#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbn n ALA 2 N 0.00 0.00 -2.57 -1.84 0.00 -1.26 -5.08 120.51 109.76 1bbn n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1bbn n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1bbn n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bbn s GLU 3 N -1.21 3.61 0.00 0.00 2.02 -1.26 -4.94 118.70 116.93 1bbn s GLU 3 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1bbn s GLU 3 Cb 0.00 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1bbn s GLU 3 CO 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 175.26 174.32 1bbn n ALA 4 N 6.54 0.00 -3.60 5.21 0.00 -1.26 -5.10 120.51 122.30 1bbn n ALA 4 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 1bbn n ALA 4 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1bbn n ALA 4 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1bbn s HIS 5 N -2.64 3.46 -0.72 0.00 3.76 -1.26 -5.01 115.29 112.89 1bbn s HIS 5 Ca 0.00 -2.04 -0.25 0.00 -0.15 0.00 0.00 55.06 52.62 1bbn s HIS 5 Cb 0.00 -3.05 -0.14 0.00 1.11 0.00 0.00 32.58 30.50 1bbn s HIS 5 CO 0.00 -0.92 2.43 1.63 -0.85 0.00 0.00 174.74 177.03 1bbn n LYS 6 N 4.72 0.63 0.00 1.40 4.01 -1.26 -2.99 118.16 124.67 1bbn n LYS 6 Ca -0.06 -0.31 0.00 0.00 -0.51 0.00 0.00 58.31 57.43 1bbn n LYS 6 Cb 0.42 -3.03 0.00 0.00 -0.51 0.00 0.00 35.03 31.91 1bbn n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bbn h ASP 8 N 0.00 0.37 0.00 0.00 1.82 -1.94 -3.12 116.42 113.55 1bbn h ASP 8 Ca 0.00 -0.78 0.00 0.00 -0.39 0.00 0.00 57.03 55.86 1bbn h ASP 8 Cb 0.00 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.90 1bbn h ASP 8 CO 0.00 1.10 -0.28 -0.38 -1.61 0.00 0.00 179.24 178.07 1bbn n ILE 9 N -4.36 0.73 -0.16 2.25 5.41 -1.26 -3.25 119.36 118.72 1bbn n ILE 9 Ca -0.10 0.35 0.08 0.00 1.00 0.00 0.00 62.75 64.08 1bbn n ILE 9 Cb 0.59 -1.96 0.38 0.00 -0.71 0.00 0.00 39.64 37.94 1bbn n ILE 9 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1bbn h THR 10 N -0.52 0.99 0.10 1.39 2.02 -1.93 -2.29 112.91 112.68 1bbn h THR 10 Ca 0.00 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.74 1bbn h THR 10 Cb 0.28 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1bbn h THR 10 CO 0.00 0.13 -0.98 -0.07 0.37 0.00 0.00 175.52 174.96 1bbn h LEU 11 N 0.69 0.34 -1.61 2.58 4.07 -1.77 -2.33 115.31 117.27 1bbn h LEU 11 Ca 0.31 -0.89 0.04 0.00 0.08 0.00 0.00 57.88 57.42 1bbn h LEU 11 Cb 0.32 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 1bbn h LEU 11 CO -0.10 1.44 0.32 0.06 -1.08 0.00 0.00 178.44 179.08 1bbn h GLN 12 N -0.47 0.48 -0.17 1.13 3.07 -1.48 0.19 115.11 117.86 1bbn h GLN 12 Ca -0.20 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.33 1bbn h GLN 12 Cb 1.58 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 29.03 1bbn h GLN 12 CO 0.07 0.32 -0.63 1.49 0.09 0.00 0.00 178.83 180.17 1bbn h GLU 13 N 0.50 0.62 0.00 0.06 4.81 -1.50 -2.26 114.58 116.80 1bbn h GLU 13 Ca 0.20 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1bbn h GLU 13 Cb 0.16 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1bbn h GLU 13 CO -0.05 1.05 0.00 0.82 -0.73 0.00 0.00 179.01 180.10 1bbn h ILE 14 N 0.46 0.00 0.01 2.32 2.04 -0.17 -2.27 117.51 119.90 1bbn h ILE 14 Ca -0.01 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1bbn h ILE 14 Cb 1.20 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1bbn h ILE 14 CO 0.12 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.61 1bbn h ILE 15 N 0.00 1.76 -0.33 -0.67 2.04 -0.29 -2.25 117.51 117.77 1bbn h ILE 15 Ca 0.00 -2.30 0.01 0.00 1.00 0.00 0.00 64.86 63.57 1bbn h ILE 15 Cb 0.29 3.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.68 1bbn h ILE 15 CO 0.00 0.60 0.22 0.11 0.00 0.00 0.00 178.15 179.09 1bbn h LYS 16 N -0.92 0.40 -0.28 2.37 1.57 -1.27 -0.39 116.57 118.05 1bbn h LYS 16 Ca -0.01 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1bbn h LYS 16 Cb 1.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1bbn h LYS 16 CO 0.01 0.26 -0.46 1.15 -0.57 0.00 0.00 179.45 179.85 1bbn h THR 17 N 0.41 1.29 -0.02 -0.16 2.02 -1.46 -1.62 112.91 113.39 1bbn h THR 17 Ca 0.13 -1.65 -0.04 0.00 0.77 0.00 0.00 66.41 65.61 1bbn h THR 17 Cb 0.01 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1bbn h THR 17 CO -0.03 0.53 -0.19 0.25 0.37 0.00 0.00 175.52 176.45 1bbn h LEU 18 N 0.58 0.03 0.00 2.58 7.12 -0.47 -1.51 115.31 123.63 1bbn h LEU 18 Ca 0.03 -0.01 -0.13 0.00 0.13 0.00 0.00 57.88 57.91 1bbn h LEU 18 Cb 1.02 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 1bbn h LEU 18 CO 0.10 0.22 -0.69 -1.13 -0.13 0.00 0.00 178.44 176.81 1bbn h ASN 19 N 0.03 0.00 -0.62 1.25 -1.24 -0.95 -3.26 115.58 110.79 1bbn h ASN 19 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 1bbn h ASN 19 Cb 0.36 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1bbn h ASN 19 CO 0.03 0.61 0.15 0.28 -1.29 0.00 0.00 177.43 177.21 1bbn h SER 20 N 0.00 0.94 0.75 1.15 0.02 -0.30 -1.61 113.55 114.50 1bbn h SER 20 Ca -0.02 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1bbn h SER 20 Cb 1.48 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1bbn h SER 20 CO 0.08 0.93 0.00 -0.07 -1.14 0.00 0.00 176.83 176.63 1bbn h LEU 21 N 0.91 0.00 0.00 5.07 3.38 -1.54 -2.46 115.31 120.66 1bbn h LEU 21 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1bbn h LEU 21 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bbn h LEU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1bbn n THR 22 N -2.43 0.08 0.13 0.22 -1.04 -0.61 -3.82 114.28 106.81 1bbn n THR 22 Ca 0.02 0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 61.94 1bbn n THR 22 Cb 0.24 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 68.09 1bbn n THR 22 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1bbn h GLU 23 N 0.00 -0.39 -2.81 -2.82 4.81 -1.51 -3.35 114.58 108.52 1bbn h GLU 23 Ca 0.00 0.03 -0.77 0.00 -0.13 0.00 0.00 59.36 58.48 1bbn h GLU 23 Cb 0.13 0.09 -0.30 0.00 0.63 0.00 0.00 28.75 29.29 1bbn h GLU 23 CO 0.00 -0.07 0.54 0.94 -0.73 0.00 0.00 179.01 179.69 1bbn n GLN 24 N -5.06 4.13 -2.55 1.92 7.27 -1.25 -4.81 117.38 117.03 1bbn n GLN 24 Ca -0.08 -4.58 -0.29 0.00 0.07 0.00 0.00 57.00 52.12 1bbn n GLN 24 Cb 0.25 -2.47 -0.01 0.00 2.41 0.00 0.00 30.24 30.43 1bbn n GLN 24 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1bbn n LYS 25 N 1.26 3.41 0.00 3.69 2.85 -1.26 -4.44 118.16 123.68 1bbn n LYS 25 Ca 0.27 -4.51 0.00 0.00 -1.05 0.00 0.00 58.31 53.02 1bbn n LYS 25 Cb 0.35 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 1bbn n LYS 25 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1bbn n THR 26 N -0.40 0.00 -0.02 0.58 -1.04 -1.26 -4.59 114.28 107.55 1bbn n THR 26 Ca 0.39 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.31 1bbn n THR 26 Cb 0.52 -0.46 -0.14 0.00 -1.82 0.00 0.00 70.33 68.43 1bbn n THR 26 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bbn n LEU 27 N -2.25 0.86 0.07 -4.42 7.94 -1.26 -3.98 117.00 113.96 1bbn n LEU 27 Ca 0.00 0.40 0.12 0.00 -1.11 0.00 0.00 56.01 55.42 1bbn n LEU 27 Cb 0.08 0.17 0.04 0.00 0.53 0.00 0.00 43.42 44.24 1bbn n LEU 27 CO 0.00 0.39 0.05 0.00 -1.11 0.00 0.00 177.39 176.73 1bbn n THR 29 N -2.32 0.52 -1.45 0.00 -2.24 -1.26 -4.16 114.28 103.37 1bbn n THR 29 Ca 0.01 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 1bbn n THR 29 Cb 0.49 0.20 0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1bbn n THR 29 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1bbn n GLU 30 N 0.51 2.46 -3.59 -0.78 0.28 -1.25 -3.30 120.64 114.97 1bbn n GLU 30 Ca 0.12 -2.78 -0.29 0.00 -0.16 0.00 0.00 57.16 54.04 1bbn n GLU 30 Cb 0.32 -2.12 -0.14 0.00 1.43 0.00 0.00 31.44 30.94 1bbn n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bbn s LEU 31 N -3.09 1.54 0.09 -1.84 1.43 -1.26 -5.03 118.68 110.52 1bbn s LEU 31 Ca 0.53 -1.97 -0.36 0.00 -1.03 0.00 0.00 54.13 51.31 1bbn s LEU 31 Cb 0.41 -0.63 -0.18 0.00 0.03 0.00 0.00 46.19 45.82 1bbn s LEU 31 CO -0.18 -0.35 1.04 0.35 0.23 0.00 0.00 176.35 177.44 1bbn n THR 32 N 4.37 0.58 -1.01 5.49 -2.24 -1.26 -4.04 114.28 116.18 1bbn n THR 32 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1bbn n THR 32 Cb 0.39 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1bbn n THR 32 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1bbn n VAL 33 N 1.38 0.00 -4.71 2.28 0.24 -0.29 -4.87 118.33 112.36 1bbn n VAL 33 Ca 0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.15 1bbn n VAL 33 Cb 0.17 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.42 1bbn n VAL 33 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1bbn s THR 34 N 2.70 3.50 -0.47 3.34 -1.32 -1.26 -2.02 115.64 120.10 1bbn s THR 34 Ca 0.00 -0.56 -0.23 0.00 -1.21 0.00 0.00 61.69 59.70 1bbn s THR 34 Cb 0.00 -2.42 0.03 0.00 -1.51 0.00 0.00 72.50 68.61 1bbn s THR 34 CO 0.00 0.59 0.78 -0.62 -2.21 0.00 0.00 174.62 173.16 1bbn s ASP 35 N -0.72 6.37 -0.16 8.08 2.15 -1.21 -4.83 116.67 126.35 1bbn s ASP 35 Ca 0.11 -0.27 0.15 0.00 0.43 0.00 0.00 52.55 52.97 1bbn s ASP 35 Cb -0.11 -2.38 0.70 0.00 -0.30 0.00 0.00 42.92 40.84 1bbn s ASP 35 CO 0.01 -0.96 1.59 2.30 -0.17 0.00 0.00 175.17 177.95 1bbn n ILE 36 N 6.06 2.08 -1.51 4.11 -5.35 -1.26 -4.16 119.36 119.33 1bbn n ILE 36 Ca 0.01 -1.17 0.07 0.00 -0.27 0.00 0.00 62.75 61.39 1bbn n ILE 36 Cb 0.48 -0.11 0.20 0.00 -1.74 0.00 0.00 39.64 38.47 1bbn n ILE 36 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1bbn n PHE 37 N 0.80 0.00 -0.07 4.28 3.72 -1.26 -4.66 117.46 120.28 1bbn n PHE 37 Ca 0.24 -1.40 -0.09 0.00 -0.05 0.00 0.00 57.45 56.16 1bbn n PHE 37 Cb 0.97 -0.23 -0.15 0.00 -0.94 0.00 0.00 39.48 39.12 1bbn n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bbn n ALA 38 N -1.17 1.54 -3.46 4.37 0.00 -1.26 -4.73 120.51 115.80 1bbn n ALA 38 Ca 0.18 -1.09 -0.28 0.00 0.00 0.00 0.00 53.44 52.25 1bbn n ALA 38 Cb 0.68 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 1bbn n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bbn s ALA 39 N -2.56 1.46 -0.33 0.00 0.00 -1.26 -5.08 121.76 113.98 1bbn s ALA 39 Ca -0.08 -2.38 -0.08 0.00 0.00 0.00 0.00 51.96 49.42 1bbn s ALA 39 Cb 0.07 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1bbn s ALA 39 CO 0.83 -2.02 0.13 0.45 0.00 0.00 0.00 175.76 175.15 1bbn s SER 40 N 0.26 5.40 0.00 0.00 0.15 -1.26 -4.93 113.70 113.31 1bbn s SER 40 Ca 0.28 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1bbn s SER 40 Cb -0.05 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1bbn s SER 40 CO -0.13 -0.29 0.00 0.29 1.20 0.00 0.00 173.24 174.31 1bbn n LYS 41 N 4.90 0.00 -0.82 5.44 5.02 -1.26 -4.86 118.16 126.58 1bbn n LYS 41 Ca -0.13 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.18 1bbn n LYS 41 Cb 0.46 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.79 1bbn n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1bbn n ASP 42 N -2.38 4.63 -4.73 4.39 8.00 -1.26 -4.95 116.55 120.24 1bbn n ASP 42 Ca 0.00 -3.14 -0.38 0.00 0.71 0.00 0.00 54.79 51.98 1bbn n ASP 42 Cb 0.00 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 1bbn n ASP 42 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bbn s THR 43 N -2.92 5.11 0.00 -3.53 -4.23 -1.26 -5.07 115.64 103.74 1bbn s THR 43 Ca 0.51 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 1bbn s THR 43 Cb 0.41 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1bbn s THR 43 CO 0.12 0.34 0.00 0.35 -0.54 0.00 0.00 174.62 174.89 1bbn n THR 44 N 3.45 0.00 -0.05 3.99 -2.24 -1.26 -4.91 114.28 113.26 1bbn n THR 44 Ca -0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1bbn n THR 44 Cb 0.51 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 1bbn n THR 44 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1bbn h GLU 45 N 0.00 0.47 -0.68 -0.78 4.11 -1.98 -2.32 114.58 113.39 1bbn h GLU 45 Ca 0.00 -0.30 0.01 0.00 0.07 0.00 0.00 59.36 59.14 1bbn h GLU 45 Cb 0.00 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1bbn h GLU 45 CO 0.00 0.91 0.45 1.57 0.07 0.00 0.00 179.01 182.00 1bbn h LYS 46 N 0.09 0.88 -0.52 1.06 2.10 -1.95 -1.23 116.57 117.00 1bbn h LYS 46 Ca 0.00 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.52 1bbn h LYS 46 Cb 0.89 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1bbn h LYS 46 CO 0.07 0.58 -0.01 0.93 -2.00 0.00 0.00 179.45 179.02 1bbn h GLU 47 N 0.91 0.88 0.00 0.07 5.08 -1.93 -2.18 114.58 117.40 1bbn h GLU 47 Ca 0.25 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bbn h GLU 47 Cb -0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1bbn h GLU 47 CO -0.06 0.88 0.00 1.15 -1.00 0.00 0.00 179.01 179.98 1bbn h THR 48 N 0.82 0.00 0.08 1.13 2.02 -0.81 -2.73 112.91 113.42 1bbn h THR 48 Ca 0.15 -0.47 -0.31 0.00 0.77 0.00 0.00 66.41 66.55 1bbn h THR 48 Cb 0.50 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1bbn h THR 48 CO 0.02 0.00 -1.68 -0.26 0.37 0.00 0.00 175.52 173.97 1bbn h PHE 49 N 0.00 0.31 -0.23 3.16 0.04 -0.64 -2.65 116.94 116.93 1bbn h PHE 49 Ca 0.00 -0.23 -0.17 0.00 2.80 0.00 0.00 57.97 60.37 1bbn h PHE 49 Cb 0.52 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1bbn h PHE 49 CO 0.00 1.36 -0.53 0.00 -0.60 0.00 0.00 178.31 178.54 1bbn h ARG 51 N 0.52 -0.30 0.00 0.00 3.08 -1.61 -2.20 114.38 113.87 1bbn h ARG 51 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1bbn h ARG 51 Cb 1.10 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1bbn h ARG 51 CO 0.11 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1bbn h ALA 52 N -0.13 1.00 0.08 0.04 0.00 -1.48 -1.52 119.26 117.26 1bbn h ALA 52 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1bbn h ALA 52 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bbn h ALA 52 CO 0.05 0.00 -1.15 0.00 0.00 0.00 0.00 179.25 178.15 1bbn h ALA 53 N 2.12 0.19 -0.22 0.00 0.00 -0.18 -1.62 119.26 119.56 1bbn h ALA 53 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 54.91 53.93 1bbn h ALA 53 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bbn h ALA 53 CO 0.00 1.07 -0.19 1.15 0.00 0.00 0.00 179.25 181.28 1bbn h THR 54 N 0.05 1.32 -0.30 0.00 2.02 -0.67 -0.65 112.91 114.68 1bbn h THR 54 Ca -0.09 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 1bbn h THR 54 Cb 1.89 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.98 1bbn h THR 54 CO 0.18 0.41 -0.11 0.58 0.37 0.00 0.00 175.52 176.95 1bbn h VAL 55 N 0.21 1.23 0.00 3.16 2.07 -1.55 -1.26 116.25 120.11 1bbn h VAL 55 Ca 0.04 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1bbn h VAL 55 Cb 0.73 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1bbn h VAL 55 CO 0.05 0.33 -0.32 -0.07 0.02 0.00 0.00 177.57 177.58 1bbn h LEU 56 N 0.47 0.00 -0.17 2.57 4.07 -1.03 -2.38 115.31 118.83 1bbn h LEU 56 Ca 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1bbn h LEU 56 Cb 0.47 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1bbn h LEU 56 CO 0.03 0.32 -0.08 -0.09 -1.08 0.00 0.00 178.44 177.53 1bbn h ARG 57 N 0.00 0.36 0.00 1.13 2.43 0.09 -2.34 114.38 116.04 1bbn h ARG 57 Ca -0.00 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1bbn h ARG 57 Cb 0.69 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1bbn h ARG 57 CO 0.04 0.67 -0.19 1.96 -1.51 0.00 0.00 179.97 180.94 1bbn h GLN 58 N 0.05 0.00 -0.22 0.20 4.20 -1.27 -0.74 115.11 117.33 1bbn h GLN 58 Ca 0.04 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 1bbn h GLN 58 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1bbn h GLN 58 CO 0.02 0.19 -0.53 0.35 -0.67 0.00 0.00 178.83 178.20 1bbn h PHE 59 N 0.00 0.95 -0.00 2.96 3.04 -1.13 -2.50 116.94 120.26 1bbn h PHE 59 Ca -0.00 -0.36 0.00 0.00 3.98 0.00 0.00 57.97 61.59 1bbn h PHE 59 Cb 0.43 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1bbn h PHE 59 CO 0.00 1.16 -0.40 2.48 -2.02 0.00 0.00 178.31 179.54 1bbn n TYR 60 N -4.10 0.00 -0.09 0.41 4.11 -0.91 -3.09 117.16 113.48 1bbn n TYR 60 Ca -0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.61 1bbn n TYR 60 Cb 0.61 -0.28 -0.12 0.00 -0.00 0.00 0.00 39.34 39.56 1bbn n TYR 60 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1bbn n SER 61 N -1.43 1.92 -0.07 9.48 2.88 -0.31 -4.01 113.62 122.08 1bbn n SER 61 Ca 0.06 0.35 -0.06 0.00 -1.33 0.00 0.00 58.87 57.89 1bbn n SER 61 Cb 0.33 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 1bbn n SER 61 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1bbn n HIS 62 N -4.20 0.91 0.33 0.66 8.25 -0.95 -4.26 115.22 115.96 1bbn n HIS 62 Ca -0.37 0.40 0.22 0.00 -0.26 0.00 0.00 57.72 57.71 1bbn n HIS 62 Cb 0.79 -0.80 1.11 0.00 1.12 0.00 0.00 29.99 32.21 1bbn n HIS 62 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bbn h HIS 63 N -1.00 0.00 -0.49 4.41 3.86 -1.66 -2.36 115.15 117.91 1bbn h HIS 63 Ca -0.04 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1bbn h HIS 63 Cb 0.60 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1bbn h HIS 63 CO -0.20 0.00 0.34 1.49 0.86 0.00 0.00 177.93 180.42 1bbn h GLU 64 N 0.00 0.12 -1.52 2.45 4.81 -1.68 -2.79 114.58 115.96 1bbn h GLU 64 Ca 0.00 -0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.71 1bbn h GLU 64 Cb 0.10 -0.03 -0.41 0.00 0.63 0.00 0.00 28.75 29.04 1bbn h GLU 64 CO 0.00 0.08 -0.91 1.17 -0.73 0.00 0.00 179.01 178.62 1bbn n LYS 65 N -4.43 2.45 -4.96 1.92 4.81 -0.89 -5.02 118.16 112.04 1bbn n LYS 65 Ca 0.08 -4.06 -0.32 0.00 -0.87 0.00 0.00 58.31 53.14 1bbn n LYS 65 Cb 0.48 -1.88 -0.15 0.00 0.02 0.00 0.00 35.03 33.49 1bbn n LYS 65 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bbn s ASP 66 N -3.29 3.69 0.58 3.14 1.11 -1.06 -4.98 116.67 115.87 1bbn s ASP 66 Ca 0.41 -0.38 0.28 0.00 0.18 0.00 0.00 52.55 53.04 1bbn s ASP 66 Cb 0.40 -1.32 1.65 0.00 1.07 0.00 0.00 42.92 44.72 1bbn s ASP 66 CO -0.10 0.21 2.12 0.74 1.18 0.00 0.00 175.17 179.32 1bbn h THR 67 N 5.22 0.53 0.16 -1.27 2.02 -1.95 -2.53 112.91 115.09 1bbn h THR 67 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1bbn h THR 67 Cb 1.20 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1bbn h THR 67 CO 0.52 0.00 -0.33 0.03 0.37 0.00 0.00 175.52 176.10 1bbn h ARG 68 N 0.00 -0.52 0.00 6.66 3.08 -1.93 -2.37 114.38 119.30 1bbn h ARG 68 Ca 0.08 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1bbn h ARG 68 Cb 0.41 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1bbn h ARG 68 CO -0.00 -0.35 -0.36 0.00 -1.07 0.00 0.00 179.97 178.19 1bbn n LEU 70 N -3.69 0.00 0.00 0.00 4.77 -0.95 -4.93 117.00 112.20 1bbn n LEU 70 Ca -0.01 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1bbn n LEU 70 Cb 0.46 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bbn n LEU 70 CO 0.37 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1bbn n GLY 71 N -0.96 0.36 1.73 -0.72 0.00 -0.93 -4.66 105.19 100.00 1bbn n GLY 71 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 1bbn n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbn n ALA 72 N -0.10 3.34 -2.12 4.61 0.00 -1.26 -4.98 120.51 120.01 1bbn n ALA 72 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 53.44 52.44 1bbn n ALA 72 Cb 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1bbn n ALA 72 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bbn s THR 73 N -0.06 0.22 0.13 0.00 -4.23 -1.26 -5.04 115.64 105.40 1bbn s THR 73 Ca 0.06 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1bbn s THR 73 Cb 0.20 -1.48 -0.17 0.00 1.34 0.00 0.00 72.50 72.39 1bbn s THR 73 CO -0.06 -0.98 1.33 0.00 -0.54 0.00 0.00 174.62 174.37 1bbn h ALA 74 N 3.19 0.45 -0.04 3.99 0.00 -2.00 -3.21 119.26 121.64 1bbn h ALA 74 Ca -0.34 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 53.73 1bbn h ALA 74 Cb 1.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1bbn h ALA 74 CO 0.65 1.15 0.01 1.96 0.00 0.00 0.00 179.25 183.02 1bbn h GLN 75 N 0.00 0.06 0.00 0.00 4.20 -1.99 -2.17 115.11 115.21 1bbn h GLN 75 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1bbn h GLN 75 Cb 1.66 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1bbn h GLN 75 CO 0.12 0.26 0.00 1.96 -0.67 0.00 0.00 178.83 180.50 1bbn h GLN 76 N -0.16 0.00 -0.01 1.46 4.20 -1.88 -2.20 115.11 116.52 1bbn h GLN 76 Ca 0.01 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.55 1bbn h GLN 76 Cb 0.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1bbn h GLN 76 CO -0.00 0.00 -0.65 0.35 -0.67 0.00 0.00 178.83 177.86 1bbn h PHE 77 N 0.00 0.67 -0.29 2.96 3.04 -1.40 -2.07 116.94 119.86 1bbn h PHE 77 Ca 0.00 -0.36 -0.15 0.00 3.98 0.00 0.00 57.97 61.45 1bbn h PHE 77 Cb 0.12 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1bbn h PHE 77 CO 0.00 1.18 -0.41 1.25 -2.02 0.00 0.00 178.31 178.31 1bbn h HIS 78 N -0.02 0.84 -0.51 0.41 2.76 -1.27 -2.68 115.15 114.67 1bbn h HIS 78 Ca -0.08 -0.25 -0.12 0.00 -2.20 0.00 0.00 60.37 57.72 1bbn h HIS 78 Cb 1.35 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1bbn h HIS 78 CO 0.14 0.99 -0.15 0.00 -1.30 0.00 0.00 177.93 177.61 1bbn h ARG 79 N 0.57 1.00 -0.80 5.26 3.08 -1.50 -2.94 114.38 119.05 1bbn h ARG 79 Ca 0.05 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1bbn h ARG 79 Cb 0.95 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1bbn h ARG 79 CO 0.09 1.07 0.36 1.25 -1.07 0.00 0.00 179.97 181.67 1bbn h HIS 80 N 0.88 1.17 -0.53 3.04 2.76 -1.26 -2.13 115.15 119.07 1bbn h HIS 80 Ca 0.13 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1bbn h HIS 80 Cb 0.72 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1bbn h HIS 80 CO 0.05 0.86 0.35 -0.22 -1.30 0.00 0.00 177.93 177.67 1bbn h LYS 81 N 1.15 0.70 -0.02 5.26 3.64 -1.30 -1.20 116.57 124.80 1bbn h LYS 81 Ca 0.27 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1bbn h LYS 81 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1bbn h LYS 81 CO -0.03 0.47 -0.48 1.96 -2.27 0.00 0.00 179.45 179.10 1bbn h GLN 82 N 0.73 0.06 -0.28 1.90 4.20 -1.30 -2.85 115.11 117.57 1bbn h GLN 82 Ca 0.20 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1bbn h GLN 82 Cb -0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1bbn h GLN 82 CO -0.04 0.52 -0.31 1.25 -0.67 0.00 0.00 178.83 179.58 1bbn h LEU 83 N 0.05 0.75 -1.22 1.46 5.85 -0.97 -2.58 115.31 118.65 1bbn h LEU 83 Ca -0.00 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 1bbn h LEU 83 Cb 0.86 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1bbn h LEU 83 CO 0.06 1.09 0.05 0.40 -0.34 0.00 0.00 178.44 179.70 1bbn h ILE 84 N 0.43 1.20 0.28 4.05 1.08 -1.35 -2.37 117.51 120.83 1bbn h ILE 84 Ca 0.04 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1bbn h ILE 84 Cb 0.89 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1bbn h ILE 84 CO 0.08 0.26 -0.13 0.03 -0.69 0.00 0.00 178.15 177.69 1bbn h ARG 85 N 0.57 -0.36 -0.87 2.37 3.08 -1.41 -2.44 114.38 115.31 1bbn h ARG 85 Ca 0.13 0.02 0.25 0.00 0.07 0.00 0.00 59.98 60.45 1bbn h ARG 85 Cb 0.29 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1bbn h ARG 85 CO 0.00 -0.02 0.62 0.74 -1.07 0.00 0.00 179.97 180.24 1bbn h PHE 86 N -0.80 0.06 0.13 3.04 0.04 -1.38 -1.17 116.94 116.86 1bbn h PHE 86 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1bbn h PHE 86 Cb 0.51 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1bbn h PHE 86 CO 0.04 0.01 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.63 1bbn h LEU 87 N 0.04 -0.15 -0.98 1.54 3.38 -1.20 -2.79 115.31 115.16 1bbn h LEU 87 Ca 0.42 -0.36 0.19 0.00 0.09 0.00 0.00 57.88 58.22 1bbn h LEU 87 Cb 1.60 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 42.28 1bbn h LEU 87 CO -0.03 0.32 0.58 0.11 0.09 0.00 0.00 178.44 179.51 1bbn h LYS 88 N -0.65 0.70 -0.58 1.13 1.57 -0.74 0.61 116.57 118.60 1bbn h LYS 88 Ca -0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1bbn h LYS 88 Cb 0.50 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1bbn h LYS 88 CO 0.03 0.46 0.13 -0.09 -0.57 0.00 0.00 179.45 179.41 1bbn h ARG 89 N 0.72 0.94 0.00 3.15 2.43 -1.46 -2.51 114.38 117.64 1bbn h ARG 89 Ca 0.57 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1bbn h ARG 89 Cb 0.90 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1bbn h ARG 89 CO -0.39 0.88 0.00 -0.11 -1.51 0.00 0.00 179.97 178.83 1bbn n LEU 90 N -4.36 0.19 0.05 3.80 7.94 0.01 -2.13 117.00 122.50 1bbn n LEU 90 Ca 0.03 0.52 -0.09 0.00 -1.11 0.00 0.00 56.01 55.36 1bbn n LEU 90 Cb 0.25 -0.47 -0.13 0.00 0.53 0.00 0.00 43.42 43.60 1bbn n LEU 90 CO 0.41 -0.09 -0.06 -0.78 -1.11 0.00 0.00 177.39 175.75 1bbn h ASP 91 N 0.00 0.07 0.36 1.96 1.82 -0.56 -2.38 116.42 117.68 1bbn h ASP 91 Ca 0.00 -0.08 -0.32 0.00 -0.39 0.00 0.00 57.03 56.24 1bbn h ASP 91 Cb 0.51 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.45 1bbn h ASP 91 CO 0.00 1.07 -1.85 -1.14 -1.61 0.00 0.00 179.24 175.71 1bbn n ARG 92 N -3.30 0.66 -0.02 0.28 3.00 -1.13 -4.20 116.66 111.94 1bbn n ARG 92 Ca -0.06 0.26 -0.20 0.00 -0.00 0.00 0.00 57.85 57.85 1bbn n ARG 92 Cb 0.98 -1.74 -0.13 0.00 0.00 0.00 0.00 32.46 31.56 1bbn n ARG 92 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1bbn h ASN 93 N 0.01 0.26 -0.01 6.15 4.21 -1.55 -1.53 115.58 123.13 1bbn h ASN 93 Ca -0.35 -0.83 0.03 0.00 1.21 0.00 0.00 56.30 56.37 1bbn h ASN 93 Cb 2.04 -0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 39.10 1bbn h ASN 93 CO 0.07 1.48 -0.43 0.25 -1.29 0.00 0.00 177.43 177.51 1bbn h LEU 94 N -0.54 -1.31 0.00 1.61 5.85 -1.64 -2.77 115.31 116.50 1bbn h LEU 94 Ca -0.25 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1bbn h LEU 94 Cb 1.55 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1bbn h LEU 94 CO 0.01 -0.46 -1.03 4.11 -0.34 0.00 0.00 178.44 180.72 1bbn h TRP 95 N -0.58 0.00 -0.78 1.25 5.08 -1.74 -3.33 115.95 115.85 1bbn h TRP 95 Ca 0.04 0.00 0.20 0.00 1.08 0.00 0.00 58.89 60.21 1bbn h TRP 95 Cb 0.66 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.78 1bbn h TRP 95 CO -0.44 0.20 0.54 0.78 -1.28 0.00 0.00 178.44 178.24 1bbn h GLY 96 N 3.89 0.39 1.42 11.11 0.00 -1.03 0.29 103.07 119.15 1bbn h GLY 96 Ca -0.05 -0.09 -0.26 0.00 0.00 0.00 0.00 47.33 46.93 1bbn h GLY 96 CO 0.02 0.01 -1.07 -2.00 0.00 0.00 0.00 176.54 173.50 1bbn h LEU 97 N 0.20 0.68 -0.82 3.11 5.85 -1.60 -3.22 115.31 119.51 1bbn h LEU 97 Ca 0.38 -0.58 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1bbn h LEU 97 Cb 1.21 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 1bbn h LEU 97 CO -0.08 1.39 0.42 0.00 -0.34 0.00 0.00 178.44 179.83 1bbn h ALA 98 N 0.55 1.20 -3.84 1.25 0.00 -0.56 -3.46 119.26 114.40 1bbn h ALA 98 Ca -0.12 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1bbn h ALA 98 Cb 1.72 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 19.57 1bbn h ALA 98 CO 0.19 -0.07 -0.39 0.41 0.00 0.00 0.00 179.25 179.40 1bbn n GLY 99 N -1.32 0.04 3.54 0.00 0.00 -0.91 -4.98 105.19 101.55 1bbn n GLY 99 Ca 0.15 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1bbn n GLY 99 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bbn n LEU 100 N -2.59 0.00 0.00 0.99 7.94 -1.26 -5.11 117.00 116.97 1bbn n LEU 100 Ca -0.14 -3.07 0.00 0.00 -1.11 0.00 0.00 56.01 51.68 1bbn n LEU 100 Cb 0.58 0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.86 1bbn n LEU 100 CO 0.31 -0.45 0.00 0.59 -1.11 0.00 0.00 177.39 176.73 1bbn n ASN 101 N -1.33 0.00 -4.84 1.96 4.13 -1.26 -5.07 115.26 108.85 1bbn n ASN 101 Ca -0.19 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.71 1bbn n ASN 101 Cb 0.62 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.81 1bbn n ASN 101 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1bbn s SER 102 N 0.24 6.81 -0.43 6.41 0.01 -1.26 -5.03 113.70 120.45 1bbn s SER 102 Ca 0.00 1.02 0.06 0.00 1.31 0.00 0.00 55.95 58.34 1bbn s SER 102 Cb 0.00 -2.27 0.20 0.00 0.21 0.00 0.00 66.02 64.17 1bbn s SER 102 CO 0.00 0.16 0.50 0.00 0.41 0.00 0.00 173.24 174.31 1bbn n PRO 104 N 2.29 0.33 -2.41 0.00 -0.02 -1.26 -4.84 135.00 129.09 1bbn n PRO 104 Ca 0.23 -1.05 -0.42 0.00 -2.02 0.00 0.00 63.50 60.24 1bbn n PRO 104 Cb 0.52 -3.47 -0.03 0.00 -0.02 0.00 0.00 33.50 30.51 1bbn n PRO 104 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bbn s VAL 105 N 14.03 4.14 0.00 -1.45 0.11 -1.26 -4.72 120.40 131.25 1bbn s VAL 105 Ca 0.88 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 61.40 1bbn s VAL 105 Cb -0.15 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1bbn s VAL 105 CO 0.15 -0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.21 1bbn n LYS 106 N 5.22 0.00 -2.34 1.54 5.02 -1.26 -5.02 118.16 121.32 1bbn n LYS 106 Ca 0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 1bbn n LYS 106 Cb 0.46 -0.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.40 1bbn n LYS 106 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1bbn s GLU 107 N -1.00 3.20 -0.29 1.97 -1.05 -1.26 -4.81 118.70 115.45 1bbn s GLU 107 Ca 0.00 -1.10 -0.25 0.00 -0.15 0.00 0.00 54.97 53.47 1bbn s GLU 107 Cb 0.00 -5.30 0.18 0.00 -0.44 0.00 0.00 34.13 28.57 1bbn s GLU 107 CO 0.00 -2.86 1.37 0.00 0.95 0.00 0.00 175.26 174.71 1bbn s ALA 108 N 7.29 -2.18 0.51 -0.84 0.00 -1.26 -4.77 121.76 120.51 1bbn s ALA 108 Ca 0.58 1.72 -0.00 0.00 0.00 0.00 0.00 51.96 54.26 1bbn s ALA 108 Cb -0.01 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1bbn s ALA 108 CO 0.01 -0.13 0.22 -0.25 0.00 0.00 0.00 175.76 175.61 1bbn n ASP 109 N 1.69 0.26 -4.54 0.00 8.00 -1.26 -4.72 116.55 115.97 1bbn n ASP 109 Ca -0.11 -1.23 -0.41 0.00 0.71 0.00 0.00 54.79 53.75 1bbn n ASP 109 Cb 0.57 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1bbn n ASP 109 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1bbn s GLN 110 N -3.02 3.35 0.73 -1.24 2.00 -1.26 -3.31 119.66 116.90 1bbn s GLN 110 Ca 0.14 -0.71 0.00 0.00 -2.00 0.00 0.00 55.36 52.79 1bbn s GLN 110 Cb -0.01 -4.66 0.13 0.00 0.80 0.00 0.00 33.01 29.28 1bbn s GLN 110 CO 0.09 -2.12 1.00 0.45 -0.50 0.00 0.00 175.29 174.22 1bbn s SER 111 N 4.18 4.31 -0.12 6.67 0.15 -0.86 -4.84 113.70 123.20 1bbn s SER 111 Ca 0.38 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.50 1bbn s SER 111 Cb -0.06 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1bbn s SER 111 CO 0.04 -1.90 0.13 0.42 1.20 0.00 0.00 173.24 173.13 1bbn s THR 112 N -3.14 5.38 -0.23 6.45 -4.23 -1.26 -1.14 115.64 117.47 1bbn s THR 112 Ca 0.67 0.16 0.22 0.00 -1.18 0.00 0.00 61.69 61.56 1bbn s THR 112 Cb -0.05 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.68 1bbn s THR 112 CO 0.44 0.61 1.68 -0.11 -0.54 0.00 0.00 174.62 176.70 1bbn n LEU 113 N 2.07 0.59 0.08 4.79 7.94 -1.22 -2.24 117.00 129.01 1bbn n LEU 113 Ca -0.20 0.75 -0.13 0.00 -1.11 0.00 0.00 56.01 55.32 1bbn n LEU 113 Cb 0.55 -0.80 -0.08 0.00 0.53 0.00 0.00 43.42 43.62 1bbn n LEU 113 CO 0.31 -0.90 0.71 -0.33 -1.11 0.00 0.00 177.39 176.07 1bbn h GLU 114 N 0.00 -0.16 0.00 1.96 5.08 -1.90 -2.16 114.58 117.40 1bbn h GLU 114 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1bbn h GLU 114 Cb 0.06 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1bbn h GLU 114 CO 0.00 0.08 -0.04 -0.97 -1.00 0.00 0.00 179.01 177.08 1bbn h ASN 115 N -0.39 0.00 0.35 1.42 -0.73 -1.82 -2.76 115.58 111.66 1bbn h ASN 115 Ca -0.02 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.14 1bbn h ASN 115 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1bbn h ASN 115 CO 0.03 0.04 -0.17 0.15 -0.37 0.00 0.00 177.43 177.11 1bbn h PHE 116 N 0.00 -0.44 -0.39 0.67 3.57 -1.24 -2.37 116.94 116.74 1bbn h PHE 116 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1bbn h PHE 116 Cb 0.79 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1bbn h PHE 116 CO 0.00 -0.12 0.26 -0.07 -2.23 0.00 0.00 178.31 176.14 1bbn h LEU 117 N -0.98 0.43 -0.06 0.59 3.38 -1.46 -1.58 115.31 115.63 1bbn h LEU 117 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1bbn h LEU 117 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1bbn h LEU 117 CO 0.08 0.31 -0.03 -0.08 0.09 0.00 0.00 178.44 178.81 1bbn h GLU 118 N 0.51 -0.03 0.00 1.13 4.81 -1.44 -0.73 114.58 118.83 1bbn h GLU 118 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1bbn h GLU 118 Cb -0.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1bbn h GLU 118 CO -0.03 -0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.23 1bbn h ARG 119 N -0.03 0.00 -0.06 1.92 2.47 -0.83 -2.54 114.38 115.32 1bbn h ARG 119 Ca 0.03 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.51 1bbn h ARG 119 Cb 0.08 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1bbn h ARG 119 CO -0.08 0.00 -0.93 -0.07 0.56 0.00 0.00 179.97 179.45 1bbn h LEU 120 N 0.00 0.88 -0.17 3.04 3.38 -0.21 -2.21 115.31 120.01 1bbn h LEU 120 Ca 0.00 -0.65 -0.23 0.00 0.09 0.00 0.00 57.88 57.09 1bbn h LEU 120 Cb 0.39 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1bbn h LEU 120 CO 0.00 1.45 -0.83 0.50 0.09 0.00 0.00 178.44 179.65 1bbn h LYS 121 N 0.43 0.71 -0.33 1.13 3.64 -1.13 -2.46 116.57 118.56 1bbn h LYS 121 Ca -0.10 -0.61 -0.03 0.00 -1.27 0.00 0.00 60.65 58.64 1bbn h LYS 121 Cb 1.57 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 1bbn h LYS 121 CO 0.18 1.22 0.08 1.79 -2.27 0.00 0.00 179.45 180.45 1bbn h THR 122 N 0.47 1.22 -0.42 1.00 1.35 -1.51 -2.46 112.91 112.56 1bbn h THR 122 Ca -0.06 -0.75 -0.09 0.00 -0.55 0.00 0.00 66.41 64.96 1bbn h THR 122 Cb 1.45 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1bbn h THR 122 CO 0.16 0.25 -0.09 0.40 -0.25 0.00 0.00 175.52 176.00 1bbn h ILE 123 N 0.38 1.27 0.17 6.82 1.08 -1.44 -2.05 117.51 123.74 1bbn h ILE 123 Ca 0.10 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1bbn h ILE 123 Cb 0.30 1.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1bbn h ILE 123 CO 0.00 0.40 -0.08 0.24 -0.69 0.00 0.00 178.15 178.02 1bbn h MET 124 N 0.62 -0.21 0.60 2.37 2.86 -1.39 -2.40 114.93 117.37 1bbn h MET 124 Ca 0.11 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1bbn h MET 124 Cb 0.61 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.33 1bbn h MET 124 CO 0.04 -0.06 -0.29 -0.09 1.06 0.00 0.00 176.91 177.57 1bbn h ARG 125 N -0.32 -0.77 -0.79 1.72 2.43 -1.48 -1.42 114.38 113.75 1bbn h ARG 125 Ca -0.02 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.38 1bbn h ARG 125 Cb 0.25 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 29.86 1bbn h ARG 125 CO 0.04 -0.51 0.24 1.49 -1.51 0.00 0.00 179.97 179.71 1bbn h GLU 126 N -1.04 0.30 0.00 0.20 4.81 -1.47 -0.75 114.58 116.64 1bbn h GLU 126 Ca -0.08 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1bbn h GLU 126 Cb 0.61 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1bbn h GLU 126 CO 0.13 0.20 -0.54 -0.22 -0.73 0.00 0.00 179.01 177.86 1bbn h LYS 127 N 0.31 0.00 -0.00 1.92 3.64 -1.49 -3.29 116.57 117.66 1bbn h LYS 127 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1bbn h LYS 127 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1bbn h LYS 127 CO -0.52 0.25 -0.37 0.66 -2.27 0.00 0.00 179.45 177.20 1bbn n TYR 128 N -3.07 0.00 0.37 1.91 4.01 -0.53 -3.55 117.16 116.30 1bbn n TYR 128 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 1bbn n TYR 128 Cb 0.66 -0.17 0.51 0.00 -0.31 0.00 0.00 39.34 40.03 1bbn n TYR 128 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bbn n SER 129 N -0.99 0.68 0.00 7.72 2.88 -0.39 -2.40 113.62 121.12 1bbn n SER 129 Ca 0.09 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1bbn n SER 129 Cb 0.34 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1bbn n SER 129 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1bbn n LYS 130 N -2.26 2.11 0.21 -1.46 4.81 -1.23 -4.76 118.16 115.56 1bbn n LYS 130 Ca 0.02 -1.27 -0.16 0.00 -0.87 0.00 0.00 58.31 56.02 1bbn n LYS 130 Cb 0.21 -0.99 -0.08 0.00 0.02 0.00 0.00 35.03 34.19 1bbn n LYS 130 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bbn s SER 132 N -4.56 6.38 0.00 0.00 1.04 -1.26 -5.05 113.70 110.24 1bbn s SER 132 Ca -0.17 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1bbn s SER 132 Cb 0.06 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1bbn s SER 132 CO 0.62 -0.22 0.32 -1.20 0.98 0.00 0.00 173.24 173.75