#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb1 h ARG 9 N 0.00 0.26 0.00 5.55 2.43 -1.94 -3.44 114.38 117.23 3bb1 h ARG 9 Ca 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3bb1 h ARG 9 Cb 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3bb1 h ARG 9 CO 0.00 1.12 0.00 0.41 -1.51 0.00 0.00 179.97 179.99 3bb1 n GLY 10 N 1.85 -0.72 2.25 2.80 0.00 -1.26 -4.64 105.19 105.47 3bb1 n GLY 10 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 3bb1 n GLY 10 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3bb1 n TRP 11 N 0.00 0.85 0.24 1.61 -0.00 0.34 -4.61 117.44 115.87 3bb1 n TRP 11 Ca 0.00 -1.76 0.16 0.00 -0.00 0.00 0.00 57.50 55.90 3bb1 n TRP 11 Cb 0.00 -1.51 0.85 0.00 -0.00 0.00 0.00 31.31 30.64 3bb1 n TRP 11 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3bb1 h SER 12 N 3.06 0.00 -0.11 5.87 4.64 -1.88 -1.99 113.55 123.13 3bb1 h SER 12 Ca 0.31 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.66 3bb1 h SER 12 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3bb1 h SER 12 CO 0.59 0.00 0.09 1.23 -0.87 0.00 0.00 176.83 177.86 3bb1 h GLY 13 N 0.00 0.00 0.46 -0.77 0.00 -1.79 -0.83 103.07 100.14 3bb1 h GLY 13 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.55 3bb1 h GLY 13 CO -0.00 0.00 0.57 -2.22 0.00 0.00 0.00 176.54 174.89 3bb1 h ILE 14 N 0.00 0.77 0.00 2.60 2.04 -1.60 -2.23 117.51 119.10 3bb1 h ILE 14 Ca 0.05 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3bb1 h ILE 14 Cb 0.23 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3bb1 h ILE 14 CO -0.00 0.10 -0.12 0.78 0.00 0.00 0.00 178.15 178.91 3bb1 h ASN 15 N 0.57 0.00 0.21 1.72 2.35 -1.34 -0.65 115.58 118.45 3bb1 h ASN 15 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 3bb1 h ASN 15 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3bb1 h ASN 15 CO -0.19 0.12 0.00 0.35 -1.65 0.00 0.00 177.43 176.05 3bb1 n THR 16 N -3.38 0.00 -3.17 2.81 -2.24 -0.84 -4.88 114.28 102.59 3bb1 n THR 16 Ca -0.01 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 3bb1 n THR 16 Cb 0.30 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 3bb1 n THR 16 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3bb1 s PHE 17 N -2.22 3.49 0.31 4.78 0.08 -0.25 -5.02 117.98 119.15 3bb1 s PHE 17 Ca 0.41 0.69 -0.29 0.00 0.12 0.00 0.00 56.93 57.86 3bb1 s PHE 17 Cb 0.21 -2.16 -0.13 0.00 -0.57 0.00 0.00 43.02 40.38 3bb1 s PHE 17 CO 0.40 0.06 1.23 0.00 -0.10 0.00 0.00 175.22 176.81 3bb1 n ALA 18 N -1.31 0.83 -0.35 5.36 0.00 -1.26 -4.72 120.51 119.05 3bb1 n ALA 18 Ca -0.01 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.89 3bb1 n ALA 18 Cb 0.54 -2.19 0.26 0.00 0.00 0.00 0.00 19.45 18.06 3bb1 n ALA 18 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3bb1 h PRO 19 N 2.65 0.93 -0.83 0.00 0.13 -1.92 -1.29 132.00 131.66 3bb1 h PRO 19 Ca -0.44 -0.06 0.19 0.00 -0.87 0.00 0.00 66.00 64.82 3bb1 h PRO 19 Cb 1.30 -0.21 -0.12 0.00 0.13 0.00 0.00 31.00 32.10 3bb1 h PRO 19 CO 0.64 0.61 0.31 0.00 -0.23 0.00 0.00 178.00 179.34 3bb1 h ALA 20 N 1.55 1.23 0.00 -0.56 0.00 -1.88 0.27 119.26 119.88 3bb1 h ALA 20 Ca 0.50 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.46 3bb1 h ALA 20 Cb 0.53 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3bb1 h ALA 20 CO -0.27 -0.31 -0.48 1.15 0.00 0.00 0.00 179.25 179.35 3bb1 h THR 21 N 0.37 1.28 -0.41 0.00 2.02 -1.60 -2.87 112.91 111.71 3bb1 h THR 21 Ca 0.49 -1.66 -0.12 0.00 0.77 0.00 0.00 66.41 65.89 3bb1 h THR 21 Cb 0.88 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3bb1 h THR 21 CO -0.51 0.47 -0.20 1.56 0.37 0.00 0.00 175.52 177.22 3bb1 h GLN 22 N 0.00 0.86 -0.08 6.66 4.20 0.30 -2.87 115.11 124.19 3bb1 h GLN 22 Ca -0.00 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 3bb1 h GLN 22 Cb 0.87 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3bb1 h GLN 22 CO 0.06 1.01 0.02 1.15 -0.67 0.00 0.00 178.83 180.40 3bb1 h THR 23 N 0.67 1.19 -0.99 -0.54 2.02 -1.37 -0.72 112.91 113.17 3bb1 h THR 23 Ca 0.09 -0.59 0.14 0.00 0.77 0.00 0.00 66.41 66.82 3bb1 h THR 23 Cb 0.76 1.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.52 3bb1 h THR 23 CO 0.06 0.17 0.62 0.11 0.37 0.00 0.00 175.52 176.85 3bb1 h LYS 24 N -0.09 0.89 0.00 6.66 1.57 -1.47 0.38 116.57 124.52 3bb1 h LYS 24 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3bb1 h LYS 24 Cb 0.25 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3bb1 h LYS 24 CO 0.00 0.59 -0.32 1.25 -0.57 0.00 0.00 179.45 180.40 3bb1 h LEU 25 N 0.92 0.00 0.01 2.94 6.46 -1.27 -1.57 115.31 122.80 3bb1 h LEU 25 Ca 0.51 -0.01 -0.30 0.00 -0.12 0.00 0.00 57.88 57.96 3bb1 h LEU 25 Cb 0.59 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 3bb1 h LEU 25 CO -0.28 0.00 -1.74 0.18 -0.62 0.00 0.00 178.44 175.99 3bb1 n LEU 26 N -2.88 1.05 0.04 2.25 4.77 0.50 -1.98 117.00 120.75 3bb1 n LEU 26 Ca 0.03 0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 56.30 3bb1 n LEU 26 Cb 0.53 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 3bb1 n LEU 26 CO 0.36 0.43 0.82 -0.08 -1.33 0.00 0.00 177.39 177.59 3bb1 h GLU 27 N 0.01 -0.11 -0.19 3.23 4.57 -0.31 -1.99 114.58 119.79 3bb1 h GLU 27 Ca -0.30 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3bb1 h GLU 27 Cb 2.02 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.62 3bb1 h GLU 27 CO 0.08 -0.08 0.11 -0.07 -1.18 0.00 0.00 179.01 177.88 3bb1 h LEU 28 N -0.12 0.18 -0.90 1.64 3.38 -1.31 -0.24 115.31 117.94 3bb1 h LEU 28 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3bb1 h LEU 28 Cb 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3bb1 h LEU 28 CO -0.09 0.14 0.58 -0.07 0.09 0.00 0.00 178.44 179.09 3bb1 h LEU 29 N 0.23 0.98 -0.28 1.67 3.38 -1.40 0.21 115.31 120.10 3bb1 h LEU 29 Ca 0.07 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3bb1 h LEU 29 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3bb1 h LEU 29 CO -0.03 0.67 0.13 1.23 0.09 0.00 0.00 178.44 180.53 3bb1 h GLY 30 N 1.14 0.36 0.94 0.83 0.00 -0.75 0.88 103.07 106.47 3bb1 h GLY 30 Ca 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.61 3bb1 h GLY 30 CO -0.11 0.06 0.23 -0.57 0.00 0.00 0.00 176.54 176.15 3bb1 h ASN 31 N 0.27 0.38 -0.62 0.19 -0.00 0.19 0.52 115.58 116.52 3bb1 h ASN 31 Ca 0.12 -0.00 0.05 0.00 -0.00 0.00 0.00 56.30 56.46 3bb1 h ASN 31 Cb 0.05 -0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 38.24 3bb1 h ASN 31 CO -0.09 0.28 0.35 -0.07 -0.00 0.00 0.00 177.43 177.89 3bb1 h LEU 32 N 0.47 0.53 -1.01 0.34 3.38 -0.17 -2.33 115.31 116.53 3bb1 h LEU 32 Ca 0.15 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3bb1 h LEU 32 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3bb1 h LEU 32 CO -0.06 0.35 -0.24 0.11 0.09 0.00 0.00 178.44 178.69 3bb1 h LYS 33 N 0.66 0.43 0.00 1.13 1.79 0.19 -0.83 116.57 119.94 3bb1 h LYS 33 Ca 0.27 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 3bb1 h LYS 33 Cb 0.13 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3bb1 h LYS 33 CO -0.16 0.64 -0.16 -0.56 -1.08 0.00 0.00 179.45 178.13 3bb1 h GLN 34 N 0.38 0.00 -0.97 3.15 -0.00 0.03 -3.01 115.11 114.70 3bb1 h GLN 34 Ca 0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.37 3bb1 h GLN 34 Cb 0.63 0.00 -0.20 0.00 -0.00 0.00 0.00 27.48 27.91 3bb1 h GLN 34 CO 0.05 0.16 0.43 0.39 -0.00 0.00 0.00 178.83 179.86 3bb1 n GLU 35 N -3.30 2.07 -3.51 0.06 -0.58 -0.41 -4.91 120.64 110.05 3bb1 n GLU 35 Ca 0.00 -2.18 -0.26 0.00 -0.42 0.00 0.00 57.16 54.31 3bb1 n GLU 35 Cb 0.41 -1.87 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 3bb1 n GLU 35 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3bb1 n ASP 36 N -0.59 -5.31 -4.00 1.62 8.00 -1.04 -4.96 116.55 110.27 3bb1 n ASP 36 Ca 0.41 -0.53 -0.31 0.00 0.71 0.00 0.00 54.79 55.08 3bb1 n ASP 36 Cb 1.31 -4.26 -0.15 0.00 -0.02 0.00 0.00 41.12 38.00 3bb1 n ASP 36 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bb1 s VAL 37 N -3.20 2.17 -0.34 2.53 1.01 -0.65 -4.97 120.40 116.94 3bb1 s VAL 37 Ca 0.51 -2.26 0.23 0.00 0.00 0.00 0.00 61.98 60.45 3bb1 s VAL 37 Cb -0.24 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3bb1 s VAL 37 CO 0.63 -0.60 1.12 0.78 0.00 0.00 0.00 175.10 177.03 3bb1 h ASN 38 N 7.65 0.00 -5.16 3.32 2.35 -1.90 -3.25 115.58 118.60 3bb1 h ASN 38 Ca -0.05 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 3bb1 h ASN 38 Cb 1.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 3bb1 h ASN 38 CO 0.52 0.03 0.13 -0.94 -1.65 0.00 0.00 177.43 175.51 3bb1 s SER 39 N -5.08 0.24 -0.28 5.81 1.04 -1.26 -1.56 113.70 112.62 3bb1 s SER 39 Ca 0.01 -1.20 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 3bb1 s SER 39 Cb 0.10 0.78 0.10 0.00 0.10 0.00 0.00 66.02 67.11 3bb1 s SER 39 CO 0.77 -1.54 0.89 -0.76 0.98 0.00 0.00 173.24 173.58 3bb1 s LEU 40 N -3.11 -0.60 -0.23 2.42 1.02 -0.77 -4.93 118.68 112.48 3bb1 s LEU 40 Ca 0.20 1.13 0.02 0.00 0.02 0.00 0.00 54.13 55.49 3bb1 s LEU 40 Cb -0.04 2.13 0.05 0.00 0.02 0.00 0.00 46.19 48.35 3bb1 s LEU 40 CO 0.14 -0.19 -0.11 -0.89 0.02 0.00 0.00 176.35 175.31 3bb1 s THR 41 N 0.44 1.91 -0.18 5.49 2.01 -1.25 -0.76 115.64 123.30 3bb1 s THR 41 Ca 0.00 -1.31 -0.07 0.00 0.31 0.00 0.00 61.69 60.63 3bb1 s THR 41 Cb -0.05 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3bb1 s THR 41 CO -0.05 0.09 0.05 -0.63 -0.69 0.00 0.00 174.62 173.39 3bb1 s ILE 42 N 1.25 4.68 -0.23 1.82 1.01 -0.01 -0.89 121.20 128.83 3bb1 s ILE 42 Ca -0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3bb1 s ILE 42 Cb -0.18 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 3bb1 s ILE 42 CO -0.07 0.47 0.02 -0.22 0.00 0.00 0.00 174.94 175.14 3bb1 s LEU 43 N 0.33 3.22 -0.22 2.97 2.96 -0.42 -0.99 118.68 126.54 3bb1 s LEU 43 Ca 0.02 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 3bb1 s LEU 43 Cb -0.13 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 3bb1 s LEU 43 CO 0.00 -0.02 0.15 -0.69 -1.32 0.00 0.00 176.35 174.47 3bb1 s VAL 44 N 1.52 5.38 0.13 1.68 1.01 -0.61 -0.32 120.40 129.19 3bb1 s VAL 44 Ca 0.06 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3bb1 s VAL 44 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3bb1 s VAL 44 CO 0.01 0.40 0.18 -0.04 0.00 0.00 0.00 175.10 175.65 3bb1 s MET 45 N 0.67 0.99 0.00 2.72 -1.94 -0.70 -3.64 119.30 117.40 3bb1 s MET 45 Ca 0.08 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.87 3bb1 s MET 45 Cb -0.12 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.04 3bb1 s MET 45 CO 0.01 -0.32 0.00 0.41 -0.01 0.00 0.00 175.02 175.11 3bb1 n GLY 46 N -0.12 -1.20 3.52 -0.03 0.00 -1.26 -0.80 105.19 105.29 3bb1 n GLY 46 Ca -0.09 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 3bb1 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bb1 s LYS 47 N -1.82 -1.12 0.31 1.61 1.02 -1.26 -2.07 119.74 116.40 3bb1 s LYS 47 Ca 0.00 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.12 3bb1 s LYS 47 Cb 0.00 -1.57 -0.10 0.00 -0.52 0.00 0.00 37.83 35.65 3bb1 s LYS 47 CO 0.00 -3.75 0.95 0.20 -0.92 0.00 0.00 175.35 171.83 3bb1 s GLY 48 N -3.18 2.87 -0.40 -3.33 0.00 -1.26 -4.03 107.32 97.99 3bb1 s GLY 48 Ca 0.68 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.96 3bb1 s GLY 48 CO 0.60 1.03 0.00 0.61 0.00 0.00 0.00 173.10 175.34 3bb1 n GLY 49 N 0.77 0.67 0.00 0.20 0.00 -1.26 -4.89 105.19 100.68 3bb1 n GLY 49 Ca 0.01 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3bb1 n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bb1 n VAL 50 N -2.79 0.00 -0.13 1.61 0.24 -1.26 -4.95 118.33 111.05 3bb1 n VAL 50 Ca -0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3bb1 n VAL 50 Cb 0.18 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3bb1 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bb1 n GLY 51 N 1.50 1.84 0.46 7.63 0.00 -1.26 -4.39 105.19 110.97 3bb1 n GLY 51 Ca 0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3bb1 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb1 h LYS 52 N 0.00 -1.06 -0.41 1.61 1.57 -1.92 -2.63 116.57 113.73 3bb1 h LYS 52 Ca 0.00 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3bb1 h LYS 52 Cb 0.07 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3bb1 h LYS 52 CO 0.00 -0.71 0.23 0.77 -0.57 0.00 0.00 179.45 179.17 3bb1 h SER 53 N -1.10 0.48 0.04 0.86 0.02 -1.90 -1.96 113.55 109.99 3bb1 h SER 53 Ca -0.10 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 3bb1 h SER 53 Cb 0.87 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3bb1 h SER 53 CO 0.12 0.39 -0.37 0.28 -1.14 0.00 0.00 176.83 176.11 3bb1 h SER 54 N 0.56 0.46 -0.08 3.07 0.02 -1.87 -0.72 113.55 114.99 3bb1 h SER 54 Ca 0.15 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3bb1 h SER 54 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3bb1 h SER 54 CO -0.03 0.79 -0.39 0.74 -1.14 0.00 0.00 176.83 176.80 3bb1 h THR 55 N 0.37 1.30 -0.36 -2.27 2.02 -0.98 0.55 112.91 113.54 3bb1 h THR 55 Ca 0.04 -1.56 -0.08 0.00 0.77 0.00 0.00 66.41 65.58 3bb1 h THR 55 Cb 0.82 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3bb1 h THR 55 CO 0.07 0.49 -0.09 0.58 0.37 0.00 0.00 175.52 176.94 3bb1 h VAL 56 N 0.50 1.28 -0.62 3.16 2.07 -1.01 -0.41 116.25 121.21 3bb1 h VAL 56 Ca 0.04 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3bb1 h VAL 56 Cb 0.90 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3bb1 h VAL 56 CO 0.08 0.38 0.41 0.78 0.02 0.00 0.00 177.57 179.24 3bb1 h ASN 57 N 0.49 0.67 -0.14 0.57 2.35 -0.86 -1.94 115.58 116.72 3bb1 h ASN 57 Ca 0.09 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3bb1 h ASN 57 Cb 0.60 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3bb1 h ASN 57 CO 0.04 0.47 -0.20 0.28 -1.65 0.00 0.00 177.43 176.37 3bb1 h SER 58 N 0.78 0.41 0.36 5.81 0.02 -0.39 -1.20 113.55 119.34 3bb1 h SER 58 Ca 0.24 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3bb1 h SER 58 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3bb1 h SER 58 CO -0.06 0.85 -0.17 0.40 -1.14 0.00 0.00 176.83 176.71 3bb1 h ILE 59 N -0.01 0.66 0.00 3.27 2.04 -0.89 -1.60 117.51 120.99 3bb1 h ILE 59 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3bb1 h ILE 59 Cb 0.76 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3bb1 h ILE 59 CO 0.05 0.05 0.00 -0.38 0.00 0.00 0.00 178.15 177.86 3bb1 n ILE 60 N -5.24 1.11 -2.52 -0.67 2.08 -0.75 -4.85 119.36 108.52 3bb1 n ILE 60 Ca -0.10 0.28 -0.15 0.00 0.56 0.00 0.00 62.75 63.34 3bb1 n ILE 60 Cb 0.24 -1.08 -0.00 0.00 -0.75 0.00 0.00 39.64 38.04 3bb1 n ILE 60 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bb1 n GLY 61 N -0.33 -0.50 3.23 7.39 0.00 -0.50 -4.06 105.19 110.41 3bb1 n GLY 61 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3bb1 n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bb1 s GLU 62 N -5.12 1.19 -1.27 1.61 2.02 -0.95 -4.51 118.70 111.67 3bb1 s GLU 62 Ca 0.04 -1.62 -0.08 0.00 0.02 0.00 0.00 54.97 53.33 3bb1 s GLU 62 Cb -0.02 0.05 0.17 0.00 0.10 0.00 0.00 34.13 34.43 3bb1 s GLU 62 CO 0.05 -0.31 2.01 0.54 0.02 0.00 0.00 175.26 177.57 3bb1 n ARG 63 N -0.29 4.03 0.14 1.61 1.74 -1.26 -4.47 116.66 118.17 3bb1 n ARG 63 Ca -0.01 -3.60 0.03 0.00 -0.77 0.00 0.00 57.85 53.49 3bb1 n ARG 63 Cb 0.65 -2.79 0.06 0.00 -1.02 0.00 0.00 32.46 29.36 3bb1 n ARG 63 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3bb1 h VAL 64 N 3.32 0.90 -3.53 1.55 -1.51 -1.93 -3.46 116.25 111.58 3bb1 h VAL 64 Ca 0.48 -2.18 -0.52 0.00 -1.23 0.00 0.00 66.70 63.25 3bb1 h VAL 64 Cb 0.52 2.38 -0.19 0.00 -2.13 0.00 0.00 31.29 31.87 3bb1 h VAL 64 CO 1.55 0.50 -0.79 0.68 -1.23 0.00 0.00 177.57 178.28 3bb1 s VAL 65 N -3.03 1.72 0.45 7.19 -7.23 -1.26 -5.11 120.40 113.14 3bb1 s VAL 65 Ca 0.03 -1.77 -0.22 0.00 -1.81 0.00 0.00 61.98 58.22 3bb1 s VAL 65 Cb 0.08 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 3bb1 s VAL 65 CO 0.74 -0.25 1.06 -0.44 -0.31 0.00 0.00 175.10 175.90 3bb1 s SER 66 N -2.39 6.45 -0.18 4.85 0.01 -1.26 -4.95 113.70 116.23 3bb1 s SER 66 Ca 0.12 2.01 -0.00 0.00 1.31 0.00 0.00 55.95 59.39 3bb1 s SER 66 Cb -0.07 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.63 3bb1 s SER 66 CO 0.05 -0.71 -0.05 0.27 0.41 0.00 0.00 173.24 173.21 3bb1 s ILE 67 N -1.81 1.17 -0.20 1.44 -4.36 -1.26 -4.82 121.20 111.35 3bb1 s ILE 67 Ca 0.64 -0.71 -0.06 0.00 -0.26 0.00 0.00 60.65 60.25 3bb1 s ILE 67 Cb -0.20 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 3bb1 s ILE 67 CO 0.24 0.10 0.03 -0.55 0.24 0.00 0.00 174.94 175.01 3bb1 s SER 68 N 1.60 5.15 0.00 4.36 0.15 -1.26 -5.00 113.70 118.69 3bb1 s SER 68 Ca -0.00 -0.11 0.24 0.00 0.70 0.00 0.00 55.95 56.77 3bb1 s SER 68 Cb -0.16 -1.89 0.74 0.00 -1.71 0.00 0.00 66.02 63.01 3bb1 s SER 68 CO -0.08 0.08 1.56 -0.81 1.20 0.00 0.00 173.24 175.19 3bb1 n PRO 69 N 4.17 1.88 0.00 5.44 -0.04 -1.26 -4.42 135.00 140.77 3bb1 n PRO 69 Ca -0.17 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 3bb1 n PRO 69 Cb 0.52 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3bb1 n PRO 69 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bb1 n PHE 70 N 0.54 0.00 0.00 0.54 3.72 -1.26 -5.13 117.46 115.87 3bb1 n PHE 70 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 3bb1 n PHE 70 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3bb1 n PHE 70 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3bb1 n GLN 71 N -1.76 0.00 0.00 -1.08 6.02 -1.26 -5.17 117.38 114.13 3bb1 n GLN 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bb1 n GLN 71 Cb 0.20 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.46 3bb1 n GLN 71 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3bb1 n SER 72 N 0.00 0.00 -0.03 1.08 7.64 -1.26 -4.84 113.62 116.21 3bb1 n SER 72 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 3bb1 n SER 72 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 3bb1 n SER 72 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3bb1 h GLU 73 N 0.00 0.12 0.06 1.43 5.08 -1.97 -3.43 114.58 115.87 3bb1 h GLU 73 Ca 0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3bb1 h GLU 73 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3bb1 h GLU 73 CO 0.00 0.72 -0.03 0.78 -1.00 0.00 0.00 179.01 179.48 3bb1 h GLY 74 N -0.46 -0.08 -7.42 -3.84 0.00 -2.00 -3.49 103.07 85.78 3bb1 h GLY 74 Ca -0.00 0.03 -0.77 0.00 0.00 0.00 0.00 47.33 46.58 3bb1 h GLY 74 CO 0.02 -0.03 1.02 -1.55 0.00 0.00 0.00 176.54 176.00 3bb1 n PRO 75 N -4.77 3.60 0.00 4.80 -0.05 -1.26 -4.88 135.00 132.44 3bb1 n PRO 75 Ca -0.07 -4.14 0.02 0.00 -0.05 0.00 0.00 63.50 59.26 3bb1 n PRO 75 Cb 0.30 -2.77 -0.01 0.00 -0.05 0.00 0.00 33.50 30.96 3bb1 n PRO 75 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34 3bb1 n ARG 76 N 3.77 4.24 -1.65 0.54 1.85 -1.26 -4.98 116.66 119.16 3bb1 n ARG 76 Ca 0.31 -0.18 -0.45 0.00 -1.00 0.00 0.00 57.85 56.52 3bb1 n ARG 76 Cb 0.39 -0.78 -0.03 0.00 -1.05 0.00 0.00 32.46 30.99 3bb1 n ARG 76 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3bb1 n PRO 77 N -0.77 1.84 -4.42 2.89 -0.02 -1.26 -4.96 135.00 128.30 3bb1 n PRO 77 Ca 0.01 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.88 3bb1 n PRO 77 Cb 0.07 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 3bb1 n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bb1 s VAL 78 N -0.30 1.28 -0.02 -1.45 1.01 -0.69 -4.98 120.40 115.24 3bb1 s VAL 78 Ca 0.66 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 3bb1 s VAL 78 Cb -0.68 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3bb1 s VAL 78 CO 0.53 0.40 0.41 -0.32 0.00 0.00 0.00 175.10 176.11 3bb1 s MET 79 N 0.97 3.97 -0.17 2.72 1.75 -1.26 -0.43 119.30 126.86 3bb1 s MET 79 Ca -0.08 0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.76 3bb1 s MET 79 Cb -0.15 -3.25 0.03 0.00 2.84 0.00 0.00 34.83 34.30 3bb1 s MET 79 CO -0.00 0.62 -0.13 0.08 -0.65 0.00 0.00 175.02 174.93 3bb1 s VAL 80 N -0.83 1.61 -0.13 10.11 1.01 0.30 -4.95 120.40 127.52 3bb1 s VAL 80 Ca 0.23 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3bb1 s VAL 80 Cb -0.16 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3bb1 s VAL 80 CO 0.12 0.36 -0.10 -0.44 0.00 0.00 0.00 175.10 175.05 3bb1 s SER 81 N 1.45 4.29 0.06 3.32 0.01 -1.26 -0.54 113.70 121.02 3bb1 s SER 81 Ca 0.03 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.08 3bb1 s SER 81 Cb -0.14 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 3bb1 s SER 81 CO -0.10 0.19 -0.10 -0.13 0.41 0.00 0.00 173.24 173.52 3bb1 s ARG 82 N 0.20 0.64 0.08 12.44 1.81 -0.15 -4.26 118.95 129.71 3bb1 s ARG 82 Ca -0.06 -0.86 0.08 0.00 -1.72 0.00 0.00 55.73 53.17 3bb1 s ARG 82 Cb -0.15 -0.46 -0.03 0.00 -0.45 0.00 0.00 34.95 33.86 3bb1 s ARG 82 CO 0.04 0.09 -0.21 -1.54 -0.68 0.00 0.00 175.30 173.01 3bb1 s SER 83 N -1.72 2.49 -0.28 0.23 1.04 -1.26 0.09 113.70 114.29 3bb1 s SER 83 Ca -0.06 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 55.53 3bb1 s SER 83 Cb -0.09 -0.16 0.09 0.00 0.10 0.00 0.00 66.02 65.96 3bb1 s SER 83 CO 0.01 0.09 0.81 -0.60 0.98 0.00 0.00 173.24 174.53 3bb1 s ARG 84 N -1.66 0.67 -1.49 4.02 6.06 -0.15 -0.50 118.95 125.91 3bb1 s ARG 84 Ca 0.07 0.93 -0.10 0.00 -2.50 0.00 0.00 55.73 54.13 3bb1 s ARG 84 Cb -0.10 0.26 0.07 0.00 0.06 0.00 0.00 34.95 35.24 3bb1 s ARG 84 CO 0.03 -0.10 0.88 0.00 -2.50 0.00 0.00 175.30 173.61 3bb1 n ALA 85 N 3.17 -1.49 -1.09 6.12 0.00 -1.26 -1.41 120.51 124.55 3bb1 n ALA 85 Ca -0.16 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 3bb1 n ALA 85 Cb 0.57 -3.69 -0.01 0.00 0.00 0.00 0.00 19.45 16.31 3bb1 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bb1 n GLY 86 N -1.67 0.59 3.26 0.00 0.00 -1.26 -4.94 105.19 101.18 3bb1 n GLY 86 Ca -0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3bb1 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bb1 s PHE 87 N -1.91 2.18 -0.21 1.61 5.36 -0.50 -4.87 117.98 119.64 3bb1 s PHE 87 Ca 0.00 -0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 55.46 3bb1 s PHE 87 Cb 0.00 -1.42 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3bb1 s PHE 87 CO 0.00 -0.09 -0.09 0.99 -1.46 0.00 0.00 175.22 174.57 3bb1 s THR 88 N -0.42 2.96 -0.03 0.12 2.01 -0.60 -0.98 115.64 118.70 3bb1 s THR 88 Ca 0.05 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 3bb1 s THR 88 Cb -0.10 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3bb1 s THR 88 CO 0.00 0.42 0.68 -0.22 -0.69 0.00 0.00 174.62 174.81 3bb1 s LEU 89 N 1.41 4.36 -0.16 4.42 2.96 0.11 -1.86 118.68 129.93 3bb1 s LEU 89 Ca 0.05 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 3bb1 s LEU 89 Cb -0.14 -3.06 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3bb1 s LEU 89 CO -0.06 -0.04 -0.14 0.20 -1.32 0.00 0.00 176.35 174.99 3bb1 s ASN 90 N 0.42 2.78 -0.08 3.68 0.01 0.06 -0.97 114.94 120.84 3bb1 s ASN 90 Ca 0.36 -0.54 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 3bb1 s ASN 90 Cb -0.18 -1.20 0.01 0.00 0.41 0.00 0.00 41.25 40.29 3bb1 s ASN 90 CO 0.19 -0.06 -0.15 -0.51 -1.51 0.00 0.00 177.10 175.06 3bb1 s ILE 91 N 1.47 1.37 -0.28 0.60 2.07 0.29 -0.83 121.20 125.89 3bb1 s ILE 91 Ca 0.04 -0.60 -0.05 0.00 -1.41 0.00 0.00 60.65 58.63 3bb1 s ILE 91 Cb -0.13 -1.25 0.02 0.00 0.13 0.00 0.00 42.46 41.23 3bb1 s ILE 91 CO -0.11 0.41 0.04 -0.63 -1.91 0.00 0.00 174.94 172.75 3bb1 s ILE 92 N 0.75 3.65 0.08 2.00 1.01 -0.16 -0.54 121.20 127.99 3bb1 s ILE 92 Ca -0.12 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 3bb1 s ILE 92 Cb -0.16 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 3bb1 s ILE 92 CO 0.03 0.10 0.73 -0.62 0.00 0.00 0.00 174.94 175.18 3bb1 s ASP 93 N 1.44 7.22 0.17 3.58 2.15 0.43 -1.57 116.67 130.09 3bb1 s ASP 93 Ca 0.02 1.45 0.07 0.00 0.43 0.00 0.00 52.55 54.52 3bb1 s ASP 93 Cb -0.17 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 3bb1 s ASP 93 CO 0.01 0.10 -0.14 0.42 -0.17 0.00 0.00 175.17 175.39 3bb1 s THR 94 N -0.47 1.53 0.63 1.71 -4.23 -1.24 -1.70 115.64 111.87 3bb1 s THR 94 Ca 0.36 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 3bb1 s THR 94 Cb -0.21 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 3bb1 s THR 94 CO 0.23 -0.54 1.09 -2.16 -0.54 0.00 0.00 174.62 172.71 3bb1 s PRO 95 N -3.27 3.01 0.73 3.99 0.04 -1.26 -4.89 135.00 133.35 3bb1 s PRO 95 Ca 0.17 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 3bb1 s PRO 95 Cb -0.02 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.58 3bb1 s PRO 95 CO 0.05 -1.08 1.25 0.20 0.04 0.00 0.00 177.00 177.45 3bb1 s GLY 96 N -2.59 2.49 0.19 0.56 0.00 -1.26 -4.77 107.32 101.94 3bb1 s GLY 96 Ca 0.66 1.02 0.23 0.00 0.00 0.00 0.00 44.72 46.64 3bb1 s GLY 96 CO 0.39 1.45 1.25 1.41 0.00 0.00 0.00 173.10 177.60 3bb1 h LEU 97 N -0.22 0.00 -6.55 0.66 3.38 -1.68 -3.46 115.31 107.44 3bb1 h LEU 97 Ca -0.48 -0.10 -0.59 0.00 0.09 0.00 0.00 57.88 56.79 3bb1 h LEU 97 Cb 1.32 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.68 3bb1 h LEU 97 CO 0.49 0.05 -0.88 -0.51 0.09 0.00 0.00 178.44 177.68 3bb1 s ILE 98 N -3.25 0.50 0.08 1.22 -1.16 -1.26 0.12 121.20 117.45 3bb1 s ILE 98 Ca 0.04 -2.35 -0.28 0.00 -0.51 0.00 0.00 60.65 57.55 3bb1 s ILE 98 Cb 0.11 -1.36 -0.06 0.00 0.61 0.00 0.00 42.46 41.76 3bb1 s ILE 98 CO 0.74 -1.09 0.87 -1.61 -2.81 0.00 0.00 174.94 171.04 3bb1 s GLU 99 N 0.41 4.60 5.38 3.50 0.41 -0.16 -4.70 118.70 128.15 3bb1 s GLU 99 Ca 0.25 1.27 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 3bb1 s GLU 99 Cb -0.10 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 3bb1 s GLU 99 CO -0.09 0.24 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 3bb1 n GLY 100 N 2.33 3.62 0.78 -1.39 0.00 -1.26 -1.10 105.19 108.16 3bb1 n GLY 100 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.28 3bb1 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bb1 n GLY 101 N 0.00 3.28 3.38 -0.02 0.00 -1.26 -5.01 105.19 105.57 3bb1 n GLY 101 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 3bb1 n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bb1 s TYR 102 N -1.78 1.79 0.19 1.61 2.02 -0.26 -4.96 117.35 115.96 3bb1 s TYR 102 Ca 0.32 -0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 3bb1 s TYR 102 Cb 0.22 -0.96 -0.08 0.00 -0.40 0.00 0.00 41.96 40.73 3bb1 s TYR 102 CO 0.13 0.24 1.20 0.42 -1.57 0.00 0.00 175.55 175.98 3bb1 s ILE 103 N -3.08 3.51 -1.08 2.71 1.09 -1.26 -0.98 121.20 122.11 3bb1 s ILE 103 Ca 0.27 1.29 -0.22 0.00 -1.10 0.00 0.00 60.65 60.88 3bb1 s ILE 103 Cb 0.03 -3.82 -0.01 0.00 -1.06 0.00 0.00 42.46 37.60 3bb1 s ILE 103 CO 0.09 0.21 1.78 0.21 -0.10 0.00 0.00 174.94 177.13 3bb1 s ASN 104 N 0.08 5.78 0.55 3.58 3.84 0.32 -4.72 114.94 124.37 3bb1 s ASN 104 Ca 0.53 -1.45 0.35 0.00 0.21 0.00 0.00 52.86 52.49 3bb1 s ASN 104 Cb -0.33 -2.57 1.89 0.00 -0.55 0.00 0.00 41.25 39.69 3bb1 s ASN 104 CO 0.37 -2.22 2.06 0.44 -2.79 0.00 0.00 177.10 174.97 3bb1 h ASP 105 N 9.82 0.00 -0.04 -4.21 5.19 -1.92 -1.72 116.42 123.54 3bb1 h ASP 105 Ca 0.22 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.53 3bb1 h ASP 105 Cb 0.96 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.48 3bb1 h ASP 105 CO 1.32 0.00 -0.37 -0.03 -3.12 0.00 0.00 179.24 177.03 3bb1 h MET 106 N 0.00 0.33 -0.02 3.56 4.05 -1.96 -1.70 114.93 119.19 3bb1 h MET 106 Ca 0.00 -0.30 0.02 0.00 -0.28 0.00 0.00 59.70 59.14 3bb1 h MET 106 Cb 0.11 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 3bb1 h MET 106 CO 0.00 0.96 -0.10 0.00 0.23 0.00 0.00 176.91 178.00 3bb1 h ALA 107 N 0.37 -0.10 -0.74 0.39 0.00 -1.69 -1.69 119.26 115.80 3bb1 h ALA 107 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3bb1 h ALA 107 Cb 1.06 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3bb1 h ALA 107 CO 0.08 -0.59 0.23 1.25 0.00 0.00 0.00 179.25 180.22 3bb1 h LEU 108 N -0.17 1.08 -0.27 0.00 5.85 -1.45 0.18 115.31 120.53 3bb1 h LEU 108 Ca 0.05 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3bb1 h LEU 108 Cb 0.23 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3bb1 h LEU 108 CO -0.12 1.00 0.02 0.78 -0.34 0.00 0.00 178.44 179.78 3bb1 h ASN 109 N 1.11 0.46 -0.92 1.25 -0.26 -1.17 -0.16 115.58 115.88 3bb1 h ASN 109 Ca 0.24 -0.29 0.13 0.00 -0.56 0.00 0.00 56.30 55.82 3bb1 h ASN 109 Cb 0.30 -0.12 -0.09 0.00 -1.06 0.00 0.00 38.32 37.35 3bb1 h ASN 109 CO -0.01 0.63 0.54 0.40 -1.06 0.00 0.00 177.43 177.93 3bb1 h ILE 110 N 0.27 0.85 -0.15 2.81 2.04 -1.00 0.43 117.51 122.76 3bb1 h ILE 110 Ca 0.08 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3bb1 h ILE 110 Cb 0.38 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3bb1 h ILE 110 CO 0.01 0.15 0.04 0.40 0.00 0.00 0.00 178.15 178.75 3bb1 h ILE 111 N 0.83 1.19 -0.15 -0.67 2.04 -0.23 -1.00 117.51 119.52 3bb1 h ILE 111 Ca 0.47 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3bb1 h ILE 111 Cb 0.54 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3bb1 h ILE 111 CO -0.30 0.18 0.10 0.11 0.00 0.00 0.00 178.15 178.24 3bb1 h LYS 112 N 0.05 0.19 -0.31 2.37 1.57 -0.56 -2.26 116.57 117.63 3bb1 h LYS 112 Ca 0.05 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3bb1 h LYS 112 Cb 0.24 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 3bb1 h LYS 112 CO -0.00 0.13 -0.27 0.77 -0.57 0.00 0.00 179.45 179.50 3bb1 h SER 113 N 0.20 -0.90 0.05 0.86 0.02 -0.02 -2.58 113.55 111.19 3bb1 h SER 113 Ca 0.05 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3bb1 h SER 113 Cb -0.02 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3bb1 h SER 113 CO -0.01 -0.30 -0.02 0.15 -1.14 0.00 0.00 176.83 175.51 3bb1 h PHE 114 N -0.25 0.00 -0.03 3.45 3.57 -0.86 -2.62 116.94 120.20 3bb1 h PHE 114 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3bb1 h PHE 114 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3bb1 h PHE 114 CO -0.45 0.02 0.00 1.28 -2.23 0.00 0.00 178.31 176.93 3bb1 n LEU 115 N -3.88 1.79 -4.68 0.59 4.77 -0.88 -4.93 117.00 109.77 3bb1 n LEU 115 Ca -0.03 -0.60 -0.44 0.00 -0.03 0.00 0.00 56.01 54.90 3bb1 n LEU 115 Cb 0.10 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3bb1 n LEU 115 CO 0.28 0.30 1.07 0.18 -1.33 0.00 0.00 177.39 177.90 3bb1 n LEU 116 N 0.40 3.30 -2.59 2.23 4.77 -0.99 -0.63 117.00 123.49 3bb1 n LEU 116 Ca 0.18 1.13 -0.11 0.00 -0.03 0.00 0.00 56.01 57.19 3bb1 n LEU 116 Cb 0.40 -1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.03 3bb1 n LEU 116 CO 0.16 -0.36 -0.10 0.47 -1.33 0.00 0.00 177.39 176.23 3bb1 n ASP 117 N 2.33 -3.11 -4.94 -1.43 8.00 0.44 -5.00 116.55 112.84 3bb1 n ASP 117 Ca 0.12 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.62 3bb1 n ASP 117 Cb 0.32 -2.67 -0.01 0.00 -0.02 0.00 0.00 41.12 38.74 3bb1 n ASP 117 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bb1 s LYS 118 N -5.16 2.76 -0.24 -1.24 1.02 0.20 -4.91 119.74 112.16 3bb1 s LYS 118 Ca 0.06 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.75 3bb1 s LYS 118 Cb -0.03 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 3bb1 s LYS 118 CO 0.07 -0.15 -0.11 0.99 -0.92 0.00 0.00 175.35 175.23 3bb1 s THR 119 N -2.36 2.00 -0.22 2.17 2.01 -1.26 -0.84 115.64 117.15 3bb1 s THR 119 Ca 0.50 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 3bb1 s THR 119 Cb -0.07 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.34 3bb1 s THR 119 CO 0.30 0.04 1.08 -0.63 -0.69 0.00 0.00 174.62 174.72 3bb1 s ILE 120 N 1.20 4.60 -0.09 1.82 1.01 0.29 -4.41 121.20 125.61 3bb1 s ILE 120 Ca -0.06 1.93 0.15 0.00 0.00 0.00 0.00 60.65 62.66 3bb1 s ILE 120 Cb -0.19 -4.25 -0.22 0.00 0.01 0.00 0.00 42.46 37.81 3bb1 s ILE 120 CO -0.06 -0.18 0.55 0.47 0.00 0.00 0.00 174.94 175.72 3bb1 n ASP 121 N 6.39 0.65 -3.75 3.58 8.00 -0.07 -1.23 116.55 130.12 3bb1 n ASP 121 Ca 0.12 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.80 3bb1 n ASP 121 Cb 0.46 0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 41.71 3bb1 n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bb1 s VAL 122 N -2.64 -0.00 -0.25 2.53 1.01 -1.10 -4.68 120.40 115.26 3bb1 s VAL 122 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3bb1 s VAL 122 Cb 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3bb1 s VAL 122 CO 0.83 0.00 -0.01 -0.22 0.00 0.00 0.00 175.10 175.70 3bb1 s LEU 123 N 0.25 3.30 -0.49 3.92 2.96 -0.35 -1.30 118.68 126.97 3bb1 s LEU 123 Ca -0.01 -0.65 -0.15 0.00 -0.22 0.00 0.00 54.13 53.10 3bb1 s LEU 123 Cb -0.03 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 44.99 3bb1 s LEU 123 CO -0.00 -0.11 0.42 -0.22 -1.32 0.00 0.00 176.35 175.12 3bb1 s LEU 124 N 1.43 5.77 -0.43 -0.68 2.96 0.56 0.04 118.68 128.34 3bb1 s LEU 124 Ca 0.03 -1.46 -0.16 0.00 -0.22 0.00 0.00 54.13 52.32 3bb1 s LEU 124 Cb -0.16 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.37 3bb1 s LEU 124 CO -0.02 -0.70 0.39 -0.47 -1.32 0.00 0.00 176.35 174.22 3bb1 s TYR 125 N 1.63 3.20 -0.18 5.38 5.04 -0.12 -1.72 117.35 130.58 3bb1 s TYR 125 Ca 0.04 -0.54 -0.10 0.00 -2.44 0.00 0.00 57.07 54.03 3bb1 s TYR 125 Cb -0.26 -2.83 -0.05 0.00 0.35 0.00 0.00 41.96 39.17 3bb1 s TYR 125 CO 0.06 -0.68 0.17 0.08 -1.34 0.00 0.00 175.55 173.83 3bb1 s VAL 126 N 1.92 5.40 0.00 3.14 1.01 0.02 -1.10 120.40 130.78 3bb1 s VAL 126 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3bb1 s VAL 126 Cb -0.19 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3bb1 s VAL 126 CO 0.11 0.46 0.00 -0.67 0.00 0.00 0.00 175.10 175.01 3bb1 n ASP 127 N 3.25 0.34 -4.51 3.32 -0.08 -0.92 -4.11 116.55 113.84 3bb1 n ASP 127 Ca -0.16 -0.86 -0.28 0.00 -1.51 0.00 0.00 54.79 51.97 3bb1 n ASP 127 Cb 0.52 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.88 3bb1 n ASP 127 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3bb1 s ARG 128 N -1.59 1.84 -0.14 -0.67 3.52 -1.26 -0.45 118.95 120.19 3bb1 s ARG 128 Ca 0.00 -1.24 -0.25 0.00 -0.13 0.00 0.00 55.73 54.11 3bb1 s ARG 128 Cb 0.00 -2.10 -0.22 0.00 -1.56 0.00 0.00 34.95 31.07 3bb1 s ARG 128 CO 0.00 0.46 0.63 1.25 -0.81 0.00 0.00 175.30 176.82 3bb1 h LEU 129 N 3.44 0.00 -5.85 -0.88 5.85 -1.54 -3.35 115.31 112.98 3bb1 h LEU 129 Ca -0.49 -0.83 -0.68 0.00 0.84 0.00 0.00 57.88 56.73 3bb1 h LEU 129 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3bb1 h LEU 129 CO 0.49 0.97 3.13 -0.90 -0.34 0.00 0.00 178.44 181.78 3bb1 n ASP 130 N -4.62 4.65 -4.27 1.25 5.75 -1.26 -4.80 116.55 113.25 3bb1 n ASP 130 Ca -0.10 -2.74 -0.30 0.00 -0.01 0.00 0.00 54.79 51.64 3bb1 n ASP 130 Cb 0.43 -1.53 -0.16 0.00 -1.03 0.00 0.00 41.12 38.83 3bb1 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bb1 s ALA 131 N 3.28 2.03 -1.68 2.12 0.00 -1.26 -5.06 121.76 121.20 3bb1 s ALA 131 Ca 0.53 -1.02 0.19 0.00 0.00 0.00 0.00 51.96 51.65 3bb1 s ALA 131 Cb 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3bb1 s ALA 131 CO -0.05 0.46 0.95 0.66 0.00 0.00 0.00 175.76 177.77 3bb1 n TYR 132 N 2.67 0.00 -4.11 0.00 4.01 -1.26 -4.99 117.16 113.48 3bb1 n TYR 132 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 3bb1 n TYR 132 Cb 0.52 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.45 3bb1 n TYR 132 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3bb1 s ARG 133 N -2.18 0.95 -0.29 -0.72 1.70 -1.26 -5.14 118.95 112.01 3bb1 s ARG 133 Ca 0.15 -1.38 -0.14 0.00 -0.47 0.00 0.00 55.73 53.90 3bb1 s ARG 133 Cb 0.15 0.27 0.11 0.00 -0.57 0.00 0.00 34.95 34.91 3bb1 s ARG 133 CO 0.49 -0.28 0.72 0.08 -1.08 0.00 0.00 175.30 175.23 3bb1 s VAL 134 N -4.03 -0.36 0.11 4.99 1.01 -1.26 -5.10 120.40 115.75 3bb1 s VAL 134 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3bb1 s VAL 134 Cb 0.07 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3bb1 s VAL 134 CO 0.01 0.00 0.16 -0.90 0.00 0.00 0.00 175.10 174.37 3bb1 n ASP 135 N 4.67 -0.46 0.06 3.32 5.75 -1.26 -5.04 116.55 123.60 3bb1 n ASP 135 Ca -0.17 -1.53 0.04 0.00 -0.01 0.00 0.00 54.79 53.12 3bb1 n ASP 135 Cb 0.55 0.83 0.22 0.00 -1.03 0.00 0.00 41.12 41.69 3bb1 n ASP 135 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bb1 n ASN 136 N -1.79 0.21 -0.09 -1.12 3.02 -1.26 -1.59 115.26 112.65 3bb1 n ASN 136 Ca -0.00 0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 55.02 3bb1 n ASN 136 Cb 0.17 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 3bb1 n ASN 136 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3bb1 h LEU 137 N 0.00 0.51 -1.08 3.41 7.12 -1.96 0.12 115.31 123.43 3bb1 h LEU 137 Ca 0.00 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.61 3bb1 h LEU 137 Cb 0.03 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 3bb1 h LEU 137 CO 0.00 0.77 0.41 0.44 -0.13 0.00 0.00 178.44 179.94 3bb1 h ASP 138 N 0.24 0.94 -0.56 1.25 3.32 -1.69 0.39 116.42 120.30 3bb1 h ASP 138 Ca 0.06 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3bb1 h ASP 138 Cb 0.56 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3bb1 h ASP 138 CO 0.03 0.76 0.36 0.11 -1.72 0.00 0.00 179.24 178.78 3bb1 h LYS 139 N 1.06 0.70 -0.88 3.56 1.57 -1.32 -1.69 116.57 119.58 3bb1 h LYS 139 Ca 0.27 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 3bb1 h LYS 139 Cb 0.03 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3bb1 h LYS 139 CO -0.04 0.47 0.55 1.25 -0.57 0.00 0.00 179.45 181.10 3bb1 h LEU 140 N 0.73 0.87 -0.26 2.94 6.46 0.13 0.02 115.31 126.19 3bb1 h LEU 140 Ca 0.22 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 3bb1 h LEU 140 Cb -0.04 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 3bb1 h LEU 140 CO -0.07 0.56 0.06 0.58 -0.62 0.00 0.00 178.44 178.96 3bb1 h VAL 141 N 1.01 1.21 -0.96 1.05 2.07 -0.73 0.48 116.25 120.38 3bb1 h VAL 141 Ca 0.38 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3bb1 h VAL 141 Cb 0.16 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3bb1 h VAL 141 CO -0.17 0.23 0.63 0.00 0.02 0.00 0.00 177.57 178.28 3bb1 h ALA 142 N 0.89 1.24 -0.24 1.67 0.00 -0.83 -2.79 119.26 119.19 3bb1 h ALA 142 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3bb1 h ALA 142 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3bb1 h ALA 142 CO 0.00 0.58 -0.01 -0.22 0.00 0.00 0.00 179.25 179.60 3bb1 h LYS 143 N 1.28 0.43 -0.94 0.00 3.64 -0.56 -1.07 116.57 119.34 3bb1 h LYS 143 Ca 0.36 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3bb1 h LYS 143 Cb -0.10 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 3bb1 h LYS 143 CO -0.09 0.62 0.59 0.00 -2.27 0.00 0.00 179.45 178.29 3bb1 h ALA 144 N 0.79 1.35 -0.50 5.00 0.00 -0.78 0.48 119.26 125.61 3bb1 h ALA 144 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3bb1 h ALA 144 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3bb1 h ALA 144 CO 0.01 0.28 0.14 0.82 0.00 0.00 0.00 179.25 180.51 3bb1 h ILE 145 N 1.01 1.23 -0.47 0.00 2.04 -1.29 0.35 117.51 120.39 3bb1 h ILE 145 Ca 0.43 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 3bb1 h ILE 145 Cb 0.30 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3bb1 h ILE 145 CO -0.22 0.29 0.03 0.74 0.00 0.00 0.00 178.15 178.99 3bb1 h THR 146 N 0.68 1.26 -0.64 -0.27 2.02 0.18 -1.59 112.91 114.55 3bb1 h THR 146 Ca 0.16 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3bb1 h THR 146 Cb 0.30 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3bb1 h THR 146 CO -0.00 0.35 0.28 0.44 0.37 0.00 0.00 175.52 176.96 3bb1 h ASP 147 N 0.67 0.83 -0.41 4.18 3.32 0.22 0.59 116.42 125.82 3bb1 h ASP 147 Ca 0.14 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 3bb1 h ASP 147 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3bb1 h ASP 147 CO 0.02 0.73 -0.25 0.28 -1.72 0.00 0.00 179.24 178.30 3bb1 h SER 148 N 0.91 0.93 0.00 6.45 0.02 0.25 -3.39 113.55 118.73 3bb1 h SER 148 Ca 0.22 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3bb1 h SER 148 Cb 0.14 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3bb1 h SER 148 CO -0.02 1.15 0.00 0.49 -1.14 0.00 0.00 176.83 177.31 3bb1 n PHE 149 N -4.16 0.00 0.00 3.45 3.72 -0.65 -4.08 117.46 115.74 3bb1 n PHE 149 Ca -0.01 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3bb1 n PHE 149 Cb 0.47 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3bb1 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bb1 n GLY 150 N -0.15 -0.71 0.34 1.37 0.00 0.20 -4.41 105.19 101.83 3bb1 n GLY 150 Ca 0.00 -1.60 0.17 0.00 0.00 0.00 0.00 46.02 44.59 3bb1 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb1 h LYS 151 N 0.00 0.00 0.00 1.61 1.57 -1.91 -2.51 116.57 115.33 3bb1 h LYS 151 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3bb1 h LYS 151 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3bb1 h LYS 151 CO 0.00 0.00 -0.39 0.78 -0.57 0.00 0.00 179.45 179.27 3bb1 h GLY 152 N 0.00 0.00 2.00 3.86 0.00 -1.95 -3.04 103.07 103.94 3bb1 h GLY 152 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3bb1 h GLY 152 CO -0.00 0.00 -0.06 1.19 0.00 0.00 0.00 176.54 177.67 3bb1 h ILE 153 N 0.00 0.42 0.00 2.60 2.10 -1.65 -2.09 117.51 118.88 3bb1 h ILE 153 Ca -0.00 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.53 3bb1 h ILE 153 Cb 0.96 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 3bb1 h ILE 153 CO 0.05 0.06 -0.37 -0.50 -1.08 0.00 0.00 178.15 176.31 3bb1 h TRP 154 N 0.00 0.00 0.00 2.19 4.06 -1.75 -2.56 115.95 117.89 3bb1 h TRP 154 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3bb1 h TRP 154 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3bb1 h TRP 154 CO 0.00 0.37 0.03 0.09 -3.56 0.00 0.00 178.44 175.37 3bb1 n ASN 155 N -3.37 0.00 -0.08 -3.49 3.02 -0.78 -1.83 115.26 108.73 3bb1 n ASN 155 Ca 0.01 0.45 0.02 0.00 -0.03 0.00 0.00 54.58 55.04 3bb1 n ASN 155 Cb 0.57 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3bb1 n ASN 155 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3bb1 n LYS 156 N -1.45 1.55 -3.31 3.52 4.76 -0.97 -4.85 118.16 117.41 3bb1 n LYS 156 Ca 0.00 -1.48 -0.32 0.00 -2.87 0.00 0.00 58.31 53.64 3bb1 n LYS 156 Cb 0.03 -0.95 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 3bb1 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bb1 s ALA 157 N -1.11 3.48 -0.03 7.82 0.00 -0.76 -1.20 121.76 129.96 3bb1 s ALA 157 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.91 3bb1 s ALA 157 Cb 0.07 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.63 3bb1 s ALA 157 CO 0.01 0.44 -0.09 0.42 0.00 0.00 0.00 175.76 176.54 3bb1 s ILE 158 N -1.85 0.79 -0.21 0.00 1.01 0.11 -4.16 121.20 116.89 3bb1 s ILE 158 Ca 0.49 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 3bb1 s ILE 158 Cb -0.11 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 3bb1 s ILE 158 CO 0.20 0.25 0.25 -0.69 0.00 0.00 0.00 174.94 174.94 3bb1 s VAL 159 N 0.19 5.31 -0.36 2.92 1.01 0.12 -0.94 120.40 128.65 3bb1 s VAL 159 Ca -0.03 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3bb1 s VAL 159 Cb -0.09 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.81 3bb1 s VAL 159 CO 0.00 0.34 0.10 0.00 0.00 0.00 0.00 175.10 175.55 3bb1 s ALA 160 N 0.89 2.99 -0.50 5.51 0.00 -0.26 -0.46 121.76 129.93 3bb1 s ALA 160 Ca 0.13 -2.51 -0.27 0.00 0.00 0.00 0.00 51.96 49.31 3bb1 s ALA 160 Cb -0.13 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.89 3bb1 s ALA 160 CO 0.04 -1.71 1.07 -0.51 0.00 0.00 0.00 175.76 174.65 3bb1 s LEU 161 N 1.00 3.74 0.00 0.00 1.43 -0.37 -2.17 118.68 122.31 3bb1 s LEU 161 Ca 0.09 0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 3bb1 s LEU 161 Cb -0.20 -3.33 0.22 0.00 0.03 0.00 0.00 46.19 42.91 3bb1 s LEU 161 CO -0.06 -1.23 1.27 0.35 0.23 0.00 0.00 176.35 176.91 3bb1 n THR 162 N 6.65 0.00 -3.61 5.49 -2.24 0.40 -0.71 114.28 120.27 3bb1 n THR 162 Ca 0.09 -0.91 -0.22 0.00 -2.27 0.00 0.00 64.05 60.73 3bb1 n THR 162 Cb 0.49 -1.51 0.07 0.00 -2.10 0.00 0.00 70.33 67.28 3bb1 n THR 162 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bb1 n HIS 163 N -3.85 -2.43 0.22 4.78 8.25 -0.98 -1.55 115.22 119.65 3bb1 n HIS 163 Ca 0.16 0.95 0.11 0.00 -0.26 0.00 0.00 57.72 58.68 3bb1 n HIS 163 Cb 0.56 -4.80 0.38 0.00 1.12 0.00 0.00 29.99 27.26 3bb1 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb1 h ALA 164 N 0.95 0.96 -0.99 -1.41 0.00 -1.47 -3.40 119.26 113.90 3bb1 h ALA 164 Ca -0.58 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 53.66 3bb1 h ALA 164 Cb 1.36 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 3bb1 h ALA 164 CO 0.56 0.21 1.29 -1.14 0.00 0.00 0.00 179.25 180.17 3bb1 s GLN 165 N -3.45 3.30 -0.20 0.00 0.74 -1.26 -4.66 119.66 114.12 3bb1 s GLN 165 Ca 0.03 -0.91 -0.14 0.00 0.05 0.00 0.00 55.36 54.39 3bb1 s GLN 165 Cb 0.08 -5.28 0.06 0.00 1.10 0.00 0.00 33.01 28.97 3bb1 s GLN 165 CO 0.64 -2.55 0.51 0.12 -0.55 0.00 0.00 175.29 173.46 3bb1 s PHE 166 N 6.45 -0.69 -0.40 1.67 5.36 -1.26 -5.10 117.98 124.01 3bb1 s PHE 166 Ca 0.53 1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 57.86 3bb1 s PHE 166 Cb -0.02 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 43.00 3bb1 s PHE 166 CO -0.07 -0.35 0.28 -1.12 -1.46 0.00 0.00 175.22 172.50 3bb1 s SER 167 N 1.00 6.06 0.82 6.13 0.01 -1.26 -4.98 113.70 121.48 3bb1 s SER 167 Ca -0.06 -0.87 -0.13 0.00 1.31 0.00 0.00 55.95 56.19 3bb1 s SER 167 Cb -0.06 -2.14 0.07 0.00 0.21 0.00 0.00 66.02 64.10 3bb1 s SER 167 CO -0.09 -0.42 1.03 -2.65 0.41 0.00 0.00 173.24 171.52 3bb1 n PRO 168 N 5.14 0.12 -2.91 12.44 -0.02 -1.26 -4.99 135.00 143.52 3bb1 n PRO 168 Ca -0.11 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.24 3bb1 n PRO 168 Cb 0.47 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3bb1 n PRO 168 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bb1 s PRO 169 N -3.91 3.12 -1.53 0.52 0.05 -1.26 -4.14 135.00 127.85 3bb1 s PRO 169 Ca 0.70 -0.35 -0.05 0.00 0.05 0.00 0.00 61.00 61.35 3bb1 s PRO 169 Cb -0.29 -2.51 0.01 0.00 0.05 0.00 0.00 34.50 31.76 3bb1 s PRO 169 CO 0.54 -0.29 0.70 -0.25 0.05 0.00 0.00 177.00 177.75 3bb1 n ASP 170 N -2.14 -6.17 -2.03 6.66 8.00 -1.26 -3.02 116.55 116.59 3bb1 n ASP 170 Ca 0.01 -0.33 -0.16 0.00 0.71 0.00 0.00 54.79 55.02 3bb1 n ASP 170 Cb 0.57 -4.97 -0.03 0.00 -0.02 0.00 0.00 41.12 36.67 3bb1 n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bb1 n GLY 171 N -1.61 0.36 3.72 0.44 0.00 -1.26 -4.92 105.19 101.93 3bb1 n GLY 171 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3bb1 n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bb1 s LEU 172 N -5.14 4.38 0.18 0.99 2.96 -1.17 -4.92 118.68 115.97 3bb1 s LEU 172 Ca 0.00 2.38 -0.32 0.00 -0.22 0.00 0.00 54.13 55.97 3bb1 s LEU 172 Cb 0.00 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.98 3bb1 s LEU 172 CO 0.00 -0.66 1.74 -2.65 -1.32 0.00 0.00 176.35 173.46 3bb1 n PRO 173 N 3.72 2.71 -0.30 0.98 -0.02 -1.26 -4.46 135.00 136.36 3bb1 n PRO 173 Ca 0.11 0.98 0.14 0.00 -2.02 0.00 0.00 63.50 62.71 3bb1 n PRO 173 Cb 0.42 -2.83 0.28 0.00 -0.02 0.00 0.00 33.50 31.35 3bb1 n PRO 173 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3bb1 n TYR 174 N 4.31 0.60 0.17 6.00 9.36 -1.26 0.32 117.16 136.65 3bb1 n TYR 174 Ca 0.17 1.06 0.03 0.00 3.32 0.00 0.00 57.90 62.48 3bb1 n TYR 174 Cb 0.35 -1.18 0.26 0.00 -0.63 0.00 0.00 39.34 38.13 3bb1 n TYR 174 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 3bb1 h ASP 175 N 0.00 0.00 0.04 2.98 2.03 -1.99 -2.36 116.42 117.12 3bb1 h ASP 175 Ca 0.55 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.62 3bb1 h ASP 175 Cb 1.17 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.68 3bb1 h ASP 175 CO -0.82 0.47 -0.90 -0.08 -1.03 0.00 0.00 179.24 176.88 3bb1 h GLU 176 N 0.00 0.65 -0.16 4.15 4.81 -0.50 -0.96 114.58 122.56 3bb1 h GLU 176 Ca -0.00 -0.62 -0.02 0.00 -0.13 0.00 0.00 59.36 58.59 3bb1 h GLU 176 Cb 1.01 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3bb1 h GLU 176 CO 0.06 1.22 0.02 0.35 -0.73 0.00 0.00 179.01 179.93 3bb1 h PHE 177 N 0.40 0.29 -0.98 0.92 3.04 -1.35 -2.55 116.94 116.73 3bb1 h PHE 177 Ca -0.08 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.84 3bb1 h PHE 177 Cb 1.53 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.92 3bb1 h PHE 177 CO 0.08 0.45 0.65 0.35 -2.02 0.00 0.00 178.31 177.82 3bb1 h PHE 178 N 0.05 1.22 -0.53 0.41 3.57 -1.41 -1.29 116.94 118.96 3bb1 h PHE 178 Ca 0.05 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 3bb1 h PHE 178 Cb 0.32 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3bb1 h PHE 178 CO 0.02 0.77 -0.10 1.03 -2.23 0.00 0.00 178.31 177.80 3bb1 h SER 179 N 1.32 0.98 -0.04 0.41 0.87 -1.06 -1.84 113.55 114.19 3bb1 h SER 179 Ca 0.36 -0.31 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 3bb1 h SER 179 Cb -0.14 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 61.57 3bb1 h SER 179 CO -0.08 1.09 -0.92 0.11 -0.53 0.00 0.00 176.83 176.50 3bb1 h LYS 180 N 0.88 0.69 -0.45 2.24 1.57 -1.06 -1.72 116.57 118.72 3bb1 h LYS 180 Ca 0.14 -0.69 0.02 0.00 -1.87 0.00 0.00 60.65 58.25 3bb1 h LYS 180 Cb 0.65 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 3bb1 h LYS 180 CO 0.04 1.28 0.27 -0.09 -0.57 0.00 0.00 179.45 180.38 3bb1 h ARG 181 N 0.37 0.52 -0.78 3.15 9.65 -1.25 -1.36 114.38 124.67 3bb1 h ARG 181 Ca -0.10 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3bb1 h ARG 181 Cb 1.58 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 30.00 3bb1 h ARG 181 CO 0.18 0.35 0.48 0.77 2.80 0.00 0.00 179.97 184.55 3bb1 h SER 182 N 0.54 0.93 -0.17 -3.80 0.02 -1.28 -1.01 113.55 108.79 3bb1 h SER 182 Ca 0.18 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3bb1 h SER 182 Cb 0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3bb1 h SER 182 CO -0.08 0.71 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.19 3bb1 h GLU 183 N 1.07 0.33 -0.58 3.45 4.81 -0.75 -0.44 114.58 122.47 3bb1 h GLU 183 Ca 0.28 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3bb1 h GLU 183 Cb -0.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3bb1 h GLU 183 CO -0.06 0.61 0.06 0.00 -0.73 0.00 0.00 179.01 178.89 3bb1 h ALA 184 N 0.71 0.77 -0.11 2.92 0.00 -1.09 -1.45 119.26 121.01 3bb1 h ALA 184 Ca 0.04 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3bb1 h ALA 184 Cb 0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bb1 h ALA 184 CO 0.02 0.55 -0.69 1.25 0.00 0.00 0.00 179.25 180.38 3bb1 h LEU 185 N 0.87 0.57 -0.84 0.00 5.85 -1.05 -2.67 115.31 118.04 3bb1 h LEU 185 Ca 0.17 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 3bb1 h LEU 185 Cb 0.47 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3bb1 h LEU 185 CO 0.02 1.10 0.10 -0.07 -0.34 0.00 0.00 178.44 179.24 3bb1 h LEU 186 N 0.34 0.92 0.26 2.25 3.38 -0.83 -0.05 115.31 121.59 3bb1 h LEU 186 Ca -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3bb1 h LEU 186 Cb 1.27 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3bb1 h LEU 186 CO 0.12 0.92 -0.13 -0.61 0.09 0.00 0.00 178.44 178.84 3bb1 h GLN 187 N 0.91 -0.34 -0.38 1.13 5.75 -1.07 0.34 115.11 121.45 3bb1 h GLN 187 Ca 0.19 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 3bb1 h GLN 187 Cb 0.40 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3bb1 h GLN 187 CO 0.01 -0.16 0.19 -0.24 -2.65 0.00 0.00 178.83 175.98 3bb1 h VAL 188 N -0.44 0.99 -0.19 2.39 3.04 -1.44 0.44 116.25 121.04 3bb1 h VAL 188 Ca -0.04 -0.14 0.05 0.00 -1.01 0.00 0.00 66.70 65.57 3bb1 h VAL 188 Cb 0.33 0.56 -0.05 0.00 -2.01 0.00 0.00 31.29 30.11 3bb1 h VAL 188 CO 0.06 0.07 -0.16 0.58 -1.01 0.00 0.00 177.57 177.11 3bb1 h VAL 189 N 0.39 0.56 -0.79 1.51 2.07 -0.79 -1.26 116.25 117.95 3bb1 h VAL 189 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3bb1 h VAL 189 Cb 0.06 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3bb1 h VAL 189 CO -0.11 0.00 0.45 0.03 0.02 0.00 0.00 177.57 177.96 3bb1 h ARG 190 N -0.17 1.08 0.33 1.57 3.08 0.33 -0.85 114.38 119.76 3bb1 h ARG 190 Ca 0.12 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bb1 h ARG 190 Cb 0.34 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3bb1 h ARG 190 CO -0.29 0.79 -0.32 0.77 -1.07 0.00 0.00 179.97 179.85 3bb1 h SER 191 N 1.08 -0.86 -0.03 7.04 0.02 0.06 -0.26 113.55 120.61 3bb1 h SER 191 Ca 0.28 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3bb1 h SER 191 Cb 0.01 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3bb1 h SER 191 CO -0.05 -0.45 -0.24 1.23 -1.14 0.00 0.00 176.83 176.18 3bb1 h GLY 192 N -0.67 0.47 2.00 -3.77 0.00 -1.02 -0.77 103.07 99.30 3bb1 h GLY 192 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3bb1 h GLY 192 CO -0.05 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.82 3bb1 n ALA 193 N -2.48 2.08 -3.76 3.60 0.00 -0.34 -3.50 120.51 116.10 3bb1 n ALA 193 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3bb1 n ALA 193 Cb 0.39 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.44 3bb1 n ALA 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bb1 n SER 194 N -1.94 -5.11 -2.01 0.00 3.41 -0.24 -4.91 113.62 102.81 3bb1 n SER 194 Ca 0.05 -0.99 -0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3bb1 n SER 194 Cb 0.33 -2.62 0.00 0.00 -0.26 0.00 0.00 64.21 61.66 3bb1 n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bb1 n LEU 195 N -3.78 0.00 0.00 1.04 4.77 -0.46 -5.04 117.00 113.53 3bb1 n LEU 195 Ca -0.15 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3bb1 n LEU 195 Cb 0.60 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3bb1 n LEU 195 CO 0.67 -0.50 -0.15 0.29 -1.33 0.00 0.00 177.39 176.37 3bb1 n LYS 196 N -1.01 0.00 -0.21 3.23 5.02 -1.26 -4.80 118.16 119.13 3bb1 n LYS 196 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3bb1 n LYS 196 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3bb1 n LYS 196 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3bb1 n SER 202 N -2.21 0.00 -4.31 4.39 7.64 -1.26 -5.20 113.62 112.67 3bb1 n SER 202 Ca 0.00 -0.89 -0.46 0.00 1.01 0.00 0.00 58.87 58.53 3bb1 n SER 202 Cb 0.15 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 3bb1 n SER 202 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3bb1 s ASP 203 N 0.00 6.21 -0.48 6.43 2.15 -1.26 -4.95 116.67 124.77 3bb1 s ASP 203 Ca 0.00 -1.85 -0.02 0.00 0.43 0.00 0.00 52.55 51.11 3bb1 s ASP 203 Cb 0.00 -2.21 0.13 0.00 -0.30 0.00 0.00 42.92 40.54 3bb1 s ASP 203 CO 0.00 -0.84 0.27 -0.51 -0.17 0.00 0.00 175.17 173.92 3bb1 s ILE 204 N 1.50 3.31 0.65 4.11 2.07 -1.26 -5.05 121.20 126.53 3bb1 s ILE 204 Ca 0.04 -2.43 -0.16 0.00 -1.41 0.00 0.00 60.65 56.69 3bb1 s ILE 204 Cb -0.29 -3.24 -0.01 0.00 0.13 0.00 0.00 42.46 39.05 3bb1 s ILE 204 CO 0.02 -0.75 1.14 -2.84 -1.91 0.00 0.00 174.94 170.60 3bb1 s PRO 205 N 0.67 2.78 -0.10 3.50 0.02 -1.26 -4.73 135.00 135.88 3bb1 s PRO 205 Ca 0.12 1.54 0.04 0.00 0.02 0.00 0.00 61.00 62.71 3bb1 s PRO 205 Cb -0.22 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3bb1 s PRO 205 CO -0.04 -1.29 -0.24 0.08 -0.33 0.00 0.00 177.00 175.18 3bb1 s VAL 206 N -2.11 2.06 0.12 3.83 1.01 -1.26 0.12 120.40 124.17 3bb1 s VAL 206 Ca 0.70 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3bb1 s VAL 206 Cb -0.24 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3bb1 s VAL 206 CO 0.39 0.56 -0.24 0.68 0.00 0.00 0.00 175.10 176.49 3bb1 s VAL 207 N 0.38 2.00 -0.09 2.92 -7.23 0.39 -4.97 120.40 113.80 3bb1 s VAL 207 Ca -0.18 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 3bb1 s VAL 207 Cb -0.18 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3bb1 s VAL 207 CO 0.08 0.00 0.09 -0.76 -0.31 0.00 0.00 175.10 174.20 3bb1 s LEU 208 N -2.03 4.06 -0.02 1.32 1.43 -1.26 -1.24 118.68 120.94 3bb1 s LEU 208 Ca 0.11 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 3bb1 s LEU 208 Cb -0.10 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 3bb1 s LEU 208 CO 0.05 0.38 -0.19 -0.63 0.23 0.00 0.00 176.35 176.19 3bb1 s ILE 209 N -1.01 1.52 -0.31 -0.59 1.01 0.11 -4.89 121.20 117.05 3bb1 s ILE 209 Ca 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3bb1 s ILE 209 Cb -0.12 -1.27 0.10 0.00 0.01 0.00 0.00 42.46 41.18 3bb1 s ILE 209 CO 0.05 0.43 0.09 -0.70 0.00 0.00 0.00 174.94 174.81 3bb1 s GLU 210 N -0.37 0.86 0.00 2.79 2.56 -1.26 -1.52 118.70 121.75 3bb1 s GLU 210 Ca 0.05 -1.20 0.28 0.00 0.00 0.00 0.00 54.97 54.11 3bb1 s GLU 210 Cb -0.08 -2.21 1.35 0.00 2.00 0.00 0.00 34.13 35.19 3bb1 s GLU 210 CO -0.00 -0.97 1.94 0.09 -0.56 0.00 0.00 175.26 175.77 3bb1 n ASN 211 N 4.75 0.00 -4.78 -1.70 3.02 -1.26 -4.88 115.26 110.41 3bb1 n ASN 211 Ca -0.01 0.06 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 3bb1 n ASN 211 Cb 0.42 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 3bb1 n ASN 211 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3bb1 s SER 212 N -2.70 6.34 0.45 6.41 0.15 -1.26 -4.91 113.70 118.18 3bb1 s SER 212 Ca 0.23 2.16 0.23 0.00 0.70 0.00 0.00 55.95 59.26 3bb1 s SER 212 Cb 0.19 -2.59 1.04 0.00 -1.71 0.00 0.00 66.02 62.95 3bb1 s SER 212 CO 0.45 -0.79 1.90 1.23 1.20 0.00 0.00 173.24 177.22 3bb1 h GLY 213 N 2.05 0.00 -1.18 9.45 0.00 -2.05 -3.06 103.07 108.27 3bb1 h GLY 213 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3bb1 h GLY 213 CO 0.60 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.18 3bb1 n ARG 214 N -3.60 1.64 -2.44 4.80 1.85 -1.26 -4.92 116.66 112.73 3bb1 n ARG 214 Ca -0.01 -0.60 -0.41 0.00 -1.00 0.00 0.00 57.85 55.83 3bb1 n ARG 214 Cb 0.37 -1.47 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 3bb1 n ARG 214 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bb1 n ASN 216 N 2.63 3.83 -4.85 0.00 3.02 -1.26 -4.81 115.26 113.82 3bb1 n ASN 216 Ca 0.04 0.94 -0.32 0.00 -0.03 0.00 0.00 54.58 55.22 3bb1 n ASN 216 Cb 0.45 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.14 3bb1 n ASN 216 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bb1 s LYS 217 N 4.19 3.88 0.23 3.52 1.02 -1.26 -0.62 119.74 130.69 3bb1 s LYS 217 Ca 0.90 0.84 0.03 0.00 0.02 0.00 0.00 55.97 57.77 3bb1 s LYS 217 Cb -0.56 -2.18 0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3bb1 s LYS 217 CO 0.46 -0.26 0.31 0.27 -0.92 0.00 0.00 175.35 175.22 3bb1 n ASN 218 N -1.66 0.77 -0.17 2.83 0.23 0.21 -4.81 115.26 112.66 3bb1 n ASN 218 Ca 0.06 -1.57 0.11 0.00 -0.53 0.00 0.00 54.58 52.65 3bb1 n ASN 218 Cb 0.54 -0.17 0.43 0.00 -2.08 0.00 0.00 39.78 38.49 3bb1 n ASN 218 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 3bb1 h ASP 219 N 0.01 0.53 -0.18 0.53 3.58 -1.99 -0.02 116.42 118.89 3bb1 h ASP 219 Ca -0.11 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3bb1 h ASP 219 Cb 0.48 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3bb1 h ASP 219 CO 0.15 0.31 0.00 -1.20 -2.88 0.00 0.00 179.24 175.62 3bb1 n SER 220 N -4.49 1.61 -0.09 2.28 7.64 -1.26 -4.92 113.62 114.38 3bb1 n SER 220 Ca 0.13 -1.72 -0.01 0.00 1.01 0.00 0.00 58.87 58.27 3bb1 n SER 220 Cb 0.38 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.46 3bb1 n SER 220 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bb1 n ASP 221 N 0.29 -3.14 -4.83 6.43 2.03 -0.02 -4.62 116.55 112.69 3bb1 n ASP 221 Ca 0.16 0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.16 3bb1 n ASP 221 Cb 0.31 -0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 39.91 3bb1 n ASP 221 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3bb1 s GLU 222 N -2.09 4.13 -0.02 -0.67 2.02 -1.26 -4.44 118.70 116.37 3bb1 s GLU 222 Ca 0.00 0.86 -0.30 0.00 0.02 0.00 0.00 54.97 55.55 3bb1 s GLU 222 Cb 0.00 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 3bb1 s GLU 222 CO 0.00 0.14 1.94 0.15 0.02 0.00 0.00 175.26 177.51 3bb1 s LYS 223 N -2.86 4.01 0.09 1.61 1.02 -1.26 -0.62 119.74 121.73 3bb1 s LYS 223 Ca 0.55 2.44 0.08 0.00 0.02 0.00 0.00 55.97 59.07 3bb1 s LYS 223 Cb -0.11 -4.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.01 3bb1 s LYS 223 CO 0.17 -1.09 -0.22 0.14 -0.92 0.00 0.00 175.35 173.43 3bb1 s VAL 224 N 4.88 1.77 0.69 3.17 -7.23 0.21 -2.02 120.40 121.88 3bb1 s VAL 224 Ca 0.87 -1.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 3bb1 s VAL 224 Cb -0.39 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 34.97 3bb1 s VAL 224 CO 0.39 0.04 1.06 -0.76 -0.31 0.00 0.00 175.10 175.52 3bb1 s LEU 225 N -1.72 3.18 0.51 1.32 1.43 -0.34 -4.22 118.68 118.84 3bb1 s LEU 225 Ca 0.08 1.69 0.30 0.00 -1.03 0.00 0.00 54.13 55.16 3bb1 s LEU 225 Cb -0.10 -4.51 1.41 0.00 0.03 0.00 0.00 46.19 43.03 3bb1 s LEU 225 CO 0.04 -1.49 1.85 -0.65 0.23 0.00 0.00 176.35 176.33 3bb1 h PRO 226 N -0.59 0.09 -0.84 1.29 0.11 -1.90 -0.46 132.00 129.69 3bb1 h PRO 226 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3bb1 h PRO 226 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bb1 h PRO 226 CO 0.56 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 3bb1 n ASN 227 N -4.32 2.82 -0.40 -2.05 0.23 -1.26 -4.88 115.26 105.41 3bb1 n ASN 227 Ca 0.21 -2.36 -0.05 0.00 -0.53 0.00 0.00 54.58 51.85 3bb1 n ASN 227 Cb 0.98 -0.57 -0.02 0.00 -2.08 0.00 0.00 39.78 38.09 3bb1 n ASN 227 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bb1 n GLY 228 N 0.23 0.63 3.80 4.83 0.00 -0.18 -5.04 105.19 109.47 3bb1 n GLY 228 Ca 0.11 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3bb1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bb1 s ILE 229 N -1.74 4.76 -0.35 -0.61 1.01 -1.25 -4.77 121.20 118.24 3bb1 s ILE 229 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 3bb1 s ILE 229 Cb 0.00 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3bb1 s ILE 229 CO 0.00 0.54 1.67 0.00 0.00 0.00 0.00 174.94 177.14 3bb1 s ALA 230 N -0.98 2.94 0.19 9.38 0.00 -1.26 -1.19 121.76 130.83 3bb1 s ALA 230 Ca 0.29 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 3bb1 s ALA 230 Cb -0.19 -3.99 0.10 0.00 0.00 0.00 0.00 23.12 19.04 3bb1 s ALA 230 CO 0.19 -2.53 1.55 0.11 0.00 0.00 0.00 175.76 175.08 3bb1 h TRP 231 N 12.10 0.89 0.17 0.00 5.08 -1.75 -3.12 115.95 129.31 3bb1 h TRP 231 Ca -0.32 -0.26 -0.01 0.00 1.08 0.00 0.00 58.89 59.39 3bb1 h TRP 231 Cb 1.15 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 3bb1 h TRP 231 CO 0.96 1.01 -0.08 0.82 -1.28 0.00 0.00 178.44 179.87 3bb1 h ILE 232 N 0.62 0.89 -0.52 0.12 2.04 -1.91 -0.05 117.51 118.71 3bb1 h ILE 232 Ca 0.06 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.73 3bb1 h ILE 232 Cb 0.92 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3bb1 h ILE 232 CO 0.08 0.06 0.35 -0.65 0.00 0.00 0.00 178.15 177.99 3bb1 h PRO 233 N -0.35 0.37 0.10 2.37 0.11 -1.89 -1.67 132.00 131.04 3bb1 h PRO 233 Ca -0.02 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.80 3bb1 h PRO 233 Cb 0.27 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.31 3bb1 h PRO 233 CO 0.04 0.25 -1.17 1.25 -0.21 0.00 0.00 178.00 178.16 3bb1 h HIS 234 N 0.39 0.66 -0.51 0.65 2.76 -1.34 0.48 115.15 118.25 3bb1 h HIS 234 Ca 0.23 -0.43 -0.05 0.00 -2.20 0.00 0.00 60.37 57.93 3bb1 h HIS 234 Cb 0.41 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 3bb1 h HIS 234 CO -0.00 1.30 0.14 1.25 -1.30 0.00 0.00 177.93 179.32 3bb1 h LEU 235 N 0.16 0.76 -0.94 0.26 5.85 -0.66 -0.93 115.31 119.81 3bb1 h LEU 235 Ca -0.14 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 3bb1 h LEU 235 Cb 1.86 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 3bb1 h LEU 235 CO 0.20 0.78 -0.40 0.58 -0.34 0.00 0.00 178.44 179.26 3bb1 h VAL 236 N 0.69 1.31 -0.46 1.05 2.07 -1.11 0.21 116.25 120.01 3bb1 h VAL 236 Ca 0.16 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 3bb1 h VAL 236 Cb 0.31 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3bb1 h VAL 236 CO -0.00 0.45 0.09 -0.61 0.02 0.00 0.00 177.57 177.52 3bb1 h GLN 237 N 0.22 0.75 -0.34 1.57 4.15 0.22 0.10 115.11 121.79 3bb1 h GLN 237 Ca 0.02 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.18 3bb1 h GLN 237 Cb 0.81 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3bb1 h GLN 237 CO 0.06 0.76 -0.04 1.15 -1.93 0.00 0.00 178.83 178.84 3bb1 h THR 238 N 0.62 1.27 -0.73 2.39 2.02 -0.85 0.35 112.91 117.98 3bb1 h THR 238 Ca 0.14 -1.04 0.13 0.00 0.77 0.00 0.00 66.41 66.41 3bb1 h THR 238 Cb 0.36 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.95 3bb1 h THR 238 CO 0.01 0.34 0.30 0.40 0.37 0.00 0.00 175.52 176.93 3bb1 h ILE 239 N 0.41 0.69 -0.23 3.11 2.04 -0.46 -0.44 117.51 122.63 3bb1 h ILE 239 Ca 0.09 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3bb1 h ILE 239 Cb 0.51 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3bb1 h ILE 239 CO 0.02 0.08 -0.08 0.74 0.00 0.00 0.00 178.15 178.92 3bb1 h THR 240 N 0.46 1.29 -0.74 -0.27 2.02 0.22 -0.81 112.91 115.08 3bb1 h THR 240 Ca 0.40 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.50 3bb1 h THR 240 Cb 0.57 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 3bb1 h THR 240 CO -0.38 0.34 0.46 -0.33 0.37 0.00 0.00 175.52 175.99 3bb1 h GLU 241 N 0.19 0.87 0.53 6.66 5.08 0.86 -1.82 114.58 126.95 3bb1 h GLU 241 Ca 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3bb1 h GLU 241 Cb 0.56 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3bb1 h GLU 241 CO 0.03 0.58 -0.26 0.28 -1.00 0.00 0.00 179.01 178.64 3bb1 h VAL 242 N 0.90 0.35 -0.93 3.13 2.07 -1.09 -2.02 116.25 118.66 3bb1 h VAL 242 Ca 0.30 -0.38 0.27 0.00 0.82 0.00 0.00 66.70 67.71 3bb1 h VAL 242 Cb 0.04 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3bb1 h VAL 242 CO -0.12 0.05 1.13 0.00 0.02 0.00 0.00 177.57 178.65 3bb1 h ALA 243 N -0.70 2.84 -0.07 1.67 0.00 -0.89 0.16 119.26 122.27 3bb1 h ALA 243 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bb1 h ALA 243 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3bb1 h ALA 243 CO 0.12 -1.61 0.00 1.28 0.00 0.00 0.00 179.25 179.04 3bb1 n LEU 244 N -3.26 2.57 0.00 0.00 4.77 -0.71 -5.04 117.00 115.34 3bb1 n LEU 244 Ca 0.21 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 3bb1 n LEU 244 Cb 1.41 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3bb1 n LEU 244 CO 0.23 0.66 0.00 -0.46 -1.33 0.00 0.00 177.39 176.48 3bb1 n ASN 245 N -0.92 -0.66 -0.48 -1.43 0.23 0.57 -4.94 115.26 107.64 3bb1 n ASN 245 Ca 0.13 -0.53 0.11 0.00 -0.53 0.00 0.00 54.58 53.76 3bb1 n ASN 245 Cb 0.58 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.70 3bb1 n ASN 245 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3bb1 n LYS 246 N -1.19 1.63 -4.19 -3.83 5.02 -1.26 -4.95 118.16 109.39 3bb1 n LYS 246 Ca 0.00 -0.95 -0.29 0.00 -2.02 0.00 0.00 58.31 55.06 3bb1 n LYS 246 Cb 0.00 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 3bb1 n LYS 246 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3bb1 s SER 247 N -1.63 4.75 0.44 4.39 0.01 -1.26 -5.10 113.70 115.30 3bb1 s SER 247 Ca 0.33 -0.32 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 3bb1 s SER 247 Cb 0.17 -1.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.29 3bb1 s SER 247 CO 0.27 0.14 0.92 -1.83 0.41 0.00 0.00 173.24 173.14 3bb1 s GLU 248 N -2.55 4.08 1.00 12.44 -1.05 -1.26 -5.03 118.70 126.33 3bb1 s GLU 248 Ca 0.25 0.96 -0.11 0.00 -0.15 0.00 0.00 54.97 55.92 3bb1 s GLU 248 Cb -0.11 -2.22 0.18 0.00 -0.44 0.00 0.00 34.13 31.55 3bb1 s GLU 248 CO 0.17 -0.08 1.03 0.43 0.95 0.00 0.00 175.26 177.76 3bb1 n SER 249 N -0.93 -0.49 -4.49 0.83 7.64 -1.26 -4.90 113.62 110.02 3bb1 n SER 249 Ca 0.06 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.84 3bb1 n SER 249 Cb 0.54 -1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.23 3bb1 n SER 249 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3bb1 s ILE 250 N -2.55 3.85 -0.23 0.44 1.09 -0.37 -4.98 121.20 118.46 3bb1 s ILE 250 Ca 0.66 -0.37 -0.06 0.00 -1.10 0.00 0.00 60.65 59.79 3bb1 s ILE 250 Cb -0.23 -2.69 -0.02 0.00 -1.06 0.00 0.00 42.46 38.46 3bb1 s ILE 250 CO 0.61 0.49 0.01 0.12 -0.10 0.00 0.00 174.94 176.07 3bb1 s PHE 251 N 0.41 3.03 -0.52 3.97 5.36 -1.26 -0.55 117.98 128.42 3bb1 s PHE 251 Ca -0.04 -0.62 -0.18 0.00 -0.96 0.00 0.00 56.93 55.13 3bb1 s PHE 251 Cb -0.14 -2.16 0.08 0.00 -0.34 0.00 0.00 43.02 40.46 3bb1 s PHE 251 CO 0.03 -0.40 0.57 0.08 -1.46 0.00 0.00 175.22 174.03 3bb1 s VAL 252 N 1.44 5.00 0.46 3.12 1.01 -0.02 -4.94 120.40 126.46 3bb1 s VAL 252 Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3bb1 s VAL 252 Cb -0.15 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3bb1 s VAL 252 CO 0.01 -0.82 0.04 1.51 0.00 0.00 0.00 175.10 175.84 3bb1 s ASP 253 N 2.98 3.59 0.30 3.32 -4.77 -1.26 0.17 116.67 121.00 3bb1 s ASP 253 Ca 0.10 -1.61 0.06 0.00 -3.30 0.00 0.00 52.55 47.80 3bb1 s ASP 253 Cb -0.23 0.36 0.74 0.00 -1.09 0.00 0.00 42.92 42.70 3bb1 s ASP 253 CO 0.08 -0.81 1.77 0.50 0.70 0.00 0.00 175.17 177.41 3bb1 h LYS 254 N 1.58 0.71 -0.95 2.11 1.63 -1.99 -1.48 116.57 118.18 3bb1 h LYS 254 Ca -0.41 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.19 3bb1 h LYS 254 Cb 1.29 -0.16 -0.09 0.00 -0.60 0.00 0.00 32.23 32.66 3bb1 h LYS 254 CO 0.70 0.47 0.20 0.09 -3.45 0.00 0.00 179.45 177.46 3bb1 n ASN 255 N -4.79 3.24 0.00 4.20 3.02 -1.26 -2.52 115.26 117.14 3bb1 n ASN 255 Ca 0.23 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 3bb1 n ASN 255 Cb 0.58 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3bb1 n ASN 255 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3bb1 n LEU 256 N -0.07 0.49 0.05 3.41 7.94 -0.58 -4.83 117.00 123.42 3bb1 n LEU 256 Ca 0.22 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.02 3bb1 n LEU 256 Cb 0.90 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.79 3bb1 n LEU 256 CO 0.22 -0.09 0.51 0.40 -1.11 0.00 0.00 177.39 177.32 3bb1 h ILE 257 N 0.00 0.00 -0.01 1.96 2.04 -1.57 -3.43 117.51 116.50 3bb1 h ILE 257 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3bb1 h ILE 257 Cb 0.35 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3bb1 h ILE 257 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62