#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 -0.03 0.00 9.92 -1.26 -4.83 116.55 120.36 2bbn n ASP 2 Ca 0.00 -1.00 0.14 0.00 -0.53 0.00 0.00 54.79 53.40 2bbn n ASP 2 Cb 0.00 0.00 0.59 0.00 -0.64 0.00 0.00 41.12 41.07 2bbn n ASP 2 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2bbn n GLN 3 N 0.00 0.26 0.18 -1.24 7.27 -1.26 -3.15 117.38 119.43 2bbn n GLN 3 Ca 0.00 -0.06 0.11 0.00 0.07 0.00 0.00 57.00 57.12 2bbn n GLN 3 Cb 0.37 -1.50 0.10 0.00 2.41 0.00 0.00 30.24 31.62 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2bbn h LEU 4 N 0.14 0.00 0.18 1.69 4.07 -2.09 -3.33 115.31 115.97 2bbn h LEU 4 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2bbn h LEU 4 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2bbn h LEU 4 CO 0.00 0.03 -0.09 0.71 -1.08 0.00 0.00 178.44 178.02 2bbn h THR 5 N 0.00 0.92 -0.30 0.22 1.35 -1.92 -3.45 112.91 109.73 2bbn h THR 5 Ca -0.00 -0.89 -0.09 0.00 -0.55 0.00 0.00 66.41 64.88 2bbn h THR 5 Cb 1.03 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 68.83 2bbn h THR 5 CO 0.00 0.19 -0.08 -0.62 -0.25 0.00 0.00 175.52 174.76 2bbn n GLU 6 N -5.00 -1.84 0.08 4.72 1.02 -1.25 -4.79 120.64 113.57 2bbn n GLU 6 Ca -0.09 0.57 -0.13 0.00 -0.02 0.00 0.00 57.16 57.49 2bbn n GLU 6 Cb 0.26 -4.76 -0.08 0.00 -0.02 0.00 0.00 31.44 26.84 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 -0.14 -0.23 3.49 5.08 -1.91 0.17 114.58 121.04 2bbn h GLU 7 Ca -0.09 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2bbn h GLU 7 Cb 0.90 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2bbn h GLU 7 CO 0.13 0.04 0.12 1.96 -1.00 0.00 0.00 179.01 180.26 2bbn h GLN 8 N -0.29 0.32 -0.61 2.33 4.20 -1.97 0.49 115.11 119.59 2bbn h GLN 8 Ca -0.01 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.72 2bbn h GLN 8 Cb 0.24 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 2bbn h GLN 8 CO 0.02 0.30 0.30 0.82 -0.67 0.00 0.00 178.83 179.61 2bbn h ILE 9 N 0.26 0.90 -0.25 2.54 2.04 -1.91 -1.07 117.51 120.02 2bbn h ILE 9 Ca 0.08 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2bbn h ILE 9 Cb 0.08 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2bbn h ILE 9 CO -0.01 0.10 -0.19 0.00 0.00 0.00 0.00 178.15 178.04 2bbn h ALA 10 N 1.35 1.21 0.78 1.87 0.00 -0.28 -2.61 119.26 121.58 2bbn h ALA 10 Ca 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2bbn h ALA 10 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2bbn h ALA 10 CO -0.22 0.51 -0.38 0.93 0.00 0.00 0.00 179.25 180.09 2bbn h GLU 11 N 0.40 -1.02 -0.93 0.00 4.39 0.39 -1.01 114.58 116.79 2bbn h GLU 11 Ca 0.07 0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.93 2bbn h GLU 11 Cb 0.57 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 29.38 2bbn h GLU 11 CO 0.04 -0.68 0.60 0.74 -1.16 0.00 0.00 179.01 178.55 2bbn h PHE 12 N -1.06 1.05 -0.96 4.33 0.04 -1.42 -0.09 116.94 118.83 2bbn h PHE 12 Ca -0.11 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.71 2bbn h PHE 12 Cb 0.81 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 2bbn h PHE 12 CO -0.03 0.50 0.63 0.87 -0.60 0.00 0.00 178.31 179.68 2bbn h LYS 13 N 0.98 1.22 -0.42 1.51 1.57 -1.11 -2.03 116.57 118.29 2bbn h LYS 13 Ca 0.43 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 2bbn h LYS 13 Cb 0.34 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2bbn h LYS 13 CO -0.18 0.81 0.09 1.49 -0.57 0.00 0.00 179.45 181.09 2bbn h GLU 14 N 1.26 0.67 -1.00 3.15 4.81 0.32 -2.22 114.58 121.57 2bbn h GLU 14 Ca 0.37 -0.17 0.24 0.00 -0.13 0.00 0.00 59.36 59.66 2bbn h GLU 14 Cb -0.08 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.12 2bbn h GLU 14 CO -0.10 0.69 0.64 0.00 -0.73 0.00 0.00 179.01 179.52 2bbn h ALA 15 N 0.95 2.07 -0.18 2.92 0.00 -0.64 0.73 119.26 125.11 2bbn h ALA 15 Ca 0.13 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2bbn h ALA 15 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2bbn h ALA 15 CO 0.00 -0.45 -0.50 0.74 0.00 0.00 0.00 179.25 179.05 2bbn h PHE 16 N 0.49 0.58 0.00 0.00 -1.00 -1.11 0.13 116.94 116.04 2bbn h PHE 16 Ca 0.57 -0.19 -0.07 0.00 2.81 0.00 0.00 57.97 61.09 2bbn h PHE 16 Cb 1.28 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 2bbn h PHE 16 CO -0.00 0.87 -0.32 0.66 -1.61 0.00 0.00 178.31 177.91 2bbn h SER 17 N 0.37 0.00 0.02 2.17 4.64 0.86 -0.70 113.55 120.91 2bbn h SER 17 Ca 0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 2bbn h SER 17 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2bbn h SER 17 CO 0.09 0.32 -0.64 0.25 -0.87 0.00 0.00 176.83 175.99 2bbn h LEU 18 N 0.00 0.05 0.59 5.97 5.85 -0.70 -3.39 115.31 123.69 2bbn h LEU 18 Ca -0.00 -0.80 -0.02 0.00 0.84 0.00 0.00 57.88 57.90 2bbn h LEU 18 Cb 0.61 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2bbn h LEU 18 CO 0.04 1.26 -0.44 0.15 -0.34 0.00 0.00 178.44 179.11 2bbn h PHE 19 N -0.91 -1.21 -2.03 1.25 3.04 -0.70 -3.35 116.94 113.04 2bbn h PHE 19 Ca -0.17 -0.00 -0.52 0.00 3.98 0.00 0.00 57.97 61.26 2bbn h PHE 19 Cb 1.21 0.45 -0.06 0.00 2.56 0.00 0.00 35.95 40.10 2bbn h PHE 19 CO 0.19 -0.63 1.18 0.34 -2.02 0.00 0.00 178.31 177.38 2bbn s ASP 20 N -3.99 5.83 0.00 0.41 -1.08 -0.27 -4.80 116.67 112.76 2bbn s ASP 20 Ca -0.16 -0.28 0.14 0.00 -0.52 0.00 0.00 52.55 51.72 2bbn s ASP 20 Cb 0.03 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.78 2bbn s ASP 20 CO 0.53 -2.05 1.28 0.29 0.52 0.00 0.00 175.17 175.74 2bbn n LYS 21 N 9.24 0.58 -0.05 4.34 5.02 -1.26 -2.47 118.16 133.57 2bbn n LYS 21 Ca 0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2bbn n LYS 21 Cb 0.50 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.87 0.39 0.00 4.39 8.00 -1.26 -4.99 116.55 122.21 2bbn n ASP 22 Ca 0.10 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2bbn n ASP 22 Cb 0.05 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 1.61 1.75 0.07 0.44 0.00 -1.03 -5.01 105.19 103.02 2bbn n GLY 23 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2bbn n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bbn n ASP 24 N 0.00 2.82 -1.55 1.61 8.00 -1.26 -5.09 116.55 121.09 2bbn n ASP 24 Ca 0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 54.79 55.43 2bbn n ASP 24 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 25 N 2.77 -0.65 3.43 0.44 0.00 -1.26 -5.04 105.19 104.87 2bbn n GLY 25 Ca -0.25 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.71 2bbn n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbn s THR 26 N -1.35 -0.44 -0.89 2.61 2.01 -1.26 -4.75 115.64 111.57 2bbn s THR 26 Ca 0.01 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.76 2bbn s THR 26 Cb -0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2bbn s THR 26 CO 0.03 0.00 1.67 -0.63 -0.69 0.00 0.00 174.62 175.00 2bbn s ILE 27 N 2.32 3.64 0.46 1.82 -1.09 -1.17 -4.83 121.20 122.36 2bbn s ILE 27 Ca -0.03 -0.34 0.08 0.00 -2.23 0.00 0.00 60.65 58.13 2bbn s ILE 27 Cb -0.06 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.36 2bbn s ILE 27 CO -0.17 -1.42 0.61 -0.89 -1.23 0.00 0.00 174.94 171.84 2bbn s THR 28 N 7.55 2.73 0.37 2.92 2.01 -1.26 -3.29 115.64 126.65 2bbn s THR 28 Ca 0.57 -1.04 0.19 0.00 0.31 0.00 0.00 61.69 61.72 2bbn s THR 28 Cb -0.05 -2.76 0.19 0.00 0.01 0.00 0.00 72.50 69.88 2bbn s THR 28 CO 0.01 0.00 1.93 0.71 -0.69 0.00 0.00 174.62 176.57 2bbn h THR 29 N 0.55 0.92 0.15 -0.82 1.35 -1.93 0.58 112.91 113.72 2bbn h THR 29 Ca -0.37 -0.93 -0.29 0.00 -0.55 0.00 0.00 66.41 64.26 2bbn h THR 29 Cb 1.28 1.54 0.02 0.00 -1.73 0.00 0.00 68.15 69.26 2bbn h THR 29 CO 0.45 0.24 -1.28 0.11 -0.25 0.00 0.00 175.52 174.79 2bbn h LYS 30 N 0.00 0.43 0.00 4.72 1.79 -1.96 0.43 116.57 121.99 2bbn h LYS 30 Ca -0.00 -0.67 -0.16 0.00 -2.18 0.00 0.00 60.65 57.64 2bbn h LYS 30 Cb 0.52 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 2bbn h LYS 30 CO 0.03 1.30 -0.80 0.93 -1.08 0.00 0.00 179.45 179.84 2bbn h GLU 31 N 0.15 0.00 0.21 3.15 5.08 -1.81 -1.94 114.58 119.42 2bbn h GLU 31 Ca -0.17 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.86 2bbn h GLU 31 Cb 1.98 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.25 2bbn h GLU 31 CO 0.23 0.70 -1.51 1.25 -1.00 0.00 0.00 179.01 178.68 2bbn h LEU 32 N 0.00 0.71 0.02 1.33 5.85 0.12 -2.74 115.31 120.60 2bbn h LEU 32 Ca -0.02 -0.82 -0.00 0.00 0.84 0.00 0.00 57.88 57.88 2bbn h LEU 32 Cb 1.58 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2bbn h LEU 32 CO 0.09 1.65 -0.01 1.23 -0.34 0.00 0.00 178.44 181.07 2bbn h GLY 33 N 0.60 -0.02 0.71 3.75 0.00 -0.97 0.21 103.07 107.35 2bbn h GLY 33 Ca -0.26 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.14 2bbn h GLY 33 CO 0.24 -0.01 0.42 0.00 0.00 0.00 0.00 176.54 177.19 2bbn h THR 34 N -0.56 1.00 0.37 4.70 1.03 -1.49 0.20 112.91 118.15 2bbn h THR 34 Ca -0.00 -0.26 -0.02 0.00 -0.01 0.00 0.00 66.41 66.12 2bbn h THR 34 Cb 0.54 0.16 0.00 0.00 -1.07 0.00 0.00 68.15 67.78 2bbn h THR 34 CO 0.00 0.14 -0.18 0.58 -0.01 0.00 0.00 175.52 176.06 2bbn h VAL 35 N 0.77 0.57 -0.83 0.00 2.07 -1.49 -2.24 116.25 115.10 2bbn h VAL 35 Ca 0.32 -0.57 0.17 0.00 0.82 0.00 0.00 66.70 67.44 2bbn h VAL 35 Cb 0.17 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 2bbn h VAL 35 CO -0.17 0.10 0.36 0.24 0.02 0.00 0.00 177.57 178.11 2bbn h MET 36 N -0.85 0.45 -1.00 1.57 2.86 -0.71 0.29 114.93 117.55 2bbn h MET 36 Ca -0.05 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2bbn h MET 36 Cb 0.53 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 2bbn h MET 36 CO 0.08 0.30 0.66 -0.09 1.06 0.00 0.00 176.91 178.92 2bbn h ARG 37 N 0.47 1.21 0.00 1.72 1.12 -0.53 0.24 114.38 118.61 2bbn h ARG 37 Ca 0.47 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 59.27 2bbn h ARG 37 Cb 0.78 -0.27 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 2bbn h ARG 37 CO -0.44 0.80 0.00 -1.13 -3.11 0.00 0.00 179.97 176.09 2bbn n SER 38 N -4.46 0.62 -0.08 -3.80 3.41 0.10 -1.63 113.62 107.78 2bbn n SER 38 Ca 0.14 0.74 -0.06 0.00 -0.26 0.00 0.00 58.87 59.43 2bbn n SER 38 Cb 0.12 -0.84 -0.16 0.00 -0.26 0.00 0.00 64.21 63.07 2bbn n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bbn n LEU 39 N -2.28 0.06 0.00 1.04 4.77 0.68 -4.95 117.00 116.32 2bbn n LEU 39 Ca -0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2bbn n LEU 39 Cb 0.10 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2bbn n LEU 39 CO 0.13 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2bbn n GLY 40 N 1.65 -1.55 2.20 -0.72 0.00 -0.18 -5.12 105.19 101.47 2bbn n GLY 40 Ca -0.27 0.58 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.01 -3.88 1.61 0.00 -1.01 -4.81 117.38 108.28 2bbn n GLN 41 Ca 0.00 0.67 -0.11 0.00 -0.00 0.00 0.00 57.00 57.56 2bbn n GLN 41 Cb 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 30.24 28.91 2bbn n GLN 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2bbn s ASN 42 N -3.86 0.05 -0.69 1.69 4.22 -1.26 -3.82 114.94 111.27 2bbn s ASN 42 Ca 0.00 -0.27 -0.26 0.00 -2.14 0.00 0.00 52.86 50.19 2bbn s ASN 42 Cb 0.00 0.21 -0.09 0.00 1.28 0.00 0.00 41.25 42.65 2bbn s ASN 42 CO 0.00 -0.40 2.28 -2.16 -2.04 0.00 0.00 177.10 174.79 2bbn s PRO 43 N -1.62 2.00 0.10 3.55 0.04 -1.26 -4.82 135.00 133.00 2bbn s PRO 43 Ca -0.13 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2bbn s PRO 43 Cb -0.07 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.76 2bbn s PRO 43 CO 0.00 -3.75 0.00 0.25 0.04 0.00 0.00 177.00 173.55 2bbn n THR 44 N 8.24 0.00 -0.03 1.26 -2.24 -1.26 -4.32 114.28 115.93 2bbn n THR 44 Ca 0.40 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 62.11 2bbn n THR 44 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 2bbn n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 45 N -0.04 0.28 -0.34 -0.78 1.02 -1.26 -4.54 120.64 114.97 2bbn n GLU 45 Ca 0.00 0.11 0.27 0.00 -0.02 0.00 0.00 57.16 57.52 2bbn n GLU 45 Cb 0.00 -0.98 0.52 0.00 -0.02 0.00 0.00 31.44 30.96 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bbn h ALA 46 N -0.51 2.09 -0.94 0.62 0.00 -2.00 1.03 119.26 119.55 2bbn h ALA 46 Ca -0.07 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2bbn h ALA 46 Cb 0.68 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2bbn h ALA 46 CO -0.05 -0.73 0.61 0.93 0.00 0.00 0.00 179.25 180.01 2bbn h GLU 47 N 0.24 0.94 0.16 0.00 4.39 -1.82 -1.83 114.58 116.67 2bbn h GLU 47 Ca 0.76 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.40 2bbn h GLU 47 Cb 1.88 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 2bbn h GLU 47 CO -0.61 0.62 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.72 2bbn h LEU 48 N 0.97 -0.18 -1.53 1.33 4.07 0.92 -2.45 115.31 118.44 2bbn h LEU 48 Ca 0.44 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 58.15 2bbn h LEU 48 Cb 0.39 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 2bbn h LEU 48 CO -0.20 0.23 0.55 1.56 -1.08 0.00 0.00 178.44 179.50 2bbn h GLN 49 N -0.63 0.00 0.16 1.13 4.20 -0.96 -0.64 115.11 118.36 2bbn h GLN 49 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2bbn h GLN 49 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2bbn h GLN 49 CO 0.04 0.00 -0.08 0.22 -0.67 0.00 0.00 178.83 178.34 2bbn h ASP 50 N 0.00 -0.18 0.00 1.46 3.58 -0.88 -2.57 116.42 117.83 2bbn h ASP 50 Ca 0.07 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2bbn h ASP 50 Cb 1.17 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2bbn h ASP 50 CO -0.00 0.17 0.11 0.23 -2.88 0.00 0.00 179.24 176.87 2bbn n MET 51 N -4.27 0.00 -0.02 0.28 2.81 -0.38 -0.85 117.12 114.69 2bbn n MET 51 Ca -0.03 0.40 -0.20 0.00 -1.81 0.00 0.00 57.70 56.05 2bbn n MET 51 Cb 0.09 -1.61 -0.13 0.00 -0.71 0.00 0.00 33.22 30.85 2bbn n MET 51 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2bbn h ILE 52 N 0.00 1.13 0.02 2.02 1.08 -1.15 -3.37 117.51 117.23 2bbn h ILE 52 Ca 0.00 -2.36 -0.20 0.00 -0.39 0.00 0.00 64.86 61.91 2bbn h ILE 52 Cb 0.22 2.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 2bbn h ILE 52 CO 0.00 0.62 -0.93 -1.13 -0.69 0.00 0.00 178.15 176.02 2bbn h ASN 53 N -0.52 0.19 0.00 1.72 -0.73 -0.57 -1.88 115.58 113.79 2bbn h ASN 53 Ca -0.27 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 57.74 2bbn h ASN 53 Cb 1.58 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 40.11 2bbn h ASN 53 CO 0.01 1.02 0.00 -0.62 -0.37 0.00 0.00 177.43 177.47 2bbn n GLU 54 N -3.58 0.59 0.00 6.67 1.02 -0.23 -3.16 120.64 121.96 2bbn n GLU 54 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2bbn n GLU 54 Cb 0.85 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2bbn n VAL 55 N 1.01 0.00 -2.18 2.62 3.14 -1.23 -5.01 118.33 116.68 2bbn n VAL 55 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 2bbn n VAL 55 Cb 0.30 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.05 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2bbn s ASP 56 N -0.48 5.96 0.09 6.55 -1.08 -0.71 -4.88 116.67 122.12 2bbn s ASP 56 Ca 0.00 0.82 -0.29 0.00 -0.52 0.00 0.00 52.55 52.56 2bbn s ASP 56 Cb 0.00 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.79 2bbn s ASP 56 CO 0.00 -1.74 1.64 0.00 0.52 0.00 0.00 175.17 175.59 2bbn h ALA 57 N 12.25 -0.59 -1.30 3.66 0.00 -1.90 -3.31 119.26 128.07 2bbn h ALA 57 Ca -0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bbn h ALA 57 Cb 1.13 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2bbn h ALA 57 CO 1.10 -0.86 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 2bbn n ASP 58 N -5.39 0.00 0.00 0.00 9.92 -1.26 -4.97 116.55 114.85 2bbn n ASP 58 Ca -0.09 0.78 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 2bbn n ASP 58 Cb 0.30 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.77 0.73 0.49 0.44 0.00 -1.25 -4.99 105.19 99.85 2bbn n GLY 59 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.36 2bbn n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bbn h ASN 60 N 0.00 0.22 0.00 1.61 4.21 -1.93 -3.44 115.58 116.25 2bbn h ASN 60 Ca 0.00 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.58 2bbn h ASN 60 Cb 0.00 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2bbn h ASN 60 CO 0.00 -0.04 0.00 0.61 -1.29 0.00 0.00 177.43 176.71 2bbn n GLY 61 N -1.61 1.16 3.17 2.83 0.00 -1.26 -5.09 105.19 104.38 2bbn n GLY 61 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.03 -0.22 2.61 -4.23 -1.26 -4.37 115.64 106.19 2bbn s THR 62 Ca 0.00 -0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.08 2bbn s THR 62 Cb 0.00 -0.46 -0.03 0.00 1.34 0.00 0.00 72.50 73.36 2bbn s THR 62 CO 0.00 -0.13 0.57 -0.63 -0.54 0.00 0.00 174.62 173.89 2bbn s ILE 63 N -0.49 5.05 0.00 2.99 1.01 -1.21 -4.91 121.20 123.64 2bbn s ILE 63 Ca -0.06 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.64 2bbn s ILE 63 Cb -0.04 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2bbn s ILE 63 CO 0.02 0.11 0.00 -0.67 0.00 0.00 0.00 174.94 174.39 2bbn n ASP 64 N 5.23 0.00 -0.06 3.58 2.03 -1.26 -3.02 116.55 123.04 2bbn n ASP 64 Ca -0.03 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.12 2bbn n ASP 64 Cb 0.50 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.76 2bbn n ASP 64 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2bbn n PHE 65 N 0.00 0.58 -0.07 -0.67 3.72 -1.26 -4.00 117.46 115.76 2bbn n PHE 65 Ca 0.00 0.15 -0.12 0.00 -0.05 0.00 0.00 57.45 57.43 2bbn n PHE 65 Cb 0.00 -1.09 0.01 0.00 -0.94 0.00 0.00 39.48 37.47 2bbn n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bbn h PRO 66 N 0.02 0.81 0.52 -1.08 0.14 -1.99 -2.83 132.00 127.58 2bbn h PRO 66 Ca -0.47 -0.45 -0.02 0.00 0.14 0.00 0.00 66.00 65.20 2bbn h PRO 66 Cb 2.02 0.03 -0.00 0.00 0.14 0.00 0.00 31.00 33.19 2bbn h PRO 66 CO 0.02 1.08 -0.30 0.93 0.14 0.00 0.00 178.00 179.87 2bbn h GLU 67 N 0.65 -0.73 -0.88 0.86 5.08 -1.95 0.12 114.58 117.72 2bbn h GLU 67 Ca 0.04 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.64 2bbn h GLU 67 Cb 1.01 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 30.27 2bbn h GLU 67 CO 0.10 -0.49 -0.14 0.35 -1.00 0.00 0.00 179.01 177.83 2bbn h PHE 68 N -0.76 -0.33 -0.57 4.33 3.04 -1.69 0.62 116.94 121.58 2bbn h PHE 68 Ca -0.07 0.07 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2bbn h PHE 68 Cb 0.60 0.28 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 2bbn h PHE 68 CO -0.00 -0.37 0.32 -0.07 -2.02 0.00 0.00 178.31 176.17 2bbn h LEU 69 N 0.02 0.50 -0.82 0.59 4.07 -1.22 -0.94 115.31 117.50 2bbn h LEU 69 Ca 0.45 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.45 2bbn h LEU 69 Cb 0.76 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.36 2bbn h LEU 69 CO -0.87 0.34 0.53 0.74 -1.08 0.00 0.00 178.44 178.10 2bbn h THR 70 N 0.63 1.16 0.00 0.22 2.02 0.29 2.41 112.91 119.63 2bbn h THR 70 Ca 0.24 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2bbn h THR 70 Cb 0.09 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2bbn h THR 70 CO -0.13 0.19 -0.33 -0.03 0.37 0.00 0.00 175.52 175.59 2bbn h MET 71 N 1.06 0.00 -0.01 6.66 1.85 -0.29 -2.22 114.93 121.97 2bbn h MET 71 Ca 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.41 2bbn h MET 71 Cb -0.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2bbn h MET 71 CO -0.10 0.33 -0.38 -0.12 -0.40 0.00 0.00 176.91 176.24 2bbn n MET 72 N -4.05 1.55 0.03 0.39 0.00 -0.43 -4.31 117.12 110.31 2bbn n MET 72 Ca -0.02 -0.84 0.11 0.00 0.00 0.00 0.00 57.70 56.95 2bbn n MET 72 Cb 0.38 -1.33 -0.11 0.00 0.00 0.00 0.00 33.22 32.17 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 -0.12 2.71 -2.66 -5.12 0.00 0.80 -4.85 120.51 111.27 2bbn n ALA 73 Ca 0.07 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 2bbn n ALA 73 Cb 0.37 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 2bbn n ALA 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2bbn s ARG 74 N -3.46 4.12 -0.31 0.00 1.04 -0.86 -5.02 118.95 114.45 2bbn s ARG 74 Ca -0.05 -0.01 0.05 0.00 -1.04 0.00 0.00 55.73 54.69 2bbn s ARG 74 Cb 0.12 -3.55 0.19 0.00 -2.04 0.00 0.00 34.95 29.67 2bbn s ARG 74 CO 0.86 -0.02 0.54 -1.59 -0.04 0.00 0.00 175.30 175.06 2bbn s LYS 75 N 1.28 0.56 1.10 3.89 -2.85 -1.26 -4.95 119.74 117.52 2bbn s LYS 75 Ca 0.14 0.29 -0.17 0.00 -1.00 0.00 0.00 55.97 55.23 2bbn s LYS 75 Cb -0.14 0.06 0.17 0.00 -2.06 0.00 0.00 37.83 35.86 2bbn s LYS 75 CO 0.07 -1.07 0.26 -0.12 0.10 0.00 0.00 175.35 174.59 2bbn n MET 76 N 5.23 -2.34 0.20 1.78 1.56 -1.26 -4.71 117.12 117.57 2bbn n MET 76 Ca 0.05 -0.68 0.12 0.00 -0.27 0.00 0.00 57.70 56.92 2bbn n MET 76 Cb 0.53 -1.61 0.65 0.00 2.15 0.00 0.00 33.22 34.94 2bbn n MET 76 CO 0.00 0.00 0.00 1.57 -0.73 0.00 0.00 175.97 176.81 2bbn h LYS 77 N -2.58 0.00 -5.84 2.12 2.10 -2.06 -3.40 116.57 106.92 2bbn h LYS 77 Ca -0.37 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.70 2bbn h LYS 77 Cb 1.05 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.31 2bbn h LYS 77 CO 0.25 0.00 -0.11 -0.51 -2.00 0.00 0.00 179.45 177.08 2bbn s ASP 78 N -4.10 6.76 1.02 7.07 1.01 -1.26 -5.05 116.67 122.12 2bbn s ASP 78 Ca -0.03 0.91 -0.12 0.00 0.71 0.00 0.00 52.55 54.03 2bbn s ASP 78 Cb 0.07 -2.31 0.18 0.00 1.01 0.00 0.00 42.92 41.87 2bbn s ASP 78 CO 0.22 0.03 0.95 0.35 0.21 0.00 0.00 175.17 176.93 2bbn n THR 79 N 3.38 0.00 -1.60 -1.27 -2.24 -1.26 -4.87 114.28 106.42 2bbn n THR 79 Ca -0.07 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 2bbn n THR 79 Cb 0.52 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 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 -3.99 6.74 -1.35 3.42 8.00 -1.26 -4.99 116.55 123.11 2bbn n ASP 80 Ca 0.08 -3.34 0.16 0.00 0.71 0.00 0.00 54.79 52.40 2bbn n ASP 80 Cb 0.53 -1.20 -0.07 0.00 -0.02 0.00 0.00 41.12 40.36 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2bbn n SER 81 N 0.59 -7.52 0.00 -2.24 2.88 -1.26 -4.79 113.62 101.29 2bbn n SER 81 Ca 0.50 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 2bbn n SER 81 Cb 0.48 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 2bbn n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bbn n GLU 82 N -4.09 5.46 0.27 -1.46 -0.58 -1.26 -4.64 120.64 114.34 2bbn n GLU 82 Ca -0.05 -0.08 0.09 0.00 -0.42 0.00 0.00 57.16 56.70 2bbn n GLU 82 Cb 0.65 -0.57 0.70 0.00 -0.57 0.00 0.00 31.44 31.65 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 0.00 3.49 5.08 -2.00 -2.72 114.58 118.43 2bbn h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bbn h GLU 83 CO 0.00 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.10 2bbn n GLU 84 N -4.38 0.00 -0.27 2.33 2.13 -1.26 -1.29 120.64 117.89 2bbn n GLU 84 Ca -0.03 0.49 0.05 0.00 0.66 0.00 0.00 57.16 58.33 2bbn n GLU 84 Cb 0.09 -1.47 0.15 0.00 0.27 0.00 0.00 31.44 30.49 2bbn n GLU 84 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2bbn h ILE 85 N 0.00 0.26 -0.36 6.31 5.03 -1.87 0.73 117.51 127.60 2bbn h ILE 85 Ca 0.00 -0.02 0.07 0.00 -0.12 0.00 0.00 64.86 64.80 2bbn h ILE 85 Cb 0.00 0.20 -0.09 0.00 -3.03 0.00 0.00 36.82 33.90 2bbn h ILE 85 CO 0.00 0.01 -0.32 -0.09 -0.68 0.00 0.00 178.15 177.07 2bbn h ARG 86 N 0.06 -0.26 -0.59 2.37 2.43 -1.37 -0.38 114.38 116.64 2bbn h ARG 86 Ca 0.42 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.73 2bbn h ARG 86 Cb 0.73 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.24 2bbn h ARG 86 CO -0.75 -0.17 -0.04 0.93 -1.51 0.00 0.00 179.97 178.43 2bbn h GLU 87 N -0.27 0.08 -0.90 0.20 3.07 0.50 0.24 114.58 117.51 2bbn h GLU 87 Ca 0.16 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.11 2bbn h GLU 87 Cb 0.53 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.35 2bbn h GLU 87 CO -0.51 0.05 0.55 0.00 -1.40 0.00 0.00 179.01 177.70 2bbn h ALA 88 N 1.55 1.29 -0.84 3.43 0.00 -0.71 0.01 119.26 123.99 2bbn h ALA 88 Ca 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2bbn h ALA 88 Cb 0.47 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2bbn h ALA 88 CO -0.53 0.22 0.43 0.35 0.00 0.00 0.00 179.25 179.72 2bbn h PHE 89 N 0.94 1.17 -0.55 0.00 3.57 0.73 -2.03 116.94 120.77 2bbn h PHE 89 Ca 0.42 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 2bbn h PHE 89 Cb 0.32 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2bbn h PHE 89 CO -0.03 0.83 0.14 -0.09 -2.23 0.00 0.00 178.31 176.93 2bbn h ARG 90 N 1.18 0.84 -0.64 1.11 9.65 0.69 -2.53 114.38 124.69 2bbn h ARG 90 Ca 0.29 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2bbn h ARG 90 Cb 0.08 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2bbn h ARG 90 CO -0.04 0.76 0.31 0.28 2.80 0.00 0.00 179.97 184.08 2bbn h VAL 91 N 0.81 1.22 0.21 0.20 2.07 -0.53 -3.01 116.25 117.23 2bbn h VAL 91 Ca 0.18 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2bbn h VAL 91 Cb 0.29 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2bbn h VAL 91 CO -0.00 0.25 -0.10 -0.26 0.02 0.00 0.00 177.57 177.48 2bbn h PHE 92 N 0.88 -0.27 -2.94 1.57 -1.00 -1.11 -3.29 116.94 110.79 2bbn h PHE 92 Ca 0.22 -0.01 -0.78 0.00 2.81 0.00 0.00 57.97 60.22 2bbn h PHE 92 Cb 0.11 0.09 -0.24 0.00 3.61 0.00 0.00 35.95 39.52 2bbn h PHE 92 CO 0.00 -0.11 0.86 -3.47 -1.61 0.00 0.00 178.31 173.99 2bbn n ASP 93 N -5.18 5.45 -0.37 2.17 2.03 -0.98 -4.83 116.55 114.84 2bbn n ASP 93 Ca -0.09 -3.04 -0.00 0.00 0.52 0.00 0.00 54.79 52.18 2bbn n ASP 93 Cb 0.16 -1.45 0.14 0.00 -0.72 0.00 0.00 41.12 39.25 2bbn n ASP 93 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2bbn h LYS 94 N 6.73 1.22 -7.23 -0.67 2.10 -1.63 -3.43 116.57 113.66 2bbn h LYS 94 Ca 0.24 -0.07 -0.42 0.00 -2.00 0.00 0.00 60.65 58.39 2bbn h LYS 94 Cb 0.85 -0.28 0.20 0.00 -0.90 0.00 0.00 32.23 32.10 2bbn h LYS 94 CO 1.14 0.81 0.05 0.16 -2.00 0.00 0.00 179.45 179.61 2bbn s ASP 95 N -6.00 0.85 -1.11 7.07 1.47 -1.26 -4.90 116.67 112.79 2bbn s ASP 95 Ca -0.13 1.06 -0.03 0.00 1.18 0.00 0.00 52.55 54.63 2bbn s ASP 95 Cb 0.19 -1.60 0.23 0.00 -0.34 0.00 0.00 42.92 41.40 2bbn s ASP 95 CO 0.81 -4.22 2.10 0.61 0.68 0.00 0.00 175.17 175.16 2bbn n GLY 96 N 0.04 5.67 0.59 2.12 0.00 -1.26 -4.48 105.19 107.86 2bbn n GLY 96 Ca 0.08 -2.34 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 2bbn n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bbn n ASN 97 N 0.65 1.15 0.00 1.61 5.15 -1.26 -5.04 115.26 117.52 2bbn n ASN 97 Ca 0.54 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 2bbn n ASN 97 Cb 0.27 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bbn n GLY 98 N 2.29 3.10 3.89 8.20 0.00 -1.26 -5.04 105.19 116.36 2bbn n GLY 98 Ca -0.19 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.42 3.58 0.34 1.61 0.08 -1.26 -4.82 117.98 117.09 2bbn s PHE 99 Ca 0.00 0.50 -0.27 0.00 0.12 0.00 0.00 56.93 57.28 2bbn s PHE 99 Cb 0.00 -1.93 -0.09 0.00 -0.57 0.00 0.00 43.02 40.43 2bbn s PHE 99 CO 0.00 0.67 1.10 0.42 -0.10 0.00 0.00 175.22 177.31 2bbn s ILE 100 N -1.21 3.47 0.09 0.64 1.01 -1.00 -4.85 121.20 119.35 2bbn s ILE 100 Ca 0.23 1.31 0.08 0.00 0.00 0.00 0.00 60.65 62.28 2bbn s ILE 100 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2bbn s ILE 100 CO 0.13 0.19 -0.22 -0.44 0.00 0.00 0.00 174.94 174.60 2bbn s SER 101 N -1.15 2.62 0.43 3.58 0.01 -1.26 -3.40 113.70 114.53 2bbn s SER 101 Ca 0.51 -0.64 0.23 0.00 1.31 0.00 0.00 55.95 57.36 2bbn s SER 101 Cb -0.29 -0.17 1.22 0.00 0.21 0.00 0.00 66.02 66.99 2bbn s SER 101 CO 0.36 0.11 1.75 0.00 0.41 0.00 0.00 173.24 175.88 2bbn h ALA 102 N 4.32 2.44 0.01 1.44 0.00 -1.97 0.15 119.26 125.65 2bbn h ALA 102 Ca -0.46 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bbn h ALA 102 Cb 1.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bbn h ALA 102 CO 0.41 -0.87 -0.00 0.00 0.00 0.00 0.00 179.25 178.78 2bbn h ALA 103 N 1.59 -0.02 -1.51 0.00 0.00 -1.96 -2.86 119.26 114.50 2bbn h ALA 103 Ca 0.62 -0.00 0.45 0.00 0.00 0.00 0.00 54.91 55.98 2bbn h ALA 103 Cb 1.78 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 2bbn h ALA 103 CO -0.27 -0.02 1.05 0.93 0.00 0.00 0.00 179.25 180.95 2bbn h GLU 104 N -0.47 0.05 0.28 0.00 5.08 -1.89 -0.18 114.58 117.45 2bbn h GLU 104 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2bbn h GLU 104 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bbn h GLU 104 CO 0.00 0.03 -0.13 1.25 -1.00 0.00 0.00 179.01 179.16 2bbn h LEU 105 N 0.05 -0.32 -0.77 1.33 5.85 -0.80 -2.83 115.31 117.82 2bbn h LEU 105 Ca 0.78 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.73 2bbn h LEU 105 Cb 2.86 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 43.94 2bbn h LEU 105 CO -0.14 -0.11 1.15 -1.14 -0.34 0.00 0.00 178.44 177.86 2bbn n ARG 106 N -3.67 0.02 -0.04 1.25 0.63 -0.12 0.11 116.66 114.83 2bbn n ARG 106 Ca -0.05 0.98 -0.00 0.00 -0.92 0.00 0.00 57.85 57.86 2bbn n ARG 106 Cb 0.15 -2.49 -0.00 0.00 0.45 0.00 0.00 32.46 30.57 2bbn n ARG 106 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2bbn h HIS 107 N 0.00 0.00 0.00 -0.14 2.76 -1.33 -2.50 115.15 113.94 2bbn h HIS 107 Ca 0.37 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.52 2bbn h HIS 107 Cb 2.65 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 31.61 2bbn h HIS 107 CO 0.00 0.00 -0.08 -0.24 -1.30 0.00 0.00 177.93 176.31 2bbn h VAL 108 N -0.83 0.23 0.00 5.26 3.04 -0.66 -2.70 116.25 120.59 2bbn h VAL 108 Ca 0.00 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 2bbn h VAL 108 Cb 0.00 1.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2bbn h VAL 108 CO 0.00 0.08 -0.10 0.24 -1.01 0.00 0.00 177.57 176.78 2bbn h MET 109 N 0.00 0.00 -0.89 4.17 2.07 -0.47 -3.32 114.93 116.49 2bbn h MET 109 Ca -0.00 0.00 0.23 0.00 -2.07 0.00 0.00 59.70 57.86 2bbn h MET 109 Cb 0.54 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.22 2bbn h MET 109 CO 0.01 0.23 0.61 0.00 1.07 0.00 0.00 176.91 178.83 2bbn h THR 110 N -1.00 0.61 -0.91 2.22 1.03 -1.49 0.22 112.91 113.60 2bbn h THR 110 Ca -0.01 -0.07 0.14 0.00 -0.01 0.00 0.00 66.41 66.46 2bbn h THR 110 Cb 0.29 0.40 -0.09 0.00 -1.07 0.00 0.00 68.15 67.68 2bbn h THR 110 CO -0.01 0.04 0.52 -1.13 -0.01 0.00 0.00 175.52 174.93 2bbn h ASN 111 N 0.19 0.69 0.00 0.00 -0.00 -1.57 -3.40 115.58 111.49 2bbn h ASN 111 Ca 0.44 0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.82 2bbn h ASN 111 Cb 1.43 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.71 2bbn h ASN 111 CO -0.09 0.32 0.00 0.18 -0.00 0.00 0.00 177.43 177.83 2bbn n LEU 112 N -4.78 0.00 0.00 0.34 4.77 0.77 -5.02 117.00 113.08 2bbn n LEU 112 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2bbn n LEU 112 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2bbn n LEU 112 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2bbn n GLY 113 N 0.46 -0.07 3.51 -0.72 0.00 -1.26 -4.88 105.19 102.22 2bbn n GLY 113 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 2bbn n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bbn n GLU 114 N -1.46 0.82 -3.58 1.61 2.13 -1.26 -4.91 120.64 113.98 2bbn n GLU 114 Ca 0.00 0.26 -0.36 0.00 0.66 0.00 0.00 57.16 57.71 2bbn n GLU 114 Cb 0.00 -2.08 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 2bbn n GLU 114 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2bbn s LYS 115 N 5.10 3.79 0.00 5.31 2.20 -1.26 -4.64 119.74 130.24 2bbn s LYS 115 Ca 1.08 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 2bbn s LYS 115 Cb -1.10 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2bbn s LYS 115 CO 0.60 0.65 0.00 1.28 -0.36 0.00 0.00 175.35 177.52 2bbn n LEU 116 N 1.46 0.00 0.00 5.43 4.77 -1.26 -5.07 117.00 122.32 2bbn n LEU 116 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2bbn n LEU 116 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2bbn n LEU 116 CO 0.39 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.52 2bbn n THR 117 N 0.00 0.00 0.00 -5.08 5.66 -1.26 -5.05 114.28 108.55 2bbn n THR 117 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2bbn n THR 117 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2bbn n THR 117 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2bbn n ASP 118 N 0.00 2.88 0.20 1.09 2.03 -1.26 -4.57 116.55 116.92 2bbn n ASP 118 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2bbn n ASP 118 Cb 0.00 0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2bbn h GLU 119 N 0.00 -0.54 0.38 -0.67 4.57 -1.99 -1.86 114.58 114.46 2bbn h GLU 119 Ca 0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2bbn h GLU 119 Cb 0.61 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 2bbn h GLU 119 CO 0.00 -0.25 -0.31 1.49 -1.18 0.00 0.00 179.01 178.76 2bbn h GLU 120 N -1.02 -0.67 -0.63 1.92 4.22 -1.98 -2.61 114.58 113.81 2bbn h GLU 120 Ca -0.06 0.05 0.12 0.00 0.08 0.00 0.00 59.36 59.54 2bbn h GLU 120 Cb 0.54 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 2bbn h GLU 120 CO 0.09 -0.45 -0.29 0.28 -2.18 0.00 0.00 179.01 176.47 2bbn h VAL 121 N -0.69 0.20 -0.75 0.32 2.07 -1.81 0.19 116.25 115.78 2bbn h VAL 121 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 2bbn h VAL 121 Cb 0.61 0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 30.43 2bbn h VAL 121 CO -0.02 0.00 -0.14 -0.78 0.02 0.00 0.00 177.57 176.65 2bbn h ASP 122 N -0.12 -0.62 -0.43 0.57 1.82 -0.97 1.23 116.42 117.91 2bbn h ASP 122 Ca 0.26 0.22 0.04 0.00 -0.39 0.00 0.00 57.03 57.16 2bbn h ASP 122 Cb 0.54 0.44 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2bbn h ASP 122 CO -0.70 -0.24 0.29 -0.33 -1.61 0.00 0.00 179.24 176.65 2bbn h GLU 123 N 0.02 0.41 0.57 0.28 5.08 -0.36 -0.99 114.58 119.59 2bbn h GLU 123 Ca 0.37 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2bbn h GLU 123 Cb 0.60 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2bbn h GLU 123 CO -0.75 0.27 -0.27 1.98 -1.00 0.00 0.00 179.01 179.24 2bbn h MET 124 N 0.43 -0.73 -0.06 2.33 4.05 0.23 -2.78 114.93 118.40 2bbn h MET 124 Ca 0.18 0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2bbn h MET 124 Cb 0.18 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2bbn h MET 124 CO -0.04 -0.49 0.20 0.82 0.23 0.00 0.00 176.91 177.63 2bbn h ILE 125 N -1.16 0.12 0.22 1.77 2.04 -0.75 -2.49 117.51 117.25 2bbn h ILE 125 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2bbn h ILE 125 Cb 0.58 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2bbn h ILE 125 CO 0.13 0.00 -0.10 0.03 0.00 0.00 0.00 178.15 178.20 2bbn h ARG 126 N 0.00 -0.28 -1.02 2.37 2.47 -1.04 0.85 114.38 117.73 2bbn h ARG 126 Ca 0.03 0.02 0.26 0.00 -1.26 0.00 0.00 59.98 59.03 2bbn h ARG 126 Cb 0.43 0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 28.70 2bbn h ARG 126 CO -0.00 -0.19 0.63 1.49 0.56 0.00 0.00 179.97 182.46 2bbn h GLU 127 N -0.48 0.48 0.02 0.04 4.81 -1.21 0.33 114.58 118.57 2bbn h GLU 127 Ca -0.03 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.93 2bbn h GLU 127 Cb 0.22 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2bbn h GLU 127 CO 0.05 0.32 -1.01 0.00 -0.73 0.00 0.00 179.01 177.64 2bbn h ALA 128 N 1.70 0.28 -2.80 2.92 0.00 -1.47 -3.42 119.26 116.46 2bbn h ALA 128 Ca 0.64 -0.73 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 2bbn h ALA 128 Cb 1.37 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.97 2bbn h ALA 128 CO -0.42 0.81 -0.51 0.34 0.00 0.00 0.00 179.25 179.46 2bbn s ASP 129 N -7.14 5.89 -0.00 0.00 -1.08 0.30 -4.89 116.67 109.73 2bbn s ASP 129 Ca -0.06 -0.37 0.10 0.00 -0.52 0.00 0.00 52.55 51.70 2bbn s ASP 129 Cb 0.08 -2.09 -0.12 0.00 -1.46 0.00 0.00 42.92 39.33 2bbn s ASP 129 CO 0.88 -0.19 0.44 -0.38 0.52 0.00 0.00 175.17 176.44 2bbn n ILE 130 N 5.06 0.00 0.02 4.11 5.41 -1.25 -4.50 119.36 128.21 2bbn n ILE 130 Ca -0.13 -0.25 -0.01 0.00 1.00 0.00 0.00 62.75 63.35 2bbn n ILE 130 Cb 0.50 0.98 0.26 0.00 -0.71 0.00 0.00 39.64 40.67 2bbn n ILE 130 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2bbn h ASP 131 N 0.00 0.44 0.00 4.38 3.32 -1.92 -3.46 116.42 119.18 2bbn h ASP 131 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2bbn h ASP 131 Cb 0.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2bbn h ASP 131 CO 0.00 0.61 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 2bbn n GLY 132 N -0.63 0.92 0.08 2.75 0.00 -1.26 -4.96 105.19 102.09 2bbn n GLY 132 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 0.09 0.76 -0.17 1.61 5.68 -1.26 -4.99 116.55 118.27 2bbn n ASP 133 Ca 0.00 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.65 2bbn n ASP 133 Cb 0.00 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 1.58 0.90 2.97 6.12 0.00 -1.26 -5.07 105.19 110.43 2bbn n GLY 134 Ca -0.19 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.35 0.13 0.12 1.61 -0.21 -1.26 -4.74 119.66 111.96 2bbn s GLN 135 Ca 0.00 0.57 -0.17 0.00 0.02 0.00 0.00 55.36 55.78 2bbn s GLN 135 Cb 0.00 -0.14 -0.07 0.00 1.00 0.00 0.00 33.01 33.80 2bbn s GLN 135 CO 0.00 -0.23 0.58 0.08 -2.12 0.00 0.00 175.29 173.60 2bbn s VAL 136 N 1.80 4.76 0.22 1.09 1.01 -1.22 -4.91 120.40 123.16 2bbn s VAL 136 Ca -0.04 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2bbn s VAL 136 Cb -0.11 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2bbn s VAL 136 CO -0.08 0.39 0.17 0.21 0.00 0.00 0.00 175.10 175.79 2bbn s ASN 137 N -1.42 0.42 0.34 3.32 3.84 -1.26 -2.38 114.94 117.81 2bbn s ASN 137 Ca 0.34 -1.45 0.19 0.00 0.21 0.00 0.00 52.86 52.16 2bbn s ASN 137 Cb -0.17 0.42 1.24 0.00 -0.55 0.00 0.00 41.25 42.18 2bbn s ASN 137 CO 0.19 -0.89 1.47 0.00 -2.79 0.00 0.00 177.10 175.08 2bbn n TYR 138 N -0.34 1.07 0.00 0.43 4.19 -1.26 -0.85 117.16 120.41 2bbn n TYR 138 Ca 0.03 1.10 0.00 0.00 3.31 0.00 0.00 57.90 62.34 2bbn n TYR 138 Cb 0.65 -1.50 0.00 0.00 0.49 0.00 0.00 39.34 38.99 2bbn n TYR 138 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 2bbn n GLU 139 N -5.11 0.00 0.31 2.98 -0.58 -1.26 -0.23 120.64 116.76 2bbn n GLU 139 Ca 0.35 0.01 0.08 0.00 -0.42 0.00 0.00 57.16 57.18 2bbn n GLU 139 Cb 1.19 -0.68 0.45 0.00 -0.57 0.00 0.00 31.44 31.83 2bbn n GLU 139 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 140 N 0.00 0.00 0.05 3.49 5.08 -1.85 0.18 114.58 121.52 2bbn h GLU 140 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 140 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bbn h GLU 140 CO 0.00 0.00 -0.02 0.35 -1.00 0.00 0.00 179.01 178.34 2bbn h PHE 141 N 0.00 -0.06 -0.00 4.33 3.04 -0.85 -2.09 116.94 121.32 2bbn h PHE 141 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2bbn h PHE 141 Cb 1.19 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2bbn h PHE 141 CO 0.00 0.38 -0.02 1.55 -2.02 0.00 0.00 178.31 178.20 2bbn n VAL 142 N -4.77 0.00 -0.07 1.41 3.14 0.68 -2.54 118.33 116.17 2bbn n VAL 142 Ca -0.05 -0.03 -0.04 0.00 -2.96 0.00 0.00 64.34 61.26 2bbn n VAL 142 Cb 0.23 -0.36 -0.16 0.00 -1.06 0.00 0.00 33.84 32.48 2bbn n VAL 142 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2bbn n THR 143 N -0.97 0.98 -0.10 1.55 -1.04 0.46 -4.38 114.28 110.79 2bbn n THR 143 Ca 0.20 -0.75 -0.20 0.00 -2.04 0.00 0.00 64.05 61.26 2bbn n THR 143 Cb 0.19 -0.33 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 2bbn n THR 143 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bbn h MET 144 N 0.00 0.00 -3.32 -2.82 1.85 -1.33 -3.41 114.93 105.90 2bbn h MET 144 Ca -0.39 0.00 -0.76 0.00 -0.61 0.00 0.00 59.70 57.94 2bbn h MET 144 Cb 1.88 0.00 -0.31 0.00 0.43 0.00 0.00 31.60 33.60 2bbn h MET 144 CO 0.02 0.95 0.27 0.00 -0.40 0.00 0.00 176.91 177.75 2bbn n MET 145 N -4.47 3.32 -3.59 0.39 -0.00 -1.05 -4.99 117.12 106.72 2bbn n MET 145 Ca -0.27 -4.49 -0.12 0.00 -0.00 0.00 0.00 57.70 52.82 2bbn n MET 145 Cb 0.62 -2.48 -0.05 0.00 -0.00 0.00 0.00 33.22 31.32 2bbn n MET 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2bbn s THR 146 N -1.60 0.04 -0.35 3.17 2.01 -1.26 -4.79 115.64 112.86 2bbn s THR 146 Ca 0.30 -0.37 0.15 0.00 0.31 0.00 0.00 61.69 62.09 2bbn s THR 146 Cb -0.06 -1.05 0.45 0.00 0.01 0.00 0.00 72.50 71.85 2bbn s THR 146 CO -0.07 -0.20 0.99 -0.24 -0.69 0.00 0.00 174.62 174.41 2bbn n SER 147 N 0.04 2.20 0.00 3.53 2.88 -1.26 -5.05 113.62 115.96 2bbn n SER 147 Ca -0.17 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 2bbn n SER 147 Cb 0.62 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10