#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 -1.57 -0.10 0.00 8.00 -1.26 -4.79 116.55 116.84 2bbn n ASP 2 Ca 0.00 -1.05 0.15 0.00 0.71 0.00 0.00 54.79 54.60 2bbn n ASP 2 Cb 0.00 -2.69 0.78 0.00 -0.02 0.00 0.00 41.12 39.19 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bbn n GLN 3 N -4.41 0.95 -0.14 -1.24 6.02 -1.26 -3.25 117.38 114.06 2bbn n GLN 3 Ca -0.12 -0.20 0.05 0.00 -0.01 0.00 0.00 57.00 56.72 2bbn n GLN 3 Cb 0.59 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.50 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2bbn n LEU 4 N -0.85 1.47 -4.91 1.08 4.32 -1.26 -4.87 117.00 111.98 2bbn n LEU 4 Ca 0.20 -0.73 -0.21 0.00 -0.02 0.00 0.00 56.01 55.25 2bbn n LEU 4 Cb 0.20 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2bbn n LEU 4 CO 0.20 0.37 0.06 0.42 -1.22 0.00 0.00 177.39 177.21 2bbn s THR 5 N -1.64 2.54 -0.44 -5.08 -4.23 -1.20 -5.09 115.64 100.49 2bbn s THR 5 Ca 0.19 -1.28 0.07 0.00 -1.18 0.00 0.00 61.69 59.50 2bbn s THR 5 Cb 0.10 -2.82 0.26 0.00 1.34 0.00 0.00 72.50 71.38 2bbn s THR 5 CO 0.13 0.00 0.78 -0.62 -0.54 0.00 0.00 174.62 174.37 2bbn n GLU 6 N -1.68 0.80 -0.01 3.99 1.02 -1.26 -4.99 120.64 118.50 2bbn n GLU 6 Ca 0.05 -2.37 -0.00 0.00 -0.02 0.00 0.00 57.16 54.81 2bbn n GLU 6 Cb 0.62 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 3.82 0.00 -0.18 3.49 4.39 -1.98 -3.29 114.58 120.82 2bbn h GLU 7 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2bbn h GLU 7 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2bbn h GLU 7 CO 0.36 0.00 0.02 1.96 -1.16 0.00 0.00 179.01 180.19 2bbn h GLN 8 N -0.19 0.31 -0.88 2.33 4.20 -2.00 -2.75 115.11 116.14 2bbn h GLN 8 Ca 0.00 -0.09 0.23 0.00 0.06 0.00 0.00 58.65 58.85 2bbn h GLN 8 Cb 0.03 -0.03 -0.15 0.00 0.30 0.00 0.00 27.48 27.63 2bbn h GLN 8 CO 0.00 0.49 0.13 0.82 -0.67 0.00 0.00 178.83 179.61 2bbn h ILE 9 N 0.08 0.24 0.29 2.54 2.04 -1.95 0.12 117.51 120.88 2bbn h ILE 9 Ca 0.05 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2bbn h ILE 9 Cb 0.34 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2bbn h ILE 9 CO 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 178.15 178.04 2bbn h ALA 10 N 1.82 -0.40 -0.79 1.87 0.00 -1.58 0.85 119.26 121.03 2bbn h ALA 10 Ca 0.54 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.48 2bbn h ALA 10 Cb 1.07 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2bbn h ALA 10 CO -0.73 -0.64 0.25 0.93 0.00 0.00 0.00 179.25 179.06 2bbn h GLU 11 N -0.57 0.31 0.15 0.00 4.39 -0.58 0.14 114.58 118.42 2bbn h GLU 11 Ca -0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2bbn h GLU 11 Cb 0.42 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2bbn h GLU 11 CO 0.07 0.21 -0.07 0.35 -1.16 0.00 0.00 179.01 178.40 2bbn h PHE 12 N 0.32 -0.18 -0.95 4.33 3.57 -0.73 -2.19 116.94 121.10 2bbn h PHE 12 Ca 0.46 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.20 2bbn h PHE 12 Cb 0.81 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 2bbn h PHE 12 CO -0.22 0.19 0.65 -0.22 -2.23 0.00 0.00 178.31 176.47 2bbn h LYS 13 N -0.59 0.26 -0.15 1.11 3.64 0.23 0.97 116.57 122.03 2bbn h LYS 13 Ca -0.02 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2bbn h LYS 13 Cb 0.45 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2bbn h LYS 13 CO 0.03 0.17 -0.17 0.93 -2.27 0.00 0.00 179.45 178.15 2bbn h GLU 14 N 0.26 0.38 -1.03 1.90 5.08 -0.55 -2.34 114.58 118.29 2bbn h GLU 14 Ca 0.49 -0.21 0.26 0.00 -1.00 0.00 0.00 59.36 58.91 2bbn h GLU 14 Cb 1.48 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.62 2bbn h GLU 14 CO -0.15 0.77 0.64 0.00 -1.00 0.00 0.00 179.01 179.27 2bbn h ALA 15 N 0.61 2.01 -0.04 3.43 0.00 -0.17 0.34 119.26 125.45 2bbn h ALA 15 Ca 0.02 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2bbn h ALA 15 Cb 0.71 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2bbn h ALA 15 CO 0.04 -0.46 -0.89 0.74 0.00 0.00 0.00 179.25 178.68 2bbn h PHE 16 N 0.49 0.73 0.00 0.00 -1.00 -1.35 -0.95 116.94 114.86 2bbn h PHE 16 Ca 0.63 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 61.03 2bbn h PHE 16 Cb 1.38 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.85 2bbn h PHE 16 CO -0.00 1.18 0.00 0.66 -1.61 0.00 0.00 178.31 178.54 2bbn h SER 17 N 0.31 0.00 0.00 2.17 4.64 0.18 -2.15 113.55 118.69 2bbn h SER 17 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2bbn h SER 17 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2bbn h SER 17 CO 0.16 0.00 -0.85 -0.11 -0.87 0.00 0.00 176.83 175.16 2bbn n LEU 18 N -2.39 1.73 -0.36 5.97 7.94 -0.48 -4.47 117.00 124.93 2bbn n LEU 18 Ca 0.00 0.29 0.28 0.00 -1.11 0.00 0.00 56.01 55.48 2bbn n LEU 18 Cb 0.15 -0.69 0.57 0.00 0.53 0.00 0.00 43.42 43.98 2bbn n LEU 18 CO 0.17 -0.32 1.23 0.15 -1.11 0.00 0.00 177.39 177.50 2bbn h PHE 19 N -0.85 0.58 -1.37 1.96 3.04 -1.22 -3.18 116.94 115.89 2bbn h PHE 19 Ca 0.00 0.02 -0.64 0.00 3.98 0.00 0.00 57.97 61.33 2bbn h PHE 19 Cb 0.85 -0.16 -0.12 0.00 2.56 0.00 0.00 35.95 39.08 2bbn h PHE 19 CO -0.37 -0.04 1.48 0.34 -2.02 0.00 0.00 178.31 177.71 2bbn s ASP 20 N -4.99 6.61 -0.03 0.41 2.15 -0.81 -4.78 116.67 115.24 2bbn s ASP 20 Ca -0.08 -1.80 0.05 0.00 0.43 0.00 0.00 52.55 51.15 2bbn s ASP 20 Cb 0.27 -2.53 0.20 0.00 -0.30 0.00 0.00 42.92 40.56 2bbn s ASP 20 CO 0.81 -1.33 1.03 0.29 -0.17 0.00 0.00 175.17 175.80 2bbn n LYS 21 N 8.20 1.71 0.00 4.34 4.01 -1.21 -4.39 118.16 130.82 2bbn n LYS 21 Ca 0.34 -0.79 0.00 0.00 -0.51 0.00 0.00 58.31 57.35 2bbn n LYS 21 Cb 0.49 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.64 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2bbn n ASP 22 N 0.13 0.00 0.00 4.39 8.00 -1.26 -5.07 116.55 122.73 2bbn n ASP 22 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2bbn n ASP 22 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 3.13 0.00 0.12 0.44 0.00 -1.26 -5.06 105.19 102.55 2bbn n GLY 23 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.95 0.00 1.61 9.92 -1.26 -5.02 116.55 123.75 2bbn n ASP 24 Ca 0.00 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2bbn n ASP 24 Cb 0.00 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 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 1.35 0.63 3.20 0.44 0.00 -1.26 -5.05 105.19 104.49 2bbn n GLY 25 Ca -0.37 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 -0.03 -0.56 2.61 -4.23 -1.26 -4.70 115.64 105.47 2bbn s THR 26 Ca 0.00 0.09 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2bbn s THR 26 Cb 0.00 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 2bbn s THR 26 CO 0.00 0.04 1.69 -0.63 -0.54 0.00 0.00 174.62 175.17 2bbn s ILE 27 N 1.13 3.52 0.44 2.99 -1.09 -1.14 -4.75 121.20 122.30 2bbn s ILE 27 Ca -0.08 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 2bbn s ILE 27 Cb -0.08 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 2bbn s ILE 27 CO -0.09 -0.97 0.07 -0.89 -1.23 0.00 0.00 174.94 171.83 2bbn s THR 28 N 7.67 0.89 0.65 2.92 2.01 -1.26 -3.35 115.64 125.18 2bbn s THR 28 Ca 0.63 -2.00 0.36 0.00 0.31 0.00 0.00 61.69 60.99 2bbn s THR 28 Cb -0.13 -2.33 0.38 0.00 0.01 0.00 0.00 72.50 70.43 2bbn s THR 28 CO 0.23 0.00 2.17 0.71 -0.69 0.00 0.00 174.62 177.04 2bbn h THR 29 N 1.64 0.11 0.38 -0.82 1.35 -1.92 0.54 112.91 114.20 2bbn h THR 29 Ca -0.39 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 2bbn h THR 29 Cb 1.29 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2bbn h THR 29 CO 0.65 0.00 -0.18 0.50 -0.25 0.00 0.00 175.52 176.24 2bbn h LYS 30 N 0.00 -0.49 -0.01 4.72 3.64 -1.94 0.12 116.57 122.61 2bbn h LYS 30 Ca 0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2bbn h LYS 30 Cb 0.32 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2bbn h LYS 30 CO -0.00 -0.33 -0.01 1.49 -2.27 0.00 0.00 179.45 178.34 2bbn h GLU 31 N -1.05 0.02 0.22 1.90 4.57 -1.73 -2.22 114.58 116.29 2bbn h GLU 31 Ca -0.05 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2bbn h GLU 31 Cb 0.39 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2bbn h GLU 31 CO 0.09 0.47 -0.32 1.25 -1.18 0.00 0.00 179.01 179.32 2bbn h LEU 32 N -0.43 -0.89 -0.30 1.64 5.85 -0.08 -2.44 115.31 118.67 2bbn h LEU 32 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2bbn h LEU 32 Cb 0.47 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2bbn h LEU 32 CO 0.00 -0.43 -0.55 1.23 -0.34 0.00 0.00 178.44 178.35 2bbn h GLY 33 N -0.60 -1.05 -0.09 3.75 0.00 -0.77 0.56 103.07 104.86 2bbn h GLY 33 Ca 0.01 0.71 0.01 0.00 0.00 0.00 0.00 47.33 48.05 2bbn h GLY 33 CO -0.12 -0.15 -0.08 -0.91 0.00 0.00 0.00 176.54 175.28 2bbn h THR 34 N -0.47 0.00 0.50 4.70 1.35 -1.17 0.63 112.91 118.44 2bbn h THR 34 Ca 0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.90 2bbn h THR 34 Cb 0.63 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 2bbn h THR 34 CO -0.53 0.00 -0.36 0.58 -0.25 0.00 0.00 175.52 174.96 2bbn h VAL 35 N -0.03 0.00 -1.28 6.82 2.07 -1.13 -2.10 116.25 120.60 2bbn h VAL 35 Ca 0.02 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.92 2bbn h VAL 35 Cb 0.07 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.73 2bbn h VAL 35 CO -0.10 0.00 0.85 -0.03 0.02 0.00 0.00 177.57 178.31 2bbn h MET 36 N -0.82 0.15 -0.52 1.57 -1.53 0.30 0.80 114.93 114.87 2bbn h MET 36 Ca -0.07 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 2bbn h MET 36 Cb 0.68 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 2bbn h MET 36 CO 0.03 0.10 0.24 -0.09 0.14 0.00 0.00 176.91 177.33 2bbn h ARG 37 N 0.15 0.76 -0.80 0.39 2.43 0.95 1.58 114.38 119.84 2bbn h ARG 37 Ca 0.73 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 2bbn h ARG 37 Cb 2.33 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.75 2bbn h ARG 37 CO -0.29 0.64 0.00 -1.13 -1.51 0.00 0.00 179.97 177.68 2bbn n SER 38 N -4.57 3.10 -0.35 -3.80 3.41 0.26 -1.79 113.62 109.89 2bbn n SER 38 Ca 0.02 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2bbn n SER 38 Cb 0.13 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 0.29 0.00 0.00 1.04 7.94 -0.32 -4.94 117.00 121.01 2bbn n LEU 39 Ca 0.12 -0.79 0.00 0.00 -1.11 0.00 0.00 56.01 54.23 2bbn n LEU 39 Cb 0.67 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.62 2bbn n LEU 39 CO 0.15 0.58 0.00 0.61 -1.11 0.00 0.00 177.39 177.61 2bbn n GLY 40 N 0.00 0.02 5.25 -3.96 0.00 0.52 -4.89 105.19 102.11 2bbn n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.25 1.61 7.27 0.17 -4.82 117.38 118.37 2bbn n GLN 41 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 2bbn n GLN 41 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 2bbn n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bbn n ASN 42 N 3.71 -6.55 0.00 1.69 4.13 -1.26 -4.47 115.26 112.52 2bbn n ASN 42 Ca 0.00 0.06 0.03 0.00 1.68 0.00 0.00 54.58 56.35 2bbn n ASN 42 Cb 0.00 -3.33 0.16 0.00 -1.54 0.00 0.00 39.78 35.07 2bbn n ASN 42 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2bbn n PRO 43 N -0.49 0.14 -3.77 3.52 -0.02 -1.26 -4.55 135.00 128.58 2bbn n PRO 43 Ca -0.02 0.09 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 2bbn n PRO 43 Cb 0.59 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bbn s THR 44 N -2.22 5.22 -0.25 3.45 -4.23 -1.26 -4.98 115.64 111.37 2bbn s THR 44 Ca 0.07 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 2bbn s THR 44 Cb 0.04 -3.40 -0.11 0.00 1.34 0.00 0.00 72.50 70.37 2bbn s THR 44 CO 0.07 0.41 -0.32 1.21 -0.54 0.00 0.00 174.62 175.45 2bbn n GLU 45 N 3.81 0.57 -0.39 3.99 4.07 -1.26 -4.15 120.64 127.28 2bbn n GLU 45 Ca -0.16 0.27 0.33 0.00 -0.06 0.00 0.00 57.16 57.54 2bbn n GLU 45 Cb 0.52 -1.49 0.64 0.00 -0.06 0.00 0.00 31.44 31.05 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bbn h ALA 46 N -0.97 2.77 -0.46 4.31 0.00 -1.98 0.62 119.26 123.54 2bbn h ALA 46 Ca -0.50 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2bbn h ALA 46 Cb 1.42 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2bbn h ALA 46 CO -0.30 -1.22 -0.08 0.93 0.00 0.00 0.00 179.25 178.57 2bbn h GLU 47 N 0.16 0.88 -0.29 0.00 4.39 -2.00 -2.27 114.58 115.45 2bbn h GLU 47 Ca 0.67 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 2bbn h GLU 47 Cb 2.20 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.78 2bbn h GLU 47 CO -0.22 0.96 0.14 -0.07 -1.16 0.00 0.00 179.01 178.66 2bbn h LEU 48 N 0.72 0.35 0.33 1.33 4.07 0.09 -0.47 115.31 121.73 2bbn h LEU 48 Ca 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2bbn h LEU 48 Cb 0.62 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2bbn h LEU 48 CO 0.04 0.31 -0.16 -0.61 -1.08 0.00 0.00 178.44 176.94 2bbn h GLN 49 N 0.41 -0.43 -0.82 1.13 4.15 -1.19 -2.20 115.11 116.16 2bbn h GLN 49 Ca 0.10 0.03 0.21 0.00 0.77 0.00 0.00 58.65 59.76 2bbn h GLN 49 Cb 0.05 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 2bbn h GLN 49 CO -0.01 -0.20 0.56 0.22 -1.93 0.00 0.00 178.83 177.47 2bbn h ASP 50 N -1.07 0.19 -0.10 -0.69 3.58 -1.31 0.53 116.42 117.54 2bbn h ASP 50 Ca -0.05 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2bbn h ASP 50 Cb 0.43 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 2bbn h ASP 50 CO 0.07 0.08 0.01 -0.03 -2.88 0.00 0.00 179.24 176.49 2bbn h MET 51 N 0.19 0.18 -0.63 0.28 4.05 -1.04 0.21 114.93 118.17 2bbn h MET 51 Ca 0.40 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.80 2bbn h MET 51 Cb 1.30 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 2bbn h MET 51 CO -0.08 0.40 0.41 0.82 0.23 0.00 0.00 176.91 178.70 2bbn h ILE 52 N -0.07 1.09 -0.02 1.77 5.03 -0.26 -2.01 117.51 123.04 2bbn h ILE 52 Ca 0.03 -0.26 -0.23 0.00 -0.12 0.00 0.00 64.86 64.28 2bbn h ILE 52 Cb 0.32 0.27 0.01 0.00 -3.03 0.00 0.00 36.82 34.39 2bbn h ILE 52 CO 0.00 0.14 -0.93 -1.13 -0.68 0.00 0.00 178.15 175.55 2bbn h ASN 53 N 0.75 0.62 -0.28 1.72 -0.73 -1.13 -2.72 115.58 113.80 2bbn h ASN 53 Ca 0.25 -0.48 0.05 0.00 1.87 0.00 0.00 56.30 57.98 2bbn h ASN 53 Cb 0.06 -0.19 -0.08 0.00 0.27 0.00 0.00 38.32 38.38 2bbn h ASN 53 CO -0.07 1.28 -0.49 -0.08 -0.37 0.00 0.00 177.43 177.70 2bbn h GLU 54 N 0.28 -0.43 0.00 6.67 4.57 -0.18 -0.21 114.58 125.28 2bbn h GLU 54 Ca -0.08 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 2bbn h GLU 54 Cb 1.56 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 2bbn h GLU 54 CO 0.17 -0.29 -0.42 -0.24 -1.18 0.00 0.00 179.01 177.05 2bbn h VAL 55 N -0.45 1.11 -2.25 0.32 3.04 -1.64 -3.43 116.25 112.96 2bbn h VAL 55 Ca 0.08 -1.53 -0.57 0.00 -1.01 0.00 0.00 66.70 63.67 2bbn h VAL 55 Cb 0.62 1.87 0.02 0.00 -2.01 0.00 0.00 31.29 31.80 2bbn h VAL 55 CO -0.51 0.41 1.15 -0.67 -1.01 0.00 0.00 177.57 176.93 2bbn n ASP 56 N -3.77 3.83 -0.05 3.17 -0.08 -0.09 -4.89 116.55 114.67 2bbn n ASP 56 Ca -0.01 0.95 -0.01 0.00 -1.51 0.00 0.00 54.79 54.21 2bbn n ASP 56 Cb 0.49 -1.47 -0.00 0.00 2.34 0.00 0.00 41.12 42.48 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 9.56 0.00 -0.88 -1.67 0.00 -1.84 -3.36 119.26 121.06 2bbn h ALA 57 Ca -0.49 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.30 2bbn h ALA 57 Cb 1.25 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2bbn h ALA 57 CO 0.94 0.14 0.58 -0.44 0.00 0.00 0.00 179.25 180.47 2bbn h ASP 58 N -0.93 0.99 0.00 0.00 5.19 -1.96 -3.46 116.42 116.25 2bbn h ASP 58 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2bbn h ASP 58 Cb 0.14 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.40 2bbn h ASP 58 CO 0.00 0.71 0.00 0.61 -3.12 0.00 0.00 179.24 177.44 2bbn n GLY 59 N -1.40 0.97 0.34 2.75 0.00 -1.26 -4.96 105.19 101.63 2bbn n GLY 59 Ca 0.11 -0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 0.56 0.00 1.61 -0.26 -1.92 -3.44 115.58 112.13 2bbn h ASN 60 Ca 0.00 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2bbn h ASN 60 Cb 0.00 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 2bbn h ASN 60 CO 0.00 -0.07 0.00 0.61 -1.06 0.00 0.00 177.43 176.91 2bbn n GLY 61 N -1.30 1.28 3.58 2.83 0.00 -1.26 -5.11 105.19 105.21 2bbn n GLY 61 Ca 0.30 0.00 -0.11 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 -1.23 0.00 -0.45 2.61 -4.23 -1.26 -4.71 115.64 106.37 2bbn s THR 62 Ca 0.00 -1.43 -0.17 0.00 -1.18 0.00 0.00 61.69 58.90 2bbn s THR 62 Cb 0.00 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.44 2bbn s THR 62 CO 0.00 0.00 0.47 -0.63 -0.54 0.00 0.00 174.62 173.92 2bbn s ILE 63 N -3.49 5.07 0.00 2.99 1.01 -1.21 -4.94 121.20 120.63 2bbn s ILE 63 Ca 0.25 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2bbn s ILE 63 Cb -0.01 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2bbn s ILE 63 CO 0.13 -0.54 0.00 0.47 0.00 0.00 0.00 174.94 175.01 2bbn n ASP 64 N 5.65 0.00 0.16 3.58 8.00 -1.26 -2.88 116.55 129.80 2bbn n ASP 64 Ca -0.08 -0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.02 2bbn n ASP 64 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 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 -0.03 -0.67 0.60 1.24 -1.00 -1.97 -2.32 116.94 112.78 2bbn h PHE 65 Ca 0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2bbn h PHE 65 Cb 0.00 0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 2bbn h PHE 65 CO 0.00 -0.37 -0.36 -1.35 -1.61 0.00 0.00 178.31 174.62 2bbn h PRO 66 N -0.53 -0.86 -0.58 1.51 0.11 -1.98 -2.51 132.00 127.16 2bbn h PRO 66 Ca -0.00 0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.22 2bbn h PRO 66 Cb 0.50 0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 2bbn h PRO 66 CO -0.07 -0.57 -0.36 0.93 -0.21 0.00 0.00 178.00 177.72 2bbn h GLU 67 N -0.89 -0.02 -0.62 1.05 4.39 -1.93 0.62 114.58 117.18 2bbn h GLU 67 Ca -0.08 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.69 2bbn h GLU 67 Cb 0.71 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.27 2bbn h GLU 67 CO 0.09 -0.01 -0.56 0.35 -1.16 0.00 0.00 179.01 177.72 2bbn h PHE 68 N -0.02 -1.72 -0.05 4.33 3.57 -1.42 0.81 116.94 122.43 2bbn h PHE 68 Ca 0.09 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2bbn h PHE 68 Cb 0.26 0.83 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 2bbn h PHE 68 CO -0.97 -0.45 0.05 -0.07 -2.23 0.00 0.00 178.31 174.64 2bbn h LEU 69 N -0.25 0.00 -0.08 0.59 3.38 -0.70 -1.96 115.31 116.28 2bbn h LEU 69 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bbn h LEU 69 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2bbn h LEU 69 CO -0.72 0.00 0.05 0.74 0.09 0.00 0.00 178.44 178.60 2bbn h THR 70 N 0.00 1.05 -0.48 0.22 2.02 0.63 0.23 112.91 116.58 2bbn h THR 70 Ca 0.02 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2bbn h THR 70 Cb 0.12 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2bbn h THR 70 CO -0.00 0.05 0.30 -0.03 0.37 0.00 0.00 175.52 176.21 2bbn h MET 71 N 0.07 0.64 0.00 6.66 4.05 -0.57 0.51 114.93 126.28 2bbn h MET 71 Ca 0.03 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2bbn h MET 71 Cb 0.04 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2bbn h MET 71 CO -0.01 0.44 -0.04 0.52 0.23 0.00 0.00 176.91 178.05 2bbn h MET 72 N 0.65 0.00 -0.00 0.39 2.07 -1.11 -3.06 114.93 113.87 2bbn h MET 72 Ca 0.17 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 2bbn h MET 72 Cb -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.68 2bbn h MET 72 CO -0.04 0.04 -0.90 0.00 1.07 0.00 0.00 176.91 177.08 2bbn n ALA 73 N -2.11 4.55 0.11 6.32 0.00 0.73 -4.28 120.51 125.83 2bbn n ALA 73 Ca 0.02 -0.60 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 2bbn n ALA 73 Cb 0.46 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 2bbn n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2bbn h ARG 74 N 0.40 0.38 0.00 0.00 2.43 0.02 -3.46 114.38 114.15 2bbn h ARG 74 Ca 0.00 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 2bbn h ARG 74 Cb 0.54 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2bbn h ARG 74 CO 0.00 1.27 0.00 1.63 -1.51 0.00 0.00 179.97 181.36 2bbn n LYS 75 N -3.63 0.00 -1.42 0.20 4.76 -1.23 -4.82 118.16 112.04 2bbn n LYS 75 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 2bbn n LYS 75 Cb 1.02 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.21 2bbn n LYS 75 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2bbn n MET 76 N 0.00 -3.16 -1.51 1.97 1.56 -1.26 -4.69 117.12 110.02 2bbn n MET 76 Ca 0.00 2.46 -0.44 0.00 -0.27 0.00 0.00 57.70 59.45 2bbn n MET 76 Cb 0.00 -2.45 -0.06 0.00 2.15 0.00 0.00 33.22 32.86 2bbn n MET 76 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2bbn n LYS 77 N 1.08 1.19 -0.38 2.12 5.02 -1.26 -4.76 118.16 121.17 2bbn n LYS 77 Ca 0.00 0.25 0.08 0.00 -2.02 0.00 0.00 58.31 56.61 2bbn n LYS 77 Cb 0.00 -2.82 0.16 0.00 -0.02 0.00 0.00 35.03 32.35 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bbn n ASP 78 N 11.95 1.93 -1.34 4.39 2.03 -1.26 -4.94 116.55 129.31 2bbn n ASP 78 Ca 0.40 -3.40 -0.09 0.00 0.52 0.00 0.00 54.79 52.21 2bbn n ASP 78 Cb 0.35 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.24 2bbn n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2bbn n THR 79 N -1.18 -0.02 -2.94 5.18 -2.24 -1.26 -3.19 114.28 108.63 2bbn n THR 79 Ca 0.17 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2bbn n THR 79 Cb 0.68 -0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.16 -7.18 -2.97 3.42 9.92 -1.26 -4.95 116.55 113.37 2bbn n ASP 80 Ca -0.10 0.96 -0.11 0.00 -0.53 0.00 0.00 54.79 55.02 2bbn n ASP 80 Cb 0.32 -3.57 0.10 0.00 -0.64 0.00 0.00 41.12 37.33 2bbn n ASP 80 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2bbn n SER 81 N 1.04 -2.00 0.00 -2.24 3.41 -1.19 -5.02 113.62 107.62 2bbn n SER 81 Ca -0.01 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2bbn n SER 81 Cb 0.24 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2bbn n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2bbn n GLU 82 N -3.01 0.00 0.26 4.33 2.13 -1.26 -4.79 120.64 118.30 2bbn n GLU 82 Ca 0.05 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.94 2bbn n GLU 82 Cb 0.22 -0.22 0.36 0.00 0.27 0.00 0.00 31.44 32.06 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 83 N 0.00 0.00 0.00 5.31 5.08 -1.97 0.64 114.58 123.64 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 0.39 -1.00 0.00 0.00 179.01 178.40 2bbn n GLU 84 N -2.38 0.00 -0.29 2.33 -0.58 -1.26 -2.06 120.64 116.40 2bbn n GLU 84 Ca -0.01 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 2bbn n GLU 84 Cb 0.58 -1.15 0.20 0.00 -0.57 0.00 0.00 31.44 30.50 2bbn n GLU 84 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2bbn h ILE 85 N 0.00 1.19 0.11 -3.67 5.03 -1.67 -1.61 117.51 116.90 2bbn h ILE 85 Ca 0.00 -0.39 -0.00 0.00 -0.12 0.00 0.00 64.86 64.35 2bbn h ILE 85 Cb 0.00 -0.04 -0.00 0.00 -3.03 0.00 0.00 36.82 33.75 2bbn h ILE 85 CO 0.00 0.21 -0.08 -0.09 -0.68 0.00 0.00 178.15 177.50 2bbn h ARG 86 N 1.13 -0.18 -0.49 2.37 2.43 -1.03 0.36 114.38 118.97 2bbn h ARG 86 Ca 0.33 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.65 2bbn h ARG 86 Cb -0.07 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2bbn h ARG 86 CO -0.08 -0.12 0.53 1.05 -1.51 0.00 0.00 179.97 179.83 2bbn h GLU 87 N -0.19 0.00 -0.19 0.20 4.11 -1.36 0.66 114.58 117.81 2bbn h GLU 87 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.21 2bbn h GLU 87 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 2bbn h GLU 87 CO 0.01 0.00 -0.71 0.00 0.07 0.00 0.00 179.01 178.38 2bbn h ALA 88 N 1.41 0.38 -0.22 1.06 0.00 -0.37 -1.60 119.26 119.93 2bbn h ALA 88 Ca 0.23 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2bbn h ALA 88 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bbn h ALA 88 CO -0.00 0.69 -0.26 0.35 0.00 0.00 0.00 179.25 180.03 2bbn h PHE 89 N 0.56 0.67 -0.61 0.00 3.04 0.43 -2.79 116.94 118.24 2bbn h PHE 89 Ca -0.03 -0.21 0.04 0.00 3.98 0.00 0.00 57.97 61.75 2bbn h PHE 89 Cb 1.33 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.67 2bbn h PHE 89 CO 0.08 0.91 0.40 -0.09 -2.02 0.00 0.00 178.31 177.60 2bbn h ARG 90 N 0.24 0.66 0.53 1.11 2.43 -0.81 -2.23 114.38 116.31 2bbn h ARG 90 Ca 0.03 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2bbn h ARG 90 Cb 0.82 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2bbn h ARG 90 CO 0.06 0.44 -0.26 0.28 -1.51 0.00 0.00 179.97 178.98 2bbn h VAL 91 N 0.68 0.48 -1.22 0.20 2.07 -1.08 0.29 116.25 117.67 2bbn h VAL 91 Ca 0.25 -0.00 0.35 0.00 0.82 0.00 0.00 66.70 68.12 2bbn h VAL 91 Cb 0.13 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2bbn h VAL 91 CO -0.07 0.00 0.85 -0.26 0.02 0.00 0.00 177.57 178.11 2bbn h PHE 92 N -0.72 0.25 -1.98 1.57 0.04 -1.16 -0.02 116.94 114.93 2bbn h PHE 92 Ca -0.07 0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.14 2bbn h PHE 92 Cb 0.55 -0.07 -0.42 0.00 2.20 0.00 0.00 35.95 38.21 2bbn h PHE 92 CO -0.04 -0.01 -0.75 -3.47 -0.60 0.00 0.00 178.31 173.44 2bbn n ASP 93 N -4.35 4.03 -0.26 2.17 2.03 -0.40 -4.60 116.55 115.17 2bbn n ASP 93 Ca 0.28 -3.58 -0.09 0.00 0.52 0.00 0.00 54.79 51.93 2bbn n ASP 93 Cb 1.23 -0.54 -0.07 0.00 -0.72 0.00 0.00 41.12 41.02 2bbn n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2bbn h LYS 94 N 2.87 -0.07 -5.26 -0.67 1.63 0.15 -3.28 116.57 111.94 2bbn h LYS 94 Ca 0.16 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.86 2bbn h LYS 94 Cb 0.70 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 2bbn h LYS 94 CO 0.78 -0.05 0.57 -0.40 -3.45 0.00 0.00 179.45 176.90 2bbn n ASP 95 N -4.65 1.03 -4.50 4.20 5.75 -1.26 -4.71 116.55 112.40 2bbn n ASP 95 Ca 0.00 -1.22 -0.26 0.00 -0.01 0.00 0.00 54.79 53.31 2bbn n ASP 95 Cb 0.21 -1.38 -0.20 0.00 -1.03 0.00 0.00 41.12 38.71 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 96 N 6.47 -0.48 0.05 6.12 0.00 -1.24 -4.56 105.19 111.55 2bbn n GLY 96 Ca 0.52 0.26 -0.06 0.00 0.00 0.00 0.00 46.02 46.74 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 7.17 3.03 0.00 1.61 4.05 -1.26 -5.03 115.26 124.83 2bbn n ASN 97 Ca 0.66 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.66 2bbn n ASN 97 Cb 0.13 0.14 0.00 0.00 1.23 0.00 0.00 39.78 41.28 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bbn n GLY 98 N 2.79 1.63 2.99 8.20 0.00 -1.26 -5.05 105.19 114.48 2bbn n GLY 98 Ca -0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.15 0.28 0.33 1.61 -0.12 -1.26 -4.46 117.98 113.22 2bbn s PHE 99 Ca 0.00 -0.54 -0.26 0.00 -0.05 0.00 0.00 56.93 56.08 2bbn s PHE 99 Cb 0.00 -0.20 -0.10 0.00 -0.63 0.00 0.00 43.02 42.09 2bbn s PHE 99 CO 0.00 -0.19 0.98 0.42 -0.05 0.00 0.00 175.22 176.38 2bbn s ILE 100 N -1.51 4.04 0.48 -4.49 1.01 -0.98 -4.87 121.20 114.88 2bbn s ILE 100 Ca -0.15 1.70 0.04 0.00 0.00 0.00 0.00 60.65 62.24 2bbn s ILE 100 Cb -0.10 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2bbn s ILE 100 CO -0.01 0.14 0.12 -0.94 0.00 0.00 0.00 174.94 174.25 2bbn s SER 101 N -1.53 4.25 0.01 3.58 1.04 -1.26 -3.38 113.70 116.40 2bbn s SER 101 Ca 0.51 -1.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.29 2bbn s SER 101 Cb -0.21 0.12 -0.18 0.00 0.10 0.00 0.00 66.02 65.86 2bbn s SER 101 CO 0.26 -0.76 1.29 0.00 0.98 0.00 0.00 173.24 175.01 2bbn h ALA 102 N 1.33 -0.21 -0.66 5.32 0.00 -1.95 -3.11 119.26 119.97 2bbn h ALA 102 Ca -0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2bbn h ALA 102 Cb 1.29 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2bbn h ALA 102 CO 0.71 -0.44 0.33 0.00 0.00 0.00 0.00 179.25 179.85 2bbn h ALA 103 N 0.19 0.85 -1.23 0.00 0.00 -1.96 -2.39 119.26 114.71 2bbn h ALA 103 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2bbn h ALA 103 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bbn h ALA 103 CO 0.04 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.08 2bbn n GLU 104 N -4.48 0.00 -0.21 0.00 1.02 -1.22 -1.59 120.64 114.17 2bbn n GLU 104 Ca 0.05 0.58 -0.01 0.00 -0.02 0.00 0.00 57.16 57.75 2bbn n GLU 104 Cb 0.12 -1.29 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 2bbn n GLU 104 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bbn h LEU 105 N 0.00 -0.66 -0.99 -4.62 5.85 -1.60 0.16 115.31 113.45 2bbn h LEU 105 Ca 0.00 0.19 0.37 0.00 0.84 0.00 0.00 57.88 59.28 2bbn h LEU 105 Cb 0.00 0.41 -0.17 0.00 0.37 0.00 0.00 40.66 41.27 2bbn h LEU 105 CO 0.00 -0.22 0.46 -0.09 -0.34 0.00 0.00 178.44 178.24 2bbn h ARG 106 N -0.03 0.09 -0.24 1.25 2.43 -1.03 1.13 114.38 117.98 2bbn h ARG 106 Ca 0.29 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.29 2bbn h ARG 106 Cb 0.47 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2bbn h ARG 106 CO -0.65 0.06 -0.53 1.25 -1.51 0.00 0.00 179.97 178.59 2bbn h HIS 107 N 0.09 0.88 -0.20 2.20 2.76 0.33 -1.82 115.15 119.40 2bbn h HIS 107 Ca 0.77 -0.31 -0.17 0.00 -2.20 0.00 0.00 60.37 58.47 2bbn h HIS 107 Cb 1.91 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 30.69 2bbn h HIS 107 CO -0.09 1.08 -0.55 0.28 -1.30 0.00 0.00 177.93 177.35 2bbn h VAL 108 N 0.55 1.31 0.00 5.26 2.07 0.14 -2.40 116.25 123.19 2bbn h VAL 108 Ca 0.02 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.61 2bbn h VAL 108 Cb 1.10 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2bbn h VAL 108 CO 0.11 0.56 -0.63 0.24 0.02 0.00 0.00 177.57 177.87 2bbn h MET 109 N 0.46 0.00 -0.13 1.57 2.07 -0.43 -3.21 114.93 115.27 2bbn h MET 109 Ca 0.01 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.54 2bbn h MET 109 Cb 1.11 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.84 2bbn h MET 109 CO 0.11 0.63 -0.32 1.79 1.07 0.00 0.00 176.91 180.18 2bbn h THR 110 N 0.00 1.37 -0.96 2.22 1.35 -1.22 -3.15 112.91 112.52 2bbn h THR 110 Ca -0.01 -1.60 0.30 0.00 -0.55 0.00 0.00 66.41 64.55 2bbn h THR 110 Cb 1.15 2.06 -0.15 0.00 -1.73 0.00 0.00 68.15 69.48 2bbn h THR 110 CO 0.08 0.48 0.43 -1.13 -0.25 0.00 0.00 175.52 175.12 2bbn h ASN 111 N 0.05 0.27 0.00 5.36 -0.00 -1.43 -3.26 115.58 116.56 2bbn h ASN 111 Ca -0.00 0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 2bbn h ASN 111 Cb 0.93 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.46 2bbn h ASN 111 CO 0.07 -0.19 0.00 0.18 -0.00 0.00 0.00 177.43 177.49 2bbn n LEU 112 N -5.16 0.00 -2.72 0.34 4.77 -1.19 -4.95 117.00 108.09 2bbn n LEU 112 Ca 0.29 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 2bbn n LEU 112 Cb 0.91 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.09 2bbn n LEU 112 CO 0.06 0.00 0.41 0.61 -1.33 0.00 0.00 177.39 177.14 2bbn n GLY 113 N 1.31 0.56 3.41 -0.72 0.00 -1.23 -5.11 105.19 103.41 2bbn n GLY 113 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2bbn n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bbn s GLU 114 N 0.24 0.47 -0.46 1.61 2.02 -1.22 -5.07 118.70 116.29 2bbn s GLU 114 Ca 0.22 1.20 -0.17 0.00 0.02 0.00 0.00 54.97 56.23 2bbn s GLU 114 Cb 0.31 0.56 0.05 0.00 0.10 0.00 0.00 34.13 35.14 2bbn s GLU 114 CO -0.07 -0.29 0.46 0.15 0.02 0.00 0.00 175.26 175.54 2bbn s LYS 115 N 2.77 3.06 -0.05 1.61 1.02 -1.26 -3.66 119.74 123.23 2bbn s LYS 115 Ca -0.00 -0.98 0.06 0.00 0.02 0.00 0.00 55.97 55.06 2bbn s LYS 115 Cb -0.13 -4.05 -0.02 0.00 -0.52 0.00 0.00 37.83 33.12 2bbn s LYS 115 CO -0.17 -0.99 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.55 2bbn s LEU 116 N 2.09 2.31 0.00 3.17 1.43 -1.26 -5.13 118.68 121.30 2bbn s LEU 116 Ca 0.10 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2bbn s LEU 116 Cb -0.20 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2bbn s LEU 116 CO 0.11 0.30 0.00 0.41 0.23 0.00 0.00 176.35 177.40 2bbn n THR 117 N 2.61 0.00 -0.09 5.49 -1.04 -1.26 -4.92 114.28 115.07 2bbn n THR 117 Ca -0.17 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.61 2bbn n THR 117 Cb 0.52 -0.61 -0.12 0.00 -1.82 0.00 0.00 70.33 68.30 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 1.92 -0.18 8.00 -0.08 -1.26 -4.08 116.55 120.88 2bbn n ASP 118 Ca 0.00 0.35 -0.00 0.00 -1.51 0.00 0.00 54.79 53.63 2bbn n ASP 118 Cb 0.00 -0.90 0.09 0.00 2.34 0.00 0.00 41.12 42.64 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2bbn h GLU 119 N -0.79 0.16 0.00 -0.67 4.39 -1.99 -0.65 114.58 115.02 2bbn h GLU 119 Ca -0.43 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2bbn h GLU 119 Cb 1.50 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2bbn h GLU 119 CO -0.20 0.10 0.00 0.39 -1.16 0.00 0.00 179.01 178.15 2bbn n GLU 120 N -5.21 0.00 -0.24 2.33 1.02 -1.26 -1.49 120.64 115.79 2bbn n GLU 120 Ca 0.07 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 2bbn n GLU 120 Cb 0.31 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 2bbn n GLU 120 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bbn h VAL 121 N 0.00 0.28 -0.84 2.62 2.07 -1.64 -0.62 116.25 118.11 2bbn h VAL 121 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2bbn h VAL 121 Cb 0.00 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 29.93 2bbn h VAL 121 CO 0.00 0.00 -0.51 -0.78 0.02 0.00 0.00 177.57 176.30 2bbn h ASP 122 N -0.02 -1.82 -0.43 0.57 1.82 -0.42 0.62 116.42 116.74 2bbn h ASP 122 Ca 0.33 0.30 0.08 0.00 -0.39 0.00 0.00 57.03 57.35 2bbn h ASP 122 Cb 0.52 0.83 -0.08 0.00 0.68 0.00 0.00 39.33 41.29 2bbn h ASP 122 CO -0.72 -0.29 -0.05 -0.08 -1.61 0.00 0.00 179.24 176.49 2bbn h GLU 123 N -0.10 0.06 0.00 0.28 4.22 -0.01 0.24 114.58 119.27 2bbn h GLU 123 Ca 0.20 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 2bbn h GLU 123 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2bbn h GLU 123 CO -0.86 0.04 -0.02 0.52 -2.18 0.00 0.00 179.01 176.51 2bbn h MET 124 N 0.06 0.00 0.10 1.92 2.86 0.11 -1.94 114.93 118.05 2bbn h MET 124 Ca 0.21 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2bbn h MET 124 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2bbn h MET 124 CO -0.39 0.02 -0.05 0.82 1.06 0.00 0.00 176.91 178.37 2bbn h ILE 125 N 0.00 0.80 -0.49 -1.22 1.08 0.31 -3.34 117.51 114.65 2bbn h ILE 125 Ca -0.00 -1.35 0.10 0.00 -0.39 0.00 0.00 64.86 63.22 2bbn h ILE 125 Cb 0.04 1.43 -0.09 0.00 -3.07 0.00 0.00 36.82 35.13 2bbn h ILE 125 CO 0.00 0.24 -0.11 0.03 -0.69 0.00 0.00 178.15 177.62 2bbn h ARG 126 N -0.94 0.01 0.00 2.37 3.08 -0.60 0.41 114.38 118.70 2bbn h ARG 126 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2bbn h ARG 126 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2bbn h ARG 126 CO 0.02 0.01 0.43 0.39 -1.07 0.00 0.00 179.97 179.74 2bbn n GLU 127 N -5.35 0.04 0.06 0.04 4.71 -0.75 0.36 120.64 119.75 2bbn n GLU 127 Ca 0.04 0.42 -0.20 0.00 -0.01 0.00 0.00 57.16 57.41 2bbn n GLU 127 Cb 0.26 -2.06 -0.14 0.00 -1.01 0.00 0.00 31.44 28.50 2bbn n GLU 127 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bbn h ALA 128 N 0.72 -0.06 -2.68 0.62 0.00 -0.30 -3.46 119.26 114.11 2bbn h ALA 128 Ca 0.00 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 2bbn h ALA 128 Cb 0.85 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2bbn h ALA 128 CO 0.00 0.45 -0.47 0.16 0.00 0.00 0.00 179.25 179.39 2bbn s ASP 129 N -7.06 6.35 -0.13 0.00 -4.77 0.16 -4.98 116.67 106.24 2bbn s ASP 129 Ca -0.12 0.23 0.20 0.00 -3.30 0.00 0.00 52.55 49.55 2bbn s ASP 129 Cb 0.02 -1.94 -0.29 0.00 -1.09 0.00 0.00 42.92 39.63 2bbn s ASP 129 CO 0.86 0.09 0.24 0.00 0.70 0.00 0.00 175.17 177.05 2bbn n ILE 130 N -0.26 0.83 0.00 2.11 0.13 -1.26 -4.85 119.36 116.07 2bbn n ILE 130 Ca -0.06 -0.71 0.00 0.00 -1.10 0.00 0.00 62.75 60.88 2bbn n ILE 130 Cb 0.53 -0.27 0.00 0.00 -0.84 0.00 0.00 39.64 39.05 2bbn n ILE 130 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 2bbn n ASP 131 N -2.55 0.00 -0.43 9.51 5.68 -1.26 -5.00 116.55 122.50 2bbn n ASP 131 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 2bbn n ASP 131 Cb 0.92 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 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 3.88 0.97 0.35 6.12 0.00 -1.26 -4.95 105.19 110.31 2bbn n GLY 132 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 2bbn n GLY 132 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2bbn h ASP 133 N 0.00 0.55 0.00 1.61 1.82 -1.94 -3.43 116.42 115.02 2bbn h ASP 133 Ca 0.00 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2bbn h ASP 133 Cb 1.01 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.12 2bbn h ASP 133 CO 0.00 -0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.19 2bbn n GLY 134 N -1.32 2.37 3.70 -0.78 0.00 -1.26 -4.92 105.19 102.98 2bbn n GLY 134 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 2.27 -0.17 1.61 -1.52 -1.26 -4.56 119.66 116.03 2bbn s GLN 135 Ca 0.00 -1.64 -0.13 0.00 -1.95 0.00 0.00 55.36 51.65 2bbn s GLN 135 Cb 0.00 -2.08 -0.05 0.00 -0.22 0.00 0.00 33.01 30.66 2bbn s GLN 135 CO 0.00 0.09 0.24 0.08 -0.25 0.00 0.00 175.29 175.45 2bbn s VAL 136 N -2.47 5.34 0.50 1.09 1.01 -1.22 -4.85 120.40 119.80 2bbn s VAL 136 Ca 0.37 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.85 2bbn s VAL 136 Cb -0.01 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.88 2bbn s VAL 136 CO 0.22 0.41 0.69 0.59 0.00 0.00 0.00 175.10 177.00 2bbn n ASN 137 N 3.51 1.61 0.00 3.32 4.13 -1.26 -2.33 115.26 124.23 2bbn n ASN 137 Ca -0.13 -2.20 0.00 0.00 1.68 0.00 0.00 54.58 53.93 2bbn n ASN 137 Cb 0.52 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 2bbn n ASN 137 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bbn n TYR 138 N -2.14 0.00 0.23 3.10 9.36 -1.26 -1.97 117.16 124.48 2bbn n TYR 138 Ca 0.13 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.49 2bbn n TYR 138 Cb 0.49 -0.38 0.54 0.00 -0.63 0.00 0.00 39.34 39.36 2bbn n TYR 138 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2bbn h GLU 139 N 0.00 0.00 0.09 2.98 4.57 -1.98 1.25 114.58 121.48 2bbn h GLU 139 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 2bbn h GLU 139 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2bbn h GLU 139 CO 0.00 0.00 -1.15 1.49 -1.18 0.00 0.00 179.01 178.17 2bbn h GLU 140 N 0.00 0.23 -0.28 1.92 4.81 -1.96 -1.87 114.58 117.42 2bbn h GLU 140 Ca 0.09 -0.36 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 2bbn h GLU 140 Cb 1.36 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 2bbn h GLU 140 CO -0.00 1.15 -0.48 0.35 -0.73 0.00 0.00 179.01 179.30 2bbn h PHE 141 N 0.08 0.94 0.00 0.92 3.04 0.22 -2.29 116.94 119.84 2bbn h PHE 141 Ca -0.10 -0.31 -0.11 0.00 3.98 0.00 0.00 57.97 61.43 2bbn h PHE 141 Cb 1.87 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 40.18 2bbn h PHE 141 CO 0.05 1.09 -0.55 -0.24 -2.02 0.00 0.00 178.31 176.64 2bbn h VAL 142 N 0.60 0.89 0.00 1.41 3.04 -1.44 -2.87 116.25 117.88 2bbn h VAL 142 Ca 0.03 -2.26 -0.12 0.00 -1.01 0.00 0.00 66.70 63.34 2bbn h VAL 142 Cb 1.05 2.43 -0.02 0.00 -2.01 0.00 0.00 31.29 32.74 2bbn h VAL 142 CO 0.10 0.50 -0.59 0.74 -1.01 0.00 0.00 177.57 177.32 2bbn h THR 143 N 0.00 1.28 0.00 3.17 2.02 -1.23 -3.27 112.91 114.88 2bbn h THR 143 Ca -0.01 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.06 2bbn h THR 143 Cb 1.41 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 2bbn h THR 143 CO 0.07 0.57 -0.00 -0.03 0.37 0.00 0.00 175.52 176.50 2bbn h MET 144 N 0.00 -0.00 -4.87 6.66 -1.53 -1.38 -3.39 114.93 110.42 2bbn h MET 144 Ca -0.01 0.00 -0.71 0.00 -3.44 0.00 0.00 59.70 55.54 2bbn h MET 144 Cb 1.14 0.00 -0.18 0.00 -0.55 0.00 0.00 31.60 32.01 2bbn h MET 144 CO 0.08 0.89 0.97 -1.64 0.14 0.00 0.00 176.91 177.35 2bbn s MET 145 N -2.61 3.77 -0.25 0.39 1.00 -1.09 -4.91 119.30 115.60 2bbn s MET 145 Ca -0.18 -2.09 -0.04 0.00 0.00 0.00 0.00 55.69 53.38 2bbn s MET 145 Cb -0.02 -4.94 0.14 0.00 0.00 0.00 0.00 34.83 30.01 2bbn s MET 145 CO 0.68 -1.74 0.47 -0.08 0.00 0.00 0.00 175.02 174.35 2bbn s THR 146 N 2.16 -0.75 0.00 2.05 -1.32 -1.26 -4.84 115.64 111.67 2bbn s THR 146 Ca 0.35 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2bbn s THR 146 Cb -0.04 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2bbn s THR 146 CO -0.06 -0.04 0.00 -1.20 -2.21 0.00 0.00 174.62 171.11 2bbn n SER 147 N 5.40 0.00 -0.66 8.08 7.64 -1.26 -5.12 113.62 127.69 2bbn n SER 147 Ca -0.05 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.97 2bbn n SER 147 Cb 0.50 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.07 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32