#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stx h LEU 3 N 0.00 -0.40 -0.21 1.04 5.85 -1.97 0.17 115.31 119.80 1stx h LEU 3 Ca 0.00 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1stx h LEU 3 Cb 0.00 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1stx h LEU 3 CO 0.00 -0.19 -0.10 -0.09 -0.34 0.00 0.00 178.44 177.72 1stx h ARG 4 N -0.23 -0.07 -0.26 1.25 2.43 -1.99 -0.37 114.38 115.13 1stx h ARG 4 Ca 0.05 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 1stx h ARG 4 Cb 0.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1stx h ARG 4 CO -0.14 -0.05 -0.57 0.66 -1.51 0.00 0.00 179.97 178.36 1stx h SER 5 N -0.08 0.93 -0.66 -3.80 4.64 -1.87 -1.57 113.55 111.15 1stx h SER 5 Ca 0.11 -0.51 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1stx h SER 5 Cb 0.25 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1stx h SER 5 CO -0.26 1.30 0.29 0.44 -0.87 0.00 0.00 176.83 177.73 1stx h ASP 6 N 0.63 0.91 -0.31 4.97 3.32 -0.61 -0.99 116.42 124.35 1stx h ASP 6 Ca 0.01 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1stx h ASP 6 Cb 1.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1stx h ASP 6 CO 0.12 0.80 0.07 0.25 -1.72 0.00 0.00 179.24 178.77 1stx h LEU 7 N 0.99 0.48 -0.49 1.55 5.85 -0.82 0.39 115.31 123.25 1stx h LEU 7 Ca 0.23 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1stx h LEU 7 Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1stx h LEU 7 CO -0.02 0.59 0.28 0.40 -0.34 0.00 0.00 178.44 179.34 1stx h ILE 8 N 0.34 1.16 -0.18 4.05 2.04 -1.12 0.88 117.51 124.69 1stx h ILE 8 Ca 0.10 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1stx h ILE 8 Cb 0.30 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1stx h ILE 8 CO 0.00 0.17 0.10 0.78 0.00 0.00 0.00 178.15 179.20 1stx h ASN 9 N 0.65 0.22 -0.13 1.72 2.35 -0.86 -1.86 115.58 117.68 1stx h ASN 9 Ca 0.17 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1stx h ASN 9 Cb 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1stx h ASN 9 CO -0.03 0.24 -0.03 0.00 -1.65 0.00 0.00 177.43 175.97 1stx h ALA 10 N 0.99 1.50 -0.25 -0.83 0.00 0.06 -1.26 119.26 119.47 1stx h ALA 10 Ca 0.06 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1stx h ALA 10 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1stx h ALA 10 CO -0.01 0.36 -0.58 -0.07 0.00 0.00 0.00 179.25 178.95 1stx h LEU 11 N 0.37 0.90 -0.28 0.00 3.38 -0.59 -1.25 115.31 117.84 1stx h LEU 11 Ca 0.08 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1stx h LEU 11 Cb 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1stx h LEU 11 CO 0.01 1.28 0.10 0.22 0.09 0.00 0.00 178.44 180.15 1stx h TYR 12 N 0.61 0.44 -0.16 1.13 3.20 -1.01 -2.57 116.97 118.60 1stx h TYR 12 Ca 0.00 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1stx h TYR 12 Cb 1.18 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1stx h TYR 12 CO 0.07 0.45 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.56 1stx h ASP 13 N 0.30 0.30 -0.41 -2.11 5.19 -1.20 -1.97 116.42 116.53 1stx h ASP 13 Ca 0.09 -0.36 0.06 0.00 -0.62 0.00 0.00 57.03 56.21 1stx h ASP 13 Cb 0.20 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 1stx h ASP 13 CO -0.01 0.59 0.10 -0.08 -3.12 0.00 0.00 179.24 176.72 1stx h GLU 14 N 0.01 0.22 -0.57 3.56 4.57 -1.28 -0.86 114.58 120.23 1stx h GLU 14 Ca 0.04 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1stx h GLU 14 Cb 0.45 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1stx h GLU 14 CO 0.01 0.15 0.38 -0.97 -1.18 0.00 0.00 179.01 177.40 1stx h ASN 15 N 0.23 0.61 -0.19 1.04 -0.73 -1.45 -0.33 115.58 114.76 1stx h ASN 15 Ca 0.19 -0.01 -0.18 0.00 1.87 0.00 0.00 56.30 58.17 1stx h ASN 15 Cb 0.22 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.67 1stx h ASN 15 CO -0.24 0.43 -0.60 1.56 -0.37 0.00 0.00 177.43 178.20 1stx h GLN 16 N 0.71 0.75 0.03 6.67 1.08 -0.54 -3.36 115.11 120.45 1stx h GLN 16 Ca 0.22 -0.55 -0.24 0.00 -1.45 0.00 0.00 58.65 56.63 1stx h GLN 16 Cb 0.02 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1stx h GLN 16 CO -0.06 1.17 -1.20 0.87 -0.95 0.00 0.00 178.83 178.66 1stx h LYS 17 N 0.47 0.06 -6.17 1.46 1.57 -1.03 -3.46 116.57 109.47 1stx h LYS 17 Ca -0.02 -0.11 -0.68 0.00 -1.87 0.00 0.00 60.65 57.97 1stx h LYS 17 Cb 1.22 0.04 -0.31 0.00 0.08 0.00 0.00 32.23 33.27 1stx h LYS 17 CO 0.13 0.96 -0.88 0.71 -0.57 0.00 0.00 179.45 179.80 1stx s TYR 18 N -2.68 2.30 -0.29 -1.35 1.51 -0.15 -5.10 117.35 111.60 1stx s TYR 18 Ca -0.02 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.50 1stx s TYR 18 Cb 0.09 -1.50 0.08 0.00 -0.11 0.00 0.00 41.96 40.52 1stx s TYR 18 CO 0.83 -0.14 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.58 1stx s ASP 19 N -0.33 4.53 0.09 2.29 1.11 -1.26 -4.63 116.67 118.47 1stx s ASP 19 Ca 0.02 -1.68 -0.32 0.00 0.18 0.00 0.00 52.55 50.75 1stx s ASP 19 Cb -0.12 -1.55 -0.11 0.00 1.07 0.00 0.00 42.92 42.21 1stx s ASP 19 CO 0.02 -0.27 1.81 0.52 1.18 0.00 0.00 175.17 178.43 1stx n VAL 20 N 4.38 0.37 -0.18 -1.27 0.31 -1.26 -4.88 118.33 115.80 1stx n VAL 20 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1stx n VAL 20 Cb 0.42 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1stx n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1stx n GLY 22 N 0.28 -0.79 3.70 0.00 0.00 -1.26 -3.99 105.19 103.13 1stx n GLY 22 Ca 0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1stx n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1stx s ILE 23 N -2.00 4.45 0.09 -0.61 -4.36 -0.04 -4.93 121.20 113.80 1stx s ILE 23 Ca 0.00 -0.19 0.07 0.00 -0.26 0.00 0.00 60.65 60.27 1stx s ILE 23 Cb 0.00 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1stx s ILE 23 CO 0.00 0.60 -0.11 -0.51 0.24 0.00 0.00 174.94 175.16 1stx s ILE 24 N -0.84 3.31 0.35 8.37 2.07 -1.26 -0.88 121.20 132.32 1stx s ILE 24 Ca 0.13 -1.24 0.06 0.00 -1.41 0.00 0.00 60.65 58.18 1stx s ILE 24 Cb -0.11 -2.53 -0.01 0.00 0.13 0.00 0.00 42.46 39.94 1stx s ILE 24 CO 0.02 0.15 0.50 -0.94 -1.91 0.00 0.00 174.94 172.76 1stx s SER 25 N -2.09 5.93 0.47 4.50 1.04 0.91 -4.98 113.70 119.47 1stx s SER 25 Ca 0.20 -0.15 0.15 0.00 0.48 0.00 0.00 55.95 56.63 1stx s SER 25 Cb -0.11 -1.22 1.14 0.00 0.10 0.00 0.00 66.02 65.93 1stx s SER 25 CO 0.12 -0.49 2.06 0.00 0.98 0.00 0.00 173.24 175.91 1stx h ALA 26 N 0.82 2.03 -0.00 5.32 0.00 -2.00 -0.54 119.26 124.88 1stx h ALA 26 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1stx h ALA 26 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1stx h ALA 26 CO 0.53 -0.10 -0.01 0.39 0.00 0.00 0.00 179.25 180.06 1stx n GLU 27 N -4.48 1.04 -0.23 0.00 4.71 -1.26 -4.91 120.64 115.52 1stx n GLU 27 Ca 0.04 -0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1stx n GLU 27 Cb 0.25 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1stx n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1stx n GLY 28 N 1.06 0.73 3.80 0.62 0.00 -0.21 -5.07 105.19 106.12 1stx n GLY 28 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1stx n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1stx s LYS 29 N -0.69 4.40 -0.09 1.61 2.20 -1.26 -4.09 119.74 121.82 1stx s LYS 29 Ca 0.00 1.00 0.04 0.00 -0.36 0.00 0.00 55.97 56.65 1stx s LYS 29 Cb 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1stx s LYS 29 CO 0.00 0.50 -0.23 0.42 -0.36 0.00 0.00 175.35 175.68 1stx s ILE 30 N -1.31 1.97 -0.16 5.43 1.01 -0.56 -0.06 121.20 127.51 1stx s ILE 30 Ca 0.38 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1stx s ILE 30 Cb -0.20 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1stx s ILE 30 CO 0.23 0.54 -0.05 -0.31 0.00 0.00 0.00 174.94 175.35 1stx s TYR 31 N 0.32 2.98 1.18 3.97 1.51 -0.06 -0.68 117.35 126.56 1stx s TYR 31 Ca -0.17 -0.45 -0.15 0.00 -1.01 0.00 0.00 57.07 55.30 1stx s TYR 31 Cb -0.17 -1.96 0.28 0.00 -0.11 0.00 0.00 41.96 39.99 1stx s TYR 31 CO 0.08 -0.14 1.03 -2.14 -1.11 0.00 0.00 175.55 173.27 1stx s PRO 32 N 0.53 -1.01 0.08 -1.71 0.02 -1.26 -0.86 135.00 130.79 1stx s PRO 32 Ca -0.04 0.56 -0.05 0.00 0.02 0.00 0.00 61.00 61.49 1stx s PRO 32 Cb -0.15 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 32.76 1stx s PRO 32 CO 0.03 -3.71 0.32 -0.51 -0.33 0.00 0.00 177.00 172.80 1stx s LEU 33 N -7.13 4.32 0.53 -5.54 1.43 -1.26 -4.70 118.68 106.34 1stx s LEU 33 Ca 0.68 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1stx s LEU 33 Cb -0.21 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1stx s LEU 33 CO 0.61 0.15 0.77 -0.83 0.23 0.00 0.00 176.35 177.28 1stx s GLY 34 N -2.14 1.72 0.00 -3.19 0.00 -1.26 -4.58 107.32 97.86 1stx s GLY 34 Ca 0.35 -1.16 0.24 0.00 0.00 0.00 0.00 44.72 44.15 1stx s GLY 34 CO 0.22 -0.91 1.32 -1.14 0.00 0.00 0.00 173.10 172.59 1stx n SER 35 N -2.32 0.59 -4.73 1.64 3.41 -1.26 -4.72 113.62 106.24 1stx n SER 35 Ca 0.06 -0.38 -0.30 0.00 -0.26 0.00 0.00 58.87 57.99 1stx n SER 35 Cb 0.59 0.39 0.14 0.00 -0.26 0.00 0.00 64.21 65.06 1stx n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1stx s ASP 36 N -3.01 3.49 0.35 4.04 1.47 -1.26 -4.84 116.67 116.91 1stx s ASP 36 Ca 0.10 1.42 0.27 0.00 1.18 0.00 0.00 52.55 55.52 1stx s ASP 36 Cb 0.17 -2.10 0.95 0.00 -0.34 0.00 0.00 42.92 41.60 1stx s ASP 36 CO 0.73 -2.62 1.78 0.74 0.68 0.00 0.00 175.17 176.49 1stx h THR 37 N -1.53 0.00 -0.39 2.11 2.02 -1.98 -1.95 112.91 111.19 1stx h THR 37 Ca -0.50 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1stx h THR 37 Cb 1.29 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1stx h THR 37 CO 0.56 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.66 1stx h ALA 38 N 2.22 0.51 -0.12 6.16 0.00 -1.98 0.34 119.26 126.39 1stx h ALA 38 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1stx h ALA 38 Cb 0.58 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1stx h ALA 38 CO 0.00 0.03 -0.61 0.28 0.00 0.00 0.00 179.25 178.95 1stx h VAL 39 N 0.51 1.34 -0.00 0.00 2.07 -1.82 -3.22 116.25 115.12 1stx h VAL 39 Ca 0.14 -1.89 -0.21 0.00 0.82 0.00 0.00 66.70 65.56 1stx h VAL 39 Cb 0.06 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1stx h VAL 39 CO -0.02 0.58 -0.89 -0.07 0.02 0.00 0.00 177.57 177.19 1stx h LEU 40 N 0.26 0.36 -1.28 2.57 3.38 -1.15 -1.52 115.31 117.93 1stx h LEU 40 Ca -0.04 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1stx h LEU 40 Cb 1.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1stx h LEU 40 CO 0.13 1.08 -0.36 0.77 0.09 0.00 0.00 178.44 180.15 1stx h SER 41 N 0.16 0.01 -0.12 -0.43 4.64 -0.45 -0.42 113.55 116.93 1stx h SER 41 Ca -0.05 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1stx h SER 41 Cb 1.52 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1stx h SER 41 CO 0.14 0.36 0.01 0.74 -0.87 0.00 0.00 176.83 177.21 1stx h THR 42 N 0.01 1.24 -0.71 2.95 2.02 -1.54 -2.68 112.91 114.19 1stx h THR 42 Ca -0.00 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1stx h THR 42 Cb 0.63 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 1stx h THR 42 CO 0.05 0.22 0.47 0.40 0.37 0.00 0.00 175.52 177.03 1stx h ILE 43 N -0.04 1.19 -0.16 3.11 5.03 -0.66 -2.42 117.51 123.56 1stx h ILE 43 Ca 0.04 -0.35 -0.12 0.00 -0.12 0.00 0.00 64.86 64.30 1stx h ILE 43 Cb 0.33 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.25 1stx h ILE 43 CO 0.00 0.18 -0.44 -0.26 -0.68 0.00 0.00 178.15 176.96 1stx h PHE 44 N 0.97 0.46 -0.19 1.37 0.04 -1.12 -1.41 116.94 117.05 1stx h PHE 44 Ca 0.26 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1stx h PHE 44 Cb -0.10 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1stx h PHE 44 CO -0.02 0.76 -0.01 0.93 -0.60 0.00 0.00 178.31 179.37 1stx h GLU 45 N 0.31 0.34 -0.61 1.51 5.08 -1.32 -1.34 114.58 118.56 1stx h GLU 45 Ca 0.02 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1stx h GLU 45 Cb 0.90 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1stx h GLU 45 CO 0.08 0.56 0.15 -0.07 -1.00 0.00 0.00 179.01 178.72 1stx h LEU 46 N 0.09 0.89 -0.55 1.33 3.38 -1.32 -2.43 115.31 116.70 1stx h LEU 46 Ca 0.05 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1stx h LEU 46 Cb 0.40 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1stx h LEU 46 CO 0.01 0.86 0.33 0.15 0.09 0.00 0.00 178.44 179.88 1stx h PHE 47 N 0.91 0.61 0.00 1.13 3.57 -1.15 -2.88 116.94 119.13 1stx h PHE 47 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1stx h PHE 47 Cb 0.32 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1stx h PHE 47 CO 0.02 0.34 -0.20 0.77 -2.23 0.00 0.00 178.31 177.01 1stx h SER 48 N 0.64 0.00 0.30 0.41 0.02 -0.85 -3.37 113.55 110.70 1stx h SER 48 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1stx h SER 48 Cb 0.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1stx h SER 48 CO -0.10 0.20 -0.52 0.03 -1.14 0.00 0.00 176.83 175.30 1stx h ARG 49 N 0.00 -0.85 -0.11 3.45 3.08 -1.21 -0.76 114.38 117.98 1stx h ARG 49 Ca -0.00 0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1stx h ARG 49 Cb 0.63 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1stx h ARG 49 CO 0.03 -0.56 0.06 -1.35 -1.07 0.00 0.00 179.97 177.08 1stx h PRO 50 N -0.88 0.14 0.01 0.04 0.11 -1.75 -2.07 132.00 127.60 1stx h PRO 50 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1stx h PRO 50 Cb 0.82 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1stx h PRO 50 CO -0.18 0.10 -0.00 0.82 -0.21 0.00 0.00 178.00 178.52 1stx h ILE 51 N 0.15 1.23 0.54 4.15 2.04 -1.66 -0.81 117.51 123.14 1stx h ILE 51 Ca 0.04 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1stx h ILE 51 Cb -0.00 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1stx h ILE 51 CO -0.01 0.18 -0.36 0.40 0.00 0.00 0.00 178.15 178.36 1stx h ILE 52 N -0.31 0.26 -0.60 -0.67 2.04 -0.81 -1.95 117.51 115.47 1stx h ILE 52 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1stx h ILE 52 Cb 0.31 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 1stx h ILE 52 CO 0.00 0.00 0.07 -1.13 0.00 0.00 0.00 178.15 177.09 1stx h ASN 53 N -0.87 -0.12 -0.27 1.72 -1.24 -1.42 -0.74 115.58 112.65 1stx h ASN 53 Ca -0.06 0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1stx h ASN 53 Cb 0.72 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 1stx h ASN 53 CO 0.04 -0.05 0.14 0.50 -1.29 0.00 0.00 177.43 176.78 1stx h LYS 54 N 0.19 0.38 -0.57 6.67 3.64 -0.77 -0.05 116.57 126.06 1stx h LYS 54 Ca 0.32 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1stx h LYS 54 Cb 0.50 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1stx h LYS 54 CO -0.46 0.34 -0.01 0.82 -2.27 0.00 0.00 179.45 177.87 1stx h ILE 55 N 0.32 1.27 -0.68 2.00 1.08 -1.09 -1.42 117.51 118.98 1stx h ILE 55 Ca 0.09 -1.15 0.03 0.00 -0.39 0.00 0.00 64.86 63.45 1stx h ILE 55 Cb 0.08 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1stx h ILE 55 CO -0.01 0.41 0.42 0.00 -0.69 0.00 0.00 178.15 178.28 1stx h ALA 56 N 0.97 0.89 -0.45 1.87 0.00 -0.90 -1.91 119.26 119.73 1stx h ALA 56 Ca 0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1stx h ALA 56 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1stx h ALA 56 CO 0.03 0.17 -0.20 0.93 0.00 0.00 0.00 179.25 180.18 1stx h GLU 57 N 0.81 0.89 0.00 0.00 5.08 -0.88 0.89 114.58 121.38 1stx h GLU 57 Ca 0.28 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1stx h GLU 57 Cb 0.05 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1stx h GLU 57 CO -0.12 1.01 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.66 1stx h LYS 58 N 0.78 0.00 -0.72 2.33 3.64 -0.53 -2.30 116.57 119.76 1stx h LYS 58 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1stx h LYS 58 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1stx h LYS 58 CO 0.06 0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.98 1stx n HIS 59 N -4.27 1.02 -0.98 1.91 8.25 -0.79 -4.96 115.22 115.40 1stx n HIS 59 Ca -0.03 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1stx n HIS 59 Cb 0.11 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1stx n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1stx n GLY 60 N 1.58 0.48 3.85 -1.41 0.00 -0.81 -5.05 105.19 103.82 1stx n GLY 60 Ca 0.25 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1stx n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1stx s TYR 61 N -2.00 3.68 0.06 1.61 1.51 0.25 -4.54 117.35 117.93 1stx s TYR 61 Ca 0.00 0.95 -0.22 0.00 -1.01 0.00 0.00 57.07 56.79 1stx s TYR 61 Cb 0.00 -2.26 -0.06 0.00 -0.11 0.00 0.00 41.96 39.53 1stx s TYR 61 CO 0.00 0.60 0.65 0.42 -1.11 0.00 0.00 175.55 176.10 1stx s ILE 62 N -1.19 4.71 -0.23 2.71 1.01 0.54 -4.10 121.20 124.65 1stx s ILE 62 Ca 0.27 1.38 -0.07 0.00 0.00 0.00 0.00 60.65 62.24 1stx s ILE 62 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1stx s ILE 62 CO 0.15 0.48 0.05 -0.69 0.00 0.00 0.00 174.94 174.93 1stx s VAL 63 N -0.70 4.22 -0.05 2.92 1.01 -1.26 -2.20 120.40 124.35 1stx s VAL 63 Ca 0.32 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1stx s VAL 63 Cb -0.20 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1stx s VAL 63 CO 0.20 0.37 -0.09 -1.61 0.00 0.00 0.00 175.10 173.97 1stx s GLU 64 N 1.38 1.24 0.33 2.72 2.02 0.08 -4.96 118.70 121.51 1stx s GLU 64 Ca 0.05 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 54.79 1stx s GLU 64 Cb -0.15 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 1stx s GLU 64 CO 0.03 0.03 0.48 -1.21 0.02 0.00 0.00 175.26 174.60 1stx s GLU 65 N 0.58 3.21 0.50 1.61 2.02 -1.26 -0.16 118.70 125.19 1stx s GLU 65 Ca -0.10 -0.84 -0.23 0.00 0.02 0.00 0.00 54.97 53.82 1stx s GLU 65 Cb -0.13 -2.79 -0.06 0.00 0.10 0.00 0.00 34.13 31.24 1stx s GLU 65 CO 0.02 0.11 1.27 -2.14 0.02 0.00 0.00 175.26 174.53 1stx s PRO 66 N -4.19 3.49 0.07 0.39 0.02 -1.26 -4.90 135.00 128.62 1stx s PRO 66 Ca 0.43 2.02 0.18 0.00 0.02 0.00 0.00 61.00 63.65 1stx s PRO 66 Cb -0.09 -2.37 -0.12 0.00 0.02 0.00 0.00 34.50 31.94 1stx s PRO 66 CO 0.32 -0.84 0.82 1.63 -0.33 0.00 0.00 177.00 178.59 1stx n LYS 67 N -0.69 0.62 -4.25 5.54 4.76 -1.26 -4.87 118.16 118.01 1stx n LYS 67 Ca 0.08 0.17 -0.30 0.00 -2.87 0.00 0.00 58.31 55.40 1stx n LYS 67 Cb 0.46 -1.79 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 1stx n LYS 67 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1stx s GLN 68 N -3.03 2.03 0.69 1.97 -0.21 -1.26 -5.12 119.66 114.74 1stx s GLN 68 Ca -0.03 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.16 1stx s GLN 68 Cb 0.09 -2.25 0.01 0.00 1.00 0.00 0.00 33.01 31.86 1stx s GLN 68 CO 0.81 0.50 1.06 -0.65 -2.12 0.00 0.00 175.29 174.89 1stx s GLN 69 N -2.22 2.92 -1.60 2.91 -0.21 -1.26 -3.82 119.66 116.38 1stx s GLN 69 Ca 0.21 1.01 0.00 0.00 0.02 0.00 0.00 55.36 56.60 1stx s GLN 69 Cb -0.11 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1stx s GLN 69 CO 0.13 -1.11 0.00 0.09 -2.12 0.00 0.00 175.29 172.28 1stx n ASN 70 N -3.01 -5.30 -4.25 5.90 3.02 -1.26 -5.01 115.26 105.35 1stx n ASN 70 Ca 0.08 0.03 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 1stx n ASN 70 Cb 0.53 -4.37 -0.17 0.00 -0.61 0.00 0.00 39.78 35.17 1stx n ASN 70 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1stx s HIS 71 N -2.89 2.50 0.36 3.10 3.76 -1.25 -4.74 115.29 116.12 1stx s HIS 71 Ca 0.00 -0.84 -0.10 0.00 -0.15 0.00 0.00 55.06 53.97 1stx s HIS 71 Cb 0.00 -1.65 -0.07 0.00 1.11 0.00 0.00 32.58 31.98 1stx s HIS 71 CO 0.00 -0.29 0.71 -0.47 -0.85 0.00 0.00 174.74 173.84 1stx s TYR 72 N 0.03 3.45 0.47 1.40 6.14 0.49 -4.67 117.35 124.67 1stx s TYR 72 Ca -0.09 0.97 0.07 0.00 0.64 0.00 0.00 57.07 58.66 1stx s TYR 72 Cb -0.15 -2.37 0.00 0.00 0.42 0.00 0.00 41.96 39.86 1stx s TYR 72 CO 0.06 0.00 0.41 -1.25 0.64 0.00 0.00 175.55 175.41 1stx s PRO 73 N -3.60 2.42 0.28 4.97 0.04 -1.26 -0.22 135.00 137.63 1stx s PRO 73 Ca 0.50 -1.70 0.01 0.00 0.04 0.00 0.00 61.00 59.85 1stx s PRO 73 Cb -0.10 -2.30 0.57 0.00 0.04 0.00 0.00 34.50 32.71 1stx s PRO 73 CO 0.28 -0.36 1.82 -0.44 0.04 0.00 0.00 177.00 178.34 1stx h ASP 74 N 0.90 0.85 -3.78 6.66 3.32 -1.80 -3.38 116.42 119.20 1stx h ASP 74 Ca -0.39 0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.41 1stx h ASP 74 Cb 1.28 -0.11 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 1stx h ASP 74 CO 0.57 0.42 -0.75 -0.36 -1.72 0.00 0.00 179.24 177.41 1stx s PHE 75 N -5.95 0.35 -0.14 4.55 0.08 -0.62 -4.13 117.98 112.13 1stx s PHE 75 Ca -0.12 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1stx s PHE 75 Cb 0.22 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.40 1stx s PHE 75 CO 0.80 -0.04 -0.19 0.99 -0.10 0.00 0.00 175.22 176.69 1stx s THR 76 N 0.15 2.39 0.04 0.64 2.01 0.77 -1.24 115.64 120.40 1stx s THR 76 Ca -0.01 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.19 1stx s THR 76 Cb -0.04 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1stx s THR 76 CO -0.00 0.54 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.48 1stx s LEU 77 N 0.65 2.17 -0.14 4.42 1.02 0.10 -0.74 118.68 126.16 1stx s LEU 77 Ca -0.10 -0.54 -0.30 0.00 0.02 0.00 0.00 54.13 53.21 1stx s LEU 77 Cb -0.16 -1.04 0.11 0.00 0.02 0.00 0.00 46.19 45.12 1stx s LEU 77 CO 0.02 0.18 0.92 -0.72 0.02 0.00 0.00 176.35 176.77 1stx s TYR 78 N -0.80 -0.45 0.03 0.29 1.13 -0.93 0.01 117.35 116.63 1stx s TYR 78 Ca 0.08 0.78 -0.27 0.00 -1.41 0.00 0.00 57.07 56.25 1stx s TYR 78 Cb -0.09 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 1stx s TYR 78 CO 0.02 -0.41 0.84 0.15 -2.51 0.00 0.00 175.55 173.64 1stx s LYS 79 N -1.09 4.54 0.56 -3.49 1.02 -1.26 -0.33 119.74 119.69 1stx s LYS 79 Ca -0.04 1.18 0.27 0.00 0.02 0.00 0.00 55.97 57.41 1stx s LYS 79 Cb -0.00 -3.40 1.49 0.00 -0.52 0.00 0.00 37.83 35.39 1stx s LYS 79 CO 0.04 0.16 1.98 -1.00 -0.92 0.00 0.00 175.35 175.61 1stx h PRO 80 N 6.07 0.00 0.00 -1.68 0.13 -1.97 -0.50 132.00 134.05 1stx h PRO 80 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1stx h PRO 80 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1stx h PRO 80 CO 0.73 0.00 -0.26 0.66 -0.23 0.00 0.00 178.00 178.90 1stx h SER 81 N 0.00 0.00 -2.25 1.44 4.64 -1.94 -3.35 113.55 112.08 1stx h SER 81 Ca 0.21 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.94 1stx h SER 81 Cb 0.98 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.66 1stx h SER 81 CO -0.00 0.26 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.81 1stx n GLU 82 N -3.39 1.69 0.01 4.77 -0.58 -0.20 -4.97 120.64 117.97 1stx n GLU 82 Ca 0.00 -4.07 0.15 0.00 -0.42 0.00 0.00 57.16 52.81 1stx n GLU 82 Cb 0.46 -1.88 0.60 0.00 -0.57 0.00 0.00 31.44 30.05 1stx n GLU 82 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1stx h PRO 83 N 4.38 0.17 -0.49 3.49 0.11 -1.70 -2.20 132.00 135.74 1stx h PRO 83 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1stx h PRO 83 Cb 0.76 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1stx h PRO 83 CO 0.67 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 1stx n ASN 84 N -4.44 1.42 -2.75 -2.05 4.13 -1.26 -4.07 115.26 106.23 1stx n ASN 84 Ca 0.08 -2.09 -0.27 0.00 1.68 0.00 0.00 54.58 53.97 1stx n ASN 84 Cb 0.42 -0.30 -0.02 0.00 -1.54 0.00 0.00 39.78 38.33 1stx n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1stx n LYS 85 N 0.06 3.32 -2.99 3.52 4.01 -0.83 -4.61 118.16 120.64 1stx n LYS 85 Ca 0.06 -4.72 -0.34 0.00 -0.51 0.00 0.00 58.31 52.80 1stx n LYS 85 Cb 0.29 -2.24 -0.06 0.00 -0.51 0.00 0.00 35.03 32.50 1stx n LYS 85 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1stx s LYS 86 N -3.50 4.19 -0.15 1.97 1.02 0.13 -4.70 119.74 118.71 1stx s LYS 86 Ca 0.49 0.92 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 1stx s LYS 86 Cb 0.33 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1stx s LYS 86 CO -0.16 0.17 -0.11 0.42 -0.92 0.00 0.00 175.35 174.75 1stx s ILE 87 N -1.90 3.17 -0.17 2.17 1.01 0.10 -0.31 121.20 125.28 1stx s ILE 87 Ca 0.54 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 1stx s ILE 87 Cb -0.12 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1stx s ILE 87 CO 0.18 0.51 0.10 0.00 0.00 0.00 0.00 174.94 175.72 1stx s ALA 88 N 0.54 3.60 -0.13 9.38 0.00 -0.30 -0.72 121.76 134.11 1stx s ALA 88 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1stx s ALA 88 Cb -0.15 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1stx s ALA 88 CO 0.04 0.28 -0.12 0.42 0.00 0.00 0.00 175.76 176.37 1stx s ILE 89 N 0.03 1.36 -0.10 0.00 1.01 -0.38 0.12 121.20 123.25 1stx s ILE 89 Ca 0.08 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1stx s ILE 89 Cb -0.12 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1stx s ILE 89 CO 0.00 0.42 -0.18 -0.62 0.00 0.00 0.00 174.94 174.56 1stx s ASP 90 N 1.49 2.58 -0.05 3.58 3.68 -0.19 -1.59 116.67 126.17 1stx s ASP 90 Ca 0.03 -0.46 -0.19 0.00 2.13 0.00 0.00 52.55 54.06 1stx s ASP 90 Cb -0.13 -1.18 -0.05 0.00 -1.45 0.00 0.00 42.92 40.11 1stx s ASP 90 CO -0.08 0.08 0.53 -0.63 0.13 0.00 0.00 175.17 175.20 1stx s ILE 91 N 0.64 5.03 0.07 4.11 1.01 -1.26 -0.90 121.20 129.89 1stx s ILE 91 Ca -0.14 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.64 1stx s ILE 91 Cb -0.16 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1stx s ILE 91 CO 0.04 0.40 -0.10 -0.54 0.00 0.00 0.00 174.94 174.74 1stx s LYS 92 N 0.01 0.70 0.03 2.79 -0.14 -0.04 -4.94 119.74 118.15 1stx s LYS 92 Ca 0.28 -0.94 0.02 0.00 -1.36 0.00 0.00 55.97 53.98 1stx s LYS 92 Cb -0.17 -0.49 -0.02 0.00 -1.68 0.00 0.00 37.83 35.48 1stx s LYS 92 CO 0.14 0.09 -0.08 0.99 -0.76 0.00 0.00 175.35 175.73 1stx s THR 93 N -1.73 0.59 0.31 2.17 2.01 -1.26 -0.59 115.64 117.13 1stx s THR 93 Ca -0.03 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 1stx s THR 93 Cb -0.07 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1stx s THR 93 CO 0.01 -0.25 0.53 0.28 -0.69 0.00 0.00 174.62 174.50 1stx s THR 94 N -1.08 0.00 0.36 -0.82 -1.32 -0.65 -4.87 115.64 107.26 1stx s THR 94 Ca -0.06 -1.41 0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1stx s THR 94 Cb -0.08 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1stx s THR 94 CO 0.00 0.00 0.09 -0.72 -2.21 0.00 0.00 174.62 171.78 1stx s TYR 95 N -3.33 1.86 0.01 9.09 1.13 -1.26 -2.95 117.35 121.90 1stx s TYR 95 Ca 0.24 -1.10 0.01 0.00 -1.41 0.00 0.00 57.07 54.81 1stx s TYR 95 Cb -0.01 -1.23 -0.01 0.00 -1.10 0.00 0.00 41.96 39.61 1stx s TYR 95 CO 0.14 -0.13 -0.04 -0.08 -2.51 0.00 0.00 175.55 172.93 1stx s THR 96 N -3.27 0.30 -0.10 -3.49 -1.32 -0.05 -4.87 115.64 102.84 1stx s THR 96 Ca 0.30 -0.53 0.16 0.00 -1.21 0.00 0.00 61.69 60.41 1stx s THR 96 Cb 0.06 -0.33 -0.20 0.00 -1.51 0.00 0.00 72.50 70.53 1stx s THR 96 CO 0.14 -0.16 0.63 0.59 -2.21 0.00 0.00 174.62 173.62 1stx n ASN 97 N 2.33 0.68 -4.05 8.08 4.13 -1.26 -0.94 115.26 124.23 1stx n ASN 97 Ca -0.17 0.31 -0.17 0.00 1.68 0.00 0.00 54.58 56.23 1stx n ASN 97 Cb 0.57 0.32 -0.13 0.00 -1.54 0.00 0.00 39.78 39.00 1stx n ASN 97 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1stx s LYS 98 N -2.78 0.66 0.19 3.52 1.02 -1.26 -4.67 119.74 116.43 1stx s LYS 98 Ca -0.05 -0.53 -0.32 0.00 0.02 0.00 0.00 55.97 55.09 1stx s LYS 98 Cb 0.08 -0.59 -0.15 0.00 -0.52 0.00 0.00 37.83 36.65 1stx s LYS 98 CO 0.82 0.15 1.17 -1.91 -0.92 0.00 0.00 175.35 174.67 1stx n GLU 99 N 2.24 1.29 0.00 1.68 4.07 -1.26 -4.17 120.64 124.49 1stx n GLU 99 Ca -0.17 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1stx n GLU 99 Cb 0.56 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 1stx n GLU 99 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1stx n ASN 100 N 1.95 0.00 -0.93 4.31 4.13 -1.26 -5.05 115.26 118.40 1stx n ASN 100 Ca 0.14 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.42 1stx n ASN 100 Cb 0.26 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.49 1stx n ASN 100 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1stx n GLU 101 N 12.30 -2.40 -2.70 3.52 2.13 -1.26 -4.76 120.64 127.48 1stx n GLU 101 Ca 0.00 1.88 -0.41 0.00 0.66 0.00 0.00 57.16 59.29 1stx n GLU 101 Cb 0.00 -2.41 -0.05 0.00 0.27 0.00 0.00 31.44 29.25 1stx n GLU 101 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1stx s LYS 102 N -4.65 4.76 0.19 5.31 1.02 -1.26 -4.58 119.74 120.53 1stx s LYS 102 Ca 0.00 1.52 0.08 0.00 0.02 0.00 0.00 55.97 57.59 1stx s LYS 102 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1stx s LYS 102 CO 0.00 0.34 -0.04 0.96 -0.92 0.00 0.00 175.35 175.69 1stx s ILE 103 N -0.64 3.48 0.02 2.17 -4.36 0.14 -4.83 121.20 117.17 1stx s ILE 103 Ca 0.44 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 59.22 1stx s ILE 103 Cb -0.26 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 40.68 1stx s ILE 103 CO 0.32 -0.16 0.00 -0.75 0.24 0.00 0.00 174.94 174.60 1stx s LYS 104 N -3.03 0.34 0.09 0.37 2.20 -1.26 -1.85 119.74 116.61 1stx s LYS 104 Ca 0.27 -0.55 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1stx s LYS 104 Cb -0.09 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1stx s LYS 104 CO 0.18 -0.06 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.85 1stx s PHE 105 N -1.41 1.62 -0.14 4.03 0.40 -1.26 -4.83 117.98 116.39 1stx s PHE 105 Ca -0.15 -0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 55.56 1stx s PHE 105 Cb -0.09 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1stx s PHE 105 CO -0.00 0.16 0.50 0.95 0.70 0.00 0.00 175.22 177.53 1stx s THR 106 N -1.21 5.15 -0.28 0.64 -4.23 -1.26 -1.33 115.64 113.13 1stx s THR 106 Ca 0.04 0.98 0.11 0.00 -1.18 0.00 0.00 61.69 61.64 1stx s THR 106 Cb -0.10 -3.84 0.54 0.00 1.34 0.00 0.00 72.50 70.45 1stx s THR 106 CO 0.04 0.28 1.52 0.18 -0.54 0.00 0.00 174.62 176.09 1stx n LEU 107 N 4.02 4.43 0.00 4.79 4.77 -0.31 -4.96 117.00 129.75 1stx n LEU 107 Ca -0.06 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 1stx n LEU 107 Cb 0.51 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1stx n LEU 107 CO 0.43 1.05 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1stx n GLY 108 N -0.91 1.29 3.68 -0.72 0.00 -1.26 -4.73 105.19 102.54 1stx n GLY 108 Ca 0.33 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1stx n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1stx s GLY 109 N -0.55 1.66 0.00 -0.02 0.00 -1.26 -0.05 107.32 107.11 1stx s GLY 109 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.09 1stx s GLY 109 CO 0.00 0.78 0.92 1.58 0.00 0.00 0.00 173.10 176.39 1stx n TYR 110 N -4.08 0.09 -0.10 1.90 0.18 -0.77 -4.59 117.16 109.80 1stx n TYR 110 Ca 0.09 -0.34 0.00 0.00 1.88 0.00 0.00 57.90 59.54 1stx n TYR 110 Cb 0.53 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1stx n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1stx n THR 111 N -0.08 0.90 0.00 -3.48 -2.24 -1.26 -4.60 114.28 103.52 1stx n THR 111 Ca 0.03 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1stx n THR 111 Cb 0.23 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1stx n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1stx n SER 112 N -0.45 0.00 0.30 3.42 3.41 -1.26 -4.70 113.62 114.34 1stx n SER 112 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1stx n SER 112 Cb 0.27 0.00 0.96 0.00 -0.26 0.00 0.00 64.21 65.18 1stx n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1stx h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.60 -0.76 116.94 116.76 1stx h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1stx h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1stx h PHE 113 CO 0.00 0.03 0.00 0.44 -2.00 0.00 0.00 178.31 176.78 1stx n ILE 114 N -3.48 0.66 0.46 0.88 -5.35 -1.26 -3.41 119.36 107.86 1stx n ILE 114 Ca -0.02 -0.07 0.05 0.00 -0.27 0.00 0.00 62.75 62.44 1stx n ILE 114 Cb 0.13 -0.81 -0.06 0.00 -1.74 0.00 0.00 39.64 37.17 1stx n ILE 114 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1stx n ARG 115 N -2.20 3.38 -3.48 6.28 1.74 -0.62 -4.93 116.66 116.82 1stx n ARG 115 Ca 0.04 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1stx n ARG 115 Cb 0.35 -1.01 -0.09 0.00 -1.02 0.00 0.00 32.46 30.68 1stx n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1stx s ASN 116 N -2.06 0.22 0.42 0.55 3.84 -0.39 -5.01 114.94 112.52 1stx s ASN 116 Ca 0.03 0.43 0.29 0.00 0.21 0.00 0.00 52.86 53.83 1stx s ASN 116 Cb 0.08 1.06 1.45 0.00 -0.55 0.00 0.00 41.25 43.29 1stx s ASN 116 CO 0.43 -0.28 1.58 -1.13 -2.79 0.00 0.00 177.10 174.91 1stx h ASN 117 N 8.21 0.23 -0.10 -4.21 -1.24 -1.87 -2.00 115.58 114.61 1stx h ASN 117 Ca -0.18 0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1stx h ASN 117 Cb 1.14 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 1stx h ASN 117 CO 0.22 -0.31 -0.12 0.35 -1.29 0.00 0.00 177.43 176.28 1stx n THR 118 N -4.88 2.13 -3.39 -3.57 -2.24 -1.26 0.00 114.28 101.07 1stx n THR 118 Ca 0.40 -2.48 -0.40 0.00 -2.27 0.00 0.00 64.05 59.30 1stx n THR 118 Cb 1.49 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 69.37 1stx n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1stx s LYS 119 N -3.00 3.86 -1.47 -0.78 2.20 -0.75 -4.43 119.74 115.37 1stx s LYS 119 Ca 0.37 -0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.80 1stx s LYS 119 Cb 0.33 -3.71 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1stx s LYS 119 CO 0.01 -0.37 0.80 0.09 -0.36 0.00 0.00 175.35 175.53 1stx n ASN 120 N 5.37 -5.83 -3.89 1.43 4.13 -1.26 -2.20 115.26 113.00 1stx n ASN 120 Ca -0.08 -0.42 -0.11 0.00 1.68 0.00 0.00 54.58 55.64 1stx n ASN 120 Cb 0.50 -4.67 -0.13 0.00 -1.54 0.00 0.00 39.78 33.94 1stx n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1stx s ILE 121 N -3.21 0.03 0.17 2.41 2.07 -1.26 -0.38 121.20 121.04 1stx s ILE 121 Ca 0.43 -0.22 -0.12 0.00 -1.41 0.00 0.00 60.65 59.33 1stx s ILE 121 Cb -0.20 -0.08 0.07 0.00 0.13 0.00 0.00 42.46 42.39 1stx s ILE 121 CO 0.54 -0.12 1.76 0.58 -1.91 0.00 0.00 174.94 175.78 1stx h VAL 122 N 5.02 1.21 -3.30 4.00 2.07 -0.92 -3.44 116.25 120.88 1stx h VAL 122 Ca -0.26 -0.59 -0.46 0.00 0.82 0.00 0.00 66.70 66.21 1stx h VAL 122 Cb 1.21 0.52 -0.17 0.00 -1.52 0.00 0.00 31.29 31.33 1stx h VAL 122 CO 0.48 0.24 -0.76 -0.31 0.02 0.00 0.00 177.57 177.24 1stx s TYR 123 N -5.70 1.62 0.38 1.57 2.02 -1.26 -5.09 117.35 110.88 1stx s TYR 123 Ca -0.13 -0.54 -0.26 0.00 -0.37 0.00 0.00 57.07 55.77 1stx s TYR 123 Cb 0.13 -0.81 -0.12 0.00 -0.40 0.00 0.00 41.96 40.76 1stx s TYR 123 CO 0.78 0.26 1.07 -2.30 -1.57 0.00 0.00 175.55 173.79 1stx n PRO 124 N 0.19 1.52 -0.25 -1.71 -0.02 -1.26 -4.86 135.00 128.61 1stx n PRO 124 Ca -0.13 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1stx n PRO 124 Cb 0.58 -2.06 0.36 0.00 -0.02 0.00 0.00 33.50 32.35 1stx n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1stx h PHE 125 N 1.85 0.83 0.00 6.00 3.57 -0.75 -1.15 116.94 127.29 1stx h PHE 125 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1stx h PHE 125 Cb 1.33 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1stx h PHE 125 CO 0.46 0.36 0.00 -0.40 -2.23 0.00 0.00 178.31 176.50 1stx n ASP 126 N -4.53 0.00 -0.72 0.41 5.68 -1.26 -2.26 116.55 113.87 1stx n ASP 126 Ca 0.15 -0.63 0.12 0.00 -0.50 0.00 0.00 54.79 53.93 1stx n ASP 126 Cb 0.37 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.55 1stx n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1stx n GLN 127 N -0.95 1.88 -3.74 0.11 6.02 -0.43 -4.89 117.38 115.38 1stx n GLN 127 Ca 0.12 -1.45 -0.35 0.00 -0.01 0.00 0.00 57.00 55.31 1stx n GLN 127 Cb 0.06 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 29.76 1stx n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1stx s TYR 128 N -2.12 3.36 -2.67 1.08 1.51 -0.96 -0.69 117.35 116.86 1stx s TYR 128 Ca 0.28 0.27 0.22 0.00 -1.01 0.00 0.00 57.07 56.83 1stx s TYR 128 Cb 0.20 -2.18 0.16 0.00 -0.11 0.00 0.00 41.96 40.03 1stx s TYR 128 CO 0.37 0.21 1.18 0.44 -1.11 0.00 0.00 175.55 176.64 1stx n ILE 129 N 3.74 0.00 -3.62 2.71 -6.64 0.57 -4.86 119.36 111.27 1stx n ILE 129 Ca -0.16 -0.49 -0.15 0.00 -1.77 0.00 0.00 62.75 60.18 1stx n ILE 129 Cb 0.52 1.44 -0.07 0.00 -1.44 0.00 0.00 39.64 40.09 1stx n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1stx s ALA 130 N -1.85 -1.59 -0.26 -1.28 0.00 -1.18 -5.04 121.76 110.56 1stx s ALA 130 Ca 0.25 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 1stx s ALA 130 Cb 0.18 -0.58 0.08 0.00 0.00 0.00 0.00 23.12 22.80 1stx s ALA 130 CO 0.29 -0.32 0.05 -1.01 0.00 0.00 0.00 175.76 174.77 1stx s HIS 131 N -0.36 1.60 0.08 0.00 3.76 -1.26 -1.16 115.29 117.96 1stx s HIS 131 Ca -0.05 -1.46 0.01 0.00 -0.15 0.00 0.00 55.06 53.40 1stx s HIS 131 Cb -0.03 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1stx s HIS 131 CO 0.04 -0.78 0.20 -1.58 -0.85 0.00 0.00 174.74 171.78 1stx s TRP 132 N 1.66 3.47 -0.21 1.40 0.51 0.33 -0.34 118.94 125.76 1stx s TRP 132 Ca 0.04 0.21 -0.03 0.00 -2.12 0.00 0.00 56.10 54.20 1stx s TRP 132 Cb -0.17 -1.73 -0.00 0.00 -0.81 0.00 0.00 33.47 30.76 1stx s TRP 132 CO -0.17 0.57 -0.08 0.42 -0.51 0.00 0.00 176.95 177.19 1stx s ILE 133 N -1.53 3.08 -0.44 2.03 -1.09 0.21 -1.02 121.20 122.45 1stx s ILE 133 Ca 0.34 -0.59 -0.17 0.00 -2.23 0.00 0.00 60.65 58.00 1stx s ILE 133 Cb -0.13 -2.38 0.03 0.00 -1.58 0.00 0.00 42.46 38.40 1stx s ILE 133 CO 0.27 0.45 0.43 -0.63 -1.23 0.00 0.00 174.94 174.24 1stx s ILE 134 N 1.41 5.11 -0.14 2.92 1.01 -0.08 -1.75 121.20 129.68 1stx s ILE 134 Ca 0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1stx s ILE 134 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1stx s ILE 134 CO -0.05 -0.48 0.03 -0.83 0.00 0.00 0.00 174.94 173.61 1stx s GLY 135 N 2.01 1.88 0.01 6.18 0.00 0.07 -0.86 107.32 116.61 1stx s GLY 135 Ca 0.10 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 44.10 1stx s GLY 135 CO 0.12 -0.23 -0.12 -0.19 0.00 0.00 0.00 173.10 172.67 1stx s TYR 136 N -0.22 2.73 0.01 1.90 1.51 0.24 -1.15 117.35 122.37 1stx s TYR 136 Ca 0.06 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1stx s TYR 136 Cb -0.12 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1stx s TYR 136 CO 0.02 0.29 -0.09 0.08 -1.11 0.00 0.00 175.55 174.73 1stx s VAL 137 N -0.92 0.73 0.04 0.71 1.01 -0.28 -1.64 120.40 120.06 1stx s VAL 137 Ca 0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1stx s VAL 137 Cb -0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1stx s VAL 137 CO 0.05 0.09 0.15 -0.72 0.00 0.00 0.00 175.10 174.67 1stx s TYR 138 N -0.46 0.13 -0.14 5.22 1.13 -1.15 -1.01 117.35 121.08 1stx s TYR 138 Ca 0.01 -0.41 -0.18 0.00 -1.41 0.00 0.00 57.07 55.08 1stx s TYR 138 Cb -0.05 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.68 1stx s TYR 138 CO 0.00 -0.41 0.47 0.99 -2.51 0.00 0.00 175.55 174.09 1stx s THR 139 N -2.72 5.19 0.60 -3.49 2.01 0.45 -0.87 115.64 116.80 1stx s THR 139 Ca -0.04 0.92 -0.20 0.00 0.31 0.00 0.00 61.69 62.68 1stx s THR 139 Cb -0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1stx s THR 139 CO -0.05 0.31 1.29 -0.60 -0.69 0.00 0.00 174.62 174.88 1stx s ARG 140 N 0.79 2.87 -0.12 4.92 3.52 -0.11 -1.94 118.95 128.87 1stx s ARG 140 Ca 0.25 2.07 -0.04 0.00 -0.13 0.00 0.00 55.73 57.88 1stx s ARG 140 Cb -0.15 -2.01 0.06 0.00 -1.56 0.00 0.00 34.95 31.28 1stx s ARG 140 CO 0.10 -1.35 0.18 0.08 -0.81 0.00 0.00 175.30 173.49 1stx s VAL 141 N -1.40 -0.27 0.29 7.11 1.01 -1.24 -4.80 120.40 121.10 1stx s VAL 141 Ca 0.77 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.67 1stx s VAL 141 Cb -0.37 -0.41 -0.13 0.00 0.00 0.00 0.00 36.38 35.47 1stx s VAL 141 CO 0.41 0.04 1.32 0.00 0.00 0.00 0.00 175.10 176.87 1stx n ALA 142 N 5.32 1.10 -1.78 5.51 0.00 -1.26 -4.50 120.51 124.90 1stx n ALA 142 Ca -0.05 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1stx n ALA 142 Cb 0.50 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 1stx n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1stx s THR 143 N -0.61 3.71 0.45 0.00 -4.23 -1.26 -4.94 115.64 108.76 1stx s THR 143 Ca 0.61 1.40 0.05 0.00 -1.18 0.00 0.00 61.69 62.58 1stx s THR 143 Cb -0.62 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.47 1stx s THR 143 CO 0.56 0.10 0.63 0.00 -0.54 0.00 0.00 174.62 175.37 1stx s ARG 144 N -2.23 2.80 0.46 3.99 1.70 -1.26 -5.00 118.95 119.41 1stx s ARG 144 Ca 0.54 -1.00 0.21 0.00 -0.47 0.00 0.00 55.73 55.02 1stx s ARG 144 Cb -0.24 -2.67 1.12 0.00 -0.57 0.00 0.00 34.95 32.59 1stx s ARG 144 CO 0.30 -0.36 1.96 0.87 -1.08 0.00 0.00 175.30 176.99 1stx h LYS 145 N 0.48 0.00 0.00 3.89 6.56 -2.01 -1.50 116.57 123.99 1stx h LYS 145 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1stx h LYS 145 Cb 1.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1stx h LYS 145 CO 0.49 0.22 0.00 -1.13 -2.06 0.00 0.00 179.45 176.97 1stx n SER 146 N -3.79 0.00 0.10 0.86 3.41 -1.26 -1.50 113.62 111.43 1stx n SER 146 Ca -0.02 -0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1stx n SER 146 Cb 0.32 -0.12 0.42 0.00 -0.26 0.00 0.00 64.21 64.56 1stx n SER 146 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1stx n SER 147 N -1.12 0.75 -1.89 4.04 7.64 -0.56 -3.71 113.62 118.76 1stx n SER 147 Ca 0.09 0.56 0.01 0.00 1.01 0.00 0.00 58.87 60.54 1stx n SER 147 Cb 0.08 -0.75 0.34 0.00 -1.01 0.00 0.00 64.21 62.87 1stx n SER 147 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1stx n LEU 148 N -2.20 5.70 -4.32 -3.43 7.99 -0.57 -4.44 117.00 115.74 1stx n LEU 148 Ca 0.06 -2.93 -0.21 0.00 -0.01 0.00 0.00 56.01 52.92 1stx n LEU 148 Cb 0.42 -0.71 -0.11 0.00 -0.11 0.00 0.00 43.42 42.92 1stx n LEU 148 CO 0.30 0.69 -0.48 -1.59 -1.51 0.00 0.00 177.39 174.81 1stx s LYS 149 N -2.76 1.24 0.38 3.23 -2.85 -1.24 -5.13 119.74 112.62 1stx s LYS 149 Ca 0.52 -1.39 0.03 0.00 -1.00 0.00 0.00 55.97 54.12 1stx s LYS 149 Cb 0.41 -1.26 -0.01 0.00 -2.06 0.00 0.00 37.83 34.90 1stx s LYS 149 CO 0.14 0.25 0.57 0.95 0.10 0.00 0.00 175.35 177.36 1stx s THR 150 N -2.10 4.24 0.30 3.79 -4.23 -1.26 -4.48 115.64 111.91 1stx s THR 150 Ca 0.15 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1stx s THR 150 Cb -0.05 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 1stx s THR 150 CO 0.06 -0.30 0.08 -0.31 -0.54 0.00 0.00 174.62 173.61 1stx s TYR 151 N -2.36 1.77 0.39 3.99 1.51 0.14 -4.96 117.35 117.85 1stx s TYR 151 Ca 0.45 -1.09 0.08 0.00 -1.01 0.00 0.00 57.07 55.50 1stx s TYR 151 Cb -0.10 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 1stx s TYR 151 CO 0.35 -0.17 0.15 0.54 -1.11 0.00 0.00 175.55 175.30 1stx s ASN 152 N -3.42 4.40 0.00 2.29 2.20 -1.26 -1.50 114.94 117.65 1stx s ASN 152 Ca 0.36 -1.04 0.09 0.00 -0.94 0.00 0.00 52.86 51.32 1stx s ASN 152 Cb 0.08 -0.51 0.51 0.00 -2.00 0.00 0.00 41.25 39.32 1stx s ASN 152 CO 0.15 -0.47 0.96 2.30 -2.94 0.00 0.00 177.10 177.09 1stx n ILE 153 N -1.18 0.00 0.67 0.54 -0.00 -1.26 -1.90 119.36 116.23 1stx n ILE 153 Ca -0.02 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.84 1stx n ILE 153 Cb 0.64 -0.86 0.05 0.00 -0.00 0.00 0.00 39.64 39.48 1stx n ILE 153 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1stx n ASN 154 N -0.99 0.63 -0.81 7.28 4.13 -1.26 -4.21 115.26 120.03 1stx n ASN 154 Ca 0.06 -0.26 0.08 0.00 1.68 0.00 0.00 54.58 56.14 1stx n ASN 154 Cb 0.03 0.69 0.22 0.00 -1.54 0.00 0.00 39.78 39.18 1stx n ASN 154 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1stx n GLU 155 N -1.87 2.93 -0.15 3.52 1.02 -0.80 -4.77 120.64 120.53 1stx n GLU 155 Ca 0.03 -2.57 0.20 0.00 -0.02 0.00 0.00 57.16 54.80 1stx n GLU 155 Cb 0.41 -1.65 0.58 0.00 -0.02 0.00 0.00 31.44 30.77 1stx n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1stx h LEU 156 N 1.91 0.25 -0.01 -4.62 3.38 -1.73 -0.20 115.31 114.28 1stx h LEU 156 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1stx h LEU 156 Cb 1.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1stx h LEU 156 CO 0.15 0.12 0.00 0.59 0.09 0.00 0.00 178.44 179.38 1stx n ASN 157 N -4.43 0.05 -0.62 -0.43 4.13 -1.26 -3.45 115.26 109.25 1stx n ASN 157 Ca 0.15 0.51 0.07 0.00 1.68 0.00 0.00 54.58 56.99 1stx n ASN 157 Cb 0.66 -0.52 0.18 0.00 -1.54 0.00 0.00 39.78 38.56 1stx n ASN 157 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1stx n GLU 158 N -1.55 2.75 -2.77 3.52 0.00 -0.09 -4.95 120.64 117.54 1stx n GLU 158 Ca 0.06 -2.39 -0.42 0.00 0.00 0.00 0.00 57.16 54.42 1stx n GLU 158 Cb 0.31 -1.51 -0.03 0.00 0.00 0.00 0.00 31.44 30.20 1stx n GLU 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1stx s ILE 159 N -1.97 4.85 0.36 3.84 1.01 -1.18 -5.00 121.20 123.10 1stx s ILE 159 Ca 0.30 1.91 -0.28 0.00 0.00 0.00 0.00 60.65 62.58 1stx s ILE 159 Cb 0.22 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1stx s ILE 159 CO 0.10 0.06 1.31 -2.16 0.00 0.00 0.00 174.94 174.25 1stx s PRO 160 N 1.71 4.22 -0.14 2.79 0.04 -1.26 -5.02 135.00 137.35 1stx s PRO 160 Ca 0.46 2.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.65 1stx s PRO 160 Cb -0.18 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1stx s PRO 160 CO 0.19 -0.30 0.03 0.15 0.04 0.00 0.00 177.00 177.12 1stx s LYS 161 N -1.96 3.54 -0.13 4.56 1.02 -1.26 -4.64 119.74 120.87 1stx s LYS 161 Ca 0.52 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1stx s LYS 161 Cb -0.39 -3.02 0.12 0.00 -0.52 0.00 0.00 37.83 34.02 1stx s LYS 161 CO 0.52 0.47 1.71 -0.35 -0.92 0.00 0.00 175.35 176.78 1stx n PRO 162 N 2.89 1.34 -3.83 -1.68 -0.04 -1.26 -4.84 135.00 127.58 1stx n PRO 162 Ca -0.18 -0.70 -0.07 0.00 -0.04 0.00 0.00 63.50 62.51 1stx n PRO 162 Cb 0.53 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1stx n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1stx s TYR 163 N -0.80 -0.02 -0.09 0.54 -0.85 -1.26 -3.59 117.35 111.28 1stx s TYR 163 Ca 0.14 -0.50 -0.30 0.00 -0.52 0.00 0.00 57.07 55.89 1stx s TYR 163 Cb 0.11 0.75 0.11 0.00 0.38 0.00 0.00 41.96 43.31 1stx s TYR 163 CO 0.01 -1.28 0.90 -1.59 -1.52 0.00 0.00 175.55 172.07 1stx s LYS 164 N -2.95 0.76 -1.14 -3.49 -2.85 -0.82 -4.85 119.74 104.40 1stx s LYS 164 Ca 0.14 0.02 -0.04 0.00 -1.00 0.00 0.00 55.97 55.09 1stx s LYS 164 Cb -0.05 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1stx s LYS 164 CO 0.08 -0.27 0.98 0.41 0.10 0.00 0.00 175.35 176.64 1stx n GLY 165 N 0.44 -0.33 3.74 0.59 0.00 -1.26 -0.41 105.19 107.96 1stx n GLY 165 Ca -0.12 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1stx n GLY 165 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1stx s VAL 166 N -3.31 3.70 0.14 1.61 -7.23 -1.26 -4.34 120.40 109.71 1stx s VAL 166 Ca 0.25 1.50 0.08 0.00 -1.81 0.00 0.00 61.98 62.01 1stx s VAL 166 Cb -0.11 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.83 1stx s VAL 166 CO 0.65 0.27 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.99 1stx s LYS 167 N -0.56 1.18 0.02 4.82 1.02 -0.18 -4.96 119.74 121.08 1stx s LYS 167 Ca 0.49 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 55.20 1stx s LYS 167 Cb -0.31 -1.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1stx s LYS 167 CO 0.37 0.27 -0.05 0.54 -0.92 0.00 0.00 175.35 175.56 1stx s VAL 168 N -1.76 0.37 0.10 3.17 0.11 -1.26 -1.12 120.40 120.00 1stx s VAL 168 Ca 0.11 -0.66 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1stx s VAL 168 Cb -0.07 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1stx s VAL 168 CO 0.05 -0.20 0.13 0.72 -3.33 0.00 0.00 175.10 172.46 1stx s PHE 169 N -0.85 0.43 -0.04 1.54 -0.12 -0.30 -4.90 117.98 113.75 1stx s PHE 169 Ca -0.06 -0.87 0.04 0.00 -0.05 0.00 0.00 56.93 55.99 1stx s PHE 169 Cb -0.06 -0.23 -0.00 0.00 -0.63 0.00 0.00 43.02 42.10 1stx s PHE 169 CO -0.00 -0.53 -0.15 -1.17 -0.05 0.00 0.00 175.22 173.32 1stx s LEU 170 N -2.93 1.90 -0.09 -1.99 0.20 -1.26 -0.75 118.68 113.76 1stx s LEU 170 Ca 0.12 -0.31 -0.31 0.00 0.69 0.00 0.00 54.13 54.32 1stx s LEU 170 Cb 0.06 -0.86 0.09 0.00 -0.43 0.00 0.00 46.19 45.05 1stx s LEU 170 CO -0.06 0.14 0.78 -1.58 -0.29 0.00 0.00 176.35 175.34 1stx s GLN 171 N 0.02 0.91 0.41 1.98 2.00 -0.72 -4.89 119.66 119.37 1stx s GLN 171 Ca -0.02 0.25 -0.26 0.00 -2.00 0.00 0.00 55.36 53.32 1stx s GLN 171 Cb -0.10 0.43 -0.10 0.00 0.80 0.00 0.00 33.01 34.04 1stx s GLN 171 CO 0.01 -0.28 1.41 -0.25 -0.50 0.00 0.00 175.29 175.68 1stx n ASP 172 N 0.91 3.27 -0.06 6.67 8.00 -1.26 -0.62 116.55 133.47 1stx n ASP 172 Ca -0.16 1.16 -0.08 0.00 0.71 0.00 0.00 54.79 56.42 1stx n ASP 172 Cb 0.57 -1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.08 1stx n ASP 172 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1stx h LYS 173 N 2.47 0.15 0.00 -1.24 3.64 -0.99 -2.83 116.57 117.78 1stx h LYS 173 Ca -0.50 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1stx h LYS 173 Cb 1.27 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1stx h LYS 173 CO 0.62 0.10 -0.14 0.11 -2.27 0.00 0.00 179.45 177.87 1stx h TRP 174 N 0.16 0.00 -0.47 1.91 5.08 -1.91 -1.59 115.95 119.13 1stx h TRP 174 Ca 0.12 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.95 1stx h TRP 174 Cb 0.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1stx h TRP 174 CO -0.15 0.14 -0.24 0.28 -1.28 0.00 0.00 178.44 177.19 1stx h VAL 175 N 0.00 1.27 -0.01 0.12 2.07 -1.88 -3.11 116.25 114.71 1stx h VAL 175 Ca -0.00 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1stx h VAL 175 Cb 0.25 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1stx h VAL 175 CO 0.02 0.48 -0.22 2.30 0.02 0.00 0.00 177.57 180.18 1stx n ILE 176 N -4.10 0.00 -2.00 4.57 -5.35 -1.07 -3.74 119.36 107.66 1stx n ILE 176 Ca -0.00 -0.24 -0.39 0.00 -0.27 0.00 0.00 62.75 61.85 1stx n ILE 176 Cb 0.47 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 1stx n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1stx s ALA 177 N -2.31 3.15 0.00 -1.28 0.00 -0.62 -0.82 121.76 119.87 1stx s ALA 177 Ca 0.27 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1stx s ALA 177 Cb 0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1stx s ALA 177 CO 0.46 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1stx n GLY 178 N 0.63 2.59 0.00 0.00 0.00 0.82 -4.31 105.19 104.92 1stx n GLY 178 Ca 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1stx n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1stx n ASP 179 N -0.96 1.49 -4.36 1.61 5.75 -1.26 -4.78 116.55 114.05 1stx n ASP 179 Ca 0.00 -1.54 -0.32 0.00 -0.01 0.00 0.00 54.79 52.92 1stx n ASP 179 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 1stx n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1stx s LEU 180 N -0.54 2.44 0.24 -2.12 1.43 -1.26 -4.61 118.68 114.25 1stx s LEU 180 Ca 0.00 -0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 1stx s LEU 180 Cb 0.00 -1.49 -0.16 0.00 0.03 0.00 0.00 46.19 44.58 1stx s LEU 180 CO 0.00 0.25 0.78 0.00 0.23 0.00 0.00 176.35 177.61 1stx n ALA 181 N 2.91 -1.56 0.10 4.21 0.00 -1.26 -2.43 120.51 122.48 1stx n ALA 181 Ca -0.18 0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.75 1stx n ALA 181 Cb 0.52 -1.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 1stx n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1stx h GLY 182 N 1.57 0.00 -3.50 0.00 0.00 0.04 -3.40 103.07 97.77 1stx h GLY 182 Ca -0.34 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1stx h GLY 182 CO 0.59 0.00 -0.02 -1.35 0.00 0.00 0.00 176.54 175.77 1stx s SER 183 N -5.75 -0.36 0.00 0.19 1.04 -1.23 -4.86 113.70 102.73 1stx s SER 183 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1stx s SER 183 Cb 0.08 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1stx s SER 183 CO 0.78 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1stx n GLY 184 N 0.24 -0.05 0.28 7.32 0.00 -1.26 -3.14 105.19 108.59 1stx n GLY 184 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1stx n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1stx h ASN 185 N 0.00 0.00 -0.52 1.61 7.08 -2.00 -2.01 115.58 119.74 1stx h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1stx h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1stx h ASN 185 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1stx n THR 186 N -4.31 2.69 -3.41 6.14 -2.24 -1.26 -5.01 114.28 106.88 1stx n THR 186 Ca -0.02 -1.50 -0.13 0.00 -2.27 0.00 0.00 64.05 60.13 1stx n THR 186 Cb 0.12 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1stx n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1stx n THR 187 N 0.41 -1.06 -3.85 4.28 -2.24 -0.76 -4.66 114.28 106.41 1stx n THR 187 Ca 0.27 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.62 1stx n THR 187 Cb 1.15 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1stx n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1stx s ASN 188 N -3.38 6.40 0.22 3.42 0.02 -1.19 -1.85 114.94 118.60 1stx s ASN 188 Ca 0.09 0.38 -0.30 0.00 -1.02 0.00 0.00 52.86 52.01 1stx s ASN 188 Cb -0.05 -2.01 -0.09 0.00 0.02 0.00 0.00 41.25 39.13 1stx s ASN 188 CO 0.34 0.16 1.25 -0.63 0.02 0.00 0.00 177.10 178.25 1stx s ILE 189 N -1.50 3.28 0.02 0.60 1.01 0.93 0.60 121.20 126.14 1stx s ILE 189 Ca 0.35 1.12 -0.08 0.00 0.00 0.00 0.00 60.65 62.04 1stx s ILE 189 Cb -0.13 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1stx s ILE 189 CO 0.25 0.20 0.30 -0.83 0.00 0.00 0.00 174.94 174.85 1stx s GLY 190 N 0.03 2.28 0.86 6.18 0.00 -1.02 -1.16 107.32 114.48 1stx s GLY 190 Ca 0.53 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 1stx s GLY 190 CO 0.40 -0.32 1.20 -1.35 0.00 0.00 0.00 173.10 173.03 1stx s SER 191 N -1.66 3.79 0.95 1.64 1.04 -0.44 -0.13 113.70 118.89 1stx s SER 191 Ca 0.28 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.85 1stx s SER 191 Cb -0.13 -0.52 0.16 0.00 0.10 0.00 0.00 66.02 65.63 1stx s SER 191 CO 0.16 -2.29 1.09 0.27 0.98 0.00 0.00 173.24 173.45 1stx s ILE 192 N -3.62 2.40 -0.38 -1.02 -4.36 0.00 -3.95 121.20 110.28 1stx s ILE 192 Ca 0.69 0.13 -0.04 0.00 -0.26 0.00 0.00 60.65 61.17 1stx s ILE 192 Cb -0.06 -2.38 0.09 0.00 1.25 0.00 0.00 42.46 41.35 1stx s ILE 192 CO 0.50 -0.17 0.15 -2.28 0.24 0.00 0.00 174.94 173.38 1stx s HIS 193 N -2.74 3.45 0.38 1.37 5.65 -1.26 -4.43 115.29 117.71 1stx s HIS 193 Ca 0.65 -2.10 -0.11 0.00 0.25 0.00 0.00 55.06 53.75 1stx s HIS 193 Cb -0.21 -2.84 0.05 0.00 -1.18 0.00 0.00 32.58 28.39 1stx s HIS 193 CO 0.59 -0.90 0.71 0.00 -0.65 0.00 0.00 174.74 174.49 1stx n ALA 194 N 4.65 -1.38 -1.93 1.58 0.00 -0.77 -4.88 120.51 117.79 1stx n ALA 194 Ca -0.07 -1.37 -0.32 0.00 0.00 0.00 0.00 53.44 51.69 1stx n ALA 194 Cb 0.42 1.09 -0.05 0.00 0.00 0.00 0.00 19.45 20.92 1stx n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1stx s HIS 195 N -2.40 3.41 0.22 0.00 3.76 -1.26 0.28 115.29 119.31 1stx s HIS 195 Ca 0.20 1.40 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 1stx s HIS 195 Cb -0.04 -2.72 0.29 0.00 1.11 0.00 0.00 32.58 31.22 1stx s HIS 195 CO 0.14 -0.21 1.39 0.98 -0.85 0.00 0.00 174.74 176.19 1stx n TYR 196 N -1.17 0.14 -0.30 1.40 9.36 -1.26 -1.05 117.16 124.27 1stx n TYR 196 Ca 0.06 1.09 0.12 0.00 3.32 0.00 0.00 57.90 62.49 1stx n TYR 196 Cb 0.54 -0.90 0.29 0.00 -0.63 0.00 0.00 39.34 38.64 1stx n TYR 196 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 1stx h LYS 197 N 0.00 0.43 0.00 2.98 5.09 -1.99 -0.01 116.57 123.07 1stx h LYS 197 Ca 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 61.06 1stx h LYS 197 Cb 0.58 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 32.81 1stx h LYS 197 CO -0.90 0.29 -0.03 -0.44 -2.09 0.00 0.00 179.45 176.28 1stx h ASP 198 N 0.45 0.00 0.05 7.07 3.45 -1.47 -0.09 116.42 125.88 1stx h ASP 198 Ca 0.54 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 58.00 1stx h ASP 198 Cb 0.98 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1stx h ASP 198 CO -0.49 0.03 -0.02 -0.26 -1.57 0.00 0.00 179.24 176.92 1stx h PHE 199 N 0.00 -0.06 -0.75 4.55 -1.00 -1.03 0.15 116.94 118.79 1stx h PHE 199 Ca -0.00 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 1stx h PHE 199 Cb 0.05 0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.57 1stx h PHE 199 CO 0.00 0.51 0.44 0.28 -1.61 0.00 0.00 178.31 177.93 1stx h VAL 200 N -0.69 0.98 0.00 -0.55 2.07 -1.23 -2.76 116.25 114.07 1stx h VAL 200 Ca -0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1stx h VAL 200 Cb 0.60 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1stx h VAL 200 CO 0.01 0.15 -0.28 -0.33 0.02 0.00 0.00 177.57 177.14 1stx h GLU 201 N 0.80 0.00 -0.36 1.57 5.08 -1.02 -3.49 114.58 117.16 1stx h GLU 201 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1stx h GLU 201 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1stx h GLU 201 CO -0.19 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.23 1stx n GLY 202 N 1.20 0.79 2.98 -3.84 0.00 0.41 -4.97 105.19 101.75 1stx n GLY 202 Ca 0.04 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1stx n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1stx n LYS 203 N -0.75 3.50 0.00 1.61 4.01 -0.51 -4.94 118.16 121.09 1stx n LYS 203 Ca 0.00 -3.50 0.00 0.00 -0.51 0.00 0.00 58.31 54.30 1stx n LYS 203 Cb 0.41 -2.99 0.00 0.00 -0.51 0.00 0.00 35.03 31.94 1stx n LYS 203 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1stx n GLY 204 N 3.22 1.12 0.00 0.72 0.00 -1.25 -4.95 105.19 104.05 1stx n GLY 204 Ca 0.41 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1stx n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1stx n ILE 205 N 0.00 0.00 -2.58 -0.61 -5.35 -1.26 -5.03 119.36 104.53 1stx n ILE 205 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 1stx n ILE 205 Cb 0.00 -0.13 -0.05 0.00 -1.74 0.00 0.00 39.64 37.72 1stx n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1stx s PHE 206 N -1.91 3.50 -0.16 4.28 0.08 -1.26 -4.93 117.98 117.58 1stx s PHE 206 Ca 0.00 1.71 0.20 0.00 0.12 0.00 0.00 56.93 58.96 1stx s PHE 206 Cb 0.00 -3.13 0.40 0.00 -0.57 0.00 0.00 43.02 39.72 1stx s PHE 206 CO 0.00 -0.37 1.60 -0.44 -0.10 0.00 0.00 175.22 175.92 1stx h ASP 207 N 3.17 0.00 -5.00 1.36 3.32 -1.96 -3.48 116.42 113.83 1stx h ASP 207 Ca -0.47 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.63 1stx h ASP 207 Cb 1.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1stx h ASP 207 CO 0.65 0.27 0.24 -0.94 -1.72 0.00 0.00 179.24 177.74 1stx s SER 208 N -6.29 -0.21 0.25 6.45 1.04 -1.26 -5.03 113.70 108.65 1stx s SER 208 Ca 0.04 -0.72 0.09 0.00 0.48 0.00 0.00 55.95 55.84 1stx s SER 208 Cb 0.07 0.75 0.28 0.00 0.10 0.00 0.00 66.02 67.23 1stx s SER 208 CO 0.69 -1.42 1.57 -0.08 0.98 0.00 0.00 173.24 174.98 1stx h GLU 209 N 2.00 0.04 -0.18 4.02 4.81 -1.92 -2.47 114.58 120.87 1stx h GLU 209 Ca -0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1stx h GLU 209 Cb 1.25 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1stx h GLU 209 CO 0.27 0.68 0.09 0.22 -0.73 0.00 0.00 179.01 179.54 1stx h ASP 210 N 0.02 0.23 -0.67 1.04 1.82 -1.99 -1.23 116.42 115.65 1stx h ASP 210 Ca -0.01 -0.10 -0.08 0.00 -0.39 0.00 0.00 57.03 56.45 1stx h ASP 210 Cb 1.17 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 41.09 1stx h ASP 210 CO 0.09 0.27 0.12 -0.08 -1.61 0.00 0.00 179.24 178.03 1stx h GLU 211 N 0.18 1.11 -0.05 0.28 4.81 -1.94 0.54 114.58 119.50 1stx h GLU 211 Ca 0.06 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1stx h GLU 211 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1stx h GLU 211 CO -0.01 1.01 -0.05 0.35 -0.73 0.00 0.00 179.01 179.58 1stx h PHE 212 N 1.03 -0.11 -0.37 0.92 3.57 -1.31 -0.52 116.94 120.14 1stx h PHE 212 Ca 0.21 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1stx h PHE 212 Cb 0.43 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1stx h PHE 212 CO 0.03 -0.08 0.06 -0.07 -2.23 0.00 0.00 178.31 176.03 1stx h LEU 213 N -0.06 0.58 -1.35 0.59 3.38 -1.00 -2.28 115.31 115.18 1stx h LEU 213 Ca 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1stx h LEU 213 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1stx h LEU 213 CO -0.09 0.69 0.14 -0.78 0.09 0.00 0.00 178.44 178.49 1stx h ASP 214 N 0.45 0.53 -0.12 -0.43 3.58 -0.77 -1.00 116.42 118.66 1stx h ASP 214 Ca 0.11 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 1stx h ASP 214 Cb 0.35 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1stx h ASP 214 CO 0.01 0.50 -0.34 0.22 -2.88 0.00 0.00 179.24 176.75 1stx h TYR 215 N 0.58 0.57 0.00 0.28 5.03 -0.71 -2.49 116.97 120.22 1stx h TYR 215 Ca 0.14 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1stx h TYR 215 Cb 0.15 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.34 1stx h TYR 215 CO 0.01 0.95 0.00 -1.49 -1.32 0.00 0.00 178.16 176.31 1stx h TRP 216 N 0.02 0.00 0.00 -3.82 4.06 -1.33 -1.46 115.95 113.41 1stx h TRP 216 Ca -0.01 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.78 1stx h TRP 216 Cb 0.96 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.09 1stx h TRP 216 CO 0.11 0.00 -0.96 0.00 -3.56 0.00 0.00 178.44 174.03 1stx h ARG 217 N 0.00 0.00 -0.39 0.49 3.08 -1.17 -3.30 114.38 113.09 1stx h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1stx h ARG 217 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1stx h ARG 217 CO 0.00 0.56 0.00 0.09 -1.07 0.00 0.00 179.97 179.55 1stx n ASN 218 N -3.15 3.13 -4.72 7.04 3.02 -0.94 -4.98 115.26 114.66 1stx n ASN 218 Ca -0.03 -2.07 -0.42 0.00 -0.03 0.00 0.00 54.58 52.03 1stx n ASN 218 Cb 0.84 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 1stx n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1stx s TYR 219 N -1.13 3.45 0.24 3.10 5.04 -0.56 -4.96 117.35 122.52 1stx s TYR 219 Ca 0.28 1.36 -0.18 0.00 -2.44 0.00 0.00 57.07 56.08 1stx s TYR 219 Cb 0.15 -3.42 -0.08 0.00 0.35 0.00 0.00 41.96 38.96 1stx s TYR 219 CO 0.17 -1.22 0.70 -1.21 -1.34 0.00 0.00 175.55 172.65 1stx s GLU 220 N 0.53 4.15 0.49 4.97 0.41 -1.26 -5.01 118.70 122.97 1stx s GLU 220 Ca 0.56 0.76 0.25 0.00 -0.41 0.00 0.00 54.97 56.13 1stx s GLU 220 Cb -0.31 -2.77 1.24 0.00 -1.78 0.00 0.00 34.13 30.52 1stx s GLU 220 CO 0.32 0.34 1.99 0.00 -0.49 0.00 0.00 175.26 177.42 1stx h ARG 221 N 3.13 0.00 -5.72 1.61 3.08 -1.95 -3.43 114.38 111.10 1stx h ARG 221 Ca -0.48 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.09 1stx h ARG 221 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.06 1stx h ARG 221 CO 0.65 0.17 -0.77 0.95 -1.07 0.00 0.00 179.97 179.91 1stx s THR 222 N -4.07 1.63 0.20 2.04 -4.23 -1.26 -5.03 115.64 104.92 1stx s THR 222 Ca -0.02 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.52 1stx s THR 222 Cb 0.13 -1.74 0.14 0.00 1.34 0.00 0.00 72.50 72.36 1stx s THR 222 CO 0.61 -0.37 1.74 0.28 -0.54 0.00 0.00 174.62 176.34 1stx h SER 223 N 3.30 0.19 -0.63 3.99 0.02 -1.99 -1.42 113.55 117.01 1stx h SER 223 Ca -0.41 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1stx h SER 223 Cb 1.20 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1stx h SER 223 CO 0.52 0.12 0.23 -0.61 -1.14 0.00 0.00 176.83 175.94 1stx h GLN 224 N 0.38 0.99 -0.25 3.45 5.75 -1.98 -2.31 115.11 121.14 1stx h GLN 224 Ca 0.29 -0.18 -0.17 0.00 -0.15 0.00 0.00 58.65 58.44 1stx h GLN 224 Cb 0.36 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 1stx h GLN 224 CO -0.30 0.83 -0.54 -0.07 -2.65 0.00 0.00 178.83 176.10 1stx h LEU 225 N 0.96 0.81 -0.86 -2.39 3.38 -1.69 -3.12 115.31 112.40 1stx h LEU 225 Ca 0.22 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1stx h LEU 225 Cb 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1stx h LEU 225 CO -0.01 1.18 -0.02 0.03 0.09 0.00 0.00 178.44 179.71 1stx h ARG 226 N 0.56 0.00 0.00 1.13 3.08 -1.14 -3.26 114.38 114.74 1stx h ARG 226 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1stx h ARG 226 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1stx h ARG 226 CO 0.11 0.02 0.00 -0.91 -1.07 0.00 0.00 179.97 178.13 1stx h ASN 227 N 0.00 0.00 -0.01 7.04 -0.26 -1.35 0.68 115.58 121.68 1stx h ASN 227 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1stx h ASN 227 Cb 0.73 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1stx h ASN 227 CO 0.00 0.00 -0.48 0.47 -1.06 0.00 0.00 177.43 176.36 1stx n ASP 228 N -2.54 1.77 0.00 5.81 8.00 -1.23 -4.79 116.55 123.57 1stx n ASP 228 Ca -0.01 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1stx n ASP 228 Cb 0.10 0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1stx n ASP 228 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1stx n LYS 229 N -0.22 0.00 -3.64 -1.24 4.81 0.52 -5.07 118.16 113.33 1stx n LYS 229 Ca 0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.46 1stx n LYS 229 Cb 0.41 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.39 1stx n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1stx s TYR 230 N 0.00 -0.49 -0.94 5.64 -0.85 0.21 -4.77 117.35 116.14 1stx s TYR 230 Ca 0.00 1.09 0.15 0.00 -0.52 0.00 0.00 57.07 57.79 1stx s TYR 230 Cb 0.00 0.36 -0.11 0.00 0.38 0.00 0.00 41.96 42.60 1stx s TYR 230 CO 0.00 -0.24 0.69 0.09 -1.52 0.00 0.00 175.55 174.57 1stx n ASN 231 N 2.78 0.99 -3.15 -0.18 4.13 -1.26 -4.74 115.26 113.84 1stx n ASN 231 Ca -0.15 -1.00 -0.14 0.00 1.68 0.00 0.00 54.58 54.97 1stx n ASN 231 Cb 0.57 0.82 -0.03 0.00 -1.54 0.00 0.00 39.78 39.59 1stx n ASN 231 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1stx s ASN 232 N -2.19 0.86 0.18 6.41 2.20 -1.26 -4.76 114.94 116.39 1stx s ASN 232 Ca 0.08 -1.47 -0.12 0.00 -0.94 0.00 0.00 52.86 50.41 1stx s ASN 232 Cb 0.11 0.70 0.10 0.00 -2.00 0.00 0.00 41.25 40.16 1stx s ASN 232 CO 0.53 -1.37 1.80 -0.29 -2.94 0.00 0.00 177.10 174.83 1stx h ILE 233 N 2.08 1.20 0.25 0.54 6.09 -1.97 -0.82 117.51 124.89 1stx h ILE 233 Ca -0.29 -0.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.70 1stx h ILE 233 Cb 1.24 0.37 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1stx h ILE 233 CO 0.39 0.22 -0.12 0.28 -3.07 0.00 0.00 178.15 175.84 1stx h SER 234 N 0.86 -0.29 -0.98 2.19 0.02 -1.99 -0.35 113.55 113.01 1stx h SER 234 Ca 0.22 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1stx h SER 234 Cb 0.03 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 1stx h SER 234 CO -0.04 -0.08 0.63 -0.33 -1.14 0.00 0.00 176.83 175.88 1stx h GLU 235 N -0.50 1.04 -0.52 3.45 5.08 -1.94 -1.01 114.58 120.19 1stx h GLU 235 Ca -0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1stx h GLU 235 Cb 0.37 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1stx h GLU 235 CO 0.06 0.69 0.17 -0.92 -1.00 0.00 0.00 179.01 178.01 1stx h TYR 236 N 1.07 0.82 -0.25 4.33 3.20 -0.74 0.26 116.97 125.66 1stx h TYR 236 Ca 0.45 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 62.16 1stx h TYR 236 Cb 0.30 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1stx h TYR 236 CO -0.00 0.70 -0.16 0.00 -1.64 0.00 0.00 178.16 177.06 1stx h ARG 237 N 0.70 0.43 -0.21 1.82 3.08 -0.25 0.36 114.38 120.32 1stx h ARG 237 Ca 0.17 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1stx h ARG 237 Cb 0.26 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1stx h ARG 237 CO -0.01 0.58 -0.30 -0.97 -1.07 0.00 0.00 179.97 178.20 1stx h ASN 238 N 0.40 0.63 -0.48 7.04 -1.24 -0.83 0.66 115.58 121.75 1stx h ASN 238 Ca 0.07 -0.52 0.06 0.00 0.71 0.00 0.00 56.30 56.62 1stx h ASN 238 Cb 0.51 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.34 1stx h ASN 238 CO 0.03 1.02 0.20 -0.25 -1.29 0.00 0.00 177.43 177.15 1stx h TRP 239 N 0.26 0.36 -0.33 0.67 7.01 -0.08 -0.23 115.95 123.61 1stx h TRP 239 Ca 0.02 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1stx h TRP 239 Cb 0.88 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1stx h TRP 239 CO 0.09 0.15 0.13 0.82 -2.79 0.00 0.00 178.44 176.83 1stx h ILE 240 N 0.40 1.19 -0.15 2.65 1.08 -0.15 -0.26 117.51 122.27 1stx h ILE 240 Ca 0.22 -0.57 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1stx h ILE 240 Cb 0.19 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1stx h ILE 240 CO -0.20 0.20 0.05 0.22 -0.69 0.00 0.00 178.15 177.73 1stx h TYR 241 N 0.39 0.09 -0.08 1.37 3.20 -0.20 -2.32 116.97 119.42 1stx h TYR 241 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1stx h TYR 241 Cb 0.19 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1stx h TYR 241 CO -0.00 0.05 0.05 2.89 -1.64 0.00 0.00 178.16 179.50 1stx n ARG 242 N -5.05 1.10 -1.93 1.82 1.85 -0.16 -4.79 116.66 109.51 1stx n ARG 242 Ca -0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.58 1stx n ARG 242 Cb 0.06 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1stx n ARG 242 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1stx n GLY 243 N 0.36 0.66 3.45 2.89 0.00 -0.87 -4.38 105.19 107.30 1stx n GLY 243 Ca 0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1stx n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stx n ARG 244 N -0.84 -1.74 0.00 1.61 1.74 -0.12 -5.02 116.66 112.29 1stx n ARG 244 Ca 0.00 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1stx n ARG 244 Cb 0.45 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.88 1stx n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47