#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bvc s LEU 7 N 0.00 4.30 -0.31 2.46 1.02 -1.26 -5.09 118.68 119.80 3bvc s LEU 7 Ca 0.00 0.41 -0.12 0.00 0.02 0.00 0.00 54.13 54.44 3bvc s LEU 7 Cb 0.00 -3.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 3bvc s LEU 7 CO 0.00 0.09 0.21 -0.44 0.02 0.00 0.00 176.35 176.23 3bvc s SER 8 N -2.60 5.97 0.13 2.29 0.01 -1.26 -5.08 113.70 113.16 3bvc s SER 8 Ca 0.38 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.43 3bvc s SER 8 Cb -0.12 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3bvc s SER 8 CO 0.27 -0.16 -0.19 -0.76 0.41 0.00 0.00 173.24 172.80 3bvc s LEU 9 N 1.72 2.36 -1.24 2.44 1.43 -1.26 -4.86 118.68 119.28 3bvc s LEU 9 Ca 0.06 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 3bvc s LEU 9 Cb -0.17 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3bvc s LEU 9 CO 0.10 0.01 0.81 0.49 0.23 0.00 0.00 176.35 177.99 3bvc n PHE 10 N 0.71 -2.05 -2.33 0.29 3.72 -1.26 -4.93 117.46 111.62 3bvc n PHE 10 Ca -0.17 0.84 -0.42 0.00 -0.05 0.00 0.00 57.45 57.66 3bvc n PHE 10 Cb 0.55 -4.50 -0.03 0.00 -0.94 0.00 0.00 39.48 34.57 3bvc n PHE 10 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3bvc s VAL 11 N -3.54 3.68 -0.13 -4.37 1.01 -1.26 -5.03 120.40 110.76 3bvc s VAL 11 Ca 0.08 1.26 -0.25 0.00 0.00 0.00 0.00 61.98 63.08 3bvc s VAL 11 Cb -0.02 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3bvc s VAL 11 CO 0.78 0.13 0.79 -0.89 0.00 0.00 0.00 175.10 175.92 3bvc s THR 12 N 0.71 4.94 -0.19 3.92 2.01 -1.26 -5.07 115.64 120.70 3bvc s THR 12 Ca 0.58 1.58 -0.05 0.00 0.31 0.00 0.00 61.69 64.11 3bvc s THR 12 Cb -0.33 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 3bvc s THR 12 CO 0.32 0.10 -0.00 -0.13 -0.69 0.00 0.00 174.62 174.22 3bvc s ARG 13 N 1.68 3.67 -0.30 4.92 0.52 -1.26 -5.08 118.95 123.10 3bvc s ARG 13 Ca 0.38 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3bvc s ARG 13 Cb -0.17 -3.05 0.04 0.00 0.52 0.00 0.00 34.95 32.29 3bvc s ARG 13 CO 0.15 0.10 0.02 -1.17 0.02 0.00 0.00 175.30 174.41 3bvc s LEU 14 N 0.78 3.90 0.05 2.53 2.96 -1.26 -4.53 118.68 123.11 3bvc s LEU 14 Ca 0.00 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 3bvc s LEU 14 Cb -0.14 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3bvc s LEU 14 CO 0.02 -0.25 0.99 -0.47 -1.32 0.00 0.00 176.35 175.32 3bvc s TYR 15 N 1.31 3.70 -0.23 5.38 5.04 -0.48 -4.94 117.35 127.13 3bvc s TYR 15 Ca -0.03 1.71 -0.03 0.00 -2.44 0.00 0.00 57.07 56.28 3bvc s TYR 15 Cb -0.19 -3.12 0.12 0.00 0.35 0.00 0.00 41.96 39.12 3bvc s TYR 15 CO -0.00 -0.03 0.31 -1.58 -1.34 0.00 0.00 175.55 172.90 3bvc s HIS 16 N 0.58 -0.58 -0.08 4.97 2.46 -1.26 -1.09 115.29 120.29 3bvc s HIS 16 Ca 0.50 0.48 -0.21 0.00 0.47 0.00 0.00 55.06 56.30 3bvc s HIS 16 Cb -0.23 -0.18 0.05 0.00 -0.13 0.00 0.00 32.58 32.09 3bvc s HIS 16 CO 0.29 -0.70 0.49 0.00 -2.47 0.00 0.00 174.74 172.36 3bvc s ALA 17 N 2.44 -1.26 0.20 1.58 0.00 -1.14 -5.02 121.76 118.56 3bvc s ALA 17 Ca 0.10 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 3bvc s ALA 17 Cb -0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.61 3bvc s ALA 17 CO -0.16 -0.29 1.62 -2.14 0.00 0.00 0.00 175.76 174.79 3bvc s PRO 18 N -0.77 4.17 0.62 0.00 0.02 -1.26 -1.51 135.00 136.28 3bvc s PRO 18 Ca -0.08 2.48 0.29 0.00 0.02 0.00 0.00 61.00 63.71 3bvc s PRO 18 Cb -0.03 -3.10 1.56 0.00 0.02 0.00 0.00 34.50 32.95 3bvc s PRO 18 CO 0.05 -0.65 1.93 1.25 -0.33 0.00 0.00 177.00 179.25 3bvc h LEU 19 N 6.46 0.00 0.00 -5.54 5.85 -1.19 -0.74 115.31 120.15 3bvc h LEU 19 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3bvc h LEU 19 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3bvc h LEU 19 CO 0.91 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 177.47 3bvc n SER 20 N -3.40 0.00 0.22 1.25 3.41 -1.26 -3.09 113.62 110.75 3bvc n SER 20 Ca 0.03 -0.44 0.09 0.00 -0.26 0.00 0.00 58.87 58.29 3bvc n SER 20 Cb 0.51 -0.11 0.48 0.00 -0.26 0.00 0.00 64.21 64.83 3bvc n SER 20 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bvc h ASP 21 N 0.00 0.00 -5.07 4.04 5.19 -1.51 -3.45 116.42 115.62 3bvc h ASP 21 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 3bvc h ASP 21 Cb 0.07 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.42 3bvc h ASP 21 CO 0.00 0.25 -0.69 -1.00 -3.12 0.00 0.00 179.24 174.68 3bvc s HIS 22 N -3.77 0.56 0.03 4.55 3.76 -1.18 -5.10 115.29 114.14 3bvc s HIS 22 Ca -0.00 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 3bvc s HIS 22 Cb 0.11 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.42 3bvc s HIS 22 CO 0.64 -0.30 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3bvc n GLY 23 N 0.34 -1.64 3.83 -2.22 0.00 -1.26 -4.69 105.19 99.55 3bvc n GLY 23 Ca -0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 3bvc n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bvc s PRO 24 N -0.30 1.77 0.03 1.61 0.04 -1.26 -4.94 135.00 131.94 3bvc s PRO 24 Ca 0.00 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 3bvc s PRO 24 Cb 0.00 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 3bvc s PRO 24 CO 0.00 -1.77 1.72 0.00 0.04 0.00 0.00 177.00 176.99 3bvc s ALA 25 N -3.35 3.65 -0.34 8.56 0.00 -1.26 -4.93 121.76 124.09 3bvc s ALA 25 Ca 0.62 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 3bvc s ALA 25 Cb -0.13 -3.74 0.07 0.00 0.00 0.00 0.00 23.12 19.32 3bvc s ALA 25 CO 0.52 -1.29 0.06 0.42 0.00 0.00 0.00 175.76 175.48 3bvc s ILE 26 N 3.42 2.96 -0.09 0.00 1.01 -1.26 -5.03 121.20 122.20 3bvc s ILE 26 Ca 0.77 -1.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 3bvc s ILE 26 Cb -0.38 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3bvc s ILE 26 CO 0.33 -0.34 1.45 -0.62 0.00 0.00 0.00 174.94 175.76 3bvc s ASP 27 N 1.38 6.81 0.20 3.58 2.15 -1.26 -4.92 116.67 124.61 3bvc s ASP 27 Ca 0.01 1.99 -0.10 0.00 0.43 0.00 0.00 52.55 54.88 3bvc s ASP 27 Cb -0.21 -2.54 0.14 0.00 -0.30 0.00 0.00 42.92 40.01 3bvc s ASP 27 CO -0.03 -0.83 1.80 0.00 -0.17 0.00 0.00 175.17 175.94 3bvc h ALA 28 N 8.74 0.95 -0.41 3.66 0.00 -1.98 -0.98 119.26 129.24 3bvc h ALA 28 Ca -0.34 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3bvc h ALA 28 Cb 1.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3bvc h ALA 28 CO 0.95 0.50 -0.20 1.49 0.00 0.00 0.00 179.25 181.99 3bvc h GLU 29 N 1.03 0.79 -0.22 0.00 4.81 -1.94 -2.45 114.58 116.60 3bvc h GLU 29 Ca 0.25 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3bvc h GLU 29 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3bvc h GLU 29 CO -0.03 0.93 -0.32 1.49 -0.73 0.00 0.00 179.01 180.34 3bvc h GLU 30 N 0.70 0.45 -0.31 1.92 4.81 -1.87 -2.97 114.58 117.31 3bvc h GLU 30 Ca 0.10 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 3bvc h GLU 30 Cb 0.71 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3bvc h GLU 30 CO 0.05 0.72 -0.46 1.98 -0.73 0.00 0.00 179.01 180.58 3bvc h MET 31 N 0.38 0.80 -0.26 1.92 4.05 -1.04 -2.53 114.93 118.26 3bvc h MET 31 Ca 0.05 -0.46 -0.01 0.00 -0.28 0.00 0.00 59.70 59.00 3bvc h MET 31 Cb 0.75 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 3bvc h MET 31 CO 0.06 1.09 0.11 1.49 0.23 0.00 0.00 176.91 179.89 3bvc h GLU 32 N 0.64 0.38 0.00 0.39 4.81 -1.37 -2.30 114.58 117.12 3bvc h GLU 32 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3bvc h GLU 32 Cb 1.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3bvc h GLU 32 CO 0.10 0.39 -0.30 0.66 -0.73 0.00 0.00 179.01 179.13 3bvc h SER 33 N 0.27 0.00 -0.25 1.04 4.64 -1.58 -2.73 113.55 114.95 3bvc h SER 33 Ca 0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3bvc h SER 33 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3bvc h SER 33 CO -0.01 0.30 0.03 0.28 -0.87 0.00 0.00 176.83 176.56 3bvc h SER 34 N 0.00 0.40 -0.45 4.97 0.02 -1.10 -1.68 113.55 115.71 3bvc h SER 34 Ca -0.00 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 3bvc h SER 34 Cb 0.74 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3bvc h SER 34 CO 0.04 0.57 -0.10 0.00 -1.14 0.00 0.00 176.83 176.20 3bvc h TYR 36 N 0.82 1.11 -0.47 0.00 0.05 -1.48 -1.22 116.97 115.79 3bvc h TYR 36 Ca 0.13 -0.17 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 3bvc h TYR 36 Cb 0.63 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3bvc h TYR 36 CO 0.04 0.96 -0.10 0.00 -1.05 0.00 0.00 178.16 178.01 3bvc h ALA 37 N 1.01 0.93 -0.07 3.88 0.00 -1.04 -2.15 119.26 121.83 3bvc h ALA 37 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3bvc h ALA 37 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3bvc h ALA 37 CO 0.02 0.62 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 3bvc h ILE 38 N 0.77 1.32 -0.15 0.00 2.04 -1.14 -2.95 117.51 117.42 3bvc h ILE 38 Ca 0.13 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3bvc h ILE 38 Cb 0.60 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3bvc h ILE 38 CO 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 178.15 178.39 3bvc h ALA 39 N 0.63 1.59 -0.02 1.87 0.00 -1.16 0.49 119.26 122.66 3bvc h ALA 39 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3bvc h ALA 39 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3bvc h ALA 39 CO 0.01 0.30 -0.12 0.39 0.00 0.00 0.00 179.25 179.83 3bvc n GLU 40 N -4.32 1.54 -0.06 0.00 1.02 -0.82 -3.83 120.64 114.18 3bvc n GLU 40 Ca -0.01 -1.05 -0.05 0.00 -0.02 0.00 0.00 57.16 56.03 3bvc n GLU 40 Cb 0.23 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 3bvc n GLU 40 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3bvc n ASP 41 N 0.19 1.59 -4.57 1.62 2.03 -0.96 -4.79 116.55 111.66 3bvc n ASP 41 Ca 0.15 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.10 3bvc n ASP 41 Cb 0.42 0.96 -0.03 0.00 -0.72 0.00 0.00 41.12 41.75 3bvc n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3bvc s ASP 42 N -4.55 6.00 0.37 1.67 2.15 0.12 -4.75 116.67 117.68 3bvc s ASP 42 Ca -0.07 -1.80 0.18 0.00 0.43 0.00 0.00 52.55 51.29 3bvc s ASP 42 Cb 0.05 -2.58 0.69 0.00 -0.30 0.00 0.00 42.92 40.78 3bvc s ASP 42 CO 0.57 -2.03 1.75 -0.33 -0.17 0.00 0.00 175.17 174.96 3bvc h GLU 43 N 9.11 0.00 0.00 4.34 4.39 -1.87 -2.04 114.58 128.51 3bvc h GLU 43 Ca 0.29 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 3bvc h GLU 43 Cb 0.93 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 3bvc h GLU 43 CO 1.35 0.38 -0.62 0.00 -1.16 0.00 0.00 179.01 178.96 3bvc h ALA 44 N 1.62 0.93 -0.07 3.43 0.00 -1.97 -0.63 119.26 122.57 3bvc h ALA 44 Ca -0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 3bvc h ALA 44 Cb 0.87 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3bvc h ALA 44 CO 0.05 0.78 -0.65 0.78 0.00 0.00 0.00 179.25 180.21 3bvc h GLY 45 N 1.97 0.63 1.00 0.00 0.00 -1.78 -0.60 103.07 104.29 3bvc h GLY 45 Ca -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.34 3bvc h GLY 45 CO 0.08 0.86 0.33 1.46 0.00 0.00 0.00 176.54 179.27 3bvc h GLN 46 N 0.18 0.92 -0.40 4.80 4.20 -1.41 -2.31 115.11 121.09 3bvc h GLN 46 Ca -0.06 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 3bvc h GLN 46 Cb 1.31 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3bvc h GLN 46 CO 0.13 0.72 -0.04 0.78 -0.67 0.00 0.00 178.83 179.75 3bvc h GLY 47 N 0.89 0.71 1.93 3.46 0.00 -1.10 -1.01 103.07 107.96 3bvc h GLY 47 Ca 0.23 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 3bvc h GLY 47 CO -0.03 0.44 -0.71 -0.25 0.00 0.00 0.00 176.54 175.99 3bvc h TRP 48 N 0.62 0.09 -0.01 5.60 7.01 -0.95 -0.83 115.95 127.47 3bvc h TRP 48 Ca 0.12 -0.04 -0.19 0.00 2.11 0.00 0.00 58.89 60.89 3bvc h TRP 48 Cb 0.45 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 3bvc h TRP 48 CO 0.02 0.75 -0.82 0.00 -2.79 0.00 0.00 178.44 175.60 3bvc h GLU 50 N 0.11 0.46 -0.01 0.00 4.81 -1.11 0.71 114.58 119.56 3bvc h GLU 50 Ca -0.03 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 3bvc h GLU 50 Cb 1.43 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 3bvc h GLU 50 CO 0.12 0.92 -0.45 0.93 -0.73 0.00 0.00 179.01 179.81 3bvc h GLU 51 N 0.07 0.01 0.00 1.92 5.08 -1.19 -2.98 114.58 117.49 3bvc h GLU 51 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3bvc h GLU 51 Cb 0.93 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3bvc h GLU 51 CO 0.07 0.46 -1.04 -1.71 -1.00 0.00 0.00 179.01 175.79 3bvc n ASN 52 N -4.01 0.73 -0.98 1.42 2.85 -0.78 -4.96 115.26 109.52 3bvc n ASN 52 Ca -0.02 0.20 -0.08 0.00 -0.11 0.00 0.00 54.58 54.57 3bvc n ASN 52 Cb 0.47 0.58 -0.00 0.00 1.24 0.00 0.00 39.78 42.07 3bvc n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3bvc n GLY 53 N 1.23 0.06 3.71 8.20 0.00 -0.43 -4.99 105.19 112.96 3bvc n GLY 53 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3bvc n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bvc s TYR 54 N -2.45 3.43 -0.58 1.61 6.14 0.11 -4.95 117.35 120.66 3bvc s TYR 54 Ca 0.02 1.37 -0.26 0.00 0.64 0.00 0.00 57.07 58.84 3bvc s TYR 54 Cb -0.01 -3.35 -0.06 0.00 0.42 0.00 0.00 41.96 38.96 3bvc s TYR 54 CO 0.02 -0.99 2.23 -1.25 0.64 0.00 0.00 175.55 176.20 3bvc s PRO 55 N 1.34 2.22 0.00 4.97 0.04 -1.26 -4.74 135.00 137.57 3bvc s PRO 55 Ca 0.56 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3bvc s PRO 55 Cb -0.26 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.70 3bvc s PRO 55 CO 0.27 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.46 3bvc n GLY 56 N 6.05 0.22 3.27 0.56 0.00 -1.26 -4.69 105.19 109.33 3bvc n GLY 56 Ca 0.33 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 3bvc n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bvc s TYR 57 N 0.00 2.02 0.05 1.61 6.14 0.02 -4.90 117.35 122.29 3bvc s TYR 57 Ca 0.00 -0.38 0.01 0.00 0.64 0.00 0.00 57.07 57.33 3bvc s TYR 57 Cb 0.00 -1.26 -0.03 0.00 0.42 0.00 0.00 41.96 41.09 3bvc s TYR 57 CO 0.00 0.03 -0.05 -0.08 0.64 0.00 0.00 175.55 176.09 3bvc s THR 58 N -0.65 0.35 -1.19 4.34 -1.32 -1.26 -1.39 115.64 114.53 3bvc s THR 58 Ca 0.09 -1.42 0.16 0.00 -1.21 0.00 0.00 61.69 59.31 3bvc s THR 58 Cb -0.09 -0.99 0.48 0.00 -1.51 0.00 0.00 72.50 70.39 3bvc s THR 58 CO 0.00 -0.70 1.40 -1.54 -2.21 0.00 0.00 174.62 171.58 3bvc n SER 59 N 0.80 3.56 0.06 8.08 3.41 -1.07 -4.70 113.62 123.76 3bvc n SER 59 Ca -0.18 -2.15 0.02 0.00 -0.26 0.00 0.00 58.87 56.30 3bvc n SER 59 Cb 0.58 -0.38 0.38 0.00 -0.26 0.00 0.00 64.21 64.52 3bvc n SER 59 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3bvc h TYR 60 N 2.94 0.38 -0.01 7.33 3.20 -1.83 -1.13 116.97 127.85 3bvc h TYR 60 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3bvc h TYR 60 Cb 0.97 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3bvc h TYR 60 CO 0.40 0.40 -0.09 0.00 -1.64 0.00 0.00 178.16 177.24 3bvc n ALA 61 N -2.49 2.63 -0.00 1.82 0.00 -1.26 -4.68 120.51 116.53 3bvc n ALA 61 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3bvc n ALA 61 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 3bvc n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bvc n SER 62 N 0.26 4.74 -4.10 0.00 3.41 -1.12 -5.05 113.62 111.76 3bvc n SER 62 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 3bvc n SER 62 Cb 0.25 0.85 -0.11 0.00 -0.26 0.00 0.00 64.21 64.94 3bvc n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bvc s LEU 63 N -3.46 2.30 0.00 1.04 1.43 -0.44 -4.94 118.68 114.61 3bvc s LEU 63 Ca -0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3bvc s LEU 63 Cb 0.01 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.02 3bvc s LEU 63 CO 0.05 -0.22 0.00 0.35 0.23 0.00 0.00 176.35 176.75 3bvc n THR 64 N 1.20 0.00 -3.29 5.49 -2.24 -1.26 -4.62 114.28 109.56 3bvc n THR 64 Ca -0.21 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.11 3bvc n THR 64 Cb 0.55 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 3bvc n THR 64 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3bvc s ASP 65 N 0.64 6.49 0.08 3.42 -4.77 -1.26 -4.61 116.67 116.67 3bvc s ASP 65 Ca 0.00 -2.22 0.01 0.00 -3.30 0.00 0.00 52.55 47.04 3bvc s ASP 65 Cb 0.00 -2.22 -0.25 0.00 -1.09 0.00 0.00 42.92 39.36 3bvc s ASP 65 CO 0.00 -0.74 1.13 -0.07 0.70 0.00 0.00 175.17 176.19 3bvc h LEU 66 N 8.48 0.22 -1.54 2.11 3.38 -1.93 -3.15 115.31 122.89 3bvc h LEU 66 Ca -0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3bvc h LEU 66 Cb 1.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3bvc h LEU 66 CO 0.90 1.20 -0.23 1.55 0.09 0.00 0.00 178.44 181.96 3bvc h PRO 67 N 0.04 0.00 0.00 1.13 0.13 -1.83 -0.79 132.00 130.67 3bvc h PRO 67 Ca -0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 3bvc h PRO 67 Cb 1.90 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 33.01 3bvc h PRO 67 CO 0.16 0.23 -0.52 2.35 -0.23 0.00 0.00 178.00 179.99 3bvc h TRP 68 N 0.00 0.00 0.08 1.56 7.01 -1.94 -3.35 115.95 119.31 3bvc h TRP 68 Ca -0.00 0.00 -0.31 0.00 2.11 0.00 0.00 58.89 60.69 3bvc h TRP 68 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 3bvc h TRP 68 CO 0.00 0.52 -1.66 0.00 -2.79 0.00 0.00 178.44 174.51 3bvc h ARG 69 N 0.00 0.16 -5.03 2.65 3.08 -1.50 -3.47 114.38 110.27 3bvc h ARG 69 Ca -0.01 -0.27 -0.65 0.00 0.07 0.00 0.00 59.98 59.13 3bvc h ARG 69 Cb 0.94 0.10 -0.34 0.00 0.08 0.00 0.00 29.97 30.74 3bvc h ARG 69 CO 0.07 1.13 -0.86 -0.06 -1.07 0.00 0.00 179.97 179.18 3bvc s PHE 70 N -2.47 2.47 0.28 3.04 0.08 -0.34 -5.04 117.98 116.00 3bvc s PHE 70 Ca -0.25 -1.27 0.02 0.00 0.12 0.00 0.00 56.93 55.55 3bvc s PHE 70 Cb 0.06 -1.71 0.64 0.00 -0.57 0.00 0.00 43.02 41.44 3bvc s PHE 70 CO 0.70 -0.61 1.76 -1.35 -0.10 0.00 0.00 175.22 175.62 3bvc h PRO 71 N 7.48 0.62 0.00 0.24 0.11 -1.87 -1.95 132.00 136.63 3bvc h PRO 71 Ca -0.34 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 3bvc h PRO 71 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3bvc h PRO 71 CO 0.55 0.41 -0.28 0.97 -0.21 0.00 0.00 178.00 179.44 3bvc h ILE 72 N 0.64 0.98 0.00 4.15 2.10 -1.95 -2.50 117.51 120.94 3bvc h ILE 72 Ca 0.52 -1.03 -0.18 0.00 1.08 0.00 0.00 64.86 65.26 3bvc h ILE 72 Cb 0.80 1.59 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 3bvc h ILE 72 CO -0.39 0.27 -0.84 -0.26 -1.08 0.00 0.00 178.15 175.85 3bvc h PHE 73 N 0.00 0.00 -0.66 2.19 -1.00 -1.66 -1.40 116.94 114.41 3bvc h PHE 73 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 3bvc h PHE 73 Cb 0.57 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 3bvc h PHE 73 CO 0.00 0.84 0.10 0.00 -1.61 0.00 0.00 178.31 177.64 3bvc h ALA 74 N 1.16 0.92 0.00 2.45 0.00 -1.36 0.78 119.26 123.21 3bvc h ALA 74 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3bvc h ALA 74 Cb 1.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3bvc h ALA 74 CO 0.11 0.67 -0.34 -0.44 0.00 0.00 0.00 179.25 179.24 3bvc h ASP 75 N 1.02 0.00 -0.04 0.00 3.32 -1.37 -2.35 116.42 117.01 3bvc h ASP 75 Ca 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3bvc h ASP 75 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3bvc h ASP 75 CO 0.01 0.34 -0.08 0.25 -1.72 0.00 0.00 179.24 178.04 3bvc h LEU 76 N 0.00 0.14 -0.61 1.55 5.85 -0.76 -3.20 115.31 118.28 3bvc h LEU 76 Ca -0.00 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.19 3bvc h LEU 76 Cb 0.67 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3bvc h LEU 76 CO 0.04 0.68 0.35 0.58 -0.34 0.00 0.00 178.44 179.75 3bvc h VAL 77 N -0.40 1.00 -0.86 1.05 2.07 -0.72 -0.25 116.25 118.15 3bvc h VAL 77 Ca 0.00 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3bvc h VAL 77 Cb 0.66 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3bvc h VAL 77 CO 0.02 0.12 0.51 0.50 0.02 0.00 0.00 177.57 178.74 3bvc h LYS 78 N 0.66 0.87 -0.19 1.57 1.63 -1.55 0.11 116.57 119.68 3bvc h LYS 78 Ca 0.26 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3bvc h LYS 78 Cb 0.12 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3bvc h LYS 78 CO -0.15 0.58 -0.03 1.03 -3.45 0.00 0.00 179.45 177.43 3bvc h SER 79 N 0.90 0.35 -0.68 4.20 0.87 -1.31 -3.17 113.55 114.70 3bvc h SER 79 Ca 0.39 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3bvc h SER 79 Cb 0.28 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3bvc h SER 79 CO -0.21 0.62 0.35 -0.07 -0.53 0.00 0.00 176.83 176.98 3bvc h LEU 80 N 0.08 0.89 -0.23 2.23 3.38 -0.58 -0.83 115.31 120.24 3bvc h LEU 80 Ca 0.05 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3bvc h LEU 80 Cb 0.46 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3bvc h LEU 80 CO 0.02 0.75 -0.20 0.44 0.09 0.00 0.00 178.44 179.53 3bvc h ASP 81 N 0.99 -0.66 -0.13 -0.43 3.32 -0.80 0.13 116.42 118.84 3bvc h ASP 81 Ca 0.24 0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 3bvc h ASP 81 Cb 0.08 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3bvc h ASP 81 CO -0.03 -0.24 -0.27 0.00 -1.72 0.00 0.00 179.24 176.97 3bvc h ALA 82 N 0.88 0.97 0.30 3.45 0.00 -1.44 -0.56 119.26 122.87 3bvc h ALA 82 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3bvc h ALA 82 Cb 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3bvc h ALA 82 CO -0.36 0.60 -0.17 0.45 0.00 0.00 0.00 179.25 179.78 3bvc h HIS 83 N 0.52 -0.43 -0.32 0.00 3.86 -0.70 -2.16 115.15 115.92 3bvc h HIS 83 Ca 0.07 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3bvc h HIS 83 Cb 0.74 0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3bvc h HIS 83 CO 0.03 -0.26 0.08 0.28 0.86 0.00 0.00 177.93 178.92 3bvc h VAL 84 N -0.44 1.22 -0.42 2.45 2.07 -0.63 -1.81 116.25 118.69 3bvc h VAL 84 Ca -0.03 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3bvc h VAL 84 Cb 0.35 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3bvc h VAL 84 CO 0.05 0.24 0.27 0.00 0.02 0.00 0.00 177.57 178.15 3bvc h ALA 85 N 0.92 1.68 -0.05 1.67 0.00 -1.12 0.37 119.26 122.72 3bvc h ALA 85 Ca 0.10 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3bvc h ALA 85 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3bvc h ALA 85 CO 0.00 0.29 -0.67 0.00 0.00 0.00 0.00 179.25 178.87 3bvc h ALA 86 N 1.72 0.77 -0.02 0.00 0.00 -1.16 -2.76 119.26 117.81 3bvc h ALA 86 Ca 0.15 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 3bvc h ALA 86 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3bvc h ALA 86 CO -0.03 0.77 -0.74 0.35 0.00 0.00 0.00 179.25 179.60 3bvc h PHE 87 N 0.16 0.19 -0.43 0.00 3.57 -0.23 -2.43 116.94 117.77 3bvc h PHE 87 Ca -0.02 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 3bvc h PHE 87 Cb 1.20 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3bvc h PHE 87 CO 0.02 0.83 0.04 0.00 -2.23 0.00 0.00 178.31 176.97 3bvc h ALA 88 N 1.15 1.28 0.00 2.41 0.00 -0.30 -1.15 119.26 122.64 3bvc h ALA 88 Ca -0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3bvc h ALA 88 Cb 1.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3bvc h ALA 88 CO 0.11 0.49 -0.51 0.93 0.00 0.00 0.00 179.25 180.27 3bvc h GLU 89 N 0.64 0.00 -0.30 0.00 4.39 -1.34 0.21 114.58 118.18 3bvc h GLU 89 Ca 0.14 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 3bvc h GLU 89 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3bvc h GLU 89 CO 0.01 0.51 -0.47 0.22 -1.16 0.00 0.00 179.01 178.12 3bvc h ASP 90 N 0.00 0.88 1.31 1.42 3.58 -0.99 -3.08 116.42 119.54 3bvc h ASP 90 Ca -0.01 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.01 3bvc h ASP 90 Cb 1.10 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.90 3bvc h ASP 90 CO 0.07 1.20 0.00 0.18 -2.88 0.00 0.00 179.24 177.81 3bvc n LEU 91 N -4.02 0.61 -3.67 2.28 4.77 -0.48 -4.96 117.00 111.54 3bvc n LEU 91 Ca -0.03 0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 56.22 3bvc n LEU 91 Cb 0.58 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3bvc n LEU 91 CO 0.48 -0.16 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.70 3bvc n GLU 92 N -2.08 -1.20 -2.88 3.23 1.02 0.04 -4.98 120.64 113.79 3bvc n GLU 92 Ca 0.06 0.53 -0.36 0.00 -0.02 0.00 0.00 57.16 57.37 3bvc n GLU 92 Cb 0.39 -4.02 -0.06 0.00 -0.02 0.00 0.00 31.44 27.73 3bvc n GLU 92 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3bvc s PHE 93 N -3.40 3.59 -0.51 -0.32 0.08 -1.13 -5.03 117.98 111.26 3bvc s PHE 93 Ca 0.42 1.63 -0.25 0.00 0.12 0.00 0.00 56.93 58.85 3bvc s PHE 93 Cb -0.15 -2.82 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 3bvc s PHE 93 CO 0.86 0.17 0.93 0.34 -0.10 0.00 0.00 175.22 177.42 3bvc s ASP 94 N -1.77 6.40 0.00 1.36 3.68 -1.26 -4.89 116.67 120.19 3bvc s ASP 94 Ca 0.51 -0.16 0.20 0.00 2.13 0.00 0.00 52.55 55.23 3bvc s ASP 94 Cb -0.16 -2.44 -0.09 0.00 -1.45 0.00 0.00 42.92 38.78 3bvc s ASP 94 CO 0.21 -1.15 0.95 0.18 0.13 0.00 0.00 175.17 175.49 3bvc n LEU 95 N 7.32 1.53 0.00 -1.34 4.77 -1.26 -5.06 117.00 122.96 3bvc n LEU 95 Ca 0.03 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3bvc n LEU 95 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3bvc n LEU 95 CO 0.64 0.31 0.00 0.47 -1.33 0.00 0.00 177.39 177.48 3bvc n ASP 96 N -0.61 0.00 0.09 -1.43 8.00 -1.26 -2.20 116.55 119.14 3bvc n ASP 96 Ca 0.07 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.50 3bvc n ASP 96 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 3bvc n ASP 96 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3bvc h GLY 97 N 0.00 0.12 -4.54 0.44 0.00 -2.05 -3.46 103.07 93.59 3bvc h GLY 97 Ca 0.00 -0.21 -0.54 0.00 0.00 0.00 0.00 47.33 46.58 3bvc h GLY 97 CO 0.00 0.18 0.50 0.50 0.00 0.00 0.00 176.54 177.72 3bvc s ARG 98 N -3.19 4.47 0.63 4.80 3.00 -0.93 -5.06 118.95 122.67 3bvc s ARG 98 Ca -0.02 1.54 -0.06 0.00 0.00 0.00 0.00 55.73 57.19 3bvc s ARG 98 Cb 0.11 -3.46 0.02 0.00 0.00 0.00 0.00 34.95 31.62 3bvc s ARG 98 CO 0.81 -0.21 0.94 0.00 0.00 0.00 0.00 175.30 176.85 3bvc s ALA 99 N 1.37 3.24 -0.15 2.13 0.00 -1.26 -4.77 121.76 122.32 3bvc s ALA 99 Ca 0.54 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 3bvc s ALA 99 Cb -0.23 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 3bvc s ALA 99 CO 0.26 -0.95 0.87 -0.51 0.00 0.00 0.00 175.76 175.43 3bvc s LEU 100 N -5.08 4.20 0.18 0.00 1.43 -1.26 -3.81 118.68 114.33 3bvc s LEU 100 Ca 0.56 1.26 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 3bvc s LEU 100 Cb -0.11 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3bvc s LEU 100 CO 0.45 -0.40 0.07 -1.61 0.23 0.00 0.00 176.35 175.09 3bvc s GLU 101 N 2.08 2.65 -0.02 1.70 0.41 -0.56 -4.94 118.70 120.02 3bvc s GLU 101 Ca 0.41 -1.02 -0.27 0.00 -0.41 0.00 0.00 54.97 53.68 3bvc s GLU 101 Cb -0.17 -2.49 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 3bvc s GLU 101 CO 0.14 0.46 0.87 -1.17 -0.49 0.00 0.00 175.26 175.07 3bvc s LEU 102 N -3.10 4.35 -0.11 1.80 2.96 -1.26 -0.87 118.68 122.45 3bvc s LEU 102 Ca 0.29 1.47 0.06 0.00 -0.22 0.00 0.00 54.13 55.74 3bvc s LEU 102 Cb -0.09 -3.38 -0.11 0.00 0.50 0.00 0.00 46.19 43.11 3bvc s LEU 102 CO 0.21 -0.20 -0.02 1.21 -1.32 0.00 0.00 176.35 176.23 3bvc n GLU 103 N 3.84 1.64 -4.39 1.98 2.13 -0.17 -4.92 120.64 120.74 3bvc n GLU 103 Ca 0.03 0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.68 3bvc n GLU 103 Cb 0.51 -1.26 -0.14 0.00 0.27 0.00 0.00 31.44 30.82 3bvc n GLU 103 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3bvc s ASP 104 N -4.58 1.21 -0.23 4.31 1.01 -1.12 -4.99 116.67 112.27 3bvc s ASP 104 Ca -0.09 -0.23 -0.08 0.00 0.71 0.00 0.00 52.55 52.86 3bvc s ASP 104 Cb 0.03 -0.12 0.11 0.00 1.01 0.00 0.00 42.92 43.95 3bvc s ASP 104 CO 0.37 0.10 0.49 -0.22 0.21 0.00 0.00 175.17 176.11 3bvc s LEU 105 N -0.41 -0.80 0.09 1.23 2.96 -1.26 0.02 118.68 120.51 3bvc s LEU 105 Ca 0.03 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 3bvc s LEU 105 Cb -0.05 1.63 -0.04 0.00 0.50 0.00 0.00 46.19 48.23 3bvc s LEU 105 CO -0.00 -0.23 -0.02 -1.66 -1.32 0.00 0.00 176.35 173.12 3bvc s TRP 106 N 2.70 0.76 -0.16 5.38 -2.14 0.19 -4.76 118.94 120.90 3bvc s TRP 106 Ca -0.02 -1.06 -0.07 0.00 2.66 0.00 0.00 56.10 57.61 3bvc s TRP 106 Cb -0.12 -0.48 -0.04 0.00 -3.10 0.00 0.00 33.47 29.73 3bvc s TRP 106 CO -0.15 -0.33 0.09 0.42 -2.66 0.00 0.00 176.95 174.32 3bvc s ILE 107 N -3.84 5.07 -0.15 0.66 1.01 -1.26 -1.12 121.20 121.56 3bvc s ILE 107 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 3bvc s ILE 107 Cb 0.07 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3bvc s ILE 107 CO -0.05 0.51 -0.08 0.20 0.00 0.00 0.00 174.94 175.52 3bvc s ASN 108 N -0.09 4.37 -0.29 3.58 0.01 0.14 -2.60 114.94 120.06 3bvc s ASN 108 Ca 0.08 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.01 3bvc s ASN 108 Cb -0.12 -1.70 0.08 0.00 0.41 0.00 0.00 41.25 39.92 3bvc s ASN 108 CO 0.01 0.14 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.06 3bvc s ILE 109 N 0.53 2.24 -0.22 0.60 1.01 -0.49 -1.04 121.20 123.82 3bvc s ILE 109 Ca -0.06 -1.93 -0.07 0.00 0.00 0.00 0.00 60.65 58.59 3bvc s ILE 109 Cb -0.15 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3bvc s ILE 109 CO 0.03 -0.27 0.06 -0.22 0.00 0.00 0.00 174.94 174.54 3bvc s LEU 110 N 1.02 3.55 0.00 2.97 2.96 -0.11 -0.80 118.68 128.27 3bvc s LEU 110 Ca -0.01 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3bvc s LEU 110 Cb -0.20 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3bvc s LEU 110 CO -0.06 0.05 0.27 -0.81 -1.32 0.00 0.00 176.35 174.48 3bvc n PRO 111 N 4.36 0.37 -1.87 0.98 -0.05 -1.26 0.40 135.00 137.92 3bvc n PRO 111 Ca -0.16 -0.70 -0.38 0.00 -0.05 0.00 0.00 63.50 62.21 3bvc n PRO 111 Cb 0.52 -0.19 -0.03 0.00 -0.05 0.00 0.00 33.50 33.75 3bvc n PRO 111 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 3bvc s GLU 112 N -3.15 2.58 0.00 0.54 2.12 -1.26 -2.25 118.70 117.28 3bvc s GLU 112 Ca 0.18 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.53 3bvc s GLU 112 Cb -0.01 -4.42 0.00 0.00 0.26 0.00 0.00 34.13 29.96 3bvc s GLU 112 CO 0.12 -2.76 0.00 0.41 -0.54 0.00 0.00 175.26 172.48 3bvc n GLY 113 N 5.76 1.19 3.78 -1.50 0.00 -0.98 -5.03 105.19 108.41 3bvc n GLY 113 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3bvc n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bvc s GLY 114 N -1.60 2.22 0.04 -0.02 0.00 -0.95 -4.72 107.32 102.28 3bvc s GLY 114 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 44.72 45.07 3bvc s GLY 114 CO 0.00 0.87 0.40 -0.56 0.00 0.00 0.00 173.10 173.80 3bvc s SER 115 N -2.52 -0.27 -0.07 1.64 0.01 -1.26 -2.78 113.70 108.45 3bvc s SER 115 Ca 0.66 -0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.97 3bvc s SER 115 Cb -0.19 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 3bvc s SER 115 CO 0.37 -0.64 -0.24 -1.00 0.41 0.00 0.00 173.24 172.14 3bvc s HIS 116 N -2.38 2.49 0.98 2.43 3.76 -0.86 -4.81 115.29 116.90 3bvc s HIS 116 Ca -0.06 -0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 53.97 3bvc s HIS 116 Cb -0.01 -1.63 0.18 0.00 1.11 0.00 0.00 32.58 32.22 3bvc s HIS 116 CO -0.02 -0.25 1.09 0.00 -0.85 0.00 0.00 174.74 174.72 3bvc s ALA 117 N -0.06 0.94 0.10 -1.40 0.00 -1.26 -3.01 121.76 117.07 3bvc s ALA 117 Ca -0.07 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 3bvc s ALA 117 Cb -0.15 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3bvc s ALA 117 CO 0.05 -2.91 1.57 0.45 0.00 0.00 0.00 175.76 174.92 3bvc s SER 118 N -2.91 6.64 0.19 0.00 0.15 -1.26 -4.59 113.70 111.92 3bvc s SER 118 Ca 0.66 2.48 -0.21 0.00 0.70 0.00 0.00 55.95 59.58 3bvc s SER 118 Cb -0.22 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.57 3bvc s SER 118 CO 0.60 -0.83 0.58 -1.38 1.20 0.00 0.00 173.24 173.41 3bvc s HIS 119 N 1.97 -0.35 0.37 3.44 -3.43 -0.69 -4.95 115.29 111.64 3bvc s HIS 119 Ca 0.71 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.03 3bvc s HIS 119 Cb -0.40 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.27 3bvc s HIS 119 CO 0.31 -0.92 0.02 0.44 -2.00 0.00 0.00 174.74 172.59 3bvc n ILE 120 N -0.37 0.00 -3.72 -5.38 -5.35 -1.26 -2.11 119.36 101.17 3bvc n ILE 120 Ca -0.13 -1.79 -0.30 0.00 -0.27 0.00 0.00 62.75 60.26 3bvc n ILE 120 Cb 0.63 0.40 -0.14 0.00 -1.74 0.00 0.00 39.64 38.79 3bvc n ILE 120 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3bvc s HIS 121 N -2.41 1.79 0.80 4.28 3.76 -1.03 -5.08 115.29 117.39 3bvc s HIS 121 Ca 0.02 -1.97 -0.13 0.00 -0.15 0.00 0.00 55.06 52.83 3bvc s HIS 121 Cb 0.00 -1.76 0.08 0.00 1.11 0.00 0.00 32.58 32.01 3bvc s HIS 121 CO 0.02 -0.85 1.18 -1.25 -0.85 0.00 0.00 174.74 172.99 3bvc s PRO 122 N 1.19 1.74 -1.58 8.40 0.04 -1.26 -3.63 135.00 139.90 3bvc s PRO 122 Ca 0.13 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3bvc s PRO 122 Cb -0.20 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3bvc s PRO 122 CO -0.15 -2.12 0.00 0.72 0.04 0.00 0.00 177.00 175.49 3bvc n HIS 123 N -3.29 -0.79 -4.25 0.56 8.25 -1.26 -4.97 115.22 109.47 3bvc n HIS 123 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 3bvc n HIS 123 Cb 0.51 -3.23 -0.11 0.00 1.12 0.00 0.00 29.99 28.27 3bvc n HIS 123 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3bvc s SER 124 N -2.20 2.04 -0.19 0.41 0.01 -1.24 -4.74 113.70 107.79 3bvc s SER 124 Ca 0.00 -0.83 -0.17 0.00 1.31 0.00 0.00 55.95 56.26 3bvc s SER 124 Cb 0.00 -0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.09 3bvc s SER 124 CO 0.00 -0.15 -0.34 0.52 0.41 0.00 0.00 173.24 173.68 3bvc n VAL 125 N 0.44 1.49 -4.93 3.43 0.31 0.78 -4.56 118.33 115.28 3bvc n VAL 125 Ca -0.15 0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 3bvc n VAL 125 Cb 0.57 -2.24 -0.15 0.00 -0.91 0.00 0.00 33.84 31.12 3bvc n VAL 125 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3bvc s ILE 126 N -2.81 2.77 0.16 2.52 -1.09 -0.97 -1.49 121.20 120.29 3bvc s ILE 126 Ca -0.30 -0.78 0.10 0.00 -2.23 0.00 0.00 60.65 57.44 3bvc s ILE 126 Cb 0.06 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 3bvc s ILE 126 CO 0.43 0.55 -0.19 -0.44 -1.23 0.00 0.00 174.94 174.06 3bvc s SER 127 N 0.07 3.77 0.23 3.58 0.01 -0.32 -0.19 113.70 120.85 3bvc s SER 127 Ca -0.07 -0.68 -0.23 0.00 1.31 0.00 0.00 55.95 56.28 3bvc s SER 127 Cb -0.15 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.66 3bvc s SER 127 CO 0.05 0.14 0.81 -0.83 0.41 0.00 0.00 173.24 173.83 3bvc s GLY 128 N -2.47 -0.16 -0.13 3.44 0.00 -0.69 -1.25 107.32 106.07 3bvc s GLY 128 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 3bvc s GLY 128 CO 0.11 -0.05 0.26 -1.59 0.00 0.00 0.00 173.10 171.83 3bvc s THR 129 N -3.66 -0.41 0.23 0.90 2.01 -0.69 -0.97 115.64 113.05 3bvc s THR 129 Ca 0.11 0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 3bvc s THR 129 Cb -0.04 -0.44 -0.07 0.00 0.01 0.00 0.00 72.50 71.96 3bvc s THR 129 CO 0.05 0.12 0.55 0.28 -0.69 0.00 0.00 174.62 174.93 3bvc s THR 130 N 2.41 4.94 -0.18 -0.82 -1.32 -0.11 -1.72 115.64 118.84 3bvc s THR 130 Ca 0.01 0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.91 3bvc s THR 130 Cb -0.12 -3.63 -0.01 0.00 -1.51 0.00 0.00 72.50 67.24 3bvc s THR 130 CO -0.08 -0.09 -0.09 -0.31 -2.21 0.00 0.00 174.62 171.83 3bvc s TYR 131 N -1.84 2.89 -0.23 9.09 2.02 -0.59 -1.42 117.35 127.27 3bvc s TYR 131 Ca 0.47 -0.91 0.08 0.00 -0.37 0.00 0.00 57.07 56.34 3bvc s TYR 131 Cb -0.11 -1.99 -0.20 0.00 -0.40 0.00 0.00 41.96 39.25 3bvc s TYR 131 CO 0.22 -0.45 -0.09 0.28 -1.57 0.00 0.00 175.55 173.94 3bvc n VAL 132 N 4.32 1.46 -3.67 0.71 0.31 -0.76 -0.71 118.33 119.99 3bvc n VAL 132 Ca -0.18 -0.69 -0.20 0.00 -0.01 0.00 0.00 64.34 63.26 3bvc n VAL 132 Cb 0.51 -1.04 -0.18 0.00 -0.91 0.00 0.00 33.84 32.22 3bvc n VAL 132 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bvc s SER 133 N -6.12 1.08 -0.64 4.52 0.15 -0.62 -4.79 113.70 107.29 3bvc s SER 133 Ca -0.24 0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.56 3bvc s SER 133 Cb 0.08 -0.10 0.17 0.00 -1.71 0.00 0.00 66.02 64.46 3bvc s SER 133 CO 0.70 -0.25 0.45 -0.04 1.20 0.00 0.00 173.24 175.30 3bvc s MET 134 N 2.16 2.14 0.50 5.44 -1.94 -1.26 -2.76 119.30 123.58 3bvc s MET 134 Ca 0.05 -3.06 -0.10 0.00 -1.71 0.00 0.00 55.69 50.86 3bvc s MET 134 Cb -0.12 -3.04 -0.05 0.00 2.01 0.00 0.00 34.83 33.63 3bvc s MET 134 CO -0.03 -1.29 0.88 -1.25 -0.01 0.00 0.00 175.02 173.31 3bvc s PRO 135 N -1.09 3.69 0.18 2.03 0.05 -1.26 -4.92 135.00 133.68 3bvc s PRO 135 Ca 0.26 0.54 0.00 0.00 0.05 0.00 0.00 61.00 61.85 3bvc s PRO 135 Cb -0.05 -2.26 0.00 0.00 0.05 0.00 0.00 34.50 32.24 3bvc s PRO 135 CO -0.16 -0.27 0.00 0.41 0.05 0.00 0.00 177.00 177.03 3bvc n GLY 136 N -2.02 -2.09 2.76 0.56 0.00 -1.26 -4.59 105.19 98.55 3bvc n GLY 136 Ca 0.03 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 3bvc n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvc n GLY 137 N -3.04 5.82 3.35 -0.02 0.00 -1.26 -5.01 105.19 105.04 3bvc n GLY 137 Ca -0.01 -2.61 -0.19 0.00 0.00 0.00 0.00 46.02 43.21 3bvc n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bvc s THR 138 N -4.82 1.69 0.20 2.61 -4.23 -1.26 -5.14 115.64 104.69 3bvc s THR 138 Ca 0.47 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.48 3bvc s THR 138 Cb 0.33 -2.09 -0.08 0.00 1.34 0.00 0.00 72.50 72.00 3bvc s THR 138 CO -0.24 -0.56 1.00 -0.44 -0.54 0.00 0.00 174.62 173.84 3bvc s SER 139 N -3.32 7.47 0.00 3.99 0.01 -1.26 -4.83 113.70 115.76 3bvc s SER 139 Ca 0.23 1.98 0.21 0.00 1.31 0.00 0.00 55.95 59.69 3bvc s SER 139 Cb 0.00 -2.61 -0.17 0.00 0.21 0.00 0.00 66.02 63.46 3bvc s SER 139 CO 0.07 -0.02 0.95 0.00 0.41 0.00 0.00 173.24 174.65 3bvc n ALA 140 N 1.97 4.53 -3.69 1.44 0.00 -0.71 -4.42 120.51 119.64 3bvc n ALA 140 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 3bvc n ALA 140 Cb 0.47 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 3bvc n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bvc s LEU 141 N -2.91 -0.18 -0.27 0.00 1.43 -1.18 -4.51 118.68 111.05 3bvc s LEU 141 Ca 0.10 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3bvc s LEU 141 Cb 0.16 1.28 0.02 0.00 0.03 0.00 0.00 46.19 47.68 3bvc s LEU 141 CO 0.81 -0.20 0.01 -0.75 0.23 0.00 0.00 176.35 176.45 3bvc s LYS 142 N 1.69 2.98 -0.00 1.70 2.20 0.11 -1.23 119.74 127.19 3bvc s LYS 142 Ca -0.07 -0.91 -0.18 0.00 -0.36 0.00 0.00 55.97 54.45 3bvc s LYS 142 Cb -0.09 -3.17 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 3bvc s LYS 142 CO -0.12 -0.41 0.51 -0.51 -0.36 0.00 0.00 175.35 174.45 3bvc s LEU 143 N 1.41 4.44 -0.13 5.43 2.01 0.11 -0.52 118.68 131.43 3bvc s LEU 143 Ca 0.01 1.06 -0.02 0.00 0.01 0.00 0.00 54.13 55.19 3bvc s LEU 143 Cb -0.17 -2.77 -0.03 0.00 0.01 0.00 0.00 46.19 43.24 3bvc s LEU 143 CO -0.01 0.20 -0.05 -0.70 1.01 0.00 0.00 176.35 176.79 3bvc s GLU 144 N -0.55 3.43 -0.28 1.70 2.12 -0.22 -1.02 118.70 123.89 3bvc s GLU 144 Ca 0.27 -0.54 -0.41 0.00 0.36 0.00 0.00 54.97 54.66 3bvc s GLU 144 Cb -0.17 -2.81 -0.16 0.00 0.26 0.00 0.00 34.13 31.24 3bvc s GLU 144 CO 0.15 0.35 1.70 -3.47 -0.54 0.00 0.00 175.26 173.45 3bvc n ASP 145 N 3.20 2.19 0.34 -1.70 -0.08 0.63 -4.25 116.55 116.88 3bvc n ASP 145 Ca -0.18 1.09 0.23 0.00 -1.51 0.00 0.00 54.79 54.42 3bvc n ASP 145 Cb 0.53 -1.11 1.21 0.00 2.34 0.00 0.00 41.12 44.08 3bvc n ASP 145 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3bvc h PRO 146 N 6.77 0.00 -0.30 -0.67 0.13 -1.94 -2.01 132.00 133.99 3bvc h PRO 146 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3bvc h PRO 146 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3bvc h PRO 146 CO 0.95 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.26 3bvc n ARG 147 N -3.07 1.93 -0.24 0.86 1.74 -1.26 -4.62 116.66 112.01 3bvc n ARG 147 Ca -0.03 -1.42 -0.04 0.00 -0.77 0.00 0.00 57.85 55.60 3bvc n ARG 147 Cb 0.09 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 30.21 3bvc n ARG 147 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3bvc h HIS 148 N 2.61 0.78 0.00 -1.55 2.76 -1.74 -2.06 115.15 115.95 3bvc h HIS 148 Ca 0.00 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 3bvc h HIS 148 Cb 0.58 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 3bvc h HIS 148 CO 0.19 0.45 -0.28 0.00 -1.30 0.00 0.00 177.93 176.99 3bvc h ALA 149 N 1.29 1.06 0.00 5.26 0.00 -1.85 -2.64 119.26 122.38 3bvc h ALA 149 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bvc h ALA 149 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3bvc h ALA 149 CO -0.11 0.34 0.00 0.52 0.00 0.00 0.00 179.25 180.01 3bvc h MET 150 N 0.00 0.00 -1.09 0.00 2.07 -1.70 -3.32 114.93 110.89 3bvc h MET 150 Ca -0.00 0.00 -0.50 0.00 -2.07 0.00 0.00 59.70 57.13 3bvc h MET 150 Cb 0.75 0.00 -0.25 0.00 -1.87 0.00 0.00 31.60 30.23 3bvc h MET 150 CO 0.04 0.00 0.64 -1.33 1.07 0.00 0.00 176.91 177.33 3bvc n MET 151 N -2.77 2.22 0.22 1.72 2.81 -1.00 -4.56 117.12 115.77 3bvc n MET 151 Ca 0.03 -2.61 0.09 0.00 -1.81 0.00 0.00 57.70 53.40 3bvc n MET 151 Cb 0.37 -2.02 0.46 0.00 -0.71 0.00 0.00 33.22 31.32 3bvc n MET 151 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3bvc h MET 152 N 1.35 0.00 0.00 0.03 2.86 -1.76 -2.98 114.93 114.42 3bvc h MET 152 Ca 0.52 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.13 3bvc h MET 152 Cb 1.66 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.32 3bvc h MET 152 CO 1.13 0.24 -1.95 0.00 1.06 0.00 0.00 176.91 177.38 3bvc n ALA 153 N -2.24 2.64 -1.83 6.32 0.00 -1.26 -4.99 120.51 119.14 3bvc n ALA 153 Ca -0.00 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 3bvc n ALA 153 Cb 0.43 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 3bvc n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bvc s ALA 154 N -3.32 3.51 0.74 0.00 0.00 -1.13 -5.02 121.76 116.55 3bvc s ALA 154 Ca -0.08 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 3bvc s ALA 154 Cb 0.12 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.82 3bvc s ALA 154 CO 0.83 -0.57 1.15 -2.14 0.00 0.00 0.00 175.76 175.03 3bvc s PRO 155 N -1.21 2.19 0.52 0.00 0.02 -1.26 -5.00 135.00 130.26 3bvc s PRO 155 Ca 0.51 1.54 -0.20 0.00 0.02 0.00 0.00 61.00 62.87 3bvc s PRO 155 Cb -0.38 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 3bvc s PRO 155 CO 0.47 -1.75 1.11 0.00 -0.33 0.00 0.00 177.00 176.50 3bvc s ALA 156 N -2.31 2.78 0.55 -1.55 0.00 -1.26 -5.02 121.76 114.95 3bvc s ALA 156 Ca 0.69 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 3bvc s ALA 156 Cb -0.24 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 3bvc s ALA 156 CO 0.47 -0.63 1.11 1.03 0.00 0.00 0.00 175.76 177.74 3bvc s ARG 157 N -3.19 3.35 0.70 0.00 1.81 -1.26 -5.01 118.95 115.35 3bvc s ARG 157 Ca 0.70 1.54 -0.15 0.00 -1.72 0.00 0.00 55.73 56.10 3bvc s ARG 157 Cb -0.22 -2.01 0.03 0.00 -0.45 0.00 0.00 34.95 32.29 3bvc s ARG 157 CO 0.26 -0.84 1.19 1.03 -0.68 0.00 0.00 175.30 176.26 3bvc s ARG 158 N -3.40 2.33 0.46 3.54 0.52 -1.26 -4.92 118.95 116.22 3bvc s ARG 158 Ca 0.71 1.70 0.15 0.00 -0.52 0.00 0.00 55.73 57.76 3bvc s ARG 158 Cb -0.22 -1.86 1.09 0.00 0.52 0.00 0.00 34.95 34.48 3bvc s ARG 158 CO 0.28 -1.67 2.03 0.87 0.02 0.00 0.00 175.30 176.82 3bvc h LYS 159 N -0.13 0.30 -1.00 3.54 1.57 -2.04 -2.51 116.57 116.30 3bvc h LYS 159 Ca -0.48 -0.02 -0.48 0.00 -1.87 0.00 0.00 60.65 57.80 3bvc h LYS 159 Cb 1.29 -0.07 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 3bvc h LYS 159 CO 0.51 0.20 0.61 0.25 -0.57 0.00 0.00 179.45 180.45 3bvc n THR 160 N -4.47 3.08 -1.86 -0.16 -2.24 -1.26 -5.00 114.28 102.37 3bvc n THR 160 Ca 0.06 -1.80 -0.31 0.00 -2.27 0.00 0.00 64.05 59.73 3bvc n THR 160 Cb 0.29 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.04 3bvc n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bvc s ALA 161 N -3.10 3.04 0.66 6.98 0.00 -0.95 -5.04 121.76 123.35 3bvc s ALA 161 Ca 0.54 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 3bvc s ALA 161 Cb 0.45 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 3bvc s ALA 161 CO 0.10 -0.74 1.22 1.03 0.00 0.00 0.00 175.76 177.38 3bvc s ARG 162 N -5.10 2.57 0.37 0.00 0.52 -1.26 -4.91 118.95 111.14 3bvc s ARG 162 Ca 0.56 1.84 0.04 0.00 -0.52 0.00 0.00 55.73 57.65 3bvc s ARG 162 Cb -0.11 -1.88 0.70 0.00 0.52 0.00 0.00 34.95 34.18 3bvc s ARG 162 CO 0.53 -1.53 2.00 -0.44 0.02 0.00 0.00 175.30 175.88 3bvc h ASP 163 N 0.35 0.59 0.51 0.23 5.19 -1.98 -2.21 116.42 119.10 3bvc h ASP 163 Ca -0.49 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 3bvc h ASP 163 Cb 1.30 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.67 3bvc h ASP 163 CO 0.53 0.47 0.00 -1.84 -3.12 0.00 0.00 179.24 175.28 3bvc n GLU 164 N -4.42 0.13 0.00 3.56 0.28 -1.26 -3.31 120.64 115.63 3bvc n GLU 164 Ca 0.04 0.14 0.05 0.00 -0.16 0.00 0.00 57.16 57.23 3bvc n GLU 164 Cb 0.09 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 3bvc n GLU 164 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3bvc n LEU 165 N -1.40 0.87 -4.80 -1.84 4.77 -0.84 -5.03 117.00 108.74 3bvc n LEU 165 Ca 0.07 -0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 55.05 3bvc n LEU 165 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3bvc n LEU 165 CO 0.16 0.18 0.72 -0.13 -1.33 0.00 0.00 177.39 177.00 3bvc s ARG 166 N -1.55 3.71 0.14 3.23 1.81 -1.20 -4.93 118.95 120.16 3bvc s ARG 166 Ca 0.06 1.37 -0.04 0.00 -1.72 0.00 0.00 55.73 55.40 3bvc s ARG 166 Cb 0.07 -2.08 -0.06 0.00 -0.45 0.00 0.00 34.95 32.43 3bvc s ARG 166 CO 0.30 -0.50 1.34 1.96 -0.68 0.00 0.00 175.30 177.71 3bvc h GLN 167 N 1.41 0.42 -5.70 3.54 7.50 -1.94 -3.45 115.11 116.89 3bvc h GLN 167 Ca -0.49 -0.42 -0.66 0.00 0.50 0.00 0.00 58.65 57.58 3bvc h GLN 167 Cb 1.22 0.11 -0.32 0.00 0.05 0.00 0.00 27.48 28.55 3bvc h GLN 167 CO 0.59 1.08 -0.87 -0.06 -1.50 0.00 0.00 178.83 178.06 3bvc s PHE 168 N -3.36 2.29 -0.11 2.96 0.08 -1.26 -0.27 117.98 118.31 3bvc s PHE 168 Ca -0.06 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.29 3bvc s PHE 168 Cb 0.09 -1.51 -0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3bvc s PHE 168 CO 0.86 -0.25 -0.21 0.42 -0.10 0.00 0.00 175.22 175.94 3bvc s ILE 169 N 0.00 2.34 -0.18 0.64 -1.09 -0.19 -4.95 121.20 117.78 3bvc s ILE 169 Ca -0.07 -0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 57.40 3bvc s ILE 169 Cb -0.14 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 3bvc s ILE 169 CO 0.04 0.55 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.95 3bvc s TYR 170 N 0.31 2.98 -0.12 3.97 1.51 -1.26 0.10 117.35 124.84 3bvc s TYR 170 Ca -0.16 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 3bvc s TYR 170 Cb -0.17 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3bvc s TYR 170 CO 0.08 -0.22 -0.14 0.08 -1.11 0.00 0.00 175.55 174.24 3bvc s VAL 171 N 0.75 3.00 -0.55 0.71 1.01 -0.36 -5.03 120.40 119.92 3bvc s VAL 171 Ca -0.02 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3bvc s VAL 171 Cb -0.15 -2.24 0.14 0.00 0.00 0.00 0.00 36.38 34.13 3bvc s VAL 171 CO 0.02 0.53 0.32 -0.89 0.00 0.00 0.00 175.10 175.09 3bvc s THR 172 N 0.21 3.06 0.67 3.92 2.01 -1.26 -1.73 115.64 122.52 3bvc s THR 172 Ca -0.09 -3.09 -0.12 0.00 0.31 0.00 0.00 61.69 58.71 3bvc s THR 172 Cb -0.15 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 3bvc s THR 172 CO 0.05 -0.82 1.06 -2.84 -0.69 0.00 0.00 174.62 171.38 3bvc s PRO 173 N -0.10 3.00 0.66 4.92 0.02 -1.26 -5.02 135.00 137.22 3bvc s PRO 173 Ca 0.16 1.03 0.02 0.00 0.02 0.00 0.00 61.00 62.23 3bvc s PRO 173 Cb -0.23 -2.00 0.10 0.00 0.02 0.00 0.00 34.50 32.40 3bvc s PRO 173 CO -0.02 -1.05 0.91 0.00 -0.33 0.00 0.00 177.00 176.51 3bvc s ALA 174 N -2.88 3.95 0.20 -1.55 0.00 -1.26 -4.96 121.76 115.27 3bvc s ALA 174 Ca 0.60 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 3bvc s ALA 174 Cb -0.15 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 3bvc s ALA 174 CO 0.50 -1.21 1.31 0.14 0.00 0.00 0.00 175.76 176.51 3bvc s VAL 175 N -2.97 3.18 0.00 0.00 -7.23 -1.26 -3.00 120.40 109.11 3bvc s VAL 175 Ca 0.64 0.98 0.00 0.00 -1.81 0.00 0.00 61.98 61.78 3bvc s VAL 175 Cb -0.06 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.25 3bvc s VAL 175 CO 0.42 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 3bvc n GLY 176 N 2.30 0.74 3.84 2.32 0.00 0.12 -5.03 105.19 109.49 3bvc n GLY 176 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3bvc n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bvc s ASP 177 N -2.97 5.94 -0.04 1.61 1.01 -1.16 -0.69 116.67 120.37 3bvc s ASP 177 Ca 0.00 1.54 -0.02 0.00 0.71 0.00 0.00 52.55 54.79 3bvc s ASP 177 Cb 0.00 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.47 3bvc s ASP 177 CO 0.00 -1.06 0.04 0.54 0.21 0.00 0.00 175.17 174.90 3bvc s VAL 178 N -3.00 0.02 -0.08 -1.27 0.11 -0.57 -1.54 120.40 114.08 3bvc s VAL 178 Ca 0.57 0.32 -0.05 0.00 -2.93 0.00 0.00 61.98 59.90 3bvc s VAL 178 Cb -0.12 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3bvc s VAL 178 CO 0.50 0.19 0.13 -0.76 -3.33 0.00 0.00 175.10 171.83 3bvc s LEU 179 N 1.95 4.25 0.07 2.54 1.43 -0.70 -2.89 118.68 125.33 3bvc s LEU 179 Ca 0.03 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 3bvc s LEU 179 Cb -0.12 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3bvc s LEU 179 CO -0.03 0.36 -0.14 -0.76 0.23 0.00 0.00 176.35 176.00 3bvc s LEU 180 N -1.31 2.27 0.16 1.79 1.43 -0.25 -1.70 118.68 121.06 3bvc s LEU 180 Ca 0.19 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 3bvc s LEU 180 Cb -0.12 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.61 3bvc s LEU 180 CO 0.08 -0.07 0.38 -1.66 0.23 0.00 0.00 176.35 175.31 3bvc s TRP 181 N -1.24 0.06 0.23 0.29 -2.14 -0.38 -1.38 118.94 114.38 3bvc s TRP 181 Ca -0.02 -0.41 -0.30 0.00 2.66 0.00 0.00 56.10 58.03 3bvc s TRP 181 Cb -0.10 0.16 -0.09 0.00 -3.10 0.00 0.00 33.47 30.35 3bvc s TRP 181 CO 0.02 -0.76 1.21 -1.21 -2.66 0.00 0.00 176.95 173.55 3bvc s GLU 182 N -3.89 4.49 0.62 3.25 2.02 -1.26 -1.17 118.70 122.76 3bvc s GLU 182 Ca 0.10 1.94 0.35 0.00 0.02 0.00 0.00 54.97 57.37 3bvc s GLU 182 Cb 0.02 -3.19 2.03 0.00 0.10 0.00 0.00 34.13 33.08 3bvc s GLU 182 CO -0.05 -0.05 2.28 0.77 0.02 0.00 0.00 175.26 178.22 3bvc h SER 183 N 4.63 0.00 0.54 -0.19 0.02 -1.51 -1.50 113.55 115.54 3bvc h SER 183 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3bvc h SER 183 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3bvc h SER 183 CO 0.72 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.74 3bvc n TRP 184 N -3.54 0.00 -2.41 3.45 4.27 -1.26 -2.46 117.44 115.49 3bvc n TRP 184 Ca -0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 3bvc n TRP 184 Cb 0.11 -0.32 -0.02 0.00 -1.36 0.00 0.00 31.31 29.71 3bvc n TRP 184 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3bvc s LEU 185 N -2.65 4.24 -0.06 5.67 2.96 -0.57 -4.93 118.68 123.35 3bvc s LEU 185 Ca 0.22 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.63 3bvc s LEU 185 Cb 0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3bvc s LEU 185 CO 0.39 -0.68 1.31 -0.60 -1.32 0.00 0.00 176.35 175.45 3bvc s ARG 186 N 2.84 4.29 0.04 1.98 3.52 -1.26 -4.65 118.95 125.72 3bvc s ARG 186 Ca 0.57 1.80 0.01 0.00 -0.13 0.00 0.00 55.73 57.98 3bvc s ARG 186 Cb -0.24 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 3bvc s ARG 186 CO 0.19 -0.57 -0.06 -3.38 -0.81 0.00 0.00 175.30 170.68 3bvc s HIS 187 N 2.65 0.59 -0.02 5.12 -3.43 -0.90 -1.05 115.29 118.26 3bvc s HIS 187 Ca 0.59 -0.60 0.03 0.00 -0.80 0.00 0.00 55.06 54.28 3bvc s HIS 187 Cb -0.27 -0.37 -0.00 0.00 -1.43 0.00 0.00 32.58 30.51 3bvc s HIS 187 CO 0.22 -0.14 -0.12 -2.00 -2.00 0.00 0.00 174.74 170.71 3bvc s GLU 188 N -2.02 1.06 -0.46 -0.38 2.12 0.32 -1.70 118.70 117.63 3bvc s GLU 188 Ca -0.07 -0.41 -0.14 0.00 0.36 0.00 0.00 54.97 54.71 3bvc s GLU 188 Cb -0.07 -0.99 0.07 0.00 0.26 0.00 0.00 34.13 33.40 3bvc s GLU 188 CO -0.01 0.21 0.36 0.08 -0.54 0.00 0.00 175.26 175.36 3bvc s VAL 189 N -0.10 5.03 1.01 3.70 1.01 -1.16 0.09 120.40 129.97 3bvc s VAL 189 Ca 0.01 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 3bvc s VAL 189 Cb -0.07 -4.00 0.19 0.00 0.00 0.00 0.00 36.38 32.50 3bvc s VAL 189 CO 0.00 -0.55 1.10 -2.84 0.00 0.00 0.00 175.10 172.82 3bvc s PRO 190 N 1.60 0.35 0.04 2.72 0.02 -1.26 -2.02 135.00 136.45 3bvc s PRO 190 Ca 0.04 0.40 -0.31 0.00 0.02 0.00 0.00 61.00 61.16 3bvc s PRO 190 Cb -0.24 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 3bvc s PRO 190 CO 0.06 -2.76 1.46 1.41 -0.33 0.00 0.00 177.00 176.84 3bvc s MET 191 N -5.06 4.27 0.27 5.54 1.75 -1.26 -4.75 119.30 120.07 3bvc s MET 191 Ca 0.66 2.08 -0.30 0.00 -1.25 0.00 0.00 55.69 56.87 3bvc s MET 191 Cb -0.17 -3.50 -0.10 0.00 2.84 0.00 0.00 34.83 33.89 3bvc s MET 191 CO 0.57 -0.58 1.45 1.21 -0.65 0.00 0.00 175.02 177.02 3bvc s ASN 192 N 1.82 6.60 -0.01 1.11 2.47 -1.12 -4.92 114.94 120.89 3bvc s ASN 192 Ca 0.66 2.74 0.05 0.00 0.42 0.00 0.00 52.86 56.73 3bvc s ASN 192 Cb -0.35 -2.63 -0.08 0.00 -1.45 0.00 0.00 41.25 36.75 3bvc s ASN 192 CO 0.29 -0.73 0.11 0.23 -3.72 0.00 0.00 177.10 173.27 3bvc n MET 193 N 2.01 0.18 -3.73 0.43 2.81 -1.26 -2.32 117.12 115.23 3bvc n MET 193 Ca 0.06 -0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.66 3bvc n MET 193 Cb 0.40 -1.12 -0.02 0.00 -0.71 0.00 0.00 33.22 31.77 3bvc n MET 193 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3bvc s SER 194 N -2.57 6.33 -0.00 7.83 1.04 -1.26 -4.97 113.70 120.11 3bvc s SER 194 Ca -0.02 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.70 3bvc s SER 194 Cb 0.03 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.23 3bvc s SER 194 CO 0.20 -0.11 0.93 -1.84 0.98 0.00 0.00 173.24 173.40 3bvc n GLU 195 N -1.21 1.09 -4.11 4.02 0.28 -1.26 -4.31 120.64 115.14 3bvc n GLU 195 Ca -0.06 -0.12 -0.24 0.00 -0.16 0.00 0.00 57.16 56.58 3bvc n GLU 195 Cb 0.56 -1.12 -0.05 0.00 1.43 0.00 0.00 31.44 32.25 3bvc n GLU 195 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3bvc s ASP 196 N -0.81 5.44 0.20 -1.84 1.01 -1.26 -4.83 116.67 114.59 3bvc s ASP 196 Ca 0.02 -0.22 -0.30 0.00 0.71 0.00 0.00 52.55 52.76 3bvc s ASP 196 Cb 0.01 -1.38 -0.09 0.00 1.01 0.00 0.00 42.92 42.48 3bvc s ASP 196 CO 0.01 0.02 1.25 -1.81 0.21 0.00 0.00 175.17 174.85 3bvc s ASP 197 N -3.48 6.98 -0.58 0.27 1.01 -1.26 -4.58 116.67 115.04 3bvc s ASP 197 Ca 0.32 2.34 -0.18 0.00 0.71 0.00 0.00 52.55 55.74 3bvc s ASP 197 Cb -0.09 -2.61 0.11 0.00 1.01 0.00 0.00 42.92 41.34 3bvc s ASP 197 CO 0.24 -0.45 0.64 -0.60 0.21 0.00 0.00 175.17 175.21 3bvc s ARG 198 N -0.29 3.03 -0.12 8.23 3.52 0.16 -4.58 118.95 128.90 3bvc s ARG 198 Ca 0.54 -1.45 -0.09 0.00 -0.13 0.00 0.00 55.73 54.60 3bvc s ARG 198 Cb -0.35 -4.28 -0.04 0.00 -1.56 0.00 0.00 34.95 28.72 3bvc s ARG 198 CO 0.38 -1.47 0.19 0.42 -0.81 0.00 0.00 175.30 174.01 3bvc s ILE 199 N 2.33 5.40 0.02 4.11 1.01 -1.11 -0.94 121.20 132.02 3bvc s ILE 199 Ca 0.09 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 3bvc s ILE 199 Cb -0.26 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.75 3bvc s ILE 199 CO 0.05 0.57 0.32 -0.94 0.00 0.00 0.00 174.94 174.94 3bvc s SER 200 N -0.71 -0.16 -0.22 3.58 1.04 -0.21 -1.58 113.70 115.43 3bvc s SER 200 Ca 0.15 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.47 3bvc s SER 200 Cb -0.13 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 3bvc s SER 200 CO 0.05 -0.57 -0.05 -0.69 0.98 0.00 0.00 173.24 172.96 3bvc s VAL 201 N -2.14 3.25 0.25 5.02 1.01 -0.51 0.24 120.40 127.52 3bvc s VAL 201 Ca -0.08 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3bvc s VAL 201 Cb -0.02 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3bvc s VAL 201 CO -0.01 0.40 0.25 -0.44 0.00 0.00 0.00 175.10 175.31 3bvc s SER 202 N 1.45 5.75 0.01 3.32 0.01 -0.28 -0.93 113.70 123.04 3bvc s SER 202 Ca 0.05 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 3bvc s SER 202 Cb -0.14 -1.52 0.07 0.00 0.21 0.00 0.00 66.02 64.64 3bvc s SER 202 CO -0.04 -0.06 0.66 0.72 0.41 0.00 0.00 173.24 174.93 3bvc s PHE 203 N -2.10 -0.62 -0.07 2.43 -0.12 -0.14 -0.64 117.98 116.72 3bvc s PHE 203 Ca 0.34 0.88 0.04 0.00 -0.05 0.00 0.00 56.93 58.13 3bvc s PHE 203 Cb -0.08 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 3bvc s PHE 203 CO 0.26 -0.68 -0.18 -0.80 -0.05 0.00 0.00 175.22 173.77 3bvc s ASN 204 N -1.67 2.35 -0.12 1.98 0.01 0.10 -1.70 114.94 115.88 3bvc s ASN 204 Ca -0.07 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 51.67 3bvc s ASN 204 Cb -0.00 -0.93 -0.02 0.00 0.41 0.00 0.00 41.25 40.71 3bvc s ASN 204 CO 0.03 0.12 -0.10 -0.31 -1.51 0.00 0.00 177.10 175.32 3bvc s TYR 205 N 0.34 2.86 0.33 2.20 1.51 0.73 -1.00 117.35 124.32 3bvc s TYR 205 Ca -0.12 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 3bvc s TYR 205 Cb -0.15 -1.84 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 3bvc s TYR 205 CO 0.05 -0.08 0.01 -0.98 -1.11 0.00 0.00 175.55 173.44 3bvc s ARG 206 N 0.15 1.70 -0.20 -0.62 1.70 -0.05 -0.16 118.95 121.48 3bvc s ARG 206 Ca -0.05 -1.93 -0.11 0.00 -0.47 0.00 0.00 55.73 53.16 3bvc s ARG 206 Cb -0.15 -1.15 -0.05 0.00 -0.57 0.00 0.00 34.95 33.04 3bvc s ARG 206 CO 0.04 -0.09 0.19 -0.46 -1.08 0.00 0.00 175.30 173.90 3bvc s TRP 207 N -3.07 3.40 -2.00 5.89 -0.00 -1.26 -1.50 118.94 120.40 3bvc s TRP 207 Ca 0.34 0.39 0.22 0.00 -0.00 0.00 0.00 56.10 57.06 3bvc s TRP 207 Cb 0.08 -2.25 1.34 0.00 -0.00 0.00 0.00 33.47 32.64 3bvc s TRP 207 CO 0.15 0.22 1.71 0.00 -0.00 0.00 0.00 176.95 179.03