#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwo n LYS 16 N 0.00 2.43 0.00 -3.83 3.00 -1.26 -4.83 118.16 113.67 3bwo n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3bwo n LYS 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3bwo n LYS 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3bwo n ASN 17 N -0.51 0.00 -4.64 3.14 3.02 -1.26 -4.93 115.26 110.09 3bwo n ASN 17 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3bwo n ASN 17 Cb 0.00 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 3bwo n ASN 17 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3bwo s ILE 18 N -1.11 4.69 0.37 2.41 -5.25 -1.26 -5.01 121.20 116.04 3bwo s ILE 18 Ca 0.00 1.65 -0.27 0.00 -0.99 0.00 0.00 60.65 61.04 3bwo s ILE 18 Cb 0.00 -4.26 -0.09 0.00 2.95 0.00 0.00 42.46 41.06 3bwo s ILE 18 CO 0.00 -0.26 1.22 -2.16 -1.79 0.00 0.00 174.94 171.95 3bwo s PRO 19 N 3.20 4.20 0.02 0.37 0.04 -1.26 -4.85 135.00 136.72 3bwo s PRO 19 Ca 0.40 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.49 3bwo s PRO 19 Cb -0.14 -2.87 0.27 0.00 0.04 0.00 0.00 34.50 31.80 3bwo s PRO 19 CO 0.10 -0.24 1.19 -1.33 0.04 0.00 0.00 177.00 176.77 3bwo n MET 20 N 0.44 0.01 0.03 4.56 2.81 -1.26 -1.80 117.12 121.91 3bwo n MET 20 Ca 0.02 0.43 0.13 0.00 -1.81 0.00 0.00 57.70 56.47 3bwo n MET 20 Cb 0.44 -1.53 0.47 0.00 -0.71 0.00 0.00 33.22 31.89 3bwo n MET 20 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3bwo n SER 21 N -1.56 0.35 -1.37 7.83 3.41 -1.26 -3.26 113.62 117.75 3bwo n SER 21 Ca 0.01 0.37 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 3bwo n SER 21 Cb 0.06 -0.39 0.32 0.00 -0.26 0.00 0.00 64.21 63.94 3bwo n SER 21 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3bwo n ASP 22 N -1.75 4.17 -4.62 4.04 8.00 -0.75 -4.92 116.55 120.73 3bwo n ASP 22 Ca 0.06 -2.17 -0.40 0.00 0.71 0.00 0.00 54.79 52.99 3bwo n ASP 22 Cb 0.37 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 3bwo n ASP 22 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3bwo s PHE 23 N -1.32 3.27 -0.20 1.24 5.36 -1.20 -5.03 117.98 120.10 3bwo s PHE 23 Ca 0.48 0.66 -0.27 0.00 -0.96 0.00 0.00 56.93 56.84 3bwo s PHE 23 Cb 0.27 -2.74 -0.00 0.00 -0.34 0.00 0.00 43.02 40.21 3bwo s PHE 23 CO 0.29 -0.29 0.94 0.08 -1.46 0.00 0.00 175.22 174.78 3bwo s VAL 24 N 2.33 4.77 -0.51 3.12 1.01 -1.26 -4.94 120.40 124.92 3bwo s VAL 24 Ca 0.22 1.84 -0.20 0.00 0.00 0.00 0.00 61.98 63.84 3bwo s VAL 24 Cb -0.16 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.04 3bwo s VAL 24 CO 0.09 -0.09 0.71 -0.69 0.00 0.00 0.00 175.10 175.12 3bwo s VAL 25 N 2.73 4.75 -0.55 2.92 1.01 -0.48 -5.01 120.40 125.78 3bwo s VAL 25 Ca 0.41 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 3bwo s VAL 25 Cb -0.16 -4.35 0.13 0.00 0.00 0.00 0.00 36.38 32.00 3bwo s VAL 25 CO 0.09 -0.87 0.51 0.21 0.00 0.00 0.00 175.10 175.04 3bwo s ASN 26 N 2.68 6.20 -0.27 3.32 3.84 -1.26 -0.05 114.94 129.40 3bwo s ASN 26 Ca 0.20 -1.81 0.09 0.00 0.21 0.00 0.00 52.86 51.55 3bwo s ASN 26 Cb -0.17 -2.21 0.45 0.00 -0.55 0.00 0.00 41.25 38.77 3bwo s ASN 26 CO 0.14 -0.85 1.31 0.18 -2.79 0.00 0.00 177.10 175.08 3bwo n LEU 27 N 5.23 3.74 0.12 3.21 4.77 0.36 -4.66 117.00 129.76 3bwo n LEU 27 Ca -0.13 -4.08 -0.24 0.00 -0.03 0.00 0.00 56.01 51.53 3bwo n LEU 27 Cb 0.40 -0.53 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 3bwo n LEU 27 CO 0.54 1.53 -0.22 -0.78 -1.33 0.00 0.00 177.39 177.13 3bwo h ASP 28 N 1.29 0.76 -2.44 -1.43 3.58 -1.69 -2.54 116.42 113.95 3bwo h ASP 28 Ca 0.16 -0.93 -0.46 0.00 0.42 0.00 0.00 57.03 56.23 3bwo h ASP 28 Cb 1.29 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 42.10 3bwo h ASP 28 CO 0.32 1.67 -0.25 -1.38 -2.88 0.00 0.00 179.24 176.72 3bwo s HIS 29 N -2.56 3.33 -0.72 0.28 -3.43 -1.26 -4.30 115.29 106.62 3bwo s HIS 29 Ca -0.11 0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.26 3bwo s HIS 29 Cb 0.04 -1.97 0.39 0.00 -1.43 0.00 0.00 32.58 29.61 3bwo s HIS 29 CO 0.92 0.02 1.86 0.41 -2.00 0.00 0.00 174.74 175.95 3bwo n GLY 30 N -1.76 5.72 3.58 -1.38 0.00 -1.26 -4.64 105.19 105.45 3bwo n GLY 30 Ca -0.03 -2.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.08 3bwo n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bwo s ASP 31 N -1.73 5.95 -1.15 1.61 2.15 -1.26 -4.90 116.67 117.34 3bwo s ASP 31 Ca 0.54 0.75 -0.11 0.00 0.43 0.00 0.00 52.55 54.17 3bwo s ASP 31 Cb 0.45 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.47 3bwo s ASP 31 CO -0.27 -1.76 2.31 -0.81 -0.17 0.00 0.00 175.17 174.48 3bwo n PRO 32 N 8.53 2.50 0.00 4.34 -0.04 -1.26 -4.37 135.00 144.70 3bwo n PRO 32 Ca 0.18 -1.88 0.15 0.00 -0.04 0.00 0.00 63.50 61.91 3bwo n PRO 32 Cb 0.49 -2.74 0.77 0.00 -0.04 0.00 0.00 33.50 31.97 3bwo n PRO 32 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3bwo n THR 33 N 4.50 0.01 0.27 0.52 -2.24 -0.83 -3.72 114.28 112.78 3bwo n THR 33 Ca 0.55 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.47 3bwo n THR 33 Cb 0.24 -0.51 0.73 0.00 -2.10 0.00 0.00 70.33 68.69 3bwo n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bwo h ALA 34 N 3.46 1.21 -0.00 6.98 0.00 -1.40 -2.54 119.26 126.96 3bwo h ALA 34 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bwo h ALA 34 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3bwo h ALA 34 CO 0.00 0.14 -0.33 0.66 0.00 0.00 0.00 179.25 179.72 3bwo n TYR 35 N -3.52 0.00 -0.21 0.00 4.01 -1.24 -4.18 117.16 112.02 3bwo n TYR 35 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.70 3bwo n TYR 35 Cb 0.25 -0.28 0.08 0.00 -0.31 0.00 0.00 39.34 39.09 3bwo n TYR 35 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3bwo h GLU 36 N 0.20 0.57 -0.01 -0.72 4.81 -1.70 -2.54 114.58 115.18 3bwo h GLU 36 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3bwo h GLU 36 Cb 0.48 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3bwo h GLU 36 CO 0.00 0.38 -0.22 0.93 -0.73 0.00 0.00 179.01 179.37 3bwo h GLU 37 N 0.58 -0.32 -0.17 1.92 4.39 -1.80 -2.24 114.58 116.95 3bwo h GLU 37 Ca 0.28 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.03 3bwo h GLU 37 Cb 0.20 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 3bwo h GLU 37 CO -0.19 -0.22 -0.51 -0.92 -1.16 0.00 0.00 179.01 176.01 3bwo h TYR 38 N -0.34 -1.52 0.00 4.33 3.20 -1.72 -1.94 116.97 118.98 3bwo h TYR 38 Ca 0.06 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3bwo h TYR 38 Cb 0.42 0.69 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 3bwo h TYR 38 CO -0.27 -0.50 -0.00 -1.49 -1.64 0.00 0.00 178.16 174.26 3bwo h TRP 39 N -0.52 0.00 -0.33 -3.82 4.06 -1.35 -0.83 115.95 113.15 3bwo h TRP 39 Ca 0.04 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.85 3bwo h TRP 39 Cb 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 3bwo h TRP 39 CO -0.60 0.00 -0.31 -0.09 -3.56 0.00 0.00 178.44 173.88 3bwo h ARG 40 N 0.00 0.80 0.00 0.49 2.43 -0.74 -3.05 114.38 114.32 3bwo h ARG 40 Ca -0.00 -0.42 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 3bwo h ARG 40 Cb 0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3bwo h ARG 40 CO 0.00 1.05 -0.29 0.87 -1.51 0.00 0.00 179.97 180.09 3bwo h LYS 41 N 0.58 0.00 -0.07 0.20 1.57 -0.73 -2.62 116.57 115.50 3bwo h LYS 41 Ca 0.06 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3bwo h LYS 41 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3bwo h LYS 41 CO 0.08 0.29 0.09 0.52 -0.57 0.00 0.00 179.45 179.86 3bwo h MET 42 N 0.00 0.00 0.00 3.15 2.86 -1.27 -3.47 114.93 116.20 3bwo h MET 42 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3bwo h MET 42 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3bwo h MET 42 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 3bwo n GLY 43 N -1.35 -1.02 0.21 8.32 0.00 -0.99 -4.12 105.19 106.23 3bwo n GLY 43 Ca -0.01 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.92 3bwo n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bwo h ASP 44 N 0.00 0.00 0.63 1.61 5.19 -1.91 -2.56 116.42 119.37 3bwo h ASP 44 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3bwo h ASP 44 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3bwo h ASP 44 CO 0.00 0.00 0.00 -2.11 -3.12 0.00 0.00 179.24 174.01 3bwo n ARG 45 N -2.36 0.10 0.05 3.56 1.85 -1.26 -1.91 116.66 116.69 3bwo n ARG 45 Ca -0.01 0.33 0.11 0.00 -1.00 0.00 0.00 57.85 57.28 3bwo n ARG 45 Cb 0.19 -1.69 -0.03 0.00 -1.05 0.00 0.00 32.46 29.88 3bwo n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bwo n THR 47 N -2.29 0.56 -4.81 0.00 -1.04 -0.80 -4.83 114.28 101.07 3bwo n THR 47 Ca -0.00 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.05 61.54 3bwo n THR 47 Cb 0.51 -0.82 -0.14 0.00 -1.82 0.00 0.00 70.33 68.06 3bwo n THR 47 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3bwo s VAL 48 N 0.06 3.01 -0.12 12.58 1.01 -1.26 -5.11 120.40 130.57 3bwo s VAL 48 Ca 0.77 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3bwo s VAL 48 Cb -0.90 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3bwo s VAL 48 CO 0.50 0.54 -0.22 -0.89 0.00 0.00 0.00 175.10 175.03 3bwo s THR 49 N 0.19 2.16 -0.14 3.92 2.01 -1.26 -5.11 115.64 117.41 3bwo s THR 49 Ca -0.08 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 3bwo s THR 49 Cb -0.15 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.54 3bwo s THR 49 CO 0.05 0.55 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.82 3bwo s ILE 50 N 0.58 1.15 0.59 1.82 1.01 -1.26 -5.13 121.20 119.96 3bwo s ILE 50 Ca -0.12 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3bwo s ILE 50 Cb -0.17 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3bwo s ILE 50 CO 0.03 0.29 1.04 -0.13 0.00 0.00 0.00 174.94 176.17 3bwo s ARG 51 N 1.64 3.44 0.58 2.79 0.52 -1.26 -4.94 118.95 121.73 3bwo s ARG 51 Ca 0.03 1.07 0.28 0.00 -0.52 0.00 0.00 55.73 56.59 3bwo s ARG 51 Cb -0.14 -2.06 1.68 0.00 0.52 0.00 0.00 34.95 34.96 3bwo s ARG 51 CO -0.08 -0.70 2.15 0.78 0.02 0.00 0.00 175.30 177.47 3bwo h GLY 52 N 0.32 0.00 -2.34 -3.53 0.00 -2.06 -2.15 103.07 93.31 3bwo h GLY 52 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3bwo h GLY 52 CO 0.59 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.13 3bwo s ASP 54 N -1.10 6.08 -1.29 0.00 1.01 -0.81 -4.43 116.67 116.13 3bwo s ASP 54 Ca 0.42 0.89 -0.11 0.00 0.71 0.00 0.00 52.55 54.46 3bwo s ASP 54 Cb 0.22 -2.11 0.09 0.00 1.01 0.00 0.00 42.92 42.14 3bwo s ASP 54 CO 0.30 -0.73 0.50 0.18 0.21 0.00 0.00 175.17 175.63 3bwo n LEU 55 N -2.38 -1.39 -0.01 1.23 4.77 -1.26 -4.88 117.00 113.09 3bwo n LEU 55 Ca 0.02 -0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 55.36 3bwo n LEU 55 Cb 0.56 -1.99 -0.13 0.00 -2.33 0.00 0.00 43.42 39.52 3bwo n LEU 55 CO 0.53 0.16 0.23 0.24 -1.33 0.00 0.00 177.39 177.22 3bwo h MET 56 N -0.95 0.17 -7.17 3.23 2.86 -1.95 -3.47 114.93 107.65 3bwo h MET 56 Ca -0.43 -0.26 -0.53 0.00 -2.06 0.00 0.00 59.70 56.41 3bwo h MET 56 Cb 1.29 0.10 0.15 0.00 0.06 0.00 0.00 31.60 33.20 3bwo h MET 56 CO 0.55 1.10 0.40 0.45 1.06 0.00 0.00 176.91 180.48 3bwo s SER 57 N -6.58 4.27 0.41 1.22 0.15 -1.26 -4.91 113.70 106.99 3bwo s SER 57 Ca -0.16 2.37 0.15 0.00 0.70 0.00 0.00 55.95 59.01 3bwo s SER 57 Cb -0.01 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.58 3bwo s SER 57 CO 0.76 -2.21 1.89 1.88 1.20 0.00 0.00 173.24 176.76 3bwo h TYR 58 N -0.20 0.00 -2.97 3.44 -1.99 -1.97 -3.44 116.97 109.83 3bwo h TYR 58 Ca -0.48 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 59.64 3bwo h TYR 58 Cb 1.30 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.97 3bwo h TYR 58 CO 0.47 0.30 -0.26 -0.06 -0.00 0.00 0.00 178.16 178.61 3bwo s PHE 59 N -4.26 3.68 -0.21 4.88 0.08 -1.26 -4.78 117.98 116.11 3bwo s PHE 59 Ca -0.03 0.88 -0.01 0.00 0.12 0.00 0.00 56.93 57.89 3bwo s PHE 59 Cb 0.14 -2.21 -0.13 0.00 -0.57 0.00 0.00 43.02 40.26 3bwo s PHE 59 CO 0.70 0.63 -0.20 0.43 -0.10 0.00 0.00 175.22 176.68 3bwo n SER 60 N 1.64 2.24 -3.15 1.36 7.64 0.54 -5.01 113.62 118.89 3bwo n SER 60 Ca -0.14 -0.04 0.05 0.00 1.01 0.00 0.00 58.87 59.75 3bwo n SER 60 Cb 0.53 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 3bwo n SER 60 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3bwo s ASP 61 N -6.18 -0.84 0.00 6.43 2.15 -0.55 -4.86 116.67 112.81 3bwo s ASP 61 Ca -0.28 0.45 0.15 0.00 0.43 0.00 0.00 52.55 53.30 3bwo s ASP 61 Cb 0.08 1.68 0.75 0.00 -0.30 0.00 0.00 42.92 45.12 3bwo s ASP 61 CO 0.46 -0.16 1.45 0.23 -0.17 0.00 0.00 175.17 176.98 3bwo n MET 62 N 5.42 0.16 0.25 4.34 2.81 -1.26 -2.31 117.12 126.54 3bwo n MET 62 Ca -0.03 0.17 0.14 0.00 -1.81 0.00 0.00 57.70 56.17 3bwo n MET 62 Cb 0.53 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 31.97 3bwo n MET 62 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3bwo h THR 63 N 0.00 0.03 -2.88 2.03 2.02 -1.95 -3.45 112.91 108.71 3bwo h THR 63 Ca 0.00 -0.79 -0.61 0.00 0.77 0.00 0.00 66.41 65.78 3bwo h THR 63 Cb 0.17 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3bwo h THR 63 CO 0.00 0.02 -0.49 0.20 0.37 0.00 0.00 175.52 175.62 3bwo s ASN 64 N -5.97 6.36 0.18 4.18 0.01 -0.98 -5.00 114.94 113.73 3bwo s ASN 64 Ca 0.04 0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 52.33 3bwo s ASN 64 Cb 0.07 -1.96 0.17 0.00 0.41 0.00 0.00 41.25 39.94 3bwo s ASN 64 CO 0.61 0.15 1.74 0.25 -1.51 0.00 0.00 177.10 178.34 3bwo h LEU 65 N 2.95 0.12 -7.77 0.60 5.85 -1.87 -3.12 115.31 112.07 3bwo h LEU 65 Ca -0.45 0.07 -0.75 0.00 0.84 0.00 0.00 57.88 57.58 3bwo h LEU 65 Cb 1.16 0.07 -0.22 0.00 0.37 0.00 0.00 40.66 42.04 3bwo h LEU 65 CO 0.75 0.10 0.73 0.00 -0.34 0.00 0.00 178.44 179.67 3bwo n TRP 67 N 4.78 0.00 -0.48 0.00 4.27 -1.18 -2.06 117.44 122.77 3bwo n TRP 67 Ca 0.25 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.94 3bwo n TRP 67 Cb 0.44 -0.12 0.26 0.00 -1.36 0.00 0.00 31.31 30.54 3bwo n TRP 67 CO 0.00 0.00 0.00 1.97 -2.29 0.00 0.00 177.69 177.37 3bwo n PHE 68 N -1.12 0.92 -3.39 -2.67 -1.74 -1.26 -0.34 117.46 107.87 3bwo n PHE 68 Ca 0.10 -0.60 -0.39 0.00 -0.56 0.00 0.00 57.45 56.00 3bwo n PHE 68 Cb 0.08 -0.14 -0.08 0.00 1.52 0.00 0.00 39.48 40.86 3bwo n PHE 68 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 3bwo s LEU 69 N -1.57 4.08 -0.02 5.98 2.96 -0.87 -4.64 118.68 124.60 3bwo s LEU 69 Ca 0.39 0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 54.37 3bwo s LEU 69 Cb 0.24 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3bwo s LEU 69 CO 0.20 -0.14 1.15 -0.70 -1.32 0.00 0.00 176.35 175.54 3bwo s GLU 70 N 1.77 4.41 0.19 1.98 2.56 -1.26 -4.46 118.70 123.89 3bwo s GLU 70 Ca 0.17 1.64 -0.16 0.00 0.00 0.00 0.00 54.97 56.61 3bwo s GLU 70 Cb -0.15 -3.49 0.17 0.00 2.00 0.00 0.00 34.13 32.66 3bwo s GLU 70 CO 0.09 -0.34 1.63 -1.35 -0.56 0.00 0.00 175.26 174.73 3bwo h PRO 71 N 7.17 -0.06 -0.01 4.30 0.11 -1.96 -0.69 132.00 140.86 3bwo h PRO 71 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3bwo h PRO 71 Cb 1.18 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bwo h PRO 71 CO 0.84 -0.04 0.02 1.05 -0.21 0.00 0.00 178.00 179.67 3bwo h GLU 72 N -0.06 0.00 0.12 1.05 9.09 -1.96 0.16 114.58 122.97 3bwo h GLU 72 Ca 0.25 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.49 3bwo h GLU 72 Cb 0.45 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.56 3bwo h GLU 72 CO -0.58 0.00 -0.76 1.25 0.05 0.00 0.00 179.01 178.97 3bwo h LEU 73 N 0.00 0.38 -0.44 3.06 5.85 -1.41 -2.91 115.31 119.84 3bwo h LEU 73 Ca 0.00 -0.94 0.08 0.00 0.84 0.00 0.00 57.88 57.86 3bwo h LEU 73 Cb 0.04 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3bwo h LEU 73 CO -0.00 1.36 0.03 -0.08 -0.34 0.00 0.00 178.44 179.40 3bwo h GLU 74 N -0.47 0.14 -0.49 1.25 4.81 -0.57 -0.56 114.58 118.69 3bwo h GLU 74 Ca -0.14 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3bwo h GLU 74 Cb 1.55 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 3bwo h GLU 74 CO 0.11 0.09 0.30 -0.44 -0.73 0.00 0.00 179.01 178.34 3bwo h ASP 75 N 0.14 0.58 -0.44 1.04 3.32 -1.10 -2.10 116.42 117.87 3bwo h ASP 75 Ca 0.22 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3bwo h ASP 75 Cb 0.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3bwo h ASP 75 CO -0.34 0.46 0.29 0.00 -1.72 0.00 0.00 179.24 177.93 3bwo h ALA 76 N 1.15 0.55 -0.07 3.45 0.00 -1.24 0.11 119.26 123.21 3bwo h ALA 76 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3bwo h ALA 76 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3bwo h ALA 76 CO -0.03 0.00 -0.02 0.82 0.00 0.00 0.00 179.25 180.02 3bwo h ILE 77 N 0.59 0.93 -0.81 0.00 2.04 -0.77 -0.45 117.51 119.04 3bwo h ILE 77 Ca 0.16 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3bwo h ILE 77 Cb -0.06 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3bwo h ILE 77 CO -0.04 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.76 3bwo h LYS 78 N 0.00 1.06 -0.40 2.37 1.57 -1.12 -0.11 116.57 119.93 3bwo h LYS 78 Ca 0.03 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3bwo h LYS 78 Cb 0.05 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3bwo h LYS 78 CO -0.07 0.70 0.03 -0.44 -0.57 0.00 0.00 179.45 179.10 3bwo h ASP 79 N 1.09 0.68 -0.35 0.86 3.32 -0.69 0.94 116.42 122.26 3bwo h ASP 79 Ca 0.30 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3bwo h ASP 79 Cb -0.12 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3bwo h ASP 79 CO -0.07 0.80 0.21 0.25 -1.72 0.00 0.00 179.24 178.71 3bwo h LEU 80 N 0.53 0.43 -1.17 1.55 7.12 -0.83 0.02 115.31 122.95 3bwo h LEU 80 Ca 0.12 -0.06 -0.08 0.00 0.13 0.00 0.00 57.88 57.98 3bwo h LEU 80 Cb 0.43 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 3bwo h LEU 80 CO 0.02 0.36 -0.37 0.45 -0.13 0.00 0.00 178.44 178.77 3bwo h HIS 81 N 0.45 0.09 -0.30 1.25 3.86 -0.90 -1.53 115.15 118.07 3bwo h HIS 81 Ca 0.13 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 3bwo h HIS 81 Cb 0.02 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3bwo h HIS 81 CO -0.04 0.44 -0.26 0.78 0.86 0.00 0.00 177.93 179.71 3bwo h GLY 82 N 1.14 0.65 1.38 2.45 0.00 -0.02 0.67 103.07 109.35 3bwo h GLY 82 Ca 0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 47.33 46.49 3bwo h GLY 82 CO 0.05 0.50 -1.42 -0.24 0.00 0.00 0.00 176.54 175.43 3bwo h VAL 83 N 0.52 1.29 0.16 4.60 3.04 -0.86 -3.35 116.25 121.65 3bwo h VAL 83 Ca 0.07 -2.88 -0.30 0.00 -1.01 0.00 0.00 66.70 62.58 3bwo h VAL 83 Cb 0.72 2.86 0.01 0.00 -2.01 0.00 0.00 31.29 32.88 3bwo h VAL 83 CO 0.06 0.85 -1.36 0.58 -1.01 0.00 0.00 177.57 176.68 3bwo h VAL 84 N 0.08 1.37 -0.68 1.51 2.07 -1.24 -3.48 116.25 115.88 3bwo h VAL 84 Ca -0.20 -2.92 -0.17 0.00 0.82 0.00 0.00 66.70 64.22 3bwo h VAL 84 Cb 2.02 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 34.68 3bwo h VAL 84 CO 0.19 0.86 -0.18 0.61 0.02 0.00 0.00 177.57 179.07 3bwo n GLY 85 N 1.61 0.69 0.08 2.17 0.00 0.23 -4.63 105.19 105.34 3bwo n GLY 85 Ca -0.12 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.40 3bwo n GLY 85 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3bwo h ASN 86 N 0.00 0.00 -4.73 1.61 -1.07 -1.87 -3.35 115.58 106.18 3bwo h ASN 86 Ca -0.18 -0.15 -0.16 0.00 0.07 0.00 0.00 56.30 55.88 3bwo h ASN 86 Cb 0.76 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 36.79 3bwo h ASN 86 CO 0.25 0.07 -0.51 0.00 0.07 0.00 0.00 177.43 177.31 3bwo s ALA 87 N -3.24 -0.31 0.16 4.14 0.00 -1.26 -1.94 121.76 119.31 3bwo s ALA 87 Ca 0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.75 3bwo s ALA 87 Cb 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 3bwo s ALA 87 CO 0.75 -0.18 0.68 0.00 0.00 0.00 0.00 175.76 177.01 3bwo s ALA 88 N -1.08 3.49 0.00 0.00 0.00 0.27 -4.76 121.76 119.67 3bwo s ALA 88 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3bwo s ALA 88 Cb -0.06 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3bwo s ALA 88 CO 0.01 0.35 0.29 0.25 0.00 0.00 0.00 175.76 176.66 3bwo n THR 89 N 1.24 0.07 -2.92 0.00 -2.24 -1.26 -4.96 114.28 104.21 3bwo n THR 89 Ca -0.06 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 3bwo n THR 89 Cb 0.50 1.45 -0.07 0.00 -2.10 0.00 0.00 70.33 70.12 3bwo n THR 89 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3bwo s GLU 90 N -0.07 4.14 -1.55 -0.78 1.03 -1.26 -4.09 118.70 116.11 3bwo s GLU 90 Ca 0.00 0.95 -0.14 0.00 0.03 0.00 0.00 54.97 55.81 3bwo s GLU 90 Cb 0.00 -2.27 0.09 0.00 -0.80 0.00 0.00 34.13 31.15 3bwo s GLU 90 CO 0.00 0.03 0.92 -0.25 -1.33 0.00 0.00 175.26 174.63 3bwo n ASP 91 N -0.58 -4.24 -3.68 0.83 10.43 -1.26 -4.97 116.55 113.07 3bwo n ASP 91 Ca 0.06 -0.83 -0.15 0.00 2.57 0.00 0.00 54.79 56.44 3bwo n ASP 91 Cb 0.54 -3.67 -0.08 0.00 1.84 0.00 0.00 41.12 39.75 3bwo n ASP 91 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3bwo s ARG 92 N -6.65 0.78 0.15 -1.24 1.70 -1.26 -4.83 118.95 107.60 3bwo s ARG 92 Ca 0.63 0.01 -0.23 0.00 -0.47 0.00 0.00 55.73 55.67 3bwo s ARG 92 Cb -0.32 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.34 3bwo s ARG 92 CO 0.85 -0.22 0.71 0.71 -1.08 0.00 0.00 175.30 176.28 3bwo s TYR 93 N -1.15 3.86 -0.21 5.89 2.02 -0.43 -4.84 117.35 122.49 3bwo s TYR 93 Ca -0.12 1.51 -0.09 0.00 -0.37 0.00 0.00 57.07 58.00 3bwo s TYR 93 Cb -0.03 -2.68 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 3bwo s TYR 93 CO 0.06 0.52 0.12 0.42 -1.57 0.00 0.00 175.55 175.09 3bwo s ILE 94 N -1.18 5.19 -0.10 2.71 1.01 -1.26 -1.10 121.20 126.48 3bwo s ILE 94 Ca 0.35 0.11 0.02 0.00 0.00 0.00 0.00 60.65 61.13 3bwo s ILE 94 Cb -0.21 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.89 3bwo s ILE 94 CO 0.24 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.76 3bwo s VAL 95 N 0.57 1.42 0.25 2.92 1.01 -0.47 -4.71 120.40 121.39 3bwo s VAL 95 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3bwo s VAL 95 Cb -0.12 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3bwo s VAL 95 CO 0.00 0.42 0.44 0.68 0.00 0.00 0.00 175.10 176.64 3bwo s VAL 96 N 0.90 5.18 0.16 2.92 -7.23 -1.26 0.13 120.40 121.20 3bwo s VAL 96 Ca -0.09 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.41 3bwo s VAL 96 Cb -0.15 -3.79 0.04 0.00 0.56 0.00 0.00 36.38 33.04 3bwo s VAL 96 CO 0.00 -0.31 0.49 -0.83 -0.31 0.00 0.00 175.10 174.14 3bwo s GLY 97 N -3.55 -0.27 -1.15 2.32 0.00 -0.62 -4.90 107.32 99.15 3bwo s GLY 97 Ca 0.38 -0.01 -0.24 0.00 0.00 0.00 0.00 44.72 44.85 3bwo s GLY 97 CO 0.31 -0.20 1.98 -1.59 0.00 0.00 0.00 173.10 173.60 3bwo s THR 98 N -3.82 3.43 0.01 0.90 2.01 -1.26 -2.41 115.64 114.49 3bwo s THR 98 Ca 0.05 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.33 3bwo s THR 98 Cb 0.00 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.09 3bwo s THR 98 CO -0.08 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 173.67 3bwo n GLY 99 N 5.91 -2.61 0.27 4.40 0.00 -0.65 -3.81 105.19 108.71 3bwo n GLY 99 Ca 0.44 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 45.03 3bwo n GLY 99 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3bwo h SER 100 N -0.01 0.39 -0.81 1.61 0.87 -1.81 -2.57 113.55 111.22 3bwo h SER 100 Ca -0.00 -0.05 0.19 0.00 -1.23 0.00 0.00 61.79 60.70 3bwo h SER 100 Cb 0.01 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3bwo h SER 100 CO 0.00 0.42 0.55 0.00 -0.53 0.00 0.00 176.83 177.27 3bwo h THR 101 N 0.42 0.70 0.25 2.23 1.03 -1.96 0.42 112.91 116.01 3bwo h THR 101 Ca 0.10 -0.10 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 3bwo h THR 101 Cb 0.20 0.37 0.04 0.00 -1.07 0.00 0.00 68.15 67.69 3bwo h THR 101 CO -0.00 0.06 -1.48 -0.61 -0.01 0.00 0.00 175.52 173.48 3bwo h GLN 102 N 0.30 0.53 -0.36 0.00 4.15 -1.56 -3.10 115.11 115.07 3bwo h GLN 102 Ca 0.41 -0.91 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3bwo h GLN 102 Cb 1.13 0.34 -0.02 0.00 0.21 0.00 0.00 27.48 29.14 3bwo h GLN 102 CO -0.11 1.43 0.23 -0.07 -1.93 0.00 0.00 178.83 178.38 3bwo h LEU 103 N 0.14 0.42 -1.36 -2.39 4.07 -1.09 -0.66 115.31 114.43 3bwo h LEU 103 Ca -0.25 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.74 3bwo h LEU 103 Cb 2.17 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 43.76 3bwo h LEU 103 CO 0.27 0.32 0.48 0.00 -1.08 0.00 0.00 178.44 178.43 3bwo h GLN 105 N 0.79 0.00 -0.05 0.00 4.20 -1.37 -2.30 115.11 116.38 3bwo h GLN 105 Ca 0.31 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.81 3bwo h GLN 105 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3bwo h GLN 105 CO -0.10 0.33 -0.84 0.00 -0.67 0.00 0.00 178.83 177.55 3bwo h ALA 106 N 1.67 0.46 -0.26 3.87 0.00 0.81 -1.75 119.26 124.06 3bwo h ALA 106 Ca -0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 3bwo h ALA 106 Cb 1.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3bwo h ALA 106 CO 0.04 0.78 -0.43 0.00 0.00 0.00 0.00 179.25 179.64 3bwo h ALA 107 N 0.81 0.40 -0.53 0.00 0.00 -0.69 -0.40 119.26 118.85 3bwo h ALA 107 Ca -0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 3bwo h ALA 107 Cb 1.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3bwo h ALA 107 CO 0.15 0.53 0.04 0.28 0.00 0.00 0.00 179.25 180.24 3bwo h VAL 108 N 0.49 1.26 0.19 0.00 2.07 -1.45 -0.56 116.25 118.25 3bwo h VAL 108 Ca 0.02 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3bwo h VAL 108 Cb 1.03 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3bwo h VAL 108 CO 0.10 0.37 -0.09 -0.74 0.02 0.00 0.00 177.57 177.22 3bwo h HIS 109 N 0.79 -0.24 -0.17 1.57 6.17 -1.30 -2.18 115.15 119.78 3bwo h HIS 109 Ca 0.16 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.26 3bwo h HIS 109 Cb 0.47 0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.45 3bwo h HIS 109 CO 0.04 -0.01 -0.05 0.00 0.71 0.00 0.00 177.93 178.62 3bwo h ALA 110 N 0.32 0.10 -0.53 5.26 0.00 -0.99 0.17 119.26 123.59 3bwo h ALA 110 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3bwo h ALA 110 Cb 0.34 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3bwo h ALA 110 CO 0.04 -0.49 0.23 -0.07 0.00 0.00 0.00 179.25 178.96 3bwo h LEU 111 N -0.02 0.68 -0.56 0.00 3.38 -1.14 -1.50 115.31 116.15 3bwo h LEU 111 Ca 0.08 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3bwo h LEU 111 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3bwo h LEU 111 CO -0.18 0.60 -0.67 0.28 0.09 0.00 0.00 178.44 178.56 3bwo h SER 112 N 0.75 0.29 -0.28 -0.43 0.02 -0.70 -2.09 113.55 111.10 3bwo h SER 112 Ca 0.18 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 3bwo h SER 112 Cb 0.12 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3bwo h SER 112 CO -0.02 0.87 -0.11 0.28 -1.14 0.00 0.00 176.83 176.71 3bwo h SER 113 N 0.17 0.68 0.64 3.07 0.02 -0.00 -2.78 113.55 115.35 3bwo h SER 113 Ca -0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3bwo h SER 113 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3bwo h SER 113 CO 0.10 0.82 -0.35 0.18 -1.14 0.00 0.00 176.83 176.44 3bwo n LEU 114 N -4.18 0.36 -4.71 5.07 4.77 -0.63 -4.93 117.00 112.76 3bwo n LEU 114 Ca 0.01 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.81 3bwo n LEU 114 Cb 0.35 -0.32 0.12 0.00 -2.33 0.00 0.00 43.42 41.24 3bwo n LEU 114 CO 0.42 0.09 0.72 0.00 -1.33 0.00 0.00 177.39 177.29 3bwo s ALA 115 N -2.99 1.90 -0.34 -1.18 0.00 -0.80 -4.93 121.76 113.41 3bwo s ALA 115 Ca 0.12 0.60 0.26 0.00 0.00 0.00 0.00 51.96 52.94 3bwo s ALA 115 Cb 0.18 -3.41 0.61 0.00 0.00 0.00 0.00 23.12 20.50 3bwo s ALA 115 CO 0.65 -2.19 1.71 0.07 0.00 0.00 0.00 175.76 175.99 3bwo h ARG 116 N -1.13 0.00 -2.82 0.00 0.11 -1.91 -3.46 114.38 105.17 3bwo h ARG 116 Ca -0.45 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.57 3bwo h ARG 116 Cb 1.27 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.18 3bwo h ARG 116 CO 0.47 0.00 0.01 -1.54 0.10 0.00 0.00 179.97 179.00 3bwo s SER 117 N -5.93 -0.41 0.14 0.08 1.04 -1.26 -5.15 113.70 102.20 3bwo s SER 117 Ca 0.06 0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.70 3bwo s SER 117 Cb 0.06 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3bwo s SER 117 CO 0.63 -0.70 -0.14 -1.10 0.98 0.00 0.00 173.24 172.91 3bwo s GLN 118 N -2.42 1.09 0.26 4.02 -0.21 -1.26 -4.28 119.66 116.86 3bwo s GLN 118 Ca -0.05 -1.32 -0.29 0.00 0.02 0.00 0.00 55.36 53.72 3bwo s GLN 118 Cb -0.01 -0.94 -0.09 0.00 1.00 0.00 0.00 33.01 32.97 3bwo s GLN 118 CO -0.02 0.17 0.97 -1.25 -2.12 0.00 0.00 175.29 173.05 3bwo s PRO 119 N -2.90 4.77 0.05 2.91 0.04 -1.23 -5.02 135.00 133.62 3bwo s PRO 119 Ca 0.12 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 3bwo s PRO 119 Cb -0.04 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 3bwo s PRO 119 CO 0.04 0.42 0.91 0.08 0.04 0.00 0.00 177.00 178.48 3bwo s VAL 120 N -1.24 4.72 0.14 -0.36 1.01 -0.91 -4.73 120.40 119.03 3bwo s VAL 120 Ca 0.43 1.92 -0.30 0.00 0.00 0.00 0.00 61.98 64.03 3bwo s VAL 120 Cb -0.26 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 3bwo s VAL 120 CO 0.33 0.27 1.19 -0.44 0.00 0.00 0.00 175.10 176.44 3bwo s SER 121 N 0.40 7.10 -0.12 3.32 0.01 -0.68 -0.78 113.70 122.95 3bwo s SER 121 Ca 0.46 2.15 0.03 0.00 1.31 0.00 0.00 55.95 59.90 3bwo s SER 121 Cb -0.21 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.42 3bwo s SER 121 CO 0.27 -0.39 -0.22 -0.69 0.41 0.00 0.00 173.24 172.62 3bwo s VAL 122 N 0.30 1.98 0.13 3.43 1.01 0.43 0.19 120.40 127.88 3bwo s VAL 122 Ca 0.54 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3bwo s VAL 122 Cb -0.31 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3bwo s VAL 122 CO 0.34 0.54 0.09 0.68 0.00 0.00 0.00 175.10 176.75 3bwo s VAL 123 N 0.63 0.10 -0.23 2.92 -7.23 -0.65 -0.55 120.40 115.39 3bwo s VAL 123 Ca -0.12 -1.81 -0.14 0.00 -1.81 0.00 0.00 61.98 58.10 3bwo s VAL 123 Cb -0.16 -1.98 0.07 0.00 0.56 0.00 0.00 36.38 34.86 3bwo s VAL 123 CO 0.03 -0.46 0.57 0.00 -0.31 0.00 0.00 175.10 174.93 3bwo s ALA 124 N -4.03 -1.51 0.27 1.32 0.00 -1.05 -0.89 121.76 115.87 3bwo s ALA 124 Ca 0.22 2.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.88 3bwo s ALA 124 Cb 0.07 -1.19 -0.14 0.00 0.00 0.00 0.00 23.12 21.87 3bwo s ALA 124 CO 0.01 -0.32 1.23 0.00 0.00 0.00 0.00 175.76 176.67 3bwo n ALA 125 N 4.14 0.49 -2.24 0.00 0.00 -1.26 -2.19 120.51 119.44 3bwo n ALA 125 Ca -0.21 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3bwo n ALA 125 Cb 0.57 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 3bwo n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bwo s ALA 126 N -0.60 3.57 0.59 0.00 0.00 -1.26 -3.52 121.76 120.53 3bwo s ALA 126 Ca 0.63 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 3bwo s ALA 126 Cb -0.68 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3bwo s ALA 126 CO 0.56 0.39 1.08 -1.25 0.00 0.00 0.00 175.76 176.53 3bwo s PRO 127 N -1.17 3.25 0.26 0.00 0.04 -1.26 -5.05 135.00 131.08 3bwo s PRO 127 Ca 0.30 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.68 3bwo s PRO 127 Cb -0.20 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3bwo s PRO 127 CO 0.20 -0.88 0.06 -0.59 0.04 0.00 0.00 177.00 175.83 3bwo s PHE 128 N -2.29 1.64 -0.52 0.56 -0.12 0.05 -4.67 117.98 112.62 3bwo s PHE 128 Ca 0.66 -1.05 -0.27 0.00 -0.05 0.00 0.00 56.93 56.23 3bwo s PHE 128 Cb -0.18 -0.99 -0.04 0.00 -0.63 0.00 0.00 43.02 41.18 3bwo s PHE 128 CO 0.35 -0.16 2.06 -0.47 -0.05 0.00 0.00 175.22 176.95 3bwo s TYR 129 N -3.54 1.45 0.35 3.49 5.04 -0.14 -4.31 117.35 119.68 3bwo s TYR 129 Ca 0.34 1.03 0.16 0.00 -2.44 0.00 0.00 57.07 56.16 3bwo s TYR 129 Cb 0.07 -3.91 1.14 0.00 0.35 0.00 0.00 41.96 39.62 3bwo s TYR 129 CO 0.12 -2.54 1.64 0.66 -1.34 0.00 0.00 175.55 174.09 3bwo h SER 130 N 16.36 0.41 -0.02 4.32 4.64 -1.85 0.22 113.55 137.63 3bwo h SER 130 Ca -0.27 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3bwo h SER 130 Cb 1.20 0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3bwo h SER 130 CO 1.16 -0.23 0.06 0.74 -0.87 0.00 0.00 176.83 177.69 3bwo h THR 131 N 0.21 0.14 -0.57 2.95 2.02 -1.89 -1.13 112.91 114.65 3bwo h THR 131 Ca 0.76 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.93 3bwo h THR 131 Cb 1.81 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 3bwo h THR 131 CO -0.67 0.00 0.30 1.88 0.37 0.00 0.00 175.52 177.41 3bwo h TYR 132 N 0.00 0.76 -0.39 3.16 0.05 -0.94 -2.51 116.97 117.09 3bwo h TYR 132 Ca 0.01 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3bwo h TYR 132 Cb 0.13 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3bwo h TYR 132 CO 0.00 0.54 0.14 0.28 -1.05 0.00 0.00 178.16 178.07 3bwo h VAL 133 N 0.79 1.21 -0.06 -2.88 2.07 -1.37 -2.61 116.25 113.39 3bwo h VAL 133 Ca 0.20 -0.66 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 3bwo h VAL 133 Cb 0.03 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3bwo h VAL 133 CO -0.03 0.23 -0.71 1.05 0.02 0.00 0.00 177.57 178.14 3bwo h GLU 134 N 0.49 0.29 -0.36 1.57 4.11 -1.65 -3.12 114.58 115.91 3bwo h GLU 134 Ca 0.13 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 3bwo h GLU 134 Cb 0.23 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3bwo h GLU 134 CO -0.01 0.88 0.13 0.93 0.07 0.00 0.00 179.01 181.01 3bwo h GLU 135 N 0.20 0.50 -0.62 1.06 5.08 -1.34 -0.45 114.58 119.01 3bwo h GLU 135 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3bwo h GLU 135 Cb 1.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3bwo h GLU 135 CO 0.11 0.43 0.00 0.25 -1.00 0.00 0.00 179.01 178.80 3bwo n THR 136 N -4.39 2.29 0.00 1.13 -2.24 -0.99 -4.57 114.28 105.51 3bwo n THR 136 Ca 0.02 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 3bwo n THR 136 Cb 0.15 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3bwo n THR 136 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3bwo n THR 137 N 0.90 0.00 -0.15 4.28 -1.04 -0.99 -4.33 114.28 112.96 3bwo n THR 137 Ca 0.27 0.00 0.28 0.00 -2.04 0.00 0.00 64.05 62.56 3bwo n THR 137 Cb 1.05 -0.34 0.67 0.00 -1.82 0.00 0.00 70.33 69.88 3bwo n THR 137 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 3bwo h TYR 138 N 0.00 0.00 -0.01 -1.42 -0.00 -1.33 -0.69 116.97 113.52 3bwo h TYR 138 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3bwo h TYR 138 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.99 3bwo h TYR 138 CO 0.00 0.00 -0.55 1.33 -0.00 0.00 0.00 178.16 178.94 3bwo n VAL 139 N -3.72 0.00 -3.55 -0.90 0.24 -1.26 -5.00 118.33 104.14 3bwo n VAL 139 Ca 0.19 -0.23 -0.20 0.00 -2.04 0.00 0.00 64.34 62.06 3bwo n VAL 139 Cb 1.12 1.17 0.06 0.00 -1.47 0.00 0.00 33.84 34.71 3bwo n VAL 139 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bwo n ARG 140 N -0.45 -4.53 -2.95 7.34 1.74 -0.27 -4.94 116.66 112.61 3bwo n ARG 140 Ca 0.07 0.71 -0.39 0.00 -0.77 0.00 0.00 57.85 57.46 3bwo n ARG 140 Cb 0.38 -5.36 -0.06 0.00 -1.02 0.00 0.00 32.46 26.40 3bwo n ARG 140 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3bwo s SER 141 N -4.11 7.42 0.00 0.55 0.15 -1.26 -4.94 113.70 111.52 3bwo s SER 141 Ca 0.13 1.68 0.30 0.00 0.70 0.00 0.00 55.95 58.76 3bwo s SER 141 Cb -0.03 -2.51 1.39 0.00 -1.71 0.00 0.00 66.02 63.15 3bwo s SER 141 CO 0.78 0.20 1.94 0.61 1.20 0.00 0.00 173.24 177.97 3bwo n GLY 142 N 1.60 -0.61 0.14 9.45 0.00 -1.26 -3.67 105.19 110.85 3bwo n GLY 142 Ca -0.05 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3bwo n GLY 142 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3bwo h MET 143 N 1.04 0.00 -2.74 1.61 2.86 -1.95 -3.25 114.93 112.50 3bwo h MET 143 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3bwo h MET 143 Cb 0.29 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.86 3bwo h MET 143 CO 0.00 0.00 0.32 1.52 1.06 0.00 0.00 176.91 179.81 3bwo s TYR 144 N -3.16 -0.29 -0.10 -0.22 -0.85 -1.24 -2.15 117.35 109.34 3bwo s TYR 144 Ca 0.09 -0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.57 3bwo s TYR 144 Cb 0.10 0.63 0.04 0.00 0.38 0.00 0.00 41.96 43.11 3bwo s TYR 144 CO 0.60 -0.94 0.23 0.21 -1.52 0.00 0.00 175.55 174.13 3bwo s LYS 145 N -3.61 0.19 -0.42 -3.49 2.20 0.04 -4.72 119.74 109.94 3bwo s LYS 145 Ca 0.08 0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 3bwo s LYS 145 Cb -0.03 -0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 3bwo s LYS 145 CO -0.02 -0.14 1.43 -0.46 -0.36 0.00 0.00 175.35 175.80 3bwo s TRP 146 N 1.08 2.35 -1.67 4.03 -0.11 -1.26 -0.42 118.94 122.93 3bwo s TRP 146 Ca -0.08 0.66 0.24 0.00 1.22 0.00 0.00 56.10 58.14 3bwo s TRP 146 Cb -0.09 -4.31 0.28 0.00 -1.50 0.00 0.00 33.47 27.84 3bwo s TRP 146 CO -0.07 -2.03 1.26 0.39 -4.62 0.00 0.00 176.95 171.88 3bwo n GLU 147 N 8.15 0.77 0.00 5.86 -0.58 0.28 -4.92 120.64 130.21 3bwo n GLU 147 Ca 0.17 -0.57 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 3bwo n GLU 147 Cb 0.48 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3bwo n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bwo n GLY 148 N 1.41 -0.21 3.52 0.62 0.00 -1.23 -4.95 105.19 104.35 3bwo n GLY 148 Ca 0.09 -1.44 -0.56 0.00 0.00 0.00 0.00 46.02 44.11 3bwo n GLY 148 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bwo n ASP 149 N 0.56 0.45 0.11 1.61 -0.08 -1.26 -2.53 116.55 115.42 3bwo n ASP 149 Ca 0.00 1.15 -0.04 0.00 -1.51 0.00 0.00 54.79 54.39 3bwo n ASP 149 Cb 0.00 -1.01 0.09 0.00 2.34 0.00 0.00 41.12 42.54 3bwo n ASP 149 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bwo h ALA 150 N 3.36 0.79 0.31 -1.67 0.00 -1.75 -3.35 119.26 116.96 3bwo h ALA 150 Ca -0.49 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 53.78 3bwo h ALA 150 Cb 1.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3bwo h ALA 150 CO 0.68 0.87 -0.44 -1.49 0.00 0.00 0.00 179.25 178.87 3bwo h TRP 151 N 0.04 -1.25 -0.62 0.00 4.06 -1.88 -2.56 115.95 113.74 3bwo h TRP 151 Ca -0.01 0.02 -0.36 0.00 2.06 0.00 0.00 58.89 60.59 3bwo h TRP 151 Cb 1.27 0.50 -0.13 0.00 -1.00 0.00 0.00 29.16 29.80 3bwo h TRP 151 CO 0.01 -0.55 0.09 0.41 -3.56 0.00 0.00 178.44 174.83 3bwo n GLY 152 N -1.46 3.79 3.36 1.49 0.00 -1.25 -4.85 105.19 106.27 3bwo n GLY 152 Ca -0.09 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 3bwo n GLY 152 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bwo s PHE 153 N -0.67 3.17 0.00 1.61 2.19 -0.97 -4.86 117.98 118.45 3bwo s PHE 153 Ca 0.59 -0.94 0.00 0.00 0.33 0.00 0.00 56.93 56.92 3bwo s PHE 153 Cb 0.34 -2.28 0.00 0.00 -1.31 0.00 0.00 43.02 39.77 3bwo s PHE 153 CO -0.13 -0.57 0.48 -0.40 1.83 0.00 0.00 175.22 176.44 3bwo n ASP 154 N 4.89 0.71 -4.69 6.13 5.75 -1.26 -5.05 116.55 123.03 3bwo n ASP 154 Ca -0.14 -1.23 -0.35 0.00 -0.01 0.00 0.00 54.79 53.06 3bwo n ASP 154 Cb 0.48 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.67 3bwo n ASP 154 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3bwo n LYS 155 N -0.12 0.49 -2.45 0.11 4.81 -1.26 -5.02 118.16 114.72 3bwo n LYS 155 Ca 0.00 0.24 -0.15 0.00 -0.87 0.00 0.00 58.31 57.53 3bwo n LYS 155 Cb 0.25 -2.43 0.05 0.00 0.02 0.00 0.00 35.03 32.92 3bwo n LYS 155 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3bwo n LYS 156 N -2.69 0.65 0.00 1.64 4.01 -1.26 -5.03 118.16 115.47 3bwo n LYS 156 Ca 0.14 -2.32 0.00 0.00 -0.51 0.00 0.00 58.31 55.62 3bwo n LYS 156 Cb 0.50 -0.21 0.00 0.00 -0.51 0.00 0.00 35.03 34.81 3bwo n LYS 156 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3bwo n GLY 157 N -0.35 -2.04 3.77 0.72 0.00 -1.26 -4.90 105.19 101.12 3bwo n GLY 157 Ca 0.12 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3bwo n GLY 157 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3bwo s PRO 158 N 0.00 3.93 0.13 1.61 0.02 -1.26 -4.82 135.00 134.61 3bwo s PRO 158 Ca 0.00 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.13 3bwo s PRO 158 Cb 0.00 -2.76 0.02 0.00 0.02 0.00 0.00 34.50 31.78 3bwo s PRO 158 CO 0.00 -0.55 0.35 1.52 -0.33 0.00 0.00 177.00 177.99 3bwo s TYR 159 N -1.23 -0.03 -0.06 6.54 1.13 -1.26 -1.68 117.35 120.75 3bwo s TYR 159 Ca 0.57 -0.32 0.02 0.00 -1.41 0.00 0.00 57.07 55.93 3bwo s TYR 159 Cb -0.40 0.16 0.01 0.00 -1.10 0.00 0.00 41.96 40.63 3bwo s TYR 159 CO 0.52 -0.69 -0.11 0.42 -2.51 0.00 0.00 175.55 173.17 3bwo s ILE 160 N -3.85 1.05 -0.11 -3.49 1.01 0.51 -1.01 121.20 115.31 3bwo s ILE 160 Ca 0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3bwo s ILE 160 Cb 0.02 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3bwo s ILE 160 CO -0.09 0.34 -0.05 -0.70 0.00 0.00 0.00 174.94 174.44 3bwo s GLU 161 N 0.73 3.22 -0.25 2.79 2.12 -0.19 -1.63 118.70 125.49 3bwo s GLU 161 Ca -0.14 -0.52 -0.11 0.00 0.36 0.00 0.00 54.97 54.57 3bwo s GLU 161 Cb -0.15 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 3bwo s GLU 161 CO 0.03 0.47 0.19 -0.51 -0.54 0.00 0.00 175.26 174.89 3bwo s LEU 162 N -0.26 4.10 -0.27 2.70 1.43 -0.07 -0.97 118.68 125.34 3bwo s LEU 162 Ca 0.04 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3bwo s LEU 162 Cb -0.13 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 44.00 3bwo s LEU 162 CO 0.02 0.03 -0.07 -0.69 0.23 0.00 0.00 176.35 175.87 3bwo s VAL 163 N 1.23 2.57 -0.24 -1.59 1.01 0.09 -4.41 120.40 119.06 3bwo s VAL 163 Ca 0.08 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 3bwo s VAL 163 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3bwo s VAL 163 CO 0.06 0.01 0.12 -0.89 0.00 0.00 0.00 175.10 174.40 3bwo s THR 164 N 1.20 4.94 -0.24 3.92 2.01 -1.26 0.05 115.64 126.25 3bwo s THR 164 Ca -0.05 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 3bwo s THR 164 Cb -0.19 -3.30 0.13 0.00 0.01 0.00 0.00 72.50 69.15 3bwo s THR 164 CO -0.04 0.34 0.43 -0.55 -0.69 0.00 0.00 174.62 174.11 3bwo s SER 165 N 1.25 -0.16 0.22 3.53 0.15 -0.76 -2.29 113.70 115.64 3bwo s SER 165 Ca 0.06 0.54 -0.32 0.00 0.70 0.00 0.00 55.95 56.93 3bwo s SER 165 Cb -0.14 1.36 -0.14 0.00 -1.71 0.00 0.00 66.02 65.40 3bwo s SER 165 CO 0.05 -0.28 1.45 -2.65 1.20 0.00 0.00 173.24 173.02 3bwo n PRO 166 N 5.38 2.06 -2.24 5.44 -0.02 -1.26 -4.24 135.00 140.12 3bwo n PRO 166 Ca -0.05 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 3bwo n PRO 166 Cb 0.50 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3bwo n PRO 166 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3bwo s ASN 167 N 0.45 5.99 -0.19 2.55 2.47 0.16 -4.59 114.94 121.77 3bwo s ASN 167 Ca 0.71 2.27 -0.04 0.00 0.42 0.00 0.00 52.86 56.23 3bwo s ASN 167 Cb -0.66 -2.60 -0.02 0.00 -1.45 0.00 0.00 41.25 36.53 3bwo s ASN 167 CO 0.47 -1.04 -0.04 0.21 -3.72 0.00 0.00 177.10 172.97 3bwo s ASN 168 N -1.49 4.47 -0.05 -4.21 3.84 -1.26 0.28 114.94 116.53 3bwo s ASN 168 Ca 0.67 -0.29 0.13 0.00 0.21 0.00 0.00 52.86 53.58 3bwo s ASN 168 Cb -0.27 -1.75 -0.23 0.00 -0.55 0.00 0.00 41.25 38.45 3bwo s ASN 168 CO 0.32 0.06 0.64 -0.81 -2.79 0.00 0.00 177.10 174.53 3bwo n PRO 169 N 4.25 0.63 0.16 0.43 -0.04 -1.26 -0.97 135.00 138.20 3bwo n PRO 169 Ca -0.18 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 3bwo n PRO 169 Cb 0.52 -1.78 0.58 0.00 -0.04 0.00 0.00 33.50 32.77 3bwo n PRO 169 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3bwo h ASP 170 N 0.00 0.00 -0.33 3.54 3.04 -1.89 -3.39 116.42 117.38 3bwo h ASP 170 Ca -0.29 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.36 3bwo h ASP 170 Cb 2.00 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 40.24 3bwo h ASP 170 CO 0.07 0.00 -0.13 0.61 -2.04 0.00 0.00 179.24 177.76 3bwo n GLY 171 N -0.60 0.91 3.81 7.15 0.00 0.14 -4.77 105.19 111.83 3bwo n GLY 171 Ca 0.00 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3bwo n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bwo s THR 172 N -2.24 4.30 -0.11 2.61 2.01 -1.26 -4.36 115.64 116.60 3bwo s THR 172 Ca 0.00 1.52 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 3bwo s THR 172 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3bwo s THR 172 CO 0.00 -0.23 1.01 -0.63 -0.69 0.00 0.00 174.62 174.08 3bwo s ILE 173 N -2.06 4.78 0.43 1.82 -1.09 -1.26 -0.67 121.20 123.15 3bwo s ILE 173 Ca 0.60 2.04 0.06 0.00 -2.23 0.00 0.00 60.65 61.13 3bwo s ILE 173 Cb -0.11 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.39 3bwo s ILE 173 CO 0.16 -0.01 0.08 -0.13 -1.23 0.00 0.00 174.94 173.81 3bwo s ARG 174 N 2.08 2.09 0.18 2.79 0.52 -1.26 -4.99 118.95 120.36 3bwo s ARG 174 Ca 0.48 -2.05 -0.15 0.00 -0.52 0.00 0.00 55.73 53.49 3bwo s ARG 174 Cb -0.18 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.55 3bwo s ARG 174 CO 0.17 -0.13 0.46 -2.00 0.02 0.00 0.00 175.30 173.82 3bwo s GLU 175 N -3.82 1.31 0.29 3.54 2.56 -1.26 -4.89 118.70 116.43 3bwo s GLU 175 Ca 0.34 -0.94 -0.30 0.00 0.00 0.00 0.00 54.97 54.07 3bwo s GLU 175 Cb 0.06 0.48 -0.13 0.00 2.00 0.00 0.00 34.13 36.55 3bwo s GLU 175 CO 0.18 -0.54 1.40 0.25 -0.56 0.00 0.00 175.26 175.99 3bwo n THR 176 N -0.30 1.36 0.05 -1.70 -2.24 -1.26 -4.91 114.28 105.27 3bwo n THR 176 Ca -0.10 -0.34 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 3bwo n THR 176 Cb 0.63 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 3bwo n THR 176 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3bwo n VAL 177 N 1.36 0.00 0.00 2.28 0.24 -1.26 -5.21 118.33 115.74 3bwo n VAL 177 Ca 0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3bwo n VAL 177 Cb 0.34 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 3bwo n VAL 177 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3bwo n VAL 178 N 0.00 0.00 0.00 3.34 3.14 -1.26 -4.83 118.33 118.72 3bwo n VAL 178 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3bwo n VAL 178 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 3bwo n VAL 178 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3bwo n ALA 186 N -3.00 0.00 -2.41 1.55 0.00 -1.26 -5.19 120.51 110.21 3bwo n ALA 186 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3bwo n ALA 186 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3bwo n ALA 186 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3bwo s LYS 187 N 0.00 1.50 -0.10 0.00 -0.14 -0.18 -4.99 119.74 115.83 3bwo s LYS 187 Ca 0.00 -1.70 -0.08 0.00 -1.36 0.00 0.00 55.97 52.83 3bwo s LYS 187 Cb 0.00 -1.32 0.03 0.00 -1.68 0.00 0.00 37.83 34.86 3bwo s LYS 187 CO 0.00 0.18 0.25 0.54 -0.76 0.00 0.00 175.35 175.56 3bwo s VAL 188 N -2.85 -0.01 -0.17 3.17 0.11 -1.26 -1.02 120.40 118.37 3bwo s VAL 188 Ca 0.27 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.34 3bwo s VAL 188 Cb -0.00 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 3bwo s VAL 188 CO 0.11 0.01 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.11 3bwo s ILE 189 N 0.34 2.57 -0.27 7.04 1.01 -0.14 -4.47 121.20 127.28 3bwo s ILE 189 Ca -0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 3bwo s ILE 189 Cb -0.03 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3bwo s ILE 189 CO -0.01 0.51 0.28 -1.00 0.00 0.00 0.00 174.94 174.71 3bwo s HIS 190 N 1.09 3.25 -0.52 3.97 3.76 -0.67 -0.73 115.29 125.45 3bwo s HIS 190 Ca -0.00 0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.06 3bwo s HIS 190 Cb -0.14 -2.46 0.12 0.00 1.11 0.00 0.00 32.58 31.21 3bwo s HIS 190 CO -0.05 -0.15 0.45 0.34 -0.85 0.00 0.00 174.74 174.48 3bwo s ASP 191 N 1.58 6.06 -0.70 1.40 -1.08 0.11 -0.24 116.67 123.79 3bwo s ASP 191 Ca 0.11 -1.78 -0.00 0.00 -0.52 0.00 0.00 52.55 50.36 3bwo s ASP 191 Cb -0.16 -2.16 0.40 0.00 -1.46 0.00 0.00 42.92 39.54 3bwo s ASP 191 CO 0.10 -0.80 1.85 0.49 0.52 0.00 0.00 175.17 177.33 3bwo n PHE 192 N 5.16 3.10 -0.15 -5.34 3.72 -0.41 -1.83 117.46 121.70 3bwo n PHE 192 Ca -0.12 -2.62 -0.04 0.00 -0.05 0.00 0.00 57.45 54.62 3bwo n PHE 192 Cb 0.40 -1.06 0.03 0.00 -0.94 0.00 0.00 39.48 37.92 3bwo n PHE 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bwo h ALA 193 N 2.60 0.25 -0.66 4.37 0.00 -1.83 -2.48 119.26 121.52 3bwo h ALA 193 Ca 0.53 0.18 -0.26 0.00 0.00 0.00 0.00 54.91 55.36 3bwo h ALA 193 Cb 0.48 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 18.52 3bwo h ALA 193 CO 1.36 -0.48 0.25 0.66 0.00 0.00 0.00 179.25 181.04 3bwo n TYR 194 N -5.36 2.10 -2.11 0.00 4.01 -1.26 -4.57 117.16 109.97 3bwo n TYR 194 Ca 0.04 -1.43 -0.41 0.00 -0.16 0.00 0.00 57.90 55.93 3bwo n TYR 194 Cb 0.27 -0.66 -0.00 0.00 -0.31 0.00 0.00 39.34 38.63 3bwo n TYR 194 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3bwo n TYR 195 N -0.70 2.83 -4.13 -0.72 9.36 -0.93 -4.34 117.16 118.53 3bwo n TYR 195 Ca 0.42 -2.83 -0.15 0.00 3.32 0.00 0.00 57.90 58.65 3bwo n TYR 195 Cb 1.32 -2.00 -0.11 0.00 -0.63 0.00 0.00 39.34 37.92 3bwo n TYR 195 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3bwo s TRP 196 N 0.26 0.97 0.44 2.98 0.52 -1.26 -4.95 118.94 117.89 3bwo s TRP 196 Ca 0.47 -0.52 0.25 0.00 0.02 0.00 0.00 56.10 56.31 3bwo s TRP 196 Cb 0.13 -0.55 1.27 0.00 -1.15 0.00 0.00 33.47 33.17 3bwo s TRP 196 CO -0.04 -0.01 1.74 -1.35 0.02 0.00 0.00 176.95 177.31 3bwo h PRO 197 N 4.20 0.23 0.00 4.98 0.11 -1.91 0.84 132.00 140.45 3bwo h PRO 197 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3bwo h PRO 197 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bwo h PRO 197 CO 0.43 0.16 0.00 -2.39 -0.21 0.00 0.00 178.00 175.99 3bwo n HIS 198 N -4.55 0.00 -0.08 0.65 1.44 -1.26 -3.77 115.22 107.64 3bwo n HIS 198 Ca 0.29 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.83 3bwo n HIS 198 Cb 1.10 -0.38 -0.07 0.00 0.12 0.00 0.00 29.99 30.77 3bwo n HIS 198 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3bwo n TYR 199 N -1.38 0.00 -3.78 -1.40 4.01 0.20 -4.10 117.16 110.71 3bwo n TYR 199 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 3bwo n TYR 199 Cb 0.26 -0.62 -0.07 0.00 -0.31 0.00 0.00 39.34 38.59 3bwo n TYR 199 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3bwo s THR 200 N -2.32 0.10 0.23 -0.72 -1.32 -0.68 -0.74 115.64 110.20 3bwo s THR 200 Ca -0.23 -0.80 -0.30 0.00 -1.21 0.00 0.00 61.69 59.15 3bwo s THR 200 Cb 0.08 -1.01 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 3bwo s THR 200 CO 0.32 -0.44 1.24 -2.16 -2.21 0.00 0.00 174.62 171.37 3bwo s PRO 201 N -2.84 4.46 -1.00 7.08 0.04 -1.26 -3.76 135.00 137.71 3bwo s PRO 201 Ca -0.03 1.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 3bwo s PRO 201 Cb 0.00 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.40 3bwo s PRO 201 CO -0.05 -0.11 1.50 0.42 0.04 0.00 0.00 177.00 178.79 3bwo s ILE 202 N -0.38 3.86 0.05 0.56 -1.09 -1.26 -4.81 121.20 118.13 3bwo s ILE 202 Ca 0.52 -0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 58.09 3bwo s ILE 202 Cb -0.35 -4.95 -0.20 0.00 -1.58 0.00 0.00 42.46 35.38 3bwo s ILE 202 CO 0.41 -1.83 1.20 0.71 -1.23 0.00 0.00 174.94 174.20 3bwo h THR 203 N 6.82 1.35 -3.79 2.92 1.35 -1.93 -1.14 112.91 118.50 3bwo h THR 203 Ca 0.17 -1.98 -0.13 0.00 -0.55 0.00 0.00 66.41 63.92 3bwo h THR 203 Cb 1.01 2.30 -0.18 0.00 -1.73 0.00 0.00 68.15 69.55 3bwo h THR 203 CO 1.40 0.60 -0.54 0.00 -0.25 0.00 0.00 175.52 176.73 3bwo s ARG 204 N -3.51 0.54 -0.94 4.72 1.70 -1.26 -4.82 118.95 115.39 3bwo s ARG 204 Ca -0.12 -0.70 -0.21 0.00 -0.47 0.00 0.00 55.73 54.23 3bwo s ARG 204 Cb 0.06 0.21 0.09 0.00 -0.57 0.00 0.00 34.95 34.74 3bwo s ARG 204 CO 0.85 -0.13 1.26 0.50 -1.08 0.00 0.00 175.30 176.70 3bwo s ARG 205 N -2.35 3.54 0.11 3.89 3.52 -1.26 -4.77 118.95 121.63 3bwo s ARG 205 Ca -0.07 -1.35 -0.35 0.00 -0.13 0.00 0.00 55.73 53.83 3bwo s ARG 205 Cb -0.03 -5.02 -0.17 0.00 -1.56 0.00 0.00 34.95 28.17 3bwo s ARG 205 CO -0.03 -1.98 1.09 1.04 -0.81 0.00 0.00 175.30 174.60 3bwo n GLN 206 N 7.77 0.69 -3.04 5.12 1.13 -0.82 -4.49 117.38 123.74 3bwo n GLN 206 Ca 0.25 0.25 -0.17 0.00 -1.94 0.00 0.00 57.00 55.38 3bwo n GLN 206 Cb 0.50 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 3bwo n GLN 206 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3bwo n ASP 207 N 1.96 -0.64 -4.94 1.08 2.03 -1.26 -0.56 116.55 114.23 3bwo n ASP 207 Ca 0.17 -3.02 -0.22 0.00 0.52 0.00 0.00 54.79 52.24 3bwo n ASP 207 Cb 0.19 0.21 0.01 0.00 -0.72 0.00 0.00 41.12 40.80 3bwo n ASP 207 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3bwo s HIS 208 N -0.90 1.95 0.17 -0.67 3.76 -1.26 -5.05 115.29 113.28 3bwo s HIS 208 Ca 0.34 -0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 3bwo s HIS 208 Cb 0.24 -2.10 0.06 0.00 1.11 0.00 0.00 32.58 31.89 3bwo s HIS 208 CO -0.13 -0.55 1.65 -0.44 -0.85 0.00 0.00 174.74 174.43 3bwo h ASP 209 N 0.67 0.92 -3.33 1.40 3.32 -1.90 -3.41 116.42 114.10 3bwo h ASP 209 Ca -0.36 -0.27 -0.53 0.00 0.02 0.00 0.00 57.03 55.89 3bwo h ASP 209 Cb 1.29 -0.25 -0.39 0.00 0.22 0.00 0.00 39.33 40.20 3bwo h ASP 209 CO 0.52 0.96 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.60 3bwo s ILE 210 N -5.18 0.74 -0.17 0.35 1.01 -1.26 -1.38 121.20 115.32 3bwo s ILE 210 Ca -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3bwo s ILE 210 Cb 0.13 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.49 3bwo s ILE 210 CO 0.83 -0.09 -0.19 -0.04 0.00 0.00 0.00 174.94 175.46 3bwo s MET 211 N 1.77 3.05 -0.12 2.79 -1.94 -0.48 -1.67 119.30 122.70 3bwo s MET 211 Ca -0.01 -0.81 -0.07 0.00 -1.71 0.00 0.00 55.69 53.10 3bwo s MET 211 Cb -0.16 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 3bwo s MET 211 CO -0.07 -0.15 0.13 -0.51 -0.01 0.00 0.00 175.02 174.41 3bwo s LEU 212 N 1.17 4.33 0.00 -0.03 1.02 0.66 -0.85 118.68 124.99 3bwo s LEU 212 Ca 0.02 0.44 -0.02 0.00 0.02 0.00 0.00 54.13 54.59 3bwo s LEU 212 Cb -0.14 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 3bwo s LEU 212 CO -0.09 0.41 0.04 -0.36 0.02 0.00 0.00 176.35 176.37 3bwo s PHE 213 N -1.01 0.10 -0.07 0.29 0.08 -0.13 -1.29 117.98 115.95 3bwo s PHE 213 Ca 0.15 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.01 3bwo s PHE 213 Cb -0.12 -0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 3bwo s PHE 213 CO 0.04 -0.16 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.78 3bwo s THR 214 N -0.96 1.28 0.37 0.64 -1.32 -1.26 -0.73 115.64 113.66 3bwo s THR 214 Ca -0.10 -0.57 0.09 0.00 -1.21 0.00 0.00 61.69 59.90 3bwo s THR 214 Cb -0.06 -1.15 0.14 0.00 -1.51 0.00 0.00 72.50 69.92 3bwo s THR 214 CO -0.00 0.39 1.89 0.15 -2.21 0.00 0.00 174.62 174.83 3bwo h PHE 215 N 6.86 0.26 0.00 9.09 -0.00 -1.21 -3.29 116.94 128.66 3bwo h PHE 215 Ca -0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.64 3bwo h PHE 215 Cb 1.19 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 37.07 3bwo h PHE 215 CO 0.48 0.41 0.00 0.43 -0.00 0.00 0.00 178.31 179.63 3bwo n SER 216 N -4.24 0.00 0.00 0.41 7.64 -1.26 -2.80 113.62 113.37 3bwo n SER 216 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3bwo n SER 216 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3bwo n SER 216 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3bwo n ILE 218 N -0.35 0.00 0.93 0.44 5.41 -1.24 -0.43 119.36 124.12 3bwo n ILE 218 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3bwo n ILE 218 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3bwo n ILE 218 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3bwo n THR 219 N 0.00 0.00 -0.23 1.39 -2.24 -1.12 -4.98 114.28 107.10 3bwo n THR 219 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3bwo n THR 219 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3bwo n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bwo n GLY 220 N 1.44 0.62 2.69 3.38 0.00 0.43 -4.77 105.19 108.97 3bwo n GLY 220 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3bwo n GLY 220 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bwo n HIS 221 N -2.00 3.20 0.11 1.61 8.25 -1.20 -4.68 115.22 120.52 3bwo n HIS 221 Ca 0.00 -2.95 -0.03 0.00 -0.26 0.00 0.00 57.72 54.48 3bwo n HIS 221 Cb 0.00 -2.38 0.16 0.00 1.12 0.00 0.00 29.99 28.89 3bwo n HIS 221 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bwo h ALA 222 N 5.73 0.95 0.00 -1.41 0.00 -1.87 -3.13 119.26 119.54 3bwo h ALA 222 Ca 0.58 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bwo h ALA 222 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3bwo h ALA 222 CO 1.80 0.72 0.00 0.41 0.00 0.00 0.00 179.25 182.17 3bwo n GLY 223 N 0.17 -0.93 0.16 0.00 0.00 -1.26 -2.07 105.19 101.26 3bwo n GLY 223 Ca -0.02 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3bwo n GLY 223 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bwo h SER 224 N 0.00 0.00 -6.00 1.61 0.02 -1.94 -3.48 113.55 103.76 3bwo h SER 224 Ca 0.00 -0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 3bwo h SER 224 Cb 0.19 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.82 3bwo h SER 224 CO 0.00 0.00 -0.81 0.54 -1.14 0.00 0.00 176.83 175.42 3bwo n ARG 225 N -2.71 -1.46 -3.97 3.45 5.12 -0.88 -4.84 116.66 111.38 3bwo n ARG 225 Ca 0.05 0.71 -0.21 0.00 -1.93 0.00 0.00 57.85 56.46 3bwo n ARG 225 Cb 0.49 -4.53 -0.17 0.00 -1.16 0.00 0.00 32.46 27.09 3bwo n ARG 225 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bwo s ILE 226 N -3.34 0.47 0.11 0.55 -1.09 -1.26 -1.64 121.20 114.99 3bwo s ILE 226 Ca 0.37 -0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.70 3bwo s ILE 226 Cb -0.11 -0.55 -0.01 0.00 -1.58 0.00 0.00 42.46 40.21 3bwo s ILE 226 CO 0.83 0.24 0.19 -0.83 -1.23 0.00 0.00 174.94 174.14 3bwo s GLY 227 N 1.41 0.24 0.04 6.18 0.00 -1.01 -0.61 107.32 113.56 3bwo s GLY 227 Ca -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.90 3bwo s GLY 227 CO -0.03 -0.87 0.05 0.66 0.00 0.00 0.00 173.10 172.91 3bwo s TRP 228 N -3.90 0.27 -0.00 1.90 -2.14 0.09 -1.59 118.94 113.57 3bwo s TRP 228 Ca 0.09 -0.61 0.07 0.00 2.66 0.00 0.00 56.10 58.31 3bwo s TRP 228 Cb 0.05 -0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 30.20 3bwo s TRP 228 CO -0.08 -0.33 -0.22 0.00 -2.66 0.00 0.00 176.95 173.67 3bwo s ALA 229 N -2.57 1.82 -0.26 2.67 0.00 0.12 -0.96 121.76 122.58 3bwo s ALA 229 Ca -0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 3bwo s ALA 229 Cb -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3bwo s ALA 229 CO -0.05 0.44 0.08 -0.51 0.00 0.00 0.00 175.76 175.72 3bwo s LEU 230 N -0.66 3.54 -0.11 0.00 1.43 -0.03 -1.37 118.68 121.48 3bwo s LEU 230 Ca 0.08 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3bwo s LEU 230 Cb -0.09 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3bwo s LEU 230 CO -0.00 -0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 175.68 3bwo s VAL 231 N 1.61 1.49 -0.09 -1.59 1.01 -0.25 -1.38 120.40 121.20 3bwo s VAL 231 Ca 0.06 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 3bwo s VAL 231 Cb -0.15 -1.36 -0.29 0.00 0.00 0.00 0.00 36.38 34.58 3bwo s VAL 231 CO 0.04 0.44 0.82 0.11 0.00 0.00 0.00 175.10 176.51 3bwo h LYS 232 N 7.37 0.16 -6.28 2.72 1.57 -1.51 -1.13 116.57 119.47 3bwo h LYS 232 Ca -0.31 -0.28 -0.57 0.00 -1.87 0.00 0.00 60.65 57.63 3bwo h LYS 232 Cb 1.18 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 3bwo h LYS 232 CO 0.49 1.13 0.96 0.34 -0.57 0.00 0.00 179.45 181.80 3bwo s ASP 233 N -6.64 6.73 0.32 0.86 -1.08 -1.26 -4.78 116.67 110.82 3bwo s ASP 233 Ca -0.16 1.40 0.01 0.00 -0.52 0.00 0.00 52.55 53.27 3bwo s ASP 233 Cb -0.01 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.45 3bwo s ASP 233 CO 0.76 -1.00 1.94 0.50 0.52 0.00 0.00 175.17 177.90 3bwo h LYS 234 N 9.08 0.83 -0.69 4.34 3.64 -1.99 -2.06 116.57 129.72 3bwo h LYS 234 Ca -0.27 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 3bwo h LYS 234 Cb 1.10 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 3bwo h LYS 234 CO 1.01 0.63 0.27 1.49 -2.27 0.00 0.00 179.45 180.58 3bwo h GLU 235 N 0.84 1.02 -0.21 1.90 4.57 -1.99 0.28 114.58 120.99 3bwo h GLU 235 Ca 0.21 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3bwo h GLU 235 Cb 0.06 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 3bwo h GLU 235 CO -0.03 0.83 -0.15 0.28 -1.18 0.00 0.00 179.01 178.76 3bwo h VAL 236 N 0.99 1.32 -0.46 0.32 2.07 -1.86 -2.46 116.25 116.17 3bwo h VAL 236 Ca 0.23 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.52 3bwo h VAL 236 Cb 0.20 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3bwo h VAL 236 CO -0.02 0.39 0.23 0.00 0.02 0.00 0.00 177.57 178.19 3bwo h ALA 237 N 0.68 0.58 -0.71 1.67 0.00 -1.10 0.81 119.26 121.18 3bwo h ALA 237 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bwo h ALA 237 Cb 0.67 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3bwo h ALA 237 CO 0.04 -0.12 0.46 -0.22 0.00 0.00 0.00 179.25 179.41 3bwo h LYS 238 N 0.46 0.95 -0.07 0.00 3.64 -0.94 -0.53 116.57 120.07 3bwo h LYS 238 Ca 0.20 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 3bwo h LYS 238 Cb 0.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3bwo h LYS 238 CO -0.14 0.65 -0.53 0.87 -2.27 0.00 0.00 179.45 178.02 3bwo h LYS 239 N 0.97 0.20 -0.05 1.90 1.79 -1.06 -2.08 116.57 118.24 3bwo h LYS 239 Ca 0.26 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3bwo h LYS 239 Cb -0.08 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3bwo h LYS 239 CO -0.05 0.69 -0.01 0.52 -1.08 0.00 0.00 179.45 179.51 3bwo h MET 240 N 0.16 0.09 -0.44 3.15 2.86 -0.36 -0.91 114.93 119.48 3bwo h MET 240 Ca 0.00 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3bwo h MET 240 Cb 0.99 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 3bwo h MET 240 CO 0.08 0.44 0.07 0.28 1.06 0.00 0.00 176.91 178.84 3bwo h VAL 241 N -0.26 0.75 -0.37 -2.22 2.07 -1.05 -1.47 116.25 113.70 3bwo h VAL 241 Ca 0.01 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3bwo h VAL 241 Cb 0.40 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3bwo h VAL 241 CO 0.00 0.04 0.09 -0.33 0.02 0.00 0.00 177.57 177.39 3bwo h GLU 242 N 0.20 0.21 -0.36 1.57 5.08 -1.31 1.00 114.58 120.96 3bwo h GLU 242 Ca 0.22 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3bwo h GLU 242 Cb 0.28 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 3bwo h GLU 242 CO -0.30 0.14 -0.05 -0.92 -1.00 0.00 0.00 179.01 176.88 3bwo h TYR 243 N 0.22 -0.13 -0.42 4.33 3.20 -0.18 -1.41 116.97 122.57 3bwo h TYR 243 Ca 0.18 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3bwo h TYR 243 Cb 0.19 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3bwo h TYR 243 CO -0.18 -0.12 -0.02 0.82 -1.64 0.00 0.00 178.16 177.02 3bwo h ILE 244 N 0.04 1.23 -0.40 1.81 2.04 -0.47 -0.04 117.51 121.73 3bwo h ILE 244 Ca 0.18 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3bwo h ILE 244 Cb 0.26 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3bwo h ILE 244 CO -0.35 0.33 0.13 0.40 0.00 0.00 0.00 178.15 178.67 3bwo h ILE 245 N 0.65 0.87 -0.00 -0.67 2.04 0.22 0.41 117.51 121.03 3bwo h ILE 245 Ca 0.13 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.72 3bwo h ILE 245 Cb 0.43 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3bwo h ILE 245 CO 0.02 0.05 -0.77 0.58 0.00 0.00 0.00 178.15 178.03 3bwo h VAL 246 N 0.29 1.52 -0.20 1.67 2.07 -1.13 0.30 116.25 120.76 3bwo h VAL 246 Ca 0.18 -2.55 -0.18 0.00 0.82 0.00 0.00 66.70 64.98 3bwo h VAL 246 Cb 0.17 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3bwo h VAL 246 CO -0.19 0.73 -0.59 -1.13 0.02 0.00 0.00 177.57 176.41 3bwo h ASN 247 N 0.04 0.74 0.00 0.57 -0.00 -0.66 -3.42 115.58 112.86 3bwo h ASN 247 Ca -0.02 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.30 55.85 3bwo h ASN 247 Cb 1.36 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 39.45 3bwo h ASN 247 CO 0.11 1.17 -0.03 -1.54 -0.00 0.00 0.00 177.43 177.13 3bwo n SER 248 N -3.96 -0.11 -4.07 1.15 3.41 0.09 -5.02 113.62 105.12 3bwo n SER 248 Ca -0.04 -0.87 -0.32 0.00 -0.26 0.00 0.00 58.87 57.38 3bwo n SER 248 Cb 0.64 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3bwo n SER 248 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3bwo n ILE 249 N 0.00 -2.63 -0.62 -1.33 5.41 0.09 -4.66 119.36 115.63 3bwo n ILE 249 Ca -0.03 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.14 3bwo n ILE 249 Cb 0.41 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 3bwo n ILE 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bwo n GLY 250 N -2.18 -2.36 3.32 7.39 0.00 -1.22 -4.95 105.19 105.19 3bwo n GLY 250 Ca -0.25 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 3bwo n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bwo s VAL 251 N -0.27 2.02 -0.44 1.61 1.01 -1.26 -4.84 120.40 118.23 3bwo s VAL 251 Ca 0.00 -1.36 -0.44 0.00 0.00 0.00 0.00 61.98 60.18 3bwo s VAL 251 Cb 0.00 -1.74 -0.18 0.00 0.00 0.00 0.00 36.38 34.46 3bwo s VAL 251 CO 0.00 0.31 1.85 -0.24 0.00 0.00 0.00 175.10 177.02 3bwo n SER 252 N 1.75 1.41 0.22 3.32 2.88 -1.26 -4.88 113.62 117.05 3bwo n SER 252 Ca -0.17 0.94 -0.15 0.00 -1.33 0.00 0.00 58.87 58.16 3bwo n SER 252 Cb 0.52 -0.98 -0.08 0.00 -0.75 0.00 0.00 64.21 62.93 3bwo n SER 252 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3bwo h LYS 253 N 7.36 -0.70 -0.64 -1.46 6.56 -1.93 -2.50 116.57 123.25 3bwo h LYS 253 Ca -0.33 0.05 0.19 0.00 -1.06 0.00 0.00 60.65 59.49 3bwo h LYS 253 Cb 1.37 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 33.16 3bwo h LYS 253 CO 1.01 -0.47 0.54 1.05 -2.06 0.00 0.00 179.45 179.52 3bwo h GLU 254 N -0.73 0.00 -0.01 3.15 9.09 -1.92 0.23 114.58 124.40 3bwo h GLU 254 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 3bwo h GLU 254 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 3bwo h GLU 254 CO -0.07 0.00 -0.02 0.77 0.05 0.00 0.00 179.01 179.74 3bwo h SER 255 N 0.00 0.03 -0.53 3.06 0.02 -1.81 -1.23 113.55 113.09 3bwo h SER 255 Ca 0.30 -0.59 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3bwo h SER 255 Cb 1.37 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 3bwo h SER 255 CO -0.00 0.62 0.29 1.56 -1.14 0.00 0.00 176.83 178.16 3bwo h GLN 256 N -0.56 0.55 -0.73 3.45 4.20 -0.22 0.57 115.11 122.37 3bwo h GLN 256 Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3bwo h GLN 256 Cb 0.61 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3bwo h GLN 256 CO 0.00 0.37 0.37 0.28 -0.67 0.00 0.00 178.83 179.18 3bwo h VAL 257 N 0.57 1.23 -0.01 -0.54 2.07 -0.92 -0.90 116.25 117.75 3bwo h VAL 257 Ca 0.23 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3bwo h VAL 257 Cb 0.10 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3bwo h VAL 257 CO -0.14 0.27 -0.02 -0.09 0.02 0.00 0.00 177.57 177.61 3bwo h ARG 258 N 1.02 0.03 -0.83 1.57 2.43 -0.37 -2.36 114.38 115.87 3bwo h ARG 258 Ca 0.25 -0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.60 3bwo h ARG 258 Cb 0.08 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.52 3bwo h ARG 258 CO -0.04 0.58 0.30 1.15 -1.51 0.00 0.00 179.97 180.45 3bwo h THR 259 N -0.52 0.48 -0.66 0.20 2.02 0.21 0.67 112.91 115.31 3bwo h THR 259 Ca 0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3bwo h THR 259 Cb 0.58 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3bwo h THR 259 CO 0.00 0.06 0.36 0.00 0.37 0.00 0.00 175.52 176.31 3bwo h ALA 260 N 1.67 0.85 -0.41 6.16 0.00 -1.14 0.25 119.26 126.65 3bwo h ALA 260 Ca 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3bwo h ALA 260 Cb 0.91 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3bwo h ALA 260 CO -0.53 0.37 0.21 -0.22 0.00 0.00 0.00 179.25 179.08 3bwo h LYS 261 N 0.90 0.58 -0.24 0.00 1.63 -0.37 -1.40 116.57 117.68 3bwo h LYS 261 Ca 0.23 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3bwo h LYS 261 Cb 0.05 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3bwo h LYS 261 CO -0.04 0.49 -0.02 0.82 -3.45 0.00 0.00 179.45 177.26 3bwo h ILE 262 N 0.53 1.27 0.00 2.00 1.08 -1.04 -2.36 117.51 118.99 3bwo h ILE 262 Ca 0.14 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.62 3bwo h ILE 262 Cb 0.09 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 3bwo h ILE 262 CO -0.02 0.30 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.46 3bwo h LEU 263 N 0.20 0.00 -0.00 1.44 3.38 -0.85 -0.13 115.31 119.35 3bwo h LEU 263 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bwo h LEU 263 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3bwo h LEU 263 CO 0.02 0.20 -0.00 0.78 0.09 0.00 0.00 178.44 179.53 3bwo h ASN 264 N 0.00 0.00 -0.45 -0.43 2.35 -1.07 -1.86 115.58 114.11 3bwo h ASN 264 Ca -0.00 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 55.35 3bwo h ASN 264 Cb 0.38 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 3bwo h ASN 264 CO 0.03 0.46 0.16 0.58 -1.65 0.00 0.00 177.43 177.01 3bwo h VAL 265 N -0.46 0.86 -0.72 2.81 2.07 -1.13 -0.72 116.25 118.96 3bwo h VAL 265 Ca 0.00 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.50 3bwo h VAL 265 Cb 0.46 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3bwo h VAL 265 CO 0.00 0.06 0.36 0.25 0.02 0.00 0.00 177.57 178.26 3bwo h LEU 266 N 0.33 0.46 -0.01 2.57 5.85 -1.01 0.24 115.31 123.75 3bwo h LEU 266 Ca 0.21 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3bwo h LEU 266 Cb 0.21 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3bwo h LEU 266 CO -0.22 0.26 0.00 0.50 -0.34 0.00 0.00 178.44 178.64 3bwo h LYS 267 N 0.60 0.01 -0.33 1.25 3.64 -0.31 -2.53 116.57 118.89 3bwo h LYS 267 Ca 0.36 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 3bwo h LYS 267 Cb 0.39 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 3bwo h LYS 267 CO -0.28 0.07 -0.12 0.93 -2.27 0.00 0.00 179.45 177.78 3bwo h GLU 268 N -0.06 -0.05 -1.16 1.90 5.08 -0.68 -0.73 114.58 118.88 3bwo h GLU 268 Ca 0.00 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.70 3bwo h GLU 268 Cb 0.07 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3bwo h GLU 268 CO -0.00 -0.03 0.87 1.15 -1.00 0.00 0.00 179.01 180.00 3bwo h THR 269 N -0.05 0.36 0.00 1.13 2.02 -0.55 -2.03 112.91 113.79 3bwo h THR 269 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 3bwo h THR 269 Cb 0.30 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3bwo h THR 269 CO -0.37 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.49 3bwo n LYS 271 N -3.30 2.07 -2.45 0.00 2.85 -0.76 -4.94 118.16 111.62 3bwo n LYS 271 Ca -0.02 -1.55 -0.33 0.00 -1.05 0.00 0.00 58.31 55.36 3bwo n LYS 271 Cb 0.16 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.04 3bwo n LYS 271 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3bwo s SER 272 N -1.99 6.47 -0.06 -5.58 0.15 -0.18 -4.98 113.70 107.53 3bwo s SER 272 Ca 0.32 1.72 0.19 0.00 0.70 0.00 0.00 55.95 58.88 3bwo s SER 272 Cb 0.20 -2.53 -0.23 0.00 -1.71 0.00 0.00 66.02 61.75 3bwo s SER 272 CO 0.31 -0.69 0.44 -0.62 1.20 0.00 0.00 173.24 173.89 3bwo n GLU 273 N -1.33 0.66 -1.74 5.44 1.02 -1.26 -4.63 120.64 118.80 3bwo n GLU 273 Ca 0.08 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 3bwo n GLU 273 Cb 0.53 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3bwo n GLU 273 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3bwo n SER 274 N -2.68 3.46 -0.31 1.62 2.88 -1.26 -4.86 113.62 112.47 3bwo n SER 274 Ca -0.17 1.21 0.14 0.00 -1.33 0.00 0.00 58.87 58.72 3bwo n SER 274 Cb 0.90 -1.57 0.59 0.00 -0.75 0.00 0.00 64.21 63.37 3bwo n SER 274 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3bwo n GLU 275 N 0.77 1.28 -0.00 -1.46 1.02 -1.26 -1.62 120.64 119.36 3bwo n GLU 275 Ca 0.04 -0.62 0.08 0.00 -0.02 0.00 0.00 57.16 56.63 3bwo n GLU 275 Cb 0.37 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 3bwo n GLU 275 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3bwo n SER 276 N -0.32 1.18 -0.08 1.62 3.41 -1.26 -3.25 113.62 114.93 3bwo n SER 276 Ca 0.18 -0.31 -0.07 0.00 -0.26 0.00 0.00 58.87 58.41 3bwo n SER 276 Cb 0.30 1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 65.68 3bwo n SER 276 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bwo n GLU 277 N -1.79 0.47 -1.60 4.33 -0.58 -1.15 -4.80 120.64 115.51 3bwo n GLU 277 Ca -0.01 0.53 -0.40 0.00 -0.42 0.00 0.00 57.16 56.86 3bwo n GLU 277 Cb 0.34 -1.70 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 3bwo n GLU 277 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3bwo s ASN 278 N -5.89 4.98 0.14 1.62 3.84 -0.64 -4.85 114.94 114.14 3bwo s ASN 278 Ca -0.17 1.47 -0.23 0.00 0.21 0.00 0.00 52.86 54.14 3bwo s ASN 278 Cb 0.03 -2.51 0.01 0.00 -0.55 0.00 0.00 41.25 38.23 3bwo s ASN 278 CO 0.27 -2.39 1.63 0.15 -2.79 0.00 0.00 177.10 173.96 3bwo h PHE 279 N 17.12 -0.71 0.00 0.43 3.04 -1.87 0.47 116.94 135.42 3bwo h PHE 279 Ca -0.33 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.66 3bwo h PHE 279 Cb 1.25 0.34 -0.00 0.00 2.56 0.00 0.00 35.95 40.10 3bwo h PHE 279 CO 0.95 -0.34 -0.02 0.74 -2.02 0.00 0.00 178.31 177.62 3bwo h PHE 280 N -0.29 0.00 0.04 0.41 0.05 -1.93 0.66 116.94 115.87 3bwo h PHE 280 Ca 0.12 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.83 3bwo h PHE 280 Cb 0.48 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.44 3bwo h PHE 280 CO -0.39 0.02 -0.34 -0.22 -0.18 0.00 0.00 178.31 177.20 3bwo h LYS 281 N 0.00 0.17 -0.82 1.51 3.11 -1.56 -2.32 116.57 116.66 3bwo h LYS 281 Ca -0.00 -0.23 0.01 0.00 -2.81 0.00 0.00 60.65 57.62 3bwo h LYS 281 Cb 0.05 0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 3bwo h LYS 281 CO 0.00 1.03 0.54 -0.92 -2.81 0.00 0.00 179.45 177.29 3bwo h TYR 282 N -0.59 1.02 0.26 1.91 5.03 -0.02 -1.74 116.97 122.84 3bwo h TYR 282 Ca -0.05 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 3bwo h TYR 282 Cb 1.18 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 39.12 3bwo h TYR 282 CO 0.21 0.64 -0.12 0.78 -1.32 0.00 0.00 178.16 178.35 3bwo h GLY 283 N 1.10 -0.36 1.03 1.82 0.00 0.24 -2.01 103.07 104.89 3bwo h GLY 283 Ca 0.30 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 3bwo h GLY 283 CO -0.07 -0.13 0.40 -0.09 0.00 0.00 0.00 176.54 176.65 3bwo h ARG 284 N -0.59 1.19 -0.40 4.80 2.43 -1.37 0.77 114.38 121.22 3bwo h ARG 284 Ca -0.04 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3bwo h ARG 284 Cb 0.42 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3bwo h ARG 284 CO 0.06 0.92 0.15 1.49 -1.51 0.00 0.00 179.97 181.08 3bwo h GLU 285 N 1.18 0.57 -0.10 0.20 4.57 -1.34 0.11 114.58 119.77 3bwo h GLU 285 Ca 0.28 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3bwo h GLU 285 Cb 0.12 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3bwo h GLU 285 CO -0.04 0.48 -0.16 1.98 -1.18 0.00 0.00 179.01 180.10 3bwo h MET 286 N 0.56 0.29 0.00 1.92 4.05 -0.47 -2.50 114.93 118.79 3bwo h MET 286 Ca 0.14 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 3bwo h MET 286 Cb 0.13 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3bwo h MET 286 CO -0.01 0.74 -0.22 0.52 0.23 0.00 0.00 176.91 178.17 3bwo h MET 287 N -0.15 0.00 0.35 0.39 2.86 -0.40 -1.92 114.93 116.06 3bwo h MET 287 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3bwo h MET 287 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3bwo h MET 287 CO 0.04 0.22 -0.17 -0.22 1.06 0.00 0.00 176.91 177.83 3bwo h LYS 288 N 0.00 -0.46 -0.11 1.72 3.64 -0.74 -1.98 116.57 118.64 3bwo h LYS 288 Ca -0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3bwo h LYS 288 Cb 0.43 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 3bwo h LYS 288 CO 0.03 -0.15 -0.43 -0.97 -2.27 0.00 0.00 179.45 175.65 3bwo h ASN 289 N -0.97 -1.36 -0.82 4.20 -0.73 -1.30 0.89 115.58 115.50 3bwo h ASN 289 Ca -0.05 0.17 0.14 0.00 1.87 0.00 0.00 56.30 58.44 3bwo h ASN 289 Cb 0.52 0.55 -0.09 0.00 0.27 0.00 0.00 38.32 39.56 3bwo h ASN 289 CO 0.08 -0.44 0.40 0.03 -0.37 0.00 0.00 177.43 177.13 3bwo h ARG 290 N -0.52 0.56 0.00 6.67 3.08 -1.42 -1.25 114.38 121.50 3bwo h ARG 290 Ca 0.07 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3bwo h ARG 290 Cb 0.64 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3bwo h ARG 290 CO -0.39 0.37 -0.53 -1.49 -1.07 0.00 0.00 179.97 176.86 3bwo h TRP 291 N 0.57 0.00 -0.16 3.04 4.06 -0.42 -2.17 115.95 120.87 3bwo h TRP 291 Ca 0.45 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.29 3bwo h TRP 291 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 3bwo h TRP 291 CO -0.11 0.53 -0.32 0.93 -3.56 0.00 0.00 178.44 175.91 3bwo h GLU 292 N 0.00 0.49 -0.69 0.49 5.08 0.21 0.81 114.58 120.98 3bwo h GLU 292 Ca -0.01 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 3bwo h GLU 292 Cb 0.94 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3bwo h GLU 292 CO 0.07 0.93 0.32 0.87 -1.00 0.00 0.00 179.01 180.20 3bwo h LYS 293 N 0.12 0.98 -0.43 2.33 1.57 -1.19 -0.66 116.57 119.28 3bwo h LYS 293 Ca 0.00 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3bwo h LYS 293 Cb 0.92 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3bwo h LYS 293 CO 0.07 0.76 -0.27 1.25 -0.57 0.00 0.00 179.45 180.69 3bwo h LEU 294 N 0.97 0.96 -0.52 2.94 5.85 -1.34 -2.63 115.31 121.55 3bwo h LEU 294 Ca 0.24 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3bwo h LEU 294 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3bwo h LEU 294 CO -0.03 1.17 0.27 -0.09 -0.34 0.00 0.00 178.44 179.42 3bwo h ARG 295 N 0.79 0.51 0.77 1.25 9.65 0.13 -1.68 114.38 125.79 3bwo h ARG 295 Ca 0.09 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3bwo h ARG 295 Cb 0.84 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.31 3bwo h ARG 295 CO 0.07 0.33 -0.45 0.93 2.80 0.00 0.00 179.97 183.66 3bwo h GLU 296 N 0.52 -1.09 -0.61 0.20 5.08 -1.07 -1.06 114.58 116.55 3bwo h GLU 296 Ca 0.23 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.79 3bwo h GLU 296 Cb 0.13 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 3bwo h GLU 296 CO -0.16 -0.73 -0.14 0.28 -1.00 0.00 0.00 179.01 177.26 3bwo h VAL 297 N -1.13 0.40 -0.64 3.13 2.07 -1.35 -0.71 116.25 118.02 3bwo h VAL 297 Ca -0.10 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3bwo h VAL 297 Cb 0.90 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3bwo h VAL 297 CO 0.12 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.47 3bwo h VAL 298 N 0.01 1.25 -0.16 2.57 2.07 -1.20 -2.46 116.25 118.33 3bwo h VAL 298 Ca 0.29 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3bwo h VAL 298 Cb 0.45 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3bwo h VAL 298 CO -0.62 0.34 -0.09 0.50 0.02 0.00 0.00 177.57 177.72 3bwo h LYS 299 N 0.93 -0.08 0.00 1.57 3.64 0.22 -0.96 116.57 121.89 3bwo h LYS 299 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3bwo h LYS 299 Cb 0.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3bwo h LYS 299 CO -0.00 -0.05 0.00 -0.85 -2.27 0.00 0.00 179.45 176.28 3bwo n GLU 300 N -5.24 0.95 -2.21 1.90 0.28 -0.92 -4.76 120.64 110.64 3bwo n GLU 300 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.66 3bwo n GLU 300 Cb 0.16 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.54 3bwo n GLU 300 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3bwo s SER 301 N -1.95 6.47 0.00 -1.84 0.01 -0.37 -5.00 113.70 111.03 3bwo s SER 301 Ca 0.43 1.50 0.21 0.00 1.31 0.00 0.00 55.95 59.40 3bwo s SER 301 Cb 0.20 -2.49 -0.17 0.00 0.21 0.00 0.00 66.02 63.77 3bwo s SER 301 CO 0.33 -0.69 0.95 -0.90 0.41 0.00 0.00 173.24 173.34 3bwo n ASP 302 N -2.02 1.27 0.00 2.44 5.75 -1.26 -4.73 116.55 118.00 3bwo n ASP 302 Ca 0.06 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 3bwo n ASP 302 Cb 0.54 0.86 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 3bwo n ASP 302 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bwo n ALA 303 N -1.10 1.97 -1.77 2.12 0.00 -1.26 -4.95 120.51 115.51 3bwo n ALA 303 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 3bwo n ALA 303 Cb 0.37 0.37 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 3bwo n ALA 303 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3bwo s PHE 304 N -1.92 2.93 0.02 0.00 0.08 -1.26 -1.46 117.98 116.36 3bwo s PHE 304 Ca 0.00 1.55 0.07 0.00 0.12 0.00 0.00 56.93 58.67 3bwo s PHE 304 Cb 0.00 -3.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 3bwo s PHE 304 CO 0.00 -1.35 -0.20 0.95 -0.10 0.00 0.00 175.22 174.52 3bwo s THR 305 N -1.59 1.58 -0.01 0.64 -4.23 0.74 -4.91 115.64 107.87 3bwo s THR 305 Ca 0.63 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 3bwo s THR 305 Cb -0.27 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 3bwo s THR 305 CO 0.33 0.30 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.36 3bwo s LEU 306 N -0.84 2.03 0.93 4.79 2.96 -1.26 -1.67 118.68 125.62 3bwo s LEU 306 Ca 0.07 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.64 3bwo s LEU 306 Cb -0.08 -0.66 0.12 0.00 0.50 0.00 0.00 46.19 46.07 3bwo s LEU 306 CO 0.01 0.15 0.93 -2.65 -1.32 0.00 0.00 176.35 173.47 3bwo n PRO 307 N 2.74 -0.42 -4.71 0.98 -0.02 -1.26 -5.02 135.00 127.30 3bwo n PRO 307 Ca -0.14 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 60.95 3bwo n PRO 307 Cb 0.56 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 3bwo n PRO 307 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3bwo s LYS 308 N -4.35 3.36 -0.16 -0.52 1.02 -1.26 -5.11 119.74 112.73 3bwo s LYS 308 Ca 0.64 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 3bwo s LYS 308 Cb -0.22 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 3bwo s LYS 308 CO 0.61 0.17 -0.08 0.71 -0.92 0.00 0.00 175.35 175.84 3bwo s TYR 309 N 0.46 2.91 0.67 3.18 2.02 -1.26 -5.11 117.35 120.23 3bwo s TYR 309 Ca -0.09 -0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 55.85 3bwo s TYR 309 Cb -0.16 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3bwo s TYR 309 CO 0.05 -0.24 1.12 -1.25 -1.57 0.00 0.00 175.55 173.65 3bwo s PRO 310 N 0.63 2.70 0.32 -1.71 0.04 -1.26 -4.84 135.00 130.87 3bwo s PRO 310 Ca -0.05 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 3bwo s PRO 310 Cb -0.15 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3bwo s PRO 310 CO 0.03 -1.33 0.78 -2.00 0.04 0.00 0.00 177.00 174.52 3bwo s GLU 311 N -4.14 4.12 0.08 4.56 2.12 -1.26 -4.60 118.70 119.57 3bwo s GLU 311 Ca 0.67 0.82 -0.14 0.00 0.36 0.00 0.00 54.97 56.67 3bwo s GLU 311 Cb -0.21 -2.49 0.02 0.00 0.26 0.00 0.00 34.13 31.72 3bwo s GLU 311 CO 0.43 0.17 0.34 0.00 -0.54 0.00 0.00 175.26 175.66 3bwo s ALA 312 N -1.92 -0.75 -0.16 6.30 0.00 -0.78 -4.95 121.76 119.50 3bwo s ALA 312 Ca 0.53 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 3bwo s ALA 312 Cb -0.12 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 3bwo s ALA 312 CO 0.18 -0.51 0.85 0.12 0.00 0.00 0.00 175.76 176.39 3bwo s PHE 313 N -3.15 3.44 -0.27 0.00 2.19 -1.26 -0.31 117.98 118.61 3bwo s PHE 313 Ca -0.01 1.29 -0.14 0.00 0.33 0.00 0.00 56.93 58.41 3bwo s PHE 313 Cb 0.01 -3.03 -0.04 0.00 -1.31 0.00 0.00 43.02 38.65 3bwo s PHE 313 CO -0.07 -0.22 0.31 0.00 1.83 0.00 0.00 175.22 177.07 3bwo h ASN 315 N 8.24 0.00 0.07 0.00 2.35 -1.49 0.58 115.58 125.33 3bwo h ASN 315 Ca -0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3bwo h ASN 315 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3bwo h ASN 315 CO 0.61 0.07 -0.03 0.22 -1.65 0.00 0.00 177.43 176.65 3bwo h TYR 316 N 0.00 -0.09 0.00 1.19 3.20 -1.82 -3.31 116.97 116.15 3bwo h TYR 316 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3bwo h TYR 316 Cb 0.43 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3bwo h TYR 316 CO 0.00 0.49 -0.23 1.19 -1.64 0.00 0.00 178.16 177.97 3bwo n PHE 317 N -4.80 0.03 -1.10 -3.82 3.72 -1.20 -4.93 117.46 105.37 3bwo n PHE 317 Ca -0.08 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.30 3bwo n PHE 317 Cb 0.30 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 3bwo n PHE 317 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bwo n GLY 318 N 1.49 0.51 3.69 1.37 0.00 0.20 -4.98 105.19 107.48 3bwo n GLY 318 Ca 0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3bwo n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bwo s LYS 319 N -1.76 2.09 -0.39 1.61 1.02 -1.14 -4.90 119.74 116.26 3bwo s LYS 319 Ca 0.00 -2.09 -0.10 0.00 0.02 0.00 0.00 55.97 53.80 3bwo s LYS 319 Cb 0.00 -1.73 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 3bwo s LYS 319 CO 0.00 -0.15 0.23 0.45 -0.92 0.00 0.00 175.35 174.96 3bwo s SER 320 N -3.82 5.69 0.27 2.83 0.15 -1.26 0.20 113.70 117.76 3bwo s SER 320 Ca 0.31 -1.21 0.02 0.00 0.70 0.00 0.00 55.95 55.78 3bwo s SER 320 Cb 0.06 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 3bwo s SER 320 CO 0.17 -0.45 0.23 -1.48 1.20 0.00 0.00 173.24 172.90 3bwo s LEU 321 N 1.50 1.40 0.76 3.45 2.34 0.58 -4.85 118.68 123.86 3bwo s LEU 321 Ca 0.02 -1.55 -0.09 0.00 0.06 0.00 0.00 54.13 52.56 3bwo s LEU 321 Cb -0.21 0.55 0.07 0.00 -0.56 0.00 0.00 46.19 46.05 3bwo s LEU 321 CO 0.05 -0.97 1.10 -1.61 -1.06 0.00 0.00 176.35 173.86 3bwo s GLU 322 N -3.77 2.06 -0.10 1.48 0.41 -1.26 -1.88 118.70 115.63 3bwo s GLU 322 Ca 0.39 -0.07 0.04 0.00 -0.41 0.00 0.00 54.97 54.92 3bwo s GLU 322 Cb 0.04 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 3bwo s GLU 322 CO 0.20 -1.44 -0.24 -1.54 -0.49 0.00 0.00 175.26 171.75 3bwo s SER 323 N -4.55 3.08 -0.61 -0.19 1.04 -1.26 -4.47 113.70 106.73 3bwo s SER 323 Ca 0.61 -0.56 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 3bwo s SER 323 Cb -0.11 -1.41 0.15 0.00 0.10 0.00 0.00 66.02 64.76 3bwo s SER 323 CO 0.47 0.15 0.40 -0.31 0.98 0.00 0.00 173.24 174.93 3bwo s TYR 324 N 0.38 3.35 0.80 5.02 1.51 0.08 -4.92 117.35 123.58 3bwo s TYR 324 Ca -0.18 -2.89 -0.15 0.00 -1.01 0.00 0.00 57.07 52.84 3bwo s TYR 324 Cb -0.18 -3.07 0.01 0.00 -0.11 0.00 0.00 41.96 38.61 3bwo s TYR 324 CO 0.08 -0.80 0.66 -2.30 -1.11 0.00 0.00 175.55 172.08 3bwo n PRO 325 N 3.27 0.13 0.09 -1.71 -0.02 -1.26 -4.67 135.00 130.83 3bwo n PRO 325 Ca 0.08 0.10 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 3bwo n PRO 325 Cb 0.36 -1.99 0.45 0.00 -0.02 0.00 0.00 33.50 32.30 3bwo n PRO 325 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwo n ALA 326 N -2.91 2.09 -2.49 3.55 0.00 -1.26 -4.74 120.51 114.75 3bwo n ALA 326 Ca 0.10 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 3bwo n ALA 326 Cb 0.51 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 3bwo n ALA 326 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3bwo s PHE 327 N -3.14 1.95 -0.30 0.00 0.08 -1.26 0.42 117.98 115.73 3bwo s PHE 327 Ca 0.09 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 3bwo s PHE 327 Cb 0.12 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 3bwo s PHE 327 CO 0.52 0.26 0.06 0.00 -0.10 0.00 0.00 175.22 175.95 3bwo s ALA 328 N -1.23 2.98 -0.99 5.36 0.00 0.15 -4.83 121.76 123.20 3bwo s ALA 328 Ca 0.10 -1.53 -0.22 0.00 0.00 0.00 0.00 51.96 50.31 3bwo s ALA 328 Cb -0.10 -2.08 0.08 0.00 0.00 0.00 0.00 23.12 21.02 3bwo s ALA 328 CO 0.05 -1.01 1.35 -0.46 0.00 0.00 0.00 175.76 175.69 3bwo s TRP 329 N 1.43 2.72 -0.01 0.00 -0.00 -1.26 -1.18 118.94 120.64 3bwo s TRP 329 Ca 0.01 -1.03 -0.22 0.00 -0.00 0.00 0.00 56.10 54.86 3bwo s TRP 329 Cb -0.18 -4.56 -0.05 0.00 -0.00 0.00 0.00 33.47 28.68 3bwo s TRP 329 CO 0.01 -1.79 0.64 -1.17 -0.00 0.00 0.00 176.95 174.64 3bwo s LEU 330 N 4.22 4.40 0.22 5.86 2.96 -0.40 -4.19 118.68 131.75 3bwo s LEU 330 Ca 0.42 1.20 0.06 0.00 -0.22 0.00 0.00 54.13 55.58 3bwo s LEU 330 Cb -0.02 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 3bwo s LEU 330 CO -0.10 0.04 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.07 3bwo s GLY 331 N 0.06 1.49 -0.02 7.98 0.00 -0.67 -0.83 107.32 115.34 3bwo s GLY 331 Ca 0.33 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.38 3bwo s GLY 331 CO 0.18 -1.72 -0.14 -1.08 0.00 0.00 0.00 173.10 170.34 3bwo s THR 332 N -3.19 1.13 0.17 0.90 -1.32 -0.26 -0.18 115.64 112.89 3bwo s THR 332 Ca 0.25 -0.59 0.12 0.00 -1.21 0.00 0.00 61.69 60.26 3bwo s THR 332 Cb 0.03 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3bwo s THR 332 CO 0.07 0.32 1.55 0.11 -2.21 0.00 0.00 174.62 174.47 3bwo h LYS 333 N 5.97 0.00 0.00 7.08 1.57 -1.60 -3.46 116.57 126.14 3bwo h LYS 333 Ca -0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 3bwo h LYS 333 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 3bwo h LYS 333 CO 0.49 0.63 -0.01 0.39 -0.57 0.00 0.00 179.45 180.38 3bwo n GLU 334 N -3.58 -1.86 -3.38 3.15 -0.58 -1.26 -4.98 120.64 108.16 3bwo n GLU 334 Ca -0.00 -0.10 -0.28 0.00 -0.42 0.00 0.00 57.16 56.36 3bwo n GLU 334 Cb 0.68 -0.12 -0.07 0.00 -0.57 0.00 0.00 31.44 31.35 3bwo n GLU 334 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3bwo n GLU 335 N -2.08 2.68 -4.59 3.49 -0.58 -1.26 -5.00 120.64 113.29 3bwo n GLU 335 Ca 0.01 -4.68 -0.27 0.00 -0.42 0.00 0.00 57.16 51.80 3bwo n GLU 335 Cb 0.04 -2.27 -0.11 0.00 -0.57 0.00 0.00 31.44 28.53 3bwo n GLU 335 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3bwo s THR 336 N -2.60 1.75 -0.98 2.62 -4.23 -1.26 -5.05 115.64 105.88 3bwo s THR 336 Ca 0.40 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.78 3bwo s THR 336 Cb 0.15 -2.90 0.22 0.00 1.34 0.00 0.00 72.50 71.31 3bwo s THR 336 CO -0.01 0.00 1.01 -0.62 -0.54 0.00 0.00 174.62 174.46 3bwo s ASP 337 N -3.67 6.97 0.30 3.99 3.68 -1.26 -4.09 116.67 122.58 3bwo s ASP 337 Ca 0.34 -2.93 0.05 0.00 2.13 0.00 0.00 52.55 52.14 3bwo s ASP 337 Cb 0.09 -2.26 0.72 0.00 -1.45 0.00 0.00 42.92 40.02 3bwo s ASP 337 CO 0.17 -0.57 1.75 0.25 0.13 0.00 0.00 175.17 176.90 3bwo h LEU 338 N 8.04 0.65 -1.44 -1.34 5.85 -1.43 0.30 115.31 125.94 3bwo h LEU 338 Ca 0.16 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 3bwo h LEU 338 Cb 0.96 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3bwo h LEU 338 CO 0.95 0.19 -0.21 1.62 -0.34 0.00 0.00 178.44 180.65 3bwo h VAL 339 N 0.65 1.18 0.16 1.05 3.04 -1.83 -0.81 116.25 119.70 3bwo h VAL 339 Ca 0.57 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 3bwo h VAL 339 Cb 0.93 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3bwo h VAL 339 CO -0.42 0.25 -0.08 0.28 -1.01 0.00 0.00 177.57 176.60 3bwo h SER 340 N 0.10 -0.19 -0.94 3.17 0.02 -0.80 -2.60 113.55 112.31 3bwo h SER 340 Ca 0.02 -0.35 0.08 0.00 -0.84 0.00 0.00 61.79 60.69 3bwo h SER 340 Cb 0.43 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 3bwo h SER 340 CO 0.03 0.36 0.61 -0.33 -1.14 0.00 0.00 176.83 176.36 3bwo h GLU 341 N -0.85 1.01 -0.64 3.45 4.39 -1.26 -1.04 114.58 119.65 3bwo h GLU 341 Ca -0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3bwo h GLU 341 Cb 0.53 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3bwo h GLU 341 CO 0.04 0.67 0.36 1.25 -1.16 0.00 0.00 179.01 180.16 3bwo h LEU 342 N 1.04 0.79 -1.21 1.33 5.85 -1.19 -2.13 115.31 119.79 3bwo h LEU 342 Ca 0.42 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 3bwo h LEU 342 Cb 0.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3bwo h LEU 342 CO -0.17 0.65 -0.38 0.03 -0.34 0.00 0.00 178.44 178.23 3bwo h ARG 343 N 0.87 0.00 0.00 1.25 3.08 -0.93 -0.63 114.38 118.02 3bwo h ARG 343 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3bwo h ARG 343 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3bwo h ARG 343 CO -0.04 0.38 -0.05 0.00 -1.07 0.00 0.00 179.97 179.20 3bwo h ARG 344 N 0.00 0.00 -0.50 0.04 3.08 -0.53 0.16 114.38 116.63 3bwo h ARG 344 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bwo h ARG 344 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3bwo h ARG 344 CO 0.05 0.05 0.00 0.72 -1.07 0.00 0.00 179.97 179.72 3bwo n HIS 345 N -3.63 1.73 -2.82 3.04 8.25 -0.93 -4.93 115.22 115.92 3bwo n HIS 345 Ca -0.02 -0.75 -0.16 0.00 -0.26 0.00 0.00 57.72 56.53 3bwo n HIS 345 Cb 0.15 -0.44 0.03 0.00 1.12 0.00 0.00 29.99 30.85 3bwo n HIS 345 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3bwo n LYS 346 N 0.38 -3.58 -3.93 -0.41 5.02 0.57 -4.93 118.16 111.28 3bwo n LYS 346 Ca 0.26 0.63 -0.35 0.00 -2.02 0.00 0.00 58.31 56.83 3bwo n LYS 346 Cb 1.09 -4.91 -0.14 0.00 -0.02 0.00 0.00 35.03 31.05 3bwo n LYS 346 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bwo s VAL 347 N -3.00 2.95 -0.03 -0.18 1.01 -0.29 -1.38 120.40 119.48 3bwo s VAL 347 Ca 0.23 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 3bwo s VAL 347 Cb -0.10 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3bwo s VAL 347 CO 0.28 0.04 0.55 -0.04 0.00 0.00 0.00 175.10 175.93 3bwo s MET 348 N 1.29 4.28 0.20 2.72 -1.94 0.93 -2.71 119.30 124.07 3bwo s MET 348 Ca -0.03 0.64 -0.13 0.00 -1.71 0.00 0.00 55.69 54.47 3bwo s MET 348 Cb -0.18 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.31 3bwo s MET 348 CO -0.03 0.35 0.41 -1.54 -0.01 0.00 0.00 175.02 174.21 3bwo s SER 349 N -0.09 -0.09 -0.35 3.03 1.04 -1.26 -0.49 113.70 115.49 3bwo s SER 349 Ca 0.29 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.72 3bwo s SER 349 Cb -0.17 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.48 3bwo s SER 349 CO 0.15 -1.02 0.72 -0.60 0.98 0.00 0.00 173.24 173.48 3bwo s ARG 350 N -3.96 3.75 -0.14 4.02 6.06 -0.75 -4.74 118.95 123.19 3bwo s ARG 350 Ca 0.17 0.24 -0.36 0.00 -2.50 0.00 0.00 55.73 53.28 3bwo s ARG 350 Cb 0.01 -3.80 -0.13 0.00 0.06 0.00 0.00 34.95 31.09 3bwo s ARG 350 CO 0.02 -0.78 1.86 0.00 -2.50 0.00 0.00 175.30 173.90 3bwo n ALA 351 N 6.24 0.63 -0.31 6.12 0.00 -1.26 -0.27 120.51 131.66 3bwo n ALA 351 Ca 0.01 0.30 0.32 0.00 0.00 0.00 0.00 53.44 54.07 3bwo n ALA 351 Cb 0.48 -2.44 0.68 0.00 0.00 0.00 0.00 19.45 18.18 3bwo n ALA 351 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3bwo h GLY 352 N 8.84 0.35 1.88 0.00 0.00 -1.09 0.32 103.07 113.39 3bwo h GLY 352 Ca -0.48 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 46.81 3bwo h GLY 352 CO 0.95 -0.05 0.04 0.83 0.00 0.00 0.00 176.54 178.32 3bwo h GLU 353 N 0.11 0.00 0.00 4.80 5.08 -1.74 0.14 114.58 122.96 3bwo h GLU 353 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3bwo h GLU 353 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3bwo h GLU 353 CO -0.09 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.46 3bwo n ARG 354 N -4.19 0.15 -0.46 2.33 1.74 0.11 -2.60 116.66 113.75 3bwo n ARG 354 Ca -0.02 0.20 0.09 0.00 -0.77 0.00 0.00 57.85 57.35 3bwo n ARG 354 Cb 0.14 -1.71 0.30 0.00 -1.02 0.00 0.00 32.46 30.17 3bwo n ARG 354 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bwo n GLY 356 N 0.88 0.39 0.00 0.00 0.00 -1.07 -0.77 105.19 104.61 3bwo n GLY 356 Ca 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3bwo n GLY 356 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bwo n SER 357 N 1.48 0.12 -4.60 1.61 2.88 -0.22 -4.73 113.62 110.15 3bwo n SER 357 Ca -0.03 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.23 3bwo n SER 357 Cb 0.35 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.70 3bwo n SER 357 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3bwo s ASP 358 N 0.23 3.77 0.00 -3.46 3.84 -1.26 -4.25 116.67 115.54 3bwo s ASP 358 Ca 0.00 -1.35 0.02 0.00 -0.00 0.00 0.00 52.55 51.22 3bwo s ASP 358 Cb 0.00 -0.38 0.11 0.00 -1.38 0.00 0.00 42.92 41.28 3bwo s ASP 358 CO 0.00 -0.44 0.99 0.29 -0.00 0.00 0.00 175.17 176.01 3bwo n LYS 359 N -0.94 0.02 0.00 2.11 5.02 -1.26 -2.00 118.16 121.11 3bwo n LYS 359 Ca -0.05 0.37 0.14 0.00 -2.02 0.00 0.00 58.31 56.75 3bwo n LYS 359 Cb 0.67 -1.50 0.58 0.00 -0.02 0.00 0.00 35.03 34.76 3bwo n LYS 359 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bwo n LYS 360 N -1.40 0.63 -4.38 1.97 5.02 -1.26 -1.11 118.16 117.63 3bwo n LYS 360 Ca 0.01 -0.22 -0.24 0.00 -2.02 0.00 0.00 58.31 55.84 3bwo n LYS 360 Cb 0.02 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 3bwo n LYS 360 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3bwo s HIS 361 N -2.52 2.04 0.09 2.13 3.76 -0.85 -1.10 115.29 118.84 3bwo s HIS 361 Ca 0.27 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.65 3bwo s HIS 361 Cb 0.20 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.91 3bwo s HIS 361 CO 0.49 0.44 0.27 0.14 -0.85 0.00 0.00 174.74 175.23 3bwo s VAL 362 N -2.04 0.11 -0.23 -0.90 -7.23 -0.01 -0.66 120.40 109.44 3bwo s VAL 362 Ca 0.20 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3bwo s VAL 362 Cb -0.06 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.69 3bwo s VAL 362 CO 0.09 -0.51 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.70 3bwo s ARG 363 N -3.58 2.96 -0.15 4.82 3.52 0.62 -1.28 118.95 125.86 3bwo s ARG 363 Ca 0.02 -0.89 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 3bwo s ARG 363 Cb 0.03 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 3bwo s ARG 363 CO -0.10 -0.34 -0.14 0.54 -0.81 0.00 0.00 175.30 174.46 3bwo s VAL 364 N 1.35 2.84 0.45 7.11 0.11 -0.33 -1.81 120.40 130.12 3bwo s VAL 364 Ca 0.02 -0.72 -0.25 0.00 -2.93 0.00 0.00 61.98 58.11 3bwo s VAL 364 Cb -0.16 -2.20 -0.08 0.00 -1.53 0.00 0.00 36.38 32.41 3bwo s VAL 364 CO -0.05 0.51 1.30 -0.55 -3.33 0.00 0.00 175.10 172.97 3bwo s SER 365 N 0.74 6.05 0.00 3.54 0.15 -0.96 0.34 113.70 123.55 3bwo s SER 365 Ca -0.06 2.63 0.12 0.00 0.70 0.00 0.00 55.95 59.35 3bwo s SER 365 Cb -0.15 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.73 3bwo s SER 365 CO 0.01 -1.03 1.06 0.23 1.20 0.00 0.00 173.24 174.71 3bwo n MET 366 N -0.24 1.62 -0.72 5.44 2.81 0.17 -4.61 117.12 121.59 3bwo n MET 366 Ca 0.06 -1.61 0.03 0.00 -1.81 0.00 0.00 57.70 54.36 3bwo n MET 366 Cb 0.45 -1.27 0.29 0.00 -0.71 0.00 0.00 33.22 31.98 3bwo n MET 366 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3bwo n LEU 367 N 0.69 4.80 0.00 4.03 4.77 -1.24 -4.98 117.00 125.06 3bwo n LEU 367 Ca 0.10 -3.16 -0.04 0.00 -0.03 0.00 0.00 56.01 52.88 3bwo n LEU 367 Cb 0.37 -0.63 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3bwo n LEU 367 CO 0.08 0.78 0.11 -1.54 -1.33 0.00 0.00 177.39 175.49 3bwo n SER 368 N -0.32 -0.12 -4.82 -1.43 3.41 -1.26 -1.86 113.62 107.21 3bwo n SER 368 Ca 0.29 -1.01 -0.33 0.00 -0.26 0.00 0.00 58.87 57.56 3bwo n SER 368 Cb 1.09 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 3bwo n SER 368 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bwo s ARG 369 N -3.38 3.94 0.13 4.33 3.52 -1.26 -3.48 118.95 122.74 3bwo s ARG 369 Ca 0.10 1.13 -0.28 0.00 -0.13 0.00 0.00 55.73 56.55 3bwo s ARG 369 Cb -0.00 -2.13 -0.08 0.00 -1.56 0.00 0.00 34.95 31.17 3bwo s ARG 369 CO 0.07 -0.29 1.48 0.93 -0.81 0.00 0.00 175.30 176.68 3bwo h GLU 370 N 1.34 -0.20 -0.66 5.12 4.39 -1.92 -0.77 114.58 121.88 3bwo h GLU 370 Ca -0.48 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.26 3bwo h GLU 370 Cb 1.19 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 3bwo h GLU 370 CO 0.60 -0.13 0.41 0.38 -1.16 0.00 0.00 179.01 179.11 3bwo h ASP 371 N -0.21 0.68 -0.77 1.42 -0.00 -1.99 -0.99 116.42 114.56 3bwo h ASP 371 Ca 0.09 -0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.17 3bwo h ASP 371 Cb 0.46 -0.15 -0.05 0.00 -0.00 0.00 0.00 39.33 39.59 3bwo h ASP 371 CO -0.65 0.48 0.47 0.58 -0.00 0.00 0.00 179.24 180.12 3bwo h VAL 372 N 0.82 1.04 0.50 4.15 2.07 -1.80 -1.08 116.25 121.95 3bwo h VAL 372 Ca 0.26 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3bwo h VAL 372 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3bwo h VAL 372 CO -0.10 0.16 -0.25 0.15 0.02 0.00 0.00 177.57 177.55 3bwo h PHE 373 N 0.88 -0.65 -0.58 1.57 3.57 -0.32 -1.82 116.94 119.58 3bwo h PHE 373 Ca 0.33 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.91 3bwo h PHE 373 Cb 0.12 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 3bwo h PHE 373 CO -0.05 -0.40 0.18 -0.91 -2.23 0.00 0.00 178.31 174.90 3bwo h ASN 374 N -0.69 0.13 -0.98 0.41 2.35 -0.95 -0.51 115.58 115.33 3bwo h ASN 374 Ca -0.07 0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3bwo h ASN 374 Cb 0.53 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.93 3bwo h ASN 374 CO 0.10 0.08 0.63 0.58 -1.65 0.00 0.00 177.43 177.18 3bwo h VAL 375 N 0.34 1.08 -0.63 2.81 2.07 -1.06 -1.27 116.25 119.58 3bwo h VAL 375 Ca 0.30 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3bwo h VAL 375 Cb 0.39 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3bwo h VAL 375 CO -0.33 0.21 0.21 0.15 0.02 0.00 0.00 177.57 177.83 3bwo h PHE 376 N 1.15 0.97 -0.43 1.57 3.04 -0.25 -1.68 116.94 121.31 3bwo h PHE 376 Ca 0.42 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 62.19 3bwo h PHE 376 Cb 0.16 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 3bwo h PHE 376 CO -0.01 0.77 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.85 3bwo h LEU 377 N 0.93 0.86 0.25 0.59 3.38 -0.22 -0.29 115.31 120.81 3bwo h LEU 377 Ca 0.21 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3bwo h LEU 377 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3bwo h LEU 377 CO -0.01 1.04 -0.20 -0.08 0.09 0.00 0.00 178.44 179.28 3bwo h GLU 378 N 0.67 -0.44 -0.26 1.13 4.81 -1.06 -2.39 114.58 117.04 3bwo h GLU 378 Ca 0.10 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3bwo h GLU 378 Cb 0.68 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3bwo h GLU 378 CO 0.05 -0.29 0.05 0.00 -0.73 0.00 0.00 179.01 178.09 3bwo h ARG 379 N -0.46 0.37 -0.32 1.92 3.08 -1.22 -2.74 114.38 115.01 3bwo h ARG 379 Ca -0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3bwo h ARG 379 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3bwo h ARG 379 CO -0.01 0.36 -0.09 1.25 -1.07 0.00 0.00 179.97 180.41 3bwo h LEU 380 N 0.37 0.64 -0.53 3.04 7.12 -0.69 -3.05 115.31 122.22 3bwo h LEU 380 Ca 0.09 -0.37 -0.07 0.00 0.13 0.00 0.00 57.88 57.66 3bwo h LEU 380 Cb 0.17 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 3bwo h LEU 380 CO -0.00 0.87 -0.32 0.00 -0.13 0.00 0.00 178.44 178.85 3bwo h ALA 381 N 0.80 0.87 -1.15 1.25 0.00 -1.40 -3.36 119.26 116.27 3bwo h ALA 381 Ca 0.08 -0.29 -0.79 0.00 0.00 0.00 0.00 54.91 53.91 3bwo h ALA 381 Cb 0.59 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.07 3bwo h ALA 381 CO 0.03 0.40 1.12 0.09 0.00 0.00 0.00 179.25 180.89 3bwo n ASN 382 N -3.29 7.43 -3.48 0.00 5.03 -1.04 -4.98 115.26 114.93 3bwo n ASN 382 Ca 0.01 -3.68 -0.10 0.00 0.87 0.00 0.00 54.58 51.68 3bwo n ASN 382 Cb 0.57 -1.16 -0.02 0.00 -1.02 0.00 0.00 39.78 38.14 3bwo n ASN 382 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bwo s MET 383 N -4.05 0.98 0.00 3.52 0.23 -1.26 -4.93 119.30 113.80 3bwo s MET 383 Ca 0.43 -0.31 0.00 0.00 -1.03 0.00 0.00 55.69 54.78 3bwo s MET 383 Cb 0.24 0.45 0.00 0.00 -1.53 0.00 0.00 34.83 33.99 3bwo s MET 383 CO -0.19 -0.42 0.01 1.17 -2.03 0.00 0.00 175.02 173.56