#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdx s ASP 2 N 0.00 1.53 0.00 8.00 1.47 -1.26 -4.95 116.67 121.46 1rdx s ASP 2 Ca 0.00 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.62 1rdx s ASP 2 Cb 0.00 -0.28 0.00 0.00 -0.34 0.00 0.00 42.92 42.30 1rdx s ASP 2 CO 0.00 -0.25 0.23 0.00 0.68 0.00 0.00 175.17 175.84 1rdx n GLN 3 N 5.23 0.00 -1.54 2.11 6.02 -1.26 -5.09 117.38 122.85 1rdx n GLN 3 Ca -0.05 -0.23 -0.24 0.00 -0.01 0.00 0.00 57.00 56.47 1rdx n GLN 3 Cb 0.50 0.47 -0.09 0.00 1.02 0.00 0.00 30.24 32.14 1rdx n GLN 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rdx n ALA 4 N 0.00 0.58 -0.38 -1.58 0.00 -1.26 -4.88 120.51 112.98 1rdx n ALA 4 Ca -0.06 -1.07 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 1rdx n ALA 4 Cb 0.34 -3.05 0.29 0.00 0.00 0.00 0.00 19.45 17.03 1rdx n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rdx n ALA 5 N 15.35 -4.92 -2.09 0.00 0.00 -1.26 -5.08 120.51 122.51 1rdx n ALA 5 Ca 0.48 -1.54 -0.18 0.00 0.00 0.00 0.00 53.44 52.20 1rdx n ALA 5 Cb 0.39 -0.13 0.14 0.00 0.00 0.00 0.00 19.45 19.84 1rdx n ALA 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1rdx n PHE 6 N -5.66 -3.57 -0.32 0.00 -1.74 -1.26 -5.11 117.46 99.79 1rdx n PHE 6 Ca 0.14 -1.16 0.00 0.00 -0.56 0.00 0.00 57.45 55.87 1rdx n PHE 6 Cb 0.60 -0.73 0.00 0.00 1.52 0.00 0.00 39.48 40.87 1rdx n PHE 6 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1rdx n ASP 7 N -3.36 -0.40 -0.02 5.98 9.92 -1.26 -4.83 116.55 122.58 1rdx n ASP 7 Ca 0.13 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1rdx n ASP 7 Cb 0.47 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1rdx n ASP 7 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1rdx n THR 8 N -1.42 0.00 -3.50 -3.53 -1.04 -1.26 -5.10 114.28 98.44 1rdx n THR 8 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1rdx n THR 8 Cb 0.00 -0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.38 1rdx n THR 8 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1rdx s ASN 9 N -2.12 -0.41 0.14 8.00 2.47 -1.26 -5.18 114.94 116.58 1rdx s ASN 9 Ca 0.00 0.08 -0.16 0.00 0.42 0.00 0.00 52.86 53.19 1rdx s ASN 9 Cb 0.00 0.42 0.03 0.00 -1.45 0.00 0.00 41.25 40.25 1rdx s ASN 9 CO 0.00 -0.65 0.43 0.27 -3.72 0.00 0.00 177.10 173.43 1rdx s ILE 10 N -2.92 0.06 -0.38 -5.21 -4.36 -1.26 -5.14 121.20 101.99 1rdx s ILE 10 Ca 0.03 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 1rdx s ILE 10 Cb -0.01 -1.27 0.12 0.00 1.25 0.00 0.00 42.46 42.55 1rdx s ILE 10 CO -0.08 -0.26 0.18 -0.69 0.24 0.00 0.00 174.94 174.33 1rdx s VAL 11 N -3.82 1.05 0.00 8.37 1.01 -1.26 -5.05 120.40 120.69 1rdx s VAL 11 Ca 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1rdx s VAL 11 Cb 0.01 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1rdx s VAL 11 CO -0.10 -0.83 0.00 0.35 0.00 0.00 0.00 175.10 174.52 1rdx n THR 12 N 4.08 0.00 -0.10 3.92 -2.24 -1.15 0.36 114.28 119.15 1rdx n THR 12 Ca 0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1rdx n THR 12 Cb 0.37 -1.98 -0.11 0.00 -2.10 0.00 0.00 70.33 66.51 1rdx n THR 12 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1rdx n LEU 13 N 0.00 2.04 0.04 3.22 7.94 -1.26 -4.25 117.00 124.72 1rdx n LEU 13 Ca 0.00 -0.08 -0.14 0.00 -1.11 0.00 0.00 56.01 54.68 1rdx n LEU 13 Cb 0.00 -0.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.48 1rdx n LEU 13 CO 0.00 0.72 0.54 0.74 -1.11 0.00 0.00 177.39 178.29 1rdx h THR 14 N 0.00 0.07 -1.03 1.96 2.02 -1.96 0.50 112.91 114.48 1rdx h THR 14 Ca -0.48 0.00 0.28 0.00 0.77 0.00 0.00 66.41 66.98 1rdx h THR 14 Cb 1.84 0.07 -0.13 0.00 -1.74 0.00 0.00 68.15 68.19 1rdx h THR 14 CO -0.04 0.00 0.61 0.03 0.37 0.00 0.00 175.52 176.49 1rdx h ARG 15 N -0.60 0.44 -0.53 6.66 3.08 -1.96 0.42 114.38 121.89 1rdx h ARG 15 Ca 0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1rdx h ARG 15 Cb 0.69 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1rdx h ARG 15 CO -0.37 0.29 0.28 0.35 -1.07 0.00 0.00 179.97 179.46 1rdx h PHE 16 N 0.46 0.51 0.04 3.04 3.04 -1.07 0.51 116.94 123.47 1rdx h PHE 16 Ca 0.67 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 62.33 1rdx h PHE 16 Cb 1.46 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.78 1rdx h PHE 16 CO -0.01 0.26 -1.73 0.28 -2.02 0.00 0.00 178.31 175.09 1rdx h VAL 17 N 0.54 0.86 -0.97 1.41 2.07 -1.05 -1.88 116.25 117.24 1rdx h VAL 17 Ca 0.23 -2.66 0.12 0.00 0.82 0.00 0.00 66.70 65.22 1rdx h VAL 17 Cb 0.12 2.49 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 1rdx h VAL 17 CO -0.15 0.63 0.61 -0.03 0.02 0.00 0.00 177.57 178.66 1rdx h MET 18 N 0.02 0.89 0.00 1.57 1.85 -0.01 0.42 114.93 119.68 1rdx h MET 18 Ca -0.30 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 1rdx h MET 18 Cb 2.01 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 33.84 1rdx h MET 18 CO 0.09 0.59 0.00 0.39 -0.40 0.00 0.00 176.91 177.58 1rdx n GLU 19 N -4.60 0.00 -0.34 0.39 1.02 0.18 -3.87 120.64 113.41 1rdx n GLU 19 Ca 0.18 0.08 0.20 0.00 -0.02 0.00 0.00 57.16 57.61 1rdx n GLU 19 Cb 0.38 -0.54 0.44 0.00 -0.02 0.00 0.00 31.44 31.70 1rdx n GLU 19 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1rdx h GLN 20 N 0.00 0.47 -0.21 3.49 1.08 -1.41 -2.22 115.11 116.30 1rdx h GLN 20 Ca 0.00 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1rdx h GLN 20 Cb 0.00 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.25 1rdx h GLN 20 CO 0.00 0.31 -0.36 0.78 -0.95 0.00 0.00 178.83 178.61 1rdx h GLY 21 N 0.48 -0.50 2.00 3.46 0.00 -0.29 -0.72 103.07 107.51 1rdx h GLY 21 Ca 0.65 0.45 -0.07 0.00 0.00 0.00 0.00 47.33 48.36 1rdx h GLY 21 CO -0.45 -0.22 -0.33 3.21 0.00 0.00 0.00 176.54 178.76 1rdx h ARG 22 N -0.39 0.00 0.00 4.80 3.08 -1.52 -1.01 114.38 119.34 1rdx h ARG 22 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1rdx h ARG 22 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1rdx h ARG 22 CO -0.43 0.33 0.00 1.17 -1.07 0.00 0.00 179.97 179.97 1rdx n LYS 23 N -4.08 0.01 -0.40 0.04 4.81 -0.31 0.14 118.16 118.37 1rdx n LYS 23 Ca -0.02 0.37 0.08 0.00 -0.87 0.00 0.00 58.31 57.87 1rdx n LYS 23 Cb 0.38 -1.50 0.25 0.00 0.02 0.00 0.00 35.03 34.17 1rdx n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rdx n ALA 24 N -1.47 2.76 -3.17 3.14 0.00 -0.39 -5.03 120.51 116.36 1rdx n ALA 24 Ca 0.02 -1.75 -0.33 0.00 0.00 0.00 0.00 53.44 51.37 1rdx n ALA 24 Cb 0.07 -0.69 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1rdx n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rdx n ARG 25 N 0.21 -1.63 0.00 0.00 3.00 0.37 -4.98 116.66 113.63 1rdx n ARG 25 Ca 0.19 1.18 0.00 0.00 -0.01 0.00 0.00 57.85 59.21 1rdx n ARG 25 Cb 0.74 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1rdx n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rdx n GLY 26 N -0.22 5.44 0.01 -0.13 0.00 -1.25 -5.04 105.19 104.00 1rdx n GLY 26 Ca -0.09 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1rdx n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rdx n THR 27 N 0.00 0.07 -1.36 2.61 -2.24 -1.26 -4.95 114.28 107.15 1rdx n THR 27 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1rdx n THR 27 Cb 0.00 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1rdx n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rdx n GLY 28 N 1.57 0.51 0.13 3.38 0.00 -1.26 -4.94 105.19 104.58 1rdx n GLY 28 Ca -0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 1rdx n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rdx h GLU 29 N 0.00 0.30 -0.69 1.61 4.81 -1.99 -3.18 114.58 115.43 1rdx h GLU 29 Ca 0.00 -0.52 0.16 0.00 -0.13 0.00 0.00 59.36 58.87 1rdx h GLU 29 Cb 0.48 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1rdx h GLU 29 CO 0.00 1.25 0.47 1.98 -0.73 0.00 0.00 179.01 181.98 1rdx h MET 30 N -0.15 0.24 0.00 1.92 4.05 -1.97 -1.14 114.93 117.88 1rdx h MET 30 Ca -0.32 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 58.96 1rdx h MET 30 Cb 1.89 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.62 1rdx h MET 30 CO 0.11 0.16 -0.60 1.15 0.23 0.00 0.00 176.91 177.95 1rdx h THR 31 N 0.24 1.09 -0.71 -0.77 2.02 -1.95 -3.19 112.91 109.64 1rdx h THR 31 Ca 0.34 -2.37 0.21 0.00 0.77 0.00 0.00 66.41 65.35 1rdx h THR 31 Cb 0.97 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 1rdx h THR 31 CO -0.07 0.59 0.56 1.56 0.37 0.00 0.00 175.52 178.53 1rdx h GLN 32 N 0.00 0.00 0.00 6.66 1.08 -1.18 -3.35 115.11 118.32 1rdx h GLN 32 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1rdx h GLN 32 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1rdx h GLN 32 CO 0.08 0.00 0.00 -0.11 -0.95 0.00 0.00 178.83 177.85 1rdx n LEU 33 N -4.12 0.00 0.00 1.46 0.00 -1.21 -4.40 117.00 108.73 1rdx n LEU 33 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.18 1rdx n LEU 33 Cb 0.83 0.00 0.04 0.00 0.00 0.00 0.00 43.42 44.28 1rdx n LEU 33 CO 0.35 0.00 0.16 0.18 0.00 0.00 0.00 177.39 178.09 1rdx n LEU 34 N 0.00 0.00 -0.32 -1.96 4.77 -1.26 -0.63 117.00 117.60 1rdx n LEU 34 Ca 0.00 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1rdx n LEU 34 Cb 0.00 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1rdx n LEU 34 CO 0.00 -0.09 1.17 -1.13 -1.33 0.00 0.00 177.39 176.00 1rdx h ASN 35 N 0.00 1.06 0.17 -1.43 -1.24 -1.77 1.85 115.58 114.21 1rdx h ASN 35 Ca 0.04 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 1rdx h ASN 35 Cb 0.36 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1rdx h ASN 35 CO -0.00 0.84 -0.05 0.28 -1.29 0.00 0.00 177.43 177.21 1rdx h SER 36 N 1.19 0.00 0.32 1.15 0.02 -1.08 0.74 113.55 115.90 1rdx h SER 36 Ca 0.30 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.03 1rdx h SER 36 Cb 0.01 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1rdx h SER 36 CO -0.05 0.05 -1.87 -0.11 -1.14 0.00 0.00 176.83 173.71 1rdx n LEU 37 N -3.69 0.43 0.04 5.07 0.00 0.03 -3.08 117.00 115.80 1rdx n LEU 37 Ca -0.02 0.19 -0.13 0.00 0.00 0.00 0.00 56.01 56.05 1rdx n LEU 37 Cb 0.15 0.22 -0.08 0.00 0.00 0.00 0.00 43.42 43.71 1rdx n LEU 37 CO 0.28 0.27 0.77 0.00 0.00 0.00 0.00 177.39 178.71 1rdx h THR 39 N -0.23 0.00 0.03 0.00 2.02 0.33 0.19 112.91 115.25 1rdx h THR 39 Ca -0.01 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.83 1rdx h THR 39 Cb 0.21 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1rdx h THR 39 CO 0.01 0.00 -2.09 0.00 0.37 0.00 0.00 175.52 173.81 1rdx n ALA 40 N -1.78 1.35 0.13 6.16 0.00 0.76 -2.36 120.51 124.76 1rdx n ALA 40 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 53.44 52.50 1rdx n ALA 40 Cb 0.18 -0.50 0.08 0.00 0.00 0.00 0.00 19.45 19.20 1rdx n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1rdx n VAL 41 N -3.11 1.58 -0.07 0.00 0.31 0.14 -1.20 118.33 115.98 1rdx n VAL 41 Ca -0.30 0.39 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 1rdx n VAL 41 Cb 1.07 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 32.61 1rdx n VAL 41 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1rdx n LYS 42 N -1.45 0.32 0.00 5.55 5.02 -1.18 -4.07 118.16 122.35 1rdx n LYS 42 Ca 0.01 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1rdx n LYS 42 Cb 0.04 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1rdx n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rdx n ALA 43 N -3.60 0.00 0.24 7.82 0.00 -0.34 -0.79 120.51 123.84 1rdx n ALA 43 Ca -0.29 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.28 1rdx n ALA 43 Cb 0.71 0.39 0.37 0.00 0.00 0.00 0.00 19.45 20.92 1rdx n ALA 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1rdx h ILE 44 N 0.00 0.10 -0.76 0.00 3.07 -1.73 -3.20 117.51 114.99 1rdx h ILE 44 Ca 0.00 -0.91 0.14 0.00 1.55 0.00 0.00 64.86 65.64 1rdx h ILE 44 Cb 0.00 1.83 -0.14 0.00 -0.27 0.00 0.00 36.82 38.24 1rdx h ILE 44 CO 0.00 0.05 -0.22 -0.24 -1.05 0.00 0.00 178.15 176.69 1rdx n SER 45 N -3.13 -0.33 0.08 2.16 2.88 0.03 0.11 113.62 115.42 1rdx n SER 45 Ca 0.02 1.31 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 1rdx n SER 45 Cb 0.45 -0.37 0.14 0.00 -0.75 0.00 0.00 64.21 63.68 1rdx n SER 45 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1rdx h THR 46 N 0.00 0.00 -0.90 2.46 1.35 -1.45 -3.37 112.91 111.00 1rdx h THR 46 Ca 0.34 -0.61 0.16 0.00 -0.55 0.00 0.00 66.41 65.75 1rdx h THR 46 Cb 0.53 1.19 -0.07 0.00 -1.73 0.00 0.00 68.15 68.07 1rdx h THR 46 CO -0.78 0.00 0.58 0.00 -0.25 0.00 0.00 175.52 175.08 1rdx h ALA 47 N 2.39 1.92 0.00 6.62 0.00 0.75 -2.26 119.26 128.68 1rdx h ALA 47 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1rdx h ALA 47 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rdx h ALA 47 CO 0.00 -0.18 -0.22 0.28 0.00 0.00 0.00 179.25 179.13 1rdx h VAL 48 N 0.62 0.42 0.00 0.00 2.07 -1.71 1.49 116.25 119.13 1rdx h VAL 48 Ca 0.47 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1rdx h VAL 48 Cb 0.86 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1rdx h VAL 48 CO -0.22 0.21 -0.03 0.03 0.02 0.00 0.00 177.57 177.59 1rdx h ARG 49 N 0.00 0.00 0.00 1.57 2.47 -1.65 -2.96 114.38 113.81 1rdx h ARG 49 Ca -0.00 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.40 1rdx h ARG 49 Cb 1.02 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.28 1rdx h ARG 49 CO 0.03 0.03 -2.19 1.63 0.56 0.00 0.00 179.97 180.03 1rdx n LYS 50 N -4.33 0.85 -0.54 0.04 4.01 -1.01 -4.64 118.16 112.54 1rdx n LYS 50 Ca -0.03 0.07 0.41 0.00 -0.51 0.00 0.00 58.31 58.25 1rdx n LYS 50 Cb 0.12 -1.43 0.64 0.00 -0.51 0.00 0.00 35.03 33.84 1rdx n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rdx n ALA 51 N -2.91 1.47 -0.19 7.82 0.00 0.51 -2.99 120.51 124.22 1rdx n ALA 51 Ca -0.34 0.51 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1rdx n ALA 51 Cb 0.97 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 1rdx n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rdx h GLY 52 N 0.00 -0.66 0.00 0.00 0.00 -1.82 -3.46 103.07 97.13 1rdx h GLY 52 Ca 0.73 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.68 1rdx h GLY 52 CO -0.01 -0.14 0.00 4.51 0.00 0.00 0.00 176.54 180.90 1rdx n ILE 53 N -5.39 0.00 -0.06 2.60 3.06 -1.16 -4.95 119.36 113.45 1rdx n ILE 53 Ca -0.00 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.21 1rdx n ILE 53 Cb 0.34 0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.54 1rdx n ILE 53 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1rdx n ALA 54 N -1.60 3.71 -3.46 1.51 0.00 -1.26 -4.64 120.51 114.77 1rdx n ALA 54 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 1rdx n ALA 54 Cb 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 1rdx n ALA 54 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rdx s HIS 55 N -0.42 -0.26 0.00 0.00 3.76 -1.26 -4.86 115.29 112.24 1rdx s HIS 55 Ca 0.07 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1rdx s HIS 55 Cb 0.06 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.27 1rdx s HIS 55 CO 0.00 -0.77 0.00 -0.11 -0.85 0.00 0.00 174.74 173.02 1rdx n LEU 56 N 5.31 0.00 -4.71 0.89 0.00 -1.18 -4.25 117.00 113.05 1rdx n LEU 56 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.55 1rdx n LEU 56 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.86 1rdx n LEU 56 CO 0.04 0.00 1.02 -0.31 0.00 0.00 0.00 177.39 178.14 1rdx s TYR 57 N 0.00 3.28 0.00 1.96 2.02 -1.26 -3.33 117.35 120.02 1rdx s TYR 57 Ca 0.00 1.04 0.00 0.00 -0.37 0.00 0.00 57.07 57.74 1rdx s TYR 57 Cb 0.00 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.95 1rdx s TYR 57 CO 0.00 -2.08 0.00 0.41 -1.57 0.00 0.00 175.55 172.31 1rdx n GLY 58 N 3.43 1.12 2.23 0.71 0.00 -1.26 -4.60 105.19 106.81 1rdx n GLY 58 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1rdx n GLY 58 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rdx n ILE 59 N 0.00 2.82 0.00 -0.61 0.13 -1.25 -1.64 119.36 118.80 1rdx n ILE 59 Ca 0.00 -1.54 0.00 0.00 -1.10 0.00 0.00 62.75 60.11 1rdx n ILE 59 Cb 0.00 -2.09 0.00 0.00 -0.84 0.00 0.00 39.64 36.71 1rdx n ILE 59 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1rdx n ALA 60 N 3.07 0.00 -2.42 1.51 0.00 -1.21 -3.12 120.51 118.35 1rdx n ALA 60 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 1rdx n ALA 60 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1rdx n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdx n GLY 61 N 0.00 0.51 3.42 0.00 0.00 -0.65 -5.02 105.19 103.45 1rdx n GLY 61 Ca 0.00 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1rdx n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rdx s SER 62 N -3.13 6.21 -0.44 1.61 0.15 -1.23 -4.89 113.70 111.98 1rdx s SER 62 Ca 0.04 -1.12 0.05 0.00 0.70 0.00 0.00 55.95 55.62 1rdx s SER 62 Cb -0.02 -2.32 0.18 0.00 -1.71 0.00 0.00 66.02 62.15 1rdx s SER 62 CO 0.11 -1.06 0.46 0.42 1.20 0.00 0.00 173.24 174.37 1rdx s THR 63 N 2.86 -0.11 -0.39 6.45 -4.23 -1.26 -4.27 115.64 114.69 1rdx s THR 63 Ca 0.15 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1rdx s THR 63 Cb -0.21 -0.84 0.39 0.00 1.34 0.00 0.00 72.50 73.19 1rdx s THR 63 CO 0.10 -0.83 1.24 -3.20 -0.54 0.00 0.00 174.62 171.39 1rdx n ASN 64 N 2.94 -1.26 -2.07 3.99 4.05 -1.26 -5.10 115.26 116.55 1rdx n ASN 64 Ca 0.25 -2.65 -0.12 0.00 0.45 0.00 0.00 54.58 52.51 1rdx n ASN 64 Cb 0.50 0.78 -0.10 0.00 1.23 0.00 0.00 39.78 42.20 1rdx n ASN 64 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1rdx n VAL 65 N -0.38 0.00 -4.74 3.44 0.31 -1.26 -4.90 118.33 110.81 1rdx n VAL 65 Ca 0.01 -0.18 -0.33 0.00 -0.01 0.00 0.00 64.34 63.82 1rdx n VAL 65 Cb 0.82 -0.05 -0.13 0.00 -0.91 0.00 0.00 33.84 33.58 1rdx n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1rdx s THR 66 N 0.85 3.36 0.00 2.52 2.01 -1.26 -5.05 115.64 118.07 1rdx s THR 66 Ca 0.61 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1rdx s THR 66 Cb -0.43 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1rdx s THR 66 CO 0.25 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1rdx n GLY 67 N 2.59 -1.62 0.37 4.40 0.00 -1.26 -4.59 105.19 105.08 1rdx n GLY 67 Ca -0.18 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 1rdx n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rdx n ASP 68 N 0.00 1.96 0.00 1.61 8.00 -1.26 -4.99 116.55 121.87 1rdx n ASP 68 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1rdx n ASP 68 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1rdx n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rdx n GLN 69 N -3.14 0.00 0.00 -1.24 10.64 -1.26 -5.03 117.38 117.34 1rdx n GLN 69 Ca -0.19 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.02 1rdx n GLN 69 Cb 0.67 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 30.03 1rdx n GLN 69 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1rdx n VAL 70 N 0.00 0.00 0.00 -0.39 0.31 -1.26 -5.08 118.33 111.91 1rdx n VAL 70 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1rdx n VAL 70 Cb 0.00 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 1rdx n VAL 70 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1rdx n LYS 71 N -0.59 -0.84 0.02 5.55 4.81 -1.26 -5.08 118.16 120.77 1rdx n LYS 71 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1rdx n LYS 71 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1rdx n LYS 71 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1rdx n LYS 72 N -0.04 0.00 -0.13 1.64 3.00 -1.26 -4.65 118.16 116.72 1rdx n LYS 72 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1rdx n LYS 72 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1rdx n LYS 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1rdx h LEU 73 N 0.00 -0.38 -0.62 3.14 5.85 -1.97 0.71 115.31 122.05 1rdx h LEU 73 Ca 0.00 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.97 1rdx h LEU 73 Cb 0.00 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 1rdx h LEU 73 CO 0.00 -0.13 0.02 -0.78 -0.34 0.00 0.00 178.44 177.21 1rdx h ASP 74 N 0.01 -0.23 0.23 1.25 3.58 -1.99 1.05 116.42 120.32 1rdx h ASP 74 Ca 0.21 0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.67 1rdx h ASP 74 Cb 0.32 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1rdx h ASP 74 CO -0.44 -0.10 -0.54 0.58 -2.88 0.00 0.00 179.24 175.87 1rdx h VAL 75 N 0.14 1.35 -0.07 2.25 2.07 -1.39 -2.65 116.25 117.94 1rdx h VAL 75 Ca 0.32 -1.82 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 1rdx h VAL 75 Cb 0.52 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1rdx h VAL 75 CO -0.51 0.55 -0.38 -0.07 0.02 0.00 0.00 177.57 177.18 1rdx h LEU 76 N 0.26 0.15 0.00 2.57 3.38 0.41 1.06 115.31 123.14 1rdx h LEU 76 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rdx h LEU 76 Cb 1.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1rdx h LEU 76 CO 0.09 0.52 0.00 -0.24 0.09 0.00 0.00 178.44 178.90 1rdx n SER 77 N -4.06 0.00 0.26 -0.43 2.88 0.32 -1.92 113.62 110.66 1rdx n SER 77 Ca -0.01 0.61 0.17 0.00 -1.33 0.00 0.00 58.87 58.30 1rdx n SER 77 Cb 0.44 -0.11 0.81 0.00 -0.75 0.00 0.00 64.21 64.60 1rdx n SER 77 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1rdx h ASN 78 N 0.00 0.00 0.06 -3.46 -1.24 -1.50 -1.24 115.58 108.21 1rdx h ASN 78 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1rdx h ASN 78 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1rdx h ASN 78 CO 0.00 0.00 -0.03 0.44 -1.29 0.00 0.00 177.43 176.55 1rdx h ASP 79 N 0.00 0.00 0.00 1.15 3.32 0.19 -0.11 116.42 120.97 1rdx h ASP 79 Ca 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1rdx h ASP 79 Cb 0.75 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1rdx h ASP 79 CO -0.00 0.03 -1.86 -0.11 -1.72 0.00 0.00 179.24 175.58 1rdx n LEU 80 N -4.02 0.00 0.00 1.55 7.94 -0.55 -4.38 117.00 117.53 1rdx n LEU 80 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1rdx n LEU 80 Cb 0.12 0.22 0.02 0.00 0.53 0.00 0.00 43.42 44.30 1rdx n LEU 80 CO 0.30 0.22 0.20 0.52 -1.11 0.00 0.00 177.39 177.51 1rdx n VAL 81 N -2.34 0.00 0.00 1.96 0.31 -0.65 -1.83 118.33 115.79 1rdx n VAL 81 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1rdx n VAL 81 Cb 0.75 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1rdx n VAL 81 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1rdx n ILE 82 N -0.52 0.00 0.24 2.52 -5.35 -0.14 -4.55 119.36 111.54 1rdx n ILE 82 Ca 0.00 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.65 1rdx n ILE 82 Cb 0.00 -0.78 0.75 0.00 -1.74 0.00 0.00 39.64 37.87 1rdx n ILE 82 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1rdx h ASN 83 N 0.00 0.00 -1.00 7.28 -1.07 -1.80 0.75 115.58 119.74 1rdx h ASN 83 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 56.30 56.49 1rdx h ASN 83 Cb 0.00 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.16 1rdx h ASN 83 CO 0.00 0.00 0.63 -0.37 0.07 0.00 0.00 177.43 177.76 1rdx h VAL 84 N 0.00 0.91 -0.71 6.14 -1.51 -1.63 0.79 116.25 120.24 1rdx h VAL 84 Ca 0.08 -0.33 -0.05 0.00 -1.23 0.00 0.00 66.70 65.17 1rdx h VAL 84 Cb 0.91 -0.16 -0.03 0.00 -2.13 0.00 0.00 31.29 29.88 1rdx h VAL 84 CO -0.00 0.18 0.25 -0.07 -1.23 0.00 0.00 177.57 176.70 1rdx h LEU 85 N 0.98 0.99 -0.93 4.19 3.38 0.29 -0.82 115.31 123.38 1rdx h LEU 85 Ca 0.50 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1rdx h LEU 85 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rdx h LEU 85 CO -0.27 0.90 -0.46 0.11 0.09 0.00 0.00 178.44 178.81 1rdx h LYS 86 N 1.04 0.17 0.00 1.13 6.56 0.27 -2.66 116.57 123.08 1rdx h LYS 86 Ca 0.23 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1rdx h LYS 86 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1rdx h LYS 86 CO -0.01 0.60 0.00 0.43 -2.06 0.00 0.00 179.45 178.40 1rdx n SER 87 N -3.98 0.26 0.05 0.86 7.64 0.19 -0.82 113.62 117.83 1rdx n SER 87 Ca -0.02 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.59 1rdx n SER 87 Cb 0.51 -0.65 0.31 0.00 -1.01 0.00 0.00 64.21 63.37 1rdx n SER 87 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rdx n SER 88 N -1.83 0.58 0.00 6.43 3.41 -1.00 -4.93 113.62 116.27 1rdx n SER 88 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1rdx n SER 88 Cb 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1rdx n SER 88 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1rdx n PHE 89 N -1.93 0.00 -0.01 7.33 -0.00 0.00 -4.69 117.46 118.17 1rdx n PHE 89 Ca 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.52 1rdx n PHE 89 Cb 0.40 -1.04 0.05 0.00 -0.00 0.00 0.00 39.48 38.89 1rdx n PHE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1rdx n ALA 90 N 0.92 2.17 -2.21 3.13 0.00 -1.25 -2.03 120.51 121.24 1rdx n ALA 90 Ca 0.00 -0.92 -0.41 0.00 0.00 0.00 0.00 53.44 52.10 1rdx n ALA 90 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1rdx n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rdx s THR 91 N -0.84 3.83 0.00 0.00 -4.23 -0.86 -0.45 115.64 113.09 1rdx s THR 91 Ca 0.08 1.45 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 1rdx s THR 91 Cb 0.04 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1rdx s THR 91 CO 0.06 0.19 0.00 0.00 -0.54 0.00 0.00 174.62 174.32 1rdx s VAL 93 N -0.20 2.99 -0.81 0.00 1.01 -1.26 -1.96 120.40 120.17 1rdx s VAL 93 Ca 0.00 -2.60 -0.25 0.00 0.00 0.00 0.00 61.98 59.12 1rdx s VAL 93 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1rdx s VAL 93 CO 0.00 -0.73 1.56 -0.76 0.00 0.00 0.00 175.10 175.17 1rdx s LEU 94 N 0.51 3.28 -0.22 3.92 1.43 -1.20 -2.86 118.68 123.53 1rdx s LEU 94 Ca 0.13 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 1rdx s LEU 94 Cb -0.22 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1rdx s LEU 94 CO -0.04 -2.02 0.84 -0.69 0.23 0.00 0.00 176.35 174.67 1rdx s VAL 95 N 6.98 4.84 -0.18 -1.59 1.01 0.80 -2.99 120.40 129.28 1rdx s VAL 95 Ca 0.51 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 64.02 1rdx s VAL 95 Cb -0.07 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.26 1rdx s VAL 95 CO 0.07 -0.05 0.38 -0.89 0.00 0.00 0.00 175.10 174.62 1rdx s THR 96 N 2.63 -0.49 0.26 3.92 2.01 -1.26 -2.23 115.64 120.48 1rdx s THR 96 Ca 0.36 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1rdx s THR 96 Cb -0.16 -0.61 0.23 0.00 0.01 0.00 0.00 72.50 71.98 1rdx s THR 96 CO 0.09 0.07 1.77 1.05 -0.69 0.00 0.00 174.62 176.91 1rdx h GLU 97 N 8.00 0.63 -1.00 4.92 -0.00 -1.93 -1.44 114.58 123.77 1rdx h GLU 97 Ca -0.19 -0.04 0.39 0.00 -0.00 0.00 0.00 59.36 59.52 1rdx h GLU 97 Cb 1.12 -0.14 -0.18 0.00 -0.00 0.00 0.00 28.75 29.55 1rdx h GLU 97 CO 0.16 0.42 0.45 0.93 -0.00 0.00 0.00 179.01 180.97 1rdx h GLU 98 N 0.65 0.00 -5.61 1.06 3.07 -1.94 -3.36 114.58 108.45 1rdx h GLU 98 Ca 0.44 -0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.64 1rdx h GLU 98 Cb 0.58 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.41 1rdx h GLU 98 CO -0.33 0.00 -0.48 0.34 -1.40 0.00 0.00 179.01 177.14 1rdx s ASP 99 N -4.61 6.38 0.33 1.42 2.15 -0.54 -4.97 116.67 116.82 1rdx s ASP 99 Ca -0.10 0.46 0.10 0.00 0.43 0.00 0.00 52.55 53.44 1rdx s ASP 99 Cb 0.33 -2.07 0.97 0.00 -0.30 0.00 0.00 42.92 41.85 1rdx s ASP 99 CO 0.78 0.39 1.62 0.11 -0.17 0.00 0.00 175.17 177.90 1rdx h LYS 100 N 5.12 0.14 -4.88 4.34 1.57 -1.82 -3.41 116.57 117.63 1rdx h LYS 100 Ca -0.54 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 57.88 1rdx h LYS 100 Cb 1.22 -0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 1rdx h LYS 100 CO 0.60 0.09 -0.61 0.54 -0.57 0.00 0.00 179.45 179.50 1rdx s ASN 101 N -4.89 1.19 0.00 0.86 4.22 -1.26 -4.75 114.94 110.31 1rdx s ASN 101 Ca -0.11 -1.39 0.00 0.00 -2.14 0.00 0.00 52.86 49.22 1rdx s ASN 101 Cb 0.30 0.17 0.00 0.00 1.28 0.00 0.00 41.25 43.00 1rdx s ASN 101 CO 0.78 -0.74 0.00 0.00 -2.04 0.00 0.00 177.10 175.10 1rdx n ALA 102 N -0.47 0.00 -3.68 3.54 0.00 -1.26 -4.78 120.51 113.87 1rdx n ALA 102 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1rdx n ALA 102 Cb 0.66 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.96 1rdx n ALA 102 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rdx s ILE 103 N 0.00 -0.26 -0.05 0.00 1.09 -1.16 -4.97 121.20 115.86 1rdx s ILE 103 Ca 0.00 0.31 -0.30 0.00 -1.10 0.00 0.00 60.65 59.56 1rdx s ILE 103 Cb 0.00 -0.33 -0.03 0.00 -1.06 0.00 0.00 42.46 41.05 1rdx s ILE 103 CO 0.00 0.13 1.05 -0.63 -0.10 0.00 0.00 174.94 175.39 1rdx s ILE 104 N 2.14 4.65 0.32 2.92 1.09 -1.26 -3.27 121.20 127.78 1rdx s ILE 104 Ca 0.01 1.92 -0.29 0.00 -1.10 0.00 0.00 60.65 61.19 1rdx s ILE 104 Cb -0.12 -4.23 -0.10 0.00 -1.06 0.00 0.00 42.46 36.95 1rdx s ILE 104 CO -0.07 0.07 1.21 -0.69 -0.10 0.00 0.00 174.94 175.36 1rdx s VAL 105 N 1.62 3.08 0.55 2.92 1.01 -0.83 -5.02 120.40 123.72 1rdx s VAL 105 Ca 0.52 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 1rdx s VAL 105 Cb -0.21 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1rdx s VAL 105 CO 0.23 0.24 1.25 -1.61 0.00 0.00 0.00 175.10 175.22 1rdx s GLU 106 N -1.69 3.21 0.28 2.72 8.01 -1.26 -4.90 118.70 125.06 1rdx s GLU 106 Ca 0.48 1.96 0.16 0.00 0.01 0.00 0.00 54.97 57.58 1rdx s GLU 106 Cb -0.36 -2.16 1.02 0.00 -4.31 0.00 0.00 34.13 28.33 1rdx s GLU 106 CO 0.47 -1.05 1.22 -2.30 0.01 0.00 0.00 175.26 173.60 1rdx n PRO 107 N -1.13 -0.05 0.00 0.39 -0.02 -1.26 -2.89 135.00 130.04 1rdx n PRO 107 Ca 0.11 1.07 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1rdx n PRO 107 Cb 0.48 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1rdx n PRO 107 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rdx n GLU 108 N -4.76 0.00 -0.89 -0.52 1.02 -1.26 -4.05 120.64 110.17 1rdx n GLU 108 Ca 0.29 0.40 -0.15 0.00 -0.02 0.00 0.00 57.16 57.68 1rdx n GLU 108 Cb 0.98 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 31.02 1rdx n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rdx n LYS 109 N -1.70 1.97 -5.06 3.49 4.01 -1.14 -4.86 118.16 114.87 1rdx n LYS 109 Ca 0.00 -1.06 -0.32 0.00 -0.51 0.00 0.00 58.31 56.42 1rdx n LYS 109 Cb 0.00 -2.07 -0.15 0.00 -0.51 0.00 0.00 35.03 32.30 1rdx n LYS 109 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1rdx s ARG 110 N 1.58 2.50 0.00 1.97 3.52 -0.86 -2.03 118.95 125.62 1rdx s ARG 110 Ca 0.57 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1rdx s ARG 110 Cb 0.25 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.36 1rdx s ARG 110 CO -0.01 0.52 0.00 0.41 -0.81 0.00 0.00 175.30 175.41 1rdx n GLY 111 N 2.59 2.74 2.69 8.12 0.00 0.41 -4.55 105.19 117.18 1rdx n GLY 111 Ca -0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1rdx n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rdx n LYS 112 N 0.00 1.35 -3.43 1.61 2.85 -1.25 -4.81 118.16 114.49 1rdx n LYS 112 Ca 0.00 -1.58 -0.24 0.00 -1.05 0.00 0.00 58.31 55.43 1rdx n LYS 112 Cb 0.00 0.12 -0.11 0.00 -0.65 0.00 0.00 35.03 34.39 1rdx n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1rdx s TYR 113 N -0.25 0.27 -0.64 5.58 2.02 -1.26 -3.19 117.35 119.89 1rdx s TYR 113 Ca 0.14 -1.21 -0.27 0.00 -0.37 0.00 0.00 57.07 55.36 1rdx s TYR 113 Cb 0.43 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1rdx s TYR 113 CO -0.11 -0.88 1.38 0.14 -1.57 0.00 0.00 175.55 174.51 1rdx s VAL 114 N 1.36 3.74 -0.27 0.71 -7.23 -0.61 -4.09 120.40 114.00 1rdx s VAL 114 Ca 0.16 0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 60.59 1rdx s VAL 114 Cb -0.19 -4.61 0.01 0.00 0.56 0.00 0.00 36.38 32.14 1rdx s VAL 114 CO -0.06 -1.44 1.11 -0.69 -0.31 0.00 0.00 175.10 173.71 1rdx s VAL 115 N 6.13 4.51 -0.48 1.32 1.01 -1.14 -3.02 120.40 128.74 1rdx s VAL 115 Ca 0.46 1.78 0.01 0.00 0.00 0.00 0.00 61.98 64.23 1rdx s VAL 115 Cb -0.09 -4.31 0.13 0.00 0.00 0.00 0.00 36.38 32.11 1rdx s VAL 115 CO 0.21 -0.34 0.24 0.00 0.00 0.00 0.00 175.10 175.21 1rdx s PHE 117 N 0.33 1.57 -0.38 0.00 -0.12 -0.94 -0.86 117.98 117.57 1rdx s PHE 117 Ca 0.14 -0.59 -0.14 0.00 -0.05 0.00 0.00 56.93 56.29 1rdx s PHE 117 Cb -0.22 -0.77 0.00 0.00 -0.63 0.00 0.00 43.02 41.40 1rdx s PHE 117 CO -0.04 0.26 0.30 0.34 -0.05 0.00 0.00 175.22 176.03 1rdx s ASP 118 N -3.00 6.11 0.00 1.98 2.15 -1.22 -4.27 116.67 118.43 1rdx s ASP 118 Ca 0.17 -0.64 0.13 0.00 0.43 0.00 0.00 52.55 52.65 1rdx s ASP 118 Cb -0.02 -2.16 0.77 0.00 -0.30 0.00 0.00 42.92 41.21 1rdx s ASP 118 CO 0.05 -0.38 1.19 -0.81 -0.17 0.00 0.00 175.17 175.05 1rdx n PRO 119 N 5.21 0.45 -3.19 4.34 -0.04 -1.26 -3.04 135.00 137.47 1rdx n PRO 119 Ca -0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 1rdx n PRO 119 Cb 0.48 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1rdx n PRO 119 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1rdx s LEU 120 N -1.89 -0.36 -1.12 1.53 2.96 -1.26 -4.63 118.68 113.91 1rdx s LEU 120 Ca 0.19 0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 54.21 1rdx s LEU 120 Cb 0.09 1.33 -0.06 0.00 0.50 0.00 0.00 46.19 48.05 1rdx s LEU 120 CO 0.15 -0.07 1.99 -0.67 -1.32 0.00 0.00 176.35 176.43 1rdx n ASP 121 N 5.26 3.35 -3.34 3.68 2.03 -1.26 -4.55 116.55 121.72 1rdx n ASP 121 Ca -0.08 -2.76 -0.17 0.00 0.52 0.00 0.00 54.79 52.30 1rdx n ASP 121 Cb 0.54 -1.47 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 1rdx n ASP 121 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rdx n GLY 122 N 4.75 -0.10 0.35 0.27 0.00 -1.26 -4.78 105.19 104.43 1rdx n GLY 122 Ca 0.49 0.08 0.33 0.00 0.00 0.00 0.00 46.02 46.92 1rdx n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rdx n SER 123 N -1.22 0.30 0.00 1.61 3.41 -1.26 -4.16 113.62 112.29 1rdx n SER 123 Ca -0.11 1.52 0.00 0.00 -0.26 0.00 0.00 58.87 60.02 1rdx n SER 123 Cb 0.33 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1rdx n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rdx n SER 124 N -5.01 0.00 -3.12 4.04 7.64 -1.26 -1.06 113.62 114.84 1rdx n SER 124 Ca 0.37 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.97 1rdx n SER 124 Cb 1.32 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.49 1rdx n SER 124 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rdx n ASN 125 N 0.00 6.66 0.08 6.43 5.15 -1.26 -4.35 115.26 127.97 1rdx n ASN 125 Ca 0.00 -2.43 0.13 0.00 -0.60 0.00 0.00 54.58 51.67 1rdx n ASN 125 Cb 0.00 -1.32 0.46 0.00 -0.53 0.00 0.00 39.78 38.39 1rdx n ASN 125 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1rdx n ILE 126 N 3.74 0.55 -1.75 -1.44 5.41 -0.22 -4.46 119.36 121.18 1rdx n ILE 126 Ca 0.59 -0.08 -0.40 0.00 1.00 0.00 0.00 62.75 63.86 1rdx n ILE 126 Cb 0.24 -0.71 -0.03 0.00 -0.71 0.00 0.00 39.64 38.43 1rdx n ILE 126 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1rdx n ASP 127 N -2.04 3.50 0.00 4.38 9.92 -1.26 -2.29 116.55 128.75 1rdx n ASP 127 Ca 0.05 -2.78 0.00 0.00 -0.53 0.00 0.00 54.79 51.53 1rdx n ASP 127 Cb 0.35 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 1rdx n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdx n LEU 129 N 0.00 -3.30 -4.76 0.00 4.77 -0.97 -5.02 117.00 107.72 1rdx n LEU 129 Ca 0.00 -0.46 -0.30 0.00 -0.03 0.00 0.00 56.01 55.23 1rdx n LEU 129 Cb 0.00 -2.57 0.20 0.00 -2.33 0.00 0.00 43.42 38.71 1rdx n LEU 129 CO 0.00 0.46 0.74 0.54 -1.33 0.00 0.00 177.39 177.79 1rdx s VAL 130 N -3.27 1.84 -0.88 4.08 0.11 -1.26 -4.94 120.40 116.07 1rdx s VAL 130 Ca 0.32 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 1rdx s VAL 130 Cb -0.14 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 1rdx s VAL 130 CO 0.59 0.00 1.65 -0.44 -3.33 0.00 0.00 175.10 173.57 1rdx s SER 131 N -4.29 5.82 0.17 3.54 0.01 -1.26 -4.92 113.70 112.78 1rdx s SER 131 Ca 0.70 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1rdx s SER 131 Cb -0.09 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1rdx s SER 131 CO 0.54 -2.09 0.06 0.27 0.41 0.00 0.00 173.24 172.43 1rdx s ILE 132 N 7.37 0.31 0.00 1.44 -4.36 -1.25 -3.67 121.20 121.04 1rdx s ILE 132 Ca 0.55 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1rdx s ILE 132 Cb -0.05 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1rdx s ILE 132 CO 0.01 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.49 1rdx n GLY 133 N -0.22 1.66 3.97 6.27 0.00 -1.20 -2.10 105.19 113.57 1rdx n GLY 133 Ca -0.04 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1rdx n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rdx s THR 134 N 0.74 2.64 0.02 2.61 2.01 0.15 -4.29 115.64 119.52 1rdx s THR 134 Ca 0.00 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1rdx s THR 134 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1rdx s THR 134 CO 0.00 -0.00 0.21 -0.63 -0.69 0.00 0.00 174.62 173.50 1rdx s ILE 135 N -2.80 0.09 0.21 1.82 1.09 -1.17 -0.21 121.20 120.24 1rdx s ILE 135 Ca 0.58 -0.77 -0.18 0.00 -1.10 0.00 0.00 60.65 59.17 1rdx s ILE 135 Cb -0.10 -0.77 0.07 0.00 -1.06 0.00 0.00 42.46 40.60 1rdx s ILE 135 CO 0.39 -0.43 0.90 2.22 -0.10 0.00 0.00 174.94 177.92 1rdx n PHE 136 N 0.93 -1.50 -3.61 3.97 1.16 1.19 -3.37 117.46 116.23 1rdx n PHE 136 Ca -0.20 -1.29 -0.02 0.00 -1.87 0.00 0.00 57.45 54.07 1rdx n PHE 136 Cb 0.58 0.63 -0.01 0.00 -1.61 0.00 0.00 39.48 39.06 1rdx n PHE 136 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1rdx s GLY 137 N -3.23 -0.34 -0.14 4.97 0.00 -0.04 -1.40 107.32 107.13 1rdx s GLY 137 Ca 0.20 1.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.83 1rdx s GLY 137 CO 0.06 0.36 1.00 -0.26 0.00 0.00 0.00 173.10 174.26 1rdx s ILE 138 N -2.43 0.00 0.07 0.90 -4.36 -1.19 -0.25 121.20 113.94 1rdx s ILE 138 Ca 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.56 1rdx s ILE 138 Cb 0.01 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.70 1rdx s ILE 138 CO -0.04 0.00 -0.14 -0.31 0.24 0.00 0.00 174.94 174.68 1rdx s TYR 139 N -1.43 1.23 -0.05 1.37 2.02 -1.17 -3.80 117.35 115.52 1rdx s TYR 139 Ca -0.00 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1rdx s TYR 139 Cb -0.01 -0.70 -0.06 0.00 -0.40 0.00 0.00 41.96 40.79 1rdx s TYR 139 CO -0.00 0.06 2.53 -2.13 -1.57 0.00 0.00 175.55 174.43 1rdx n ARG 140 N 1.39 1.43 -1.72 -0.62 0.63 -1.26 -1.58 116.66 114.93 1rdx n ARG 140 Ca -0.21 -0.54 0.00 0.00 -0.92 0.00 0.00 57.85 56.19 1rdx n ARG 140 Cb 0.54 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 32.05 1rdx n ARG 140 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1rdx n LYS 141 N 1.68 -0.71 -0.04 -0.14 3.00 -1.19 -4.82 118.16 115.94 1rdx n LYS 141 Ca 0.18 0.67 -0.12 0.00 -0.00 0.00 0.00 58.31 59.04 1rdx n LYS 141 Cb 0.64 -0.46 -0.06 0.00 0.00 0.00 0.00 35.03 35.15 1rdx n LYS 141 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1rdx h ASN 142 N 3.73 0.21 0.00 3.14 4.21 -1.93 -3.45 115.58 121.49 1rdx h ASN 142 Ca 0.00 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1rdx h ASN 142 Cb 0.00 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 1rdx h ASN 142 CO 0.00 0.43 0.00 -1.20 -1.29 0.00 0.00 177.43 175.37 1rdx n SER 143 N -4.81 0.00 0.00 5.81 7.64 -1.26 -5.08 113.62 115.92 1rdx n SER 143 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1rdx n SER 143 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1rdx n SER 143 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rdx n THR 144 N 0.00 0.00 -0.47 0.44 -2.24 -1.26 -5.16 114.28 105.59 1rdx n THR 144 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1rdx n THR 144 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1rdx n THR 144 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rdx n ASP 145 N -2.06 -2.00 -4.31 3.42 5.68 -1.26 -4.52 116.55 111.51 1rdx n ASP 145 Ca 0.00 0.04 -0.55 0.00 -0.50 0.00 0.00 54.79 53.77 1rdx n ASP 145 Cb 0.00 -0.28 -0.13 0.00 -1.14 0.00 0.00 41.12 39.57 1rdx n ASP 145 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1rdx n GLU 146 N 1.17 0.02 -1.90 0.11 0.00 -1.26 -4.77 120.64 114.00 1rdx n GLU 146 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1rdx n GLU 146 Cb 0.32 -1.52 -0.03 0.00 0.00 0.00 0.00 31.44 30.21 1rdx n GLU 146 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1rdx s PRO 147 N 6.71 3.41 0.12 5.31 0.02 -1.26 -5.00 135.00 144.30 1rdx s PRO 147 Ca 1.24 1.70 -0.00 0.00 0.02 0.00 0.00 61.00 63.95 1rdx s PRO 147 Cb -1.43 -4.21 0.02 0.00 0.02 0.00 0.00 34.50 28.90 1rdx s PRO 147 CO 0.62 -1.77 0.16 0.43 -0.33 0.00 0.00 177.00 176.11 1rdx n SER 148 N 10.17 0.22 -0.33 2.53 7.64 -1.26 -4.77 113.62 127.82 1rdx n SER 148 Ca 0.24 -1.18 0.17 0.00 1.01 0.00 0.00 58.87 59.10 1rdx n SER 148 Cb 0.46 -0.11 0.40 0.00 -1.01 0.00 0.00 64.21 63.95 1rdx n SER 148 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1rdx h GLU 149 N 0.00 0.59 0.00 1.43 4.11 -1.94 -3.40 114.58 115.37 1rdx h GLU 149 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1rdx h GLU 149 Cb 0.20 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1rdx h GLU 149 CO 0.06 0.39 0.00 1.63 0.07 0.00 0.00 179.01 181.16 1rdx n LYS 150 N -4.72 0.00 0.02 1.06 4.01 -1.26 -3.37 118.16 113.90 1rdx n LYS 150 Ca 0.24 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1rdx n LYS 150 Cb 0.68 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.20 1rdx n LYS 150 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1rdx n ASP 151 N 0.00 0.00 0.00 4.39 9.92 -1.26 -1.07 116.55 128.53 1rdx n ASP 151 Ca 0.00 0.03 0.03 0.00 -0.53 0.00 0.00 54.79 54.32 1rdx n ASP 151 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1rdx n ASP 151 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdx n ALA 152 N -0.46 2.37 -2.07 2.24 0.00 -1.22 -3.39 120.51 117.98 1rdx n ALA 152 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 1rdx n ALA 152 Cb 0.08 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.48 1rdx n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1rdx n LEU 153 N -0.60 7.46 -4.13 0.00 0.00 -0.24 -4.93 117.00 114.57 1rdx n LEU 153 Ca 0.04 -4.96 -0.26 0.00 0.00 0.00 0.00 56.01 50.83 1rdx n LEU 153 Cb 0.02 -1.08 -0.16 0.00 0.00 0.00 0.00 43.42 42.20 1rdx n LEU 153 CO 0.03 1.83 -0.50 -1.10 0.00 0.00 0.00 177.39 177.65 1rdx s GLN 154 N -4.12 1.79 0.71 1.96 -0.21 -1.22 -4.50 119.66 114.08 1rdx s GLN 154 Ca 0.49 -0.59 -0.16 0.00 0.02 0.00 0.00 55.36 55.12 1rdx s GLN 154 Cb 0.39 -1.54 0.02 0.00 1.00 0.00 0.00 33.01 32.88 1rdx s GLN 154 CO -0.36 0.22 1.26 -2.30 -2.12 0.00 0.00 175.29 171.99 1rdx n PRO 155 N 3.21 0.77 0.27 2.91 -0.02 -1.26 -4.85 135.00 136.02 1rdx n PRO 155 Ca -0.18 0.33 0.15 0.00 -2.02 0.00 0.00 63.50 61.77 1rdx n PRO 155 Cb 0.53 -2.50 0.72 0.00 -0.02 0.00 0.00 33.50 32.23 1rdx n PRO 155 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1rdx h GLY 156 N -0.00 0.00 2.00 -1.23 0.00 -1.85 -1.65 103.07 100.33 1rdx h GLY 156 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1rdx h GLY 156 CO 0.50 0.00 0.00 3.21 0.00 0.00 0.00 176.54 180.25 1rdx h ARG 157 N 0.00 0.00 0.00 4.80 2.47 -1.85 -1.49 114.38 118.30 1rdx h ARG 157 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1rdx h ARG 157 Cb 0.43 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.70 1rdx h ARG 157 CO 0.01 0.00 -0.45 0.09 0.56 0.00 0.00 179.97 180.19 1rdx n ASN 158 N -3.09 1.69 -3.95 7.04 3.02 -0.70 -4.93 115.26 114.34 1rdx n ASN 158 Ca -0.00 -3.37 -0.30 0.00 -0.03 0.00 0.00 54.58 50.88 1rdx n ASN 158 Cb 0.25 -0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.80 1rdx n ASN 158 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1rdx s LEU 159 N -2.57 2.36 0.00 3.41 0.20 -0.56 -4.80 118.68 116.72 1rdx s LEU 159 Ca 0.34 -1.02 0.26 0.00 0.69 0.00 0.00 54.13 54.40 1rdx s LEU 159 Cb 0.33 -1.17 1.32 0.00 -0.43 0.00 0.00 46.19 46.24 1rdx s LEU 159 CO -0.05 -0.20 1.87 1.33 -0.29 0.00 0.00 176.35 179.01 1rdx n VAL 160 N 4.70 0.03 -2.79 1.68 0.24 -1.25 -4.73 118.33 116.21 1rdx n VAL 160 Ca -0.13 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.05 1rdx n VAL 160 Cb 0.45 -0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.76 1rdx n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rdx s ALA 161 N -1.97 -3.94 -0.12 2.33 0.00 -1.26 -0.73 121.76 116.08 1rdx s ALA 161 Ca 0.38 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 1rdx s ALA 161 Cb 0.19 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1rdx s ALA 161 CO 0.30 -2.44 0.05 0.00 0.00 0.00 0.00 175.76 173.67 1rdx s ALA 162 N 1.49 3.45 0.27 0.00 0.00 -1.26 -3.16 121.76 122.55 1rdx s ALA 162 Ca 0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1rdx s ALA 162 Cb 0.05 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1rdx s ALA 162 CO -0.11 0.50 0.71 0.20 0.00 0.00 0.00 175.76 177.06 1rdx s GLY 163 N -0.62 -0.13 0.00 0.00 0.00 -0.49 -4.38 107.32 101.70 1rdx s GLY 163 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1rdx s GLY 163 CO 0.02 -0.07 0.00 1.58 0.00 0.00 0.00 173.10 174.63 1rdx n TYR 164 N -0.45 0.00 0.00 1.90 4.11 -1.26 0.37 117.16 121.83 1rdx n TYR 164 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 1rdx n TYR 164 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 1rdx n TYR 164 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1rdx n ALA 165 N -3.00 0.00 -2.81 -3.48 0.00 0.71 -4.24 120.51 107.69 1rdx n ALA 165 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1rdx n ALA 165 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1rdx n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rdx s LEU 166 N 0.00 4.26 -0.63 0.00 2.96 -1.26 0.32 118.68 124.33 1rdx s LEU 166 Ca 0.00 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1rdx s LEU 166 Cb 0.00 -2.03 0.16 0.00 0.50 0.00 0.00 46.19 44.83 1rdx s LEU 166 CO 0.00 -0.23 0.49 -0.31 -1.32 0.00 0.00 176.35 174.99 1rdx s TYR 167 N 1.62 3.51 0.00 5.38 2.02 -0.89 -1.78 117.35 127.22 1rdx s TYR 167 Ca 0.04 -2.29 0.00 0.00 -0.37 0.00 0.00 57.07 54.45 1rdx s TYR 167 Cb -0.17 -3.44 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 1rdx s TYR 167 CO 0.07 -0.93 0.00 0.41 -1.57 0.00 0.00 175.55 173.53 1rdx n GLY 168 N 4.03 -0.14 0.57 0.71 0.00 -1.26 -3.92 105.19 105.17 1rdx n GLY 168 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1rdx n GLY 168 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rdx n SER 169 N -1.82 0.84 -4.57 1.61 7.64 -1.26 -4.92 113.62 111.14 1rdx n SER 169 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1rdx n SER 169 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1rdx n SER 169 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rdx s ALA 170 N -1.55 3.17 -0.53 -0.43 0.00 -1.26 -4.99 121.76 116.17 1rdx s ALA 170 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1rdx s ALA 170 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1rdx s ALA 170 CO 0.00 -2.24 1.17 0.99 0.00 0.00 0.00 175.76 175.68 1rdx s THR 171 N 4.10 4.11 -0.34 0.00 2.01 -1.26 -4.10 115.64 120.15 1rdx s THR 171 Ca 0.39 1.06 -0.01 0.00 0.31 0.00 0.00 61.69 63.44 1rdx s THR 171 Cb -0.09 -4.67 0.12 0.00 0.01 0.00 0.00 72.50 67.87 1rdx s THR 171 CO 0.26 -1.18 0.17 0.00 -0.69 0.00 0.00 174.62 173.18 1rdx s MET 172 N 4.71 0.60 -0.72 4.92 0.23 -0.73 0.81 119.30 129.12 1rdx s MET 172 Ca 0.45 -1.17 -0.26 0.00 -1.03 0.00 0.00 55.69 53.68 1rdx s MET 172 Cb -0.07 -1.56 -0.01 0.00 -1.53 0.00 0.00 34.83 31.66 1rdx s MET 172 CO 0.29 -1.11 1.73 -1.17 -2.03 0.00 0.00 175.02 172.72 1rdx s LEU 173 N 1.33 3.25 -1.13 0.18 0.20 -0.85 -4.14 118.68 117.52 1rdx s LEU 173 Ca 0.14 -0.14 -0.21 0.00 0.69 0.00 0.00 54.13 54.61 1rdx s LEU 173 Cb -0.20 -2.54 0.03 0.00 -0.43 0.00 0.00 46.19 43.04 1rdx s LEU 173 CO -0.14 -2.27 1.67 -0.69 -0.29 0.00 0.00 176.35 174.63 1rdx s VAL 174 N 8.28 3.90 0.32 1.68 1.01 -1.26 0.91 120.40 135.24 1rdx s VAL 174 Ca 0.59 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1rdx s VAL 174 Cb -0.10 -4.93 -0.09 0.00 0.00 0.00 0.00 36.38 31.26 1rdx s VAL 174 CO 0.13 -1.75 1.08 -0.22 0.00 0.00 0.00 175.10 174.34 1rdx s LEU 175 N 5.99 4.41 -0.18 3.92 2.96 0.34 -4.59 118.68 131.53 1rdx s LEU 175 Ca 0.54 2.18 -0.17 0.00 -0.22 0.00 0.00 54.13 56.47 1rdx s LEU 175 Cb 0.01 -3.82 0.05 0.00 0.50 0.00 0.00 46.19 42.92 1rdx s LEU 175 CO 0.01 -0.26 0.48 0.00 -1.32 0.00 0.00 176.35 175.26 1rdx s ALA 176 N -1.33 -1.18 0.00 5.97 0.00 -1.26 0.43 121.76 124.38 1rdx s ALA 176 Ca 0.49 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1rdx s ALA 176 Cb -0.28 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1rdx s ALA 176 CO 0.36 -0.23 0.00 -1.33 0.00 0.00 0.00 175.76 174.56 1rdx n MET 177 N 2.78 3.71 0.00 0.00 2.81 -1.22 -4.54 117.12 120.66 1rdx n MET 177 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1rdx n MET 177 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.08 1rdx n MET 177 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1rdx n VAL 178 N -0.01 0.06 0.00 2.03 3.14 0.09 -3.67 118.33 119.98 1rdx n VAL 178 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1rdx n VAL 178 Cb 0.00 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 1rdx n VAL 178 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1rdx n ASN 179 N 0.50 1.53 -3.92 6.55 4.13 -1.26 -5.11 115.26 117.68 1rdx n ASN 179 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1rdx n ASN 179 Cb 0.08 0.15 0.01 0.00 -1.54 0.00 0.00 39.78 38.48 1rdx n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1rdx s GLY 180 N -1.61 -0.25 0.01 7.41 0.00 -1.24 -4.96 107.32 106.68 1rdx s GLY 180 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 44.72 45.06 1rdx s GLY 180 CO 0.00 5.61 -0.20 0.14 0.00 0.00 0.00 173.10 178.65 1rdx s VAL 181 N -2.02 2.61 -0.22 1.40 1.01 -1.26 -3.41 120.40 118.51 1rdx s VAL 181 Ca 0.29 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1rdx s VAL 181 Cb 0.01 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.47 1rdx s VAL 181 CO -0.03 0.45 0.38 0.20 0.00 0.00 0.00 175.10 176.10 1rdx s ASN 182 N -1.07 0.09 0.14 3.32 -0.87 0.17 -0.65 114.94 116.06 1rdx s ASN 182 Ca 0.12 0.53 -0.28 0.00 -1.57 0.00 0.00 52.86 51.67 1rdx s ASN 182 Cb -0.10 1.15 -0.07 0.00 -0.02 0.00 0.00 41.25 42.21 1rdx s ASN 182 CO 0.02 -0.27 0.86 0.00 -2.57 0.00 0.00 177.10 175.14 1rdx s PHE 184 N -0.63 3.62 0.08 0.00 0.08 0.26 0.41 117.98 121.81 1rdx s PHE 184 Ca 0.40 -3.24 -0.31 0.00 0.12 0.00 0.00 56.93 53.90 1rdx s PHE 184 Cb -0.23 -2.86 -0.10 0.00 -0.57 0.00 0.00 43.02 39.25 1rdx s PHE 184 CO 0.28 -0.61 1.88 -0.12 -0.10 0.00 0.00 175.22 176.54 1rdx n MET 185 N 2.18 2.75 -1.50 0.44 0.00 0.77 -2.01 117.12 119.75 1rdx n MET 185 Ca 0.19 1.00 -0.30 0.00 -0.00 0.00 0.00 57.70 58.59 1rdx n MET 185 Cb 0.35 -2.91 0.10 0.00 0.00 0.00 0.00 33.22 30.76 1rdx n MET 185 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1rdx s LEU 186 N 3.31 2.52 -0.29 -0.89 2.96 0.24 0.20 118.68 126.73 1rdx s LEU 186 Ca 0.85 1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 56.04 1rdx s LEU 186 Cb -0.49 -3.88 0.10 0.00 0.50 0.00 0.00 46.19 42.41 1rdx s LEU 186 CO 0.40 -2.10 0.11 -0.62 -1.32 0.00 0.00 176.35 172.82 1rdx s ASP 187 N -3.84 3.63 0.29 3.68 -1.08 0.53 -4.73 116.67 115.14 1rdx s ASP 187 Ca 0.61 -1.36 0.01 0.00 -0.52 0.00 0.00 52.55 51.29 1rdx s ASP 187 Cb -0.15 -0.54 0.45 0.00 -1.46 0.00 0.00 42.92 41.22 1rdx s ASP 187 CO 0.55 -0.42 1.80 -0.65 0.52 0.00 0.00 175.17 176.96 1rdx h PRO 188 N 8.29 0.65 -0.68 4.34 0.11 -1.92 1.19 132.00 143.98 1rdx h PRO 188 Ca -0.17 -0.17 0.19 0.00 0.11 0.00 0.00 66.00 65.95 1rdx h PRO 188 Cb 1.02 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 1rdx h PRO 188 CO 0.44 0.69 0.48 0.00 -0.21 0.00 0.00 178.00 179.41 1rdx h ALA 189 N 1.36 2.54 -0.01 -0.75 0.00 -1.95 0.12 119.26 120.57 1rdx h ALA 189 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rdx h ALA 189 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rdx h ALA 189 CO 0.02 -0.73 0.00 0.44 0.00 0.00 0.00 179.25 178.98 1rdx n ILE 190 N -4.37 1.05 -4.03 0.00 -5.35 -0.97 -5.00 119.36 100.68 1rdx n ILE 190 Ca 0.13 -1.07 -0.26 0.00 -0.27 0.00 0.00 62.75 61.29 1rdx n ILE 190 Cb 0.71 0.46 -0.08 0.00 -1.74 0.00 0.00 39.64 38.98 1rdx n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rdx n GLY 191 N -0.52 -0.10 2.97 3.28 0.00 0.33 -4.89 105.19 106.26 1rdx n GLY 191 Ca 0.01 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1rdx n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rdx s GLU 192 N -6.70 0.41 0.28 1.61 2.56 0.29 -4.93 118.70 112.21 1rdx s GLU 192 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 54.97 54.44 1rdx s GLU 192 Cb -0.00 -0.36 -0.09 0.00 2.00 0.00 0.00 34.13 35.68 1rdx s GLU 192 CO 0.84 0.09 0.97 -0.06 -0.56 0.00 0.00 175.26 176.55 1rdx s PHE 193 N -0.29 3.80 -0.17 5.30 0.08 -1.26 0.20 117.98 125.64 1rdx s PHE 193 Ca 0.00 1.83 -0.04 0.00 0.12 0.00 0.00 56.93 58.84 1rdx s PHE 193 Cb -0.03 -3.01 0.07 0.00 -0.57 0.00 0.00 43.02 39.48 1rdx s PHE 193 CO -0.00 0.19 0.14 0.42 -0.10 0.00 0.00 175.22 175.87 1rdx s ILE 194 N -1.35 -0.18 0.95 0.64 -1.09 0.55 -2.93 121.20 117.79 1rdx s ILE 194 Ca 0.45 -0.09 -0.14 0.00 -2.23 0.00 0.00 60.65 58.65 1rdx s ILE 194 Cb -0.24 -0.57 -0.00 0.00 -1.58 0.00 0.00 42.46 40.06 1rdx s ILE 194 CO 0.30 -0.21 0.17 -0.11 -1.23 0.00 0.00 174.94 173.87 1rdx n LEU 195 N 5.30 -1.32 0.00 2.97 7.94 0.16 0.27 117.00 132.31 1rdx n LEU 195 Ca -0.06 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1rdx n LEU 195 Cb 0.49 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1rdx n LEU 195 CO 0.09 -4.09 -0.07 1.33 -1.11 0.00 0.00 177.39 173.54 1rdx n VAL 196 N -3.33 0.00 -3.82 1.96 0.24 0.17 -4.51 118.33 109.04 1rdx n VAL 196 Ca 0.05 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.02 1rdx n VAL 196 Cb 0.54 -0.61 -0.11 0.00 -1.47 0.00 0.00 33.84 32.19 1rdx n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rdx s ASP 197 N -4.93 4.91 -0.58 -1.34 -1.08 -1.26 -5.06 116.67 107.33 1rdx s ASP 197 Ca 0.00 -3.11 -0.30 0.00 -0.52 0.00 0.00 52.55 48.61 1rdx s ASP 197 Cb 0.00 -1.76 -0.12 0.00 -1.46 0.00 0.00 42.92 39.58 1rdx s ASP 197 CO 0.00 -0.27 2.42 -1.14 0.52 0.00 0.00 175.17 176.70 1rdx n ARG 198 N 3.06 0.78 -0.13 4.34 3.00 -1.26 -4.46 116.66 121.99 1rdx n ARG 198 Ca 0.09 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1rdx n ARG 198 Cb 0.35 -2.60 0.00 0.00 0.00 0.00 0.00 32.46 30.22 1rdx n ARG 198 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rdx n ASN 199 N 12.45 -2.22 -4.51 6.15 3.02 -1.21 -5.09 115.26 123.84 1rdx n ASN 199 Ca 0.46 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.81 1rdx n ASN 199 Cb 0.30 0.55 -0.11 0.00 -0.61 0.00 0.00 39.78 39.90 1rdx n ASN 199 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rdx s VAL 200 N -1.44 3.10 -0.16 2.41 1.01 0.17 -4.94 120.40 120.56 1rdx s VAL 200 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1rdx s VAL 200 Cb 0.00 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 34.09 1rdx s VAL 200 CO 0.00 0.28 0.19 -0.54 0.00 0.00 0.00 175.10 175.02 1rdx s LYS 201 N -1.67 0.12 0.09 2.72 -0.14 -1.25 -4.20 119.74 115.41 1rdx s LYS 201 Ca 0.17 0.32 -0.36 0.00 -1.36 0.00 0.00 55.97 54.74 1rdx s LYS 201 Cb -0.11 -0.90 -0.17 0.00 -1.68 0.00 0.00 37.83 34.96 1rdx s LYS 201 CO 0.08 -0.52 1.15 -0.89 -0.76 0.00 0.00 175.35 174.41 1rdx n ILE 202 N 5.32 0.40 -0.80 2.17 2.08 0.50 -4.93 119.36 124.08 1rdx n ILE 202 Ca -0.05 -0.10 -0.30 0.00 0.56 0.00 0.00 62.75 62.85 1rdx n ILE 202 Cb 0.50 -0.53 0.17 0.00 -0.75 0.00 0.00 39.64 39.03 1rdx n ILE 202 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1rdx s LYS 203 N -0.01 0.79 -0.03 0.38 -0.14 -1.26 -4.83 119.74 114.63 1rdx s LYS 203 Ca 0.82 1.25 0.10 0.00 -1.36 0.00 0.00 55.97 56.78 1rdx s LYS 203 Cb -1.01 -1.72 -0.15 0.00 -1.68 0.00 0.00 37.83 33.27 1rdx s LYS 203 CO 0.52 -2.69 0.17 1.63 -0.76 0.00 0.00 175.35 174.22 1rdx n LYS 204 N -4.25 0.86 -3.50 1.68 5.02 -1.26 -3.73 118.16 112.98 1rdx n LYS 204 Ca 0.09 -0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 56.03 1rdx n LYS 204 Cb 0.53 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 34.19 1rdx n LYS 204 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rdx s LYS 205 N -2.58 1.15 0.00 1.97 2.47 -1.26 -3.65 119.74 117.84 1rdx s LYS 205 Ca -0.04 -2.25 0.00 0.00 -1.56 0.00 0.00 55.97 52.12 1rdx s LYS 205 Cb 0.06 -1.79 0.00 0.00 -1.46 0.00 0.00 37.83 34.64 1rdx s LYS 205 CO 0.41 -1.35 0.00 0.41 0.16 0.00 0.00 175.35 174.99 1rdx n GLY 206 N 2.83 -2.19 0.00 5.54 0.00 -1.26 -4.94 105.19 105.17 1rdx n GLY 206 Ca 0.26 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1rdx n GLY 206 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rdx n SER 207 N 0.00 0.00 -4.09 1.61 7.64 -0.36 -4.97 113.62 113.45 1rdx n SER 207 Ca 0.00 -0.60 -0.14 0.00 1.01 0.00 0.00 58.87 59.14 1rdx n SER 207 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1rdx n SER 207 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rdx s ILE 208 N 0.00 0.68 0.09 0.44 1.01 -0.07 0.39 121.20 123.75 1rdx s ILE 208 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 59.51 1rdx s ILE 208 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1rdx s ILE 208 CO 0.00 -0.37 -0.09 -0.72 0.00 0.00 0.00 174.94 173.76 1rdx s TYR 209 N -1.46 1.00 -0.04 3.97 1.13 -1.01 -3.07 117.35 117.87 1rdx s TYR 209 Ca -0.07 -0.68 0.02 0.00 -1.41 0.00 0.00 57.07 54.93 1rdx s TYR 209 Cb -0.09 -0.55 0.01 0.00 -1.10 0.00 0.00 41.96 40.22 1rdx s TYR 209 CO 0.01 -0.03 -0.08 -1.54 -2.51 0.00 0.00 175.55 171.39 1rdx s SER 210 N -2.46 1.25 0.00 -0.18 1.04 0.20 -4.22 113.70 109.33 1rdx s SER 210 Ca 0.05 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1rdx s SER 210 Cb -0.02 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1rdx s SER 210 CO -0.01 0.02 0.00 0.00 0.98 0.00 0.00 173.24 174.24 1rdx n ILE 211 N 3.64 0.00 -3.64 -1.02 3.06 -1.25 0.28 119.36 120.43 1rdx n ILE 211 Ca -0.22 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.64 1rdx n ILE 211 Cb 0.53 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.59 1rdx n ILE 211 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1rdx s ASN 212 N -0.66 5.59 0.00 9.51 3.84 -1.26 -4.91 114.94 127.05 1rdx s ASN 212 Ca 0.00 -0.85 0.29 0.00 0.21 0.00 0.00 52.86 52.51 1rdx s ASN 212 Cb 0.00 -1.99 1.25 0.00 -0.55 0.00 0.00 41.25 39.96 1rdx s ASN 212 CO 0.00 -0.31 1.91 -0.62 -2.79 0.00 0.00 177.10 175.29 1rdx n GLU 213 N 4.96 0.17 0.17 0.43 1.02 -1.26 -3.00 120.64 123.13 1rdx n GLU 213 Ca -0.13 -0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.13 1rdx n GLU 213 Cb 0.47 -1.50 0.58 0.00 -0.02 0.00 0.00 31.44 30.97 1rdx n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1rdx h GLY 214 N 5.00 0.00 -7.12 0.62 0.00 -2.05 -3.35 103.07 96.17 1rdx h GLY 214 Ca 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 47.33 46.54 1rdx h GLY 214 CO 0.00 0.00 0.57 -1.72 0.00 0.00 0.00 176.54 175.39 1rdx n TYR 215 N -2.41 3.42 0.00 5.60 4.01 -1.16 -4.92 117.16 121.70 1rdx n TYR 215 Ca 0.01 -3.18 0.00 0.00 -0.16 0.00 0.00 57.90 54.57 1rdx n TYR 215 Cb 0.19 -1.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.85 1rdx n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rdx n ALA 216 N 1.79 0.00 -0.12 -0.72 0.00 -1.26 -4.23 120.51 115.97 1rdx n ALA 216 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1rdx n ALA 216 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1rdx n ALA 216 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1rdx n LYS 217 N -0.25 -0.12 0.24 0.00 2.85 -1.26 -1.61 118.16 118.01 1rdx n LYS 217 Ca 0.00 0.54 0.07 0.00 -1.05 0.00 0.00 58.31 57.87 1rdx n LYS 217 Cb 0.00 -0.79 0.58 0.00 -0.65 0.00 0.00 35.03 34.17 1rdx n LYS 217 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1rdx h GLU 218 N 0.00 0.00 -7.07 -1.58 3.07 -1.95 -3.45 114.58 103.60 1rdx h GLU 218 Ca 0.04 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.45 1rdx h GLU 218 Cb 0.11 0.00 0.22 0.00 -0.84 0.00 0.00 28.75 28.24 1rdx h GLU 218 CO -0.26 0.10 -0.15 1.19 -1.40 0.00 0.00 179.01 178.49 1rdx n PHE 219 N -4.37 -1.14 -3.87 4.33 3.01 -0.63 -4.79 117.46 110.01 1rdx n PHE 219 Ca -0.03 -0.07 -0.26 0.00 1.01 0.00 0.00 57.45 58.10 1rdx n PHE 219 Cb 0.18 -1.71 -0.03 0.00 -0.01 0.00 0.00 39.48 37.91 1rdx n PHE 219 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1rdx s ASP 220 N -2.34 6.35 0.00 4.37 1.47 -1.26 -4.92 116.67 120.35 1rdx s ASP 220 Ca 0.67 0.24 -0.02 0.00 1.18 0.00 0.00 52.55 54.62 1rdx s ASP 220 Cb -0.24 -1.94 -0.07 0.00 -0.34 0.00 0.00 42.92 40.33 1rdx s ASP 220 CO 0.65 0.02 2.06 -0.81 0.68 0.00 0.00 175.17 177.77 1rdx n PRO 221 N -0.62 1.06 0.00 2.11 -0.04 -1.26 0.08 135.00 136.33 1rdx n PRO 221 Ca -0.06 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1rdx n PRO 221 Cb 0.54 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1rdx n PRO 221 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rdx n ALA 222 N 1.95 1.59 -0.04 0.55 0.00 -1.26 -4.78 120.51 118.53 1rdx n ALA 222 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 1rdx n ALA 222 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 1rdx n ALA 222 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1rdx n ILE 223 N -1.16 1.66 0.75 0.00 3.06 -0.73 -3.67 119.36 119.26 1rdx n ILE 223 Ca 0.00 -0.64 0.00 0.00 -2.50 0.00 0.00 62.75 59.61 1rdx n ILE 223 Cb 0.00 -1.54 0.00 0.00 0.54 0.00 0.00 39.64 38.64 1rdx n ILE 223 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1rdx n THR 224 N -3.36 0.30 -0.01 9.51 -1.04 0.11 -1.62 114.28 118.18 1rdx n THR 224 Ca -0.36 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.62 1rdx n THR 224 Cb 1.03 -0.57 -0.01 0.00 -1.82 0.00 0.00 70.33 68.96 1rdx n THR 224 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rdx n GLU 225 N 0.33 0.07 -0.09 -2.82 1.02 -1.24 -4.36 120.64 113.54 1rdx n GLU 225 Ca 0.00 0.03 0.20 0.00 -0.02 0.00 0.00 57.16 57.37 1rdx n GLU 225 Cb 0.26 -0.62 0.62 0.00 -0.02 0.00 0.00 31.44 31.68 1rdx n GLU 225 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1rdx h TYR 226 N -0.12 0.19 0.27 -0.32 3.20 -1.37 0.28 116.97 119.10 1rdx h TYR 226 Ca -0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1rdx h TYR 226 Cb 0.99 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1rdx h TYR 226 CO -0.02 0.07 -0.18 0.82 -1.64 0.00 0.00 178.16 177.22 1rdx h ILE 227 N 0.16 0.62 -0.44 1.81 2.04 -1.73 -3.05 117.51 116.92 1rdx h ILE 227 Ca 0.33 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.28 1rdx h ILE 227 Cb 1.07 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 1rdx h ILE 227 CO -0.05 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 179.47 1rdx h GLN 228 N -0.44 -0.09 -0.85 2.37 1.08 -0.65 -1.16 115.11 115.37 1rdx h GLN 228 Ca -0.02 0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.36 1rdx h GLN 228 Cb 0.37 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 1rdx h GLN 228 CO 0.02 -0.06 0.56 -0.09 -0.95 0.00 0.00 178.83 178.31 1rdx h ARG 229 N -0.10 0.43 0.12 1.46 2.43 -1.38 1.06 114.38 118.40 1rdx h ARG 229 Ca 0.21 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1rdx h ARG 229 Cb 0.43 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1rdx h ARG 229 CO -0.51 0.28 -0.06 0.87 -1.51 0.00 0.00 179.97 179.05 1rdx h LYS 230 N 0.44 -0.16 -0.01 0.20 6.56 -1.16 -2.39 116.57 120.04 1rdx h LYS 230 Ca 0.43 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 60.04 1rdx h LYS 230 Cb 1.00 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 1rdx h LYS 230 CO -0.16 -0.10 -0.22 0.87 -2.06 0.00 0.00 179.45 177.78 1rdx h LYS 231 N -0.84 -0.25 -2.91 3.15 1.57 -0.94 -3.02 116.57 113.33 1rdx h LYS 231 Ca -0.02 0.02 -0.81 0.00 -1.87 0.00 0.00 60.65 57.97 1rdx h LYS 231 Cb 0.12 0.06 -0.28 0.00 0.08 0.00 0.00 32.23 32.21 1rdx h LYS 231 CO 0.03 -0.17 0.81 1.19 -0.57 0.00 0.00 179.45 180.74 1rdx n PHE 232 N -3.71 2.23 -1.68 -1.35 3.01 0.36 -4.56 117.46 111.76 1rdx n PHE 232 Ca -0.03 -2.56 -0.46 0.00 1.01 0.00 0.00 57.45 55.41 1rdx n PHE 232 Cb 0.16 -1.26 -0.04 0.00 -0.01 0.00 0.00 39.48 38.33 1rdx n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1rdx n PRO 233 N 1.31 2.32 0.00 -1.08 -0.02 -0.90 -4.32 135.00 132.31 1rdx n PRO 233 Ca 0.26 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1rdx n PRO 233 Cb 0.33 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1rdx n PRO 233 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1rdx n PRO 234 N 4.86 0.00 -0.52 0.52 -0.04 -1.26 -3.80 135.00 134.76 1rdx n PRO 234 Ca 0.19 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1rdx n PRO 234 Cb 0.31 -0.64 -0.04 0.00 -0.04 0.00 0.00 33.50 33.09 1rdx n PRO 234 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1rdx n ASP 235 N -0.21 3.20 -2.94 3.54 -0.08 -1.26 -4.47 116.55 114.34 1rdx n ASP 235 Ca 0.00 -2.12 -0.01 0.00 -1.51 0.00 0.00 54.79 51.16 1rdx n ASP 235 Cb 0.00 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 42.64 1rdx n ASP 235 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1rdx n ASN 236 N 3.73 -7.28 -4.46 1.67 2.85 -1.26 -5.06 115.26 105.45 1rdx n ASN 236 Ca 0.28 -0.09 -0.28 0.00 -0.11 0.00 0.00 54.58 54.38 1rdx n ASN 236 Cb 0.22 -4.95 -0.09 0.00 1.24 0.00 0.00 39.78 36.20 1rdx n ASN 236 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1rdx s SER 237 N -2.94 3.33 -0.20 1.20 0.15 -1.25 -5.14 113.70 108.86 1rdx s SER 237 Ca 0.02 -1.58 -0.07 0.00 0.70 0.00 0.00 55.95 55.02 1rdx s SER 237 Cb -0.00 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1rdx s SER 237 CO 0.69 -0.79 0.06 0.00 1.20 0.00 0.00 173.24 174.40 1rdx s ALA 238 N -3.04 3.28 -0.09 5.45 0.00 -1.26 -4.65 121.76 121.45 1rdx s ALA 238 Ca 0.21 -0.88 -0.39 0.00 0.00 0.00 0.00 51.96 50.90 1rdx s ALA 238 Cb 0.04 -1.94 -0.17 0.00 0.00 0.00 0.00 23.12 21.05 1rdx s ALA 238 CO 0.11 -0.04 1.43 -2.30 0.00 0.00 0.00 175.76 174.96 1rdx n PRO 239 N 4.00 0.83 -2.13 0.00 -0.02 -1.26 -4.89 135.00 131.52 1rdx n PRO 239 Ca -0.16 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1rdx n PRO 239 Cb 0.52 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1rdx n PRO 239 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1rdx s TYR 240 N 1.50 3.17 0.66 6.00 5.04 -1.20 -5.02 117.35 127.49 1rdx s TYR 240 Ca 0.92 1.11 -0.07 0.00 -2.44 0.00 0.00 57.07 56.59 1rdx s TYR 240 Cb -1.10 -3.69 0.14 0.00 0.35 0.00 0.00 41.96 37.66 1rdx s TYR 240 CO 0.57 -2.24 0.89 0.41 -1.34 0.00 0.00 175.55 173.85 1rdx n GLY 241 N 2.45 -0.52 3.54 8.97 0.00 0.16 -4.80 105.19 114.99 1rdx n GLY 241 Ca 0.07 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1rdx n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rdx s ALA 242 N -3.59 -1.89 -0.24 4.61 0.00 -1.26 -2.40 121.76 116.99 1rdx s ALA 242 Ca 0.54 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 1rdx s ALA 242 Cb -0.02 0.05 0.12 0.00 0.00 0.00 0.00 23.12 23.27 1rdx s ALA 242 CO 0.37 -0.58 0.46 0.00 0.00 0.00 0.00 175.76 176.01 1rdx s ALA 243 N -2.51 -1.39 -0.45 0.00 0.00 -1.26 -4.98 121.76 111.18 1rdx s ALA 243 Ca 0.04 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 1rdx s ALA 243 Cb -0.01 -1.59 0.12 0.00 0.00 0.00 0.00 23.12 21.65 1rdx s ALA 243 CO -0.06 -0.99 0.26 -0.47 0.00 0.00 0.00 175.76 174.50 1rdx s TYR 244 N 2.66 3.55 0.41 0.00 5.04 -1.26 -4.85 117.35 122.90 1rdx s TYR 244 Ca 0.05 -2.43 0.11 0.00 -2.44 0.00 0.00 57.07 52.35 1rdx s TYR 244 Cb -0.13 -3.24 0.92 0.00 0.35 0.00 0.00 41.96 39.86 1rdx s TYR 244 CO -0.15 -0.95 1.98 0.28 -1.34 0.00 0.00 175.55 175.37 1rdx h VAL 245 N 6.16 0.96 0.00 3.14 2.07 -1.98 -3.45 116.25 123.14 1rdx h VAL 245 Ca -0.12 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1rdx h VAL 245 Cb 1.03 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1rdx h VAL 245 CO 0.71 0.10 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1rdx n GLY 246 N -1.49 3.23 3.44 2.17 0.00 -1.26 -5.04 105.19 106.24 1rdx n GLY 246 Ca 0.09 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1rdx n GLY 246 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rdx n SER 247 N 0.19 -1.70 -0.07 1.61 2.88 -1.26 -4.96 113.62 110.31 1rdx n SER 247 Ca 0.00 0.26 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 1rdx n SER 247 Cb 0.00 -1.22 -0.13 0.00 -0.75 0.00 0.00 64.21 62.11 1rdx n SER 247 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1rdx h MET 248 N -1.74 0.05 0.62 -1.46 4.05 -1.93 -3.38 114.93 111.14 1rdx h MET 248 Ca -0.45 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 58.85 1rdx h MET 248 Cb 1.29 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.13 1rdx h MET 248 CO 0.37 1.04 -0.30 0.28 0.23 0.00 0.00 176.91 178.53 1rdx h VAL 249 N -0.87 0.00 0.00 -5.77 2.07 -1.90 0.27 116.25 110.04 1rdx h VAL 249 Ca -0.18 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1rdx h VAL 249 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1rdx h VAL 249 CO -0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.53 1rdx n ALA 250 N -2.44 0.98 0.00 1.67 0.00 -1.24 0.71 120.51 120.18 1rdx n ALA 250 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1rdx n ALA 250 Cb 0.33 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1rdx n ALA 250 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rdx n ASP 251 N -0.77 2.91 -1.53 0.00 9.92 -1.16 -4.52 116.55 121.39 1rdx n ASP 251 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 1rdx n ASP 251 Cb 0.00 0.30 0.32 0.00 -0.64 0.00 0.00 41.12 41.11 1rdx n ASP 251 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1rdx n VAL 252 N -1.35 1.93 -0.00 2.53 3.14 0.16 -2.84 118.33 121.90 1rdx n VAL 252 Ca 0.00 -1.08 0.00 0.00 -2.96 0.00 0.00 64.34 60.30 1rdx n VAL 252 Cb 0.28 -0.13 -0.01 0.00 -1.06 0.00 0.00 33.84 32.92 1rdx n VAL 252 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1rdx n HIS 253 N 0.73 0.00 -0.07 1.45 -0.00 0.22 -4.46 115.22 113.08 1rdx n HIS 253 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.82 1rdx n HIS 253 Cb 0.91 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.88 1rdx n HIS 253 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1rdx h ARG 254 N 0.00 0.81 -0.97 1.57 2.43 -1.72 -2.02 114.38 114.47 1rdx h ARG 254 Ca -0.00 -0.47 0.18 0.00 -0.81 0.00 0.00 59.98 58.88 1rdx h ARG 254 Cb 0.06 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 1rdx h ARG 254 CO 0.00 1.10 0.61 1.15 -1.51 0.00 0.00 179.97 181.32 1rdx h THR 255 N 0.64 0.74 0.00 0.20 2.02 -1.75 0.51 112.91 115.27 1rdx h THR 255 Ca 0.03 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1rdx h THR 255 Cb 1.05 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1rdx h THR 255 CO 0.10 0.13 0.00 -0.07 0.37 0.00 0.00 175.52 176.05 1rdx h LEU 256 N 0.70 0.00 0.00 2.58 4.07 -1.58 -3.42 115.31 117.66 1rdx h LEU 256 Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.49 1rdx h LEU 256 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1rdx h LEU 256 CO -0.30 0.00 0.00 0.52 -1.08 0.00 0.00 178.44 177.58 1rdx n VAL 257 N -2.46 0.00 0.00 1.22 0.31 0.18 -4.89 118.33 112.69 1rdx n VAL 257 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1rdx n VAL 257 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1rdx n VAL 257 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rdx n TYR 258 N 0.00 0.00 0.00 3.52 9.36 -1.24 -4.35 117.16 124.46 1rdx n TYR 258 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1rdx n TYR 258 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1rdx n TYR 258 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1rdx n GLY 259 N 0.00 -1.93 3.79 2.98 0.00 -1.26 -4.73 105.19 104.05 1rdx n GLY 259 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 46.02 46.71 1rdx n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rdx s GLY 260 N 0.00 2.04 -0.28 -0.02 0.00 -1.25 -0.89 107.32 106.91 1rdx s GLY 260 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.87 1rdx s GLY 260 CO 0.00 -1.74 0.49 -1.50 0.00 0.00 0.00 173.10 170.36 1rdx s ILE 261 N -2.45 -0.80 0.48 0.90 -1.16 -1.17 -4.24 121.20 112.75 1rdx s ILE 261 Ca 0.42 -0.11 -0.22 0.00 -0.51 0.00 0.00 60.65 60.23 1rdx s ILE 261 Cb -0.02 -0.96 -0.07 0.00 0.61 0.00 0.00 42.46 42.01 1rdx s ILE 261 CO 0.25 -0.12 1.11 0.12 -2.81 0.00 0.00 174.94 173.49 1rdx s PHE 262 N 2.69 2.91 -0.04 3.50 2.19 -0.97 -0.63 117.98 127.63 1rdx s PHE 262 Ca 0.13 1.57 -0.01 0.00 0.33 0.00 0.00 56.93 58.94 1rdx s PHE 262 Cb -0.13 -3.25 0.03 0.00 -1.31 0.00 0.00 43.02 38.36 1rdx s PHE 262 CO -0.24 -1.24 0.03 -1.64 1.83 0.00 0.00 175.22 173.96 1rdx s MET 263 N -2.92 0.19 -0.32 10.12 -1.94 0.82 -2.66 119.30 122.59 1rdx s MET 263 Ca 0.66 0.21 -0.07 0.00 -1.71 0.00 0.00 55.69 54.77 1rdx s MET 263 Cb -0.24 -0.57 0.19 0.00 2.01 0.00 0.00 34.83 36.22 1rdx s MET 263 CO 0.28 -0.25 0.98 -0.47 -0.01 0.00 0.00 175.02 175.55 1rdx s TYR 264 N 1.65 -0.64 0.00 -0.03 5.04 -1.22 -3.83 117.35 118.33 1rdx s TYR 264 Ca -0.01 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1rdx s TYR 264 Cb -0.13 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1rdx s TYR 264 CO -0.03 -0.41 0.00 -0.35 -1.34 0.00 0.00 175.55 173.42 1rdx n PRO 265 N 4.44 3.98 -1.56 4.97 -0.04 -1.26 -2.77 135.00 142.75 1rdx n PRO 265 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 1rdx n PRO 265 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1rdx n PRO 265 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rdx n ALA 266 N -3.00 1.18 0.85 0.55 0.00 -1.17 -2.56 120.51 116.36 1rdx n ALA 266 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1rdx n ALA 266 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 16.39 1rdx n ALA 266 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1rdx n ASN 267 N 13.99 0.28 0.00 0.00 0.23 -0.85 -4.81 115.26 124.10 1rdx n ASN 267 Ca 0.35 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.27 1rdx n ASN 267 Cb 0.49 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1rdx n ASN 267 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1rdx n LYS 268 N -0.14 0.00 -0.09 -3.83 4.76 -1.26 -4.35 118.16 113.24 1rdx n LYS 268 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1rdx n LYS 268 Cb 0.07 -0.21 -0.03 0.00 -1.84 0.00 0.00 35.03 33.01 1rdx n LYS 268 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1rdx h LYS 269 N 0.00 0.45 -6.41 1.97 3.64 -1.95 -3.42 116.57 110.86 1rdx h LYS 269 Ca 0.00 -0.12 -0.69 0.00 -1.27 0.00 0.00 60.65 58.57 1rdx h LYS 269 Cb 0.00 -0.05 -0.23 0.00 -0.41 0.00 0.00 32.23 31.54 1rdx h LYS 269 CO 0.00 0.56 -0.78 -1.12 -2.27 0.00 0.00 179.45 175.84 1rdx s SER 270 N -5.86 3.97 0.00 4.20 0.01 -1.26 -5.05 113.70 109.71 1rdx s SER 270 Ca -0.14 -0.27 0.18 0.00 1.31 0.00 0.00 55.95 57.03 1rdx s SER 270 Cb 0.08 -0.78 1.00 0.00 0.21 0.00 0.00 66.02 66.53 1rdx s SER 270 CO 0.74 0.31 1.50 -0.81 0.41 0.00 0.00 173.24 175.39 1rdx n PRO 271 N 2.02 0.44 0.00 12.44 -0.04 -1.26 -2.00 135.00 146.59 1rdx n PRO 271 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1rdx n PRO 271 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1rdx n PRO 271 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rdx n LYS 272 N -1.12 2.05 0.00 0.54 5.02 -1.26 -4.49 118.16 118.90 1rdx n LYS 272 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1rdx n LYS 272 Cb 0.09 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1rdx n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rdx n GLY 273 N 0.00 0.36 0.00 0.72 0.00 -1.06 -2.50 105.19 102.72 1rdx n GLY 273 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1rdx n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rdx n LYS 274 N 0.00 0.04 -3.59 1.61 5.02 -1.26 -4.64 118.16 115.34 1rdx n LYS 274 Ca 0.00 -0.32 -0.40 0.00 -2.02 0.00 0.00 58.31 55.57 1rdx n LYS 274 Cb 0.00 -0.52 -0.11 0.00 -0.02 0.00 0.00 35.03 34.38 1rdx n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rdx s LEU 275 N -0.02 4.48 -0.59 -0.35 1.43 -1.26 -4.96 118.68 117.41 1rdx s LEU 275 Ca 0.00 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1rdx s LEU 275 Cb 0.00 -2.05 -0.15 0.00 0.03 0.00 0.00 46.19 44.02 1rdx s LEU 275 CO 0.00 -0.29 1.82 0.54 0.23 0.00 0.00 176.35 178.65 1rdx n ARG 276 N 5.03 1.23 0.00 1.70 3.00 -1.26 -0.43 116.66 125.92 1rdx n ARG 276 Ca -0.13 -1.47 0.00 0.00 -0.01 0.00 0.00 57.85 56.25 1rdx n ARG 276 Cb 0.48 -2.64 0.00 0.00 0.00 0.00 0.00 32.46 30.30 1rdx n ARG 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1rdx n LEU 277 N 6.70 0.00 0.00 0.55 7.94 -1.01 -2.42 117.00 128.77 1rdx n LEU 277 Ca 0.43 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1rdx n LEU 277 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1rdx n LEU 277 CO 0.93 0.00 0.24 0.18 -1.11 0.00 0.00 177.39 177.64 1rdx n LEU 278 N -2.18 0.00 -0.61 -1.96 4.77 -1.25 -0.75 117.00 115.01 1rdx n LEU 278 Ca 0.00 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1rdx n LEU 278 Cb 0.00 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1rdx n LEU 278 CO 0.00 -0.08 0.18 0.00 -1.33 0.00 0.00 177.39 176.16 1rdx n TYR 279 N -0.94 0.00 0.00 -1.77 4.11 -1.01 -4.74 117.16 112.81 1rdx n TYR 279 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.90 57.71 1rdx n TYR 279 Cb 0.05 0.33 0.00 0.00 -0.00 0.00 0.00 39.34 39.72 1rdx n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1rdx n GLU 280 N 0.00 0.00 -0.03 -3.48 -0.58 0.07 -3.91 120.64 112.71 1rdx n GLU 280 Ca -0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1rdx n GLU 280 Cb 0.43 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.30 1rdx n GLU 280 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rdx n ASN 282 N 0.28 0.62 -0.33 0.00 4.05 -1.02 -4.53 115.26 114.34 1rdx n ASN 282 Ca 0.01 0.12 0.02 0.00 0.45 0.00 0.00 54.58 55.18 1rdx n ASN 282 Cb 0.43 -0.16 0.09 0.00 1.23 0.00 0.00 39.78 41.36 1rdx n ASN 282 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1rdx h PRO 283 N 0.00 -0.02 0.85 1.20 0.11 -1.80 0.13 132.00 132.47 1rdx h PRO 283 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1rdx h PRO 283 Cb 0.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 1rdx h PRO 283 CO 0.00 -0.01 -0.41 0.00 -0.21 0.00 0.00 178.00 177.37 1rdx h MET 284 N -0.02 -1.10 -0.97 1.05 -0.00 -1.82 -2.31 114.93 109.77 1rdx h MET 284 Ca 0.39 0.07 0.28 0.00 -0.00 0.00 0.00 59.70 60.45 1rdx h MET 284 Cb 0.64 0.25 -0.18 0.00 -0.00 0.00 0.00 31.60 32.31 1rdx h MET 284 CO -0.94 -0.72 0.06 0.00 -0.00 0.00 0.00 176.91 175.31 1rdx n ALA 285 N -2.62 0.53 -0.04 -3.00 0.00 0.26 -0.45 120.51 115.20 1rdx n ALA 285 Ca -0.15 1.03 -0.12 0.00 0.00 0.00 0.00 53.44 54.20 1rdx n ALA 285 Cb 0.45 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 1rdx n ALA 285 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1rdx h TYR 286 N 0.00 0.23 -0.85 0.00 5.03 -0.91 -2.79 116.97 117.69 1rdx h TYR 286 Ca 0.60 -0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.92 1rdx h TYR 286 Cb 1.28 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 39.45 1rdx h TYR 286 CO -0.46 0.43 0.55 0.28 -1.32 0.00 0.00 178.16 177.64 1rdx h VAL 287 N -0.03 1.12 -0.05 1.81 2.07 -0.18 -2.72 116.25 118.28 1rdx h VAL 287 Ca 0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1rdx h VAL 287 Cb 0.32 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1rdx h VAL 287 CO 0.00 0.19 -0.02 0.24 0.02 0.00 0.00 177.57 178.01 1rdx h MET 288 N 1.02 0.10 -0.52 1.57 2.86 -1.32 -2.90 114.93 115.73 1rdx h MET 288 Ca 0.34 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 58.04 1rdx h MET 288 Cb 0.08 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1rdx h MET 288 CO -0.11 0.45 0.07 0.93 1.06 0.00 0.00 176.91 179.32 1rdx h GLU 289 N -0.25 0.19 0.23 1.72 5.08 -0.79 1.53 114.58 122.29 1rdx h GLU 289 Ca 0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1rdx h GLU 289 Cb 0.42 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1rdx h GLU 289 CO 0.01 0.13 -0.30 0.87 -1.00 0.00 0.00 179.01 178.72 1rdx h LYS 290 N 0.20 -0.56 0.00 2.33 1.79 -1.55 0.15 116.57 118.93 1rdx h LYS 290 Ca 0.27 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1rdx h LYS 290 Cb 0.39 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1rdx h LYS 290 CO -0.38 -0.37 0.00 0.00 -1.08 0.00 0.00 179.45 177.62 1rdx n ALA 291 N -2.61 1.45 -2.28 3.86 0.00 -0.52 -4.65 120.51 115.76 1rdx n ALA 291 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1rdx n ALA 291 Cb 0.32 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.82 1rdx n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdx n GLY 292 N -0.75 0.27 2.88 0.00 0.00 0.53 0.19 105.19 108.30 1rdx n GLY 292 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1rdx n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rdx s GLY 293 N -3.29 1.31 -0.73 -0.02 0.00 0.51 -3.78 107.32 101.32 1rdx s GLY 293 Ca 0.02 -1.63 -0.26 0.00 0.00 0.00 0.00 44.72 42.86 1rdx s GLY 293 CO 0.19 1.16 1.86 1.08 0.00 0.00 0.00 173.10 177.39 1rdx s LEU 294 N 1.39 3.25 0.53 0.66 1.43 -1.26 -1.01 118.68 123.67 1rdx s LEU 294 Ca 0.02 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 1rdx s LEU 294 Cb -0.18 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1rdx s LEU 294 CO -0.12 -2.47 0.89 0.00 0.23 0.00 0.00 176.35 174.88 1rdx s ALA 295 N 9.21 3.27 0.00 4.21 0.00 -1.26 -4.16 121.76 133.04 1rdx s ALA 295 Ca 0.66 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1rdx s ALA 295 Cb -0.10 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1rdx s ALA 295 CO 0.12 -0.47 0.00 -2.37 0.00 0.00 0.00 175.76 173.04 1rdx n THR 296 N -2.40 0.00 0.17 0.00 5.66 -1.20 -4.37 114.28 112.13 1rdx n THR 296 Ca 0.03 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.08 1rdx n THR 296 Cb 0.55 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 1rdx n THR 296 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1rdx n THR 297 N -0.02 0.00 0.00 1.09 -2.24 0.36 -0.22 114.28 113.26 1rdx n THR 297 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1rdx n THR 297 Cb 0.00 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1rdx n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rdx n GLY 298 N 1.66 2.41 0.00 3.38 0.00 -1.26 -4.46 105.19 106.93 1rdx n GLY 298 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rdx n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rdx n LYS 299 N -0.27 1.02 0.00 1.61 3.00 -1.26 -4.98 118.16 117.27 1rdx n LYS 299 Ca 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 58.31 57.48 1rdx n LYS 299 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 35.03 34.25 1rdx n LYS 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1rdx n GLU 300 N -0.20 0.00 -1.80 1.64 2.13 -1.26 -5.12 120.64 116.03 1rdx n GLU 300 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1rdx n GLU 300 Cb 0.29 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 1rdx n GLU 300 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rdx s ALA 301 N -0.52 3.10 0.57 4.31 0.00 -1.26 0.14 121.76 128.10 1rdx s ALA 301 Ca 0.00 0.78 0.41 0.00 0.00 0.00 0.00 51.96 53.15 1rdx s ALA 301 Cb 0.00 -3.95 1.49 0.00 0.00 0.00 0.00 23.12 20.66 1rdx s ALA 301 CO 0.00 -2.24 1.56 -0.39 0.00 0.00 0.00 175.76 174.68 1rdx h VAL 302 N 6.46 0.08 -0.43 0.00 -1.51 -1.76 -1.37 116.25 117.72 1rdx h VAL 302 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1rdx h VAL 302 Cb 1.21 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1rdx h VAL 302 CO 0.97 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 177.49 1rdx n LEU 303 N -3.78 4.26 -3.22 4.19 4.77 -1.26 -4.63 117.00 117.32 1rdx n LEU 303 Ca 0.34 -2.16 -0.24 0.00 -0.03 0.00 0.00 56.01 53.92 1rdx n LEU 303 Cb 1.71 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 42.13 1rdx n LEU 303 CO 0.38 0.54 -0.24 0.47 -1.33 0.00 0.00 177.39 177.21 1rdx n ASP 304 N 0.52 0.69 -4.29 -1.43 9.92 -0.52 -2.65 116.55 118.80 1rdx n ASP 304 Ca 0.20 -2.80 -0.16 0.00 -0.53 0.00 0.00 54.79 51.50 1rdx n ASP 304 Cb 0.88 -0.64 -0.10 0.00 -0.64 0.00 0.00 41.12 40.62 1rdx n ASP 304 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1rdx s ILE 305 N -1.37 1.04 -0.48 0.53 1.01 -1.26 -4.89 121.20 115.78 1rdx s ILE 305 Ca 0.36 -2.04 -0.19 0.00 0.00 0.00 0.00 60.65 58.78 1rdx s ILE 305 Cb 0.17 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1rdx s ILE 305 CO -0.10 -0.50 0.59 -0.69 0.00 0.00 0.00 174.94 174.24 1rdx s VAL 306 N -3.41 4.92 -0.82 2.92 1.01 -1.26 -4.58 120.40 119.18 1rdx s VAL 306 Ca 0.23 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1rdx s VAL 306 Cb 0.05 -4.24 -0.19 0.00 0.00 0.00 0.00 36.38 32.00 1rdx s VAL 306 CO 0.05 -0.71 2.36 -2.65 0.00 0.00 0.00 175.10 174.15 1rdx n PRO 307 N 6.04 0.45 -0.13 2.72 -0.02 -1.26 -4.79 135.00 138.00 1rdx n PRO 307 Ca -0.06 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1rdx n PRO 307 Cb 0.46 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 1rdx n PRO 307 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rdx n THR 308 N 7.89 1.02 0.00 3.45 -2.24 -1.26 -4.75 114.28 118.39 1rdx n THR 308 Ca 0.52 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1rdx n THR 308 Cb 0.36 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1rdx n THR 308 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rdx n ASP 309 N 0.97 0.00 0.08 3.42 2.03 -1.26 -4.95 116.55 116.85 1rdx n ASP 309 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1rdx n ASP 309 Cb 0.38 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 1rdx n ASP 309 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1rdx h ILE 310 N 1.78 0.00 0.00 5.18 3.07 -1.92 -2.88 117.51 122.75 1rdx h ILE 310 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1rdx h ILE 310 Cb 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.55 1rdx h ILE 310 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 1rdx n HIS 311 N -3.17 0.00 -2.26 0.16 8.25 -1.26 -4.49 115.22 112.44 1rdx n HIS 311 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 1rdx n HIS 311 Cb 0.13 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 1rdx n HIS 311 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1rdx s GLN 312 N -1.01 3.64 0.42 -0.41 0.74 -1.09 -4.82 119.66 117.12 1rdx s GLN 312 Ca 0.00 1.72 0.08 0.00 0.05 0.00 0.00 55.36 57.20 1rdx s GLN 312 Cb 0.00 -2.28 -0.01 0.00 1.10 0.00 0.00 33.01 31.81 1rdx s GLN 312 CO 0.00 -0.64 0.41 1.03 -0.55 0.00 0.00 175.29 175.54 1rdx s ARG 313 N -2.88 2.57 -0.03 1.67 0.52 -1.26 -2.41 118.95 117.14 1rdx s ARG 313 Ca 0.66 -1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 1rdx s ARG 313 Cb -0.27 -2.44 0.11 0.00 0.52 0.00 0.00 34.95 32.88 1rdx s ARG 313 CO 0.32 -0.22 1.14 0.00 0.02 0.00 0.00 175.30 176.57 1rdx s ALA 314 N -2.46 -2.02 0.37 2.13 0.00 0.43 -4.65 121.76 115.56 1rdx s ALA 314 Ca 0.49 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 1rdx s ALA 314 Cb -0.04 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1rdx s ALA 314 CO 0.29 -0.88 0.68 -1.25 0.00 0.00 0.00 175.76 174.60 1rdx s PRO 315 N -2.70 3.65 -0.19 0.00 0.04 -1.04 -4.00 135.00 130.77 1rdx s PRO 315 Ca 0.11 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.24 1rdx s PRO 315 Cb 0.01 -2.50 0.08 0.00 0.04 0.00 0.00 34.50 32.12 1rdx s PRO 315 CO -0.04 0.03 0.42 -1.50 0.04 0.00 0.00 177.00 175.95 1rdx s ILE 316 N -2.35 -0.36 -0.23 0.56 2.07 -1.12 -4.00 121.20 115.78 1rdx s ILE 316 Ca 0.47 0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.81 1rdx s ILE 316 Cb -0.10 -0.64 0.08 0.00 0.13 0.00 0.00 42.46 41.92 1rdx s ILE 316 CO 0.34 0.06 0.07 -0.63 -1.91 0.00 0.00 174.94 172.87 1rdx s ILE 317 N 2.06 0.42 0.11 2.00 1.01 0.70 -3.37 121.20 124.13 1rdx s ILE 317 Ca -0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1rdx s ILE 317 Cb -0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1rdx s ILE 317 CO -0.13 -0.41 0.17 -1.48 0.00 0.00 0.00 174.94 173.09 1rdx s LEU 318 N 1.88 1.47 0.00 2.97 0.05 -1.09 -3.27 118.68 120.70 1rdx s LEU 318 Ca 0.03 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.38 1rdx s LEU 318 Cb -0.17 0.88 0.00 0.00 -2.05 0.00 0.00 46.19 44.85 1rdx s LEU 318 CO -0.17 -0.76 0.00 0.61 -0.55 0.00 0.00 176.35 175.48 1rdx n GLY 319 N -0.09 -0.30 3.66 -3.48 0.00 -1.26 -2.30 105.19 101.42 1rdx n GLY 319 Ca -0.11 -0.55 -0.54 0.00 0.00 0.00 0.00 46.02 44.82 1rdx n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rdx n SER 320 N 0.00 2.66 0.00 1.61 7.64 -1.24 -4.30 113.62 119.99 1rdx n SER 320 Ca 0.00 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1rdx n SER 320 Cb 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1rdx n SER 320 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1rdx n PRO 321 N 6.25 0.00 -0.11 1.43 -0.04 -1.25 0.13 135.00 141.41 1rdx n PRO 321 Ca 0.28 0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 63.89 1rdx n PRO 321 Cb 0.19 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.94 1rdx n PRO 321 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rdx n GLU 322 N -1.34 0.52 -0.02 0.54 1.02 -1.24 -4.26 120.64 115.86 1rdx n GLU 322 Ca 0.00 0.17 -0.10 0.00 -0.02 0.00 0.00 57.16 57.21 1rdx n GLU 322 Cb 0.12 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.07 1rdx n GLU 322 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1rdx h ASP 323 N -0.40 -0.07 -0.22 1.62 3.32 0.26 -1.29 116.42 119.63 1rdx h ASP 323 Ca -0.54 -0.55 -0.13 0.00 0.02 0.00 0.00 57.03 55.84 1rdx h ASP 323 Cb 1.64 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 1rdx h ASP 323 CO -0.21 0.64 -0.30 1.62 -1.72 0.00 0.00 179.24 179.27 1rdx h VAL 324 N -0.91 1.28 -0.01 -1.35 3.04 0.88 -2.18 116.25 117.00 1rdx h VAL 324 Ca -0.01 -1.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 1rdx h VAL 324 Cb 0.61 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1rdx h VAL 324 CO 0.01 0.47 0.00 1.07 -1.01 0.00 0.00 177.57 178.11 1rdx n THR 325 N -4.08 0.01 0.05 3.17 5.66 -1.24 -3.19 114.28 114.66 1rdx n THR 325 Ca -0.01 -0.06 -0.03 0.00 -3.05 0.00 0.00 64.05 60.90 1rdx n THR 325 Cb 0.47 -0.24 0.20 0.00 -1.55 0.00 0.00 70.33 69.22 1rdx n THR 325 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1rdx h GLU 326 N 0.53 0.39 -0.01 1.09 4.81 -0.55 -2.72 114.58 118.12 1rdx h GLU 326 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1rdx h GLU 326 Cb 0.11 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1rdx h GLU 326 CO 0.00 0.68 0.19 1.25 -0.73 0.00 0.00 179.01 180.39 1rdx h LEU 327 N 0.34 0.00 -0.14 1.64 5.85 -1.67 -0.91 115.31 120.41 1rdx h LEU 327 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1rdx h LEU 327 Cb 0.75 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1rdx h LEU 327 CO 0.06 0.00 0.09 -0.07 -0.34 0.00 0.00 178.44 178.18 1rdx h LEU 328 N 0.00 0.16 -4.02 2.25 3.38 -1.74 0.81 115.31 116.16 1rdx h LEU 328 Ca 0.00 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1rdx h LEU 328 Cb 0.38 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 40.91 1rdx h LEU 328 CO -0.00 0.12 0.51 -0.62 0.09 0.00 0.00 178.44 178.54 1rdx n GLU 329 N -4.99 2.20 0.06 1.13 1.02 -0.35 0.67 120.64 120.38 1rdx n GLU 329 Ca -0.04 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.89 1rdx n GLU 329 Cb 0.03 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1rdx n GLU 329 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1rdx n ILE 330 N 0.31 0.00 0.01 -3.67 5.41 -0.62 -4.37 119.36 116.43 1rdx n ILE 330 Ca 0.43 0.00 0.07 0.00 1.00 0.00 0.00 62.75 64.25 1rdx n ILE 330 Cb 0.56 -0.46 0.48 0.00 -0.71 0.00 0.00 39.64 39.51 1rdx n ILE 330 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1rdx h TYR 331 N 0.00 0.42 -0.19 1.39 -1.99 0.67 0.21 116.97 117.48 1rdx h TYR 331 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1rdx h TYR 331 Cb 0.00 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.59 1rdx h TYR 331 CO 0.00 0.24 0.00 1.04 -0.00 0.00 0.00 178.16 179.44 1rdx n GLN 332 N -4.48 1.56 -0.14 4.88 6.02 0.21 -3.48 117.38 121.96 1rdx n GLN 332 Ca 0.04 -0.86 -0.27 0.00 -0.01 0.00 0.00 57.00 55.90 1rdx n GLN 332 Cb 0.16 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.03 1rdx n GLN 332 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1rdx n LYS 333 N 0.13 0.60 -1.83 -1.09 4.81 0.58 -4.59 118.16 116.78 1rdx n LYS 333 Ca 0.12 0.24 -0.40 0.00 -0.87 0.00 0.00 58.31 57.41 1rdx n LYS 333 Cb 0.24 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 1rdx n LYS 333 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1rdx n HIS 334 N -4.02 3.17 -3.93 5.64 -0.00 -0.35 -4.81 115.22 110.91 1rdx n HIS 334 Ca -0.52 -2.31 -0.31 0.00 0.46 0.00 0.00 57.72 55.04 1rdx n HIS 334 Cb 0.91 -2.35 -0.14 0.00 -0.12 0.00 0.00 29.99 28.29 1rdx n HIS 334 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rdx s ALA 335 N 5.53 3.31 0.27 1.57 0.00 -1.26 -4.86 121.76 126.32 1rdx s ALA 335 Ca 0.56 -3.25 0.11 0.00 0.00 0.00 0.00 51.96 49.38 1rdx s ALA 335 Cb 0.09 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1rdx s ALA 335 CO 0.05 -2.01 -0.13 0.00 0.00 0.00 0.00 175.76 173.67 1rdx s ALA 336 N -0.23 2.90 0.00 0.00 0.00 -1.26 -5.17 121.76 118.00 1rdx s ALA 336 Ca 0.17 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1rdx s ALA 336 Cb -0.25 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1rdx s ALA 336 CO -0.01 0.28 0.00 0.36 0.00 0.00 0.00 175.76 176.40