#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb1 s ARG 9 N 0.00 2.96 0.48 1.45 0.52 -1.22 -4.88 118.95 118.26 3bb1 s ARG 9 Ca 0.00 -1.12 -0.24 0.00 -0.52 0.00 0.00 55.73 53.85 3bb1 s ARG 9 Cb 0.00 -2.66 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 3bb1 s ARG 9 CO 0.00 0.13 1.35 0.20 0.02 0.00 0.00 175.30 177.00 3bb1 s GLY 10 N -4.06 2.89 -1.12 -3.53 0.00 -1.26 -0.14 107.32 100.10 3bb1 s GLY 10 Ca 0.42 1.32 -0.07 0.00 0.00 0.00 0.00 44.72 46.39 3bb1 s GLY 10 CO 0.29 1.88 2.36 1.87 0.00 0.00 0.00 173.10 179.49 3bb1 n TRP 11 N -0.48 1.68 -0.07 1.90 -0.00 0.47 -4.62 117.44 116.32 3bb1 n TRP 11 Ca 0.07 -2.30 0.20 0.00 -0.00 0.00 0.00 57.50 55.48 3bb1 n TRP 11 Cb 0.44 -1.91 0.65 0.00 -0.00 0.00 0.00 31.31 30.48 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 5.94 0.10 -0.89 5.87 4.64 -1.88 -2.54 113.55 124.80 3bb1 h SER 12 Ca 0.61 0.01 0.21 0.00 -0.47 0.00 0.00 61.79 62.14 3bb1 h SER 12 Cb 0.20 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 3bb1 h SER 12 CO 1.55 0.05 0.60 1.23 -0.87 0.00 0.00 176.83 179.39 3bb1 h GLY 13 N 0.11 0.75 2.00 -0.77 0.00 -1.80 -2.51 103.07 100.86 3bb1 h GLY 13 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3bb1 h GLY 13 CO -0.04 -0.01 0.00 1.19 0.00 0.00 0.00 176.54 177.69 3bb1 h ILE 14 N 0.35 0.00 0.00 2.60 2.10 -1.61 0.30 117.51 121.25 3bb1 h ILE 14 Ca 0.46 -0.31 -0.01 0.00 1.08 0.00 0.00 64.86 66.08 3bb1 h ILE 14 Cb 1.23 1.26 -0.00 0.00 -1.09 0.00 0.00 36.82 38.23 3bb1 h ILE 14 CO -0.15 0.00 -0.03 0.78 -1.08 0.00 0.00 178.15 177.66 3bb1 h ASN 15 N 0.00 0.00 1.34 2.19 2.35 -1.67 -2.04 115.58 117.75 3bb1 h ASN 15 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3bb1 h ASN 15 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3bb1 h ASN 15 CO 0.00 0.03 -0.22 0.71 -1.65 0.00 0.00 177.43 176.30 3bb1 h THR 16 N 0.00 0.43 -3.72 2.81 1.35 -0.59 -3.45 112.91 109.74 3bb1 h THR 16 Ca -0.00 -1.31 -0.47 0.00 -0.55 0.00 0.00 66.41 64.09 3bb1 h THR 16 Cb 0.14 1.96 0.19 0.00 -1.73 0.00 0.00 68.15 68.71 3bb1 h THR 16 CO 0.00 0.21 0.13 -0.36 -0.25 0.00 0.00 175.52 175.26 3bb1 s PHE 17 N -3.36 1.73 0.52 4.73 0.08 -0.77 -4.97 117.98 115.94 3bb1 s PHE 17 Ca 0.03 1.28 -0.21 0.00 0.12 0.00 0.00 56.93 58.15 3bb1 s PHE 17 Cb 0.08 -3.18 -0.06 0.00 -0.57 0.00 0.00 43.02 39.29 3bb1 s PHE 17 CO 0.66 -3.20 1.17 0.00 -0.10 0.00 0.00 175.22 173.74 3bb1 s ALA 18 N -2.68 2.78 0.35 5.36 0.00 -1.26 -4.81 121.76 121.49 3bb1 s ALA 18 Ca 0.66 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.61 3bb1 s ALA 18 Cb -0.22 -3.39 0.74 0.00 0.00 0.00 0.00 23.12 20.24 3bb1 s ALA 18 CO 0.61 -0.83 1.91 -1.35 0.00 0.00 0.00 175.76 176.10 3bb1 h PRO 19 N 1.46 0.75 -0.35 0.00 0.11 -1.92 0.34 132.00 132.40 3bb1 h PRO 19 Ca -0.50 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.62 3bb1 h PRO 19 Cb 1.26 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3bb1 h PRO 19 CO 0.58 0.50 0.05 0.00 -0.21 0.00 0.00 178.00 178.91 3bb1 h ALA 20 N 1.59 0.36 -0.14 -0.75 0.00 -1.92 -2.60 119.26 115.80 3bb1 h ALA 20 Ca 0.38 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 3bb1 h ALA 20 Cb 0.45 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3bb1 h ALA 20 CO -0.15 -0.36 -0.14 1.15 0.00 0.00 0.00 179.25 179.75 3bb1 h THR 21 N 0.16 1.18 -0.14 0.00 2.02 -1.58 -3.08 112.91 111.47 3bb1 h THR 21 Ca 0.17 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3bb1 h THR 21 Cb 0.21 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3bb1 h THR 21 CO -0.24 0.24 -0.00 1.56 0.37 0.00 0.00 175.52 177.45 3bb1 h GLN 22 N 0.21 0.25 -0.11 6.66 4.20 -0.60 -1.02 115.11 124.70 3bb1 h GLN 22 Ca 0.04 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3bb1 h GLN 22 Cb 0.38 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3bb1 h GLN 22 CO 0.02 0.49 -0.08 1.79 -0.67 0.00 0.00 178.83 180.38 3bb1 h THR 23 N -0.02 1.34 -0.83 -0.54 1.35 -1.51 0.13 112.91 112.83 3bb1 h THR 23 Ca 0.04 -1.16 0.08 0.00 -0.55 0.00 0.00 66.41 64.81 3bb1 h THR 23 Cb 0.38 1.86 -0.07 0.00 -1.73 0.00 0.00 68.15 68.60 3bb1 h THR 23 CO 0.01 0.33 0.50 0.11 -0.25 0.00 0.00 175.52 176.22 3bb1 h LYS 24 N -0.12 0.85 0.54 4.72 1.57 -1.63 0.69 116.57 123.19 3bb1 h LYS 24 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3bb1 h LYS 24 Cb 0.56 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3bb1 h LYS 24 CO 0.02 0.56 -0.48 1.25 -0.57 0.00 0.00 179.45 180.24 3bb1 h LEU 25 N 0.87 -1.28 -0.85 2.94 7.12 -1.07 0.70 115.31 123.74 3bb1 h LEU 25 Ca 0.38 0.10 0.04 0.00 0.13 0.00 0.00 57.88 58.53 3bb1 h LEU 25 Cb 0.25 0.41 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 3bb1 h LEU 25 CO -0.20 -0.66 0.54 -0.07 -0.13 0.00 0.00 178.44 177.92 3bb1 h LEU 26 N -1.00 0.88 0.72 2.25 3.38 -0.08 0.31 115.31 121.77 3bb1 h LEU 26 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3bb1 h LEU 26 Cb 0.86 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3bb1 h LEU 26 CO -0.03 0.59 -0.44 -0.08 0.09 0.00 0.00 178.44 178.57 3bb1 h GLU 27 N 1.03 -1.05 -1.05 1.13 4.81 0.44 0.16 114.58 120.05 3bb1 h GLU 27 Ca 0.35 0.07 0.28 0.00 -0.13 0.00 0.00 59.36 59.94 3bb1 h GLU 27 Cb 0.07 0.24 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 3bb1 h GLU 27 CO -0.14 -0.70 0.71 -0.07 -0.73 0.00 0.00 179.01 178.08 3bb1 h LEU 28 N -1.09 0.26 -0.52 1.64 3.38 -0.58 0.16 115.31 118.56 3bb1 h LEU 28 Ca -0.10 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3bb1 h LEU 28 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3bb1 h LEU 28 CO 0.10 0.06 -0.36 0.25 0.09 0.00 0.00 178.44 178.57 3bb1 h LEU 29 N 0.24 0.00 0.25 1.67 5.85 -0.53 -3.09 115.31 119.69 3bb1 h LEU 29 Ca 0.56 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.27 3bb1 h LEU 29 Cb 1.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.75 3bb1 h LEU 29 CO -0.17 0.36 -0.12 1.23 -0.34 0.00 0.00 178.44 179.40 3bb1 h GLY 30 N 2.82 -0.35 1.15 3.75 0.00 0.14 -3.24 103.07 107.35 3bb1 h GLY 30 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3bb1 h GLY 30 CO 0.05 -0.13 0.00 1.16 0.00 0.00 0.00 176.54 177.62 3bb1 n ASN 31 N -3.86 0.00 0.27 0.19 0.23 -1.04 0.46 115.26 111.51 3bb1 n ASN 31 Ca -0.04 -0.13 -0.11 0.00 -0.53 0.00 0.00 54.58 53.76 3bb1 n ASN 31 Cb 0.13 -0.08 -0.05 0.00 -2.08 0.00 0.00 39.78 37.70 3bb1 n ASN 31 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3bb1 h LEU 32 N 0.00 -0.63 -0.78 -4.53 3.38 -1.64 -3.33 115.31 107.78 3bb1 h LEU 32 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bb1 h LEU 32 Cb 0.02 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3bb1 h LEU 32 CO 0.00 -0.23 0.00 2.29 0.09 0.00 0.00 178.44 180.59 3bb1 n LYS 33 N -5.26 0.11 0.00 1.13 -0.00 0.17 -1.96 118.16 112.36 3bb1 n LYS 33 Ca -0.09 0.50 0.15 0.00 -0.00 0.00 0.00 58.31 58.87 3bb1 n LYS 33 Cb 0.30 -1.79 0.71 0.00 -0.00 0.00 0.00 35.03 34.24 3bb1 n LYS 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3bb1 n GLN 34 N -2.02 0.52 -1.09 -1.58 6.02 -0.33 -2.94 117.38 115.96 3bb1 n GLN 34 Ca 0.00 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 56.89 3bb1 n GLN 34 Cb 0.10 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.01 3bb1 n GLN 34 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3bb1 n GLU 35 N -1.18 2.10 -1.53 -1.09 -0.58 -0.90 -4.96 120.64 112.50 3bb1 n GLU 35 Ca 0.14 -3.50 -0.10 0.00 -0.42 0.00 0.00 57.16 53.29 3bb1 n GLU 35 Cb 0.25 -1.73 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.92 -2.78 -4.52 1.62 8.00 -1.15 -4.87 116.55 111.93 3bb1 n ASP 36 Ca 0.25 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 3bb1 n ASP 36 Cb 0.79 -2.65 -0.01 0.00 -0.02 0.00 0.00 41.12 39.24 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 -1.98 4.50 -2.07 2.53 1.01 -0.83 -4.76 120.40 118.80 3bb1 s VAL 37 Ca 0.00 -2.05 0.19 0.00 0.00 0.00 0.00 61.98 60.12 3bb1 s VAL 37 Cb 0.00 -5.04 0.51 0.00 0.00 0.00 0.00 36.38 31.85 3bb1 s VAL 37 CO 0.00 -1.82 1.68 0.59 0.00 0.00 0.00 175.10 175.55 3bb1 n ASN 38 N 7.24 0.42 -3.53 3.32 3.02 -1.26 -3.09 115.26 121.38 3bb1 n ASN 38 Ca 0.41 -1.49 -0.11 0.00 -0.03 0.00 0.00 54.58 53.36 3bb1 n ASN 38 Cb 0.46 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3bb1 n ASN 38 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3bb1 s SER 39 N -1.58 -0.41 -0.08 6.41 0.15 -1.26 -2.39 113.70 114.54 3bb1 s SER 39 Ca 0.29 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.13 3bb1 s SER 39 Cb 0.14 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 3bb1 s SER 39 CO 0.23 -0.52 0.20 -0.76 1.20 0.00 0.00 173.24 173.59 3bb1 s LEU 40 N -1.78 1.11 -0.22 3.45 1.43 -1.16 -5.00 118.68 116.52 3bb1 s LEU 40 Ca 0.00 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3bb1 s LEU 40 Cb -0.01 0.66 -0.03 0.00 0.03 0.00 0.00 46.19 46.85 3bb1 s LEU 40 CO -0.03 -0.09 0.05 -0.89 0.23 0.00 0.00 176.35 175.63 3bb1 s THR 41 N 0.31 4.39 -0.19 5.49 2.01 -1.26 -1.46 115.64 124.93 3bb1 s THR 41 Ca -0.02 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 3bb1 s THR 41 Cb -0.03 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3bb1 s THR 41 CO -0.01 0.40 0.01 -0.63 -0.69 0.00 0.00 174.62 173.69 3bb1 s ILE 42 N 1.06 4.11 -0.30 1.82 1.01 -0.41 -1.01 121.20 127.48 3bb1 s ILE 42 Ca 0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 3bb1 s ILE 42 Cb -0.14 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3bb1 s ILE 42 CO 0.03 0.44 0.10 -0.22 0.00 0.00 0.00 174.94 175.29 3bb1 s LEU 43 N 0.81 3.95 -0.25 2.97 2.96 0.16 -1.22 118.68 128.06 3bb1 s LEU 43 Ca 0.01 -0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 3bb1 s LEU 43 Cb -0.14 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3bb1 s LEU 43 CO 0.02 -0.20 0.15 -0.69 -1.32 0.00 0.00 176.35 174.32 3bb1 s VAL 44 N 1.53 5.18 0.05 1.68 1.01 -0.30 -0.02 120.40 129.54 3bb1 s VAL 44 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3bb1 s VAL 44 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3bb1 s VAL 44 CO 0.04 0.32 0.04 -0.04 0.00 0.00 0.00 175.10 175.45 3bb1 s MET 45 N 1.35 0.64 0.00 2.72 -1.94 -0.36 -3.75 119.30 117.96 3bb1 s MET 45 Ca 0.07 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 3bb1 s MET 45 Cb -0.15 0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.93 3bb1 s MET 45 CO 0.07 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 3bb1 n GLY 46 N 0.29 -1.04 3.46 -0.03 0.00 -1.26 -0.82 105.19 105.80 3bb1 n GLY 46 Ca -0.16 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 -1.29 0.66 1.61 1.02 -1.26 -0.21 119.74 118.27 3bb1 s LYS 47 Ca 0.00 0.70 -0.12 0.00 0.02 0.00 0.00 55.97 56.57 3bb1 s LYS 47 Cb 0.00 -1.52 -0.01 0.00 -0.52 0.00 0.00 37.83 35.78 3bb1 s LYS 47 CO 0.00 -3.93 1.05 0.20 -0.92 0.00 0.00 175.35 171.75 3bb1 s GLY 48 N -2.61 1.77 -0.98 -3.33 0.00 -1.26 -4.18 107.32 96.73 3bb1 s GLY 48 Ca 0.69 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3bb1 s GLY 48 CO 0.64 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.78 3bb1 n GLY 49 N -1.88 1.04 0.77 0.20 0.00 -1.26 -4.84 105.19 99.21 3bb1 n GLY 49 Ca 0.07 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.55 0.00 0.00 1.61 0.24 -1.26 -4.93 118.33 111.43 3bb1 n VAL 50 Ca -0.09 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3bb1 n VAL 50 Cb 0.39 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 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 1.16 0.85 0.11 7.63 0.00 -1.26 -4.43 105.19 109.24 3bb1 n GLY 51 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.24 -0.80 1.61 1.57 -1.91 -2.95 116.57 113.85 3bb1 h LYS 52 Ca 0.00 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 3bb1 h LYS 52 Cb 0.00 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3bb1 h LYS 52 CO 0.00 -0.16 0.54 0.77 -0.57 0.00 0.00 179.45 180.03 3bb1 h SER 53 N -0.41 0.31 -0.19 0.86 0.02 -1.91 0.45 113.55 112.68 3bb1 h SER 53 Ca -0.03 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 3bb1 h SER 53 Cb 0.19 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3bb1 h SER 53 CO 0.04 0.14 -0.11 0.28 -1.14 0.00 0.00 176.83 176.05 3bb1 h SER 54 N 0.32 0.55 -0.30 3.07 0.02 -1.91 0.15 113.55 115.45 3bb1 h SER 54 Ca 0.40 -0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 3bb1 h SER 54 Cb 1.08 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 3bb1 h SER 54 CO -0.12 0.70 -0.39 0.74 -1.14 0.00 0.00 176.83 176.62 3bb1 h THR 55 N 0.52 1.29 0.10 -2.27 2.02 0.04 0.14 112.91 114.75 3bb1 h THR 55 Ca 0.10 -1.57 0.02 0.00 0.77 0.00 0.00 66.41 65.72 3bb1 h THR 55 Cb 0.50 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 3bb1 h THR 55 CO 0.03 0.51 -0.46 0.58 0.37 0.00 0.00 175.52 176.55 3bb1 h VAL 56 N 0.55 0.10 -0.67 3.16 2.07 -0.89 -2.58 116.25 117.99 3bb1 h VAL 56 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 3bb1 h VAL 56 Cb 0.98 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3bb1 h VAL 56 CO 0.09 0.00 0.46 0.78 0.02 0.00 0.00 177.57 178.92 3bb1 h ASN 57 N -0.68 0.27 -0.36 0.57 2.35 -0.50 -1.72 115.58 115.51 3bb1 h ASN 57 Ca 0.02 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3bb1 h ASN 57 Cb 0.71 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3bb1 h ASN 57 CO -0.27 0.15 -0.25 0.28 -1.65 0.00 0.00 177.43 175.68 3bb1 h SER 58 N 0.29 0.85 -0.04 5.81 0.02 -0.41 -1.13 113.55 118.93 3bb1 h SER 58 Ca 0.33 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3bb1 h SER 58 Cb 0.86 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3bb1 h SER 58 CO -0.08 1.10 -0.11 0.40 -1.14 0.00 0.00 176.83 177.00 3bb1 h ILE 59 N 0.60 1.44 -0.76 3.27 2.04 -0.95 -2.81 117.51 120.35 3bb1 h ILE 59 Ca 0.07 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.47 3bb1 h ILE 59 Cb 0.82 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 3bb1 h ILE 59 CO 0.07 0.40 0.50 0.40 0.00 0.00 0.00 178.15 179.52 3bb1 h ILE 60 N -0.38 1.16 0.00 -0.67 1.08 -1.51 -3.46 117.51 113.72 3bb1 h ILE 60 Ca -0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3bb1 h ILE 60 Cb 0.71 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3bb1 h ILE 60 CO 0.02 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.27 3bb1 n GLY 61 N -1.42 0.83 3.60 5.37 0.00 -0.45 -3.73 105.19 109.39 3bb1 n GLY 61 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.65 1.54 -0.72 1.61 2.02 -1.08 -4.53 118.70 116.90 3bb1 s GLU 62 Ca 0.00 -1.17 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 3bb1 s GLU 62 Cb 0.00 0.49 0.17 0.00 0.10 0.00 0.00 34.13 34.89 3bb1 s GLU 62 CO 0.00 -0.65 0.69 1.03 0.02 0.00 0.00 175.26 176.35 3bb1 s ARG 63 N -3.99 3.35 -0.01 1.61 0.52 -1.26 -4.50 118.95 114.67 3bb1 s ARG 63 Ca 0.19 -2.07 0.11 0.00 -0.52 0.00 0.00 55.73 53.44 3bb1 s ARG 63 Cb -0.01 -4.40 -0.14 0.00 0.52 0.00 0.00 34.95 30.92 3bb1 s ARG 63 CO 0.07 -1.35 0.40 1.55 0.02 0.00 0.00 175.30 175.99 3bb1 n VAL 64 N 4.62 0.00 -4.69 3.52 3.14 -1.26 -4.94 118.33 118.72 3bb1 n VAL 64 Ca 0.03 -0.25 -0.24 0.00 -2.96 0.00 0.00 64.34 60.93 3bb1 n VAL 64 Cb 0.44 0.75 -0.15 0.00 -1.06 0.00 0.00 33.84 33.83 3bb1 n VAL 64 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3bb1 s VAL 65 N -2.29 1.34 0.40 1.55 -7.23 -1.26 -5.10 120.40 107.81 3bb1 s VAL 65 Ca 0.01 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.10 3bb1 s VAL 65 Cb 0.08 -1.14 -0.10 0.00 0.56 0.00 0.00 36.38 35.78 3bb1 s VAL 65 CO 0.46 0.28 1.00 -0.94 -0.31 0.00 0.00 175.10 175.59 3bb1 s SER 66 N -0.66 6.91 0.28 4.85 1.04 -1.26 -4.92 113.70 119.94 3bb1 s SER 66 Ca 0.06 1.89 0.10 0.00 0.48 0.00 0.00 55.95 58.48 3bb1 s SER 66 Cb -0.07 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 3bb1 s SER 66 CO 0.00 -0.38 -0.14 0.27 0.98 0.00 0.00 173.24 173.97 3bb1 s ILE 67 N -1.80 2.16 -0.14 -1.02 -4.36 -1.26 -4.91 121.20 109.87 3bb1 s ILE 67 Ca 0.58 -2.28 -0.13 0.00 -0.26 0.00 0.00 60.65 58.56 3bb1 s ILE 67 Cb -0.18 -2.36 0.04 0.00 1.25 0.00 0.00 42.46 41.21 3bb1 s ILE 67 CO 0.22 -0.37 0.36 -0.55 0.24 0.00 0.00 174.94 174.85 3bb1 s SER 68 N -3.49 -0.38 0.00 4.36 0.15 -1.26 -5.01 113.70 108.08 3bb1 s SER 68 Ca 0.29 0.73 0.27 0.00 0.70 0.00 0.00 55.95 57.94 3bb1 s SER 68 Cb -0.01 0.74 1.02 0.00 -1.71 0.00 0.00 66.02 66.06 3bb1 s SER 68 CO 0.13 -0.13 1.72 -0.81 1.20 0.00 0.00 173.24 175.36 3bb1 n PRO 69 N 2.88 1.66 0.00 5.44 -0.05 -1.26 -4.62 135.00 139.05 3bb1 n PRO 69 Ca -0.13 -0.97 0.00 0.00 -0.05 0.00 0.00 63.50 62.35 3bb1 n PRO 69 Cb 0.57 -1.47 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 3bb1 n PRO 69 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3bb1 n PHE 70 N 0.18 0.00 -4.22 0.54 3.72 -1.26 -5.13 117.46 111.28 3bb1 n PHE 70 Ca 0.19 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.46 3bb1 n PHE 70 Cb 0.35 0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 3bb1 n PHE 70 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3bb1 s GLN 71 N -1.81 1.04 -0.15 -1.08 1.11 -1.26 -5.11 119.66 112.40 3bb1 s GLN 71 Ca 0.00 -1.48 -0.25 0.00 0.01 0.00 0.00 55.36 53.63 3bb1 s GLN 71 Cb 0.00 -0.23 -0.23 0.00 -1.01 0.00 0.00 33.01 31.55 3bb1 s GLN 71 CO 0.00 -0.11 0.58 0.77 0.01 0.00 0.00 175.29 176.54 3bb1 h SER 72 N 2.76 0.00 -3.41 5.90 0.02 -2.00 -3.42 113.55 113.40 3bb1 h SER 72 Ca -0.36 -0.81 -0.57 0.00 -0.84 0.00 0.00 61.79 59.20 3bb1 h SER 72 Cb 1.20 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.91 3bb1 h SER 72 CO 0.63 1.08 -0.09 -0.62 -1.14 0.00 0.00 176.83 176.70 3bb1 n GLU 73 N -4.58 0.64 -4.09 3.45 4.71 -1.26 -4.84 120.64 114.67 3bb1 n GLU 73 Ca -0.15 0.26 -0.31 0.00 -0.01 0.00 0.00 57.16 56.96 3bb1 n GLU 73 Cb 0.50 -2.01 -0.07 0.00 -1.01 0.00 0.00 31.44 28.85 3bb1 n GLU 73 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3bb1 s GLY 74 N -1.33 1.98 -0.37 0.62 0.00 -1.26 -4.99 107.32 101.97 3bb1 s GLY 74 Ca 0.73 -1.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.17 3bb1 s GLY 74 CO 0.50 -1.00 1.73 -1.05 0.00 0.00 0.00 173.10 173.29 3bb1 n PRO 75 N 0.60 0.74 0.00 2.90 -0.02 -1.26 -4.69 135.00 133.27 3bb1 n PRO 75 Ca -0.10 -1.36 0.00 0.00 -2.02 0.00 0.00 63.50 60.02 3bb1 n PRO 75 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3bb1 n PRO 75 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bb1 n ARG 76 N 7.24 0.00 -0.69 -0.52 5.12 -1.26 -4.92 116.66 121.64 3bb1 n ARG 76 Ca 0.46 0.30 -0.30 0.00 -1.93 0.00 0.00 57.85 56.38 3bb1 n ARG 76 Cb 0.38 -1.20 0.26 0.00 -1.16 0.00 0.00 32.46 30.73 3bb1 n ARG 76 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3bb1 s PRO 77 N -1.89 -1.70 -0.05 5.56 0.04 -1.26 -5.06 135.00 130.63 3bb1 s PRO 77 Ca 0.00 0.27 -0.08 0.00 0.04 0.00 0.00 61.00 61.23 3bb1 s PRO 77 Cb 0.00 -1.51 0.02 0.00 0.04 0.00 0.00 34.50 33.05 3bb1 s PRO 77 CO 0.00 -4.10 0.19 0.14 0.04 0.00 0.00 177.00 173.27 3bb1 s VAL 78 N -2.59 0.02 -0.22 -0.36 -7.23 -1.02 -5.00 120.40 104.00 3bb1 s VAL 78 Ca 0.69 -0.20 -0.08 0.00 -1.81 0.00 0.00 61.98 60.58 3bb1 s VAL 78 Cb -0.16 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 3bb1 s VAL 78 CO 0.59 -0.11 0.07 -0.32 -0.31 0.00 0.00 175.10 175.02 3bb1 s MET 79 N -0.35 3.82 -0.25 4.82 1.75 -1.26 -1.17 119.30 126.67 3bb1 s MET 79 Ca -0.04 -0.41 -0.06 0.00 -1.25 0.00 0.00 55.69 53.92 3bb1 s MET 79 Cb -0.03 -3.29 -0.02 0.00 2.84 0.00 0.00 34.83 34.33 3bb1 s MET 79 CO 0.01 0.03 0.05 0.08 -0.65 0.00 0.00 175.02 174.53 3bb1 s VAL 80 N 1.05 4.05 -0.16 10.11 1.01 0.80 -4.92 120.40 132.35 3bb1 s VAL 80 Ca 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3bb1 s VAL 80 Cb -0.14 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3bb1 s VAL 80 CO 0.03 0.31 -0.18 -0.44 0.00 0.00 0.00 175.10 174.82 3bb1 s SER 81 N 1.57 3.38 0.01 3.32 0.01 -1.26 0.55 113.70 121.27 3bb1 s SER 81 Ca 0.06 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3bb1 s SER 81 Cb -0.15 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 3bb1 s SER 81 CO 0.02 0.06 -0.04 -0.13 0.41 0.00 0.00 173.24 173.56 3bb1 s ARG 82 N 0.95 0.32 0.01 12.44 1.81 0.78 -3.42 118.95 131.83 3bb1 s ARG 82 Ca -0.03 -0.37 -0.00 0.00 -1.72 0.00 0.00 55.73 53.61 3bb1 s ARG 82 Cb -0.15 -0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.14 3bb1 s ARG 82 CO -0.04 0.04 0.08 -1.12 -0.68 0.00 0.00 175.30 173.58 3bb1 s SER 83 N -0.72 5.69 -0.28 0.23 0.01 0.80 0.51 113.70 119.93 3bb1 s SER 83 Ca -0.05 0.14 -0.25 0.00 1.31 0.00 0.00 55.95 57.10 3bb1 s SER 83 Cb -0.05 -1.63 0.13 0.00 0.21 0.00 0.00 66.02 64.68 3bb1 s SER 83 CO -0.00 0.26 1.08 -0.60 0.41 0.00 0.00 173.24 174.39 3bb1 s ARG 84 N -1.82 0.45 -1.39 12.44 3.52 0.92 -0.40 118.95 132.68 3bb1 s ARG 84 Ca 0.24 0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 56.29 3bb1 s ARG 84 Cb -0.12 0.22 0.04 0.00 -1.56 0.00 0.00 34.95 33.53 3bb1 s ARG 84 CO 0.15 -0.05 0.52 0.00 -0.81 0.00 0.00 175.30 175.11 3bb1 n ALA 85 N 2.12 -1.02 0.00 6.12 0.00 -1.26 -1.06 120.51 125.41 3bb1 n ALA 85 Ca -0.12 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3bb1 n ALA 85 Cb 0.56 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 -1.31 3.02 3.70 0.00 0.00 -1.26 -4.98 105.19 104.36 3bb1 n GLY 86 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.40 3.48 -0.00 1.61 2.19 -0.22 -4.91 117.98 118.73 3bb1 s PHE 87 Ca 0.00 0.94 -0.11 0.00 0.33 0.00 0.00 56.93 58.09 3bb1 s PHE 87 Cb 0.00 -2.66 -0.05 0.00 -1.31 0.00 0.00 43.02 39.00 3bb1 s PHE 87 CO 0.00 0.05 0.33 0.99 1.83 0.00 0.00 175.22 178.43 3bb1 s THR 88 N 1.03 5.18 -0.06 0.12 2.01 -1.01 -0.05 115.64 122.86 3bb1 s THR 88 Ca 0.28 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.81 3bb1 s THR 88 Cb -0.16 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3bb1 s THR 88 CO 0.12 0.48 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.21 3bb1 s LEU 89 N -1.39 3.00 -0.20 4.42 2.96 0.18 -2.96 118.68 124.70 3bb1 s LEU 89 Ca 0.25 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3bb1 s LEU 89 Cb -0.15 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.94 3bb1 s LEU 89 CO 0.13 0.35 -0.15 0.20 -1.32 0.00 0.00 176.35 175.57 3bb1 s ASN 90 N -0.76 3.39 -0.12 3.68 0.01 -0.53 -0.15 114.94 120.45 3bb1 s ASN 90 Ca 0.12 -0.84 -0.00 0.00 -0.71 0.00 0.00 52.86 51.43 3bb1 s ASN 90 Cb -0.11 -1.38 -0.02 0.00 0.41 0.00 0.00 41.25 40.16 3bb1 s ASN 90 CO 0.01 -0.09 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.77 3bb1 s ILE 91 N 1.31 3.19 -0.23 0.60 1.01 0.19 -1.29 121.20 125.99 3bb1 s ILE 91 Ca 0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 3bb1 s ILE 91 Cb -0.15 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3bb1 s ILE 91 CO -0.10 0.53 0.10 -0.63 0.00 0.00 0.00 174.94 174.84 3bb1 s ILE 92 N 0.18 4.78 0.04 2.92 1.01 -0.36 -0.14 121.20 129.63 3bb1 s ILE 92 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3bb1 s ILE 92 Cb -0.15 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3bb1 s ILE 92 CO 0.05 0.37 0.08 -0.62 0.00 0.00 0.00 174.94 174.81 3bb1 s ASP 93 N 1.11 5.59 0.04 3.58 2.15 -0.31 -1.15 116.67 127.67 3bb1 s ASP 93 Ca 0.05 0.07 -0.04 0.00 0.43 0.00 0.00 52.55 53.06 3bb1 s ASP 93 Cb -0.14 -1.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.91 3bb1 s ASP 93 CO 0.04 0.22 0.05 0.42 -0.17 0.00 0.00 175.17 175.74 3bb1 s THR 94 N -1.28 0.14 0.67 1.71 -4.23 -1.25 -2.44 115.64 108.96 3bb1 s THR 94 Ca 0.26 -1.19 -0.16 0.00 -1.18 0.00 0.00 61.69 59.42 3bb1 s THR 94 Cb -0.12 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.82 3bb1 s THR 94 CO 0.18 -0.66 1.16 -2.84 -0.54 0.00 0.00 174.62 171.92 3bb1 s PRO 95 N -2.67 2.63 0.54 3.99 0.02 -1.26 -4.91 135.00 133.33 3bb1 s PRO 95 Ca -0.05 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.39 3bb1 s PRO 95 Cb -0.01 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 3bb1 s PRO 95 CO -0.05 -1.43 1.18 0.20 -0.33 0.00 0.00 177.00 176.57 3bb1 s GLY 96 N -2.15 2.72 0.29 0.52 0.00 -1.26 -4.74 107.32 102.69 3bb1 s GLY 96 Ca 0.72 0.94 0.20 0.00 0.00 0.00 0.00 44.72 46.57 3bb1 s GLY 96 CO 0.40 1.34 1.33 1.41 0.00 0.00 0.00 173.10 177.58 3bb1 h LEU 97 N 1.35 0.00 -9.76 0.66 3.38 -0.83 -3.44 115.31 106.67 3bb1 h LEU 97 Ca -0.50 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.82 3bb1 h LEU 97 Cb 1.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 3bb1 h LEU 97 CO 0.57 0.23 -0.50 -0.63 0.09 0.00 0.00 178.44 178.21 3bb1 s ILE 98 N -3.13 5.40 0.00 1.22 -1.09 -1.26 0.03 121.20 122.37 3bb1 s ILE 98 Ca 0.03 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3bb1 s ILE 98 Cb 0.07 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 3bb1 s ILE 98 CO 0.74 0.38 0.00 1.21 -1.23 0.00 0.00 174.94 176.04 3bb1 n GLU 99 N 1.14 3.41 0.00 2.79 2.13 -0.25 -4.38 120.64 125.48 3bb1 n GLU 99 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3bb1 n GLU 99 Cb 0.53 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.83 3bb1 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3bb1 n GLY 100 N 0.43 2.38 2.87 8.31 0.00 -1.26 -4.91 105.19 113.01 3bb1 n GLY 100 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 3.31 3.46 -0.02 0.00 -1.26 -5.03 105.19 105.65 3bb1 n GLY 101 Ca 0.00 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 4.07 2.27 0.85 1.61 1.51 -1.26 -4.92 117.35 121.48 3bb1 s TYR 102 Ca 0.53 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 56.13 3bb1 s TYR 102 Cb 0.14 -0.98 0.11 0.00 -0.11 0.00 0.00 41.96 41.12 3bb1 s TYR 102 CO 0.02 0.70 1.18 -0.89 -1.11 0.00 0.00 175.55 175.46 3bb1 n ILE 103 N -0.61 1.23 -3.27 2.71 2.08 -1.26 -1.09 119.36 119.15 3bb1 n ILE 103 Ca -0.05 -0.12 -0.46 0.00 0.56 0.00 0.00 62.75 62.67 3bb1 n ILE 103 Cb 0.60 -1.12 -0.02 0.00 -0.75 0.00 0.00 39.64 38.35 3bb1 n ILE 103 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3bb1 s ASN 104 N -2.33 6.69 0.09 4.38 3.84 0.10 -4.66 114.94 123.06 3bb1 s ASN 104 Ca 0.71 -2.50 -0.22 0.00 0.21 0.00 0.00 52.86 51.05 3bb1 s ASN 104 Cb -0.27 -2.24 -0.13 0.00 -0.55 0.00 0.00 41.25 38.06 3bb1 s ASN 104 CO 0.54 -0.67 1.71 0.44 -2.79 0.00 0.00 177.10 176.33 3bb1 h ASP 105 N 8.04 0.06 -0.77 -4.21 3.32 -1.93 0.24 116.42 121.18 3bb1 h ASP 105 Ca 0.07 -0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.16 3bb1 h ASP 105 Cb 1.04 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 3bb1 h ASP 105 CO 0.83 0.09 -0.42 0.80 -1.72 0.00 0.00 179.24 178.82 3bb1 n MET 106 N -5.03 -0.30 0.23 3.56 0.00 -1.26 0.88 117.12 115.20 3bb1 n MET 106 Ca -0.06 1.16 -0.15 0.00 -0.00 0.00 0.00 57.70 58.65 3bb1 n MET 106 Cb 0.05 -1.71 -0.08 0.00 0.00 0.00 0.00 33.22 31.47 3bb1 n MET 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3bb1 h ALA 107 N 0.55 -0.56 -0.99 -5.12 0.00 -1.61 -0.73 119.26 110.79 3bb1 h ALA 107 Ca 0.16 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.15 3bb1 h ALA 107 Cb 0.35 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 3bb1 h ALA 107 CO -0.73 -0.76 0.64 1.25 0.00 0.00 0.00 179.25 179.65 3bb1 h LEU 108 N -0.67 0.48 -0.04 0.00 5.85 0.74 -0.49 115.31 121.18 3bb1 h LEU 108 Ca -0.06 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3bb1 h LEU 108 Cb 0.49 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3bb1 h LEU 108 CO 0.09 0.14 -0.30 0.78 -0.34 0.00 0.00 178.44 178.81 3bb1 h ASN 109 N 0.44 0.33 -0.92 1.25 2.35 0.89 -1.18 115.58 118.75 3bb1 h ASN 109 Ca 0.55 -0.70 0.19 0.00 -0.55 0.00 0.00 56.30 55.80 3bb1 h ASN 109 Cb 1.32 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.52 3bb1 h ASN 109 CO -0.27 0.98 0.60 0.40 -1.65 0.00 0.00 177.43 177.49 3bb1 h ILE 110 N -0.29 0.70 0.16 2.81 2.04 -0.55 -1.33 117.51 121.05 3bb1 h ILE 110 Ca -0.03 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3bb1 h ILE 110 Cb 0.99 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3bb1 h ILE 110 CO 0.06 0.09 -0.08 0.40 0.00 0.00 0.00 178.15 178.63 3bb1 h ILE 111 N 0.50 0.96 -0.18 -0.67 2.04 -0.84 -1.37 117.51 117.96 3bb1 h ILE 111 Ca 0.49 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.44 3bb1 h ILE 111 Cb 1.07 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 3bb1 h ILE 111 CO -0.22 0.21 -0.24 0.11 0.00 0.00 0.00 178.15 178.01 3bb1 h LYS 112 N -0.71 -0.27 -0.76 2.37 1.57 -0.89 -0.37 116.57 117.51 3bb1 h LYS 112 Ca -0.02 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3bb1 h LYS 112 Cb 0.51 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 3bb1 h LYS 112 CO 0.04 -0.18 0.32 1.03 -0.57 0.00 0.00 179.45 180.09 3bb1 h SER 113 N -0.28 0.33 -0.54 0.86 0.87 -1.32 -0.32 113.55 113.16 3bb1 h SER 113 Ca 0.12 0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3bb1 h SER 113 Cb 0.45 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 3bb1 h SER 113 CO -0.34 0.14 0.11 0.15 -0.53 0.00 0.00 176.83 176.36 3bb1 h PHE 114 N 0.48 0.96 0.00 2.24 3.04 -0.31 -2.82 116.94 120.54 3bb1 h PHE 114 Ca 0.41 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.25 3bb1 h PHE 114 Cb 0.60 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.83 3bb1 h PHE 114 CO -0.15 0.82 0.00 1.28 -2.02 0.00 0.00 178.31 178.24 3bb1 n LEU 115 N -4.24 0.00 -4.69 0.59 7.99 -0.15 -4.87 117.00 111.62 3bb1 n LEU 115 Ca 0.04 0.11 -0.44 0.00 -0.01 0.00 0.00 56.01 55.71 3bb1 n LEU 115 Cb 0.26 -0.11 -0.04 0.00 -0.11 0.00 0.00 43.42 43.42 3bb1 n LEU 115 CO 0.41 -0.05 1.31 -0.11 -1.51 0.00 0.00 177.39 177.44 3bb1 n LEU 116 N -1.11 3.60 0.00 2.23 7.94 -1.06 -1.72 117.00 126.88 3bb1 n LEU 116 Ca 0.11 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3bb1 n LEU 116 Cb 0.09 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.54 3bb1 n LEU 116 CO 0.11 -0.03 0.00 0.47 -1.11 0.00 0.00 177.39 176.83 3bb1 n ASP 117 N 4.04 -0.13 -4.96 1.96 8.00 0.43 -5.00 116.55 120.89 3bb1 n ASP 117 Ca 0.17 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.44 3bb1 n ASP 117 Cb 0.32 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.16 3.34 -0.32 -1.24 1.02 -0.70 -4.88 119.74 116.81 3bb1 s LYS 118 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.50 3bb1 s LYS 118 Cb 0.00 -2.70 0.09 0.00 -0.52 0.00 0.00 37.83 34.70 3bb1 s LYS 118 CO 0.00 0.10 0.02 0.99 -0.92 0.00 0.00 175.35 175.53 3bb1 s THR 119 N -2.29 2.11 -0.41 2.17 2.01 -1.26 -1.22 115.64 116.74 3bb1 s THR 119 Ca 0.41 -2.07 -0.28 0.00 0.31 0.00 0.00 61.69 60.06 3bb1 s THR 119 Cb -0.10 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3bb1 s THR 119 CO 0.35 -0.46 1.77 -0.63 -0.69 0.00 0.00 174.62 174.95 3bb1 s ILE 120 N 1.02 3.50 -0.07 1.82 1.01 0.06 -4.38 121.20 124.15 3bb1 s ILE 120 Ca 0.06 0.46 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 3bb1 s ILE 120 Cb -0.19 -3.78 -0.29 0.00 0.01 0.00 0.00 42.46 38.21 3bb1 s ILE 120 CO -0.09 -0.58 0.56 0.44 0.00 0.00 0.00 174.94 175.27 3bb1 h ASP 121 N 13.18 0.55 -3.52 3.58 3.32 -1.38 -2.82 116.42 129.32 3bb1 h ASP 121 Ca -0.31 -0.94 -0.40 0.00 0.02 0.00 0.00 57.03 55.40 3bb1 h ASP 121 Cb 1.16 -0.18 -0.33 0.00 0.22 0.00 0.00 39.33 40.20 3bb1 h ASP 121 CO 1.09 1.82 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.96 3bb1 s VAL 122 N -2.57 0.53 -0.19 -1.35 1.01 -0.51 -4.81 120.40 112.50 3bb1 s VAL 122 Ca -0.18 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3bb1 s VAL 122 Cb 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3bb1 s VAL 122 CO 0.82 0.21 0.50 -0.22 0.00 0.00 0.00 175.10 176.42 3bb1 s LEU 123 N 0.76 4.16 -0.40 3.92 2.96 0.13 0.40 118.68 130.61 3bb1 s LEU 123 Ca -0.10 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3bb1 s LEU 123 Cb -0.13 -2.69 0.07 0.00 0.50 0.00 0.00 46.19 43.94 3bb1 s LEU 123 CO 0.00 -0.15 0.23 -0.22 -1.32 0.00 0.00 176.35 174.89 3bb1 s LEU 124 N 1.50 4.99 -0.48 -0.68 2.96 0.98 -0.01 118.68 127.93 3bb1 s LEU 124 Ca 0.24 -1.45 -0.22 0.00 -0.22 0.00 0.00 54.13 52.48 3bb1 s LEU 124 Cb -0.15 -1.96 0.04 0.00 0.50 0.00 0.00 46.19 44.62 3bb1 s LEU 124 CO 0.10 -0.49 0.75 -0.47 -1.32 0.00 0.00 176.35 174.92 3bb1 s TYR 125 N 1.41 2.97 -0.13 5.38 5.04 0.10 -1.22 117.35 130.90 3bb1 s TYR 125 Ca 0.02 -0.09 -0.11 0.00 -2.44 0.00 0.00 57.07 54.45 3bb1 s TYR 125 Cb -0.22 -3.66 -0.05 0.00 0.35 0.00 0.00 41.96 38.38 3bb1 s TYR 125 CO 0.02 -1.06 0.22 0.08 -1.34 0.00 0.00 175.55 173.47 3bb1 s VAL 126 N 3.19 5.36 0.13 3.14 1.01 0.00 -0.63 120.40 132.60 3bb1 s VAL 126 Ca 0.25 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.64 3bb1 s VAL 126 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3bb1 s VAL 126 CO 0.18 0.51 0.13 -0.67 0.00 0.00 0.00 175.10 175.26 3bb1 n ASP 127 N 2.77 -0.35 -4.65 3.32 -0.08 -0.40 -4.39 116.55 112.77 3bb1 n ASP 127 Ca -0.16 -1.83 -0.35 0.00 -1.51 0.00 0.00 54.79 50.94 3bb1 n ASP 127 Cb 0.53 0.76 -0.10 0.00 2.34 0.00 0.00 41.12 44.65 3bb1 n ASP 127 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3bb1 s ARG 128 N -2.47 3.73 0.20 -0.67 0.52 -1.26 0.08 118.95 119.09 3bb1 s ARG 128 Ca 0.15 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.90 3bb1 s ARG 128 Cb 0.00 -3.11 0.14 0.00 0.52 0.00 0.00 34.95 32.51 3bb1 s ARG 128 CO 0.10 0.39 1.80 1.25 0.02 0.00 0.00 175.30 178.86 3bb1 h LEU 129 N 6.29 0.95 -3.21 2.53 5.85 -1.45 -3.30 115.31 122.96 3bb1 h LEU 129 Ca -0.40 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 3bb1 h LEU 129 Cb 1.18 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3bb1 h LEU 129 CO 0.66 0.80 0.03 -0.90 -0.34 0.00 0.00 178.44 178.69 3bb1 n ASP 130 N -4.43 5.54 -4.39 1.25 5.75 -1.26 -4.81 116.55 114.20 3bb1 n ASP 130 Ca 0.06 -2.54 -0.24 0.00 -0.01 0.00 0.00 54.79 52.06 3bb1 n ASP 130 Cb 0.11 -1.15 -0.11 0.00 -1.03 0.00 0.00 41.12 38.94 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 -0.22 2.32 -1.01 2.12 0.00 -1.24 -5.06 121.76 118.67 3bb1 s ALA 131 Ca 0.13 -1.60 0.10 0.00 0.00 0.00 0.00 51.96 50.59 3bb1 s ALA 131 Cb 0.08 -0.26 0.24 0.00 0.00 0.00 0.00 23.12 23.18 3bb1 s ALA 131 CO -0.01 0.32 1.13 0.66 0.00 0.00 0.00 175.76 177.87 3bb1 n TYR 132 N 0.17 0.32 -4.06 0.00 4.01 -1.26 -5.02 117.16 111.32 3bb1 n TYR 132 Ca -0.12 -0.36 -0.10 0.00 -0.16 0.00 0.00 57.90 57.16 3bb1 n TYR 132 Cb 0.57 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 3bb1 n TYR 132 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bb1 s ARG 133 N -0.97 1.14 -0.11 -0.72 1.81 -1.26 -5.16 118.95 113.68 3bb1 s ARG 133 Ca 0.20 -1.34 -0.09 0.00 -1.72 0.00 0.00 55.73 52.77 3bb1 s ARG 133 Cb 0.11 0.33 0.03 0.00 -0.45 0.00 0.00 34.95 34.97 3bb1 s ARG 133 CO 0.15 -0.39 0.30 0.08 -0.68 0.00 0.00 175.30 174.75 3bb1 s VAL 134 N -4.03 -0.01 0.00 3.52 1.01 -1.26 -5.04 120.40 114.59 3bb1 s VAL 134 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3bb1 s VAL 134 Cb 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3bb1 s VAL 134 CO 0.04 0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.25 3bb1 n ASP 135 N 3.21 0.00 -0.28 3.32 5.68 -1.26 -5.03 116.55 122.19 3bb1 n ASP 135 Ca -0.15 -0.89 0.12 0.00 -0.50 0.00 0.00 54.79 53.37 3bb1 n ASP 135 Cb 0.57 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.92 3bb1 n ASP 135 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3bb1 h ASN 136 N 0.00 0.67 -0.90 -1.12 -1.24 -2.00 -0.94 115.58 110.04 3bb1 h ASN 136 Ca 0.00 0.05 0.05 0.00 0.71 0.00 0.00 56.30 57.11 3bb1 h ASN 136 Cb 0.00 -0.08 -0.06 0.00 0.73 0.00 0.00 38.32 38.91 3bb1 h ASN 136 CO 0.00 0.32 0.57 -0.07 -1.29 0.00 0.00 177.43 176.97 3bb1 h LEU 137 N 0.70 0.92 -0.46 0.34 3.38 -1.96 0.45 115.31 118.69 3bb1 h LEU 137 Ca 0.47 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 3bb1 h LEU 137 Cb 0.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3bb1 h LEU 137 CO -0.23 0.61 0.04 0.44 0.09 0.00 0.00 178.44 179.39 3bb1 h ASP 138 N 1.07 0.76 -0.26 -0.43 3.32 -1.60 -2.23 116.42 117.04 3bb1 h ASP 138 Ca 0.38 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3bb1 h ASP 138 Cb 0.12 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3bb1 h ASP 138 CO -0.16 0.85 -0.00 0.50 -1.72 0.00 0.00 179.24 178.71 3bb1 h LYS 139 N 0.64 0.07 0.00 3.56 3.64 -0.54 -2.26 116.57 121.68 3bb1 h LYS 139 Ca 0.13 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3bb1 h LYS 139 Cb 0.44 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3bb1 h LYS 139 CO 0.02 0.05 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.13 3bb1 h LEU 140 N 0.08 0.00 -0.19 5.20 3.38 0.02 -1.44 115.31 122.36 3bb1 h LEU 140 Ca 0.12 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 3bb1 h LEU 140 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3bb1 h LEU 140 CO -0.21 0.04 -0.77 0.58 0.09 0.00 0.00 178.44 178.17 3bb1 h VAL 141 N 0.00 1.29 -0.50 1.22 2.07 -0.85 -1.86 116.25 117.61 3bb1 h VAL 141 Ca -0.00 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 3bb1 h VAL 141 Cb 0.08 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3bb1 h VAL 141 CO 0.01 0.63 0.13 0.00 0.02 0.00 0.00 177.57 178.35 3bb1 h ALA 142 N 0.60 1.28 -0.02 1.67 0.00 -0.95 0.42 119.26 122.27 3bb1 h ALA 142 Ca -0.05 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3bb1 h ALA 142 Cb 1.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3bb1 h ALA 142 CO 0.16 0.50 -0.78 -0.22 0.00 0.00 0.00 179.25 178.92 3bb1 h LYS 143 N 0.73 0.20 0.14 0.00 3.64 -1.09 0.14 116.57 120.33 3bb1 h LYS 143 Ca 0.17 -0.18 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 3bb1 h LYS 143 Cb 0.26 0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3bb1 h LYS 143 CO -0.00 0.88 -1.19 0.00 -2.27 0.00 0.00 179.45 176.86 3bb1 h ALA 144 N 1.07 -0.05 -0.20 5.00 0.00 -1.09 -1.65 119.26 122.34 3bb1 h ALA 144 Ca -0.03 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.13 3bb1 h ALA 144 Cb 1.36 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3bb1 h ALA 144 CO 0.12 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.91 3bb1 h ILE 145 N 0.13 1.01 0.21 0.00 2.04 -0.78 -0.29 117.51 119.83 3bb1 h ILE 145 Ca -0.19 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3bb1 h ILE 145 Cb 1.89 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3bb1 h ILE 145 CO 0.23 0.04 -0.10 0.00 0.00 0.00 0.00 178.15 178.32 3bb1 h THR 146 N 0.23 0.88 -1.16 -0.27 1.03 -1.01 -1.07 112.91 111.54 3bb1 h THR 146 Ca 0.08 -0.48 0.33 0.00 -0.01 0.00 0.00 66.41 66.33 3bb1 h THR 146 Cb 0.00 1.16 -0.08 0.00 -1.07 0.00 0.00 68.15 68.16 3bb1 h THR 146 CO -0.04 0.11 0.79 0.44 -0.01 0.00 0.00 175.52 176.80 3bb1 h ASP 147 N -0.52 0.22 0.17 0.00 3.32 -1.28 0.31 116.42 118.64 3bb1 h ASP 147 Ca -0.03 0.05 -0.31 0.00 0.02 0.00 0.00 57.03 56.76 3bb1 h ASP 147 Cb 0.39 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.97 3bb1 h ASP 147 CO 0.05 0.02 -1.55 0.28 -1.72 0.00 0.00 179.24 176.31 3bb1 h SER 148 N 0.18 0.55 0.00 6.45 0.02 -0.61 -3.41 113.55 116.74 3bb1 h SER 148 Ca 0.62 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3bb1 h SER 148 Cb 2.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3bb1 h SER 148 CO -0.18 1.70 0.00 0.49 -1.14 0.00 0.00 176.83 177.70 3bb1 n PHE 149 N -3.76 0.00 0.00 3.45 3.72 -0.44 -4.67 117.46 115.76 3bb1 n PHE 149 Ca -0.23 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 3bb1 n PHE 149 Cb 1.00 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 -0.41 -2.23 0.18 1.37 0.00 0.11 -4.32 105.19 99.88 3bb1 n GLY 150 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.73 3bb1 n GLY 150 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bb1 h LYS 151 N 0.00 0.00 -0.22 1.61 3.64 -1.87 -2.61 116.57 117.11 3bb1 h LYS 151 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3bb1 h LYS 151 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3bb1 h LYS 151 CO 0.00 0.00 -0.02 0.78 -2.27 0.00 0.00 179.45 177.94 3bb1 h GLY 152 N 0.00 0.35 0.96 5.01 0.00 -1.94 -3.14 103.07 104.31 3bb1 h GLY 152 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.20 3bb1 h GLY 152 CO 0.00 0.18 0.54 1.19 0.00 0.00 0.00 176.54 178.44 3bb1 h ILE 153 N 0.32 1.06 0.00 2.60 2.10 -1.65 -1.10 117.51 120.83 3bb1 h ILE 153 Ca 0.07 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.70 3bb1 h ILE 153 Cb 0.25 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.04 3bb1 h ILE 153 CO 0.01 0.17 0.00 -0.50 -1.08 0.00 0.00 178.15 176.74 3bb1 h TRP 154 N 0.92 0.00 0.00 2.19 4.06 -1.79 0.96 115.95 122.29 3bb1 h TRP 154 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 3bb1 h TRP 154 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3bb1 h TRP 154 CO -0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 3bb1 n ASN 155 N -2.82 0.00 -0.16 -3.49 3.02 -0.42 -3.24 115.26 108.15 3bb1 n ASN 155 Ca -0.02 0.37 0.10 0.00 -0.03 0.00 0.00 54.58 54.99 3bb1 n ASN 155 Cb 0.09 -0.45 0.15 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.46 -3.94 3.52 4.76 0.33 -4.87 118.16 117.97 3bb1 n LYS 156 Ca 0.07 -2.62 -0.37 0.00 -2.87 0.00 0.00 58.31 52.53 3bb1 n LYS 156 Cb 0.25 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.88 3.81 -0.10 7.82 0.00 -1.12 0.17 121.76 129.46 3bb1 s ALA 157 Ca 0.33 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.67 3bb1 s ALA 157 Cb 0.29 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3bb1 s ALA 157 CO 0.04 0.62 -0.22 0.42 0.00 0.00 0.00 175.76 176.61 3bb1 s ILE 158 N -1.02 1.95 -0.09 0.00 1.01 0.98 -4.33 121.20 119.71 3bb1 s ILE 158 Ca 0.15 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 3bb1 s ILE 158 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3bb1 s ILE 158 CO 0.04 0.53 0.64 -0.69 0.00 0.00 0.00 174.94 175.47 3bb1 s VAL 159 N 0.42 5.08 -0.11 2.92 1.01 -0.64 0.03 120.40 129.11 3bb1 s VAL 159 Ca -0.17 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.12 3bb1 s VAL 159 Cb -0.18 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3bb1 s VAL 159 CO 0.07 0.26 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 3bb1 s ALA 160 N 0.81 1.56 -0.33 5.51 0.00 0.20 -0.09 121.76 129.41 3bb1 s ALA 160 Ca 0.34 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 3bb1 s ALA 160 Cb -0.17 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.12 3bb1 s ALA 160 CO 0.16 -0.21 0.12 -0.51 0.00 0.00 0.00 175.76 175.31 3bb1 s LEU 161 N 1.25 4.27 0.00 0.00 1.43 -0.20 -1.27 118.68 124.16 3bb1 s LEU 161 Ca -0.02 -1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 3bb1 s LEU 161 Cb -0.14 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.29 3bb1 s LEU 161 CO -0.05 -0.30 0.63 0.35 0.23 0.00 0.00 176.35 177.21 3bb1 n THR 162 N 4.86 0.00 -3.99 5.49 -2.24 0.11 -1.32 114.28 117.19 3bb1 n THR 162 Ca -0.13 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 3bb1 n THR 162 Cb 0.46 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 -2.96 -1.99 0.55 4.78 8.25 -0.97 -1.44 115.22 121.44 3bb1 n HIS 163 Ca 0.08 0.84 0.13 0.00 -0.26 0.00 0.00 57.72 58.51 3bb1 n HIS 163 Cb 0.28 -3.69 0.44 0.00 1.12 0.00 0.00 29.99 28.14 3bb1 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb1 n ALA 164 N -4.50 2.06 -2.11 -1.41 0.00 0.05 -4.15 120.51 110.44 3bb1 n ALA 164 Ca -0.05 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 3bb1 n ALA 164 Cb 0.56 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3bb1 n ALA 164 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3bb1 n GLN 165 N -2.25 3.08 -3.81 0.00 -0.06 -1.26 -4.64 117.38 108.44 3bb1 n GLN 165 Ca 0.04 -2.98 -0.13 0.00 -2.00 0.00 0.00 57.00 51.93 3bb1 n GLN 165 Cb 0.36 -3.28 -0.14 0.00 -4.06 0.00 0.00 30.24 23.12 3bb1 n GLN 165 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 3bb1 s PHE 166 N 2.99 -0.12 -0.35 3.69 5.36 -1.26 -5.10 117.98 123.20 3bb1 s PHE 166 Ca 0.48 0.32 -0.13 0.00 -0.96 0.00 0.00 56.93 56.64 3bb1 s PHE 166 Cb 0.10 -0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 3bb1 s PHE 166 CO -0.03 -0.09 0.24 -1.54 -1.46 0.00 0.00 175.22 172.34 3bb1 s SER 167 N 0.45 6.01 0.34 6.13 1.04 -1.26 -4.97 113.70 121.44 3bb1 s SER 167 Ca -0.03 -0.51 -0.26 0.00 0.48 0.00 0.00 55.95 55.63 3bb1 s SER 167 Cb -0.05 -2.13 -0.13 0.00 0.10 0.00 0.00 66.02 63.82 3bb1 s SER 167 CO -0.02 -0.26 0.95 -2.65 0.98 0.00 0.00 173.24 172.24 3bb1 n PRO 168 N 5.10 1.24 0.11 4.02 -0.02 -1.26 -4.92 135.00 139.27 3bb1 n PRO 168 Ca -0.13 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 3bb1 n PRO 168 Cb 0.49 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 3bb1 n PRO 168 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3bb1 h PRO 169 N 1.70 -0.41 -0.78 0.52 0.11 -1.97 -3.34 132.00 127.83 3bb1 h PRO 169 Ca -0.41 0.03 -0.34 0.00 0.11 0.00 0.00 66.00 65.39 3bb1 h PRO 169 Cb 1.35 0.09 -0.20 0.00 0.11 0.00 0.00 31.00 32.35 3bb1 h PRO 169 CO 0.58 -0.27 0.38 -3.47 -0.21 0.00 0.00 178.00 175.01 3bb1 n ASP 170 N -5.36 3.93 -4.33 -2.05 -0.08 -1.26 -4.37 116.55 103.03 3bb1 n ASP 170 Ca -0.06 -3.48 -0.47 0.00 -1.51 0.00 0.00 54.79 49.27 3bb1 n ASP 170 Cb 0.27 -0.76 -0.02 0.00 2.34 0.00 0.00 41.12 42.94 3bb1 n ASP 170 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3bb1 s GLY 171 N -1.44 2.63 0.33 0.27 0.00 -1.26 -5.10 107.32 102.75 3bb1 s GLY 171 Ca 0.54 -3.27 -0.16 0.00 0.00 0.00 0.00 44.72 41.83 3bb1 s GLY 171 CO 0.10 1.25 0.77 1.08 0.00 0.00 0.00 173.10 176.30 3bb1 s LEU 172 N 0.26 4.06 0.11 0.66 1.43 -1.25 -5.01 118.68 118.94 3bb1 s LEU 172 Ca 0.17 1.35 -0.34 0.00 -1.03 0.00 0.00 54.13 54.27 3bb1 s LEU 172 Cb -0.12 -4.12 -0.14 0.00 0.03 0.00 0.00 46.19 41.85 3bb1 s LEU 172 CO -0.08 -0.21 1.59 -2.65 0.23 0.00 0.00 176.35 175.23 3bb1 n PRO 173 N -0.34 2.01 -0.32 1.29 -0.02 -1.26 -4.45 135.00 131.91 3bb1 n PRO 173 Ca 0.04 0.73 0.16 0.00 -2.02 0.00 0.00 63.50 62.41 3bb1 n PRO 173 Cb 0.53 -2.49 0.41 0.00 -0.02 0.00 0.00 33.50 31.93 3bb1 n PRO 173 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3bb1 h TYR 174 N 6.21 0.86 -0.32 6.00 3.20 -1.94 0.97 116.97 131.94 3bb1 h TYR 174 Ca -0.46 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 3bb1 h TYR 174 Cb 1.27 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3bb1 h TYR 174 CO 0.66 0.18 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.83 3bb1 h ASP 175 N 0.60 0.51 0.36 -2.11 3.32 -1.99 -1.60 116.42 115.52 3bb1 h ASP 175 Ca 0.55 -0.12 -0.29 0.00 0.02 0.00 0.00 57.03 57.19 3bb1 h ASP 175 Cb 1.08 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.52 3bb1 h ASP 175 CO -0.31 0.64 -1.26 -0.08 -1.72 0.00 0.00 179.24 176.51 3bb1 h GLU 176 N 0.49 0.46 -0.13 3.56 4.81 -1.23 -1.97 114.58 120.58 3bb1 h GLU 176 Ca 0.09 -0.68 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 3bb1 h GLU 176 Cb 0.46 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3bb1 h GLU 176 CO 0.02 1.30 -0.01 0.35 -0.73 0.00 0.00 179.01 179.94 3bb1 h PHE 177 N 0.17 0.27 -0.83 0.92 3.04 -1.19 -2.23 116.94 117.09 3bb1 h PHE 177 Ca -0.17 -0.05 0.11 0.00 3.98 0.00 0.00 57.97 61.83 3bb1 h PHE 177 Cb 1.95 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 40.33 3bb1 h PHE 177 CO 0.09 0.50 0.54 0.35 -2.02 0.00 0.00 178.31 177.77 3bb1 h PHE 178 N -0.04 0.81 0.20 0.41 3.57 -1.40 -2.50 116.94 117.98 3bb1 h PHE 178 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3bb1 h PHE 178 Cb 0.40 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3bb1 h PHE 178 CO 0.04 0.36 -0.10 1.03 -2.23 0.00 0.00 178.31 177.42 3bb1 h SER 179 N 0.74 -0.23 0.80 0.41 0.87 -1.03 -1.83 113.55 113.28 3bb1 h SER 179 Ca 0.39 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3bb1 h SER 179 Cb 0.51 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3bb1 h SER 179 CO -0.16 0.15 -0.51 0.50 -0.53 0.00 0.00 176.83 176.28 3bb1 h LYS 180 N -0.63 0.00 -0.09 2.24 3.64 -1.36 -2.30 116.57 118.06 3bb1 h LYS 180 Ca -0.03 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 3bb1 h LYS 180 Cb 0.46 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3bb1 h LYS 180 CO 0.05 0.51 -0.46 -0.09 -2.27 0.00 0.00 179.45 177.18 3bb1 h ARG 181 N 0.00 0.48 -0.61 1.90 2.43 -1.50 -1.14 114.38 115.94 3bb1 h ARG 181 Ca -0.01 -0.39 0.12 0.00 -0.81 0.00 0.00 59.98 58.90 3bb1 h ARG 181 Cb 1.04 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.55 3bb1 h ARG 181 CO 0.07 1.02 -0.21 0.77 -1.51 0.00 0.00 179.97 180.11 3bb1 h SER 182 N 0.05 -0.75 -0.18 -3.80 0.02 -1.01 0.14 113.55 108.02 3bb1 h SER 182 Ca -0.03 0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3bb1 h SER 182 Cb 1.11 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3bb1 h SER 182 CO 0.10 -0.24 -0.31 -0.33 -1.14 0.00 0.00 176.83 174.90 3bb1 h GLU 183 N -0.06 0.52 -1.00 3.45 4.39 -1.42 0.33 114.58 120.80 3bb1 h GLU 183 Ca 0.28 -0.33 0.15 0.00 0.34 0.00 0.00 59.36 59.80 3bb1 h GLU 183 Cb 0.49 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 3bb1 h GLU 183 CO -0.65 0.93 0.61 0.00 -1.16 0.00 0.00 179.01 178.74 3bb1 h ALA 184 N 0.59 1.57 0.22 3.43 0.00 -0.97 0.14 119.26 124.23 3bb1 h ALA 184 Ca 0.01 0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 3bb1 h ALA 184 Cb 0.90 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.57 3bb1 h ALA 184 CO 0.07 0.10 -1.41 1.25 0.00 0.00 0.00 179.25 179.26 3bb1 h LEU 185 N 0.88 0.71 -0.96 0.00 5.85 -0.40 -3.10 115.31 118.30 3bb1 h LEU 185 Ca 0.53 -0.77 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3bb1 h LEU 185 Cb 0.67 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3bb1 h LEU 185 CO -0.32 1.60 0.21 -0.07 -0.34 0.00 0.00 178.44 179.52 3bb1 h LEU 186 N 0.12 0.89 -0.48 2.25 3.38 0.16 -2.36 115.31 119.28 3bb1 h LEU 186 Ca -0.22 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.67 3bb1 h LEU 186 Cb 2.11 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 3bb1 h LEU 186 CO 0.25 0.83 0.17 1.56 0.09 0.00 0.00 178.44 181.34 3bb1 h GLN 187 N 0.93 0.33 0.05 1.13 1.08 -1.01 -0.14 115.11 117.48 3bb1 h GLN 187 Ca 0.21 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 57.16 3bb1 h GLN 187 Cb 0.25 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3bb1 h GLN 187 CO -0.01 0.22 -1.06 -0.24 -0.95 0.00 0.00 178.83 176.79 3bb1 h VAL 188 N 0.34 1.55 -0.14 -0.54 3.04 -1.44 -0.84 116.25 118.22 3bb1 h VAL 188 Ca 0.23 -3.01 -0.15 0.00 -1.01 0.00 0.00 66.70 62.76 3bb1 h VAL 188 Cb 0.24 2.77 0.01 0.00 -2.01 0.00 0.00 31.29 32.29 3bb1 h VAL 188 CO -0.23 0.87 -0.49 -0.37 -1.01 0.00 0.00 177.57 176.34 3bb1 h VAL 189 N 0.07 1.34 -0.87 1.51 -1.51 -1.34 -2.08 116.25 113.37 3bb1 h VAL 189 Ca -0.07 -1.77 0.02 0.00 -1.23 0.00 0.00 66.70 63.65 3bb1 h VAL 189 Cb 1.77 2.06 -0.05 0.00 -2.13 0.00 0.00 31.29 32.94 3bb1 h VAL 189 CO 0.16 0.54 0.57 0.03 -1.23 0.00 0.00 177.57 177.64 3bb1 h ARG 190 N 0.22 1.11 0.56 5.19 3.08 -0.92 -1.84 114.38 121.78 3bb1 h ARG 190 Ca -0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3bb1 h ARG 190 Cb 1.12 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3bb1 h ARG 190 CO 0.10 0.73 -0.36 1.03 -1.07 0.00 0.00 179.97 180.41 3bb1 h SER 191 N 1.14 -0.91 0.18 7.04 0.87 -1.16 -0.84 113.55 119.87 3bb1 h SER 191 Ca 0.33 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3bb1 h SER 191 Cb -0.08 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3bb1 h SER 191 CO -0.09 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 176.27 3bb1 n GLY 192 N -1.49 -0.62 0.12 5.77 0.00 -0.78 -4.51 105.19 103.67 3bb1 n GLY 192 Ca -0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3bb1 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bb1 n ALA 193 N -1.39 1.24 -3.89 4.61 0.00 -0.71 -2.76 120.51 117.62 3bb1 n ALA 193 Ca 0.02 -0.83 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 3bb1 n ALA 193 Cb 0.07 -0.55 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 3bb1 n ALA 193 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bb1 s SER 194 N -6.47 3.75 0.00 0.00 0.15 -1.26 -4.34 113.70 105.53 3bb1 s SER 194 Ca -0.18 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.25 3bb1 s SER 194 Cb 0.07 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 3bb1 s SER 194 CO 0.76 -0.27 0.00 0.18 1.20 0.00 0.00 173.24 175.11 3bb1 n LEU 195 N 4.73 0.00 -1.45 3.45 4.77 -0.37 -5.03 117.00 123.10 3bb1 n LEU 195 Ca -0.10 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 3bb1 n LEU 195 Cb 0.44 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3bb1 n LEU 195 CO 0.17 0.00 0.11 2.29 -1.33 0.00 0.00 177.39 178.62 3bb1 n LYS 196 N 0.00 0.04 0.00 3.23 -0.00 -1.26 -4.81 118.16 115.35 3bb1 n LYS 196 Ca 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 58.31 56.45 3bb1 n LYS 196 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 35.03 35.08 3bb1 n LYS 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3bb1 n LYS 197 N 0.39 0.00 0.00 -1.58 4.76 -1.26 -5.18 118.16 115.29 3bb1 n LYS 197 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3bb1 n LYS 197 Cb 1.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.26 3bb1 n LYS 197 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3bb1 n ASP 203 N 0.00 0.00 -4.57 4.39 8.00 -1.26 -5.27 116.55 117.83 3bb1 n ASP 203 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 3bb1 n ASP 203 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3bb1 n ASP 203 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3bb1 n ILE 204 N 0.00 0.31 -2.04 0.53 5.41 -1.26 -4.85 119.36 117.46 3bb1 n ILE 204 Ca 0.00 -0.44 -0.41 0.00 1.00 0.00 0.00 62.75 62.90 3bb1 n ILE 204 Cb 0.00 -2.44 -0.01 0.00 -0.71 0.00 0.00 39.64 36.48 3bb1 n ILE 204 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3bb1 s PRO 205 N 6.41 4.24 -0.17 0.38 0.02 -1.26 -4.81 135.00 139.81 3bb1 s PRO 205 Ca 1.02 2.28 0.00 0.00 0.02 0.00 0.00 61.00 64.33 3bb1 s PRO 205 Cb -0.41 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3bb1 s PRO 205 CO 0.37 -0.31 -0.16 0.54 -0.33 0.00 0.00 177.00 177.11 3bb1 s VAL 206 N -1.16 2.53 0.27 3.83 0.11 -1.26 -1.62 120.40 123.11 3bb1 s VAL 206 Ca 0.51 -0.81 0.10 0.00 -2.93 0.00 0.00 61.98 58.86 3bb1 s VAL 206 Cb -0.41 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 3bb1 s VAL 206 CO 0.54 0.51 -0.05 0.68 -3.33 0.00 0.00 175.10 173.46 3bb1 s VAL 207 N 1.00 3.20 0.09 2.04 -7.23 0.88 -4.98 120.40 115.39 3bb1 s VAL 207 Ca -0.02 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 3bb1 s VAL 207 Cb -0.15 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 3bb1 s VAL 207 CO -0.04 -0.37 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.61 3bb1 s LEU 208 N -3.64 3.42 -0.01 1.32 1.43 -1.26 -1.03 118.68 118.90 3bb1 s LEU 208 Ca 0.31 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3bb1 s LEU 208 Cb -0.06 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3bb1 s LEU 208 CO 0.19 0.18 -0.02 -0.63 0.23 0.00 0.00 176.35 176.29 3bb1 s ILE 209 N -1.30 0.24 -0.26 -0.59 -1.09 -0.44 -4.84 121.20 112.92 3bb1 s ILE 209 Ca 0.25 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.62 3bb1 s ILE 209 Cb -0.12 -0.25 0.07 0.00 -1.58 0.00 0.00 42.46 40.58 3bb1 s ILE 209 CO 0.18 0.10 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.22 3bb1 s GLU 210 N 0.28 1.95 0.11 2.79 -6.30 -1.26 -0.77 118.70 115.50 3bb1 s GLU 210 Ca -0.03 -1.31 0.14 0.00 -2.50 0.00 0.00 54.97 51.27 3bb1 s GLU 210 Cb -0.05 -2.83 -0.12 0.00 0.00 0.00 0.00 34.13 31.13 3bb1 s GLU 210 CO -0.01 -0.63 1.03 -0.91 0.02 0.00 0.00 175.26 174.76 3bb1 h ASN 211 N 7.81 0.00 -3.75 -1.70 -0.26 -1.97 -3.44 115.58 112.27 3bb1 h ASN 211 Ca -0.17 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 55.02 3bb1 h ASN 211 Cb 1.05 0.00 0.12 0.00 -1.06 0.00 0.00 38.32 38.43 3bb1 h ASN 211 CO 0.45 0.71 0.59 -0.24 -1.06 0.00 0.00 177.43 177.88 3bb1 n SER 212 N -3.08 2.91 0.00 5.81 2.88 -1.26 -4.97 113.62 115.90 3bb1 n SER 212 Ca -0.06 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 3bb1 n SER 212 Cb 0.87 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 3bb1 n SER 212 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bb1 n GLY 213 N 0.70 1.25 3.42 0.46 0.00 -1.26 -4.14 105.19 105.62 3bb1 n GLY 213 Ca 0.06 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.82 3bb1 n GLY 213 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bb1 s ARG 214 N 0.00 3.72 -0.22 1.61 3.03 -1.26 -5.00 118.95 120.83 3bb1 s ARG 214 Ca 0.00 -2.15 -0.04 0.00 2.03 0.00 0.00 55.73 55.57 3bb1 s ARG 214 Cb 0.00 -4.81 -0.01 0.00 -1.03 0.00 0.00 34.95 29.10 3bb1 s ARG 214 CO 0.00 -1.63 -0.03 0.00 -1.13 0.00 0.00 175.30 172.51 3bb1 s ASN 216 N 1.46 6.66 0.00 0.00 2.20 -1.26 -4.96 114.94 119.04 3bb1 s ASN 216 Ca 0.05 2.60 0.00 0.00 -0.94 0.00 0.00 52.86 54.57 3bb1 s ASN 216 Cb -0.14 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.50 3bb1 s ASN 216 CO -0.02 -0.74 0.00 0.29 -2.94 0.00 0.00 177.10 173.69 3bb1 n LYS 217 N 3.13 1.96 -1.87 3.55 4.01 -1.26 -2.86 118.16 124.82 3bb1 n LYS 217 Ca 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 3bb1 n LYS 217 Cb 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.92 3bb1 n LYS 217 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3bb1 n ASN 218 N 0.00 1.36 0.25 4.39 0.23 0.92 -4.36 115.26 118.05 3bb1 n ASN 218 Ca 0.00 -0.93 0.18 0.00 -0.53 0.00 0.00 54.58 53.29 3bb1 n ASN 218 Cb 0.00 0.00 0.90 0.00 -2.08 0.00 0.00 39.78 38.60 3bb1 n ASN 218 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3bb1 h ASP 219 N 0.00 0.00 -0.97 0.53 3.32 -2.02 -2.59 116.42 114.69 3bb1 h ASP 219 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3bb1 h ASP 219 Cb 0.00 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.25 3bb1 h ASP 219 CO 0.00 0.00 0.71 -1.20 -1.72 0.00 0.00 179.24 177.03 3bb1 n SER 220 N -3.60 5.68 -0.17 6.45 7.64 -1.26 -4.93 113.62 123.43 3bb1 n SER 220 Ca -0.00 -3.71 -0.01 0.00 1.01 0.00 0.00 58.87 56.16 3bb1 n SER 220 Cb 0.26 -0.89 -0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 -1.03 -1.86 -4.77 6.43 2.03 -0.97 -4.53 116.55 111.84 3bb1 n ASP 221 Ca 0.60 0.02 -0.38 0.00 0.52 0.00 0.00 54.79 55.56 3bb1 n ASP 221 Cb 1.14 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.99 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 -0.90 4.49 -0.59 -0.67 2.02 -1.26 -4.58 118.70 117.20 3bb1 s GLU 222 Ca 0.00 1.54 -0.27 0.00 0.02 0.00 0.00 54.97 56.25 3bb1 s GLU 222 Cb 0.00 -2.87 0.03 0.00 0.10 0.00 0.00 34.13 31.39 3bb1 s GLU 222 CO 0.00 0.15 1.16 0.15 0.02 0.00 0.00 175.26 176.74 3bb1 s LYS 223 N -1.94 3.46 0.07 1.61 1.02 -1.26 -0.06 119.74 122.64 3bb1 s LYS 223 Ca 0.50 0.13 0.02 0.00 0.02 0.00 0.00 55.97 56.64 3bb1 s LYS 223 Cb -0.24 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 32.99 3bb1 s LYS 223 CO 0.31 -1.69 0.13 0.14 -0.92 0.00 0.00 175.35 173.31 3bb1 s VAL 224 N 4.87 4.84 0.45 3.17 -7.23 -1.14 -2.61 120.40 122.75 3bb1 s VAL 224 Ca 0.40 -0.63 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 3bb1 s VAL 224 Cb -0.08 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 3bb1 s VAL 224 CO 0.24 0.13 0.71 -0.76 -0.31 0.00 0.00 175.10 175.10 3bb1 s LEU 225 N -2.43 3.68 0.10 1.32 2.01 -0.18 -4.72 118.68 118.46 3bb1 s LEU 225 Ca 0.31 0.59 -0.03 0.00 0.01 0.00 0.00 54.13 55.01 3bb1 s LEU 225 Cb -0.12 -3.48 0.16 0.00 0.01 0.00 0.00 46.19 42.76 3bb1 s LEU 225 CO 0.24 -0.61 0.55 -2.65 1.01 0.00 0.00 176.35 174.89 3bb1 n PRO 226 N -2.13 -0.03 0.00 1.29 -0.02 -1.26 0.12 135.00 132.96 3bb1 n PRO 226 Ca -0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3bb1 n PRO 226 Cb 0.56 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 3bb1 n PRO 226 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bb1 n ASN 227 N -4.57 0.32 0.00 2.55 0.23 -1.26 -4.84 115.26 107.69 3bb1 n ASN 227 Ca 0.06 -1.36 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 3bb1 n ASN 227 Cb 0.17 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 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 0.17 2.81 3.75 4.83 0.00 0.12 -5.03 105.19 111.84 3bb1 n GLY 228 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.93 3.84 -0.57 -0.61 -1.09 -1.25 -4.62 121.20 114.97 3bb1 s ILE 229 Ca 0.00 1.85 -0.24 0.00 -2.23 0.00 0.00 60.65 60.03 3bb1 s ILE 229 Cb 0.00 -4.18 0.05 0.00 -1.58 0.00 0.00 42.46 36.75 3bb1 s ILE 229 CO 0.00 0.44 0.95 0.00 -1.23 0.00 0.00 174.94 175.10 3bb1 s ALA 230 N -1.18 3.14 0.31 9.38 0.00 -1.26 -1.02 121.76 131.14 3bb1 s ALA 230 Ca 0.43 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 51.11 3bb1 s ALA 230 Cb -0.28 -3.76 0.51 0.00 0.00 0.00 0.00 23.12 19.59 3bb1 s ALA 230 CO 0.35 -2.46 1.76 0.11 0.00 0.00 0.00 175.76 175.52 3bb1 h TRP 231 N 9.37 0.36 0.41 0.00 5.08 -1.83 -2.21 115.95 127.13 3bb1 h TRP 231 Ca -0.27 -0.08 -0.02 0.00 1.08 0.00 0.00 58.89 59.61 3bb1 h TRP 231 Cb 1.07 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 3bb1 h TRP 231 CO 0.92 0.59 -0.20 0.82 -1.28 0.00 0.00 178.44 179.29 3bb1 h ILE 232 N 0.29 0.54 -0.91 0.12 2.04 -1.90 0.13 117.51 117.82 3bb1 h ILE 232 Ca 0.04 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.54 3bb1 h ILE 232 Cb 0.66 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3bb1 h ILE 232 CO 0.05 0.07 0.59 1.55 0.00 0.00 0.00 178.15 180.42 3bb1 h PRO 233 N -0.82 1.00 -0.71 2.37 0.13 -1.90 -0.46 132.00 131.60 3bb1 h PRO 233 Ca -0.06 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3bb1 h PRO 233 Cb 0.54 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 3bb1 h PRO 233 CO 0.09 0.66 0.35 1.25 -0.23 0.00 0.00 178.00 180.13 3bb1 h HIS 234 N 1.03 1.02 0.50 1.56 2.76 -1.23 -0.22 115.15 120.57 3bb1 h HIS 234 Ca 0.40 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 3bb1 h HIS 234 Cb 0.22 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.87 3bb1 h HIS 234 CO -0.00 0.74 -0.24 1.25 -1.30 0.00 0.00 177.93 178.38 3bb1 h LEU 235 N 0.99 -0.57 -1.51 0.26 5.85 -0.23 -1.81 115.31 118.29 3bb1 h LEU 235 Ca 0.25 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.02 3bb1 h LEU 235 Cb 0.10 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3bb1 h LEU 235 CO -0.03 -0.27 0.47 0.58 -0.34 0.00 0.00 178.44 178.85 3bb1 h VAL 236 N -0.88 0.89 0.08 1.05 2.07 -0.98 0.92 116.25 119.40 3bb1 h VAL 236 Ca -0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3bb1 h VAL 236 Cb 0.60 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3bb1 h VAL 236 CO 0.11 0.10 -0.04 -0.61 0.02 0.00 0.00 177.57 177.16 3bb1 h GLN 237 N 0.54 -0.10 -0.94 1.57 4.15 -0.90 -1.21 115.11 118.22 3bb1 h GLN 237 Ca 0.33 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.84 3bb1 h GLN 237 Cb 0.57 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.21 3bb1 h GLN 237 CO -0.11 0.23 0.59 1.15 -1.93 0.00 0.00 178.83 178.75 3bb1 h THR 238 N -0.44 1.01 -0.61 2.39 2.02 -0.56 0.22 112.91 116.94 3bb1 h THR 238 Ca -0.01 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.89 3bb1 h THR 238 Cb 0.38 -0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 3bb1 h THR 238 CO 0.02 0.19 0.31 0.40 0.37 0.00 0.00 175.52 176.80 3bb1 h ILE 239 N 1.02 0.90 0.07 3.11 2.04 -0.67 -1.87 117.51 122.12 3bb1 h ILE 239 Ca 0.42 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 3bb1 h ILE 239 Cb 0.26 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3bb1 h ILE 239 CO -0.20 0.10 -0.04 0.71 0.00 0.00 0.00 178.15 178.72 3bb1 h THR 240 N 0.56 1.12 -0.94 -0.27 1.35 0.24 -0.16 112.91 114.80 3bb1 h THR 240 Ca 0.29 -0.68 0.23 0.00 -0.55 0.00 0.00 66.41 65.69 3bb1 h THR 240 Cb 0.24 1.56 -0.12 0.00 -1.73 0.00 0.00 68.15 68.10 3bb1 h THR 240 CO -0.21 0.17 0.48 -0.33 -0.25 0.00 0.00 175.52 175.38 3bb1 h GLU 241 N -0.41 0.46 0.04 4.72 5.08 -0.49 0.78 114.58 124.76 3bb1 h GLU 241 Ca -0.01 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 3bb1 h GLU 241 Cb 0.35 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3bb1 h GLU 241 CO 0.02 0.31 -1.07 0.28 -1.00 0.00 0.00 179.01 177.55 3bb1 h VAL 242 N 0.48 1.34 -0.97 3.13 2.07 -1.32 -3.17 116.25 117.81 3bb1 h VAL 242 Ca 0.60 -2.43 0.10 0.00 0.82 0.00 0.00 66.70 65.78 3bb1 h VAL 242 Cb 1.14 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 33.34 3bb1 h VAL 242 CO -0.50 0.74 0.61 0.00 0.02 0.00 0.00 177.57 178.43 3bb1 h ALA 243 N 0.52 1.42 -1.04 1.67 0.00 0.96 -2.99 119.26 119.80 3bb1 h ALA 243 Ca -0.12 0.01 -0.77 0.00 0.00 0.00 0.00 54.91 54.02 3bb1 h ALA 243 Cb 1.72 -0.23 -0.27 0.00 0.00 0.00 0.00 17.79 19.01 3bb1 h ALA 243 CO 0.20 0.27 1.05 1.28 0.00 0.00 0.00 179.25 182.05 3bb1 n LEU 244 N -4.60 7.49 -0.01 0.00 4.77 0.06 -4.92 117.00 119.78 3bb1 n LEU 244 Ca 0.17 -4.91 0.10 0.00 -0.03 0.00 0.00 56.01 51.35 3bb1 n LEU 244 Cb 0.29 -1.08 -0.17 0.00 -2.33 0.00 0.00 43.42 40.14 3bb1 n LEU 244 CO 0.29 1.80 -0.76 -0.46 -1.33 0.00 0.00 177.39 176.92 3bb1 n ASN 245 N -0.48 0.11 -3.86 -1.43 6.94 -1.13 -4.94 115.26 110.46 3bb1 n ASN 245 Ca 0.53 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.79 3bb1 n ASN 245 Cb 0.24 1.96 -0.15 0.00 -2.36 0.00 0.00 39.78 39.47 3bb1 n ASN 245 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3bb1 s LYS 246 N -3.47 1.08 0.53 -3.83 2.36 -1.26 -5.03 119.74 110.12 3bb1 s LYS 246 Ca -0.08 -1.35 0.09 0.00 -2.55 0.00 0.00 55.97 52.08 3bb1 s LYS 246 Cb 0.14 -2.50 0.06 0.00 -1.05 0.00 0.00 37.83 34.48 3bb1 s LYS 246 CO 0.89 -0.93 0.72 -1.12 1.55 0.00 0.00 175.35 176.47 3bb1 s SER 247 N 1.33 5.26 0.25 1.43 0.01 -1.26 -5.10 113.70 115.62 3bb1 s SER 247 Ca 0.09 -0.73 -0.17 0.00 1.31 0.00 0.00 55.95 56.45 3bb1 s SER 247 Cb -0.18 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 3bb1 s SER 247 CO -0.17 -1.17 0.70 -1.61 0.41 0.00 0.00 173.24 171.40 3bb1 s GLU 248 N -4.57 4.10 0.60 12.44 0.41 -1.26 -5.05 118.70 125.37 3bb1 s GLU 248 Ca 0.60 0.72 -0.19 0.00 -0.41 0.00 0.00 54.97 55.69 3bb1 s GLU 248 Cb -0.07 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.54 3bb1 s GLU 248 CO 0.37 0.32 1.20 -1.12 -0.49 0.00 0.00 175.26 175.53 3bb1 s SER 249 N -1.92 5.18 -0.24 -0.19 0.01 -1.26 -4.94 113.70 110.33 3bb1 s SER 249 Ca 0.47 2.36 -0.20 0.00 1.31 0.00 0.00 55.95 59.89 3bb1 s SER 249 Cb -0.14 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3bb1 s SER 249 CO 0.19 -1.60 0.59 -0.63 0.41 0.00 0.00 173.24 172.21 3bb1 s ILE 250 N -1.65 5.02 -0.32 1.44 1.09 -1.06 -4.93 121.20 120.79 3bb1 s ILE 250 Ca 0.77 1.06 -0.19 0.00 -1.10 0.00 0.00 60.65 61.19 3bb1 s ILE 250 Cb -0.29 -3.90 -0.01 0.00 -1.06 0.00 0.00 42.46 37.19 3bb1 s ILE 250 CO 0.33 0.07 0.59 0.12 -0.10 0.00 0.00 174.94 175.95 3bb1 s PHE 251 N 2.30 3.20 -1.00 3.97 5.36 -1.26 -0.76 117.98 129.78 3bb1 s PHE 251 Ca 0.25 0.46 -0.19 0.00 -0.96 0.00 0.00 56.93 56.49 3bb1 s PHE 251 Cb -0.16 -2.96 0.12 0.00 -0.34 0.00 0.00 43.02 39.68 3bb1 s PHE 251 CO 0.09 -0.49 1.26 0.08 -1.46 0.00 0.00 175.22 174.70 3bb1 s VAL 252 N 2.54 4.61 0.14 3.12 1.01 -0.36 -4.92 120.40 126.54 3bb1 s VAL 252 Ca 0.23 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.64 3bb1 s VAL 252 Cb -0.15 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 3bb1 s VAL 252 CO 0.12 -1.62 0.15 1.51 0.00 0.00 0.00 175.10 175.26 3bb1 s ASP 253 N 3.77 5.69 0.18 3.32 1.47 -1.26 -0.43 116.67 129.41 3bb1 s ASP 253 Ca 0.37 -0.04 -0.33 0.00 1.18 0.00 0.00 52.55 53.73 3bb1 s ASP 253 Cb -0.03 -1.54 -0.14 0.00 -0.34 0.00 0.00 42.92 40.86 3bb1 s ASP 253 CO -0.07 0.09 1.42 0.29 0.68 0.00 0.00 175.17 177.58 3bb1 n LYS 254 N -0.21 1.83 0.00 2.11 5.02 -1.26 0.13 118.16 125.78 3bb1 n LYS 254 Ca -0.08 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 3bb1 n LYS 254 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 3bb1 n LYS 254 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3bb1 n ASN 255 N 2.61 0.00 0.20 4.39 4.05 -1.26 -4.80 115.26 120.45 3bb1 n ASN 255 Ca 0.15 0.00 0.09 0.00 0.45 0.00 0.00 54.58 55.27 3bb1 n ASN 255 Cb 0.28 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.44 3bb1 n ASN 255 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3bb1 h LEU 256 N 0.00 0.00 0.00 1.20 4.07 0.79 -3.53 115.31 117.84 3bb1 h LEU 256 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3bb1 h LEU 256 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3bb1 h LEU 256 CO 0.00 0.17 0.00 2.30 -1.08 0.00 0.00 178.44 179.83