.61 -0.00 0.00 0.00 177.43 177.98 2bbn n GLY 61 N -1.34 0.64 3.24 9.14 0.00 -1.26 -5.00 105.19 110.59 2bbn n GLY 61 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.09 0.12 -0.53 2.61 -4.23 -1.26 -4.85 115.64 105.41 2bbn s THR 62 Ca 0.00 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.29 2bbn s THR 62 Cb 0.00 -1.32 0.11 0.00 1.34 0.00 0.00 72.50 72.62 2bbn s THR 62 CO 0.00 -0.56 0.52 -0.63 -0.54 0.00 0.00 174.62 173.41 2bbn s ILE 63 N -3.85 5.13 0.00 2.99 1.09 -1.23 -4.94 121.20 120.40 2bbn s ILE 63 Ca 0.05 -1.26 0.00 0.00 -1.10 0.00 0.00 60.65 58.34 2bbn s ILE 63 Cb 0.04 -4.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.13 2bbn s ILE 63 CO -0.11 -0.84 0.00 0.47 -0.10 0.00 0.00 174.94 174.36 2bbn n ASP 64 N 5.47 0.00 -0.07 3.58 8.00 -1.26 -2.93 116.55 129.34 2bbn n ASP 64 Ca -0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.28 2bbn n ASP 64 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2bbn h PHE 65 N 0.00 0.00 -0.57 1.24 0.04 -1.97 -3.15 116.94 112.54 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 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 2bbn h PHE 65 CO 0.00 0.56 0.23 -1.35 -0.60 0.00 0.00 178.31 177.14 2bbn h PRO 66 N -1.00 0.41 -0.34 1.51 0.10 -1.98 -1.90 132.00 128.80 2bbn h PRO 66 Ca -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 66.00 65.98 2bbn h PRO 66 Cb 0.67 -0.09 -0.02 0.00 0.10 0.00 0.00 31.00 31.66 2bbn h PRO 66 CO -0.05 0.27 0.19 0.93 0.10 0.00 0.00 178.00 179.44 2bbn h GLU 67 N 0.42 0.47 -1.00 1.05 5.08 -1.93 -2.00 114.58 116.67 2bbn h GLU 67 Ca 0.28 -0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.83 2bbn h GLU 67 Cb 0.30 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.33 2bbn h GLU 67 CO -0.26 0.38 0.59 0.35 -1.00 0.00 0.00 179.01 179.07 2bbn h PHE 68 N 0.43 1.00 -0.56 4.33 3.57 -1.31 0.51 116.94 124.91 2bbn h PHE 68 Ca 0.12 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2bbn h PHE 68 Cb 0.04 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2bbn h PHE 68 CO -0.03 0.05 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.01 2bbn h LEU 69 N 0.57 0.97 -0.54 0.59 -0.00 -0.95 -2.49 115.31 113.45 2bbn h LEU 69 Ca 0.65 -0.27 -0.02 0.00 -0.00 0.00 0.00 57.88 58.24 2bbn h LEU 69 Cb 1.24 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 2bbn h LEU 69 CO -0.48 1.03 0.27 0.74 -0.00 0.00 0.00 178.44 180.00 2bbn h THR 70 N 0.90 1.19 -0.65 0.22 2.02 0.38 0.52 112.91 117.50 2bbn h THR 70 Ca 0.16 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.84 2bbn h THR 70 Cb 0.55 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2bbn h THR 70 CO 0.03 0.21 0.43 -0.03 0.37 0.00 0.00 175.52 176.53 2bbn h MET 71 N 0.72 0.78 -0.01 6.66 1.85 -0.93 1.41 114.93 125.41 2bbn h MET 71 Ca 0.19 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.23 2bbn h MET 71 Cb 0.09 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.94 2bbn h MET 71 CO -0.03 0.52 -0.28 -1.33 -0.40 0.00 0.00 176.91 175.38 2bbn n MET 72 N -4.45 0.79 -0.01 0.39 2.00 -0.81 -3.77 117.12 111.26 2bbn n MET 72 Ca 0.08 -0.48 0.01 0.00 0.00 0.00 0.00 57.70 57.31 2bbn n MET 72 Cb 0.10 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 31.85 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 -0.69 2.25 -1.55 3.04 0.00 0.18 -4.95 120.51 118.78 2bbn n ALA 73 Ca 0.12 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 2bbn n ALA 73 Cb 0.35 -0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.15 0.38 0.00 0.00 0.63 0.46 -4.74 116.66 113.25 2bbn n ARG 74 Ca 0.01 -1.06 0.00 0.00 -0.92 0.00 0.00 57.85 55.89 2bbn n ARG 74 Cb 0.16 -3.60 0.00 0.00 0.45 0.00 0.00 32.46 29.48 2bbn n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2bbn n LYS 75 N 8.36 0.00 -3.49 -0.14 5.02 -1.26 -4.73 118.16 121.92 2bbn n LYS 75 Ca 0.45 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.53 2bbn n LYS 75 Cb 0.43 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.31 2bbn n LYS 75 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2bbn s MET 76 N 0.00 0.21 1.02 1.97 1.75 -1.26 -5.08 119.30 117.90 2bbn s MET 76 Ca 0.00 -0.03 -0.16 0.00 -1.25 0.00 0.00 55.69 54.25 2bbn s MET 76 Cb 0.00 -1.15 0.11 0.00 2.84 0.00 0.00 34.83 36.63 2bbn s MET 76 CO 0.00 -0.80 0.02 1.63 -0.65 0.00 0.00 175.02 175.22 2bbn n LYS 77 N 5.30 -1.78 -2.97 4.11 5.02 -1.26 -4.84 118.16 121.75 2bbn n LYS 77 Ca -0.05 -0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 55.29 2bbn n LYS 77 Cb 0.48 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 2bbn n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2bbn s ASP 78 N -1.80 6.23 -1.10 4.39 1.11 -1.26 -4.48 116.67 119.76 2bbn s ASP 78 Ca 0.41 -0.88 -0.24 0.00 0.18 0.00 0.00 52.55 52.01 2bbn s ASP 78 Cb -0.06 -2.37 0.03 0.00 1.07 0.00 0.00 42.92 41.59 2bbn s ASP 78 CO 0.45 -1.20 0.68 0.35 1.18 0.00 0.00 175.17 176.64 2bbn n THR 79 N 5.85 -3.55 0.00 -1.27 -2.24 -1.26 -4.95 114.28 106.87 2bbn n THR 79 Ca -0.04 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2bbn n THR 79 Cb 0.45 -2.88 0.00 0.00 -2.10 0.00 0.00 70.33 65.81 2bbn n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bbn n ASP 80 N -2.33 0.00 -3.85 3.42 2.03 -1.26 -4.95 116.55 109.62 2bbn n ASP 80 Ca -0.15 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.82 2bbn n ASP 80 Cb 0.60 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.01 2bbn n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2bbn n SER 81 N 0.00 -4.83 0.00 1.67 3.41 -1.26 -4.83 113.62 107.77 2bbn n SER 81 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2bbn n SER 81 Cb 0.00 -2.19 0.00 0.00 -0.26 0.00 0.00 64.21 61.76 2bbn n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bbn n GLU 82 N -3.86 0.00 -0.05 4.33 -0.58 -1.26 -4.87 120.64 114.35 2bbn n GLU 82 Ca -0.17 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2bbn n GLU 82 Cb 0.61 -0.36 -0.00 0.00 -0.57 0.00 0.00 31.44 31.12 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 83 N 0.00 -0.00 -0.96 3.49 5.08 -1.99 -2.49 114.58 117.70 2bbn h GLU 83 Ca 0.00 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 2bbn h GLU 83 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2bbn h GLU 83 CO 0.00 -0.00 0.45 1.05 -1.00 0.00 0.00 179.01 179.51 2bbn h GLU 84 N -0.97 0.28 -0.22 2.33 4.11 -1.99 0.41 114.58 118.52 2bbn h GLU 84 Ca -0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 2bbn h GLU 84 Cb 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2bbn h GLU 84 CO 0.00 0.18 -0.18 0.82 0.07 0.00 0.00 179.01 179.91 2bbn h ILE 85 N 0.29 1.32 -0.75 -1.06 5.03 -1.90 -2.81 117.51 117.62 2bbn h ILE 85 Ca 0.67 -1.31 0.15 0.00 -0.12 0.00 0.00 64.86 64.25 2bbn h ILE 85 Cb 1.48 1.68 -0.14 0.00 -3.03 0.00 0.00 36.82 36.80 2bbn h ILE 85 CO -0.63 0.40 -0.20 -0.09 -0.68 0.00 0.00 178.15 176.96 2bbn h ARG 86 N 0.21 -0.01 0.29 2.37 9.65 0.29 0.22 114.38 127.40 2bbn h ARG 86 Ca 0.04 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2bbn h ARG 86 Cb 0.71 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 2bbn h ARG 86 CO 0.05 -0.00 -0.15 1.49 2.80 0.00 0.00 179.97 184.15 2bbn h GLU 87 N -0.01 -0.40 -1.00 0.20 4.81 -1.33 -0.43 114.58 116.43 2bbn h GLU 87 Ca 0.36 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.84 2bbn h GLU 87 Cb 0.55 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.93 2bbn h GLU 87 CO -0.78 -0.26 0.63 0.00 -0.73 0.00 0.00 179.01 177.86 2bbn h ALA 88 N 0.30 1.98 -0.38 2.92 0.00 -0.70 0.57 119.26 123.94 2bbn h ALA 88 Ca -0.04 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2bbn h ALA 88 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bbn h ALA 88 CO 0.05 -0.36 -0.26 0.35 0.00 0.00 0.00 179.25 179.04 2bbn h PHE 89 N 0.55 0.90 -0.37 0.00 3.04 0.12 -2.04 116.94 119.15 2bbn h PHE 89 Ca 0.57 -0.22 -0.05 0.00 3.98 0.00 0.00 57.97 62.26 2bbn h PHE 89 Cb 1.20 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 2bbn h PHE 89 CO -0.00 0.96 0.03 -0.09 -2.02 0.00 0.00 178.31 177.18 2bbn h ARG 90 N 0.67 0.56 -0.07 1.11 9.65 0.17 0.46 114.38 126.94 2bbn h ARG 90 Ca 0.09 -0.11 -0.19 0.00 -1.10 0.00 0.00 59.98 58.66 2bbn h ARG 90 Cb 0.78 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2bbn h ARG 90 CO 0.06 0.56 -0.76 0.28 2.80 0.00 0.00 179.97 182.92 2bbn h VAL 91 N 0.54 1.38 -0.04 0.20 2.07 -0.86 -3.25 116.25 116.28 2bbn h VAL 91 Ca 0.12 -2.18 -0.05 0.00 0.82 0.00 0.00 66.70 65.41 2bbn h VAL 91 Cb 0.30 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2bbn h VAL 91 CO 0.01 0.66 -0.15 -0.26 0.02 0.00 0.00 177.57 177.84 2bbn h PHE 92 N 0.28 0.23 -1.29 1.57 -1.00 -0.93 -3.30 116.94 112.51 2bbn h PHE 92 Ca -0.04 -0.10 -0.75 0.00 2.81 0.00 0.00 57.97 59.90 2bbn h PHE 92 Cb 1.35 -0.04 -0.14 0.00 3.61 0.00 0.00 35.95 40.73 2bbn h PHE 92 CO 0.05 0.77 2.25 -3.47 -1.61 0.00 0.00 178.31 176.30 2bbn n ASP 93 N -4.61 7.52 -0.34 2.17 2.03 0.11 -4.76 116.55 118.68 2bbn n ASP 93 Ca -0.08 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.05 2bbn n ASP 93 Cb 0.40 -1.37 0.06 0.00 -0.72 0.00 0.00 41.12 39.50 2bbn n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2bbn h LYS 94 N 4.77 -0.02 0.00 -0.67 1.57 -1.64 -3.40 116.57 117.18 2bbn h LYS 94 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 2bbn h LYS 94 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2bbn h LYS 94 CO 1.48 -0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 180.10 2bbn n ASP 95 N -5.51 -0.22 -2.65 0.86 9.92 -1.26 -4.97 116.55 112.72 2bbn n ASP 95 Ca 0.11 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.30 2bbn n ASP 95 Cb 0.42 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.00 2.75 0.08 0.44 0.00 -1.26 -4.89 105.19 102.30 2bbn n GLY 96 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2bbn n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 97 N 2.60 0.00 0.00 1.61 7.08 -1.93 -3.49 115.58 121.45 2bbn h ASN 97 Ca -0.02 -0.36 0.00 0.00 -3.08 0.00 0.00 56.30 52.84 2bbn h ASN 97 Cb 1.29 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.53 2bbn h ASN 97 CO 0.37 0.98 0.00 0.61 -2.08 0.00 0.00 177.43 177.30 2bbn n GLY 98 N 1.59 -0.26 3.64 9.14 0.00 -1.26 -5.13 105.19 112.91 2bbn n GLY 98 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.73 0.06 0.04 1.61 -0.12 -1.26 -4.48 117.98 113.11 2bbn s PHE 99 Ca 0.00 -0.44 -0.10 0.00 -0.05 0.00 0.00 56.93 56.34 2bbn s PHE 99 Cb 0.00 0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 2bbn s PHE 99 CO 0.00 -1.04 0.36 0.42 -0.05 0.00 0.00 175.22 174.92 2bbn s ILE 100 N -3.95 5.14 0.00 -4.49 1.01 -1.11 -4.91 121.20 112.90 2bbn s ILE 100 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2bbn s ILE 100 Cb -0.02 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2bbn s ILE 100 CO 0.05 0.36 0.00 -1.54 0.00 0.00 0.00 174.94 173.81 2bbn n SER 101 N 1.13 1.65 0.08 3.58 3.41 -1.26 -3.44 113.62 118.76 2bbn n SER 101 Ca -0.10 -0.80 -0.23 0.00 -0.26 0.00 0.00 58.87 57.48 2bbn n SER 101 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bbn h ALA 102 N 0.86 0.02 0.33 7.33 0.00 -1.98 -3.27 119.26 122.55 2bbn h ALA 102 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 2bbn h ALA 102 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bbn h ALA 102 CO 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 179.25 179.87 2bbn h ALA 103 N 0.08 -0.45 -0.12 0.00 0.00 -1.99 -2.70 119.26 114.08 2bbn h ALA 103 Ca -0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2bbn h ALA 103 Cb 1.98 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 2bbn h ALA 103 CO 0.18 -0.53 -0.14 0.93 0.00 0.00 0.00 179.25 179.69 2bbn h GLU 104 N -0.89 -0.08 -0.69 0.00 5.08 -1.98 -1.43 114.58 114.59 2bbn h GLU 104 Ca -0.05 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2bbn h GLU 104 Cb 0.53 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 2bbn h GLU 104 CO 0.08 -0.05 -0.33 1.25 -1.00 0.00 0.00 179.01 178.95 2bbn h LEU 105 N -0.08 -1.17 -0.89 1.33 5.85 -1.68 0.16 115.31 118.83 2bbn h LEU 105 Ca 0.02 0.24 0.23 0.00 0.84 0.00 0.00 57.88 59.21 2bbn h LEU 105 Cb 0.14 0.60 -0.16 0.00 0.37 0.00 0.00 40.66 41.61 2bbn h LEU 105 CO -0.16 -0.30 0.05 -0.09 -0.34 0.00 0.00 178.44 177.61 2bbn h ARG 106 N -0.11 0.08 -0.22 1.25 9.65 -0.94 0.62 114.38 124.71 2bbn h ARG 106 Ca 0.27 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2bbn h ARG 106 Cb 0.56 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2bbn h ARG 106 CO -0.76 0.05 0.13 0.45 2.80 0.00 0.00 179.97 182.65 2bbn h HIS 107 N 0.08 0.28 0.27 2.20 3.86 0.06 -1.36 115.15 120.55 2bbn h HIS 107 Ca 0.52 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 2bbn h HIS 107 Cb 1.03 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.40 2bbn h HIS 107 CO -0.43 0.21 -0.13 0.28 0.86 0.00 0.00 177.93 178.72 2bbn h VAL 108 N 0.27 0.00 -1.35 2.45 2.07 -0.12 0.43 116.25 119.99 2bbn h VAL 108 Ca 0.08 -0.33 0.39 0.00 0.82 0.00 0.00 66.70 67.66 2bbn h VAL 108 Cb 0.01 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.73 2bbn h VAL 108 CO -0.02 0.00 1.06 0.24 0.02 0.00 0.00 177.57 178.88 2bbn h MET 109 N -0.69 0.00 0.06 1.57 2.07 -0.03 0.71 114.93 118.62 2bbn h MET 109 Ca -0.04 0.00 -0.31 0.00 -2.07 0.00 0.00 59.70 57.29 2bbn h MET 109 Cb 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.98 2bbn h MET 109 CO 0.06 0.00 -1.66 1.15 1.07 0.00 0.00 176.91 177.53 2bbn h THR 110 N 0.00 0.96 0.00 2.22 2.02 -1.22 -3.29 112.91 113.60 2bbn h THR 110 Ca 0.64 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2bbn h THR 110 Cb 2.76 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 71.74 2bbn h THR 110 CO -0.01 0.71 0.00 0.59 0.37 0.00 0.00 175.52 177.19 2bbn n ASN 111 N -3.28 0.00 -0.50 4.18 5.03 0.24 -1.17 115.26 119.76 2bbn n ASN 111 Ca -0.19 -0.42 0.11 0.00 0.87 0.00 0.00 54.58 54.96 2bbn n ASN 111 Cb 1.04 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.80 2bbn n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2bbn n LEU 112 N -0.77 2.02 -0.20 3.41 4.32 -1.12 -4.97 117.00 119.71 2bbn n LEU 112 Ca 0.04 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.26 2bbn n LEU 112 Cb 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2bbn n LEU 112 CO 0.03 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 2bbn n GLY 113 N 1.40 0.59 3.23 -0.72 0.00 -0.32 -5.08 105.19 104.29 2bbn n GLY 113 Ca 0.09 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.42 0.37 -0.22 1.61 2.12 -1.23 -5.10 118.70 115.84 2bbn s GLU 114 Ca 0.00 0.73 -0.13 0.00 0.36 0.00 0.00 54.97 55.93 2bbn s GLU 114 Cb 0.00 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 2bbn s GLU 114 CO 0.00 -0.34 0.27 0.21 -0.54 0.00 0.00 175.26 174.87 2bbn s LYS 115 N 2.83 4.13 0.34 4.30 2.20 -1.26 -4.22 119.74 128.05 2bbn s LYS 115 Ca 0.06 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 2bbn s LYS 115 Cb -0.11 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2bbn s LYS 115 CO -0.16 0.03 0.04 1.28 -0.36 0.00 0.00 175.35 176.17 2bbn n LEU 116 N 4.33 0.00 -4.98 5.43 4.32 -1.26 -5.16 117.00 119.69 2bbn n LEU 116 Ca -0.12 -2.28 -0.21 0.00 -0.02 0.00 0.00 56.01 53.37 2bbn n LEU 116 Cb 0.52 0.42 0.05 0.00 -1.62 0.00 0.00 43.42 42.78 2bbn n LEU 116 CO 0.37 -0.33 0.39 0.28 -1.22 0.00 0.00 177.39 176.88 2bbn s THR 117 N -2.43 2.59 -0.03 -5.08 -1.32 -1.26 -5.03 115.64 103.08 2bbn s THR 117 Ca 0.05 -0.66 -0.16 0.00 -1.21 0.00 0.00 61.69 59.72 2bbn s THR 117 Cb 0.00 -2.93 -0.32 0.00 -1.51 0.00 0.00 72.50 67.74 2bbn s THR 117 CO 0.04 0.00 0.80 -0.78 -2.21 0.00 0.00 174.62 172.47 2bbn h ASP 118 N -0.00 0.64 -1.13 8.08 3.58 -2.01 -3.31 116.42 122.26 2bbn h ASP 118 Ca -0.41 -0.92 0.36 0.00 0.42 0.00 0.00 57.03 56.48 2bbn h ASP 118 Cb 1.29 -0.21 -0.13 0.00 1.72 0.00 0.00 39.33 42.00 2bbn h ASP 118 CO 0.51 1.67 0.69 -0.08 -2.88 0.00 0.00 179.24 179.15 2bbn h GLU 119 N -0.03 0.22 0.00 0.28 4.81 -1.99 0.21 114.58 118.07 2bbn h GLU 119 Ca -0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2bbn h GLU 119 Cb 1.99 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.32 2bbn h GLU 119 CO 0.19 0.15 0.00 0.39 -0.73 0.00 0.00 179.01 179.00 2bbn n GLU 120 N -4.85 0.00 -0.27 1.92 4.71 -1.25 -2.33 120.64 118.58 2bbn n GLU 120 Ca 0.33 0.36 0.06 0.00 -0.01 0.00 0.00 57.16 57.90 2bbn n GLU 120 Cb 1.15 -1.23 0.17 0.00 -1.01 0.00 0.00 31.44 30.52 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 0.32 -0.17 2.62 2.07 -1.58 -1.16 116.25 118.35 2bbn h VAL 121 Ca 0.00 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2bbn h VAL 121 Cb 0.00 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 2bbn h VAL 121 CO 0.00 0.02 -0.54 -0.78 0.02 0.00 0.00 177.57 176.29 2bbn h ASP 122 N 0.11 -1.73 -0.78 0.57 3.58 -1.03 0.76 116.42 117.89 2bbn h ASP 122 Ca 0.43 0.21 0.09 0.00 0.42 0.00 0.00 57.03 58.18 2bbn h ASP 122 Cb 0.78 0.68 -0.07 0.00 1.72 0.00 0.00 39.33 42.44 2bbn h ASP 122 CO -0.68 -0.47 0.43 -0.33 -2.88 0.00 0.00 179.24 175.31 2bbn h GLU 123 N -0.56 0.71 0.17 0.28 5.08 -0.85 -0.42 114.58 119.00 2bbn h GLU 123 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 123 Cb 0.67 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2bbn h GLU 123 CO -0.45 0.47 -0.22 0.52 -1.00 0.00 0.00 179.01 178.33 2bbn h MET 124 N 0.73 -0.43 0.31 2.33 2.86 -0.24 -0.42 114.93 120.07 2bbn h MET 124 Ca 0.38 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.03 2bbn h MET 124 Cb 0.35 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2bbn h MET 124 CO -0.25 -0.28 -0.15 0.82 1.06 0.00 0.00 176.91 178.11 2bbn h ILE 125 N -0.44 0.71 -0.77 -1.22 2.04 -0.42 -2.91 117.51 114.50 2bbn h ILE 125 Ca 0.01 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 65.85 2bbn h ILE 125 Cb 0.44 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 2bbn h ILE 125 CO -0.09 0.03 0.32 0.03 0.00 0.00 0.00 178.15 178.45 2bbn h ARG 126 N -0.51 0.46 -0.59 2.37 -0.00 -0.98 0.45 114.38 115.59 2bbn h ARG 126 Ca -0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2bbn h ARG 126 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.24 2bbn h ARG 126 CO 0.07 0.30 0.00 0.39 0.00 0.00 0.00 179.97 180.73 2bbn n GLU 127 N -4.98 0.98 -0.03 0.04 1.02 -0.18 -2.92 120.64 114.57 2bbn n GLU 127 Ca 0.15 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 2bbn n GLU 127 Cb 0.42 -1.29 0.07 0.00 -0.02 0.00 0.00 31.44 30.62 2bbn n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bbn n ALA 128 N -0.19 2.44 -3.12 0.62 0.00 0.16 -4.94 120.51 115.47 2bbn n ALA 128 Ca 0.00 -0.68 -0.35 0.00 0.00 0.00 0.00 53.44 52.40 2bbn n ALA 128 Cb 0.15 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.03 4.89 -0.11 0.00 -1.08 -1.15 -4.86 116.67 113.33 2bbn s ASP 129 Ca 0.16 -0.21 -0.07 0.00 -0.52 0.00 0.00 52.55 51.91 2bbn s ASP 129 Cb 0.11 -1.85 -0.05 0.00 -1.46 0.00 0.00 42.92 39.67 2bbn s ASP 129 CO 0.16 0.03 -0.17 -0.38 0.52 0.00 0.00 175.17 175.33 2bbn n ILE 130 N 4.47 0.89 0.00 4.11 5.41 -1.26 -4.92 119.36 128.06 2bbn n ILE 130 Ca -0.17 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.50 2bbn n ILE 130 Cb 0.52 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 -3.69 0.00 0.00 4.38 5.68 -1.26 -4.99 116.55 116.67 2bbn n ASP 131 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 2bbn n ASP 131 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.18 -2.00 0.00 6.12 0.00 -1.26 -5.04 105.19 103.18 2bbn n GLY 132 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 2bbn n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 133 N 0.00 2.13 0.00 1.61 5.68 -1.26 -5.09 116.55 119.63 2bbn n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2bbn n ASP 133 Cb 0.00 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 134 N 1.74 2.18 0.00 6.12 0.00 -1.26 -5.04 105.19 108.93 2bbn n GLY 134 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.62 -3.12 1.61 3.00 -1.26 -4.88 117.38 113.35 2bbn n GLN 135 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2bbn n GLN 135 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 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 0.17 4.91 0.00 5.09 1.01 -1.22 -4.79 120.40 125.56 2bbn s VAL 136 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2bbn s VAL 136 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2bbn s VAL 136 CO 0.00 -0.28 0.00 -3.20 0.00 0.00 0.00 175.10 171.62 2bbn n ASN 137 N 5.99 0.00 0.17 3.32 2.85 -1.26 -2.74 115.26 123.59 2bbn n ASN 137 Ca -0.01 -0.47 -0.07 0.00 -0.11 0.00 0.00 54.58 53.92 2bbn n ASN 137 Cb 0.49 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.47 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 -0.32 -0.44 -0.27 1.20 3.20 -1.97 -3.07 116.97 115.30 2bbn h TYR 138 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2bbn h TYR 138 Cb 0.00 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2bbn h TYR 138 CO 0.00 -0.28 -0.16 -1.91 -1.64 0.00 0.00 178.16 174.17 2bbn n GLU 139 N -4.33 -0.12 -0.34 1.82 2.13 -1.26 0.14 120.64 118.68 2bbn n GLU 139 Ca -0.06 1.09 0.18 0.00 0.66 0.00 0.00 57.16 59.03 2bbn n GLU 139 Cb 0.19 -1.62 0.39 0.00 0.27 0.00 0.00 31.44 30.67 2bbn n GLU 139 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 140 N 0.00 0.53 -0.33 5.31 5.08 -1.90 0.32 114.58 123.59 2bbn h GLU 140 Ca 0.04 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2bbn h GLU 140 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2bbn h GLU 140 CO -0.26 0.35 -0.11 0.35 -1.00 0.00 0.00 179.01 178.34 2bbn h PHE 141 N 0.54 0.75 -0.26 4.33 3.57 -0.20 -2.76 116.94 122.92 2bbn h PHE 141 Ca 0.65 -0.17 -0.19 0.00 3.53 0.00 0.00 57.97 61.79 2bbn h PHE 141 Cb 1.26 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2bbn h PHE 141 CO -0.02 0.85 -0.59 0.28 -2.23 0.00 0.00 178.31 176.61 2bbn h VAL 142 N 0.44 1.28 -0.89 1.41 2.07 0.15 -2.86 116.25 117.85 2bbn h VAL 142 Ca 0.08 -1.77 0.11 0.00 0.82 0.00 0.00 66.70 65.94 2bbn h VAL 142 Cb 0.62 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 2bbn h VAL 142 CO 0.04 0.58 0.53 0.74 0.02 0.00 0.00 177.57 179.47 2bbn h THR 143 N 0.64 0.90 0.81 2.57 2.02 -0.44 -2.46 112.91 116.94 2bbn h THR 143 Ca 0.00 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2bbn h THR 143 Cb 1.19 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2bbn h THR 143 CO 0.13 0.16 -0.39 0.24 0.37 0.00 0.00 175.52 176.02 2bbn h MET 144 N 0.85 -1.05 -4.46 6.66 2.07 -1.38 -3.39 114.93 114.23 2bbn h MET 144 Ca 0.44 0.07 -0.71 0.00 -2.07 0.00 0.00 59.70 57.43 2bbn h MET 144 Cb 0.44 0.24 -0.28 0.00 -1.87 0.00 0.00 31.60 30.12 2bbn h MET 144 CO -0.27 -0.69 -0.48 -1.64 1.07 0.00 0.00 176.91 174.91 2bbn s MET 145 N -5.48 2.56 0.00 1.72 -1.94 -0.93 -4.88 119.30 110.35 2bbn s MET 145 Ca -0.17 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 2bbn s MET 145 Cb 0.02 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 33.11 2bbn s MET 145 CO 0.54 -0.96 0.00 -2.37 -0.01 0.00 0.00 175.02 172.22 2bbn n THR 146 N 4.89 0.00 -1.42 2.05 5.66 -1.19 -4.61 114.28 119.67 2bbn n THR 146 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2bbn n THR 146 Cb 0.43 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 2bbn n THR 146 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2bbn n SER 147 N -1.21 0.00 0.00 1.09 2.88 -1.26 -5.04 113.62 110.08 2bbn n SER 147 Ca 0.00 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 2bbn n SER 147 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10