#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsm h VAL 2 N 0.00 1.27 -4.01 0.00 3.04 -1.98 -3.44 116.25 111.13 1bsm h VAL 2 Ca 0.00 -1.24 -0.69 0.00 -1.01 0.00 0.00 66.70 63.76 1bsm h VAL 2 Cb 0.00 0.92 -0.23 0.00 -2.01 0.00 0.00 31.29 29.98 1bsm h VAL 2 CO 0.00 0.44 -0.81 -0.31 -1.01 0.00 0.00 177.57 175.88 1bsm s TYR 3 N -4.89 2.53 0.07 3.17 2.02 -1.26 -5.13 117.35 113.86 1bsm s TYR 3 Ca -0.12 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1bsm s TYR 3 Cb 0.13 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1bsm s TYR 3 CO 0.86 0.24 -0.09 0.99 -1.57 0.00 0.00 175.55 175.98 1bsm s THR 4 N -0.91 0.71 -0.42 -0.71 2.01 -1.26 -4.95 115.64 110.12 1bsm s THR 4 Ca 0.14 -1.42 -0.28 0.00 0.31 0.00 0.00 61.69 60.45 1bsm s THR 4 Cb -0.10 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1bsm s THR 4 CO 0.05 -0.52 1.04 -0.22 -0.69 0.00 0.00 174.62 174.28 1bsm s LEU 5 N -2.11 3.83 0.44 4.42 0.20 -1.26 -5.02 118.68 119.18 1bsm s LEU 5 Ca -0.01 0.54 -0.23 0.00 0.69 0.00 0.00 54.13 55.12 1bsm s LEU 5 Cb -0.05 -3.42 -0.08 0.00 -0.43 0.00 0.00 46.19 42.20 1bsm s LEU 5 CO -0.01 -1.06 1.07 -2.16 -0.29 0.00 0.00 176.35 173.91 1bsm s PRO 6 N 3.97 3.95 0.51 0.98 0.04 -1.26 -5.02 135.00 138.17 1bsm s PRO 6 Ca 0.43 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1bsm s PRO 6 Cb -0.10 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 1bsm s PRO 6 CO 0.25 -0.33 0.96 -1.21 0.04 0.00 0.00 177.00 176.71 1bsm s GLU 7 N -2.76 3.88 0.43 4.56 2.02 -1.26 -5.02 118.70 120.55 1bsm s GLU 7 Ca 0.62 0.86 -0.24 0.00 0.02 0.00 0.00 54.97 56.22 1bsm s GLU 7 Cb -0.22 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.77 1bsm s GLU 7 CO 0.27 -0.28 1.21 -0.51 0.02 0.00 0.00 175.26 175.97 1bsm s LEU 8 N -4.20 4.12 -0.00 1.80 1.43 -1.26 -4.89 118.68 115.68 1bsm s LEU 8 Ca 0.57 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 1bsm s LEU 8 Cb -0.10 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 42.05 1bsm s LEU 8 CO 0.35 -0.84 0.92 -0.81 0.23 0.00 0.00 176.35 176.19 1bsm n PRO 9 N -0.15 1.03 -3.87 1.29 -0.04 -1.26 -4.85 135.00 127.15 1bsm n PRO 9 Ca 0.05 -0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1bsm n PRO 9 Cb 0.46 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 1bsm n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bsm s TYR 10 N -1.80 0.02 0.66 0.54 -0.85 -1.26 -5.09 117.35 109.57 1bsm s TYR 10 Ca 0.01 -0.53 -0.16 0.00 -0.52 0.00 0.00 57.07 55.86 1bsm s TYR 10 Cb 0.00 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1bsm s TYR 10 CO 0.00 -1.31 1.16 0.34 -1.52 0.00 0.00 175.55 174.23 1bsm s ASP 11 N -2.99 4.85 0.42 -0.18 -1.08 -1.26 -4.92 116.67 111.51 1bsm s ASP 11 Ca 0.15 2.22 0.11 0.00 -0.52 0.00 0.00 52.55 54.50 1bsm s ASP 11 Cb -0.05 -2.58 0.95 0.00 -1.46 0.00 0.00 42.92 39.79 1bsm s ASP 11 CO 0.09 -1.81 2.00 1.88 0.52 0.00 0.00 175.17 177.85 1bsm h TYR 12 N 0.18 0.50 -0.48 -5.34 0.05 -1.96 -1.88 116.97 108.04 1bsm h TYR 12 Ca -0.48 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1bsm h TYR 12 Cb 1.27 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1bsm h TYR 12 CO 0.50 0.26 0.00 -1.13 -1.05 0.00 0.00 178.16 176.74 1bsm n SER 13 N -4.47 3.30 0.29 3.88 3.41 -1.26 -4.04 113.62 114.73 1bsm n SER 13 Ca 0.08 -1.97 0.19 0.00 -0.26 0.00 0.00 58.87 56.91 1bsm n SER 13 Cb 0.27 -0.32 0.87 0.00 -0.26 0.00 0.00 64.21 64.78 1bsm n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsm h ALA 14 N 4.34 1.00 -0.38 7.33 0.00 -1.68 -2.86 119.26 127.01 1bsm h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsm h ALA 14 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bsm h ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1bsm n LEU 15 N -3.02 2.80 -4.80 0.00 4.77 -1.26 -4.43 117.00 111.06 1bsm n LEU 15 Ca -0.01 -1.26 -0.33 0.00 -0.03 0.00 0.00 56.01 54.38 1bsm n LEU 15 Cb 0.21 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1bsm n LEU 15 CO 0.24 0.63 0.72 -1.61 -1.33 0.00 0.00 177.39 176.04 1bsm s GLU 16 N -1.51 3.34 0.00 3.23 2.02 -1.08 -1.65 118.70 123.05 1bsm s GLU 16 Ca 0.36 1.24 0.10 0.00 0.02 0.00 0.00 54.97 56.69 1bsm s GLU 16 Cb 0.20 -2.03 0.39 0.00 0.10 0.00 0.00 34.13 32.78 1bsm s GLU 16 CO 0.28 -0.80 1.28 -0.35 0.02 0.00 0.00 175.26 175.70 1bsm n PRO 17 N -1.92 1.42 -0.09 0.39 -0.04 -1.26 -4.85 135.00 128.64 1bsm n PRO 17 Ca 0.09 -0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 62.77 1bsm n PRO 17 Cb 0.53 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 1bsm n PRO 17 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bsm h TYR 18 N 1.12 0.89 -3.33 0.54 0.05 -1.69 -3.42 116.97 111.12 1bsm h TYR 18 Ca 0.00 -0.27 -0.37 0.00 0.05 0.00 0.00 58.73 58.14 1bsm h TYR 18 Cb 0.25 -0.18 -0.38 0.00 1.01 0.00 0.00 36.73 37.43 1bsm h TYR 18 CO 0.11 1.04 -0.74 0.42 -1.05 0.00 0.00 178.16 177.93 1bsm s ILE 19 N -4.32 -0.04 0.70 -2.88 1.01 -0.66 -4.74 121.20 110.26 1bsm s ILE 19 Ca -0.12 0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 1bsm s ILE 19 Cb 0.09 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.40 1bsm s ILE 19 CO 0.84 0.18 1.21 -0.94 0.00 0.00 0.00 174.94 176.22 1bsm s SER 20 N 2.00 4.40 0.36 3.58 1.04 -1.26 -2.98 113.70 120.84 1bsm s SER 20 Ca 0.03 2.35 0.12 0.00 0.48 0.00 0.00 55.95 58.93 1bsm s SER 20 Cb -0.12 -2.59 0.67 0.00 0.10 0.00 0.00 66.02 64.08 1bsm s SER 20 CO -0.03 -2.12 1.79 1.23 0.98 0.00 0.00 173.24 175.09 1bsm h GLY 21 N -0.08 0.00 0.86 7.32 0.00 -1.88 -1.86 103.07 107.43 1bsm h GLY 21 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1bsm h GLY 21 CO 0.51 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 174.94 1bsm h GLU 22 N 0.00 -0.01 -0.07 4.80 4.81 -1.91 -0.89 114.58 121.31 1bsm h GLU 22 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1bsm h GLU 22 Cb 0.72 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1bsm h GLU 22 CO 0.05 -0.01 0.02 0.82 -0.73 0.00 0.00 179.01 179.16 1bsm h ILE 23 N -0.01 1.18 -0.94 2.32 2.04 -1.88 -2.17 117.51 118.05 1bsm h ILE 23 Ca 0.03 -0.56 0.12 0.00 1.00 0.00 0.00 64.86 65.45 1bsm h ILE 23 Cb 0.06 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1bsm h ILE 23 CO -0.07 0.16 0.57 0.24 0.00 0.00 0.00 178.15 179.05 1bsm h MET 24 N -0.10 0.87 0.02 2.37 2.86 -1.22 0.51 114.93 120.24 1bsm h MET 24 Ca 0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1bsm h MET 24 Cb 0.23 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1bsm h MET 24 CO -0.00 0.58 -0.01 1.49 1.06 0.00 0.00 176.91 180.03 1bsm h GLU 25 N 0.90 -0.02 -0.47 1.72 4.81 -1.07 -1.52 114.58 118.92 1bsm h GLU 25 Ca 0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 1bsm h GLU 25 Cb 0.49 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1bsm h GLU 25 CO -0.28 0.51 0.24 -0.07 -0.73 0.00 0.00 179.01 178.69 1bsm h LEU 26 N -0.57 0.61 -0.15 1.64 3.38 -1.01 0.30 115.31 119.51 1bsm h LEU 26 Ca -0.00 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1bsm h LEU 26 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1bsm h LEU 26 CO 0.00 0.55 0.09 -0.74 0.09 0.00 0.00 178.44 178.43 1bsm h HIS 27 N 0.62 0.16 0.16 1.13 2.76 -0.03 -0.91 115.15 119.04 1bsm h HIS 27 Ca 0.16 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1bsm h HIS 27 Cb 0.09 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1bsm h HIS 27 CO -0.01 0.10 -0.08 1.25 -1.30 0.00 0.00 177.93 177.89 1bsm h HIS 28 N 0.18 -0.20 -0.12 5.26 -0.00 -1.21 -1.36 115.15 117.70 1bsm h HIS 28 Ca 0.06 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.34 1bsm h HIS 28 Cb -0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1bsm h HIS 28 CO -0.08 0.08 -0.29 -0.44 -0.00 0.00 0.00 177.93 177.20 1bsm h ASP 29 N -1.00 0.23 0.00 3.26 3.32 -1.04 -3.11 116.42 118.08 1bsm h ASP 29 Ca -0.02 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bsm h ASP 29 Cb 0.37 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1bsm h ASP 29 CO 0.04 0.52 -0.35 0.29 -1.72 0.00 0.00 179.24 178.02 1bsm n LYS 30 N -4.13 0.20 0.49 3.56 4.76 -0.37 -4.46 118.16 118.21 1bsm n LYS 30 Ca -0.01 0.13 -0.20 0.00 -2.87 0.00 0.00 58.31 55.36 1bsm n LYS 30 Cb 0.39 -0.90 -0.09 0.00 -1.84 0.00 0.00 35.03 32.59 1bsm n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bsm h HIS 31 N -0.38 -1.17 -0.95 2.13 3.86 -1.24 -2.62 115.15 114.78 1bsm h HIS 31 Ca 0.00 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1bsm h HIS 31 Cb 0.35 0.39 -0.06 0.00 1.06 0.00 0.00 27.41 29.14 1bsm h HIS 31 CO -0.15 -0.73 0.61 1.25 0.86 0.00 0.00 177.93 179.77 1bsm h HIS 32 N -1.32 1.13 -0.96 2.45 -0.00 -1.30 -1.83 115.15 113.33 1bsm h HIS 32 Ca -0.13 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.33 1bsm h HIS 32 Cb 0.97 -0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 27.94 1bsm h HIS 32 CO -0.00 0.61 0.62 -0.22 -0.00 0.00 0.00 177.93 178.93 1bsm h LYS 33 N 1.13 1.10 -0.79 5.26 3.64 -1.55 -2.13 116.57 123.23 1bsm h LYS 33 Ca 0.40 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1bsm h LYS 33 Cb 0.11 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 1bsm h LYS 33 CO -0.16 0.73 0.43 0.00 -2.27 0.00 0.00 179.45 178.19 1bsm h ALA 34 N 1.43 1.28 -0.40 5.00 0.00 -0.94 -2.28 119.26 123.35 1bsm h ALA 34 Ca 0.41 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1bsm h ALA 34 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1bsm h ALA 34 CO -0.16 0.59 -0.14 1.88 0.00 0.00 0.00 179.25 181.42 1bsm h TYR 35 N 1.10 0.80 -0.08 0.00 0.05 -1.25 -0.40 116.97 117.18 1bsm h TYR 35 Ca 0.28 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1bsm h TYR 35 Cb 0.02 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 1bsm h TYR 35 CO 0.01 0.82 0.04 0.28 -1.05 0.00 0.00 178.16 178.26 1bsm h VAL 36 N 0.65 1.13 -0.49 -2.88 2.07 -1.10 0.04 116.25 115.67 1bsm h VAL 36 Ca 0.11 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1bsm h VAL 36 Cb 0.61 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1bsm h VAL 36 CO 0.04 0.11 0.18 0.44 0.02 0.00 0.00 177.57 178.36 1bsm h ASP 37 N -0.01 0.69 -0.66 0.57 3.32 -1.31 -1.68 116.42 117.34 1bsm h ASP 37 Ca 0.03 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1bsm h ASP 37 Cb 0.14 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1bsm h ASP 37 CO -0.00 0.69 0.31 1.23 -1.72 0.00 0.00 179.24 179.75 1bsm h GLY 38 N 0.65 1.05 1.13 2.75 0.00 -0.91 0.07 103.07 107.82 1bsm h GLY 38 Ca 0.16 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 1bsm h GLY 38 CO -0.01 0.49 -0.45 0.00 0.00 0.00 0.00 176.54 176.57 1bsm h ALA 39 N 1.37 0.52 -0.45 3.60 0.00 -0.79 -1.24 119.26 122.25 1bsm h ALA 39 Ca 0.24 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1bsm h ALA 39 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1bsm h ALA 39 CO -0.03 0.66 0.10 -0.91 0.00 0.00 0.00 179.25 179.08 1bsm h ASN 40 N 0.71 0.70 -0.67 0.00 2.35 -1.00 -2.62 115.58 115.05 1bsm h ASN 40 Ca 0.04 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.50 1bsm h ASN 40 Cb 1.05 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 1bsm h ASN 40 CO 0.11 0.76 0.22 0.74 -1.65 0.00 0.00 177.43 177.60 1bsm h THR 41 N 0.61 1.25 -0.46 2.81 2.02 -0.93 -1.80 112.91 116.41 1bsm h THR 41 Ca 0.14 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1bsm h THR 41 Cb 0.34 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1bsm h THR 41 CO 0.00 0.33 0.26 0.00 0.37 0.00 0.00 175.52 176.49 1bsm h ALA 42 N 1.09 0.58 -0.61 6.16 0.00 -1.09 -0.35 119.26 125.04 1bsm h ALA 42 Ca 0.22 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1bsm h ALA 42 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bsm h ALA 42 CO -0.01 -0.06 0.05 -0.07 0.00 0.00 0.00 179.25 179.16 1bsm h LEU 43 N 0.53 1.02 -0.90 0.00 3.38 -1.31 -1.42 115.31 116.60 1bsm h LEU 43 Ca 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1bsm h LEU 43 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1bsm h LEU 43 CO -0.09 1.05 0.50 0.44 0.09 0.00 0.00 178.44 180.43 1bsm h ASP 44 N 0.96 1.13 -0.19 -0.43 3.32 -0.87 -1.40 116.42 118.93 1bsm h ASP 44 Ca 0.18 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1bsm h ASP 44 Cb 0.50 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1bsm h ASP 44 CO 0.02 0.90 -0.29 0.50 -1.72 0.00 0.00 179.24 178.65 1bsm h LYS 45 N 1.26 0.68 -0.31 3.56 1.63 -0.81 -1.71 116.57 120.87 1bsm h LYS 45 Ca 0.32 -0.29 -0.13 0.00 -0.85 0.00 0.00 60.65 59.70 1bsm h LYS 45 Cb 0.02 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1bsm h LYS 45 CO -0.05 0.89 -0.33 -0.07 -3.45 0.00 0.00 179.45 176.44 1bsm h LEU 46 N 0.58 0.71 -0.64 5.20 3.38 -0.82 -0.97 115.31 122.76 1bsm h LEU 46 Ca 0.07 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 1bsm h LEU 46 Cb 0.79 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1bsm h LEU 46 CO 0.06 0.98 -0.46 0.00 0.09 0.00 0.00 178.44 179.12 1bsm h ALA 47 N 1.06 0.81 -0.56 1.53 0.00 -1.14 -1.84 119.26 119.12 1bsm h ALA 47 Ca 0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1bsm h ALA 47 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1bsm h ALA 47 CO 0.07 0.66 -0.03 1.49 0.00 0.00 0.00 179.25 181.44 1bsm h GLU 48 N 0.43 0.99 -0.35 0.00 4.81 -1.09 -2.09 114.58 117.27 1bsm h GLU 48 Ca 0.03 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1bsm h GLU 48 Cb 0.96 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1bsm h GLU 48 CO 0.09 0.99 0.13 0.00 -0.73 0.00 0.00 179.01 179.48 1bsm h ALA 49 N 1.06 0.46 -0.53 2.92 0.00 -0.92 -2.18 119.26 120.07 1bsm h ALA 49 Ca 0.16 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bsm h ALA 49 Cb 0.56 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1bsm h ALA 49 CO 0.03 0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.68 1bsm h ARG 50 N 0.42 0.63 -0.53 0.00 3.08 -1.15 0.27 114.38 117.11 1bsm h ARG 50 Ca 0.12 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1bsm h ARG 50 Cb 0.20 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1bsm h ARG 50 CO -0.01 0.42 0.25 -0.44 -1.07 0.00 0.00 179.97 179.12 1bsm h ASP 51 N 0.65 0.70 0.81 7.04 3.32 -1.28 -2.51 116.42 125.14 1bsm h ASP 51 Ca 0.21 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1bsm h ASP 51 Cb -0.01 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1bsm h ASP 51 CO -0.08 0.64 -0.07 0.29 -1.72 0.00 0.00 179.24 178.30 1bsm n LYS 52 N -4.58 0.14 -3.68 3.56 4.76 -0.83 -4.93 118.16 112.61 1bsm n LYS 52 Ca 0.02 -0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 1bsm n LYS 52 Cb 0.12 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.88 1bsm n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bsm n ALA 53 N -1.42 -1.42 -3.69 7.82 0.00 0.87 -4.98 120.51 117.69 1bsm n ALA 53 Ca 0.09 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.51 1bsm n ALA 53 Cb 0.32 -4.70 -0.16 0.00 0.00 0.00 0.00 19.45 14.91 1bsm n ALA 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bsm s ASP 54 N -3.49 3.32 -0.44 0.00 -1.08 -0.60 -5.00 116.67 109.38 1bsm s ASP 54 Ca 0.51 -1.14 0.04 0.00 -0.52 0.00 0.00 52.55 51.45 1bsm s ASP 54 Cb -0.24 -0.60 0.50 0.00 -1.46 0.00 0.00 42.92 41.12 1bsm s ASP 54 CO 0.76 -0.37 1.66 0.49 0.52 0.00 0.00 175.17 178.23 1bsm n PHE 55 N 5.05 2.47 -0.10 -5.34 3.72 -1.26 -4.58 117.46 117.42 1bsm n PHE 55 Ca -0.06 -2.25 0.04 0.00 -0.05 0.00 0.00 57.45 55.13 1bsm n PHE 55 Cb 0.45 -0.84 0.37 0.00 -0.94 0.00 0.00 39.48 38.52 1bsm n PHE 55 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1bsm h GLY 56 N 1.59 0.78 -3.87 1.37 0.00 -1.97 -2.11 103.07 98.86 1bsm h GLY 56 Ca 0.45 -0.27 -0.38 0.00 0.00 0.00 0.00 47.33 47.12 1bsm h GLY 56 CO 0.98 0.25 0.49 0.00 0.00 0.00 0.00 176.54 178.25 1bsm n ALA 57 N -2.46 5.15 -0.32 3.60 0.00 -1.26 -4.64 120.51 120.57 1bsm n ALA 57 Ca 0.07 -2.62 0.04 0.00 0.00 0.00 0.00 53.44 50.92 1bsm n ALA 57 Cb 0.12 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.42 1bsm n ALA 57 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bsm h ILE 58 N 1.75 1.07 -0.65 0.00 6.09 -1.75 -1.01 117.51 123.01 1bsm h ILE 58 Ca 0.47 -0.37 -0.04 0.00 -1.37 0.00 0.00 64.86 63.55 1bsm h ILE 58 Cb 2.64 -0.10 -0.03 0.00 0.47 0.00 0.00 36.82 39.80 1bsm h ILE 58 CO 0.94 0.20 0.25 0.78 -3.07 0.00 0.00 178.15 177.25 1bsm h ASN 59 N 1.07 0.91 0.10 2.19 2.35 -1.85 -0.45 115.58 119.91 1bsm h ASN 59 Ca 0.41 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1bsm h ASN 59 Cb 0.20 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1bsm h ASN 59 CO -0.16 0.84 -0.05 0.50 -1.65 0.00 0.00 177.43 176.92 1bsm h LYS 60 N 0.92 -0.13 -0.59 0.81 3.64 -1.77 -2.75 116.57 116.70 1bsm h LYS 60 Ca 0.22 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1bsm h LYS 60 Cb 0.23 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1bsm h LYS 60 CO -0.02 0.17 0.34 -0.07 -2.27 0.00 0.00 179.45 177.61 1bsm h LEU 61 N -0.45 0.71 -0.70 5.20 3.38 -1.08 0.72 115.31 123.08 1bsm h LEU 61 Ca -0.01 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1bsm h LEU 61 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1bsm h LEU 61 CO 0.02 0.55 -0.60 -0.33 0.09 0.00 0.00 178.44 178.18 1bsm h GLU 62 N 0.81 0.17 0.06 1.13 4.39 -1.09 -0.77 114.58 119.28 1bsm h GLU 62 Ca 0.21 -0.12 -0.27 0.00 0.34 0.00 0.00 59.36 59.52 1bsm h GLU 62 Cb -0.02 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1bsm h GLU 62 CO -0.04 0.72 -1.12 -0.22 -1.16 0.00 0.00 179.01 177.19 1bsm h LYS 63 N 0.13 0.60 -0.83 2.33 3.64 -1.10 -1.88 116.57 119.46 1bsm h LYS 63 Ca -0.01 -0.72 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 1bsm h LYS 63 Cb 1.09 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1bsm h LYS 63 CO 0.09 1.30 0.48 -0.44 -2.27 0.00 0.00 179.45 178.62 1bsm h ASP 64 N 0.30 1.01 0.05 4.20 3.32 -0.78 0.81 116.42 125.33 1bsm h ASP 64 Ca -0.14 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1bsm h ASP 64 Cb 1.78 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1bsm h ASP 64 CO 0.21 0.79 -0.03 0.25 -1.72 0.00 0.00 179.24 178.75 1bsm h LEU 65 N 1.14 -0.06 -0.20 1.55 6.46 -1.15 -1.83 115.31 121.21 1bsm h LEU 65 Ca 0.29 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1bsm h LEU 65 Cb -0.02 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1bsm h LEU 65 CO -0.05 0.30 0.12 0.00 -0.62 0.00 0.00 178.44 178.19 1bsm h ALA 66 N 0.49 0.26 0.33 1.25 0.00 -1.18 0.13 119.26 120.53 1bsm h ALA 66 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1bsm h ALA 66 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bsm h ALA 66 CO 0.01 -0.23 -0.16 0.35 0.00 0.00 0.00 179.25 179.22 1bsm h PHE 67 N 0.24 -0.41 -0.24 0.00 3.57 -0.90 -0.72 116.94 118.49 1bsm h PHE 67 Ca 0.07 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1bsm h PHE 67 Cb 0.03 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1bsm h PHE 67 CO -0.05 -0.22 -0.24 -0.91 -2.23 0.00 0.00 178.31 174.66 1bsm h ASN 68 N -0.50 0.62 -0.61 0.41 2.35 -1.32 -1.08 115.58 115.45 1bsm h ASN 68 Ca -0.04 -0.48 -0.10 0.00 -0.55 0.00 0.00 56.30 55.13 1bsm h ASN 68 Cb 0.37 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1bsm h ASN 68 CO 0.07 0.97 0.00 0.25 -1.65 0.00 0.00 177.43 177.08 1bsm h LEU 69 N 0.28 1.06 -0.97 1.61 5.85 -0.79 -0.25 115.31 122.10 1bsm h LEU 69 Ca 0.04 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1bsm h LEU 69 Cb 0.80 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1bsm h LEU 69 CO 0.06 1.11 -0.04 0.00 -0.34 0.00 0.00 178.44 179.22 1bsm h ALA 70 N 0.99 1.14 -0.53 1.25 0.00 -1.13 0.79 119.26 121.78 1bsm h ALA 70 Ca 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1bsm h ALA 70 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bsm h ALA 70 CO 0.03 0.55 -0.02 0.78 0.00 0.00 0.00 179.25 180.59 1bsm h GLY 71 N 0.95 0.98 0.84 0.00 0.00 -0.76 -0.05 103.07 105.03 1bsm h GLY 71 Ca 0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 1bsm h GLY 71 CO 0.02 0.64 -0.07 0.84 0.00 0.00 0.00 176.54 177.97 1bsm h HIS 72 N 0.83 0.54 0.12 5.60 6.17 -0.49 -2.41 115.15 125.51 1bsm h HIS 72 Ca 0.15 -0.12 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 1bsm h HIS 72 Cb 0.52 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1bsm h HIS 72 CO 0.03 0.71 -0.06 0.28 0.71 0.00 0.00 177.93 179.60 1bsm h VAL 73 N 0.21 0.93 -0.50 5.26 2.07 -0.70 -1.56 116.25 121.96 1bsm h VAL 73 Ca 0.06 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1bsm h VAL 73 Cb 0.54 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1bsm h VAL 73 CO 0.03 0.05 0.30 0.78 0.02 0.00 0.00 177.57 178.74 1bsm h ASN 74 N -0.25 0.48 -0.02 0.57 2.35 -1.04 -2.02 115.58 115.66 1bsm h ASN 74 Ca -0.02 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 1bsm h ASN 74 Cb 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1bsm h ASN 74 CO 0.03 0.34 -0.55 0.45 -1.65 0.00 0.00 177.43 176.05 1bsm h HIS 75 N 0.60 0.75 -0.59 1.19 3.86 -1.43 -0.45 115.15 119.08 1bsm h HIS 75 Ca 0.20 -0.27 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1bsm h HIS 75 Cb 0.02 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1bsm h HIS 75 CO -0.07 1.01 0.38 0.77 0.86 0.00 0.00 177.93 180.88 1bsm h SER 76 N 0.46 0.63 -0.32 2.45 0.02 -1.05 -1.35 113.55 114.39 1bsm h SER 76 Ca 0.01 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1bsm h SER 76 Cb 1.10 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1bsm h SER 76 CO 0.11 0.45 -0.15 0.58 -1.14 0.00 0.00 176.83 176.67 1bsm h VAL 77 N 0.75 1.29 -0.37 2.27 2.07 -1.29 -3.25 116.25 117.73 1bsm h VAL 77 Ca 0.23 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1bsm h VAL 77 Cb -0.03 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1bsm h VAL 77 CO -0.08 0.40 -0.09 0.15 0.02 0.00 0.00 177.57 177.98 1bsm h PHE 78 N 0.44 -0.19 0.08 1.57 3.57 -0.43 -0.87 116.94 121.10 1bsm h PHE 78 Ca 0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1bsm h PHE 78 Cb 0.67 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1bsm h PHE 78 CO 0.06 -0.16 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.45 1bsm h TRP 79 N 0.00 -0.10 0.00 0.41 -0.00 -1.33 -2.64 115.95 112.29 1bsm h TRP 79 Ca 0.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.05 1bsm h TRP 79 Cb 0.27 0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.46 1bsm h TRP 79 CO -0.33 -0.06 -0.05 0.87 -0.00 0.00 0.00 178.44 178.87 1bsm h LYS 80 N -0.11 0.00 0.00 0.49 1.57 -1.55 -2.57 116.57 114.41 1bsm h LYS 80 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bsm h LYS 80 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1bsm h LYS 80 CO 0.01 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.03 1bsm n ASN 81 N -3.20 0.00 -4.47 0.86 3.02 -0.35 -4.73 115.26 106.40 1bsm n ASN 81 Ca -0.00 0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.61 1bsm n ASN 81 Cb 0.28 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1bsm n ASN 81 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bsm s MET 82 N -2.83 1.67 -0.02 3.52 -1.94 -0.97 0.09 119.30 118.82 1bsm s MET 82 Ca 0.13 -1.77 -0.29 0.00 -1.71 0.00 0.00 55.69 52.06 1bsm s MET 82 Cb 0.13 -1.71 0.09 0.00 2.01 0.00 0.00 34.83 35.35 1bsm s MET 82 CO 0.34 0.30 0.79 0.00 -0.01 0.00 0.00 175.02 176.44 1bsm s ALA 83 N -2.55 -1.79 0.20 3.03 0.00 -0.07 -4.66 121.76 115.92 1bsm s ALA 83 Ca 0.30 1.13 -0.32 0.00 0.00 0.00 0.00 51.96 53.06 1bsm s ALA 83 Cb -0.04 0.13 -0.15 0.00 0.00 0.00 0.00 23.12 23.06 1bsm s ALA 83 CO 0.15 -0.52 1.29 -2.30 0.00 0.00 0.00 175.76 174.37 1bsm n PRO 84 N 0.29 1.59 0.00 0.00 -0.02 -1.26 -4.61 135.00 130.99 1bsm n PRO 84 Ca -0.14 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1bsm n PRO 84 Cb 0.60 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1bsm n PRO 84 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1bsm n LYS 85 N 1.95 0.00 -0.20 -0.52 3.00 -1.26 -0.82 118.16 120.31 1bsm n LYS 85 Ca 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.48 1bsm n LYS 85 Cb 0.28 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.42 1bsm n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bsm n GLY 86 N -0.78 0.93 0.10 3.14 0.00 -1.26 -4.12 105.19 103.20 1bsm n GLY 86 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1bsm n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bsm h SER 87 N 1.35 0.00 -3.79 1.61 0.02 -1.31 -3.47 113.55 107.96 1bsm h SER 87 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1bsm h SER 87 Cb 0.61 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.00 1bsm h SER 87 CO 0.07 0.74 -0.68 0.00 -1.14 0.00 0.00 176.83 175.82 1bsm s ALA 88 N -2.83 1.77 0.45 3.77 0.00 -1.26 -5.06 121.76 118.60 1bsm s ALA 88 Ca 0.01 -1.70 -0.24 0.00 0.00 0.00 0.00 51.96 50.04 1bsm s ALA 88 Cb 0.09 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 1bsm s ALA 88 CO 0.79 -0.18 1.25 -2.30 0.00 0.00 0.00 175.76 175.32 1bsm n PRO 89 N -0.37 1.80 0.00 0.00 -0.02 -1.26 -4.91 135.00 130.24 1bsm n PRO 89 Ca -0.07 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1bsm n PRO 89 Cb 0.63 -2.38 0.67 0.00 -0.02 0.00 0.00 33.50 32.40 1bsm n PRO 89 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bsm n GLU 90 N -0.17 0.78 -3.79 -0.52 -0.58 -1.26 -4.34 120.64 110.76 1bsm n GLU 90 Ca 0.08 -0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.46 1bsm n GLU 90 Cb 0.41 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.68 1bsm n GLU 90 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1bsm s ARG 91 N -2.37 0.43 0.47 3.49 0.52 -1.26 -5.06 118.95 115.17 1bsm s ARG 91 Ca 0.32 0.09 -0.23 0.00 -0.52 0.00 0.00 55.73 55.39 1bsm s ARG 91 Cb 0.20 0.20 -0.07 0.00 0.52 0.00 0.00 34.95 35.80 1bsm s ARG 91 CO 0.45 -0.09 1.25 -2.14 0.02 0.00 0.00 175.30 174.79 1bsm s PRO 92 N -0.50 3.65 0.32 3.54 0.02 -1.26 -5.00 135.00 135.77 1bsm s PRO 92 Ca -0.06 2.00 0.01 0.00 0.02 0.00 0.00 61.00 62.98 1bsm s PRO 92 Cb -0.04 -2.47 -0.01 0.00 0.02 0.00 0.00 34.50 32.00 1bsm s PRO 92 CO 0.02 -0.71 0.36 -0.08 -0.33 0.00 0.00 177.00 176.26 1bsm s THR 93 N -1.40 0.00 0.00 0.99 -1.32 -1.26 -4.41 115.64 108.24 1bsm s THR 93 Ca 0.64 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1bsm s THR 93 Cb -0.34 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1bsm s THR 93 CO 0.42 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.30 1bsm n ASP 94 N -1.34 0.00 -0.26 8.08 8.00 -1.26 -2.01 116.55 127.76 1bsm n ASP 94 Ca 0.04 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.53 1bsm n ASP 94 Cb 0.62 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.92 1bsm n ASP 94 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1bsm h GLU 95 N 0.00 1.08 -0.06 -1.24 4.11 -1.99 -1.04 114.58 115.44 1bsm h GLU 95 Ca 0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1bsm h GLU 95 Cb 0.00 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1bsm h GLU 95 CO 0.00 0.73 -0.00 1.25 0.07 0.00 0.00 179.01 181.06 1bsm h LEU 96 N 1.11 0.10 -1.15 3.06 5.85 -1.91 -0.33 115.31 122.03 1bsm h LEU 96 Ca 0.30 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1bsm h LEU 96 Cb -0.10 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1bsm h LEU 96 CO -0.06 0.41 0.43 1.23 -0.34 0.00 0.00 178.44 180.11 1bsm h GLY 97 N -0.20 1.09 0.89 3.75 0.00 -1.21 -0.86 103.07 106.53 1bsm h GLY 97 Ca 0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1bsm h GLY 97 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 176.54 176.99 1bsm h ALA 98 N 1.45 0.42 -0.58 3.60 0.00 -1.07 -2.13 119.26 120.95 1bsm h ALA 98 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1bsm h ALA 98 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1bsm h ALA 98 CO -0.05 0.18 0.19 0.00 0.00 0.00 0.00 179.25 179.57 1bsm h ALA 99 N 0.85 1.25 -0.26 0.00 0.00 -0.58 -0.51 119.26 120.00 1bsm h ALA 99 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1bsm h ALA 99 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bsm h ALA 99 CO 0.02 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.63 1bsm h ILE 100 N 0.84 1.25 -0.53 0.00 2.04 -1.05 -1.60 117.51 118.47 1bsm h ILE 100 Ca 0.19 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1bsm h ILE 100 Cb 0.23 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1bsm h ILE 100 CO -0.01 0.28 0.20 0.44 0.00 0.00 0.00 178.15 179.06 1bsm h ASP 101 N 0.25 0.69 -0.36 1.72 3.32 -1.08 -0.89 116.42 120.06 1bsm h ASP 101 Ca 0.08 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1bsm h ASP 101 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1bsm h ASP 101 CO 0.01 0.63 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.01 1bsm h GLU 102 N 0.75 0.69 -0.02 3.56 4.81 -0.81 0.11 114.58 123.67 1bsm h GLU 102 Ca 0.18 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1bsm h GLU 102 Cb 0.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1bsm h GLU 102 CO -0.02 0.84 -0.12 1.19 -0.73 0.00 0.00 179.01 180.18 1bsm n PHE 103 N -4.40 0.00 -0.50 0.92 3.72 -0.63 -4.42 117.46 112.15 1bsm n PHE 103 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1bsm n PHE 103 Cb 0.34 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1bsm n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bsm n PHE 104 N 0.75 0.00 0.00 1.38 3.72 -0.35 -5.00 117.46 117.96 1bsm n PHE 104 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1bsm n PHE 104 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1bsm n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bsm n GLY 105 N 0.04 2.16 3.83 1.37 0.00 0.39 -4.47 105.19 108.50 1bsm n GLY 105 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1bsm n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bsm s SER 106 N 0.00 -0.09 0.12 1.61 1.04 -1.26 -4.68 113.70 110.45 1bsm s SER 106 Ca 0.00 -0.88 -0.13 0.00 0.48 0.00 0.00 55.95 55.41 1bsm s SER 106 Cb 0.00 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1bsm s SER 106 CO 0.00 -1.46 1.50 0.15 0.98 0.00 0.00 173.24 174.41 1bsm h PHE 107 N 2.00 0.91 -0.67 5.02 3.57 -1.90 -2.42 116.94 123.45 1bsm h PHE 107 Ca -0.27 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 1bsm h PHE 107 Cb 1.25 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1bsm h PHE 107 CO 1.01 0.97 0.21 -0.44 -2.23 0.00 0.00 178.31 177.84 1bsm h ASP 108 N 0.59 0.98 -0.35 0.41 3.32 -1.96 -1.30 116.42 118.11 1bsm h ASP 108 Ca 0.08 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 1bsm h ASP 108 Cb 0.74 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1bsm h ASP 108 CO 0.06 0.93 0.00 0.78 -1.72 0.00 0.00 179.24 179.29 1bsm h ASN 109 N 0.98 0.68 -0.41 6.45 2.35 -1.81 -0.44 115.58 123.39 1bsm h ASN 109 Ca 0.22 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1bsm h ASN 109 Cb 0.30 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1bsm h ASN 109 CO -0.01 0.75 0.03 -0.03 -1.65 0.00 0.00 177.43 176.52 1bsm h MET 110 N 0.67 0.69 -0.68 0.81 4.05 -1.08 -2.14 114.93 117.25 1bsm h MET 110 Ca 0.14 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1bsm h MET 110 Cb 0.41 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1bsm h MET 110 CO 0.02 0.76 0.24 0.87 0.23 0.00 0.00 176.91 179.03 1bsm h LYS 111 N 0.53 1.05 -0.37 0.39 1.57 -0.90 -0.97 116.57 117.87 1bsm h LYS 111 Ca 0.12 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1bsm h LYS 111 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1bsm h LYS 111 CO 0.01 0.89 0.23 0.00 -0.57 0.00 0.00 179.45 180.02 1bsm h ALA 112 N 1.10 0.46 -0.42 3.86 0.00 -0.91 0.14 119.26 123.50 1bsm h ALA 112 Ca 0.22 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1bsm h ALA 112 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bsm h ALA 112 CO -0.01 -0.06 -0.13 0.37 0.00 0.00 0.00 179.25 179.42 1bsm h GLN 113 N 0.49 0.83 -0.54 0.00 4.15 -1.24 -2.12 115.11 116.68 1bsm h GLN 113 Ca 0.13 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 1bsm h GLN 113 Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1bsm h GLN 113 CO -0.03 0.96 0.16 0.35 -1.93 0.00 0.00 178.83 178.34 1bsm h PHE 114 N 0.65 0.87 -0.36 3.99 3.04 -0.98 -2.07 116.94 122.08 1bsm h PHE 114 Ca 0.10 -0.09 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 1bsm h PHE 114 Cb 0.67 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1bsm h PHE 114 CO 0.05 0.75 0.04 1.79 -2.02 0.00 0.00 178.31 178.92 1bsm h THR 115 N 0.74 1.25 -0.87 4.41 1.35 -0.67 -0.99 112.91 118.13 1bsm h THR 115 Ca 0.17 -0.89 0.03 0.00 -0.55 0.00 0.00 66.41 65.17 1bsm h THR 115 Cb 0.29 1.12 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 1bsm h THR 115 CO -0.00 0.30 0.56 0.00 -0.25 0.00 0.00 175.52 176.13 1bsm h ALA 116 N 0.89 1.13 -0.32 6.62 0.00 -1.29 -0.75 119.26 125.54 1bsm h ALA 116 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1bsm h ALA 116 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bsm h ALA 116 CO 0.01 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.47 1bsm h ALA 117 N 1.35 1.03 -0.25 0.00 0.00 -1.17 -2.50 119.26 117.73 1bsm h ALA 117 Ca 0.34 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1bsm h ALA 117 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1bsm h ALA 117 CO -0.11 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 179.56 1bsm h ALA 118 N 1.23 0.35 0.00 0.00 0.00 -0.14 -3.31 119.26 117.39 1bsm h ALA 118 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bsm h ALA 118 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bsm h ALA 118 CO 0.05 0.25 -0.43 0.25 0.00 0.00 0.00 179.25 179.37 1bsm n THR 119 N -4.44 0.31 1.26 0.00 -2.24 -0.39 -4.08 114.28 104.70 1bsm n THR 119 Ca -0.04 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1bsm n THR 119 Cb 0.38 -0.19 0.38 0.00 -2.10 0.00 0.00 70.33 68.81 1bsm n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bsm n GLY 120 N 1.37 -0.52 3.70 3.38 0.00 -0.94 -4.96 105.19 107.21 1bsm n GLY 120 Ca 0.04 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1bsm n GLY 120 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bsm n ILE 121 N -0.53 0.48 -3.29 -0.61 5.41 -1.25 -4.92 119.36 114.65 1bsm n ILE 121 Ca 0.13 -0.12 -0.46 0.00 1.00 0.00 0.00 62.75 63.30 1bsm n ILE 121 Cb 0.35 -1.70 -0.01 0.00 -0.71 0.00 0.00 39.64 37.57 1bsm n ILE 121 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1bsm s GLN 122 N 0.29 3.78 0.00 0.38 -0.21 -1.26 -4.89 119.66 117.75 1bsm s GLN 122 Ca 0.72 -2.62 0.00 0.00 0.02 0.00 0.00 55.36 53.48 1bsm s GLN 122 Cb -0.60 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 28.89 1bsm s GLN 122 CO 0.42 -1.33 0.00 0.41 -2.12 0.00 0.00 175.29 172.67 1bsm n GLY 123 N 3.75 0.17 3.82 3.09 0.00 -1.26 -5.03 105.19 109.73 1bsm n GLY 123 Ca 0.18 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 1bsm n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bsm s SER 124 N -4.00 6.56 0.00 1.61 0.01 -1.26 -4.94 113.70 111.68 1bsm s SER 124 Ca 0.00 1.73 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1bsm s SER 124 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1bsm s SER 124 CO 0.00 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1bsm n GLY 125 N -0.86 -1.31 3.06 3.44 0.00 -1.26 -0.33 105.19 107.94 1bsm n GLY 125 Ca 0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1bsm n GLY 125 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bsm s TRP 126 N -2.90 0.46 -0.13 1.61 0.52 -0.75 -0.69 118.94 117.06 1bsm s TRP 126 Ca 0.00 -0.85 -0.02 0.00 0.02 0.00 0.00 56.10 55.26 1bsm s TRP 126 Cb 0.00 -0.33 -0.02 0.00 -1.15 0.00 0.00 33.47 31.97 1bsm s TRP 126 CO 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 176.95 176.60 1bsm s ALA 127 N -2.94 2.85 -0.05 0.98 0.00 -0.82 -0.59 121.76 121.18 1bsm s ALA 127 Ca -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1bsm s ALA 127 Cb 0.01 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.78 1bsm s ALA 127 CO -0.06 0.28 0.12 -1.54 0.00 0.00 0.00 175.76 174.57 1bsm s SER 128 N 0.17 -0.12 -0.29 0.00 1.04 -0.10 -0.99 113.70 113.42 1bsm s SER 128 Ca -0.04 0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.49 1bsm s SER 128 Cb -0.14 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1bsm s SER 128 CO 0.04 -0.06 0.34 -0.22 0.98 0.00 0.00 173.24 174.32 1bsm s LEU 129 N 0.30 4.16 0.27 2.42 2.96 0.75 -0.31 118.68 129.23 1bsm s LEU 129 Ca -0.02 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1bsm s LEU 129 Cb -0.03 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 1bsm s LEU 129 CO -0.01 -0.21 -0.06 0.68 -1.32 0.00 0.00 176.35 175.43 1bsm s VAL 130 N 2.01 1.59 -0.26 1.68 -7.23 -0.00 -0.54 120.40 117.65 1bsm s VAL 130 Ca 0.13 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 1bsm s VAL 130 Cb -0.16 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1bsm s VAL 130 CO 0.11 -0.33 0.14 0.86 -0.31 0.00 0.00 175.10 175.58 1bsm s TRP 131 N -3.05 3.18 -0.47 2.82 -0.11 0.25 -1.70 118.94 119.86 1bsm s TRP 131 Ca 0.29 -0.06 -0.20 0.00 1.22 0.00 0.00 56.10 57.35 1bsm s TRP 131 Cb 0.04 -2.32 0.04 0.00 -1.50 0.00 0.00 33.47 29.72 1bsm s TRP 131 CO 0.11 -0.20 0.65 0.34 -4.62 0.00 0.00 176.95 173.22 1bsm s ASP 132 N 1.63 6.28 0.38 5.86 2.15 0.71 -2.21 116.67 131.47 1bsm s ASP 132 Ca 0.07 -0.56 0.13 0.00 0.43 0.00 0.00 52.55 52.61 1bsm s ASP 132 Cb -0.15 -2.31 0.77 0.00 -0.30 0.00 0.00 42.92 40.92 1bsm s ASP 132 CO 0.08 -0.84 1.86 -0.65 -0.17 0.00 0.00 175.17 175.45 1bsm h PRO 133 N 8.94 0.02 0.12 4.34 0.11 -1.85 0.22 132.00 143.91 1bsm h PRO 133 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1bsm h PRO 133 Cb 1.09 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1bsm h PRO 133 CO 0.93 0.34 -0.06 1.25 -0.21 0.00 0.00 178.00 180.25 1bsm h LEU 134 N 0.02 -0.13 -0.14 2.35 5.85 -1.94 -3.30 115.31 118.02 1bsm h LEU 134 Ca 0.00 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1bsm h LEU 134 Cb 0.58 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1bsm h LEU 134 CO 0.04 0.48 -0.10 0.61 -0.34 0.00 0.00 178.44 179.14 1bsm n GLY 135 N 0.87 -1.08 3.64 3.75 0.00 -1.24 -4.95 105.19 106.18 1bsm n GLY 135 Ca -0.07 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1bsm n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bsm n LYS 136 N -1.11 -1.29 -3.92 1.61 5.02 0.73 -4.99 118.16 114.21 1bsm n LYS 136 Ca 0.13 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.86 1bsm n LYS 136 Cb 0.27 -4.24 -0.04 0.00 -0.02 0.00 0.00 35.03 31.01 1bsm n LYS 136 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1bsm s ARG 137 N -5.78 1.67 -0.22 1.97 1.70 -0.86 -4.98 118.95 112.44 1bsm s ARG 137 Ca 0.46 -1.11 -0.08 0.00 -0.47 0.00 0.00 55.73 54.52 1bsm s ARG 137 Cb -0.16 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1bsm s ARG 137 CO 0.85 -0.73 0.10 0.42 -1.08 0.00 0.00 175.30 174.86 1bsm s ILE 138 N -3.97 4.80 0.33 4.99 1.01 -1.26 -0.21 121.20 126.89 1bsm s ILE 138 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1bsm s ILE 138 Cb -0.03 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1bsm s ILE 138 CO 0.08 0.38 -0.03 0.20 0.00 0.00 0.00 174.94 175.57 1bsm s ASN 139 N 1.03 3.08 -0.04 3.58 0.02 -0.69 -4.89 114.94 117.03 1bsm s ASN 139 Ca 0.05 -1.26 0.02 0.00 -1.02 0.00 0.00 52.86 50.65 1bsm s ASN 139 Cb -0.14 -0.23 -0.03 0.00 0.02 0.00 0.00 41.25 40.87 1bsm s ASN 139 CO 0.03 -0.39 -0.08 0.42 0.02 0.00 0.00 177.10 177.10 1bsm s THR 140 N -2.93 3.58 0.11 1.60 -4.23 -1.26 -0.82 115.64 111.69 1bsm s THR 140 Ca 0.33 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 1bsm s THR 140 Cb 0.06 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1bsm s THR 140 CO 0.15 0.54 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.87 1bsm s LEU 141 N -0.97 2.37 -0.41 4.79 1.43 0.57 -4.98 118.68 121.49 1bsm s LEU 141 Ca 0.14 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1bsm s LEU 141 Cb -0.11 -0.53 0.11 0.00 0.03 0.00 0.00 46.19 45.70 1bsm s LEU 141 CO 0.03 -0.14 0.15 -1.58 0.23 0.00 0.00 176.35 175.05 1bsm s GLN 142 N -2.46 1.78 0.47 1.70 0.74 -1.26 -0.92 119.66 119.71 1bsm s GLN 142 Ca 0.06 -2.04 -0.22 0.00 0.05 0.00 0.00 55.36 53.22 1bsm s GLN 142 Cb -0.06 -3.37 -0.08 0.00 1.10 0.00 0.00 33.01 30.61 1bsm s GLN 142 CO 0.03 -1.02 1.09 -0.06 -0.55 0.00 0.00 175.29 174.78 1bsm s PHE 143 N 0.70 2.96 -0.13 1.67 0.08 0.24 -4.71 117.98 118.78 1bsm s PHE 143 Ca 0.12 1.58 -0.04 0.00 0.12 0.00 0.00 56.93 58.70 1bsm s PHE 143 Cb -0.21 -3.21 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 1bsm s PHE 143 CO -0.05 -1.11 0.01 0.71 -0.10 0.00 0.00 175.22 174.67 1bsm s TYR 144 N -1.74 3.14 0.00 0.36 2.02 0.03 -1.80 117.35 119.36 1bsm s TYR 144 Ca 0.65 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 1bsm s TYR 144 Cb -0.23 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.41 1bsm s TYR 144 CO 0.27 0.22 0.00 -0.25 -1.57 0.00 0.00 175.55 174.22 1bsm n ASP 145 N 2.97 0.00 0.00 2.29 8.00 0.56 -2.18 116.55 128.19 1bsm n ASP 145 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1bsm n ASP 145 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1bsm n ASP 145 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1bsm n HIS 146 N 2.47 0.00 -0.33 1.24 8.25 -1.26 -4.02 115.22 121.56 1bsm n HIS 146 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1bsm n HIS 146 Cb 0.00 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.24 1bsm n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bsm n GLN 147 N -1.41 2.79 -4.40 -0.41 0.00 -1.21 -4.76 117.38 107.99 1bsm n GLN 147 Ca 0.00 -2.08 -0.26 0.00 0.00 0.00 0.00 57.00 54.66 1bsm n GLN 147 Cb 0.25 -1.31 -0.11 0.00 0.00 0.00 0.00 30.24 29.07 1bsm n GLN 147 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1bsm s ASN 148 N -1.30 3.66 -0.61 2.61 0.01 -0.93 -4.81 114.94 113.58 1bsm s ASN 148 Ca 0.21 -0.83 -0.01 0.00 -0.71 0.00 0.00 52.86 51.52 1bsm s ASN 148 Cb 0.14 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1bsm s ASN 148 CO 0.10 0.10 0.52 -3.20 -1.51 0.00 0.00 177.10 173.10 1bsm n ASN 149 N 0.02 -2.45 -3.65 -1.22 4.05 -1.26 -0.79 115.26 109.96 1bsm n ASN 149 Ca -0.11 -0.30 -0.14 0.00 0.45 0.00 0.00 54.58 54.48 1bsm n ASN 149 Cb 0.57 -2.79 -0.08 0.00 1.23 0.00 0.00 39.78 38.70 1bsm n ASN 149 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1bsm s LEU 150 N -4.16 -0.24 0.46 1.20 2.34 -1.26 -4.44 118.68 112.57 1bsm s LEU 150 Ca 0.06 1.03 -0.21 0.00 0.06 0.00 0.00 54.13 55.07 1bsm s LEU 150 Cb -0.03 2.05 -0.10 0.00 -0.56 0.00 0.00 46.19 47.56 1bsm s LEU 150 CO 0.36 -0.29 1.00 -2.84 -1.06 0.00 0.00 176.35 173.52 1bsm s PRO 151 N -0.06 3.98 0.47 1.48 0.02 -1.26 -5.01 135.00 134.61 1bsm s PRO 151 Ca -0.03 1.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.01 1bsm s PRO 151 Cb -0.04 -2.13 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 1bsm s PRO 151 CO 0.03 -0.26 1.27 0.00 -0.33 0.00 0.00 177.00 177.70 1bsm s ALA 152 N -2.07 3.03 0.00 -1.55 0.00 -1.26 -2.80 121.76 117.11 1bsm s ALA 152 Ca 0.65 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1bsm s ALA 152 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1bsm s ALA 152 CO 0.17 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1bsm n GLY 153 N 0.60 1.05 3.70 0.00 0.00 -1.26 -5.02 105.19 104.27 1bsm n GLY 153 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1bsm n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bsm s SER 154 N -3.04 6.76 -0.36 1.61 0.01 -1.12 -4.57 113.70 112.98 1bsm s SER 154 Ca 0.00 2.34 -0.11 0.00 1.31 0.00 0.00 55.95 59.49 1bsm s SER 154 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1bsm s SER 154 CO 0.00 -0.74 0.19 -0.63 0.41 0.00 0.00 173.24 172.48 1bsm s ILE 155 N 1.75 4.59 0.17 1.44 -1.09 -0.94 -4.94 121.20 122.19 1bsm s ILE 155 Ca 0.67 -0.75 -0.32 0.00 -2.23 0.00 0.00 60.65 58.03 1bsm s ILE 155 Cb -0.37 -3.51 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1bsm s ILE 155 CO 0.30 -0.16 1.61 -2.16 -1.23 0.00 0.00 174.94 173.30 1bsm s PRO 156 N 1.57 4.19 -0.12 2.79 0.04 -1.26 -0.59 135.00 141.63 1bsm s PRO 156 Ca 0.03 2.42 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 1bsm s PRO 156 Cb -0.19 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1bsm s PRO 156 CO 0.07 -0.65 -0.12 1.28 0.04 0.00 0.00 177.00 177.61 1bsm n LEU 157 N 4.10 2.33 -3.69 -3.56 4.77 0.30 -4.91 117.00 116.34 1bsm n LEU 157 Ca 0.14 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1bsm n LEU 157 Cb 0.38 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1bsm n LEU 157 CO 0.62 0.56 -0.13 -0.22 -1.33 0.00 0.00 177.39 176.90 1bsm s LEU 158 N -6.00 0.03 0.04 2.23 2.96 -0.95 -4.51 118.68 112.48 1bsm s LEU 158 Ca -0.16 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 1bsm s LEU 158 Cb 0.05 0.72 -0.02 0.00 0.50 0.00 0.00 46.19 47.44 1bsm s LEU 158 CO 0.26 -0.21 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.82 1bsm s GLN 159 N 1.87 1.07 -0.14 1.98 -0.21 -1.26 -0.18 119.66 122.80 1bsm s GLN 159 Ca -0.04 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.53 1bsm s GLN 159 Cb -0.11 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.81 1bsm s GLN 159 CO -0.09 0.28 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.08 1bsm s LEU 160 N -1.15 1.54 -0.24 2.90 2.96 -0.16 -4.73 118.68 119.80 1bsm s LEU 160 Ca 0.03 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 1bsm s LEU 160 Cb -0.08 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 1bsm s LEU 160 CO 0.01 -0.09 1.35 -0.62 -1.32 0.00 0.00 176.35 175.68 1bsm s ASP 161 N 1.56 6.72 -0.08 3.68 -1.08 -1.26 -1.95 116.67 124.25 1bsm s ASP 161 Ca 0.05 1.45 0.16 0.00 -0.52 0.00 0.00 52.55 53.68 1bsm s ASP 161 Cb -0.13 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.32 1bsm s ASP 161 CO -0.10 -1.00 1.45 0.23 0.52 0.00 0.00 175.17 176.27 1bsm n MET 162 N 7.14 3.18 -2.24 4.34 2.81 0.13 -4.84 117.12 127.64 1bsm n MET 162 Ca 0.15 -2.57 -0.38 0.00 -1.81 0.00 0.00 57.70 53.09 1bsm n MET 162 Cb 0.46 -1.64 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 1bsm n MET 162 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1bsm s TRP 163 N -1.70 2.98 0.51 2.03 0.52 -1.19 -4.34 118.94 117.74 1bsm s TRP 163 Ca 0.39 1.52 0.21 0.00 0.02 0.00 0.00 56.10 58.24 1bsm s TRP 163 Cb 0.25 -3.45 1.29 0.00 -1.15 0.00 0.00 33.47 30.42 1bsm s TRP 163 CO 0.19 -1.51 2.03 0.93 0.02 0.00 0.00 176.95 178.60 1bsm h GLU 164 N 2.53 0.08 0.00 4.98 5.08 -1.93 -1.34 114.58 123.98 1bsm h GLU 164 Ca -0.49 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1bsm h GLU 164 Cb 1.24 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1bsm h GLU 164 CO 0.62 0.06 -0.00 1.12 -1.00 0.00 0.00 179.01 179.80 1bsm h HIS 165 N 0.09 0.00 0.00 4.33 2.07 -1.98 0.98 115.15 120.64 1bsm h HIS 165 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1bsm h HIS 165 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 1bsm h HIS 165 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1bsm n ALA 166 N -2.09 2.19 -0.07 6.11 0.00 -0.50 -4.50 120.51 121.65 1bsm n ALA 166 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1bsm n ALA 166 Cb 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1bsm n ALA 166 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bsm n PHE 167 N -2.00 0.00 -0.26 0.00 1.16 -0.87 -4.97 117.46 110.53 1bsm n PHE 167 Ca 0.05 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.66 1bsm n PHE 167 Cb 0.37 0.00 0.16 0.00 -1.61 0.00 0.00 39.48 38.40 1bsm n PHE 167 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1bsm h TYR 168 N 0.00 0.63 -0.04 2.97 3.20 -1.02 0.13 116.97 122.85 1bsm h TYR 168 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1bsm h TYR 168 Cb 0.00 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1bsm h TYR 168 CO 0.00 0.19 0.03 -0.07 -1.64 0.00 0.00 178.16 176.67 1bsm h LEU 169 N 0.58 0.00 0.00 2.82 3.38 -1.87 -0.05 115.31 120.17 1bsm h LEU 169 Ca 0.38 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.03 1bsm h LEU 169 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1bsm h LEU 169 CO -0.31 0.00 -2.15 1.67 0.09 0.00 0.00 178.44 177.74 1bsm n GLN 170 N -4.28 0.48 0.00 1.13 7.27 -0.84 -4.74 117.38 116.39 1bsm n GLN 170 Ca -0.02 0.15 0.07 0.00 0.07 0.00 0.00 57.00 57.27 1bsm n GLN 170 Cb 0.13 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.44 1bsm n GLN 170 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1bsm n TYR 171 N -3.45 0.00 0.00 3.69 4.01 0.39 -5.08 117.16 116.73 1bsm n TYR 171 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1bsm n TYR 171 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 1bsm n TYR 171 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bsm n LYS 172 N -0.07 0.00 0.10 -0.72 4.01 -0.03 -1.99 118.16 119.46 1bsm n LYS 172 Ca 0.06 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.00 1bsm n LYS 172 Cb 0.32 0.00 0.41 0.00 -0.51 0.00 0.00 35.03 35.25 1bsm n LYS 172 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1bsm n ASN 173 N 4.34 0.77 -4.58 4.39 6.94 -1.26 -4.33 115.26 121.53 1bsm n ASN 173 Ca 0.00 0.56 -0.37 0.00 -0.02 0.00 0.00 54.58 54.74 1bsm n ASN 173 Cb 0.00 -0.75 -0.02 0.00 -2.36 0.00 0.00 39.78 36.65 1bsm n ASN 173 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1bsm s VAL 174 N -3.10 3.89 0.34 3.53 1.01 -0.84 -4.78 120.40 120.46 1bsm s VAL 174 Ca 0.11 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.61 1bsm s VAL 174 Cb 0.13 -4.95 0.21 0.00 0.00 0.00 0.00 36.38 31.77 1bsm s VAL 174 CO 0.60 -1.63 1.95 0.11 0.00 0.00 0.00 175.10 176.13 1bsm h LYS 175 N 8.45 0.69 -0.93 2.72 1.57 -1.84 -2.94 116.57 124.31 1bsm h LYS 175 Ca 0.35 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1bsm h LYS 175 Cb 0.90 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 1bsm h LYS 175 CO 1.37 0.55 0.59 0.78 -0.57 0.00 0.00 179.45 182.17 1bsm h GLY 176 N 0.82 1.38 1.53 3.86 0.00 -1.96 -2.18 103.07 106.52 1bsm h GLY 176 Ca 0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1bsm h GLY 176 CO -0.02 0.33 -0.15 -0.55 0.00 0.00 0.00 176.54 176.16 1bsm h ASP 177 N 1.11 0.54 -0.04 0.19 3.32 -1.92 -1.72 116.42 117.90 1bsm h ASP 177 Ca 0.39 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1bsm h ASP 177 Cb 0.10 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1bsm h ASP 177 CO -0.15 0.72 0.01 0.22 -1.72 0.00 0.00 179.24 178.31 1bsm h TYR 178 N 0.51 0.07 -0.76 4.55 3.20 -1.45 -1.55 116.97 121.54 1bsm h TYR 178 Ca 0.09 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1bsm h TYR 178 Cb 0.55 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1bsm h TYR 178 CO 0.02 0.30 0.38 0.28 -1.64 0.00 0.00 178.16 177.50 1bsm h VAL 179 N -0.18 1.24 -0.23 1.81 2.07 -1.33 -0.32 116.25 119.30 1bsm h VAL 179 Ca 0.01 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1bsm h VAL 179 Cb 0.27 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1bsm h VAL 179 CO 0.00 0.28 0.15 0.50 0.02 0.00 0.00 177.57 178.51 1bsm h LYS 180 N 1.06 0.31 -0.42 1.57 3.64 -1.25 -2.81 116.57 118.67 1bsm h LYS 180 Ca 0.26 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1bsm h LYS 180 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1bsm h LYS 180 CO -0.04 0.23 -0.11 0.77 -2.27 0.00 0.00 179.45 178.03 1bsm h SER 181 N 0.30 0.73 -0.60 4.20 0.02 -1.01 -3.16 113.55 114.02 1bsm h SER 181 Ca 0.08 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1bsm h SER 181 Cb -0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1bsm h SER 181 CO -0.02 0.87 0.39 -0.25 -1.14 0.00 0.00 176.83 176.69 1bsm h TRP 182 N 0.67 0.77 -0.25 3.45 7.01 -0.81 -2.32 115.95 124.47 1bsm h TRP 182 Ca 0.12 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.19 1bsm h TRP 182 Cb 0.58 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1bsm h TRP 182 CO 0.03 0.49 0.18 -1.49 -2.79 0.00 0.00 178.44 174.86 1bsm h TRP 183 N 0.83 0.08 0.00 2.65 4.06 -1.47 -1.39 115.95 120.70 1bsm h TRP 183 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1bsm h TRP 183 Cb -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 1bsm h TRP 183 CO 0.00 0.04 0.00 -0.91 -3.56 0.00 0.00 178.44 174.01 1bsm h ASN 184 N 0.08 0.00 -0.20 -3.49 4.21 -1.57 -3.00 115.58 111.60 1bsm h ASN 184 Ca 0.11 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1bsm h ASN 184 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1bsm h ASN 184 CO -0.01 0.00 0.00 1.33 -1.29 0.00 0.00 177.43 177.46 1bsm n VAL 185 N -2.68 1.41 -2.46 2.81 0.24 -0.53 -4.46 118.33 112.67 1bsm n VAL 185 Ca 0.00 -1.36 -0.42 0.00 -2.04 0.00 0.00 64.34 60.52 1bsm n VAL 185 Cb 0.22 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.79 1bsm n VAL 185 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1bsm s VAL 186 N -1.66 4.18 -0.81 3.34 1.01 -1.14 -0.89 120.40 124.43 1bsm s VAL 186 Ca 0.23 1.55 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 1bsm s VAL 186 Cb 0.16 -3.99 0.14 0.00 0.00 0.00 0.00 36.38 32.69 1bsm s VAL 186 CO 0.09 0.08 0.96 0.21 0.00 0.00 0.00 175.10 176.43 1bsm s ASN 187 N 1.22 6.51 0.58 3.32 3.84 0.11 -4.77 114.94 125.75 1bsm s ASN 187 Ca 0.57 -1.92 0.38 0.00 0.21 0.00 0.00 52.86 52.10 1bsm s ASN 187 Cb -0.27 -2.35 1.92 0.00 -0.55 0.00 0.00 41.25 40.01 1bsm s ASN 187 CO 0.27 -1.02 2.15 -0.50 -2.79 0.00 0.00 177.10 175.21 1bsm h TRP 188 N 8.79 0.00 -0.19 0.43 4.06 -1.84 -1.61 115.95 125.60 1bsm h TRP 188 Ca 0.01 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1bsm h TRP 188 Cb 1.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 1bsm h TRP 188 CO 1.05 0.00 -0.56 -0.44 -3.56 0.00 0.00 178.44 174.93 1bsm h ASP 189 N 0.00 0.63 -0.32 -3.49 3.32 -1.90 -1.07 116.42 113.60 1bsm h ASP 189 Ca 0.00 -0.34 -0.18 0.00 0.02 0.00 0.00 57.03 56.53 1bsm h ASP 189 Cb 0.17 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1bsm h ASP 189 CO 0.00 1.06 -0.51 -0.78 -1.72 0.00 0.00 179.24 177.29 1bsm h ASP 190 N 0.43 1.00 -0.44 6.45 3.58 -1.59 -1.82 116.42 124.03 1bsm h ASP 190 Ca 0.01 -0.51 -0.05 0.00 0.42 0.00 0.00 57.03 56.89 1bsm h ASP 190 Cb 1.11 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1bsm h ASP 190 CO 0.11 1.32 0.10 0.58 -2.88 0.00 0.00 179.24 178.47 1bsm h VAL 191 N 0.71 1.22 -0.46 2.25 2.07 -1.40 -1.30 116.25 119.34 1bsm h VAL 191 Ca 0.03 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1bsm h VAL 191 Cb 1.11 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1bsm h VAL 191 CO 0.12 0.30 -0.10 0.00 0.02 0.00 0.00 177.57 177.91 1bsm h ALA 192 N 1.36 0.96 -0.17 1.67 0.00 -1.03 -1.15 119.26 120.90 1bsm h ALA 192 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1bsm h ALA 192 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1bsm h ALA 192 CO 0.00 0.61 0.06 1.25 0.00 0.00 0.00 179.25 181.18 1bsm h LEU 193 N 0.75 0.23 -1.37 0.00 5.85 -0.75 -1.16 115.31 118.87 1bsm h LEU 193 Ca 0.13 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1bsm h LEU 193 Cb 0.59 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1bsm h LEU 193 CO 0.04 0.35 -0.03 0.03 -0.34 0.00 0.00 178.44 178.49 1bsm h ARG 194 N 0.10 0.38 -0.27 1.25 3.08 -1.06 -1.78 114.38 116.09 1bsm h ARG 194 Ca 0.05 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1bsm h ARG 194 Cb 0.19 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1bsm h ARG 194 CO -0.00 0.44 -0.29 0.35 -1.07 0.00 0.00 179.97 179.39 1bsm h PHE 195 N 0.37 0.81 -0.41 3.04 3.57 -1.01 -0.99 116.94 122.32 1bsm h PHE 195 Ca 0.08 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1bsm h PHE 195 Cb 0.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1bsm h PHE 195 CO 0.01 0.99 0.24 0.77 -2.23 0.00 0.00 178.31 178.08 1bsm h SER 196 N 0.40 0.50 0.79 0.41 0.02 -0.80 0.26 113.55 115.13 1bsm h SER 196 Ca 0.04 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1bsm h SER 196 Cb 0.87 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1bsm h SER 196 CO 0.07 0.43 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.39 1bsm h GLU 197 N 0.54 0.00 0.02 3.45 5.08 -1.34 -3.02 114.58 119.31 1bsm h GLU 197 Ca 0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1bsm h GLU 197 Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1bsm h GLU 197 CO -0.03 0.47 -0.38 0.00 -1.00 0.00 0.00 179.01 178.08 1bsm h ALA 198 N 1.53 0.02 0.00 3.43 0.00 -0.87 -3.32 119.26 120.05 1bsm h ALA 198 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1bsm h ALA 198 Cb 1.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bsm h ALA 198 CO 0.06 0.17 -0.12 -0.09 0.00 0.00 0.00 179.25 179.27 1bsm h ARG 199 N -0.46 0.00 0.00 0.00 2.43 -1.01 -2.01 114.38 113.34 1bsm h ARG 199 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1bsm h ARG 199 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1bsm h ARG 199 CO 0.07 0.12 0.00 1.55 -1.51 0.00 0.00 179.97 180.21 1bsm n VAL 200 N -4.00 0.13 0.00 0.20 3.14 -1.14 -5.10 118.33 111.55 1bsm n VAL 200 Ca -0.02 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1bsm n VAL 200 Cb 0.21 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 1bsm n VAL 200 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37