#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 0.00 0.00 5.68 -1.26 -4.81 116.55 116.16 2bbn n ASP 2 Ca 0.00 -1.00 0.01 0.00 -0.50 0.00 0.00 54.79 53.30 2bbn n ASP 2 Cb 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bbn n GLN 3 N 0.00 0.09 -0.02 0.11 6.02 -1.26 -1.42 117.38 120.90 2bbn n GLN 3 Ca 0.00 0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 2bbn n GLN 3 Cb 0.40 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.71 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2bbn n LEU 4 N -1.01 0.57 0.00 1.08 0.00 -1.26 -4.86 117.00 111.52 2bbn n LEU 4 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.80 2bbn n LEU 4 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.40 2bbn n LEU 4 CO 0.02 0.11 0.00 0.35 0.00 0.00 0.00 177.39 177.87 2bbn n THR 5 N -0.44 0.00 -0.15 1.96 -2.24 -0.51 -5.01 114.28 107.90 2bbn n THR 5 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2bbn n THR 5 Cb 0.16 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2bbn n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 6 N -1.27 1.75 0.16 -0.78 1.02 -1.26 -4.78 120.64 115.48 2bbn n GLU 6 Ca 0.00 -0.04 0.14 0.00 -0.02 0.00 0.00 57.16 57.25 2bbn n GLU 6 Cb 0.00 -0.28 0.70 0.00 -0.02 0.00 0.00 31.44 31.85 2bbn n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2bbn h GLU 7 N 0.00 0.00 0.00 3.49 4.81 -1.98 -1.38 114.58 119.52 2bbn h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bbn h GLU 7 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2bbn h GLU 7 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 2bbn n GLN 8 N -4.32 0.00 -0.15 1.92 6.02 -1.26 -1.78 117.38 117.81 2bbn n GLN 8 Ca 0.03 0.44 0.28 0.00 -0.01 0.00 0.00 57.00 57.74 2bbn n GLN 8 Cb 0.32 -1.16 0.67 0.00 1.02 0.00 0.00 30.24 31.09 2bbn n GLN 8 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2bbn h ILE 9 N 0.00 0.25 -0.05 5.09 3.07 -1.88 0.80 117.51 124.79 2bbn h ILE 9 Ca 0.00 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.19 2bbn h ILE 9 Cb 0.00 0.37 0.00 0.00 -0.27 0.00 0.00 36.82 36.92 2bbn h ILE 9 CO 0.00 0.00 -0.86 0.00 -1.05 0.00 0.00 178.15 176.24 2bbn h ALA 10 N 1.17 0.39 0.53 0.16 0.00 -1.25 -1.33 119.26 118.93 2bbn h ALA 10 Ca 0.42 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2bbn h ALA 10 Cb 2.07 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.85 2bbn h ALA 10 CO -0.00 0.76 -0.25 1.49 0.00 0.00 0.00 179.25 181.24 2bbn h GLU 11 N 0.32 -0.69 -0.95 0.00 4.81 0.14 -1.72 114.58 116.50 2bbn h GLU 11 Ca -0.07 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2bbn h GLU 11 Cb 1.48 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.97 2bbn h GLU 11 CO 0.16 -0.38 0.63 0.74 -0.73 0.00 0.00 179.01 179.42 2bbn h PHE 12 N -1.05 1.20 -0.82 0.92 0.04 -1.56 -1.67 116.94 114.00 2bbn h PHE 12 Ca -0.07 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.78 2bbn h PHE 12 Cb 0.62 -0.41 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 2bbn h PHE 12 CO 0.01 0.75 0.54 -0.22 -0.60 0.00 0.00 178.31 178.79 2bbn h LYS 13 N 1.29 0.93 -0.56 1.51 3.64 -1.22 -1.43 116.57 120.72 2bbn h LYS 13 Ca 0.35 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2bbn h LYS 13 Cb -0.15 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.44 2bbn h LYS 13 CO -0.08 0.61 -0.04 0.93 -2.27 0.00 0.00 179.45 178.60 2bbn h GLU 14 N 0.95 1.01 -0.54 1.90 4.39 -0.37 -2.17 114.58 119.76 2bbn h GLU 14 Ca 0.34 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2bbn h GLU 14 Cb 0.13 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 2bbn h GLU 14 CO -0.11 1.01 0.24 0.00 -1.16 0.00 0.00 179.01 178.99 2bbn h ALA 15 N 1.03 0.68 0.64 3.43 0.00 -0.83 -2.18 119.26 122.03 2bbn h ALA 15 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2bbn h ALA 15 Cb 0.59 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bbn h ALA 15 CO 0.04 -0.14 -0.31 0.74 0.00 0.00 0.00 179.25 179.58 2bbn h PHE 16 N 0.45 -0.80 -1.63 0.00 0.04 -1.30 0.31 116.94 114.02 2bbn h PHE 16 Ca 0.25 -0.02 0.47 0.00 2.80 0.00 0.00 57.97 61.47 2bbn h PHE 16 Cb 0.22 0.27 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 2bbn h PHE 16 CO -0.13 -0.46 1.22 0.66 -0.60 0.00 0.00 178.31 179.00 2bbn h SER 17 N -1.13 0.00 0.12 2.17 4.64 -1.24 0.78 113.55 118.90 2bbn h SER 17 Ca -0.09 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.87 2bbn h SER 17 Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2bbn h SER 17 CO 0.15 0.00 -2.03 -0.11 -0.87 0.00 0.00 176.83 173.97 2bbn n LEU 18 N -3.94 2.64 0.12 5.97 7.94 -0.83 -4.54 117.00 124.36 2bbn n LEU 18 Ca 0.36 0.19 -0.06 0.00 -1.11 0.00 0.00 56.01 55.39 2bbn n LEU 18 Cb 1.72 -1.09 -0.03 0.00 0.53 0.00 0.00 43.42 44.56 2bbn n LEU 18 CO 0.41 0.85 0.17 0.15 -1.11 0.00 0.00 177.39 177.86 2bbn h PHE 19 N 0.07 -0.35 -0.14 1.96 3.04 0.42 -3.38 116.94 118.55 2bbn h PHE 19 Ca -0.43 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.44 2bbn h PHE 19 Cb 2.03 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 40.65 2bbn h PHE 19 CO 0.07 -0.22 0.23 -3.47 -2.02 0.00 0.00 178.31 172.90 2bbn n ASP 20 N -4.74 1.61 0.00 0.41 2.03 0.19 -4.64 116.55 111.42 2bbn n ASP 20 Ca -0.05 -2.53 0.03 0.00 0.52 0.00 0.00 54.79 52.77 2bbn n ASP 20 Cb 0.15 -1.71 0.16 0.00 -0.72 0.00 0.00 41.12 39.00 2bbn n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bbn n LYS 21 N 8.15 0.12 0.00 -0.67 5.02 -1.26 -3.78 118.16 125.74 2bbn n LYS 21 Ca 0.42 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2bbn n LYS 21 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.18 0.00 0.00 4.39 9.92 -1.26 -5.07 116.55 123.35 2bbn n ASP 22 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2bbn n ASP 22 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 23 N 2.63 0.31 0.32 0.44 0.00 -1.25 -5.00 105.19 102.65 2bbn n GLY 23 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 2bbn n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bbn h ASP 24 N 0.00 -1.02 -0.38 1.61 2.03 -1.98 -3.46 116.42 113.22 2bbn h ASP 24 Ca 0.00 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 2bbn h ASP 24 Cb 0.00 0.54 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 2bbn h ASP 24 CO 0.00 -0.28 0.00 0.61 -1.03 0.00 0.00 179.24 178.54 2bbn n GLY 25 N -1.45 0.88 3.21 7.15 0.00 -1.26 -5.10 105.19 108.62 2bbn n GLY 25 Ca 0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.18 0.00 -0.56 2.61 -4.23 -1.26 -4.74 115.64 105.28 2bbn s THR 26 Ca 0.00 -0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.21 2bbn s THR 26 Cb 0.00 -0.46 0.03 0.00 1.34 0.00 0.00 72.50 73.41 2bbn s THR 26 CO 0.00 -0.01 1.16 -0.63 -0.54 0.00 0.00 174.62 174.60 2bbn s ILE 27 N 0.10 4.08 0.39 2.99 -1.09 -1.15 -4.86 121.20 121.67 2bbn s ILE 27 Ca -0.01 0.94 0.01 0.00 -2.23 0.00 0.00 60.65 59.36 2bbn s ILE 27 Cb -0.02 -4.69 0.01 0.00 -1.58 0.00 0.00 42.46 36.17 2bbn s ILE 27 CO 0.01 -1.25 0.05 0.41 -1.23 0.00 0.00 174.94 172.92 2bbn n THR 28 N 6.69 0.00 0.02 2.92 -1.04 -1.26 -3.38 114.28 118.23 2bbn n THR 28 Ca 0.09 -1.80 -0.05 0.00 -2.04 0.00 0.00 64.05 60.25 2bbn n THR 28 Cb 0.49 0.29 0.15 0.00 -1.82 0.00 0.00 70.33 69.44 2bbn n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2bbn h THR 29 N 1.11 1.30 0.00 12.58 1.35 -1.94 0.46 112.91 127.77 2bbn h THR 29 Ca -0.31 -1.53 -0.19 0.00 -0.55 0.00 0.00 66.41 63.83 2bbn h THR 29 Cb 0.97 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 2bbn h THR 29 CO 0.51 0.47 -0.87 0.07 -0.25 0.00 0.00 175.52 175.46 2bbn h LYS 30 N 0.39 0.14 0.08 4.72 2.10 -1.97 0.25 116.57 122.27 2bbn h LYS 30 Ca 0.04 -0.15 -0.25 0.00 -2.00 0.00 0.00 60.65 58.28 2bbn h LYS 30 Cb 0.85 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2bbn h LYS 30 CO 0.07 0.92 -1.12 0.93 -2.00 0.00 0.00 179.45 178.25 2bbn h GLU 31 N 0.07 0.30 0.00 0.07 3.07 -1.84 -2.60 114.58 113.65 2bbn h GLU 31 Ca -0.03 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2bbn h GLU 31 Cb 1.50 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 2bbn h GLU 31 CO 0.13 1.16 -0.00 1.25 -1.40 0.00 0.00 179.01 180.15 2bbn h LEU 32 N 0.12 -0.00 -0.54 1.33 5.85 -0.06 -2.74 115.31 119.26 2bbn h LEU 32 Ca -0.11 -0.67 0.08 0.00 0.84 0.00 0.00 57.88 58.02 2bbn h LEU 32 Cb 1.81 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 2bbn h LEU 32 CO 0.18 0.67 0.21 1.23 -0.34 0.00 0.00 178.44 180.39 2bbn h GLY 33 N -0.67 0.74 0.00 3.75 0.00 -0.59 0.55 103.07 106.86 2bbn h GLY 33 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2bbn h GLY 33 CO 0.00 0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 2bbn n THR 34 N -4.99 0.00 0.07 4.70 -2.24 -0.98 0.44 114.28 111.29 2bbn n THR 34 Ca 0.06 1.37 -0.13 0.00 -2.27 0.00 0.00 64.05 63.08 2bbn n THR 34 Cb 0.22 -2.28 -0.06 0.00 -2.10 0.00 0.00 70.33 66.11 2bbn n THR 34 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bbn h VAL 35 N 0.00 0.20 -0.84 2.28 2.07 -1.43 0.10 116.25 118.63 2bbn h VAL 35 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 2bbn h VAL 35 Cb 0.00 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 29.86 2bbn h VAL 35 CO 0.00 0.00 0.35 -0.03 0.02 0.00 0.00 177.57 177.91 2bbn h MET 36 N -0.56 0.42 -0.06 1.57 -1.53 0.07 0.43 114.93 115.28 2bbn h MET 36 Ca 0.05 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.23 2bbn h MET 36 Cb 0.63 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 2bbn h MET 36 CO -0.28 0.28 -0.21 -0.09 0.14 0.00 0.00 176.91 176.74 2bbn h ARG 37 N 0.44 0.10 0.00 0.39 2.43 0.13 -1.93 114.38 115.93 2bbn h ARG 37 Ca 0.49 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 2bbn h ARG 37 Cb 0.84 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2bbn h ARG 37 CO -0.47 0.32 -0.09 1.03 -1.51 0.00 0.00 179.97 179.25 2bbn h SER 38 N 0.10 0.00 0.03 -3.80 0.87 0.17 -2.83 113.55 108.10 2bbn h SER 38 Ca 0.02 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.33 2bbn h SER 38 Cb 0.44 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2bbn h SER 38 CO 0.03 0.09 -0.99 -0.07 -0.53 0.00 0.00 176.83 175.37 2bbn h LEU 39 N 0.00 0.82 0.00 2.23 3.38 -0.98 -3.47 115.31 117.28 2bbn h LEU 39 Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2bbn h LEU 39 Cb 0.43 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2bbn h LEU 39 CO 0.01 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.64 2bbn n GLY 40 N 1.16 0.00 3.24 0.83 0.00 -1.07 -5.15 105.19 104.20 2bbn n GLY 40 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2bbn n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbn s GLN 41 N 0.00 1.29 -0.42 1.61 -0.21 -1.24 -5.06 119.66 115.63 2bbn s GLN 41 Ca 0.00 -1.65 0.02 0.00 0.02 0.00 0.00 55.36 53.76 2bbn s GLN 41 Cb 0.00 0.29 0.25 0.00 1.00 0.00 0.00 33.01 34.55 2bbn s GLN 41 CO 0.00 -0.44 1.02 -1.71 -2.12 0.00 0.00 175.29 172.04 2bbn n ASN 42 N -0.43 -2.26 -4.66 5.90 5.15 -1.26 -4.29 115.26 113.41 2bbn n ASN 42 Ca 0.02 -2.59 -0.29 0.00 -0.60 0.00 0.00 54.58 51.12 2bbn n ASN 42 Cb 0.65 1.35 0.17 0.00 -0.53 0.00 0.00 39.78 41.43 2bbn n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2bbn s PRO 43 N 0.50 0.56 0.00 1.20 0.04 -1.26 -5.04 135.00 131.00 2bbn s PRO 43 Ca 0.29 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2bbn s PRO 43 Cb 0.20 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 33.01 2bbn s PRO 43 CO -0.17 -2.71 0.00 0.25 0.04 0.00 0.00 177.00 174.41 2bbn n THR 44 N -4.20 0.00 -0.08 1.26 -2.24 -1.26 -4.99 114.28 102.77 2bbn n THR 44 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 2bbn n THR 44 Cb 0.55 -1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.22 0.50 -0.29 -0.78 4.71 -1.26 -3.97 120.64 118.32 2bbn n GLU 45 Ca 0.00 0.44 0.28 0.00 -0.01 0.00 0.00 57.16 57.87 2bbn n GLU 45 Cb 0.00 -1.63 0.63 0.00 -1.01 0.00 0.00 31.44 29.43 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 -0.93 2.65 -0.23 0.62 0.00 -2.01 0.81 119.26 120.17 2bbn h ALA 46 Ca -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2bbn h ALA 46 Cb 0.81 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2bbn h ALA 46 CO -0.06 -1.00 -0.07 1.49 0.00 0.00 0.00 179.25 179.61 2bbn h GLU 47 N 0.19 0.36 0.17 0.00 4.57 -1.96 -2.63 114.58 115.28 2bbn h GLU 47 Ca 0.55 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 2bbn h GLU 47 Cb 1.79 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.33 2bbn h GLU 47 CO -0.14 0.45 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.99 2bbn h LEU 48 N 0.34 -0.19 -0.95 1.64 3.38 0.51 -2.25 115.31 117.79 2bbn h LEU 48 Ca 0.07 -0.28 0.20 0.00 0.09 0.00 0.00 57.88 57.97 2bbn h LEU 48 Cb 0.35 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 2bbn h LEU 48 CO 0.02 0.20 0.53 1.56 0.09 0.00 0.00 178.44 180.84 2bbn h GLN 49 N -0.62 0.59 -0.31 1.13 1.08 -1.35 1.19 115.11 116.82 2bbn h GLN 49 Ca -0.02 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2bbn h GLN 49 Cb 0.46 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2bbn h GLN 49 CO 0.04 0.39 0.03 0.22 -0.95 0.00 0.00 178.83 178.56 2bbn h ASP 50 N 0.61 0.42 0.83 1.46 3.58 -1.34 0.58 116.42 122.56 2bbn h ASP 50 Ca 0.57 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2bbn h ASP 50 Cb 0.98 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2bbn h ASP 50 CO -0.44 0.46 0.00 0.80 -2.88 0.00 0.00 179.24 177.19 2bbn n MET 51 N -4.33 0.08 -0.10 0.28 1.56 0.39 -2.56 117.12 112.44 2bbn n MET 51 Ca 0.01 0.22 -0.20 0.00 -0.27 0.00 0.00 57.70 57.47 2bbn n MET 51 Cb 0.21 -1.63 -0.09 0.00 2.15 0.00 0.00 33.22 33.85 2bbn n MET 51 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2bbn n ILE 52 N -1.78 1.51 -0.25 1.12 2.08 0.11 -4.34 119.36 117.81 2bbn n ILE 52 Ca 0.04 -0.03 -0.04 0.00 0.56 0.00 0.00 62.75 63.28 2bbn n ILE 52 Cb 0.27 -2.09 0.06 0.00 -0.75 0.00 0.00 39.64 37.13 2bbn n ILE 52 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 2bbn h ASN 53 N -1.00 0.76 0.00 4.38 -0.73 -1.37 1.16 115.58 118.77 2bbn h ASN 53 Ca -0.33 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.83 2bbn h ASN 53 Cb 1.20 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2bbn h ASN 53 CO -0.20 0.54 0.00 -0.62 -0.37 0.00 0.00 177.43 176.78 2bbn n GLU 54 N -4.63 0.08 0.00 6.67 -0.58 -1.06 -2.53 120.64 118.59 2bbn n GLU 54 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2bbn n GLU 54 Cb 0.05 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2bbn n VAL 55 N -0.63 0.00 -2.69 2.62 3.14 -0.34 -5.01 118.33 115.42 2bbn n VAL 55 Ca 0.01 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.96 2bbn n VAL 55 Cb 0.00 0.24 -0.01 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.00 6.76 0.07 6.55 -1.08 0.38 -4.85 116.67 124.51 2bbn s ASP 56 Ca 0.00 -2.22 -0.20 0.00 -0.52 0.00 0.00 52.55 49.61 2bbn s ASP 56 Cb 0.00 -2.52 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 2bbn s ASP 56 CO 0.00 -1.17 1.33 0.00 0.52 0.00 0.00 175.17 175.85 2bbn h ALA 57 N 8.29 -0.63 -3.00 3.66 0.00 -1.87 -3.31 119.26 122.39 2bbn h ALA 57 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2bbn h ALA 57 Cb 0.93 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2bbn h ALA 57 CO 1.36 -0.78 0.00 -3.47 0.00 0.00 0.00 179.25 176.36 2bbn n ASP 58 N -4.29 0.00 0.00 0.00 2.03 -1.26 -5.00 116.55 108.03 2bbn n ASP 58 Ca -0.03 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2bbn n ASP 58 Cb 0.21 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bbn n GLY 59 N 0.10 0.00 1.21 0.27 0.00 -1.25 -5.02 105.19 100.50 2bbn n GLY 59 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2bbn n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbn n ASN 60 N 0.00 3.54 0.00 1.61 5.03 -1.26 -4.89 115.26 119.30 2bbn n ASN 60 Ca 0.00 -2.23 0.00 0.00 0.87 0.00 0.00 54.58 53.22 2bbn n ASN 60 Cb 0.00 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bbn n GLY 61 N 1.11 2.10 2.88 7.41 0.00 -1.26 -4.89 105.19 112.54 2bbn n GLY 61 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.67 0.04 -0.04 2.61 -4.23 -1.26 -4.62 115.64 107.47 2bbn s THR 62 Ca 0.00 -0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 2bbn s THR 62 Cb 0.00 -0.05 -0.05 0.00 1.34 0.00 0.00 72.50 73.74 2bbn s THR 62 CO 0.00 0.00 0.47 0.27 -0.54 0.00 0.00 174.62 174.82 2bbn s ILE 63 N -0.04 5.06 0.00 2.99 -4.36 -1.22 -4.95 121.20 118.69 2bbn s ILE 63 Ca -0.00 0.95 0.00 0.00 -0.26 0.00 0.00 60.65 61.34 2bbn s ILE 63 Cb -0.00 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 39.92 2bbn s ILE 63 CO -0.00 0.46 0.00 -0.67 0.24 0.00 0.00 174.94 174.97 2bbn n ASP 64 N 2.68 0.00 -0.04 4.36 -0.08 -1.26 -2.91 116.55 119.30 2bbn n ASP 64 Ca -0.10 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2bbn n ASP 64 Cb 0.52 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2bbn h PHE 65 N 0.00 0.00 -0.81 -0.67 0.04 -1.97 -2.81 116.94 110.71 2bbn h PHE 65 Ca 0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 2bbn h PHE 65 Cb 0.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 2bbn h PHE 65 CO 0.00 0.00 0.45 -1.35 -0.60 0.00 0.00 178.31 176.81 2bbn h PRO 66 N -0.84 0.72 -0.64 1.51 0.10 -1.99 -1.55 132.00 129.30 2bbn h PRO 66 Ca 0.00 -0.04 -0.05 0.00 0.10 0.00 0.00 66.00 66.01 2bbn h PRO 66 Cb 0.01 -0.16 -0.03 0.00 0.10 0.00 0.00 31.00 30.92 2bbn h PRO 66 CO 0.00 0.48 0.21 0.93 0.10 0.00 0.00 178.00 179.72 2bbn h GLU 67 N 0.74 0.98 0.69 1.05 5.08 -1.95 -0.50 114.58 120.68 2bbn h GLU 67 Ca 0.40 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2bbn h GLU 67 Cb 0.40 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2bbn h GLU 67 CO -0.27 0.86 -0.39 0.35 -1.00 0.00 0.00 179.01 178.56 2bbn h PHE 68 N 0.91 -1.04 -0.74 4.33 3.04 -1.02 -0.63 116.94 121.79 2bbn h PHE 68 Ca 0.21 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.25 2bbn h PHE 68 Cb 0.27 0.36 -0.05 0.00 2.56 0.00 0.00 35.95 39.10 2bbn h PHE 68 CO 0.02 -0.60 0.49 -0.07 -2.02 0.00 0.00 178.31 176.12 2bbn h LEU 69 N -1.00 0.53 -1.34 0.59 3.38 -1.41 0.66 115.31 116.71 2bbn h LEU 69 Ca -0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2bbn h LEU 69 Cb 0.79 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2bbn h LEU 69 CO 0.11 0.31 0.02 0.74 0.09 0.00 0.00 178.44 179.71 2bbn h THR 70 N 0.58 1.17 0.00 0.22 2.02 -0.68 1.45 112.91 117.67 2bbn h THR 70 Ca 0.35 -0.66 -0.20 0.00 0.77 0.00 0.00 66.41 66.67 2bbn h THR 70 Cb 0.56 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2bbn h THR 70 CO -0.12 0.23 -0.93 -0.03 0.37 0.00 0.00 175.52 175.04 2bbn h MET 71 N 0.45 0.01 0.00 6.66 1.85 0.68 0.33 114.93 124.91 2bbn h MET 71 Ca 0.10 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 2bbn h MET 71 Cb 0.26 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.29 2bbn h MET 71 CO 0.00 0.93 -0.93 -0.12 -0.40 0.00 0.00 176.91 176.39 2bbn n MET 72 N -3.44 0.24 -0.10 0.39 0.00 -0.60 -4.46 117.12 109.15 2bbn n MET 72 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 2bbn n MET 72 Cb 0.88 -1.59 -0.04 0.00 0.00 0.00 0.00 33.22 32.47 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 -1.77 0.88 -1.54 -5.12 0.00 0.49 -4.74 120.51 108.71 2bbn n ALA 73 Ca 0.03 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 2bbn n ALA 73 Cb 0.42 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.44 0.28 -3.18 0.00 0.00 0.10 -4.85 116.66 104.58 2bbn n ARG 74 Ca -0.20 -1.20 -0.44 0.00 -0.00 0.00 0.00 57.85 56.01 2bbn n ARG 74 Cb 0.55 -3.59 -0.06 0.00 0.00 0.00 0.00 32.46 29.36 2bbn n ARG 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2bbn s LYS 75 N 8.50 3.12 -0.66 -0.14 -0.14 -1.26 -4.85 119.74 124.31 2bbn s LYS 75 Ca 0.85 -0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 54.31 2bbn s LYS 75 Cb -0.11 -4.09 -0.05 0.00 -1.68 0.00 0.00 37.83 31.90 2bbn s LYS 75 CO 0.15 -1.18 2.09 1.41 -0.76 0.00 0.00 175.35 177.06 2bbn s MET 76 N 2.55 2.34 3.05 1.68 -2.45 -1.26 -4.79 119.30 120.42 2bbn s MET 76 Ca 0.15 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 55.22 2bbn s MET 76 Cb -0.19 -4.62 0.00 0.00 1.25 0.00 0.00 34.83 31.27 2bbn s MET 76 CO 0.12 -3.22 0.00 1.17 1.05 0.00 0.00 175.02 174.14 2bbn n LYS 77 N 9.03 0.00 -3.70 4.11 3.00 -1.26 -4.75 118.16 124.60 2bbn n LYS 77 Ca 0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.49 2bbn n LYS 77 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.45 2bbn n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2bbn s ASP 78 N -4.00 -0.47 0.00 3.14 2.15 -1.26 -5.03 116.67 111.20 2bbn s ASP 78 Ca 0.00 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.80 2bbn s ASP 78 Cb 0.00 0.84 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 2bbn s ASP 78 CO 0.00 -0.26 0.42 0.35 -0.17 0.00 0.00 175.17 175.51 2bbn n THR 79 N 2.38 0.00 -3.46 1.71 -2.24 -1.26 -5.00 114.28 106.40 2bbn n THR 79 Ca -0.15 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 2bbn n THR 79 Cb 0.57 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.14 -6.08 -4.38 3.42 8.00 -1.26 -4.94 116.55 111.17 2bbn n ASP 80 Ca 0.00 -0.49 -0.45 0.00 0.71 0.00 0.00 54.79 54.56 2bbn n ASP 80 Cb 0.00 -4.83 -0.07 0.00 -0.02 0.00 0.00 41.12 36.21 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bbn s SER 81 N -3.12 6.17 -0.06 -2.24 0.15 -1.26 -4.88 113.70 108.46 2bbn s SER 81 Ca 0.51 -1.34 0.16 0.00 0.70 0.00 0.00 55.95 55.98 2bbn s SER 81 Cb -0.23 -2.22 0.55 0.00 -1.71 0.00 0.00 66.02 62.41 2bbn s SER 81 CO 0.63 -0.78 1.44 -0.62 1.20 0.00 0.00 173.24 175.12 2bbn n GLU 82 N 5.52 2.87 -0.21 5.44 1.02 -1.26 -4.31 120.64 129.71 2bbn n GLU 82 Ca -0.11 -2.21 -0.01 0.00 -0.02 0.00 0.00 57.16 54.81 2bbn n GLU 82 Cb 0.43 -1.65 0.21 0.00 -0.02 0.00 0.00 31.44 30.41 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 83 N 3.32 0.98 0.00 3.49 4.39 -1.99 -2.22 114.58 122.54 2bbn h GLU 83 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2bbn h GLU 83 Cb 1.05 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2bbn h GLU 83 CO 0.12 0.71 0.00 0.39 -1.16 0.00 0.00 179.01 179.07 2bbn n GLU 84 N -4.37 0.00 -0.29 2.33 1.02 -1.26 -0.73 120.64 117.34 2bbn n GLU 84 Ca 0.07 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 57.74 2bbn n GLU 84 Cb 0.10 -1.23 0.25 0.00 -0.02 0.00 0.00 31.44 30.54 2bbn n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bbn h ILE 85 N 0.00 0.27 -0.14 -3.67 5.03 -1.89 -0.85 117.51 116.26 2bbn h ILE 85 Ca 0.00 -0.05 0.03 0.00 -0.12 0.00 0.00 64.86 64.72 2bbn h ILE 85 Cb 0.00 0.12 -0.05 0.00 -3.03 0.00 0.00 36.82 33.85 2bbn h ILE 85 CO 0.00 0.03 -0.43 -0.09 -0.68 0.00 0.00 178.15 176.97 2bbn h ARG 86 N 0.14 -0.42 -0.69 2.37 9.65 -0.99 -1.32 114.38 123.13 2bbn h ARG 86 Ca 0.52 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.54 2bbn h ARG 86 Cb 1.02 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 29.57 2bbn h ARG 86 CO -0.70 -0.28 -0.35 0.93 2.80 0.00 0.00 179.97 182.36 2bbn h GLU 87 N -0.44 -0.12 -1.11 0.20 5.08 0.53 1.37 114.58 120.09 2bbn h GLU 87 Ca 0.03 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.71 2bbn h GLU 87 Cb 0.53 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 2bbn h GLU 87 CO -0.37 -0.08 0.76 0.00 -1.00 0.00 0.00 179.01 178.32 2bbn h ALA 88 N 1.06 2.70 0.36 3.43 0.00 -0.95 0.12 119.26 125.99 2bbn h ALA 88 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2bbn h ALA 88 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2bbn h ALA 88 CO -0.75 -1.08 -0.17 0.35 0.00 0.00 0.00 179.25 177.60 2bbn h PHE 89 N 0.18 -0.45 -0.47 0.00 3.57 0.29 -2.80 116.94 117.26 2bbn h PHE 89 Ca 0.58 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.21 2bbn h PHE 89 Cb 1.92 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.78 2bbn h PHE 89 CO -0.00 -0.12 0.37 -0.09 -2.23 0.00 0.00 178.31 176.24 2bbn h ARG 90 N -0.96 0.00 0.68 1.11 2.43 0.07 -2.19 114.38 115.51 2bbn h ARG 90 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2bbn h ARG 90 Cb 0.53 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2bbn h ARG 90 CO 0.08 0.00 -0.33 0.28 -1.51 0.00 0.00 179.97 178.49 2bbn h VAL 91 N 0.00 0.14 -0.85 0.20 2.07 -0.74 -3.06 116.25 114.01 2bbn h VAL 91 Ca 0.22 -0.29 0.22 0.00 0.82 0.00 0.00 66.70 67.68 2bbn h VAL 91 Cb 0.96 0.19 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 2bbn h VAL 91 CO -0.00 0.02 0.21 -0.26 0.02 0.00 0.00 177.57 177.56 2bbn h PHE 92 N -1.16 0.31 -2.50 1.57 0.04 -1.13 -3.28 116.94 110.79 2bbn h PHE 92 Ca -0.09 0.05 -0.58 0.00 2.80 0.00 0.00 57.97 60.15 2bbn h PHE 92 Cb 0.73 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.77 2bbn h PHE 92 CO 0.00 -0.19 0.82 -0.51 -0.60 0.00 0.00 178.31 177.83 2bbn s ASP 93 N -5.12 6.17 0.16 2.17 1.11 -1.08 -4.67 116.67 115.40 2bbn s ASP 93 Ca -0.12 -0.69 0.04 0.00 0.18 0.00 0.00 52.55 51.95 2bbn s ASP 93 Cb 0.25 -2.50 -0.02 0.00 1.07 0.00 0.00 42.92 41.72 2bbn s ASP 93 CO 0.77 -1.66 1.37 0.07 1.18 0.00 0.00 175.17 176.90 2bbn h LYS 94 N 9.82 0.14 0.00 8.23 5.09 -1.75 -3.46 116.57 134.64 2bbn h LYS 94 Ca -0.28 -0.17 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2bbn h LYS 94 Cb 1.06 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.44 2bbn h LYS 94 CO 1.23 0.94 0.00 -0.40 -2.09 0.00 0.00 179.45 179.13 2bbn n ASP 95 N -3.61 0.00 -4.32 7.07 5.68 -1.26 -5.04 116.55 115.07 2bbn n ASP 95 Ca -0.03 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.90 2bbn n ASP 95 Cb 0.82 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.86 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 96 N 5.00 -2.55 3.02 6.12 0.00 -1.26 -4.96 105.19 110.56 2bbn n GLY 96 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 2bbn n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bbn s ASN 97 N -1.36 2.66 0.00 1.61 0.01 -1.26 -4.72 114.94 111.87 2bbn s ASN 97 Ca 0.58 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 2bbn s ASN 97 Cb -0.33 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.17 2bbn s ASN 97 CO 0.66 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.80 2bbn n GLY 98 N 4.76 0.38 3.35 0.66 0.00 -1.26 -5.14 105.19 107.95 2bbn n GLY 98 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.31 -0.12 1.61 0.40 -1.26 -4.32 117.98 113.97 2bbn s PHE 99 Ca 0.00 0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.52 2bbn s PHE 99 Cb 0.00 0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.77 2bbn s PHE 99 CO 0.00 -0.63 0.05 0.42 0.70 0.00 0.00 175.22 175.75 2bbn s ILE 100 N -2.81 4.70 0.27 0.64 1.01 -0.97 -4.90 121.20 119.13 2bbn s ILE 100 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.62 2bbn s ILE 100 Cb -0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2bbn s ILE 100 CO -0.05 0.57 0.01 -0.55 0.00 0.00 0.00 174.94 174.92 2bbn s SER 101 N -0.57 4.60 0.04 3.58 0.15 -1.26 -3.47 113.70 116.78 2bbn s SER 101 Ca 0.10 -0.62 -0.27 0.00 0.70 0.00 0.00 55.95 55.87 2bbn s SER 101 Cb -0.12 -0.88 -0.17 0.00 -1.71 0.00 0.00 66.02 63.14 2bbn s SER 101 CO 0.02 -0.00 1.45 0.00 1.20 0.00 0.00 173.24 175.91 2bbn h ALA 102 N 1.86 -0.43 -0.18 5.45 0.00 -1.99 -1.37 119.26 122.60 2bbn h ALA 102 Ca -0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2bbn h ALA 102 Cb 1.25 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2bbn h ALA 102 CO 0.60 -0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.32 2bbn h ALA 103 N -0.00 0.23 0.36 0.00 0.00 -1.98 0.19 119.26 118.06 2bbn h ALA 103 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bbn h ALA 103 Cb 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2bbn h ALA 103 CO 0.07 -0.26 -0.52 1.49 0.00 0.00 0.00 179.25 180.03 2bbn h GLU 104 N 0.22 -0.89 -0.57 0.00 4.81 -1.96 -2.43 114.58 113.75 2bbn h GLU 104 Ca 0.07 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2bbn h GLU 104 Cb 0.02 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2bbn h GLU 104 CO -0.01 -0.59 0.38 1.25 -0.73 0.00 0.00 179.01 179.30 2bbn h LEU 105 N -0.92 0.65 -0.86 1.64 5.85 -1.19 -2.56 115.31 117.92 2bbn h LEU 105 Ca -0.04 -0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.86 2bbn h LEU 105 Cb 0.84 -0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.55 2bbn h LEU 105 CO -0.15 0.47 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.26 2bbn h ARG 106 N 0.77 0.04 -0.45 1.25 2.43 -0.22 1.70 114.38 119.91 2bbn h ARG 106 Ca 0.21 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2bbn h ARG 106 Cb -0.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2bbn h ARG 106 CO -0.05 0.03 0.15 0.45 -1.51 0.00 0.00 179.97 179.04 2bbn h HIS 107 N 0.04 0.71 0.00 2.20 3.86 -1.04 0.31 115.15 121.23 2bbn h HIS 107 Ca 0.46 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2bbn h HIS 107 Cb 0.83 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2bbn h HIS 107 CO -0.53 0.63 0.00 0.28 0.86 0.00 0.00 177.93 179.17 2bbn n VAL 108 N -4.57 0.69 0.01 2.45 0.31 0.19 -2.33 118.33 115.08 2bbn n VAL 108 Ca 0.01 0.09 0.10 0.00 -0.01 0.00 0.00 64.34 64.52 2bbn n VAL 108 Cb 0.18 -0.89 -0.13 0.00 -0.91 0.00 0.00 33.84 32.08 2bbn n VAL 108 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2bbn n MET 109 N -1.92 0.65 0.03 5.55 0.00 0.53 -4.21 117.12 117.74 2bbn n MET 109 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 57.70 57.55 2bbn n MET 109 Cb 0.27 -1.59 -0.13 0.00 0.00 0.00 0.00 33.22 31.78 2bbn n MET 109 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2bbn h THR 110 N 0.00 1.32 -1.07 1.12 1.35 -0.14 -3.32 112.91 112.16 2bbn h THR 110 Ca -0.03 -3.09 0.37 0.00 -0.55 0.00 0.00 66.41 63.12 2bbn h THR 110 Cb 1.07 2.65 -0.15 0.00 -1.73 0.00 0.00 68.15 69.99 2bbn h THR 110 CO 0.00 0.75 0.63 0.78 -0.25 0.00 0.00 175.52 177.43 2bbn h ASN 111 N 0.00 0.40 0.00 5.36 4.21 -1.63 -3.25 115.58 120.67 2bbn h ASN 111 Ca -0.13 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.58 2bbn h ASN 111 Cb 1.87 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 39.24 2bbn h ASN 111 CO 0.11 -0.23 0.00 0.18 -1.29 0.00 0.00 177.43 176.20 2bbn n LEU 112 N -5.02 0.00 0.00 1.61 4.77 -1.25 -5.03 117.00 112.08 2bbn n LEU 112 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2bbn n LEU 112 Cb 1.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 2bbn n LEU 112 CO 0.10 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2bbn n GLY 113 N 0.88 0.00 0.00 -0.72 0.00 -1.23 -5.13 105.19 98.99 2bbn n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -2.25 1.61 2.13 -1.26 -5.04 120.64 115.83 2bbn n GLU 114 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2bbn n GLU 114 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 2bbn n GLU 114 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2bbn n LYS 115 N 0.00 0.64 -3.37 5.31 4.81 -1.26 -5.15 118.16 119.13 2bbn n LYS 115 Ca 0.00 -0.75 -0.22 0.00 -0.87 0.00 0.00 58.31 56.47 2bbn n LYS 115 Cb 0.00 0.14 0.03 0.00 0.02 0.00 0.00 35.03 35.22 2bbn n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2bbn s LEU 116 N -2.18 2.99 0.00 3.14 1.43 -1.26 -5.06 118.68 117.74 2bbn s LEU 116 Ca 0.06 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2bbn s LEU 116 Cb 0.21 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2bbn s LEU 116 CO -0.06 -1.20 0.00 1.07 0.23 0.00 0.00 176.35 176.39 2bbn n THR 117 N -2.02 0.00 -0.06 5.49 5.66 -1.26 -5.03 114.28 117.07 2bbn n THR 117 Ca 0.08 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.86 2bbn n THR 117 Cb 0.62 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.28 2bbn n THR 117 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2bbn n ASP 118 N 0.00 1.99 0.36 1.09 8.00 -1.26 -3.61 116.55 123.13 2bbn n ASP 118 Ca 0.00 0.30 -0.18 0.00 0.71 0.00 0.00 54.79 55.62 2bbn n ASP 118 Cb 0.00 -0.89 -0.09 0.00 -0.02 0.00 0.00 41.12 40.12 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2bbn h GLU 119 N -0.47 -0.91 0.39 -1.24 5.08 -1.99 -0.57 114.58 114.87 2bbn h GLU 119 Ca -0.41 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2bbn h GLU 119 Cb 1.68 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 31.11 2bbn h GLU 119 CO -0.08 -0.61 -0.48 0.93 -1.00 0.00 0.00 179.01 177.77 2bbn h GLU 120 N -0.94 -0.86 -0.92 2.33 5.08 -1.96 -1.13 114.58 116.17 2bbn h GLU 120 Ca -0.09 0.06 0.24 0.00 -1.00 0.00 0.00 59.36 58.57 2bbn h GLU 120 Cb 0.74 0.20 -0.13 0.00 0.50 0.00 0.00 28.75 30.06 2bbn h GLU 120 CO 0.12 -0.58 0.42 0.28 -1.00 0.00 0.00 179.01 178.25 2bbn h VAL 121 N -0.90 0.43 -0.60 3.13 2.07 -1.61 0.38 116.25 119.15 2bbn h VAL 121 Ca -0.04 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.47 2bbn h VAL 121 Cb 0.81 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.49 2bbn h VAL 121 CO -0.11 0.07 -0.11 -0.78 0.02 0.00 0.00 177.57 176.66 2bbn h ASP 122 N 0.38 -0.48 0.22 0.57 1.82 0.18 0.68 116.42 119.80 2bbn h ASP 122 Ca 0.59 0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 57.38 2bbn h ASP 122 Cb 1.18 0.34 -0.00 0.00 0.68 0.00 0.00 39.33 41.53 2bbn h ASP 122 CO -0.55 -0.18 -0.10 -0.08 -1.61 0.00 0.00 179.24 176.72 2bbn h GLU 123 N 0.03 0.00 0.14 0.28 4.81 0.13 0.23 114.58 120.20 2bbn h GLU 123 Ca 0.29 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.30 2bbn h GLU 123 Cb 0.46 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.86 2bbn h GLU 123 CO -0.59 0.10 -0.97 0.52 -0.73 0.00 0.00 179.01 177.34 2bbn h MET 124 N 0.00 0.41 -0.12 1.92 2.86 0.73 -2.65 114.93 118.08 2bbn h MET 124 Ca -0.00 -0.63 -0.23 0.00 -2.06 0.00 0.00 59.70 56.78 2bbn h MET 124 Cb 0.24 0.22 0.01 0.00 0.06 0.00 0.00 31.60 32.14 2bbn h MET 124 CO 0.01 1.28 -0.83 0.82 1.06 0.00 0.00 176.91 179.25 2bbn h ILE 125 N -0.14 1.28 0.52 -1.22 2.04 -0.15 -1.76 117.51 118.08 2bbn h ILE 125 Ca -0.16 -2.03 -0.03 0.00 1.00 0.00 0.00 64.86 63.64 2bbn h ILE 125 Cb 1.73 2.06 0.01 0.00 -0.74 0.00 0.00 36.82 39.88 2bbn h ILE 125 CO 0.18 0.64 -0.25 -0.09 0.00 0.00 0.00 178.15 178.63 2bbn h ARG 126 N 0.51 -0.67 -0.26 2.37 2.43 -0.66 0.45 114.38 118.55 2bbn h ARG 126 Ca -0.07 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2bbn h ARG 126 Cb 1.47 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 2bbn h ARG 126 CO 0.17 -0.43 0.12 1.49 -1.51 0.00 0.00 179.97 179.81 2bbn h GLU 127 N -0.74 0.35 -0.04 0.20 4.57 -1.55 -2.20 114.58 115.18 2bbn h GLU 127 Ca -0.07 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 57.85 2bbn h GLU 127 Cb 0.56 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2bbn h GLU 127 CO 0.12 0.28 -0.89 0.00 -1.18 0.00 0.00 179.01 177.34 2bbn h ALA 128 N 1.78 0.37 -0.10 2.92 0.00 -0.94 -3.35 119.26 119.94 2bbn h ALA 128 Ca 0.09 -0.67 -0.69 0.00 0.00 0.00 0.00 54.91 53.64 2bbn h ALA 128 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2bbn h ALA 128 CO -0.01 0.77 2.88 -3.47 0.00 0.00 0.00 179.25 179.41 2bbn n ASP 129 N -3.81 3.76 -0.24 0.00 2.03 0.16 -4.76 116.55 113.70 2bbn n ASP 129 Ca -0.07 -2.82 -0.03 0.00 0.52 0.00 0.00 54.79 52.39 2bbn n ASP 129 Cb 0.80 -1.59 0.03 0.00 -0.72 0.00 0.00 41.12 39.64 2bbn n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2bbn h ILE 130 N 4.28 0.16 0.07 5.18 2.04 -1.75 -0.75 117.51 126.74 2bbn h ILE 130 Ca 0.53 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.41 2bbn h ILE 130 Cb 0.67 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2bbn h ILE 130 CO 1.84 0.00 -0.33 0.44 0.00 0.00 0.00 178.15 180.10 2bbn h ASP 131 N -0.11 -0.97 0.00 1.72 3.32 -1.93 -3.47 116.42 114.98 2bbn h ASP 131 Ca 0.27 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2bbn h ASP 131 Cb 0.56 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2bbn h ASP 131 CO -0.74 -0.41 0.00 0.61 -1.72 0.00 0.00 179.24 176.99 2bbn n GLY 132 N -1.42 1.61 0.21 2.75 0.00 -0.29 -4.98 105.19 103.07 2bbn n GLY 132 Ca -0.06 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.94 2bbn n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bbn h ASP 133 N 0.00 0.10 0.00 1.61 3.32 -1.91 -3.46 116.42 116.08 2bbn h ASP 133 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2bbn h ASP 133 Cb 0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bbn h ASP 133 CO 0.00 0.38 0.00 0.61 -1.72 0.00 0.00 179.24 178.51 2bbn n GLY 134 N -0.63 3.97 3.51 2.75 0.00 -1.26 -5.12 105.19 108.41 2bbn n GLY 134 Ca -0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 1.86 -0.21 1.61 -0.21 -1.26 -5.00 119.66 116.45 2bbn s GLN 135 Ca 0.00 -2.11 -0.15 0.00 0.02 0.00 0.00 55.36 53.12 2bbn s GLN 135 Cb 0.00 -0.78 -0.04 0.00 1.00 0.00 0.00 33.01 33.19 2bbn s GLN 135 CO 0.00 -0.37 0.37 0.08 -2.12 0.00 0.00 175.29 173.25 2bbn s VAL 136 N -3.21 5.22 0.00 1.09 1.01 -1.23 -4.84 120.40 118.43 2bbn s VAL 136 Ca 0.27 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2bbn s VAL 136 Cb 0.05 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2bbn s VAL 136 CO 0.14 0.26 0.00 -3.20 0.00 0.00 0.00 175.10 172.30 2bbn n ASN 137 N 4.49 0.00 0.06 3.32 2.85 -1.26 -2.30 115.26 122.42 2bbn n ASN 137 Ca -0.09 -0.73 -0.10 0.00 -0.11 0.00 0.00 54.58 53.55 2bbn n ASN 137 Cb 0.51 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.40 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 -0.25 0.15 0.00 1.20 5.03 -1.99 -3.27 116.97 117.85 2bbn h TYR 138 Ca 0.00 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.20 2bbn h TYR 138 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.27 2bbn h TYR 138 CO 0.00 1.11 0.00 0.39 -1.32 0.00 0.00 178.16 178.34 2bbn n GLU 139 N -3.35 0.00 0.02 1.82 1.02 -1.26 0.02 120.64 118.91 2bbn n GLU 139 Ca -0.06 0.44 0.21 0.00 -0.02 0.00 0.00 57.16 57.72 2bbn n GLU 139 Cb 0.99 -1.41 0.53 0.00 -0.02 0.00 0.00 31.44 31.52 2bbn n GLU 139 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 140 N 0.00 0.00 0.14 3.49 5.08 -1.91 0.78 114.58 122.15 2bbn h GLU 140 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2bbn h GLU 140 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 2bbn h GLU 140 CO 0.00 0.00 -0.87 0.35 -1.00 0.00 0.00 179.01 177.49 2bbn h PHE 141 N 0.00 0.54 -0.01 4.33 3.57 -1.51 -1.87 116.94 122.00 2bbn h PHE 141 Ca 0.28 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2bbn h PHE 141 Cb 1.96 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.68 2bbn h PHE 141 CO 0.00 1.33 -0.01 1.55 -2.23 0.00 0.00 178.31 178.96 2bbn n VAL 142 N -4.10 0.00 -0.04 1.41 3.14 0.21 -2.47 118.33 116.48 2bbn n VAL 142 Ca -0.15 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2bbn n VAL 142 Cb 0.83 0.02 -0.12 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.42 0.50 0.00 1.55 -1.04 0.20 -3.68 114.28 111.40 2bbn n THR 143 Ca 0.21 -0.49 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 2bbn n THR 143 Cb 0.24 -0.24 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.26 -0.61 -2.82 1.85 -1.36 -3.35 114.93 108.90 2bbn h MET 144 Ca -0.20 -0.44 -0.03 0.00 -0.61 0.00 0.00 59.70 58.42 2bbn h MET 144 Cb 1.31 0.16 -0.02 0.00 0.43 0.00 0.00 31.60 33.49 2bbn h MET 144 CO 0.01 1.21 0.04 -1.33 -0.40 0.00 0.00 176.91 176.44 2bbn n MET 145 N -3.59 4.75 -1.58 0.39 2.00 -1.03 -5.00 117.12 113.07 2bbn n MET 145 Ca -0.31 -3.15 -0.37 0.00 0.00 0.00 0.00 57.70 53.87 2bbn n MET 145 Cb 1.02 -2.27 0.06 0.00 0.00 0.00 0.00 33.22 32.03 2bbn n MET 145 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2bbn n THR 146 N 0.51 3.70 -2.35 2.03 5.66 -1.24 -4.83 114.28 117.76 2bbn n THR 146 Ca 0.30 -0.48 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 2bbn n THR 146 Cb 1.23 -1.15 -0.04 0.00 -1.55 0.00 0.00 70.33 68.83 2bbn n THR 146 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2bbn s SER 147 N -1.34 5.94 0.00 1.09 0.01 -1.26 -5.06 113.70 113.08 2bbn s SER 147 Ca 0.76 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2bbn s SER 147 Cb -0.40 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.27 2bbn s SER 147 CO 0.47 -2.01 0.00 0.29 0.41 0.00 0.00 173.24 172.40