#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwx n SER 2 N 0.00 1.82 0.09 7.83 2.88 -1.26 -4.84 113.62 120.15 3hwx n SER 2 Ca 0.00 0.56 -0.04 0.00 -1.33 0.00 0.00 58.87 58.05 3hwx n SER 2 Cb 0.00 -1.16 0.13 0.00 -0.75 0.00 0.00 64.21 62.43 3hwx n SER 2 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3hwx h VAL 3 N 6.85 1.40 -0.13 2.46 2.07 -1.97 -2.94 116.25 123.99 3hwx h VAL 3 Ca -0.25 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.28 3hwx h VAL 3 Cb 1.34 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 33.10 3hwx h VAL 3 CO 1.03 0.59 -0.42 0.28 0.02 0.00 0.00 177.57 179.07 3hwx h SER 4 N 0.14 -1.33 -0.64 0.57 0.02 -1.89 -2.32 113.55 108.10 3hwx h SER 4 Ca -0.01 0.16 0.13 0.00 -0.84 0.00 0.00 61.79 61.23 3hwx h SER 4 Cb 1.11 0.52 -0.12 0.00 0.14 0.00 0.00 62.40 64.05 3hwx h SER 4 CO 0.09 -0.36 -0.14 0.00 -1.14 0.00 0.00 176.83 175.28 3hwx h ALA 5 N -0.54 0.46 -0.23 3.77 0.00 -1.87 -1.85 119.26 118.99 3hwx h ALA 5 Ca 0.03 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3hwx h ALA 5 Cb 0.51 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hwx h ALA 5 CO -0.35 -0.42 -0.16 0.35 0.00 0.00 0.00 179.25 178.67 3hwx h PHE 6 N 0.01 0.61 -0.17 0.00 3.57 -1.48 -2.12 116.94 117.35 3hwx h PHE 6 Ca 0.31 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3hwx h PHE 6 Cb 0.49 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 3hwx h PHE 6 CO -0.50 0.82 -0.31 -0.91 -2.23 0.00 0.00 178.31 175.17 3hwx h ASN 7 N 0.22 -0.99 -0.19 0.41 2.35 -0.77 0.43 115.58 117.04 3hwx h ASN 7 Ca 0.05 0.15 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 3hwx h ASN 7 Cb 0.68 0.43 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 3hwx h ASN 7 CO 0.04 -0.35 0.26 0.03 -1.65 0.00 0.00 177.43 175.77 3hwx h ARG 8 N -0.37 0.00 0.20 0.81 3.08 -1.26 -0.87 114.38 115.98 3hwx h ARG 8 Ca 0.11 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.84 3hwx h ARG 8 Cb 0.54 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.61 3hwx h ARG 8 CO -0.38 0.00 -1.40 0.00 -1.07 0.00 0.00 179.97 177.12 3hwx h ARG 9 N 0.00 0.43 0.05 0.04 2.47 0.40 -2.71 114.38 115.06 3hwx h ARG 9 Ca 0.09 -0.73 -0.00 0.00 -1.26 0.00 0.00 59.98 58.07 3hwx h ARG 9 Cb 0.62 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 3hwx h ARG 9 CO -0.00 1.35 -0.02 2.35 0.56 0.00 0.00 179.97 184.20 3hwx h TRP 10 N 0.12 -0.06 -1.00 3.04 2.91 -0.27 -2.07 115.95 118.60 3hwx h TRP 10 Ca -0.21 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 59.90 3hwx h TRP 10 Cb 2.09 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 30.69 3hwx h TRP 10 CO 0.10 0.30 0.64 0.00 -1.03 0.00 0.00 178.44 178.45 3hwx h ALA 11 N 0.50 1.45 -0.34 2.65 0.00 -1.30 -2.57 119.26 119.64 3hwx h ALA 11 Ca -0.01 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hwx h ALA 11 Cb 0.39 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3hwx h ALA 11 CO 0.01 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.73 3hwx h ALA 12 N 1.49 0.40 -0.28 0.00 0.00 -1.31 -0.31 119.26 119.25 3hwx h ALA 12 Ca 0.46 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.47 3hwx h ALA 12 Cb 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3hwx h ALA 12 CO -0.22 -0.27 -0.08 0.28 0.00 0.00 0.00 179.25 178.96 3hwx h VAL 13 N 0.27 0.70 -0.61 0.00 2.07 -1.00 -1.51 116.25 116.17 3hwx h VAL 13 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 3hwx h VAL 13 Cb 0.12 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3hwx h VAL 13 CO -0.15 0.00 0.29 0.40 0.02 0.00 0.00 177.57 178.13 3hwx h ILE 14 N -0.02 0.88 0.00 4.57 2.04 -1.02 -0.84 117.51 123.13 3hwx h ILE 14 Ca 0.14 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hwx h ILE 14 Cb 0.22 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3hwx h ILE 14 CO -0.29 0.10 -0.15 -0.07 0.00 0.00 0.00 178.15 177.74 3hwx h LEU 15 N 0.53 0.00 0.23 1.44 4.07 -0.68 -3.11 115.31 117.79 3hwx h LEU 15 Ca 0.29 -0.01 -0.34 0.00 0.08 0.00 0.00 57.88 57.89 3hwx h LEU 15 Cb 0.26 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.03 3hwx h LEU 15 CO -0.23 0.01 -1.56 -0.08 -1.08 0.00 0.00 178.44 175.49 3hwx h GLU 16 N 0.00 0.48 -0.68 1.13 4.57 -0.88 -3.24 114.58 115.96 3hwx h GLU 16 Ca 0.00 -0.83 0.14 0.00 -1.18 0.00 0.00 59.36 57.49 3hwx h GLU 16 Cb 0.91 0.31 -0.13 0.00 -0.16 0.00 0.00 28.75 29.68 3hwx h GLU 16 CO 0.00 1.39 -0.15 0.00 -1.18 0.00 0.00 179.01 179.07 3hwx h ALA 17 N 0.16 0.48 0.00 2.92 0.00 -1.09 0.43 119.26 122.16 3hwx h ALA 17 Ca -0.28 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hwx h ALA 17 Cb 2.14 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 20.43 3hwx h ALA 17 CO 0.24 -0.42 -0.05 -0.07 0.00 0.00 0.00 179.25 178.95 3hwx h LEU 18 N 0.01 0.00 -1.77 0.00 3.38 -1.66 -0.05 115.31 115.22 3hwx h LEU 18 Ca 0.33 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.32 3hwx h LEU 18 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hwx h LEU 18 CO -0.69 0.05 0.43 0.74 0.09 0.00 0.00 178.44 179.06 3hwx h THR 19 N 0.00 0.04 -0.02 0.22 2.02 -0.14 -2.83 112.91 112.19 3hwx h THR 19 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hwx h THR 19 Cb 0.33 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3hwx h THR 19 CO 0.01 0.00 -0.35 0.54 0.37 0.00 0.00 175.52 176.09 3hwx n ARG 20 N -2.93 1.51 -0.31 6.66 5.12 -0.03 -4.25 116.66 122.43 3hwx n ARG 20 Ca -0.01 -1.23 0.08 0.00 -1.93 0.00 0.00 57.85 54.77 3hwx n ARG 20 Cb 0.48 -1.46 0.17 0.00 -1.16 0.00 0.00 32.46 30.49 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hwx n HIS 21 N 0.33 0.00 -1.01 -1.55 8.25 -1.09 -4.48 115.22 115.67 3hwx n HIS 21 Ca 0.10 -1.21 -0.00 0.00 -0.26 0.00 0.00 57.72 56.35 3hwx n HIS 21 Cb 0.49 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 3hwx n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwx n GLY 22 N -1.28 0.44 3.61 -1.41 0.00 -1.25 -4.65 105.19 100.64 3hwx n GLY 22 Ca 0.17 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3hwx n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwx s VAL 23 N -2.00 4.06 -0.16 1.61 1.01 -1.09 -4.43 120.40 119.39 3hwx s VAL 23 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 3hwx s VAL 23 Cb 0.00 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 3hwx s VAL 23 CO 0.00 -0.71 -0.18 0.54 0.00 0.00 0.00 175.10 174.75 3hwx n ARG 24 N 7.75 0.36 -3.15 2.72 1.74 -1.26 -4.68 116.66 120.14 3hwx n ARG 24 Ca 0.15 0.13 -0.39 0.00 -0.77 0.00 0.00 57.85 56.96 3hwx n ARG 24 Cb 0.48 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.69 3hwx n ARG 24 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hwx s HIS 25 N -2.30 3.59 -0.06 -1.55 3.76 -1.26 0.72 115.29 118.18 3hwx s HIS 25 Ca -0.22 1.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.87 3hwx s HIS 25 Cb 0.07 -2.70 0.01 0.00 1.11 0.00 0.00 32.58 31.08 3hwx s HIS 25 CO 0.32 0.17 -0.13 -1.50 -0.85 0.00 0.00 174.74 172.75 3hwx s ILE 26 N 0.51 1.15 -0.08 0.60 2.07 -0.41 -2.26 121.20 122.78 3hwx s ILE 26 Ca 0.33 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3hwx s ILE 26 Cb -0.17 -1.04 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 3hwx s ILE 26 CO 0.16 0.36 -0.07 0.00 -1.91 0.00 0.00 174.94 173.48 3hwx s ILE 28 N -0.66 0.13 0.21 0.00 1.01 0.87 -1.64 121.20 121.13 3hwx s ILE 28 Ca 0.10 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.89 3hwx s ILE 28 Cb -0.11 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3hwx s ILE 28 CO 0.02 0.12 0.15 0.00 0.00 0.00 0.00 174.94 175.22 3hwx s ALA 29 N 0.84 3.53 0.45 9.38 0.00 -1.17 -1.77 121.76 133.03 3hwx s ALA 29 Ca -0.08 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 3hwx s ALA 29 Cb -0.11 -1.28 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 3hwx s ALA 29 CO -0.02 0.37 1.01 -1.25 0.00 0.00 0.00 175.76 175.87 3hwx s PRO 30 N -3.49 4.01 0.11 0.00 0.04 -1.26 -4.78 135.00 129.64 3hwx s PRO 30 Ca 0.32 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 3hwx s PRO 30 Cb -0.09 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.33 3hwx s PRO 30 CO 0.24 -0.24 1.08 0.20 0.04 0.00 0.00 177.00 178.31 3hwx s GLY 31 N -1.97 -0.17 -0.13 0.56 0.00 -1.26 -4.62 107.32 99.72 3hwx s GLY 31 Ca 0.64 0.12 -0.10 0.00 0.00 0.00 0.00 44.72 45.37 3hwx s GLY 31 CO 0.19 1.03 -0.20 -1.26 0.00 0.00 0.00 173.10 172.86 3hwx n SER 32 N -0.72 1.60 0.12 1.64 2.88 -1.26 -4.30 113.62 113.57 3hwx n SER 32 Ca -0.05 0.49 0.18 0.00 -1.33 0.00 0.00 58.87 58.15 3hwx n SER 32 Cb 0.61 -0.78 0.56 0.00 -0.75 0.00 0.00 64.21 63.85 3hwx n SER 32 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3hwx h ARG 33 N -0.87 0.00 0.00 -1.46 9.65 -1.97 0.09 114.38 119.83 3hwx h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3hwx h ARG 33 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3hwx h ARG 33 CO 0.00 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.43 3hwx h SER 34 N 0.00 0.00 -0.89 -3.80 4.64 -1.84 -3.40 113.55 108.25 3hwx h SER 34 Ca 0.19 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.75 3hwx h SER 34 Cb 1.59 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.54 3hwx h SER 34 CO -0.00 0.00 0.28 0.74 -0.87 0.00 0.00 176.83 176.98 3hwx h THR 35 N 0.00 0.32 -0.63 2.95 2.02 -1.16 0.29 112.91 116.70 3hwx h THR 35 Ca 0.00 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.18 3hwx h THR 35 Cb 0.66 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 3hwx h THR 35 CO 0.00 0.04 0.31 -0.07 0.37 0.00 0.00 175.52 176.17 3hwx h LEU 36 N 0.23 0.40 -0.05 2.58 3.38 -1.83 -2.03 115.31 117.99 3hwx h LEU 36 Ca 0.57 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.50 3hwx h LEU 36 Cb 1.18 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.92 3hwx h LEU 36 CO -0.65 0.25 -0.35 -0.07 0.09 0.00 0.00 178.44 177.71 3hwx h LEU 37 N 0.55 0.40 -0.06 1.67 3.38 -0.78 -2.69 115.31 117.78 3hwx h LEU 37 Ca 0.30 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3hwx h LEU 37 Cb 0.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hwx h LEU 37 CO -0.24 1.01 -0.01 0.74 0.09 0.00 0.00 178.44 180.04 3hwx h THR 38 N -0.19 1.28 -0.57 0.22 2.02 -1.09 0.50 112.91 115.08 3hwx h THR 38 Ca -0.03 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.36 3hwx h THR 38 Cb 1.02 1.73 -0.10 0.00 -1.74 0.00 0.00 68.15 69.07 3hwx h THR 38 CO 0.07 0.23 -0.53 -0.07 0.37 0.00 0.00 175.52 175.60 3hwx h LEU 39 N -0.21 -1.81 -0.65 2.58 3.38 -1.50 0.87 115.31 117.97 3hwx h LEU 39 Ca 0.02 0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.35 3hwx h LEU 39 Cb 0.38 0.77 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 3hwx h LEU 39 CO 0.00 -0.35 0.25 0.00 0.09 0.00 0.00 178.44 178.43 3hwx h ALA 40 N 0.26 0.86 -0.52 1.53 0.00 -1.12 0.21 119.26 120.47 3hwx h ALA 40 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hwx h ALA 40 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hwx h ALA 40 CO -0.69 -0.18 0.19 0.00 0.00 0.00 0.00 179.25 178.57 3hwx h ALA 41 N 1.45 0.68 -0.36 0.00 0.00 -0.45 -3.07 119.26 117.50 3hwx h ALA 41 Ca 0.33 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hwx h ALA 41 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hwx h ALA 41 CO -0.33 0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.18 3hwx h ALA 42 N 1.04 1.22 -0.00 0.00 0.00 0.34 -3.00 119.26 118.86 3hwx h ALA 42 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 42 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hwx h ALA 42 CO -0.01 0.51 -0.20 0.39 0.00 0.00 0.00 179.25 179.94 3hwx n GLU 43 N -4.22 0.58 -3.62 0.00 1.02 0.45 -4.78 120.64 110.06 3hwx n GLU 43 Ca 0.01 -0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 56.51 3hwx n GLU 43 Cb 0.30 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.11 3hwx n GLU 43 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hwx s ASN 44 N -2.60 5.74 0.00 1.62 3.84 -1.14 -4.97 114.94 117.44 3hwx s ASN 44 Ca 0.24 -0.26 0.28 0.00 0.21 0.00 0.00 52.86 53.33 3hwx s ASN 44 Cb 0.19 -2.06 1.14 0.00 -0.55 0.00 0.00 41.25 39.98 3hwx s ASN 44 CO 0.53 -0.12 1.81 -1.54 -2.79 0.00 0.00 177.10 174.99 3hwx n SER 45 N 5.02 0.46 0.05 -4.21 3.41 -1.26 -3.39 113.62 113.70 3hwx n SER 45 Ca -0.14 -0.47 0.05 0.00 -0.26 0.00 0.00 58.87 58.05 3hwx n SER 45 Cb 0.51 -0.07 0.25 0.00 -0.26 0.00 0.00 64.21 64.63 3hwx n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n ALA 46 N -1.03 1.18 -2.72 7.33 0.00 -1.26 -4.81 120.51 119.21 3hwx n ALA 46 Ca 0.13 0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 3hwx n ALA 46 Cb 0.29 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 3hwx n ALA 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hwx s PHE 47 N -3.17 3.02 -0.27 0.00 0.08 -1.22 -4.74 117.98 111.68 3hwx s PHE 47 Ca 0.01 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.92 3hwx s PHE 47 Cb 0.04 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 3hwx s PHE 47 CO 0.13 0.51 0.14 0.42 -0.10 0.00 0.00 175.22 176.32 3hwx s ILE 48 N -1.56 4.85 -0.19 0.64 1.01 0.22 -5.00 121.20 121.18 3hwx s ILE 48 Ca 0.28 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.75 3hwx s ILE 48 Cb -0.11 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3hwx s ILE 48 CO 0.20 0.27 0.43 -1.00 0.00 0.00 0.00 174.94 174.84 3hwx s HIS 49 N 1.69 3.40 0.14 3.97 3.76 -1.26 -1.29 115.29 125.70 3hwx s HIS 49 Ca 0.07 0.69 0.11 0.00 -0.15 0.00 0.00 55.06 55.77 3hwx s HIS 49 Cb -0.16 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.95 3hwx s HIS 49 CO 0.08 0.02 -0.26 -1.01 -0.85 0.00 0.00 174.74 172.71 3hwx s HIS 50 N 1.21 2.30 0.07 1.40 3.76 0.43 -4.97 115.29 119.49 3hwx s HIS 50 Ca 0.21 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3hwx s HIS 50 Cb -0.15 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 3hwx s HIS 50 CO 0.08 0.37 -0.07 0.95 -0.85 0.00 0.00 174.74 175.22 3hwx s THR 51 N -1.19 0.61 0.23 1.30 -4.23 -1.26 -0.09 115.64 111.01 3hwx s THR 51 Ca 0.15 -1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 58.93 3hwx s THR 51 Cb -0.10 -1.15 0.04 0.00 1.34 0.00 0.00 72.50 72.63 3hwx s THR 51 CO 0.07 -0.63 0.71 -2.28 -0.54 0.00 0.00 174.62 171.95 3hwx s HIS 52 N -2.52 -0.28 -0.70 3.99 2.46 -0.73 -4.91 115.29 112.60 3hwx s HIS 52 Ca 0.01 -0.09 0.16 0.00 0.47 0.00 0.00 55.06 55.61 3hwx s HIS 52 Cb -0.02 0.66 -0.18 0.00 -0.13 0.00 0.00 32.58 32.91 3hwx s HIS 52 CO -0.02 -1.09 0.66 1.97 -2.47 0.00 0.00 174.74 173.79 3hwx n PHE 53 N -0.43 0.00 -3.75 3.88 1.16 -1.26 -4.00 117.46 113.06 3hwx n PHE 53 Ca -0.08 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.14 3hwx n PHE 53 Cb 0.61 -0.03 -0.11 0.00 -1.61 0.00 0.00 39.48 38.33 3hwx n PHE 53 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3hwx s ASP 54 N -2.64 5.29 0.54 5.98 -1.08 -1.26 -4.92 116.67 118.58 3hwx s ASP 54 Ca 0.05 -2.13 0.33 0.00 -0.52 0.00 0.00 52.55 50.28 3hwx s ASP 54 Cb 0.12 -1.85 1.50 0.00 -1.46 0.00 0.00 42.92 41.23 3hwx s ASP 54 CO 0.66 -0.53 1.86 -0.33 0.52 0.00 0.00 175.17 177.35 3hwx h GLU 55 N 7.95 0.01 -0.30 4.34 3.07 -1.88 1.45 114.58 129.22 3hwx h GLU 55 Ca -0.12 -0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.56 3hwx h GLU 55 Cb 1.04 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3hwx h GLU 55 CO 0.71 0.01 -0.50 -0.09 -1.40 0.00 0.00 179.01 177.75 3hwx h ARG 56 N 0.01 0.87 -0.32 2.33 2.43 -1.84 -1.44 114.38 116.42 3hwx h ARG 56 Ca 0.48 -0.53 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3hwx h ARG 56 Cb 1.89 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3hwx h ARG 56 CO -0.01 1.17 -0.36 0.78 -1.51 0.00 0.00 179.97 180.04 3hwx h GLY 57 N 0.66 0.88 -0.12 2.80 0.00 0.15 -2.63 103.07 104.82 3hwx h GLY 57 Ca 0.02 -0.93 0.09 0.00 0.00 0.00 0.00 47.33 46.52 3hwx h GLY 57 CO 0.11 0.84 -0.23 -2.00 0.00 0.00 0.00 176.54 175.26 3hwx h LEU 58 N 0.59 -0.78 -0.49 3.11 5.85 -0.33 0.21 115.31 123.46 3hwx h LEU 58 Ca 0.05 0.18 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3hwx h LEU 58 Cb 0.95 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 3hwx h LEU 58 CO 0.09 -0.25 0.09 1.23 -0.34 0.00 0.00 178.44 179.26 3hwx h GLY 59 N -0.13 0.59 2.00 3.75 0.00 -1.03 0.24 103.07 108.49 3hwx h GLY 59 Ca 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 3hwx h GLY 59 CO -0.54 -0.07 -0.19 0.45 0.00 0.00 0.00 176.54 176.18 3hwx h HIS 60 N 0.23 0.00 -0.38 5.60 3.86 -1.09 -0.42 115.15 122.94 3hwx h HIS 60 Ca 0.25 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 3hwx h HIS 60 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3hwx h HIS 60 CO -0.23 0.19 0.01 1.25 0.86 0.00 0.00 177.93 180.01 3hwx h LEU 61 N 0.00 0.65 0.32 2.43 5.85 0.15 -0.62 115.31 124.10 3hwx h LEU 61 Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3hwx h LEU 61 Cb 0.62 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hwx h LEU 61 CO 0.02 0.80 -0.16 0.00 -0.34 0.00 0.00 178.44 178.77 3hwx h ALA 62 N 0.88 -0.43 -0.75 1.25 0.00 -0.60 -1.94 119.26 117.67 3hwx h ALA 62 Ca 0.11 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3hwx h ALA 62 Cb 0.46 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3hwx h ALA 62 CO 0.02 -0.66 -0.44 -0.11 0.00 0.00 0.00 179.25 178.06 3hwx n LEU 63 N -5.21 -0.79 -0.06 0.00 7.94 -0.21 0.11 117.00 118.78 3hwx n LEU 63 Ca -0.10 1.43 -0.09 0.00 -1.11 0.00 0.00 56.01 56.14 3hwx n LEU 63 Cb 0.24 -0.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.94 3hwx n LEU 63 CO 0.34 -1.13 0.67 1.23 -1.11 0.00 0.00 177.39 177.38 3hwx h GLY 64 N 0.00 -0.26 -0.06 -3.96 0.00 -1.01 0.10 103.07 97.89 3hwx h GLY 64 Ca 0.12 0.36 0.08 0.00 0.00 0.00 0.00 47.33 47.89 3hwx h GLY 64 CO -0.70 -0.21 -0.24 1.41 0.00 0.00 0.00 176.54 176.80 3hwx h LEU 65 N -0.29 -0.81 -0.95 3.11 3.38 -0.50 -2.32 115.31 116.94 3hwx h LEU 65 Ca 0.14 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 3hwx h LEU 65 Cb 0.51 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3hwx h LEU 65 CO -0.42 -0.26 -0.19 0.00 0.09 0.00 0.00 178.44 177.66 3hwx h ALA 66 N 1.02 1.11 -0.06 1.53 0.00 0.28 0.04 119.26 123.18 3hwx h ALA 66 Ca 0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hwx h ALA 66 Cb 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hwx h ALA 66 CO -0.50 0.55 0.04 -0.22 0.00 0.00 0.00 179.25 179.11 3hwx h LYS 67 N 0.50 0.09 0.00 0.00 3.64 -0.29 0.02 116.57 120.53 3hwx h LYS 67 Ca 0.08 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 3hwx h LYS 67 Cb 0.60 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3hwx h LYS 67 CO 0.04 0.11 -0.57 0.28 -2.27 0.00 0.00 179.45 177.04 3hwx h VAL 68 N 0.03 1.44 0.00 2.00 2.07 -1.33 -3.36 116.25 117.11 3hwx h VAL 68 Ca 0.02 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.44 3hwx h VAL 68 Cb 0.05 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3hwx h VAL 68 CO -0.00 0.60 -0.09 0.77 0.02 0.00 0.00 177.57 178.87 3hwx h SER 69 N -0.16 0.00 -1.88 0.57 4.64 -0.96 -3.46 113.55 112.30 3hwx h SER 69 Ca -0.07 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.89 3hwx h SER 69 Cb 1.29 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 3hwx h SER 69 CO 0.11 0.09 -0.37 0.29 -0.87 0.00 0.00 176.83 176.08 3hwx n LYS 70 N -3.13 -1.56 -3.88 4.77 4.76 -0.01 -4.99 118.16 114.13 3hwx n LYS 70 Ca 0.03 0.99 -0.28 0.00 -2.87 0.00 0.00 58.31 56.18 3hwx n LYS 70 Cb 0.54 -5.43 -0.03 0.00 -1.84 0.00 0.00 35.03 28.27 3hwx n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hwx s GLN 71 N -4.03 3.46 0.39 1.97 -0.21 -1.26 -5.01 119.66 114.97 3hwx s GLN 71 Ca 0.00 -0.49 -0.27 0.00 0.02 0.00 0.00 55.36 54.62 3hwx s GLN 71 Cb 0.00 -2.95 -0.11 0.00 1.00 0.00 0.00 33.01 30.95 3hwx s GLN 71 CO 0.00 0.52 1.45 -0.35 -2.12 0.00 0.00 175.29 174.79 3hwx n PRO 72 N -0.34 2.53 -5.06 2.91 -0.04 -1.26 -4.52 135.00 129.21 3hwx n PRO 72 Ca -0.06 0.89 -0.30 0.00 -0.04 0.00 0.00 63.50 63.99 3hwx n PRO 72 Cb 0.53 -2.62 -0.17 0.00 -0.04 0.00 0.00 33.50 31.20 3hwx n PRO 72 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hwx s VAL 73 N -1.13 1.85 0.11 0.52 1.01 -0.52 -4.23 120.40 118.01 3hwx s VAL 73 Ca 0.55 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3hwx s VAL 73 Cb -0.48 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3hwx s VAL 73 CO 0.62 0.51 0.48 0.00 0.00 0.00 0.00 175.10 176.71 3hwx s ALA 74 N 0.43 3.65 -0.01 5.51 0.00 -0.96 0.60 121.76 130.98 3hwx s ALA 74 Ca -0.18 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3hwx s ALA 74 Cb -0.17 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 3hwx s ALA 74 CO 0.08 0.50 -0.19 0.08 0.00 0.00 0.00 175.76 176.23 3hwx s VAL 75 N -1.40 1.51 -0.15 0.00 1.01 0.40 -1.37 120.40 120.41 3hwx s VAL 75 Ca 0.35 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hwx s VAL 75 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3hwx s VAL 75 CO 0.18 0.40 -0.19 -0.63 0.00 0.00 0.00 175.10 174.86 3hwx s ILE 76 N -0.49 1.87 0.40 2.22 1.01 -0.65 0.14 121.20 125.70 3hwx s ILE 76 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.93 3hwx s ILE 76 Cb -0.07 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 3hwx s ILE 76 CO -0.00 0.51 0.04 0.68 0.00 0.00 0.00 174.94 176.16 3hwx s VAL 77 N 1.10 1.45 0.74 2.92 -7.23 -1.09 -3.03 120.40 115.25 3hwx s VAL 77 Ca -0.01 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 3hwx s VAL 77 Cb -0.14 -2.73 0.11 0.00 0.56 0.00 0.00 36.38 34.18 3hwx s VAL 77 CO -0.07 0.00 1.02 0.28 -0.31 0.00 0.00 175.10 176.03 3hwx s THR 78 N -2.98 2.21 0.79 5.32 -1.32 -1.26 -1.95 115.64 116.44 3hwx s THR 78 Ca 0.30 -0.45 -0.11 0.00 -1.21 0.00 0.00 61.69 60.22 3hwx s THR 78 Cb 0.07 -2.76 0.07 0.00 -1.51 0.00 0.00 72.50 68.37 3hwx s THR 78 CO 0.14 0.00 1.12 -0.94 -2.21 0.00 0.00 174.62 172.73 3hwx s SER 79 N -4.68 4.19 0.00 8.08 1.04 -1.00 -4.06 113.70 117.26 3hwx s SER 79 Ca 0.65 1.97 0.00 0.00 0.48 0.00 0.00 55.95 59.06 3hwx s SER 79 Cb -0.07 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3hwx s SER 79 CO 0.45 -2.25 0.00 0.61 0.98 0.00 0.00 173.24 173.03 3hwx n GLY 80 N -0.66 0.08 0.37 7.32 0.00 -1.26 -4.27 105.19 106.78 3hwx n GLY 80 Ca 0.10 -1.84 0.17 0.00 0.00 0.00 0.00 46.02 44.45 3hwx n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hwx h THR 81 N 0.00 0.79 -0.81 2.61 1.35 -1.92 -1.08 112.91 113.86 3hwx h THR 81 Ca 0.00 -0.07 0.20 0.00 -0.55 0.00 0.00 66.41 65.99 3hwx h THR 81 Cb 0.00 0.57 -0.14 0.00 -1.73 0.00 0.00 68.15 66.85 3hwx h THR 81 CO 0.00 0.04 0.11 0.00 -0.25 0.00 0.00 175.52 175.41 3hwx h ALA 82 N 1.71 1.00 -0.65 6.62 0.00 -1.82 -0.23 119.26 125.89 3hwx h ALA 82 Ca 0.29 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 3hwx h ALA 82 Cb 0.85 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3hwx h ALA 82 CO -0.05 -0.44 0.32 0.28 0.00 0.00 0.00 179.25 179.37 3hwx h VAL 83 N 0.15 1.22 -0.30 0.00 2.07 -1.33 -2.77 116.25 115.29 3hwx h VAL 83 Ca 0.47 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3hwx h VAL 83 Cb 0.89 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3hwx h VAL 83 CO -0.66 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 177.14 3hwx h ALA 84 N 1.15 1.38 0.00 1.67 0.00 -1.09 -1.02 119.26 121.34 3hwx h ALA 84 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hwx h ALA 84 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hwx h ALA 84 CO -0.03 0.43 0.12 -0.91 0.00 0.00 0.00 179.25 178.85 3hwx h ASN 85 N 0.45 0.00 0.67 0.00 2.35 -1.08 -1.19 115.58 116.79 3hwx h ASN 85 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hwx h ASN 85 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3hwx h ASN 85 CO 0.01 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 3hwx n LEU 86 N -2.37 0.00 -0.03 1.61 4.77 -0.39 -3.03 117.00 117.56 3hwx n LEU 86 Ca -0.02 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3hwx n LEU 86 Cb 0.15 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3hwx n LEU 86 CO 0.10 -0.01 0.74 0.22 -1.33 0.00 0.00 177.39 177.11 3hwx h TYR 87 N 0.00 0.21 0.25 -1.77 5.03 -1.37 -2.05 116.97 117.26 3hwx h TYR 87 Ca 0.00 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 3hwx h TYR 87 Cb 0.34 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 3hwx h TYR 87 CO 0.00 0.43 -0.43 -1.35 -1.32 0.00 0.00 178.16 175.49 3hwx h PRO 88 N -0.08 -0.70 -0.99 1.82 0.11 -1.82 0.33 132.00 130.68 3hwx h PRO 88 Ca 0.03 0.05 0.22 0.00 0.11 0.00 0.00 66.00 66.41 3hwx h PRO 88 Cb 0.35 0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.53 3hwx h PRO 88 CO 0.01 -0.46 0.63 0.00 -0.21 0.00 0.00 178.00 177.96 3hwx h ALA 89 N -0.87 2.02 -0.16 -0.75 0.00 -1.85 -0.24 119.26 117.41 3hwx h ALA 89 Ca -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hwx h ALA 89 Cb 0.67 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hwx h ALA 89 CO -0.15 -0.38 -0.12 1.25 0.00 0.00 0.00 179.25 179.84 3hwx h LEU 90 N 0.53 0.39 -0.35 0.00 5.85 -0.30 0.38 115.31 121.82 3hwx h LEU 90 Ca 0.56 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3hwx h LEU 90 Cb 1.19 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 3hwx h LEU 90 CO -0.30 0.76 -0.03 0.40 -0.34 0.00 0.00 178.44 178.94 3hwx h ILE 91 N 0.03 0.71 -0.25 4.05 2.04 0.13 0.23 117.51 124.44 3hwx h ILE 91 Ca 0.03 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3hwx h ILE 91 Cb 0.63 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3hwx h ILE 91 CO 0.03 0.01 0.15 -0.08 0.00 0.00 0.00 178.15 178.27 3hwx h GLU 92 N 0.07 0.30 -0.53 2.37 4.57 -1.13 -2.19 114.58 118.03 3hwx h GLU 92 Ca 0.17 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 3hwx h GLU 92 Cb 0.25 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3hwx h GLU 92 CO -0.31 0.20 0.28 0.00 -1.18 0.00 0.00 179.01 178.00 3hwx h ALA 93 N 1.11 0.68 0.00 2.92 0.00 -0.24 0.52 119.26 124.25 3hwx h ALA 93 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hwx h ALA 93 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hwx h ALA 93 CO -0.04 -0.04 0.23 0.78 0.00 0.00 0.00 179.25 180.18 3hwx h GLY 94 N 0.55 0.00 0.00 0.00 0.00 -0.05 0.36 103.07 103.94 3hwx h GLY 94 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.20 3hwx h GLY 94 CO -0.14 0.00 -2.35 1.04 0.00 0.00 0.00 176.54 175.08 3hwx n LEU 95 N -2.83 2.92 0.02 3.11 4.77 -0.54 -4.69 117.00 119.77 3hwx n LEU 95 Ca -0.02 -0.11 0.11 0.00 -0.03 0.00 0.00 56.01 55.96 3hwx n LEU 95 Cb 0.28 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.48 3hwx n LEU 95 CO 0.14 0.88 -0.28 0.35 -1.33 0.00 0.00 177.39 177.16 3hwx n THR 96 N -3.24 0.17 0.00 -5.08 -2.24 0.17 -4.99 114.28 99.08 3hwx n THR 96 Ca -0.42 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3hwx n THR 96 Cb 0.94 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 3hwx n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 97 N 1.31 0.57 3.54 3.38 0.00 0.12 -4.94 105.19 109.18 3hwx n GLY 97 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 3hwx n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hwx n GLU 98 N -1.27 0.76 -3.22 1.61 4.71 -1.24 -3.37 120.64 118.62 3hwx n GLU 98 Ca 0.00 0.27 -0.41 0.00 -0.01 0.00 0.00 57.16 57.01 3hwx n GLU 98 Cb 0.00 -1.73 -0.08 0.00 -1.01 0.00 0.00 31.44 28.62 3hwx n GLU 98 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3hwx s LYS 99 N -0.23 3.62 -0.16 3.49 1.02 -1.25 -1.84 119.74 124.38 3hwx s LYS 99 Ca 0.78 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.64 3hwx s LYS 99 Cb -0.97 -3.81 0.00 0.00 -0.52 0.00 0.00 37.83 32.53 3hwx s LYS 99 CO 0.53 -0.67 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.61 3hwx s LEU 100 N 2.45 2.36 -0.44 3.17 1.43 -1.23 -1.43 118.68 124.99 3hwx s LEU 100 Ca 0.20 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 3hwx s LEU 100 Cb -0.15 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.58 3hwx s LEU 100 CO 0.14 0.06 0.34 -0.63 0.23 0.00 0.00 176.35 176.49 3hwx s ILE 101 N 0.98 5.21 -0.55 -0.59 -1.09 0.20 -0.01 121.20 125.34 3hwx s ILE 101 Ca -0.02 -0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 57.34 3hwx s ILE 101 Cb -0.15 -4.01 0.11 0.00 -1.58 0.00 0.00 42.46 36.83 3hwx s ILE 101 CO -0.03 -0.45 0.56 -0.76 -1.23 0.00 0.00 174.94 173.03 3hwx s LEU 102 N 1.65 5.75 -0.61 2.97 1.43 0.15 0.15 118.68 130.18 3hwx s LEU 102 Ca 0.04 -1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 51.46 3hwx s LEU 102 Cb -0.22 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 43.90 3hwx s LEU 102 CO 0.08 -0.92 0.54 -0.76 0.23 0.00 0.00 176.35 175.53 3hwx s LEU 103 N 2.05 6.23 -0.38 1.79 1.43 0.12 0.18 118.68 130.09 3hwx s LEU 103 Ca 0.07 -2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 50.95 3hwx s LEU 103 Cb -0.26 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3hwx s LEU 103 CO 0.05 -0.74 0.26 0.42 0.23 0.00 0.00 176.35 176.57 3hwx s THR 104 N 1.13 5.07 0.60 5.49 -4.23 -0.72 -2.68 115.64 120.29 3hwx s THR 104 Ca 0.08 -0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 3hwx s THR 104 Cb -0.24 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 3hwx s THR 104 CO -0.01 -0.22 1.14 0.00 -0.54 0.00 0.00 174.62 174.99 3hwx s ALA 105 N 1.65 2.57 0.09 3.99 0.00 -0.82 -1.74 121.76 127.50 3hwx s ALA 105 Ca 0.04 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 3hwx s ALA 105 Cb -0.19 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3hwx s ALA 105 CO 0.09 -1.04 0.15 0.34 0.00 0.00 0.00 175.76 175.30 3hwx s ASP 106 N -2.00 0.18 0.69 0.00 -1.08 -0.87 -2.38 116.67 111.20 3hwx s ASP 106 Ca 0.72 -0.73 -0.13 0.00 -0.52 0.00 0.00 52.55 51.89 3hwx s ASP 106 Cb -0.24 0.32 0.01 0.00 -1.46 0.00 0.00 42.92 41.55 3hwx s ASP 106 CO 0.33 -0.71 1.09 -0.13 0.52 0.00 0.00 175.17 176.26 3hwx s ARG 107 N -3.88 2.76 1.08 4.34 1.81 -1.26 -1.51 118.95 122.29 3hwx s ARG 107 Ca 0.06 1.22 -0.15 0.00 -1.72 0.00 0.00 55.73 55.14 3hwx s ARG 107 Cb 0.05 -1.96 0.23 0.00 -0.45 0.00 0.00 34.95 32.83 3hwx s ARG 107 CO -0.10 -1.26 1.09 -1.25 -0.68 0.00 0.00 175.30 173.10 3hwx s PRO 108 N -4.49 -0.22 0.46 3.54 0.04 -1.25 -4.45 135.00 128.63 3hwx s PRO 108 Ca 0.63 0.34 0.16 0.00 0.04 0.00 0.00 61.00 62.17 3hwx s PRO 108 Cb -0.18 -1.68 1.07 0.00 0.04 0.00 0.00 34.50 33.76 3hwx s PRO 108 CO 0.47 -3.13 2.01 -1.00 0.04 0.00 0.00 177.00 175.39 3hwx h PRO 109 N -2.17 0.00 0.00 0.56 0.13 -1.97 -2.53 132.00 126.02 3hwx h PRO 109 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3hwx h PRO 109 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3hwx h PRO 109 CO 0.51 0.16 0.32 0.93 -0.23 0.00 0.00 178.00 179.69 3hwx h GLU 110 N 0.00 0.00 -0.15 0.86 3.07 -2.03 -1.36 114.58 114.97 3hwx h GLU 110 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hwx h GLU 110 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3hwx h GLU 110 CO 0.02 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.91 3hwx n LEU 111 N -2.76 2.25 -4.87 1.33 4.77 -0.95 -4.94 117.00 111.83 3hwx n LEU 111 Ca -0.02 -1.70 -0.35 0.00 -0.03 0.00 0.00 56.01 53.91 3hwx n LEU 111 Cb 0.36 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3hwx n LEU 111 CO 0.12 0.54 0.05 -0.63 -1.33 0.00 0.00 177.39 176.15 3hwx s ILE 112 N -0.87 5.13 -1.54 -0.08 -1.09 -0.52 -4.25 121.20 117.98 3hwx s ILE 112 Ca 0.12 0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 58.85 3hwx s ILE 112 Cb 0.07 -3.64 0.09 0.00 -1.58 0.00 0.00 42.46 37.40 3hwx s ILE 112 CO 0.09 0.33 0.90 0.47 -1.23 0.00 0.00 174.94 175.51 3hwx n ASP 113 N 1.04 -4.06 -1.39 3.58 8.00 -1.26 -4.92 116.55 117.54 3hwx n ASP 113 Ca -0.09 -0.84 0.04 0.00 0.71 0.00 0.00 54.79 54.61 3hwx n ASP 113 Cb 0.52 -3.65 0.02 0.00 -0.02 0.00 0.00 41.12 37.99 3hwx n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hwx n GLY 115 N 0.44 0.42 3.77 0.00 0.00 -1.26 -5.00 105.19 103.56 3hwx n GLY 115 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3hwx n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx s ALA 116 N -2.17 3.41 0.30 4.61 0.00 -1.26 -4.96 121.76 121.68 3hwx s ALA 116 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 3hwx s ALA 116 Cb 0.00 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 3hwx s ALA 116 CO 0.00 -1.12 1.54 -1.71 0.00 0.00 0.00 175.76 174.47 3hwx n ASN 117 N 0.13 3.65 -1.27 0.00 2.85 -1.26 -3.34 115.26 116.01 3hwx n ASN 117 Ca 0.03 1.16 -0.14 0.00 -0.11 0.00 0.00 54.58 55.52 3hwx n ASN 117 Cb 0.41 -1.57 -0.04 0.00 1.24 0.00 0.00 39.78 39.82 3hwx n ASN 117 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3hwx n GLN 118 N 1.85 -1.02 -3.77 1.20 7.27 -1.26 -4.96 117.38 116.69 3hwx n GLN 118 Ca 0.08 0.86 -0.36 0.00 0.07 0.00 0.00 57.00 57.65 3hwx n GLN 118 Cb 0.36 -5.03 -0.12 0.00 2.41 0.00 0.00 30.24 27.87 3hwx n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hwx s ALA 119 N -2.59 3.14 0.29 1.69 0.00 -1.21 -4.11 121.76 118.97 3hwx s ALA 119 Ca 0.00 -2.43 0.09 0.00 0.00 0.00 0.00 51.96 49.62 3hwx s ALA 119 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 3hwx s ALA 119 CO 0.00 -1.74 0.00 0.96 0.00 0.00 0.00 175.76 174.98 3hwx s ILE 120 N 1.18 3.18 -0.32 0.00 -4.36 -1.26 -4.67 121.20 114.95 3hwx s ILE 120 Ca 0.06 -1.93 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 3hwx s ILE 120 Cb -0.23 -2.81 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 3hwx s ILE 120 CO -0.03 -0.32 1.62 -0.13 0.24 0.00 0.00 174.94 176.32 3hwx s ARG 121 N -3.69 3.55 -0.13 0.37 0.52 -1.26 -4.88 118.95 113.42 3hwx s ARG 121 Ca 0.33 1.34 0.02 0.00 -0.52 0.00 0.00 55.73 56.90 3hwx s ARG 121 Cb -0.05 -4.09 -0.09 0.00 0.52 0.00 0.00 34.95 31.24 3hwx s ARG 121 CO 0.20 -1.60 -0.10 1.04 0.02 0.00 0.00 175.30 174.86 3hwx n GLN 122 N 8.09 0.57 -1.79 3.54 6.02 -1.26 -4.75 117.38 127.79 3hwx n GLN 122 Ca 0.20 0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.84 3hwx n GLN 122 Cb 0.47 -1.26 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 3hwx n GLN 122 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3hwx s PRO 123 N -2.26 4.11 0.00 -1.09 0.02 -1.26 -1.56 135.00 132.97 3hwx s PRO 123 Ca -0.16 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3hwx s PRO 123 Cb 0.04 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3hwx s PRO 123 CO 0.32 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3hwx n GLY 124 N 1.27 0.77 0.22 0.52 0.00 -1.26 -4.96 105.19 101.75 3hwx n GLY 124 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3hwx n GLY 124 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3hwx h MET 125 N 2.49 0.60 -0.41 1.61 2.86 -1.58 -1.50 114.93 119.00 3hwx h MET 125 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hwx h MET 125 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3hwx h MET 125 CO 0.00 0.40 0.00 1.19 1.06 0.00 0.00 176.91 179.56 3hwx n PHE 126 N -4.80 0.55 0.00 -0.22 3.72 -1.26 -5.00 117.46 110.44 3hwx n PHE 126 Ca 0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3hwx n PHE 126 Cb 0.09 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3hwx n PHE 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hwx n ALA 127 N 0.57 0.00 -0.09 4.37 0.00 -0.57 -1.07 120.51 123.71 3hwx n ALA 127 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 3hwx n ALA 127 Cb 0.35 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.96 3hwx n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hwx n SER 128 N 3.64 3.48 0.05 0.00 3.41 -1.26 -4.42 113.62 118.52 3hwx n SER 128 Ca 0.00 -2.67 -0.22 0.00 -0.26 0.00 0.00 58.87 55.72 3hwx n SER 128 Cb 0.00 -0.64 -0.15 0.00 -0.26 0.00 0.00 64.21 63.17 3hwx n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hwx h HIS 129 N 1.38 0.62 -3.98 7.33 -0.00 -1.52 -3.45 115.15 115.54 3hwx h HIS 129 Ca 0.16 -0.46 -0.51 0.00 -0.00 0.00 0.00 60.37 59.57 3hwx h HIS 129 Cb 1.63 -0.02 0.06 0.00 -0.00 0.00 0.00 27.41 29.07 3hwx h HIS 129 CO 0.71 1.72 0.50 -1.25 -0.00 0.00 0.00 177.93 179.62 3hwx s PRO 130 N -2.57 3.86 0.04 2.45 0.04 -1.26 -4.55 135.00 133.01 3hwx s PRO 130 Ca -0.19 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.44 3hwx s PRO 130 Cb 0.06 -2.52 -0.17 0.00 0.04 0.00 0.00 34.50 31.90 3hwx s PRO 130 CO 0.82 -0.48 1.50 1.15 0.04 0.00 0.00 177.00 180.03 3hwx h THR 131 N 2.06 1.09 -4.40 1.26 2.02 -1.14 -3.43 112.91 110.36 3hwx h THR 131 Ca -0.49 -0.50 -0.62 0.00 0.77 0.00 0.00 66.41 65.56 3hwx h THR 131 Cb 1.24 1.42 -0.29 0.00 -1.74 0.00 0.00 68.15 68.79 3hwx h THR 131 CO 0.61 0.13 -0.86 -1.00 0.37 0.00 0.00 175.52 174.77 3hwx s HIS 132 N -5.28 1.97 -0.09 3.16 3.76 -1.21 -5.07 115.29 112.52 3hwx s HIS 132 Ca -0.14 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 3hwx s HIS 132 Cb 0.04 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 3hwx s HIS 132 CO 0.65 0.00 -0.18 -1.12 -0.85 0.00 0.00 174.74 173.25 3hwx s SER 133 N -0.69 3.65 -0.25 1.40 0.01 -1.26 -1.68 113.70 114.88 3hwx s SER 133 Ca 0.09 -0.38 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 3hwx s SER 133 Cb -0.09 -1.26 0.04 0.00 0.21 0.00 0.00 66.02 64.92 3hwx s SER 133 CO -0.00 0.22 -0.08 -0.63 0.41 0.00 0.00 173.24 173.15 3hwx s ILE 134 N 0.02 2.62 -0.68 1.44 1.01 0.58 -4.95 121.20 121.24 3hwx s ILE 134 Ca -0.06 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.22 3hwx s ILE 134 Cb -0.15 -2.38 0.16 0.00 0.01 0.00 0.00 42.46 40.10 3hwx s ILE 134 CO 0.05 0.15 0.68 -0.44 0.00 0.00 0.00 174.94 175.38 3hwx s SER 135 N 1.26 6.43 0.46 3.58 0.01 -1.26 0.16 113.70 124.34 3hwx s SER 135 Ca -0.02 -2.07 -0.22 0.00 1.31 0.00 0.00 55.95 54.95 3hwx s SER 135 Cb -0.17 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 3hwx s SER 135 CO -0.05 -0.82 1.11 -0.76 0.41 0.00 0.00 173.24 173.13 3hwx s LEU 136 N 1.36 3.97 0.87 2.44 1.43 -0.75 -5.00 118.68 122.99 3hwx s LEU 136 Ca 0.12 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.27 3hwx s LEU 136 Cb -0.20 -4.34 0.18 0.00 0.03 0.00 0.00 46.19 41.86 3hwx s LEU 136 CO -0.02 -0.84 1.19 -2.16 0.23 0.00 0.00 176.35 174.76 3hwx s PRO 137 N -2.84 0.99 -0.22 1.29 0.04 -1.26 -4.58 135.00 128.42 3hwx s PRO 137 Ca 0.64 -0.76 -0.29 0.00 0.04 0.00 0.00 61.00 60.63 3hwx s PRO 137 Cb -0.24 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3hwx s PRO 137 CO 0.29 -2.06 1.81 0.50 0.04 0.00 0.00 177.00 177.58 3hwx s ARG 138 N -5.59 3.58 -0.12 4.56 3.52 -1.26 -4.66 118.95 118.98 3hwx s ARG 138 Ca 0.72 1.76 -0.39 0.00 -0.13 0.00 0.00 55.73 57.69 3hwx s ARG 138 Cb -0.04 -4.16 -0.17 0.00 -1.56 0.00 0.00 34.95 29.03 3hwx s ARG 138 CO 0.50 -1.57 1.53 -2.30 -0.81 0.00 0.00 175.30 172.65 3hwx n PRO 139 N 8.07 1.03 -3.82 5.12 -0.02 -1.26 -4.98 135.00 139.14 3hwx n PRO 139 Ca 0.22 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3hwx n PRO 139 Cb 0.45 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 3hwx n PRO 139 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hwx s THR 140 N 2.01 0.10 0.55 3.45 -1.32 -1.26 -5.03 115.64 114.14 3hwx s THR 140 Ca 0.92 -0.79 0.23 0.00 -1.21 0.00 0.00 61.69 60.84 3hwx s THR 140 Cb -1.05 -0.86 0.31 0.00 -1.51 0.00 0.00 72.50 69.39 3hwx s THR 140 CO 0.58 -0.44 2.20 1.56 -2.21 0.00 0.00 174.62 176.31 3hwx h GLN 141 N 3.49 0.00 0.00 7.08 1.08 -2.00 -3.20 115.11 121.56 3hwx h GLN 141 Ca -0.32 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.87 3hwx h GLN 141 Cb 1.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3hwx h GLN 141 CO 0.46 0.00 -0.08 -0.44 -0.95 0.00 0.00 178.83 177.83 3hwx h ASP 142 N 0.00 0.00 -3.64 1.46 3.32 -1.98 -3.37 116.42 112.22 3hwx h ASP 142 Ca 0.01 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.39 3hwx h ASP 142 Cb 0.03 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.41 3hwx h ASP 142 CO -0.00 0.08 -0.25 -0.63 -1.72 0.00 0.00 179.24 176.72 3hwx s ILE 143 N -4.00 5.14 0.74 0.35 1.01 -1.21 -5.07 121.20 118.16 3hwx s ILE 143 Ca -0.02 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 3hwx s ILE 143 Cb 0.12 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.76 3hwx s ILE 143 CO 0.55 -0.16 1.20 -2.16 0.00 0.00 0.00 174.94 174.36 3hwx s PRO 144 N 2.07 2.08 0.54 2.79 0.04 -1.26 -4.84 135.00 136.42 3hwx s PRO 144 Ca 0.12 1.73 0.25 0.00 0.04 0.00 0.00 61.00 63.14 3hwx s PRO 144 Cb -0.17 -1.83 1.41 0.00 0.04 0.00 0.00 34.50 33.96 3hwx s PRO 144 CO 0.12 -1.87 2.01 0.00 0.04 0.00 0.00 177.00 177.30 3hwx h ALA 145 N -0.41 2.40 0.00 8.56 0.00 -1.91 -2.14 119.26 125.76 3hwx h ALA 145 Ca -0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3hwx h ALA 145 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3hwx h ALA 145 CO 0.49 -0.58 -0.22 0.07 0.00 0.00 0.00 179.25 179.01 3hwx h ARG 146 N 0.00 0.00 -0.04 0.00 0.11 -1.90 -1.38 114.38 111.16 3hwx h ARG 146 Ca 0.22 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.24 3hwx h ARG 146 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 3hwx h ARG 146 CO -0.00 0.22 -0.19 2.35 0.10 0.00 0.00 179.97 182.45 3hwx h TRP 147 N 0.00 0.27 -0.71 4.08 7.01 -1.73 -1.64 115.95 123.22 3hwx h TRP 147 Ca -0.00 -0.12 0.10 0.00 2.11 0.00 0.00 58.89 60.98 3hwx h TRP 147 Cb 0.46 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.41 3hwx h TRP 147 CO 0.00 0.83 0.34 1.25 -2.79 0.00 0.00 178.44 178.07 3hwx h LEU 148 N -0.36 0.42 -0.09 0.65 5.85 -1.46 -1.30 115.31 119.03 3hwx h LEU 148 Ca -0.01 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 3hwx h LEU 148 Cb 0.85 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3hwx h LEU 148 CO 0.04 0.23 -0.95 1.62 -0.34 0.00 0.00 178.44 179.04 3hwx h VAL 149 N 0.57 1.67 -0.53 1.05 3.04 -1.32 -2.87 116.25 117.86 3hwx h VAL 149 Ca 0.36 -3.26 -0.08 0.00 -1.01 0.00 0.00 66.70 62.71 3hwx h VAL 149 Cb 0.40 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.43 3hwx h VAL 149 CO -0.29 0.93 0.03 0.28 -1.01 0.00 0.00 177.57 177.52 3hwx h SER 150 N 0.00 0.89 -0.49 3.17 0.02 -0.97 -1.24 113.55 114.93 3hwx h SER 150 Ca -0.01 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3hwx h SER 150 Cb 1.69 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 3hwx h SER 150 CO 0.12 0.96 0.22 0.74 -1.14 0.00 0.00 176.83 177.73 3hwx h THR 151 N 0.79 1.20 -0.63 -2.27 2.02 -1.22 -2.53 112.91 110.26 3hwx h THR 151 Ca 0.15 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 3hwx h THR 151 Cb 0.48 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3hwx h THR 151 CO 0.02 0.23 0.23 0.40 0.37 0.00 0.00 175.52 176.77 3hwx h ILE 152 N 0.65 1.24 -0.40 3.11 2.04 -1.38 -2.74 117.51 120.03 3hwx h ILE 152 Ca 0.17 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3hwx h ILE 152 Cb 0.15 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3hwx h ILE 152 CO -0.02 0.30 0.20 0.44 0.00 0.00 0.00 178.15 179.07 3hwx h ASP 153 N 0.89 0.29 -0.32 1.72 3.32 -1.09 -0.85 116.42 120.39 3hwx h ASP 153 Ca 0.21 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3hwx h ASP 153 Cb 0.24 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3hwx h ASP 153 CO -0.01 0.21 0.08 -0.74 -1.72 0.00 0.00 179.24 177.06 3hwx h HIS 154 N 0.41 0.53 -0.02 4.55 -0.00 -1.37 0.56 115.15 119.80 3hwx h HIS 154 Ca 0.17 -0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 3hwx h HIS 154 Cb 0.08 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.29 3hwx h HIS 154 CO -0.10 0.55 -0.44 0.00 -0.00 0.00 0.00 177.93 177.93 3hwx h ALA 155 N 0.92 -0.86 -0.27 5.26 0.00 -1.33 -2.59 119.26 120.39 3hwx h ALA 155 Ca 0.10 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3hwx h ALA 155 Cb 0.28 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hwx h ALA 155 CO 0.00 -1.00 -0.42 -0.07 0.00 0.00 0.00 179.25 177.76 3hwx h LEU 156 N -0.54 0.83 -1.07 0.00 -0.00 -0.87 -3.15 115.31 110.50 3hwx h LEU 156 Ca 0.01 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 3hwx h LEU 156 Cb 0.59 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 3hwx h LEU 156 CO -0.31 1.19 0.00 1.23 -0.00 0.00 0.00 178.44 180.55 3hwx h GLY 157 N 0.49 0.00 -3.03 0.83 0.00 -0.96 -2.61 103.07 97.80 3hwx h GLY 157 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.96 3hwx h GLY 157 CO 0.10 0.00 0.05 -1.30 0.00 0.00 0.00 176.54 175.38 3hwx n THR 158 N -2.98 2.85 -3.41 4.70 -2.24 -0.98 -3.81 114.28 108.41 3hwx n THR 158 Ca 0.02 -2.99 -0.44 0.00 -2.27 0.00 0.00 64.05 58.36 3hwx n THR 158 Cb 0.34 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 3hwx n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hwx s LEU 159 N -3.44 6.17 0.15 3.22 2.96 -0.99 -4.88 118.68 121.86 3hwx s LEU 159 Ca 0.51 -2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 52.12 3hwx s LEU 159 Cb 0.44 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 45.01 3hwx s LEU 159 CO 0.02 -0.69 1.60 -0.74 -1.32 0.00 0.00 176.35 175.21 3hwx h HIS 160 N 8.29 0.95 -1.73 5.38 -0.00 -1.89 -3.49 115.15 122.66 3hwx h HIS 160 Ca -0.13 -0.17 0.37 0.00 -0.00 0.00 0.00 60.37 60.44 3hwx h HIS 160 Cb 1.06 -0.25 -0.10 0.00 -0.00 0.00 0.00 27.41 28.13 3hwx h HIS 160 CO 0.80 0.90 0.94 0.00 -0.00 0.00 0.00 177.93 180.57 3hwx s ALA 161 N -5.00 -2.52 0.00 5.26 0.00 -1.26 -5.03 121.76 113.20 3hwx s ALA 161 Ca -0.12 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3hwx s ALA 161 Cb 0.12 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3hwx s ALA 161 CO 0.82 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3hwx n GLY 162 N -0.76 -2.30 3.94 0.00 0.00 -0.77 -4.69 105.19 100.60 3hwx n GLY 162 Ca -0.01 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 3hwx n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hwx s GLY 163 N -1.69 2.24 -0.05 -0.02 0.00 -1.25 -3.48 107.32 103.07 3hwx s GLY 163 Ca 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.31 3hwx s GLY 163 CO 0.00 -1.90 -0.06 0.14 0.00 0.00 0.00 173.10 171.28 3hwx s VAL 164 N -2.77 0.65 -0.32 1.40 1.01 0.98 -0.62 120.40 120.74 3hwx s VAL 164 Ca 0.39 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 3hwx s VAL 164 Cb -0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3hwx s VAL 164 CO 0.25 0.25 0.17 -2.28 0.00 0.00 0.00 175.10 173.48 3hwx s HIS 165 N 0.84 3.19 -0.26 5.22 5.65 -0.68 -0.67 115.29 128.57 3hwx s HIS 165 Ca -0.12 -0.57 0.01 0.00 0.25 0.00 0.00 55.06 54.63 3hwx s HIS 165 Cb -0.15 -2.37 0.05 0.00 -1.18 0.00 0.00 32.58 28.93 3hwx s HIS 165 CO 0.01 -0.46 -0.08 0.42 -0.65 0.00 0.00 174.74 173.98 3hwx s ILE 166 N 1.62 2.52 0.04 0.89 1.01 0.13 0.21 121.20 127.62 3hwx s ILE 166 Ca 0.05 -1.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.04 3hwx s ILE 166 Cb -0.17 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 3hwx s ILE 166 CO 0.07 0.04 0.78 0.21 0.00 0.00 0.00 174.94 176.04 3hwx s ASN 167 N 1.20 7.22 -0.51 3.58 2.47 0.12 -1.76 114.94 127.26 3hwx s ASN 167 Ca -0.05 1.46 0.04 0.00 0.42 0.00 0.00 52.86 54.73 3hwx s ASN 167 Cb -0.19 -2.48 0.16 0.00 -1.45 0.00 0.00 41.25 37.29 3hwx s ASN 167 CO -0.04 -0.01 0.35 0.00 -3.72 0.00 0.00 177.10 173.68 3hwx n PRO 169 N 2.83 2.46 -3.65 0.00 -0.02 -1.26 -2.05 135.00 133.32 3hwx n PRO 169 Ca 0.20 0.87 -0.20 0.00 -2.02 0.00 0.00 63.50 62.34 3hwx n PRO 169 Cb 0.39 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.09 3hwx n PRO 169 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hwx s PHE 170 N -1.14 0.02 0.60 6.00 0.08 -0.57 -4.52 117.98 118.45 3hwx s PHE 170 Ca 0.56 0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.71 3hwx s PHE 170 Cb -0.48 -0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 3hwx s PHE 170 CO 0.62 -0.29 1.02 0.00 -0.10 0.00 0.00 175.22 176.46 3hwx s ALA 171 N 2.20 3.06 0.55 5.36 0.00 -1.26 -3.96 121.76 127.70 3hwx s ALA 171 Ca 0.04 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 3hwx s ALA 171 Cb -0.13 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 3hwx s ALA 171 CO -0.05 -0.62 1.13 -1.21 0.00 0.00 0.00 175.76 175.01 3hwx s GLU 172 N -4.88 3.32 0.69 0.00 2.02 -1.26 -4.51 118.70 114.08 3hwx s GLU 172 Ca 0.56 1.60 -0.11 0.00 0.02 0.00 0.00 54.97 57.04 3hwx s GLU 172 Cb -0.11 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3hwx s GLU 172 CO 0.48 -0.87 1.06 -1.25 0.02 0.00 0.00 175.26 174.70 3hwx s PRO 173 N -3.34 3.01 0.00 0.39 0.04 -1.26 -4.99 135.00 128.85 3hwx s PRO 173 Ca 0.72 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3hwx s PRO 173 Cb -0.24 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3hwx s PRO 173 CO 0.28 -1.01 0.05 1.28 0.04 0.00 0.00 177.00 177.64 3hwx n LEU 174 N -3.04 0.10 -4.12 -3.56 4.77 -1.26 -3.95 117.00 105.94 3hwx n LEU 174 Ca 0.07 -0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 55.48 3hwx n LEU 174 Cb 0.54 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.48 3hwx n LEU 174 CO 0.57 0.03 -0.49 -0.31 -1.33 0.00 0.00 177.39 175.85 3hwx s TYR 175 N -0.45 1.56 0.00 -1.77 2.02 -1.26 -4.75 117.35 112.70 3hwx s TYR 175 Ca 0.00 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3hwx s TYR 175 Cb 0.00 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 3hwx s TYR 175 CO 0.00 -0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 3hwx n GLY 176 N 3.06 0.55 3.08 0.71 0.00 -1.26 -4.85 105.19 106.48 3hwx n GLY 176 Ca -0.17 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3hwx n GLY 176 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hwx s MET 178 N 2.31 0.57 0.10 1.61 1.75 -1.26 -4.97 119.30 119.42 3hwx s MET 178 Ca 0.00 -1.11 0.01 0.00 -1.25 0.00 0.00 55.69 53.34 3hwx s MET 178 Cb 0.00 0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.83 3hwx s MET 178 CO 0.00 -0.09 0.07 -3.47 -0.65 0.00 0.00 175.02 170.89 3hwx n ASP 179 N 0.39 1.37 0.03 1.11 2.03 -1.26 -5.02 116.55 115.20 3hwx n ASP 179 Ca -0.16 -1.37 0.12 0.00 0.52 0.00 0.00 54.79 53.91 3hwx n ASP 179 Cb 0.60 -0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.17 3hwx n ASP 179 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hwx n ASP 180 N -1.94 0.61 -0.06 1.67 9.92 -1.26 -4.70 116.55 120.79 3hwx n ASP 180 Ca -0.01 -0.05 0.03 0.00 -0.53 0.00 0.00 54.79 54.23 3hwx n ASP 180 Cb 0.12 0.28 0.05 0.00 -0.64 0.00 0.00 41.12 40.94 3hwx n ASP 180 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3hwx n THR 181 N -1.88 -0.07 -0.76 -3.53 -1.04 -1.26 0.11 114.28 105.86 3hwx n THR 181 Ca 0.04 0.37 0.08 0.00 -2.04 0.00 0.00 64.05 62.50 3hwx n THR 181 Cb 0.40 -0.54 0.31 0.00 -1.82 0.00 0.00 70.33 68.69 3hwx n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hwx n GLY 182 N -1.08 3.23 0.16 3.41 0.00 -1.26 -4.72 105.19 104.92 3hwx n GLY 182 Ca 0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 3hwx n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hwx h LEU 183 N 3.09 0.46 -1.20 0.99 5.85 0.50 -1.74 115.31 123.26 3hwx h LEU 183 Ca 0.00 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 3hwx h LEU 183 Cb 1.49 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3hwx h LEU 183 CO 0.27 0.67 -0.30 0.28 -0.34 0.00 0.00 178.44 179.02 3hwx h SER 184 N 0.24 0.00 -0.25 1.25 0.02 -1.85 -1.36 113.55 111.59 3hwx h SER 184 Ca 0.07 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 3hwx h SER 184 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3hwx h SER 184 CO 0.02 0.30 -0.55 -0.25 -1.14 0.00 0.00 176.83 175.20 3hwx h TRP 185 N 0.00 1.04 -0.17 3.45 7.01 -1.88 -2.84 115.95 122.56 3hwx h TRP 185 Ca -0.00 -0.39 -0.12 0.00 2.11 0.00 0.00 58.89 60.49 3hwx h TRP 185 Cb 0.73 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3hwx h TRP 185 CO 0.00 1.21 -0.40 1.96 -2.79 0.00 0.00 178.44 178.42 3hwx h GLN 186 N 0.58 0.39 0.00 2.65 4.20 -0.82 -3.09 115.11 119.02 3hwx h GLN 186 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hwx h GLN 186 Cb 1.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3hwx h GLN 186 CO 0.12 0.73 0.00 1.04 -0.67 0.00 0.00 178.83 180.05 3hwx n GLN 187 N -4.03 0.33 0.00 1.46 6.02 -0.56 -3.14 117.38 117.46 3hwx n GLN 187 Ca -0.01 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.03 3hwx n GLN 187 Cb 0.49 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.47 3hwx n GLN 187 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx n ARG 188 N -1.33 0.05 -0.20 -1.09 5.12 -1.08 -2.13 116.66 116.01 3hwx n ARG 188 Ca 0.12 0.28 0.05 0.00 -1.93 0.00 0.00 57.85 56.38 3hwx n ARG 188 Cb 0.25 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.21 3hwx n ARG 188 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hwx n LEU 189 N -1.42 2.00 0.00 0.55 4.77 -1.19 -5.00 117.00 116.72 3hwx n LEU 189 Ca 0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3hwx n LEU 189 Cb 0.10 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3hwx n LEU 189 CO 0.08 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3hwx n GLY 190 N 1.00 1.51 0.00 -0.72 0.00 -0.90 -2.31 105.19 103.77 3hwx n GLY 190 Ca 0.12 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.77 3hwx n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hwx n ASP 191 N -2.02 0.00 -0.25 1.61 5.68 -1.26 -3.55 116.55 116.75 3hwx n ASP 191 Ca 0.00 -0.98 0.19 0.00 -0.50 0.00 0.00 54.79 53.50 3hwx n ASP 191 Cb 0.00 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.48 3hwx n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 3hwx h TRP 192 N 0.00 0.56 -0.27 2.11 7.01 -1.87 -0.86 115.95 122.64 3hwx h TRP 192 Ca 0.00 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.05 3hwx h TRP 192 Cb 0.00 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 3hwx h TRP 192 CO 0.00 0.15 0.18 -1.49 -2.79 0.00 0.00 178.44 174.49 3hwx h TRP 193 N 0.42 0.22 -0.54 2.65 4.06 -1.76 -1.47 115.95 119.52 3hwx h TRP 193 Ca 0.48 0.01 -0.12 0.00 2.06 0.00 0.00 58.89 61.31 3hwx h TRP 193 Cb 1.17 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 29.18 3hwx h TRP 193 CO -0.00 0.13 0.12 1.04 -3.56 0.00 0.00 178.44 176.17 3hwx n GLN 194 N -4.49 3.48 -3.20 0.49 3.00 -0.36 -5.00 117.38 111.30 3hwx n GLN 194 Ca 0.02 -3.05 -0.20 0.00 -0.01 0.00 0.00 57.00 53.76 3hwx n GLN 194 Cb 0.17 -2.08 0.02 0.00 0.00 0.00 0.00 30.24 28.36 3hwx n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hwx s ASP 195 N -1.42 5.23 -0.14 1.08 2.15 -0.55 -5.05 116.67 117.97 3hwx s ASP 195 Ca 0.51 -0.74 0.19 0.00 0.43 0.00 0.00 52.55 52.94 3hwx s ASP 195 Cb 0.41 -0.13 -0.27 0.00 -0.30 0.00 0.00 42.92 42.62 3hwx s ASP 195 CO 0.11 -1.02 0.22 -0.67 -0.17 0.00 0.00 175.17 173.64 3hwx n ASP 196 N -1.96 0.06 -4.85 -0.34 2.03 -1.26 -5.05 116.55 105.18 3hwx n ASP 196 Ca 0.09 0.03 -0.22 0.00 0.52 0.00 0.00 54.79 55.21 3hwx n ASP 196 Cb 0.61 1.20 -0.04 0.00 -0.72 0.00 0.00 41.12 42.17 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hwx s LYS 197 N -2.78 2.44 0.88 -0.67 1.02 -1.26 -4.78 119.74 114.59 3hwx s LYS 197 Ca -0.09 -1.64 -0.10 0.00 0.02 0.00 0.00 55.97 54.16 3hwx s LYS 197 Cb 0.08 -2.27 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 3hwx s LYS 197 CO 0.85 -0.21 1.13 -2.14 -0.92 0.00 0.00 175.35 174.07 3hwx s PRO 198 N -4.09 1.34 0.00 -1.68 0.02 -1.26 -4.89 135.00 124.44 3hwx s PRO 198 Ca 0.46 1.46 -0.25 0.00 0.02 0.00 0.00 61.00 62.69 3hwx s PRO 198 Cb -0.01 -1.77 -0.19 0.00 0.02 0.00 0.00 34.50 32.55 3hwx s PRO 198 CO 0.26 -2.38 1.36 2.35 -0.33 0.00 0.00 177.00 178.27 3hwx h TRP 199 N -1.67 0.03 -3.39 6.54 2.91 -1.95 -3.42 115.95 115.00 3hwx h TRP 199 Ca -0.43 -0.01 -0.66 0.00 1.13 0.00 0.00 58.89 58.92 3hwx h TRP 199 Cb 1.26 -0.01 -0.27 0.00 -0.51 0.00 0.00 29.16 29.63 3hwx h TRP 199 CO 0.52 0.42 -0.72 -1.17 -1.03 0.00 0.00 178.44 176.46 3hwx s LEU 200 N -9.40 2.91 -0.37 0.65 2.96 -1.26 -5.08 118.68 109.10 3hwx s LEU 200 Ca -0.15 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.26 3hwx s LEU 200 Cb 0.03 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 3hwx s LEU 200 CO 0.68 0.02 0.29 -0.13 -1.32 0.00 0.00 176.35 175.89 3hwx s ARG 201 N 1.27 3.33 -0.18 1.98 0.52 -1.26 -4.74 118.95 119.86 3hwx s ARG 201 Ca 0.03 -0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 3hwx s ARG 201 Cb -0.14 -3.87 0.07 0.00 0.52 0.00 0.00 34.95 31.53 3hwx s ARG 201 CO -0.02 -0.57 0.15 -2.00 0.02 0.00 0.00 175.30 172.88 3hwx s GLU 202 N 1.79 0.12 -0.43 3.54 2.12 -1.26 -5.03 118.70 119.54 3hwx s GLU 202 Ca 0.07 0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.52 3hwx s GLU 202 Cb -0.18 -1.56 0.34 0.00 0.26 0.00 0.00 34.13 33.00 3hwx s GLU 202 CO 0.11 -0.66 1.13 0.00 -0.54 0.00 0.00 175.26 175.30 3hwx n ALA 203 N 5.30 0.05 -1.78 6.30 0.00 -1.25 -3.72 120.51 125.41 3hwx n ALA 203 Ca -0.06 -1.65 -0.36 0.00 0.00 0.00 0.00 53.44 51.37 3hwx n ALA 203 Cb 0.49 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 3hwx n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hwx s PRO 204 N -0.09 3.90 0.20 0.00 0.04 -1.26 -5.01 135.00 132.78 3hwx s PRO 204 Ca 0.24 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.55 3hwx s PRO 204 Cb 0.33 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3hwx s PRO 204 CO -0.06 -0.37 0.83 1.03 0.04 0.00 0.00 177.00 178.47 3hwx s ARG 205 N -2.80 4.65 -0.24 4.56 1.81 -1.26 -4.98 118.95 120.69 3hwx s ARG 205 Ca 0.63 1.26 -0.06 0.00 -1.72 0.00 0.00 55.73 55.84 3hwx s ARG 205 Cb -0.22 -3.24 -0.02 0.00 -0.45 0.00 0.00 34.95 31.02 3hwx s ARG 205 CO 0.27 0.54 0.04 -1.17 -0.68 0.00 0.00 175.30 174.30 3hwx s LEU 206 N -1.23 3.31 -0.14 2.53 2.96 -1.26 -5.08 118.68 119.78 3hwx s LEU 206 Ca 0.38 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 3hwx s LEU 206 Cb -0.24 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3hwx s LEU 206 CO 0.28 -0.04 0.41 -0.70 -1.32 0.00 0.00 176.35 174.98 3hwx s GLU 207 N 1.57 0.52 0.00 1.98 2.12 -1.26 -4.84 118.70 118.78 3hwx s GLU 207 Ca 0.06 0.51 -0.28 0.00 0.36 0.00 0.00 54.97 55.61 3hwx s GLU 207 Cb -0.15 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 3hwx s GLU 207 CO 0.02 -0.07 0.91 -1.12 -0.54 0.00 0.00 175.26 174.45 3hwx s SER 208 N 0.05 7.29 0.65 -1.70 0.01 -0.81 -4.99 113.70 114.21 3hwx s SER 208 Ca -0.01 1.56 -0.17 0.00 1.31 0.00 0.00 55.95 58.64 3hwx s SER 208 Cb -0.03 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 3hwx s SER 208 CO 0.01 -0.19 0.55 -1.84 0.41 0.00 0.00 173.24 172.18 3hwx n GLU 209 N 3.69 0.43 -1.67 12.44 0.28 -1.26 -4.88 120.64 129.66 3hwx n GLU 209 Ca 0.04 0.18 -0.47 0.00 -0.16 0.00 0.00 57.16 56.74 3hwx n GLU 209 Cb 0.51 -1.79 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 3hwx n GLU 209 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3hwx n LYS 210 N -0.44 2.07 -2.08 3.44 4.81 -1.26 -4.92 118.16 119.78 3hwx n LYS 210 Ca 0.11 0.75 -0.41 0.00 -0.87 0.00 0.00 58.31 57.89 3hwx n LYS 210 Cb 0.49 -2.54 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 3hwx n LYS 210 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hwx s GLN 211 N 2.08 3.10 0.63 1.64 -1.52 -1.26 -4.90 119.66 119.43 3hwx s GLN 211 Ca 0.85 1.01 0.35 0.00 -1.95 0.00 0.00 55.36 55.62 3hwx s GLN 211 Cb -0.71 -4.24 1.99 0.00 -0.22 0.00 0.00 33.01 29.83 3hwx s GLN 211 CO 0.44 -2.15 2.22 0.00 -0.25 0.00 0.00 175.29 175.55 3hwx h ARG 212 N 13.27 0.00 -0.55 2.91 3.08 -2.00 -2.73 114.38 128.35 3hwx h ARG 212 Ca -0.30 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 3hwx h ARG 212 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 3hwx h ARG 212 CO 1.12 0.00 0.05 -0.40 -1.07 0.00 0.00 179.97 179.66 3hwx n ASP 213 N -3.42 5.23 -0.35 7.04 5.75 -1.26 -4.53 116.55 125.01 3hwx n ASP 213 Ca -0.02 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 3hwx n ASP 213 Cb 0.18 -0.67 0.14 0.00 -1.03 0.00 0.00 41.12 39.73 3hwx n ASP 213 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hwx h TRP 214 N 3.34 1.13 -0.42 2.11 -0.00 -1.90 -2.46 115.95 117.75 3hwx h TRP 214 Ca 0.05 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.93 3hwx h TRP 214 Cb 1.95 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 30.72 3hwx h TRP 214 CO 1.03 0.63 0.11 0.74 -0.00 0.00 0.00 178.44 180.95 3hwx h PHE 215 N 1.16 0.62 -0.08 2.65 -1.00 -1.86 -1.12 116.94 117.32 3hwx h PHE 215 Ca 0.38 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.12 3hwx h PHE 215 Cb 0.05 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 3hwx h PHE 215 CO -0.01 0.53 0.03 0.35 -1.61 0.00 0.00 178.31 177.60 3hwx h PHE 216 N 0.61 0.12 0.00 -0.55 3.57 -1.83 -3.32 116.94 115.54 3hwx h PHE 216 Ca 0.14 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3hwx h PHE 216 Cb 0.22 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3hwx h PHE 216 CO 0.01 0.24 -0.41 -1.49 -2.23 0.00 0.00 178.31 174.43 3hwx h TRP 217 N -0.03 0.00 0.00 0.41 4.06 -0.90 -3.04 115.95 116.45 3hwx h TRP 217 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3hwx h TRP 217 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3hwx h TRP 217 CO -0.02 0.41 0.00 0.07 -3.56 0.00 0.00 178.44 175.34 3hwx h ARG 218 N 0.00 0.00 -0.00 0.49 0.11 -1.33 -2.80 114.38 110.85 3hwx h ARG 218 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hwx h ARG 218 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 3hwx h ARG 218 CO 0.05 0.00 -0.10 1.04 0.10 0.00 0.00 179.97 181.06 3hwx n GLN 219 N -2.54 0.40 -2.76 0.08 6.02 -1.15 -4.88 117.38 112.56 3hwx n GLN 219 Ca 0.02 -0.10 -0.20 0.00 -0.01 0.00 0.00 57.00 56.71 3hwx n GLN 219 Cb 0.29 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.08 3hwx n GLN 219 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hwx s LYS 220 N -2.67 2.65 -0.57 -1.09 -0.14 -1.06 -5.02 119.74 111.85 3hwx s LYS 220 Ca 0.24 -0.87 -0.28 0.00 -1.36 0.00 0.00 55.97 53.70 3hwx s LYS 220 Cb 0.20 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.81 3hwx s LYS 220 CO 0.51 -0.57 1.24 1.03 -0.76 0.00 0.00 175.35 176.80 3hwx s ARG 221 N -4.65 3.48 0.28 1.68 0.52 -1.26 -4.97 118.95 114.04 3hwx s ARG 221 Ca 0.56 0.33 0.12 0.00 -0.52 0.00 0.00 55.73 56.22 3hwx s ARG 221 Cb -0.10 -4.03 -0.05 0.00 0.52 0.00 0.00 34.95 31.29 3hwx s ARG 221 CO 0.37 -1.72 -0.17 0.20 0.02 0.00 0.00 175.30 174.00 3hwx s GLY 222 N 3.26 1.88 -0.04 -3.53 0.00 -1.26 -0.04 107.32 107.59 3hwx s GLY 222 Ca 0.46 -1.86 0.06 0.00 0.00 0.00 0.00 44.72 43.37 3hwx s GLY 222 CO 0.26 -1.94 -0.22 0.14 0.00 0.00 0.00 173.10 171.34 3hwx s VAL 223 N -2.49 1.77 -0.22 1.40 1.01 -0.34 -4.23 120.40 117.31 3hwx s VAL 223 Ca 0.30 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3hwx s VAL 223 Cb -0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3hwx s VAL 223 CO 0.16 0.50 0.19 -0.69 0.00 0.00 0.00 175.10 175.26 3hwx s VAL 224 N -0.16 5.35 -0.27 2.92 1.01 -1.08 -0.62 120.40 127.55 3hwx s VAL 224 Ca -0.01 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 3hwx s VAL 224 Cb -0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3hwx s VAL 224 CO 0.02 0.37 0.09 -0.69 0.00 0.00 0.00 175.10 174.89 3hwx s VAL 225 N 0.82 4.38 -0.50 2.92 1.01 -0.88 -1.10 120.40 127.05 3hwx s VAL 225 Ca 0.10 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3hwx s VAL 225 Cb -0.13 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.19 3hwx s VAL 225 CO 0.03 0.25 0.64 0.00 0.00 0.00 0.00 175.10 176.01 3hwx s ALA 226 N 1.61 3.37 1.00 5.51 0.00 -0.58 0.82 121.76 133.49 3hwx s ALA 226 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3hwx s ALA 226 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hwx s ALA 226 CO 0.04 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.23 3hwx n GLY 227 N 5.15 0.31 3.71 0.00 0.00 0.39 -1.46 105.19 113.29 3hwx n GLY 227 Ca -0.05 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3hwx n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hwx s ARG 228 N 0.00 4.29 0.29 1.61 3.52 0.09 -3.05 118.95 125.70 3hwx s ARG 228 Ca 0.00 2.14 -0.20 0.00 -0.13 0.00 0.00 55.73 57.54 3hwx s ARG 228 Cb 0.00 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3hwx s ARG 228 CO 0.00 -0.49 0.81 0.00 -0.81 0.00 0.00 175.30 174.81 3hwx s MET 229 N 1.22 1.80 0.61 5.12 0.23 -1.21 -3.95 119.30 123.13 3hwx s MET 229 Ca 0.66 -1.07 -0.19 0.00 -1.03 0.00 0.00 55.69 54.06 3hwx s MET 229 Cb -0.38 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 3hwx s MET 229 CO 0.30 -0.83 1.28 -1.54 -2.03 0.00 0.00 175.02 172.20 3hwx s SER 230 N -3.01 4.89 0.21 -1.18 1.04 -1.26 -4.75 113.70 109.65 3hwx s SER 230 Ca 0.14 2.59 -0.20 0.00 0.48 0.00 0.00 55.95 58.95 3hwx s SER 230 Cb -0.05 -2.62 0.18 0.00 0.10 0.00 0.00 66.02 63.63 3hwx s SER 230 CO 0.08 -1.81 1.53 0.00 0.98 0.00 0.00 173.24 174.02 3hwx n ALA 231 N -1.64 -0.23 -0.13 5.32 0.00 -1.26 -1.55 120.51 121.02 3hwx n ALA 231 Ca 0.14 0.96 -0.10 0.00 0.00 0.00 0.00 53.44 54.43 3hwx n ALA 231 Cb 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 3hwx n ALA 231 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hwx h GLU 232 N 0.00 0.68 -0.88 0.00 4.39 -1.91 -2.62 114.58 114.23 3hwx h GLU 232 Ca 0.31 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.88 3hwx h GLU 232 Cb 0.55 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 3hwx h GLU 232 CO -0.97 0.77 0.53 0.93 -1.16 0.00 0.00 179.01 179.11 3hwx h GLU 233 N 0.50 0.87 -0.84 2.33 5.08 -1.82 -1.26 114.58 119.45 3hwx h GLU 233 Ca 0.11 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3hwx h GLU 233 Cb 0.47 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3hwx h GLU 233 CO 0.02 0.58 0.48 0.78 -1.00 0.00 0.00 179.01 179.87 3hwx h GLY 234 N 0.90 1.31 0.87 -3.84 0.00 -0.93 -0.19 103.07 101.19 3hwx h GLY 234 Ca 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3hwx h GLY 234 CO -0.23 0.13 -0.17 0.50 0.00 0.00 0.00 176.54 176.77 3hwx h LYS 235 N 0.81 -0.46 -0.14 4.80 1.57 -1.05 -1.73 116.57 120.36 3hwx h LYS 235 Ca 0.41 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.26 3hwx h LYS 235 Cb 0.37 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3hwx h LYS 235 CO -0.25 -0.23 0.13 0.87 -0.57 0.00 0.00 179.45 179.40 3hwx h LYS 236 N -0.62 0.00 0.13 3.15 1.57 -0.68 -1.07 116.57 119.05 3hwx h LYS 236 Ca -0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.42 3hwx h LYS 236 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hwx h LYS 236 CO 0.08 0.00 -1.51 0.28 -0.57 0.00 0.00 179.45 177.73 3hwx h VAL 237 N 0.00 1.18 -0.79 0.50 2.07 -0.97 -2.27 116.25 115.97 3hwx h VAL 237 Ca 0.07 -2.80 -0.01 0.00 0.82 0.00 0.00 66.70 64.77 3hwx h VAL 237 Cb 0.32 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3hwx h VAL 237 CO -0.00 0.83 0.46 0.00 0.02 0.00 0.00 177.57 178.87 3hwx h ALA 238 N 0.47 1.31 -0.08 1.67 0.00 -0.25 -1.78 119.26 120.61 3hwx h ALA 238 Ca -0.24 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 3hwx h ALA 238 Cb 2.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3hwx h ALA 238 CO 0.17 0.58 -0.72 1.25 0.00 0.00 0.00 179.25 180.52 3hwx h LEU 239 N 1.10 0.48 -0.21 0.00 6.46 -1.53 -2.21 115.31 119.41 3hwx h LEU 239 Ca 0.28 -0.31 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 3hwx h LEU 239 Cb -0.01 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 3hwx h LEU 239 CO -0.05 1.05 -0.20 -0.25 -0.62 0.00 0.00 178.44 178.37 3hwx h TRP 240 N 0.28 0.60 -0.26 1.25 7.01 -1.07 -2.87 115.95 120.89 3hwx h TRP 240 Ca -0.03 -0.18 -0.04 0.00 2.11 0.00 0.00 58.89 60.75 3hwx h TRP 240 Cb 1.30 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.22 3hwx h TRP 240 CO 0.04 0.85 0.01 0.00 -2.79 0.00 0.00 178.44 176.56 3hwx h ALA 241 N 0.65 0.35 -0.83 2.65 0.00 -1.37 -1.52 119.26 119.20 3hwx h ALA 241 Ca 0.03 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.91 3hwx h ALA 241 Cb 0.75 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 3hwx h ALA 241 CO 0.05 0.08 0.33 0.37 0.00 0.00 0.00 179.25 180.08 3hwx h GLN 242 N 0.25 0.39 -0.02 0.00 4.15 -1.40 0.19 115.11 118.66 3hwx h GLN 242 Ca 0.08 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3hwx h GLN 242 Cb 0.40 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3hwx h GLN 242 CO 0.01 0.26 -0.13 1.15 -1.93 0.00 0.00 178.83 178.19 3hwx h THR 243 N 0.40 1.50 -0.29 2.39 2.02 -1.27 -2.43 112.91 115.23 3hwx h THR 243 Ca 0.49 -1.66 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3hwx h THR 243 Cb 0.85 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 3hwx h THR 243 CO -0.48 0.45 0.26 -0.07 0.37 0.00 0.00 175.52 176.05 3hwx h LEU 244 N -0.47 0.00 0.00 2.58 3.38 -0.64 -2.53 115.31 117.63 3hwx h LEU 244 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hwx h LEU 244 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hwx h LEU 244 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3hwx n GLY 245 N -1.49 0.73 3.83 0.83 0.00 -0.00 -4.30 105.19 104.78 3hwx n GLY 245 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3hwx n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hwx s TRP 246 N -2.61 3.55 0.04 1.61 0.52 -1.05 -3.20 118.94 117.81 3hwx s TRP 246 Ca 0.00 1.31 -0.31 0.00 0.02 0.00 0.00 56.10 57.12 3hwx s TRP 246 Cb 0.00 -2.57 -0.06 0.00 -1.15 0.00 0.00 33.47 29.68 3hwx s TRP 246 CO 0.00 0.26 1.41 -1.25 0.02 0.00 0.00 176.95 177.39 3hwx s PRO 247 N -2.33 4.29 -0.36 4.98 0.04 -1.26 -4.55 135.00 135.82 3hwx s PRO 247 Ca 0.47 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.34 3hwx s PRO 247 Cb -0.14 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3hwx s PRO 247 CO 0.20 -0.54 0.56 -1.17 0.04 0.00 0.00 177.00 176.08 3hwx s LEU 248 N 2.03 4.34 -0.55 -3.56 2.96 -1.26 -2.62 118.68 120.02 3hwx s LEU 248 Ca 0.65 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 3hwx s LEU 248 Cb -0.34 -2.65 0.13 0.00 0.50 0.00 0.00 46.19 43.83 3hwx s LEU 248 CO 0.28 -0.54 0.52 -0.63 -1.32 0.00 0.00 176.35 174.66 3hwx s ILE 249 N 2.52 5.20 -0.21 6.68 1.01 -0.26 -4.26 121.20 131.88 3hwx s ILE 249 Ca 0.21 -1.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.27 3hwx s ILE 249 Cb -0.15 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3hwx s ILE 249 CO 0.14 -0.88 0.08 -0.83 0.00 0.00 0.00 174.94 173.45 3hwx s GLY 250 N 3.57 1.88 0.86 6.18 0.00 -1.26 -1.52 107.32 117.02 3hwx s GLY 250 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 3hwx s GLY 250 CO 0.03 0.25 1.10 -0.35 0.00 0.00 0.00 173.10 174.13 3hwx s ASP 251 N 0.86 3.70 0.46 1.64 2.15 -0.54 -4.85 116.67 120.10 3hwx s ASP 251 Ca 0.04 1.77 0.17 0.00 0.43 0.00 0.00 52.55 54.96 3hwx s ASP 251 Cb -0.13 -2.41 1.14 0.00 -0.30 0.00 0.00 42.92 41.22 3hwx s ASP 251 CO 0.03 -2.54 2.00 -0.37 -0.17 0.00 0.00 175.17 174.11 3hwx h VAL 252 N -1.48 0.86 -0.00 1.11 -1.51 -1.90 -1.30 116.25 112.02 3hwx h VAL 252 Ca -0.46 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3hwx h VAL 252 Cb 1.26 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3hwx h VAL 252 CO 0.51 0.05 -0.01 0.18 -1.23 0.00 0.00 177.57 177.07 3hwx n LEU 253 N -4.45 0.42 0.05 4.19 4.77 -1.26 -3.92 117.00 116.80 3hwx n LEU 253 Ca 0.09 -0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 3hwx n LEU 253 Cb 0.41 -0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.60 3hwx n LEU 253 CO 0.35 0.07 0.24 -1.54 -1.33 0.00 0.00 177.39 175.18 3hwx n SER 254 N -0.71 0.67 -4.26 -1.43 3.41 -0.49 -3.35 113.62 107.46 3hwx n SER 254 Ca 0.22 0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.48 3hwx n SER 254 Cb 0.19 0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3hwx n SER 254 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n GLN 255 N -2.08 -2.58 0.04 4.33 6.02 -1.25 -4.04 117.38 117.82 3hwx n GLN 255 Ca 0.03 0.31 0.02 0.00 -0.01 0.00 0.00 57.00 57.36 3hwx n GLN 255 Cb 0.44 -5.01 -0.07 0.00 1.02 0.00 0.00 30.24 26.61 3hwx n GLN 255 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hwx n THR 256 N -4.27 1.03 0.00 5.09 -2.24 -1.26 -0.63 114.28 111.99 3hwx n THR 256 Ca 0.09 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3hwx n THR 256 Cb 0.48 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3hwx n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 257 N 1.36 1.88 3.54 3.38 0.00 -1.26 -4.44 105.19 109.65 3hwx n GLY 257 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3hwx n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 258 N -0.37 -5.96 0.23 1.61 6.02 -1.26 -4.51 117.38 113.14 3hwx n GLN 258 Ca 0.00 0.76 0.06 0.00 -0.01 0.00 0.00 57.00 57.81 3hwx n GLN 258 Cb 0.00 -5.60 0.32 0.00 1.02 0.00 0.00 30.24 25.98 3hwx n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3hwx h PRO 259 N -1.89 0.00 -2.29 -1.09 0.13 -1.85 -1.93 132.00 123.08 3hwx h PRO 259 Ca -0.60 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 63.94 3hwx h PRO 259 Cb 1.35 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.07 3hwx h PRO 259 CO 0.53 0.00 -0.82 1.28 -0.23 0.00 0.00 178.00 178.75 3hwx n LEU 260 N -2.24 1.78 -4.60 1.56 4.77 -1.26 -5.01 117.00 112.01 3hwx n LEU 260 Ca -0.01 -4.99 -0.30 0.00 -0.03 0.00 0.00 56.01 50.69 3hwx n LEU 260 Cb 0.54 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.78 3hwx n LEU 260 CO 0.05 1.99 0.60 -2.16 -1.33 0.00 0.00 177.39 176.54 3hwx s PRO 261 N -1.50 0.18 -1.30 3.23 0.04 -0.73 -4.00 135.00 130.92 3hwx s PRO 261 Ca 0.35 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 3hwx s PRO 261 Cb 0.11 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.99 3hwx s PRO 261 CO -0.10 -3.07 0.17 0.00 0.04 0.00 0.00 177.00 174.05 3hwx h ALA 263 N 0.76 0.38 -1.16 0.00 0.00 -1.80 0.32 119.26 117.76 3hwx h ALA 263 Ca -0.39 0.14 0.34 0.00 0.00 0.00 0.00 54.91 55.00 3hwx h ALA 263 Cb 1.28 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 3hwx h ALA 263 CO 0.44 -0.40 0.94 0.22 0.00 0.00 0.00 179.25 180.45 3hwx h ASP 264 N 0.09 0.00 0.00 0.00 3.58 -1.86 -0.25 116.42 117.98 3hwx h ASP 264 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3hwx h ASP 264 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3hwx h ASP 264 CO -0.38 0.00 -0.09 -0.07 -2.88 0.00 0.00 179.24 175.82 3hwx h LEU 265 N 0.00 0.00 -1.90 2.28 3.38 -0.69 -3.40 115.31 114.98 3hwx h LEU 265 Ca 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 3hwx h LEU 265 Cb 2.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.18 3hwx h LEU 265 CO -0.01 0.29 -0.10 4.11 0.09 0.00 0.00 178.44 182.82 3hwx h TRP 266 N -0.49 0.00 0.00 1.13 5.08 -0.67 0.17 115.95 121.17 3hwx h TRP 266 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hwx h TRP 266 Cb 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 3hwx h TRP 266 CO -0.04 0.10 0.00 1.28 -1.28 0.00 0.00 178.44 178.51 3hwx n LEU 267 N -4.17 0.00 -1.32 0.11 4.77 -0.15 -0.26 117.00 115.97 3hwx n LEU 267 Ca -0.03 0.46 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 3hwx n LEU 267 Cb 0.18 -0.46 0.28 0.00 -2.33 0.00 0.00 43.42 41.10 3hwx n LEU 267 CO 0.33 -0.33 0.72 0.61 -1.33 0.00 0.00 177.39 177.40 3hwx n GLY 268 N -0.61 2.17 3.20 -0.72 0.00 0.59 -4.70 105.19 105.12 3hwx n GLY 268 Ca 0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3hwx n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwx s ASN 269 N -0.80 3.19 0.36 1.61 3.84 0.64 -4.39 114.94 119.39 3hwx s ASN 269 Ca 0.40 -0.57 0.18 0.00 0.21 0.00 0.00 52.86 53.08 3hwx s ASN 269 Cb 0.26 -1.45 1.16 0.00 -0.55 0.00 0.00 41.25 40.67 3hwx s ASN 269 CO 0.19 0.11 1.66 0.00 -2.79 0.00 0.00 177.10 176.27 3hwx h ALA 270 N 7.10 2.12 0.00 1.71 0.00 -1.86 0.12 119.26 128.45 3hwx h ALA 270 Ca -0.28 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hwx h ALA 270 Cb 1.21 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hwx h ALA 270 CO 0.53 -0.72 -0.26 0.87 0.00 0.00 0.00 179.25 179.67 3hwx h LYS 271 N 0.28 0.00 0.16 0.00 1.57 -1.92 -1.75 116.57 114.91 3hwx h LYS 271 Ca 0.74 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.51 3hwx h LYS 271 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.14 3hwx h LYS 271 CO -0.55 0.26 -0.08 0.00 -0.57 0.00 0.00 179.45 178.51 3hwx h ALA 272 N 1.74 -0.22 -0.80 3.86 0.00 -1.03 -2.76 119.26 120.06 3hwx h ALA 272 Ca -0.00 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.97 3hwx h ALA 272 Cb 0.51 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 3hwx h ALA 272 CO 0.03 -0.22 0.25 1.79 0.00 0.00 0.00 179.25 181.10 3hwx h THR 273 N -1.02 0.50 0.02 0.00 1.35 -1.46 -1.60 112.91 110.69 3hwx h THR 273 Ca -0.02 -0.11 0.02 0.00 -0.55 0.00 0.00 66.41 65.75 3hwx h THR 273 Cb 0.31 0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 66.83 3hwx h THR 273 CO 0.04 0.06 -0.51 0.28 -0.25 0.00 0.00 175.52 175.13 3hwx h SER 274 N 0.32 -1.56 -0.73 5.36 0.02 -1.38 0.34 113.55 115.92 3hwx h SER 274 Ca 0.47 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.66 3hwx h SER 274 Cb 0.83 0.59 -0.06 0.00 0.14 0.00 0.00 62.40 63.90 3hwx h SER 274 CO -0.52 -0.52 0.42 -0.08 -1.14 0.00 0.00 176.83 174.99 3hwx h GLU 275 N -0.67 0.73 -0.07 3.45 4.81 -1.06 -1.67 114.58 120.11 3hwx h GLU 275 Ca 0.02 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3hwx h GLU 275 Cb 0.72 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3hwx h GLU 275 CO -0.34 0.49 -0.39 -0.07 -0.73 0.00 0.00 179.01 177.97 3hwx h LEU 276 N 0.76 0.14 -1.96 1.64 3.38 -0.95 -2.60 115.31 115.72 3hwx h LEU 276 Ca 0.33 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.33 3hwx h LEU 276 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hwx h LEU 276 CO -0.19 0.53 0.42 -0.61 0.09 0.00 0.00 178.44 178.68 3hwx h GLN 277 N 0.12 0.00 0.00 1.13 4.15 0.67 -1.35 115.11 119.83 3hwx h GLN 277 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hwx h GLN 277 Cb 0.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 3hwx h GLN 277 CO 0.06 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.90 3hwx n GLN 278 N -3.51 0.06 -2.34 1.69 7.27 -0.98 -4.87 117.38 114.71 3hwx n GLN 278 Ca 0.05 0.13 -0.35 0.00 0.07 0.00 0.00 57.00 56.90 3hwx n GLN 278 Cb 0.57 -1.58 -0.01 0.00 2.41 0.00 0.00 30.24 31.62 3hwx n GLN 278 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hwx s ALA 279 N -3.04 2.75 -0.03 1.69 0.00 -0.51 -4.81 121.76 117.81 3hwx s ALA 279 Ca 0.11 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.86 3hwx s ALA 279 Cb 0.15 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 3hwx s ALA 279 CO 0.47 -0.63 0.06 1.04 0.00 0.00 0.00 175.76 176.70 3hwx n GLN 280 N -1.23 1.81 -3.85 0.00 6.02 0.94 -4.47 117.38 116.61 3hwx n GLN 280 Ca 0.11 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 3hwx n GLN 280 Cb 0.51 -1.11 -0.16 0.00 1.02 0.00 0.00 30.24 30.50 3hwx n GLN 280 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3hwx s ILE 281 N -2.21 0.10 -0.19 5.09 2.07 -1.21 0.73 121.20 125.59 3hwx s ILE 281 Ca -0.02 0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3hwx s ILE 281 Cb 0.02 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 3hwx s ILE 281 CO 0.19 0.14 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.60 3hwx s VAL 282 N 1.23 3.27 -0.38 4.00 1.01 -0.90 -1.19 120.40 127.45 3hwx s VAL 282 Ca -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3hwx s VAL 282 Cb -0.13 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 33.88 3hwx s VAL 282 CO -0.02 0.47 0.15 -0.69 0.00 0.00 0.00 175.10 175.00 3hwx s VAL 283 N 1.03 3.47 -0.16 2.92 1.01 0.21 -0.75 120.40 128.12 3hwx s VAL 283 Ca -0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 3hwx s VAL 283 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3hwx s VAL 283 CO -0.01 -0.44 0.38 -1.58 0.00 0.00 0.00 175.10 173.45 3hwx s GLN 284 N 1.26 4.26 -0.28 2.72 0.74 0.99 -2.06 119.66 127.29 3hwx s GLN 284 Ca 0.03 0.22 -0.04 0.00 0.05 0.00 0.00 55.36 55.62 3hwx s GLN 284 Cb -0.22 -3.46 0.02 0.00 1.10 0.00 0.00 33.01 30.45 3hwx s GLN 284 CO -0.01 0.13 0.02 -0.51 -0.55 0.00 0.00 175.29 174.37 3hwx s LEU 285 N 0.77 3.62 0.00 3.68 1.43 0.24 -0.40 118.68 128.02 3hwx s LEU 285 Ca 0.20 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 3hwx s LEU 285 Cb -0.14 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3hwx s LEU 285 CO 0.07 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3hwx n GLY 286 N 4.76 -1.18 0.00 -3.19 0.00 0.25 0.15 105.19 105.98 3hwx n GLY 286 Ca -0.15 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3hwx n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hwx n SER 287 N -1.49 0.00 -3.55 1.61 3.41 -1.25 -3.94 113.62 108.41 3hwx n SER 287 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 3hwx n SER 287 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3hwx n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hwx n SER 288 N 0.00 -4.70 -4.75 4.04 7.64 -1.26 -0.73 113.62 113.86 3hwx n SER 288 Ca 0.00 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.60 3hwx n SER 288 Cb 0.00 -4.13 -0.03 0.00 -1.01 0.00 0.00 64.21 59.04 3hwx n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hwx s LEU 289 N -6.18 4.43 -0.03 -3.43 1.02 -1.26 -4.72 118.68 108.51 3hwx s LEU 289 Ca 0.35 2.56 -0.01 0.00 0.02 0.00 0.00 54.13 57.05 3hwx s LEU 289 Cb -0.09 -3.63 -0.00 0.00 0.02 0.00 0.00 46.19 42.48 3hwx s LEU 289 CO 0.81 -0.53 -0.03 0.74 0.02 0.00 0.00 176.35 177.37 3hwx h THR 290 N 3.34 0.00 -2.43 5.49 2.02 -1.97 -3.48 112.91 115.88 3hwx h THR 290 Ca -0.47 -0.23 -0.60 0.00 0.77 0.00 0.00 66.41 65.88 3hwx h THR 290 Cb 1.22 0.00 0.15 0.00 -1.74 0.00 0.00 68.15 67.78 3hwx h THR 290 CO 0.71 0.00 -0.35 0.61 0.37 0.00 0.00 175.52 176.86 3hwx n GLY 291 N 1.80 -1.38 0.07 2.16 0.00 -1.26 -4.91 105.19 101.68 3hwx n GLY 291 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3hwx n GLY 291 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hwx h LYS 292 N 0.84 0.09 0.00 1.61 3.64 -1.94 -3.03 116.57 117.78 3hwx h LYS 292 Ca -0.41 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 3hwx h LYS 292 Cb 1.39 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3hwx h LYS 292 CO 0.52 0.36 -0.34 0.00 -2.27 0.00 0.00 179.45 177.71 3hwx h ARG 293 N -0.19 0.00 -0.34 1.90 2.47 -1.92 -2.34 114.38 113.97 3hwx h ARG 293 Ca 0.02 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.59 3hwx h ARG 293 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3hwx h ARG 293 CO 0.00 0.34 -0.36 1.25 0.56 0.00 0.00 179.97 181.76 3hwx h LEU 294 N 0.00 0.84 -0.97 3.04 5.85 -1.89 0.38 115.31 122.56 3hwx h LEU 294 Ca -0.00 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 3hwx h LEU 294 Cb 0.60 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3hwx h LEU 294 CO 0.04 1.11 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.76 3hwx h LEU 295 N 0.66 0.19 0.08 2.25 3.38 -1.31 0.49 115.31 121.05 3hwx h LEU 295 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hwx h LEU 295 Cb 0.92 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hwx h LEU 295 CO 0.08 0.60 -0.04 1.56 0.09 0.00 0.00 178.44 180.74 3hwx h GLN 296 N 0.15 -0.10 -0.45 1.13 4.20 -1.34 0.18 115.11 118.87 3hwx h GLN 296 Ca 0.01 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.82 3hwx h GLN 296 Cb 0.82 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.54 3hwx h GLN 296 CO 0.06 0.44 -0.16 2.35 -0.67 0.00 0.00 178.83 180.85 3hwx h TRP 297 N -0.75 -0.38 -0.60 2.96 7.01 -0.67 -0.26 115.95 123.27 3hwx h TRP 297 Ca -0.01 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3hwx h TRP 297 Cb 0.59 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 3hwx h TRP 297 CO 0.12 -0.25 0.31 0.37 -2.79 0.00 0.00 178.44 176.21 3hwx h GLN 298 N -0.06 0.84 -0.89 2.65 -0.00 -0.04 0.55 115.11 118.16 3hwx h GLN 298 Ca 0.22 -0.11 0.11 0.00 -0.00 0.00 0.00 58.65 58.87 3hwx h GLN 298 Cb 0.39 -0.16 -0.08 0.00 0.00 0.00 0.00 27.48 27.64 3hwx h GLN 298 CO -0.50 0.66 0.53 0.00 0.00 0.00 0.00 178.83 179.52 3hwx h ALA 299 N 1.14 1.31 0.00 3.38 0.00 0.96 -3.24 119.26 122.81 3hwx h ALA 299 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hwx h ALA 299 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hwx h ALA 299 CO -0.03 0.13 -0.90 -1.13 0.00 0.00 0.00 179.25 177.32 3hwx n SER 300 N -4.71 1.10 -4.65 0.00 3.41 -0.27 -4.90 113.62 103.61 3hwx n SER 300 Ca 0.16 -0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 57.87 3hwx n SER 300 Cb 0.32 1.19 0.05 0.00 -0.26 0.00 0.00 64.21 65.51 3hwx n SER 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n GLU 302 N -1.07 1.99 -0.82 0.00 1.02 -1.26 -5.00 120.64 115.50 3hwx n GLU 302 Ca 0.13 -3.66 -0.30 0.00 -0.02 0.00 0.00 57.16 53.31 3hwx n GLU 302 Cb 0.46 -1.63 0.18 0.00 -0.02 0.00 0.00 31.44 30.43 3hwx n GLU 302 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hwx s PRO 303 N -3.40 0.56 0.25 3.49 0.04 -1.26 -4.90 135.00 129.78 3hwx s PRO 303 Ca 0.34 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 3hwx s PRO 303 Cb 0.41 -1.71 0.30 0.00 0.04 0.00 0.00 34.50 33.54 3hwx s PRO 303 CO -0.03 -2.81 1.82 0.93 0.04 0.00 0.00 177.00 176.96 3hwx h GLU 304 N -1.97 1.02 -3.60 4.56 5.08 0.07 -3.43 114.58 116.30 3hwx h GLU 304 Ca -0.51 -0.18 -0.19 0.00 -1.00 0.00 0.00 59.36 57.49 3hwx h GLU 304 Cb 1.29 -0.17 -0.25 0.00 0.50 0.00 0.00 28.75 30.12 3hwx h GLU 304 CO 0.48 0.84 -0.61 -1.21 -1.00 0.00 0.00 179.01 177.52 3hwx s GLU 305 N -5.44 0.22 -0.24 2.33 2.02 -0.78 -4.83 118.70 111.98 3hwx s GLU 305 Ca -0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.74 3hwx s GLU 305 Cb 0.16 0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.50 3hwx s GLU 305 CO 0.82 -0.04 -0.05 -0.47 0.02 0.00 0.00 175.26 175.54 3hwx s TYR 306 N -0.51 3.04 -0.11 1.61 6.14 -0.89 -2.11 117.35 124.53 3hwx s TYR 306 Ca -0.06 -1.42 -0.04 0.00 0.64 0.00 0.00 57.07 56.19 3hwx s TYR 306 Cb -0.04 -2.08 -0.04 0.00 0.42 0.00 0.00 41.96 40.23 3hwx s TYR 306 CO 0.00 -0.69 0.04 -1.58 0.64 0.00 0.00 175.55 173.96 3hwx s TRP 307 N 1.36 3.28 -0.05 4.97 0.52 0.07 -0.16 118.94 128.93 3hwx s TRP 307 Ca 0.01 0.25 -0.01 0.00 0.02 0.00 0.00 56.10 56.38 3hwx s TRP 307 Cb -0.16 -1.86 0.03 0.00 -1.15 0.00 0.00 33.47 30.32 3hwx s TRP 307 CO -0.04 0.49 0.01 0.42 0.02 0.00 0.00 176.95 177.85 3hwx s ILE 308 N -0.74 0.21 -0.16 2.03 1.01 -1.06 -0.01 121.20 122.48 3hwx s ILE 308 Ca 0.12 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3hwx s ILE 308 Cb -0.12 -0.36 0.03 0.00 0.01 0.00 0.00 42.46 42.02 3hwx s ILE 308 CO 0.02 0.20 -0.14 -0.69 0.00 0.00 0.00 174.94 174.33 3hwx s VAL 309 N 1.62 1.66 0.00 2.92 1.01 0.46 -0.76 120.40 127.30 3hwx s VAL 309 Ca -0.01 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 3hwx s VAL 309 Cb -0.13 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.76 3hwx s VAL 309 CO -0.03 0.42 0.73 -0.62 0.00 0.00 0.00 175.10 175.60 3hwx s ASP 310 N 1.44 -0.55 -0.14 3.32 -1.08 -1.04 0.84 116.67 119.47 3hwx s ASP 310 Ca 0.04 0.35 0.06 0.00 -0.52 0.00 0.00 52.55 52.47 3hwx s ASP 310 Cb -0.13 0.50 0.38 0.00 -1.46 0.00 0.00 42.92 42.21 3hwx s ASP 310 CO -0.11 -0.68 1.19 -0.90 0.52 0.00 0.00 175.17 175.20 3hwx n ASP 311 N 0.32 3.33 -4.63 -0.34 5.68 -0.81 -1.95 116.55 118.16 3hwx n ASP 311 Ca -0.16 -2.53 -0.33 0.00 -0.50 0.00 0.00 54.79 51.27 3hwx n ASP 311 Cb 0.60 -0.61 -0.10 0.00 -1.14 0.00 0.00 41.12 39.87 3hwx n ASP 311 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3hwx s ILE 312 N -1.80 3.86 0.79 2.12 -4.36 -1.26 -4.87 121.20 115.68 3hwx s ILE 312 Ca 0.27 -0.63 -0.11 0.00 -0.26 0.00 0.00 60.65 59.91 3hwx s ILE 312 Cb 0.21 -2.67 0.06 0.00 1.25 0.00 0.00 42.46 41.31 3hwx s ILE 312 CO 0.07 0.44 1.09 -1.61 0.24 0.00 0.00 174.94 175.17 3hwx s GLU 313 N -1.32 2.17 0.06 0.37 2.02 -1.26 -4.86 118.70 115.87 3hwx s GLU 313 Ca 0.17 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.84 3hwx s GLU 313 Cb -0.11 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.19 3hwx s GLU 313 CO 0.07 -1.57 0.00 0.41 0.02 0.00 0.00 175.26 174.18 3hwx n GLY 314 N -2.05 -1.47 3.77 -1.39 0.00 -1.26 -4.92 105.19 97.87 3hwx n GLY 314 Ca 0.07 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 3hwx n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 315 N -1.34 4.33 0.00 1.61 0.52 -1.26 -4.95 118.95 117.86 3hwx s ARG 315 Ca 0.00 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.11 3hwx s ARG 315 Cb 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.54 3hwx s ARG 315 CO 0.00 -0.10 0.48 1.28 0.02 0.00 0.00 175.30 176.98 3hwx n LEU 316 N 0.61 0.78 -4.35 2.53 4.77 -1.26 -4.99 117.00 115.09 3hwx n LEU 316 Ca 0.01 -0.78 -0.45 0.00 -0.03 0.00 0.00 56.01 54.76 3hwx n LEU 316 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 3hwx n LEU 316 CO 0.53 0.20 0.06 -0.62 -1.33 0.00 0.00 177.39 176.23 3hwx s ASP 317 N -0.23 6.13 0.00 -1.43 -1.08 -1.26 -4.90 116.67 113.90 3hwx s ASP 317 Ca 0.00 -1.50 0.15 0.00 -0.52 0.00 0.00 52.55 50.68 3hwx s ASP 317 Cb 0.00 -2.18 0.65 0.00 -1.46 0.00 0.00 42.92 39.93 3hwx s ASP 317 CO 0.00 -0.71 1.46 -2.65 0.52 0.00 0.00 175.17 173.79 3hwx n PRO 318 N 5.20 0.04 -0.00 4.34 -0.02 -1.26 -2.55 135.00 140.75 3hwx n PRO 318 Ca -0.13 0.23 0.10 0.00 -2.02 0.00 0.00 63.50 61.68 3hwx n PRO 318 Cb 0.42 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.27 3hwx n PRO 318 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hwx n ALA 319 N -1.46 4.25 -3.24 3.55 0.00 -1.26 -5.02 120.51 117.32 3hwx n ALA 319 Ca 0.04 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 3hwx n ALA 319 Cb 0.16 -0.76 0.08 0.00 0.00 0.00 0.00 19.45 18.93 3hwx n ALA 319 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hwx n HIS 320 N -1.70 -1.92 -2.04 0.00 -0.00 -1.06 -4.99 115.22 103.51 3hwx n HIS 320 Ca 0.02 0.81 -0.38 0.00 -0.00 0.00 0.00 57.72 58.16 3hwx n HIS 320 Cb 0.39 -4.60 0.01 0.00 -0.00 0.00 0.00 29.99 25.79 3hwx n HIS 320 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3hwx s HIS 321 N -3.30 2.65 0.26 4.41 3.76 -1.26 -4.99 115.29 116.82 3hwx s HIS 321 Ca 0.05 1.45 -0.31 0.00 -0.15 0.00 0.00 55.06 56.11 3hwx s HIS 321 Cb -0.02 -3.59 -0.13 0.00 1.11 0.00 0.00 32.58 29.95 3hwx s HIS 321 CO 0.62 -2.13 1.46 -2.13 -0.85 0.00 0.00 174.74 171.71 3hwx n ARG 322 N -0.57 2.26 0.00 1.40 0.63 -1.26 -4.79 116.66 114.33 3hwx n ARG 322 Ca 0.08 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 3hwx n ARG 322 Cb 0.46 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.87 3hwx n ARG 322 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hwx n GLY 323 N 2.07 -0.42 3.15 5.14 0.00 -1.26 -2.09 105.19 111.79 3hwx n GLY 323 Ca 0.10 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 3hwx n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 324 N -2.00 0.76 -0.24 1.61 0.52 0.78 -4.92 118.95 115.45 3hwx s ARG 324 Ca 0.00 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3hwx s ARG 324 Cb 0.00 -0.55 0.07 0.00 0.52 0.00 0.00 34.95 34.99 3hwx s ARG 324 CO 0.00 0.10 -0.02 0.50 0.02 0.00 0.00 175.30 175.90 3hwx s ARG 325 N -2.24 1.35 -0.25 3.54 6.06 -1.26 -2.56 118.95 123.59 3hwx s ARG 325 Ca -0.00 -0.95 -0.05 0.00 -2.50 0.00 0.00 55.73 52.23 3hwx s ARG 325 Cb -0.06 -2.48 -0.00 0.00 0.06 0.00 0.00 34.95 32.46 3hwx s ARG 325 CO 0.01 -0.67 -0.00 -0.51 -2.50 0.00 0.00 175.30 171.63 3hwx s LEU 326 N 1.47 3.23 -0.41 -0.88 1.43 0.06 -5.02 118.68 118.56 3hwx s LEU 326 Ca -0.02 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.34 3hwx s LEU 326 Cb -0.18 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3hwx s LEU 326 CO -0.09 -0.08 0.71 -0.63 0.23 0.00 0.00 176.35 176.50 3hwx s ILE 327 N 1.48 4.76 -0.02 -0.59 1.09 -1.26 -2.49 121.20 124.17 3hwx s ILE 327 Ca 0.04 0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 59.77 3hwx s ILE 327 Cb -0.15 -4.22 0.09 0.00 -1.06 0.00 0.00 42.46 37.12 3hwx s ILE 327 CO -0.01 -0.55 0.77 0.00 -0.10 0.00 0.00 174.94 175.05 3hwx s ALA 328 N 3.01 -1.78 0.03 9.38 0.00 -0.82 -1.93 121.76 129.65 3hwx s ALA 328 Ca 0.27 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 3hwx s ALA 328 Cb -0.13 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 3hwx s ALA 328 CO 0.19 -0.50 1.83 1.21 0.00 0.00 0.00 175.76 178.49 3hwx s ASN 329 N -1.73 6.52 0.13 0.00 3.84 -1.26 -1.92 114.94 120.52 3hwx s ASN 329 Ca -0.04 2.55 -0.30 0.00 0.21 0.00 0.00 52.86 55.29 3hwx s ASN 329 Cb -0.00 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.09 3hwx s ASN 329 CO -0.00 -0.99 1.58 0.40 -2.79 0.00 0.00 177.10 175.29 3hwx h ILE 330 N 5.39 0.12 -0.93 -5.21 2.04 -1.93 0.97 117.51 117.97 3hwx h ILE 330 Ca -0.46 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3hwx h ILE 330 Cb 1.22 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3hwx h ILE 330 CO 0.94 0.00 0.60 0.00 0.00 0.00 0.00 178.15 179.69 3hwx h ALA 331 N 0.06 1.52 -0.59 1.87 0.00 -1.93 0.71 119.26 120.90 3hwx h ALA 331 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hwx h ALA 331 Cb 0.64 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hwx h ALA 331 CO -0.41 0.33 0.25 -0.44 0.00 0.00 0.00 179.25 178.98 3hwx h ASP 332 N 1.03 0.78 -0.34 0.00 5.19 -1.74 -2.56 116.42 118.77 3hwx h ASP 332 Ca 0.41 -0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.57 3hwx h ASP 332 Cb 0.26 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 3hwx h ASP 332 CO -0.17 0.69 -0.40 -0.25 -3.12 0.00 0.00 179.24 176.00 3hwx h TRP 333 N 0.85 1.05 -0.36 4.55 7.01 0.15 -2.89 115.95 126.30 3hwx h TRP 333 Ca 0.20 -0.33 -0.03 0.00 2.11 0.00 0.00 58.89 60.85 3hwx h TRP 333 Cb 0.15 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 3hwx h TRP 333 CO 0.01 1.14 0.13 -0.07 -2.79 0.00 0.00 178.44 176.86 3hwx h LEU 334 N 0.66 0.52 -1.02 0.65 3.38 -1.15 0.43 115.31 118.77 3hwx h LEU 334 Ca 0.05 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.94 3hwx h LEU 334 Cb 0.99 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 3hwx h LEU 334 CO 0.10 0.57 0.63 -0.33 0.09 0.00 0.00 178.44 179.50 3hwx h GLU 335 N 0.44 0.98 0.01 1.13 5.08 -1.46 -2.02 114.58 118.74 3hwx h GLU 335 Ca 0.12 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 3hwx h GLU 335 Cb 0.23 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3hwx h GLU 335 CO -0.01 0.65 -0.93 1.25 -1.00 0.00 0.00 179.01 178.97 3hwx h LEU 336 N 1.00 0.08 -6.73 1.33 5.85 -1.23 -3.32 115.31 112.29 3hwx h LEU 336 Ca 0.49 -0.08 -0.66 0.00 0.84 0.00 0.00 57.88 58.47 3hwx h LEU 336 Cb 0.46 -0.03 -0.38 0.00 0.37 0.00 0.00 40.66 41.09 3hwx h LEU 336 CO -0.25 0.96 -0.25 1.41 -0.34 0.00 0.00 178.44 179.97 3hwx n HIS 337 N -3.50 3.51 -1.05 1.25 8.25 0.15 -4.96 115.22 118.86 3hwx n HIS 337 Ca -0.02 -3.94 -0.31 0.00 -0.26 0.00 0.00 57.72 53.20 3hwx n HIS 337 Cb 0.86 -0.82 0.13 0.00 1.12 0.00 0.00 29.99 31.28 3hwx n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hwx s PRO 338 N -2.10 1.60 0.05 -0.41 0.04 -0.90 -4.71 135.00 128.57 3hwx s PRO 338 Ca 0.33 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3hwx s PRO 338 Cb 0.05 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 3hwx s PRO 338 CO -0.05 -2.12 0.15 0.00 0.04 0.00 0.00 177.00 175.02 3hwx s ALA 339 N -2.81 3.82 0.07 8.56 0.00 -1.26 -5.04 121.76 125.10 3hwx s ALA 339 Ca 0.63 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.78 3hwx s ALA 339 Cb -0.19 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3hwx s ALA 339 CO 0.57 0.78 -0.16 -2.00 0.00 0.00 0.00 175.76 174.95 3hwx s GLU 340 N -2.30 2.02 -0.12 0.00 2.12 -1.26 -4.94 118.70 114.23 3hwx s GLU 340 Ca 0.31 -1.03 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 3hwx s GLU 340 Cb -0.13 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 3hwx s GLU 340 CO 0.23 0.52 1.83 0.21 -0.54 0.00 0.00 175.26 177.51 3hwx s LYS 341 N -1.77 3.85 0.16 4.30 2.47 -1.26 -4.18 119.74 123.30 3hwx s LYS 341 Ca 0.17 2.09 0.03 0.00 -1.56 0.00 0.00 55.97 56.70 3hwx s LYS 341 Cb -0.11 -4.12 -0.05 0.00 -1.46 0.00 0.00 37.83 32.10 3hwx s LYS 341 CO 0.08 -1.26 -0.06 1.03 0.16 0.00 0.00 175.35 175.30 3hwx s ARG 342 N 4.79 1.08 -0.08 4.03 0.52 -0.95 -5.03 118.95 123.31 3hwx s ARG 342 Ca 0.82 -1.49 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 3hwx s ARG 342 Cb -0.33 -0.49 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 3hwx s ARG 342 CO 0.34 -0.01 0.20 1.14 0.02 0.00 0.00 175.30 176.99 3hwx s GLN 343 N -3.81 3.54 0.18 3.54 -2.07 -1.26 -3.93 119.66 115.84 3hwx s GLN 343 Ca 0.19 -0.05 -0.32 0.00 -1.82 0.00 0.00 55.36 53.37 3hwx s GLN 343 Cb 0.04 -3.17 -0.16 0.00 -1.09 0.00 0.00 33.01 28.62 3hwx s GLN 343 CO 0.02 0.74 0.97 -2.30 -1.32 0.00 0.00 175.29 173.40 3hwx n PRO 344 N 1.77 0.77 -0.01 9.60 -0.02 -1.26 -4.77 135.00 141.08 3hwx n PRO 344 Ca -0.17 0.27 0.10 0.00 -2.02 0.00 0.00 63.50 61.68 3hwx n PRO 344 Cb 0.54 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.24 3hwx n PRO 344 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3hwx n TRP 345 N 0.93 0.00 -3.06 6.00 4.27 -1.19 -4.95 117.44 119.44 3hwx n TRP 345 Ca 0.15 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.37 3hwx n TRP 345 Cb 0.24 -0.39 -0.06 0.00 -1.36 0.00 0.00 31.31 29.74 3hwx n TRP 345 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hwx n VAL 347 N 2.16 0.00 -0.03 0.00 0.31 -1.26 -4.85 118.33 114.66 3hwx n VAL 347 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.21 3hwx n VAL 347 Cb 0.50 -0.23 -0.13 0.00 -0.91 0.00 0.00 33.84 33.07 3hwx n VAL 347 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3hwx n GLU 348 N -0.98 0.64 0.08 5.55 0.28 -1.26 -4.42 120.64 120.53 3hwx n GLU 348 Ca 0.00 0.20 -0.12 0.00 -0.16 0.00 0.00 57.16 57.08 3hwx n GLU 348 Cb 0.15 -1.73 -0.05 0.00 1.43 0.00 0.00 31.44 31.24 3hwx n GLU 348 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3hwx h ILE 349 N 0.00 0.61 -0.88 3.84 2.04 -1.90 -2.47 117.51 118.74 3hwx h ILE 349 Ca -0.31 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.76 3hwx h ILE 349 Cb 1.94 0.61 -0.12 0.00 -0.74 0.00 0.00 36.82 38.51 3hwx h ILE 349 CO 0.06 0.00 0.38 -0.65 0.00 0.00 0.00 178.15 177.94 3hwx h PRO 350 N -0.31 0.41 0.33 2.37 0.11 -1.89 0.24 132.00 133.28 3hwx h PRO 350 Ca 0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3hwx h PRO 350 Cb 0.34 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 3hwx h PRO 350 CO -0.12 0.27 -0.49 0.00 -0.21 0.00 0.00 178.00 177.45 3hwx h ARG 351 N 0.42 -0.83 -0.97 1.05 -0.00 -1.70 -2.09 114.38 110.27 3hwx h ARG 351 Ca 0.53 0.06 0.22 0.00 -0.50 0.00 0.00 59.98 60.29 3hwx h ARG 351 Cb 0.97 0.19 -0.12 0.00 0.00 0.00 0.00 29.97 31.01 3hwx h ARG 351 CO -0.50 -0.55 0.55 -0.07 0.00 0.00 0.00 179.97 179.40 3hwx h LEU 352 N -0.86 0.64 0.79 3.04 3.38 -0.43 0.60 115.31 122.47 3hwx h LEU 352 Ca -0.04 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hwx h LEU 352 Cb 0.78 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hwx h LEU 352 CO -0.14 0.14 -0.38 0.00 0.09 0.00 0.00 178.44 178.15 3hwx h ALA 353 N 1.69 -1.06 -0.92 1.53 0.00 -0.33 -1.21 119.26 118.96 3hwx h ALA 353 Ca 0.60 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.48 3hwx h ALA 353 Cb 1.07 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 3hwx h ALA 353 CO -0.45 -1.03 0.46 1.49 0.00 0.00 0.00 179.25 179.72 3hwx h GLU 354 N -1.19 0.49 -0.40 0.00 4.81 -0.74 0.46 114.58 118.01 3hwx h GLU 354 Ca -0.11 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3hwx h GLU 354 Cb 0.83 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3hwx h GLU 354 CO 0.18 0.33 -0.10 1.96 -0.73 0.00 0.00 179.01 180.64 3hwx h GLN 355 N 0.51 0.70 -0.29 1.92 4.20 -0.73 -1.91 115.11 119.51 3hwx h GLN 355 Ca 0.56 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 3hwx h GLN 355 Cb 1.00 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3hwx h GLN 355 CO -0.47 0.78 -0.31 0.00 -0.67 0.00 0.00 178.83 178.16 3hwx h ALA 356 N 1.25 0.43 -0.78 3.87 0.00 0.30 0.51 119.26 124.84 3hwx h ALA 356 Ca 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hwx h ALA 356 Cb 0.55 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3hwx h ALA 356 CO 0.03 0.47 0.52 1.98 0.00 0.00 0.00 179.25 182.24 3hwx h MET 357 N 0.47 1.02 -0.64 0.00 1.85 -1.24 -2.44 114.93 113.96 3hwx h MET 357 Ca 0.04 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3hwx h MET 357 Cb 0.89 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.66 3hwx h MET 357 CO 0.08 0.68 0.17 1.96 -0.40 0.00 0.00 176.91 179.40 3hwx h GLN 358 N 1.05 1.00 -0.85 0.39 4.20 -0.48 -1.40 115.11 119.03 3hwx h GLN 358 Ca 0.29 -0.23 0.11 0.00 0.06 0.00 0.00 58.65 58.87 3hwx h GLN 358 Cb -0.12 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.45 3hwx h GLN 358 CO -0.06 0.90 0.48 0.00 -0.67 0.00 0.00 178.83 179.47 3hwx h ALA 359 N 1.06 1.23 -0.30 3.87 0.00 -0.66 -2.45 119.26 122.01 3hwx h ALA 359 Ca 0.20 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3hwx h ALA 359 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hwx h ALA 359 CO -0.00 0.07 -0.14 0.28 0.00 0.00 0.00 179.25 179.46 3hwx h VAL 360 N 0.77 1.29 0.00 0.00 2.07 -0.92 -3.20 116.25 116.27 3hwx h VAL 360 Ca 0.42 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 3hwx h VAL 360 Cb 0.44 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3hwx h VAL 360 CO -0.27 0.39 -0.49 0.16 0.02 0.00 0.00 177.57 177.38 3hwx h ILE 361 N 0.37 1.14 0.00 4.57 3.07 -0.96 -0.97 117.51 124.74 3hwx h ILE 361 Ca 0.07 -1.79 -0.01 0.00 1.55 0.00 0.00 64.86 64.68 3hwx h ILE 361 Cb 0.66 2.03 -0.00 0.00 -0.27 0.00 0.00 36.82 39.23 3hwx h ILE 361 CO 0.04 0.48 -0.03 0.00 -1.05 0.00 0.00 178.15 177.59 3hwx h ALA 362 N 1.51 1.37 -0.69 0.16 0.00 -1.44 -2.31 119.26 117.86 3hwx h ALA 362 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hwx h ALA 362 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hwx h ALA 362 CO 0.06 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.89 3hwx n ARG 363 N -3.66 3.32 0.18 0.00 5.12 -0.38 -4.71 116.66 116.54 3hwx n ARG 363 Ca -0.03 -2.81 0.12 0.00 -1.93 0.00 0.00 57.85 53.21 3hwx n ARG 363 Cb 0.12 -1.76 0.26 0.00 -1.16 0.00 0.00 32.46 29.93 3hwx n ARG 363 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3hwx h ARG 364 N 4.21 0.00 0.00 5.56 0.11 -1.32 -3.35 114.38 119.59 3hwx h ARG 364 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 3hwx h ARG 364 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 3hwx h ARG 364 CO 0.13 0.00 -0.30 -0.44 0.10 0.00 0.00 179.97 179.46 3hwx h ASP 365 N 0.00 0.00 -3.47 0.08 3.32 -1.84 -3.45 116.42 111.06 3hwx h ASP 365 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3hwx h ASP 365 Cb 0.90 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.48 3hwx h ASP 365 CO 0.00 0.30 0.65 0.00 -1.72 0.00 0.00 179.24 178.46 3hwx s ALA 366 N -3.38 3.52 -0.82 3.45 0.00 -1.26 -4.90 121.76 118.37 3hwx s ALA 366 Ca 0.02 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 3hwx s ALA 366 Cb 0.09 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 3hwx s ALA 366 CO 0.68 -0.54 2.48 0.34 0.00 0.00 0.00 175.76 178.71 3hwx n PHE 367 N 2.31 1.21 -4.14 0.00 7.35 -1.26 -4.60 117.46 118.33 3hwx n PHE 367 Ca 0.05 -1.96 -0.20 0.00 -0.76 0.00 0.00 57.45 54.58 3hwx n PHE 367 Cb 0.43 -1.74 -0.02 0.00 0.35 0.00 0.00 39.48 38.50 3hwx n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hwx n GLY 368 N 3.40 3.31 0.13 7.13 0.00 -1.26 -4.92 105.19 112.99 3hwx n GLY 368 Ca 0.48 -2.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 3hwx n GLY 368 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hwx h GLU 369 N 0.00 0.08 -0.00 1.61 4.11 -1.94 0.76 114.58 119.21 3hwx h GLU 369 Ca -0.26 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.10 3hwx h GLU 369 Cb 0.86 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hwx h GLU 369 CO 0.42 0.74 -0.00 0.00 0.07 0.00 0.00 179.01 180.24 3hwx h ALA 370 N 1.24 0.00 -0.92 1.06 0.00 -1.90 -0.93 119.26 117.81 3hwx h ALA 370 Ca -0.01 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.77 3hwx h ALA 370 Cb 1.23 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3hwx h ALA 370 CO 0.10 -0.27 0.56 1.96 0.00 0.00 0.00 179.25 181.60 3hwx h GLN 371 N -0.45 0.90 0.40 0.00 7.50 -1.80 0.23 115.11 121.89 3hwx h GLN 371 Ca 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 3hwx h GLN 371 Cb 0.46 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3hwx h GLN 371 CO 0.00 0.60 -0.21 1.25 -1.50 0.00 0.00 178.83 178.97 3hwx h LEU 372 N 0.93 -0.50 -0.39 1.46 5.85 -0.73 -1.93 115.31 120.00 3hwx h LEU 372 Ca 0.44 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.24 3hwx h LEU 372 Cb 0.38 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3hwx h LEU 372 CO -0.24 -0.34 0.07 0.00 -0.34 0.00 0.00 178.44 177.58 3hwx h ALA 373 N 0.03 0.41 -0.78 1.25 0.00 -0.84 0.13 119.26 119.47 3hwx h ALA 373 Ca -0.05 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3hwx h ALA 373 Cb 0.44 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 3hwx h ALA 373 CO 0.08 -0.33 0.26 1.25 0.00 0.00 0.00 179.25 180.50 3hwx h HIS 374 N 0.19 0.42 -0.69 0.00 -0.00 -0.46 -2.93 115.15 111.68 3hwx h HIS 374 Ca 0.19 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3hwx h HIS 374 Cb 0.22 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 3hwx h HIS 374 CO -0.20 -0.03 0.00 0.54 -0.00 0.00 0.00 177.93 178.23 3hwx n ARG 375 N -5.09 2.97 0.22 5.26 1.74 -0.13 -4.47 116.66 117.15 3hwx n ARG 375 Ca 0.16 -2.62 0.09 0.00 -0.77 0.00 0.00 57.85 54.70 3hwx n ARG 375 Cb 0.49 -1.66 0.63 0.00 -1.02 0.00 0.00 32.46 30.90 3hwx n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hwx h ILE 376 N 4.09 0.98 -0.06 0.55 6.09 -0.91 -1.79 117.51 126.48 3hwx h ILE 376 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3hwx h ILE 376 Cb 1.10 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.32 3hwx h ILE 376 CO 0.07 0.01 0.00 0.00 -3.07 0.00 0.00 178.15 175.16 3hwx n ASP 378 N -0.38 0.20 -0.02 0.00 8.00 -0.67 -4.02 116.55 119.65 3hwx n ASP 378 Ca 0.16 0.53 0.01 0.00 0.71 0.00 0.00 54.79 56.20 3hwx n ASP 378 Cb 0.17 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 3hwx n ASP 378 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hwx n TYR 379 N -1.70 0.00 -1.80 1.24 4.01 -0.54 -5.00 117.16 113.36 3hwx n TYR 379 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 3hwx n TYR 379 Cb 0.29 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 3hwx n TYR 379 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hwx s LEU 380 N -1.58 4.33 0.20 7.72 1.43 -1.18 -4.92 118.68 124.68 3hwx s LEU 380 Ca 0.01 2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 55.25 3hwx s LEU 380 Cb 0.02 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.60 3hwx s LEU 380 CO 0.06 -1.06 1.62 -2.16 0.23 0.00 0.00 176.35 175.05 3hwx s PRO 381 N 4.40 4.18 -0.09 1.29 0.04 -1.26 -4.91 135.00 138.64 3hwx s PRO 381 Ca 0.83 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 64.04 3hwx s PRO 381 Cb -0.38 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 3hwx s PRO 381 CO 0.37 -0.65 1.30 -2.00 0.04 0.00 0.00 177.00 176.06 3hwx s GLU 382 N 0.92 4.27 -0.42 4.56 2.12 -1.26 0.55 118.70 129.44 3hwx s GLU 382 Ca 0.70 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.80 3hwx s GLU 382 Cb -0.46 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.25 3hwx s GLU 382 CO 0.34 -0.61 0.00 1.04 -0.54 0.00 0.00 175.26 175.48 3hwx n GLN 383 N 5.98 -0.68 0.00 4.30 1.13 -1.26 -4.93 117.38 121.92 3hwx n GLN 383 Ca 0.13 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 3hwx n GLN 383 Cb 0.45 -4.20 0.00 0.00 0.11 0.00 0.00 30.24 26.60 3hwx n GLN 383 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hwx n GLY 384 N -1.70 1.46 3.19 1.08 0.00 0.19 -4.54 105.19 104.87 3hwx n GLY 384 Ca -0.04 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 3hwx n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hwx s GLN 385 N 2.64 0.72 -0.21 1.61 -2.07 -0.58 -4.54 119.66 117.23 3hwx s GLN 385 Ca 0.00 -0.64 -0.03 0.00 -1.82 0.00 0.00 55.36 52.87 3hwx s GLN 385 Cb 0.00 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3hwx s GLN 385 CO 0.00 -0.21 -0.07 -1.17 -1.32 0.00 0.00 175.29 172.52 3hwx s LEU 386 N -2.14 2.76 -0.40 2.60 2.96 -0.52 -1.53 118.68 122.41 3hwx s LEU 386 Ca -0.04 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 3hwx s LEU 386 Cb -0.01 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 45.00 3hwx s LEU 386 CO -0.04 -0.01 0.31 0.12 -1.32 0.00 0.00 176.35 175.40 3hwx s PHE 387 N 1.42 3.23 -0.13 5.38 5.36 0.36 0.37 117.98 133.96 3hwx s PHE 387 Ca 0.05 -0.47 -0.15 0.00 -0.96 0.00 0.00 56.93 55.40 3hwx s PHE 387 Cb -0.14 -2.61 -0.05 0.00 -0.34 0.00 0.00 43.02 39.88 3hwx s PHE 387 CO -0.05 -0.55 0.37 0.08 -1.46 0.00 0.00 175.22 173.61 3hwx s VAL 388 N 1.76 5.24 0.19 3.12 1.01 -0.34 -2.49 120.40 128.88 3hwx s VAL 388 Ca 0.06 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3hwx s VAL 388 Cb -0.18 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.54 3hwx s VAL 388 CO 0.11 0.39 0.14 0.61 0.00 0.00 0.00 175.10 176.35 3hwx n GLY 389 N 3.14 -2.96 0.00 4.51 0.00 -0.09 -4.41 105.19 105.38 3hwx n GLY 389 Ca -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3hwx n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwx n ASN 390 N -3.32 0.28 0.00 1.61 3.02 -1.26 -4.21 115.26 111.39 3hwx n ASN 390 Ca 0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3hwx n ASN 390 Cb 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3hwx n ASN 390 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3hwx n SER 391 N -1.79 0.00 -0.02 6.41 2.88 -1.26 -3.41 113.62 116.43 3hwx n SER 391 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 3hwx n SER 391 Cb 0.00 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.17 3hwx n SER 391 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hwx h LEU 392 N 0.00 0.00 0.41 2.46 3.38 -1.97 -3.21 115.31 116.38 3hwx h LEU 392 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hwx h LEU 392 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hwx h LEU 392 CO 0.00 0.00 -0.19 1.62 0.09 0.00 0.00 178.44 179.96 3hwx h VAL 393 N 0.00 0.45 -0.73 1.22 3.04 -1.89 0.22 116.25 118.55 3hwx h VAL 393 Ca 0.28 -0.58 0.13 0.00 -1.01 0.00 0.00 66.70 65.52 3hwx h VAL 393 Cb 1.14 0.66 -0.05 0.00 -2.01 0.00 0.00 31.29 31.04 3hwx h VAL 393 CO -0.00 0.08 0.49 1.62 -1.01 0.00 0.00 177.57 178.75 3hwx h VAL 394 N -0.94 0.84 -0.01 1.51 3.04 -1.73 -0.87 116.25 118.08 3hwx h VAL 394 Ca -0.06 -0.16 -0.17 0.00 -1.01 0.00 0.00 66.70 65.30 3hwx h VAL 394 Cb 0.55 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 3hwx h VAL 394 CO 0.09 0.09 -0.78 0.03 -1.01 0.00 0.00 177.57 175.99 3hwx h ARG 395 N 0.47 0.14 -0.02 4.17 3.08 -1.44 -2.80 114.38 117.98 3hwx h ARG 395 Ca 0.35 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3hwx h ARG 395 Cb 0.72 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3hwx h ARG 395 CO -0.12 0.85 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.49 3hwx h LEU 396 N 0.09 0.10 -0.98 3.04 3.38 0.76 -1.89 115.31 119.81 3hwx h LEU 396 Ca -0.02 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 3hwx h LEU 396 Cb 1.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3hwx h LEU 396 CO 0.11 0.70 0.21 0.40 0.09 0.00 0.00 178.44 179.95 3hwx h ILE 397 N -0.49 1.23 0.37 1.22 2.04 -1.37 0.64 117.51 121.15 3hwx h ILE 397 Ca -0.00 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3hwx h ILE 397 Cb 0.69 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3hwx h ILE 397 CO 0.01 0.31 -0.35 -0.78 0.00 0.00 0.00 178.15 177.34 3hwx h ASP 398 N 0.93 -0.94 -0.88 1.72 3.58 -1.53 0.10 116.42 119.39 3hwx h ASP 398 Ca 0.21 0.07 0.15 0.00 0.42 0.00 0.00 57.03 57.88 3hwx h ASP 398 Cb 0.24 0.31 -0.07 0.00 1.72 0.00 0.00 39.33 41.53 3hwx h ASP 398 CO -0.01 -0.46 0.57 0.00 -2.88 0.00 0.00 179.24 176.46 3hwx h ALA 399 N -1.21 1.88 0.00 -0.78 0.00 -1.00 -3.38 119.26 114.78 3hwx h ALA 399 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hwx h ALA 399 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hwx h ALA 399 CO -0.03 -0.13 -0.21 1.28 0.00 0.00 0.00 179.25 180.16 3hwx n LEU 400 N -4.56 0.00 -4.35 0.00 4.77 0.19 -3.94 117.00 109.10 3hwx n LEU 400 Ca 0.17 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.56 3hwx n LEU 400 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 3hwx n LEU 400 CO 0.30 0.00 -0.56 -0.55 -1.33 0.00 0.00 177.39 175.24 3hwx s SER 401 N -1.03 3.13 -0.27 -1.43 0.15 0.34 -4.46 113.70 110.13 3hwx s SER 401 Ca 0.00 -0.66 -0.03 0.00 0.70 0.00 0.00 55.95 55.96 3hwx s SER 401 Cb 0.00 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.09 3hwx s SER 401 CO 0.00 0.21 -0.01 -1.58 1.20 0.00 0.00 173.24 173.05 3hwx s GLN 402 N -1.61 2.90 0.23 5.44 0.74 -1.26 -4.71 119.66 121.39 3hwx s GLN 402 Ca 0.12 -0.95 -0.06 0.00 0.05 0.00 0.00 55.36 54.51 3hwx s GLN 402 Cb -0.10 -3.12 -0.06 0.00 1.10 0.00 0.00 33.01 30.83 3hwx s GLN 402 CO 0.04 -0.42 0.50 -0.51 -0.55 0.00 0.00 175.29 174.35 3hwx s LEU 403 N 1.38 4.16 0.46 3.68 1.43 -1.26 -4.82 118.68 123.70 3hwx s LEU 403 Ca 0.01 0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 3hwx s LEU 403 Cb -0.17 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 3hwx s LEU 403 CO -0.02 -0.08 1.16 -2.84 0.23 0.00 0.00 176.35 174.80 3hwx s PRO 404 N -3.05 3.76 0.25 1.29 0.02 -1.26 -4.15 135.00 131.87 3hwx s PRO 404 Ca 0.44 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 62.92 3hwx s PRO 404 Cb -0.11 -2.40 -0.14 0.00 0.02 0.00 0.00 34.50 31.87 3hwx s PRO 404 CO 0.25 -0.54 1.31 0.00 -0.33 0.00 0.00 177.00 177.69 3hwx n ALA 405 N -0.49 0.73 -0.89 -1.55 0.00 -1.26 -2.81 120.51 114.23 3hwx n ALA 405 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3hwx n ALA 405 Cb 0.48 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3hwx n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwx n GLY 406 N 1.81 0.37 3.70 0.00 0.00 0.19 -4.87 105.19 106.40 3hwx n GLY 406 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3hwx n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hwx s TYR 407 N -1.98 3.53 0.08 1.61 6.14 -1.13 -4.81 117.35 120.80 3hwx s TYR 407 Ca 0.00 1.35 -0.30 0.00 0.64 0.00 0.00 57.07 58.76 3hwx s TYR 407 Cb 0.00 -2.95 -0.05 0.00 0.42 0.00 0.00 41.96 39.37 3hwx s TYR 407 CO 0.00 -0.06 1.10 -2.14 0.64 0.00 0.00 175.55 175.09 3hwx s PRO 408 N 1.37 4.53 0.01 4.97 0.02 -1.26 -4.65 135.00 139.98 3hwx s PRO 408 Ca 0.41 1.64 0.07 0.00 0.02 0.00 0.00 61.00 63.14 3hwx s PRO 408 Cb -0.18 -3.36 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 3hwx s PRO 408 CO 0.18 -0.08 -0.22 0.08 -0.33 0.00 0.00 177.00 176.63 3hwx s VAL 409 N 0.62 1.73 0.11 3.83 1.01 -1.26 -1.44 120.40 125.01 3hwx s VAL 409 Ca 0.54 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3hwx s VAL 409 Cb -0.27 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3hwx s VAL 409 CO 0.30 0.40 -0.09 -0.31 0.00 0.00 0.00 175.10 175.40 3hwx s TYR 410 N -0.61 1.09 0.00 5.22 2.02 0.16 -4.95 117.35 120.27 3hwx s TYR 410 Ca 0.08 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 3hwx s TYR 410 Cb -0.09 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 3hwx s TYR 410 CO 0.00 -0.01 0.00 -1.13 -1.57 0.00 0.00 175.55 172.84 3hwx n SER 411 N 0.19 0.00 -4.11 2.29 3.41 -1.26 -1.20 113.62 112.94 3hwx n SER 411 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 3hwx n SER 411 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 3hwx n SER 411 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hwx n ASN 412 N 0.00 5.74 -0.84 4.04 3.02 -1.26 -4.80 115.26 121.16 3hwx n ASN 412 Ca 0.00 -3.24 0.08 0.00 -0.03 0.00 0.00 54.58 51.38 3hwx n ASN 412 Cb 0.00 -1.26 0.18 0.00 -0.61 0.00 0.00 39.78 38.09 3hwx n ASN 412 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hwx n ARG 413 N 1.91 2.42 0.29 3.52 5.12 -1.26 -3.00 116.66 125.66 3hwx n ARG 413 Ca 0.25 -2.07 -0.12 0.00 -1.93 0.00 0.00 57.85 53.97 3hwx n ARG 413 Cb 0.36 -1.36 -0.06 0.00 -1.16 0.00 0.00 32.46 30.24 3hwx n ARG 413 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3hwx h GLY 414 N 2.93 -0.82 -0.28 -0.13 0.00 -1.90 -3.38 103.07 99.49 3hwx h GLY 414 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3hwx h GLY 414 CO 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 176.54 175.98 3hwx n ALA 415 N -2.71 2.91 -3.72 3.60 0.00 -1.26 -5.02 120.51 114.31 3hwx n ALA 415 Ca -0.10 -0.36 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 3hwx n ALA 415 Cb 0.32 -0.32 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3hwx n ALA 415 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwx n SER 416 N -0.58 -5.44 -4.75 0.00 7.64 -1.16 -4.96 113.62 104.36 3hwx n SER 416 Ca 0.03 -0.64 -0.41 0.00 1.01 0.00 0.00 58.87 58.86 3hwx n SER 416 Cb 0.17 -4.32 -0.03 0.00 -1.01 0.00 0.00 64.21 59.03 3hwx n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hwx s GLY 417 N -3.23 2.71 -0.02 0.23 0.00 -1.26 -4.84 107.32 100.91 3hwx s GLY 417 Ca 0.61 1.19 0.06 0.00 0.00 0.00 0.00 44.72 46.57 3hwx s GLY 417 CO 0.75 1.99 1.09 0.29 0.00 0.00 0.00 173.10 177.21 3hwx n ILE 418 N 1.71 0.40 -0.06 0.90 -5.35 -1.26 -4.38 119.36 111.32 3hwx n ILE 418 Ca 0.03 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.09 3hwx n ILE 418 Cb 0.42 0.01 -0.15 0.00 -1.74 0.00 0.00 39.64 38.19 3hwx n ILE 418 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3hwx n ASP 419 N 0.13 0.67 -1.18 7.28 5.75 -1.26 -4.53 116.55 123.40 3hwx n ASP 419 Ca 0.07 0.19 0.08 0.00 -0.01 0.00 0.00 54.79 55.12 3hwx n ASP 419 Cb 0.26 0.30 0.29 0.00 -1.03 0.00 0.00 41.12 40.94 3hwx n ASP 419 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwx n GLY 420 N 1.71 3.46 0.08 6.12 0.00 -1.26 -4.37 105.19 110.93 3hwx n GLY 420 Ca -0.27 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 3hwx n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hwx h LEU 421 N 2.65 0.13 -0.60 0.99 3.38 -1.84 -0.14 115.31 119.88 3hwx h LEU 421 Ca 0.00 -0.61 0.10 0.00 0.09 0.00 0.00 57.88 57.46 3hwx h LEU 421 Cb 1.47 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 3hwx h LEU 421 CO 0.25 0.72 0.18 -0.07 0.09 0.00 0.00 178.44 179.62 3hwx h LEU 422 N -0.44 0.12 -0.28 1.67 3.38 -1.85 -0.91 115.31 116.99 3hwx h LEU 422 Ca -0.00 0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3hwx h LEU 422 Cb 0.71 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3hwx h LEU 422 CO 0.02 0.07 -0.87 0.77 0.09 0.00 0.00 178.44 178.52 3hwx h SER 423 N 0.33 0.10 -0.34 -0.43 4.64 -1.81 -2.64 113.55 113.39 3hwx h SER 423 Ca 0.31 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 3hwx h SER 423 Cb 0.43 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3hwx h SER 423 CO -0.35 0.92 0.03 0.74 -0.87 0.00 0.00 176.83 177.30 3hwx h THR 424 N 0.04 1.25 -0.94 2.95 2.02 -0.91 -2.76 112.91 114.56 3hwx h THR 424 Ca -0.02 -0.90 0.13 0.00 0.77 0.00 0.00 66.41 66.38 3hwx h THR 424 Cb 1.52 1.16 -0.09 0.00 -1.74 0.00 0.00 68.15 69.01 3hwx h THR 424 CO 0.12 0.30 0.56 0.00 0.37 0.00 0.00 175.52 176.87 3hwx h ALA 425 N 0.88 1.41 -0.07 6.16 0.00 -1.06 -1.08 119.26 125.51 3hwx h ALA 425 Ca 0.10 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hwx h ALA 425 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hwx h ALA 425 CO 0.01 0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 3hwx h ALA 426 N 1.53 -0.00 0.00 0.00 0.00 -1.21 -0.65 119.26 118.93 3hwx h ALA 426 Ca 0.48 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 3hwx h ALA 426 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hwx h ALA 426 CO -0.29 -0.53 -0.34 0.78 0.00 0.00 0.00 179.25 178.87 3hwx h GLY 427 N -0.07 0.00 0.74 0.00 0.00 -1.05 0.13 103.07 102.82 3hwx h GLY 427 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3hwx h GLY 427 CO -0.11 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.32 3hwx h VAL 428 N 0.00 1.11 -0.97 4.60 2.07 -1.16 -1.60 116.25 120.29 3hwx h VAL 428 Ca -0.00 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3hwx h VAL 428 Cb 1.03 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3hwx h VAL 428 CO 0.04 0.15 0.63 -0.61 0.02 0.00 0.00 177.57 177.80 3hwx h GLN 429 N -0.34 1.29 -0.07 1.57 -0.00 0.76 -2.73 115.11 115.59 3hwx h GLN 429 Ca -0.01 -0.09 -0.22 0.00 -0.00 0.00 0.00 58.65 58.34 3hwx h GLN 429 Cb 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 27.48 27.51 3hwx h GLN 429 CO 0.01 0.87 -0.81 0.00 0.00 0.00 0.00 178.83 178.91 3hwx h ARG 430 N 1.33 0.67 -0.86 1.69 3.08 -0.92 -2.06 114.38 117.32 3hwx h ARG 430 Ca 0.35 -0.63 0.02 0.00 0.07 0.00 0.00 59.98 59.80 3hwx h ARG 430 Cb -0.13 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3hwx h ARG 430 CO -0.07 1.23 0.56 0.00 -1.07 0.00 0.00 179.97 180.62 3hwx h ALA 431 N 0.45 1.12 0.00 0.04 0.00 -1.00 -3.09 119.26 116.78 3hwx h ALA 431 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hwx h ALA 431 Cb 1.46 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hwx h ALA 431 CO 0.16 0.43 -1.42 -1.13 0.00 0.00 0.00 179.25 177.30 3hwx n SER 432 N -4.52 0.58 0.00 0.00 3.41 -1.15 -4.82 113.62 107.11 3hwx n SER 432 Ca 0.10 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 3hwx n SER 432 Cb 0.06 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 3hwx n SER 432 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hwx n GLY 433 N 1.40 0.60 3.88 5.00 0.00 -0.77 -5.00 105.19 110.29 3hwx n GLY 433 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3hwx n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwx s LYS 434 N -0.21 3.34 0.34 1.61 1.02 -1.25 -4.57 119.74 120.02 3hwx s LYS 434 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 3hwx s LYS 434 Cb 0.00 -3.02 -0.11 0.00 -0.52 0.00 0.00 37.83 34.18 3hwx s LYS 434 CO 0.00 0.65 1.50 -0.35 -0.92 0.00 0.00 175.35 176.23 3hwx n PRO 435 N 0.81 2.61 -4.80 -1.68 -0.04 -1.26 -4.76 135.00 125.87 3hwx n PRO 435 Ca -0.10 0.92 -0.25 0.00 -0.04 0.00 0.00 63.50 64.03 3hwx n PRO 435 Cb 0.52 -2.65 -0.16 0.00 -0.04 0.00 0.00 33.50 31.17 3hwx n PRO 435 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hwx s THR 436 N -0.74 1.37 -0.19 0.52 2.01 -0.69 -1.52 115.64 116.39 3hwx s THR 436 Ca 0.57 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 3hwx s THR 436 Cb -0.50 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 3hwx s THR 436 CO 0.59 0.39 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.66 3hwx s LEU 437 N -0.09 3.13 -0.09 4.42 2.96 -0.58 -0.83 118.68 127.59 3hwx s LEU 437 Ca -0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3hwx s LEU 437 Cb -0.10 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3hwx s LEU 437 CO 0.01 0.07 -0.24 0.00 -1.32 0.00 0.00 176.35 174.88 3hwx s ALA 438 N 0.95 2.12 -0.07 5.97 0.00 -0.20 -0.49 121.76 130.05 3hwx s ALA 438 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3hwx s ALA 438 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3hwx s ALA 438 CO 0.01 0.31 -0.20 0.42 0.00 0.00 0.00 175.76 176.30 3hwx s ILE 439 N 0.25 2.54 0.07 0.00 1.01 -1.04 0.04 121.20 124.08 3hwx s ILE 439 Ca -0.16 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 3hwx s ILE 439 Cb -0.17 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.35 3hwx s ILE 439 CO 0.08 0.57 0.36 -0.69 0.00 0.00 0.00 174.94 175.26 3hwx s VAL 440 N -0.27 0.07 0.85 2.92 1.01 -0.07 -0.91 120.40 124.01 3hwx s VAL 440 Ca 0.01 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 3hwx s VAL 440 Cb -0.13 -1.04 0.11 0.00 0.00 0.00 0.00 36.38 35.32 3hwx s VAL 440 CO 0.03 -0.34 1.18 -0.83 0.00 0.00 0.00 175.10 175.14 3hwx s GLY 441 N -2.31 1.60 0.13 4.51 0.00 -1.26 -0.10 107.32 109.89 3hwx s GLY 441 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 44.72 43.89 3hwx s GLY 441 CO -0.06 -0.14 1.52 1.29 0.00 0.00 0.00 173.10 175.71 3hwx h ASP 442 N -1.23 0.83 -0.00 1.64 2.03 -1.68 -2.25 116.42 115.74 3hwx h ASP 442 Ca -0.47 -0.38 -0.06 0.00 -0.73 0.00 0.00 57.03 55.39 3hwx h ASP 442 Cb 1.32 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.58 3hwx h ASP 442 CO 0.62 1.02 -0.16 -0.07 -1.03 0.00 0.00 179.24 179.62 3hwx h LEU 443 N 0.63 0.31 -0.94 0.15 3.38 -1.90 -1.40 115.31 115.55 3hwx h LEU 443 Ca 0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3hwx h LEU 443 Cb 0.68 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3hwx h LEU 443 CO 0.05 0.50 -0.52 0.28 0.09 0.00 0.00 178.44 178.85 3hwx h SER 444 N 0.30 0.00 0.90 -0.43 0.02 -1.74 -0.98 113.55 111.62 3hwx h SER 444 Ca 0.06 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 3hwx h SER 444 Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3hwx h SER 444 CO 0.03 0.52 -1.15 0.00 -1.14 0.00 0.00 176.83 175.09 3hwx h ALA 445 N 1.48 0.48 -0.25 3.77 0.00 -1.17 -3.20 119.26 120.38 3hwx h ALA 445 Ca -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 54.91 53.85 3hwx h ALA 445 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hwx h ALA 445 CO 0.07 1.28 0.00 -0.07 0.00 0.00 0.00 179.25 180.53 3hwx h LEU 446 N 0.00 0.44 -0.35 0.00 3.38 -1.14 -1.52 115.31 116.11 3hwx h LEU 446 Ca -0.08 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.63 3hwx h LEU 446 Cb 1.80 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.35 3hwx h LEU 446 CO 0.11 0.64 -0.53 0.22 0.09 0.00 0.00 178.44 178.97 3hwx h TYR 447 N 0.22 -1.60 -0.88 1.13 5.03 -1.22 -2.37 116.97 117.29 3hwx h TYR 447 Ca 0.07 0.08 -0.55 0.00 2.58 0.00 0.00 58.73 60.90 3hwx h TYR 447 Cb 0.41 0.74 -0.29 0.00 1.55 0.00 0.00 36.73 39.15 3hwx h TYR 447 CO 0.04 -0.50 0.46 -3.47 -1.32 0.00 0.00 178.16 173.37 3hwx n ASP 448 N -5.40 5.57 -0.13 -2.11 2.03 -1.21 -4.73 116.55 110.58 3hwx n ASP 448 Ca -0.03 -3.74 0.04 0.00 0.52 0.00 0.00 54.79 51.57 3hwx n ASP 448 Cb 0.35 -0.81 0.34 0.00 -0.72 0.00 0.00 41.12 40.28 3hwx n ASP 448 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3hwx h LEU 449 N 1.62 0.66 -0.25 -2.67 5.85 -0.71 -0.86 115.31 118.95 3hwx h LEU 449 Ca 0.53 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3hwx h LEU 449 Cb 1.57 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3hwx h LEU 449 CO 1.19 0.46 0.00 -0.46 -0.34 0.00 0.00 178.44 179.30 3hwx n ASN 450 N -4.46 0.18 0.13 1.25 0.23 -1.26 -1.23 115.26 110.10 3hwx n ASN 450 Ca 0.07 0.55 0.11 0.00 -0.53 0.00 0.00 54.58 54.79 3hwx n ASN 450 Cb 0.10 -0.59 0.51 0.00 -2.08 0.00 0.00 39.78 37.72 3hwx n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwx n ALA 451 N -1.58 1.45 0.25 -2.53 0.00 -0.33 -2.20 120.51 115.58 3hwx n ALA 451 Ca 0.02 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3hwx n ALA 451 Cb 0.14 -1.35 0.69 0.00 0.00 0.00 0.00 19.45 18.93 3hwx n ALA 451 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hwx h LEU 452 N 0.00 0.00 0.14 0.00 3.38 -1.34 -2.05 115.31 115.44 3hwx h LEU 452 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hwx h LEU 452 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hwx h LEU 452 CO 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.46 3hwx h ALA 453 N 1.50 -0.19 -1.00 1.53 0.00 -1.69 -3.22 119.26 116.19 3hwx h ALA 453 Ca 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 453 Cb 0.44 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 3hwx h ALA 453 CO 0.00 -0.32 0.62 -0.07 0.00 0.00 0.00 179.25 179.48 3hwx h LEU 454 N -0.77 0.85 0.00 0.00 3.38 -1.60 -1.72 115.31 115.45 3hwx h LEU 454 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hwx h LEU 454 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hwx h LEU 454 CO 0.03 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.12 3hwx n LEU 455 N -4.70 0.00 0.04 1.67 4.77 -0.97 -0.58 117.00 117.23 3hwx n LEU 455 Ca 0.21 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3hwx n LEU 455 Cb 0.47 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.05 3hwx n LEU 455 CO 0.24 0.00 0.86 0.54 -1.33 0.00 0.00 177.39 177.70 3hwx n ARG 456 N -0.87 0.10 -3.72 3.23 1.74 -0.65 -3.88 116.66 112.61 3hwx n ARG 456 Ca 0.07 0.08 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 3hwx n ARG 456 Cb 0.03 -1.61 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 3hwx n ARG 456 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hwx n GLN 457 N -1.79 1.35 -4.36 5.56 6.02 0.25 -4.97 117.38 119.44 3hwx n GLN 457 Ca 0.06 -4.08 -0.25 0.00 -0.01 0.00 0.00 57.00 52.72 3hwx n GLN 457 Cb 0.38 -2.09 -0.09 0.00 1.02 0.00 0.00 30.24 29.45 3hwx n GLN 457 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hwx s VAL 458 N -1.04 2.90 -1.86 5.09 -7.23 -1.26 -4.98 120.40 112.01 3hwx s VAL 458 Ca 0.28 -1.99 0.17 0.00 -1.81 0.00 0.00 61.98 58.63 3hwx s VAL 458 Cb -0.01 -2.48 0.27 0.00 0.56 0.00 0.00 36.38 34.72 3hwx s VAL 458 CO -0.17 -0.25 1.18 -1.54 -0.31 0.00 0.00 175.10 174.00 3hwx n SER 459 N -0.32 2.82 -3.53 4.85 3.41 -1.26 -4.78 113.62 114.81 3hwx n SER 459 Ca -0.08 -1.83 -0.09 0.00 -0.26 0.00 0.00 58.87 56.61 3hwx n SER 459 Cb 0.58 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3hwx n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx s ALA 460 N -1.26 -1.88 0.31 7.33 0.00 -1.26 -4.91 121.76 120.10 3hwx s ALA 460 Ca 0.26 1.26 -0.27 0.00 0.00 0.00 0.00 51.96 53.21 3hwx s ALA 460 Cb 0.16 -0.02 -0.14 0.00 0.00 0.00 0.00 23.12 23.13 3hwx s ALA 460 CO 0.23 -0.54 0.94 -0.35 0.00 0.00 0.00 175.76 176.04 3hwx n PRO 461 N 0.13 1.21 -4.18 0.00 -0.04 -1.25 -4.43 135.00 126.44 3hwx n PRO 461 Ca -0.09 0.43 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 3hwx n PRO 461 Cb 0.60 -1.79 -0.17 0.00 -0.04 0.00 0.00 33.50 32.10 3hwx n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hwx s LEU 462 N 0.58 1.29 -0.24 1.53 0.20 -0.09 -1.71 118.68 120.24 3hwx s LEU 462 Ca 0.60 -0.19 -0.08 0.00 0.69 0.00 0.00 54.13 55.15 3hwx s LEU 462 Cb -0.69 -0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.44 3hwx s LEU 462 CO 0.59 -0.06 0.09 -0.69 -0.29 0.00 0.00 176.35 175.99 3hwx s VAL 463 N 1.10 4.55 -0.40 1.68 1.01 -0.01 -1.58 120.40 126.75 3hwx s VAL 463 Ca -0.08 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3hwx s VAL 463 Cb -0.14 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3hwx s VAL 463 CO -0.01 0.35 0.27 -0.22 0.00 0.00 0.00 175.10 175.49 3hwx s LEU 464 N 1.41 4.96 -0.29 3.92 2.96 -0.47 -1.03 118.68 130.14 3hwx s LEU 464 Ca 0.06 -0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 52.90 3hwx s LEU 464 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 3hwx s LEU 464 CO 0.04 -0.42 0.40 -0.63 -1.32 0.00 0.00 176.35 174.42 3hwx s ILE 465 N 1.64 5.14 -0.39 6.68 1.01 0.11 0.02 121.20 135.41 3hwx s ILE 465 Ca 0.04 0.45 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 3hwx s ILE 465 Cb -0.19 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.56 3hwx s ILE 465 CO 0.09 0.05 0.23 -0.69 0.00 0.00 0.00 174.94 174.62 3hwx s VAL 466 N 2.12 4.54 -0.33 2.92 1.01 0.01 -0.89 120.40 129.78 3hwx s VAL 466 Ca 0.15 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3hwx s VAL 466 Cb -0.16 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3hwx s VAL 466 CO 0.11 -0.33 1.17 -0.69 0.00 0.00 0.00 175.10 175.35 3hwx s VAL 467 N 1.53 4.34 -0.49 2.92 1.01 0.85 -1.69 120.40 128.87 3hwx s VAL 467 Ca 0.02 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 3hwx s VAL 467 Cb -0.20 -4.34 0.13 0.00 0.00 0.00 0.00 36.38 31.96 3hwx s VAL 467 CO 0.06 -0.54 0.32 0.21 0.00 0.00 0.00 175.10 175.15 3hwx s ASN 468 N 2.16 5.46 -0.21 3.32 3.84 0.34 -1.91 114.94 127.93 3hwx s ASN 468 Ca 0.50 -2.20 0.14 0.00 0.21 0.00 0.00 52.86 51.51 3hwx s ASN 468 Cb -0.13 -1.91 0.49 0.00 -0.55 0.00 0.00 41.25 39.15 3hwx s ASN 468 CO 0.20 -0.56 1.40 -0.46 -2.79 0.00 0.00 177.10 174.90 3hwx n ASN 469 N 4.43 3.23 -3.27 -4.21 0.23 -1.26 -1.47 115.26 112.94 3hwx n ASN 469 Ca -0.01 -3.28 -0.07 0.00 -0.53 0.00 0.00 54.58 50.68 3hwx n ASN 469 Cb 0.41 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 3hwx n ASN 469 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hwx n ASN 470 N -0.83 -6.95 0.00 0.53 5.15 -1.26 -4.14 115.26 107.76 3hwx n ASN 470 Ca 0.25 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 3hwx n ASN 470 Cb 0.91 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.87 3hwx n ASN 470 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwx n GLY 471 N -1.73 1.85 3.51 8.20 0.00 -1.26 -4.28 105.19 111.48 3hwx n GLY 471 Ca -0.09 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 3hwx n GLY 471 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hwx s GLY 472 N 0.00 1.66 0.27 -0.02 0.00 0.46 -4.71 107.32 104.97 3hwx s GLY 472 Ca 0.00 -2.62 0.25 0.00 0.00 0.00 0.00 44.72 42.36 3hwx s GLY 472 CO 0.00 2.38 1.75 1.46 0.00 0.00 0.00 173.10 178.70 3hwx h GLN 473 N 8.97 0.00 -0.90 2.90 1.08 -1.89 -2.54 115.11 122.74 3hwx h GLN 473 Ca 0.22 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.68 3hwx h GLN 473 Cb 0.99 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 3hwx h GLN 473 CO 1.29 0.00 0.69 0.97 -0.95 0.00 0.00 178.83 180.84 3hwx h ILE 474 N 0.00 0.46 0.00 2.54 2.10 -1.95 0.95 117.51 121.61 3hwx h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hwx h ILE 474 Cb 0.61 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 3hwx h ILE 474 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3hwx n PHE 475 N -4.10 0.00 0.85 2.19 3.72 -0.96 -0.45 117.46 118.71 3hwx n PHE 475 Ca 0.19 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.68 3hwx n PHE 475 Cb 1.01 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.43 3hwx n PHE 475 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hwx n SER 476 N -0.92 0.88 -0.01 4.37 7.64 0.33 -4.40 113.62 121.51 3hwx n SER 476 Ca 0.19 -0.90 -0.21 0.00 1.01 0.00 0.00 58.87 58.96 3hwx n SER 476 Cb 0.08 1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 64.21 3hwx n SER 476 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hwx h LEU 477 N 0.00 0.32-10.19 -3.43 5.85 -0.46 -3.47 115.31 103.93 3hwx h LEU 477 Ca 0.00 -0.82 -0.51 0.00 0.84 0.00 0.00 57.88 57.39 3hwx h LEU 477 Cb 0.48 -0.10 0.10 0.00 0.37 0.00 0.00 40.66 41.51 3hwx h LEU 477 CO 0.00 1.65 0.38 -0.76 -0.34 0.00 0.00 178.44 179.37 3hwx s LEU 478 N -7.49 3.41 -0.61 2.25 1.43 0.08 -4.92 118.68 112.83 3hwx s LEU 478 Ca -0.22 2.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.84 3hwx s LEU 478 Cb 0.05 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 3hwx s LEU 478 CO 0.73 -1.62 3.03 -0.81 0.23 0.00 0.00 176.35 177.91 3hwx n PRO 479 N -2.35 2.82 -2.42 1.29 -0.04 -1.26 -4.85 135.00 128.18 3hwx n PRO 479 Ca 0.11 -2.05 -0.41 0.00 -0.04 0.00 0.00 63.50 61.11 3hwx n PRO 479 Cb 0.52 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 3hwx n PRO 479 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hwx s THR 480 N -0.32 3.60 -0.31 0.52 -4.23 -1.26 -4.87 115.64 108.77 3hwx s THR 480 Ca 0.63 1.41 -0.40 0.00 -1.18 0.00 0.00 61.69 62.14 3hwx s THR 480 Cb 0.30 -3.90 -0.16 0.00 1.34 0.00 0.00 72.50 70.08 3hwx s THR 480 CO -0.10 0.26 1.79 -0.81 -0.54 0.00 0.00 174.62 175.21 3hwx n PRO 481 N 2.14 1.01 -0.01 3.99 -0.04 -1.26 -4.78 135.00 136.05 3hwx n PRO 481 Ca 0.03 0.36 0.03 0.00 -0.04 0.00 0.00 63.50 63.88 3hwx n PRO 481 Cb 0.45 -2.06 0.39 0.00 -0.04 0.00 0.00 33.50 32.24 3hwx n PRO 481 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3hwx h GLN 482 N 7.55 0.56 -0.22 0.54 4.20 -1.99 -2.75 115.11 122.99 3hwx h GLN 482 Ca -0.43 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 3hwx h GLN 482 Cb 1.33 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 3hwx h GLN 482 CO 0.97 0.40 -0.16 1.03 -0.67 0.00 0.00 178.83 180.41 3hwx h SER 483 N 0.57 0.52 0.55 1.46 0.87 -2.03 -3.14 113.55 112.35 3hwx h SER 483 Ca 0.15 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3hwx h SER 483 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3hwx h SER 483 CO -0.03 0.85 0.00 -0.62 -0.53 0.00 0.00 176.83 176.51 3hwx n GLU 484 N -4.47 0.36 0.07 2.24 4.71 -1.11 -4.61 120.64 117.83 3hwx n GLU 484 Ca -0.05 0.03 -0.12 0.00 -0.01 0.00 0.00 57.16 57.01 3hwx n GLU 484 Cb 0.37 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.28 3hwx n GLU 484 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3hwx h ARG 485 N 0.00 0.36 0.12 3.49 0.11 -1.44 -1.60 114.38 115.42 3hwx h ARG 485 Ca 0.00 -0.37 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 3hwx h ARG 485 Cb 0.28 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3hwx h ARG 485 CO 0.00 1.04 -0.06 1.49 0.10 0.00 0.00 179.97 182.55 3hwx h GLU 486 N 0.21 -0.15 -0.14 0.08 4.81 -1.81 0.52 114.58 118.09 3hwx h GLU 486 Ca -0.06 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3hwx h GLU 486 Cb 1.50 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.92 3hwx h GLU 486 CO 0.15 0.11 -0.70 -0.09 -0.73 0.00 0.00 179.01 177.74 3hwx h ARG 487 N -0.41 0.62 -0.01 1.92 2.43 -1.87 -1.05 114.38 116.02 3hwx h ARG 487 Ca -0.02 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hwx h ARG 487 Cb 0.33 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hwx h ARG 487 CO 0.03 1.10 -0.00 1.19 -1.51 0.00 0.00 179.97 180.77 3hwx n PHE 488 N -3.91 0.00 0.03 2.20 3.72 -0.61 -4.51 117.46 114.39 3hwx n PHE 488 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3hwx n PHE 488 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3hwx n PHE 488 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hwx n TYR 489 N 0.26 -0.15 -0.10 1.38 4.02 -0.84 -4.90 117.16 116.83 3hwx n TYR 489 Ca 0.03 0.03 -0.11 0.00 -0.01 0.00 0.00 57.90 57.84 3hwx n TYR 489 Cb 0.12 0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hwx h LEU 490 N 0.00 0.49 -3.52 7.72 3.38 -0.03 -3.43 115.31 119.92 3hwx h LEU 490 Ca 0.00 -0.27 -0.45 0.00 0.09 0.00 0.00 57.88 57.24 3hwx h LEU 490 Cb 0.00 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hwx h LEU 490 CO 0.00 0.64 -0.92 0.23 0.09 0.00 0.00 178.44 178.48 3hwx n MET 491 N -4.61 -1.06 -2.11 1.13 2.81 -0.40 -0.40 117.12 112.47 3hwx n MET 491 Ca -0.02 0.56 -0.41 0.00 -1.81 0.00 0.00 57.70 56.02 3hwx n MET 491 Cb 0.23 -3.20 -0.02 0.00 -0.71 0.00 0.00 33.22 29.52 3hwx n MET 491 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3hwx s PRO 492 N -5.72 4.35 0.00 0.03 0.04 -1.26 -4.45 135.00 127.98 3hwx s PRO 492 Ca 0.27 2.22 0.11 0.00 0.04 0.00 0.00 61.00 63.63 3hwx s PRO 492 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3hwx s PRO 492 CO 0.89 -0.22 0.68 1.04 0.04 0.00 0.00 177.00 179.43 3hwx n GLN 493 N 1.14 1.93 -3.45 4.56 1.13 -1.26 -4.92 117.38 116.51 3hwx n GLN 493 Ca 0.01 -0.67 -0.14 0.00 -1.94 0.00 0.00 57.00 54.27 3hwx n GLN 493 Cb 0.42 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.65 3hwx n GLN 493 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hwx n ASN 494 N -0.18 -6.21 -4.05 1.08 3.02 -1.26 -4.96 115.26 102.70 3hwx n ASN 494 Ca 0.05 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 53.98 3hwx n ASN 494 Cb 0.23 -3.32 -0.08 0.00 -0.61 0.00 0.00 39.78 36.00 3hwx n ASN 494 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hwx s VAL 495 N -2.94 0.08 0.40 2.41 0.11 -1.26 -5.18 120.40 114.03 3hwx s VAL 495 Ca 0.02 -1.65 0.04 0.00 -2.93 0.00 0.00 61.98 57.47 3hwx s VAL 495 Cb -0.00 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.89 3hwx s VAL 495 CO 0.83 -0.38 0.16 -1.00 -3.33 0.00 0.00 175.10 171.38 3hwx s HIS 496 N -4.01 1.77 -0.01 1.54 3.76 -1.26 -5.02 115.29 112.06 3hwx s HIS 496 Ca 0.20 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 3hwx s HIS 496 Cb 0.05 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.67 3hwx s HIS 496 CO 0.01 -0.42 0.87 1.19 -0.85 0.00 0.00 174.74 175.54 3hwx n PHE 497 N -0.87 0.00 -0.15 1.40 3.01 -1.26 -4.76 117.46 114.83 3hwx n PHE 497 Ca -0.04 -0.37 -0.09 0.00 1.01 0.00 0.00 57.45 57.97 3hwx n PHE 497 Cb 0.64 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 3hwx n PHE 497 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3hwx h GLU 498 N 0.02 0.66 -0.15 -1.08 4.81 -1.98 -1.18 114.58 115.68 3hwx h GLU 498 Ca 0.00 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.96 3hwx h GLU 498 Cb 0.37 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hwx h GLU 498 CO 0.00 0.60 -0.49 0.45 -0.73 0.00 0.00 179.01 178.84 3hwx h HIS 499 N 0.58 0.79 -0.89 0.92 3.86 -2.00 -2.42 115.15 115.99 3hwx h HIS 499 Ca 0.15 -0.32 0.22 0.00 -1.16 0.00 0.00 60.37 59.26 3hwx h HIS 499 Cb 0.18 -0.13 -0.13 0.00 1.06 0.00 0.00 27.41 28.39 3hwx h HIS 499 CO 0.00 1.10 0.37 0.00 0.86 0.00 0.00 177.93 180.26 3hwx h ALA 500 N 0.54 1.41 -0.31 2.45 0.00 -1.85 -0.97 119.26 120.54 3hwx h ALA 500 Ca -0.02 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3hwx h ALA 500 Cb 1.11 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hwx h ALA 500 CO 0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 179.25 178.82 3hwx h ALA 501 N 1.72 0.44 -0.49 0.00 0.00 -1.12 -3.25 119.26 116.55 3hwx h ALA 501 Ca 0.56 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hwx h ALA 501 Cb 1.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3hwx h ALA 501 CO -0.55 0.35 0.18 0.00 0.00 0.00 0.00 179.25 179.23 3hwx h ALA 502 N 0.76 0.60 -1.00 0.00 0.00 -0.72 -1.76 119.26 117.13 3hwx h ALA 502 Ca 0.07 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3hwx h ALA 502 Cb 0.69 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 3hwx h ALA 502 CO 0.05 -0.22 0.62 1.98 0.00 0.00 0.00 179.25 181.68 3hwx h MET 503 N 0.35 0.87 -0.65 0.00 -1.53 -1.26 0.47 114.93 113.18 3hwx h MET 503 Ca 0.24 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.44 3hwx h MET 503 Cb 0.25 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.10 3hwx h MET 503 CO -0.24 0.57 0.00 1.19 0.14 0.00 0.00 176.91 178.57 3hwx n PHE 504 N -4.68 1.54 -3.97 1.39 3.72 -0.93 -4.94 117.46 109.58 3hwx n PHE 504 Ca 0.21 -0.62 -0.31 0.00 -0.05 0.00 0.00 57.45 56.68 3hwx n PHE 504 Cb 0.45 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 3hwx n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hwx n GLU 505 N 1.10 -4.75 -3.55 -1.08 1.02 0.16 -4.84 120.64 108.71 3hwx n GLU 505 Ca 0.26 0.53 -0.37 0.00 -0.02 0.00 0.00 57.16 57.56 3hwx n GLU 505 Cb 0.92 -5.30 -0.06 0.00 -0.02 0.00 0.00 31.44 26.98 3hwx n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hwx s LEU 506 N -7.20 4.44 0.24 -4.62 1.43 -0.72 -5.03 118.68 107.22 3hwx s LEU 506 Ca 0.57 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 3hwx s LEU 506 Cb -0.30 -2.64 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 3hwx s LEU 506 CO 0.86 0.30 1.36 -0.54 0.23 0.00 0.00 176.35 178.55 3hwx s LYS 507 N -1.26 4.34 -0.03 1.70 1.02 -1.22 -4.42 119.74 119.86 3hwx s LYS 507 Ca 0.25 2.17 0.05 0.00 0.02 0.00 0.00 55.97 58.46 3hwx s LYS 507 Cb -0.16 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3hwx s LYS 507 CO 0.14 -0.31 -0.17 -0.47 -0.92 0.00 0.00 175.35 173.62 3hwx s TYR 508 N -0.11 1.62 -0.02 3.18 5.04 -1.26 -0.31 117.35 125.48 3hwx s TYR 508 Ca 0.57 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 3hwx s TYR 508 Cb -0.39 -1.07 -0.00 0.00 0.35 0.00 0.00 41.96 40.84 3hwx s TYR 508 CO 0.42 -0.11 -0.11 -1.01 -1.34 0.00 0.00 175.55 173.40 3hwx s HIS 509 N -0.12 1.00 -0.61 4.97 3.76 -0.35 -5.00 115.29 118.94 3hwx s HIS 509 Ca 0.00 -0.22 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 3hwx s HIS 509 Cb -0.10 -0.67 0.15 0.00 1.11 0.00 0.00 32.58 33.08 3hwx s HIS 509 CO 0.01 -0.05 0.40 0.50 -0.85 0.00 0.00 174.74 174.75 3hwx s ARG 510 N -0.08 2.39 0.33 1.40 3.52 -1.26 -0.56 118.95 124.69 3hwx s ARG 510 Ca 0.01 -2.71 -0.27 0.00 -0.13 0.00 0.00 55.73 52.64 3hwx s ARG 510 Cb -0.06 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.67 3hwx s ARG 510 CO 0.00 -1.17 1.02 -1.25 -0.81 0.00 0.00 175.30 173.09 3hwx s PRO 511 N -0.39 4.49 0.00 5.12 0.04 -1.24 -4.94 135.00 138.08 3hwx s PRO 511 Ca 0.19 1.52 0.14 0.00 0.04 0.00 0.00 61.00 62.89 3hwx s PRO 511 Cb -0.20 -2.86 0.12 0.00 0.04 0.00 0.00 34.50 31.60 3hwx s PRO 511 CO -0.04 0.15 0.95 1.04 0.04 0.00 0.00 177.00 179.15 3hwx n GLN 512 N 0.60 1.00 -3.45 4.56 6.02 -1.26 -4.73 117.38 120.12 3hwx n GLN 512 Ca 0.02 -1.36 -0.11 0.00 -0.01 0.00 0.00 57.00 55.54 3hwx n GLN 512 Cb 0.48 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.45 3hwx n GLN 512 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx s ASN 513 N -1.18 -0.52 0.20 1.08 2.20 -1.26 -5.03 114.94 110.43 3hwx s ASN 513 Ca 0.17 -0.02 0.09 0.00 -0.94 0.00 0.00 52.86 52.15 3hwx s ASN 513 Cb 0.12 0.56 0.66 0.00 -2.00 0.00 0.00 41.25 40.59 3hwx s ASN 513 CO 0.18 -0.92 0.89 0.79 -2.94 0.00 0.00 177.10 175.10 3hwx n TRP 514 N -0.36 0.57 0.19 1.54 7.02 -1.26 -0.70 117.44 124.43 3hwx n TRP 514 Ca -0.15 0.67 -0.14 0.00 -1.02 0.00 0.00 57.50 56.85 3hwx n TRP 514 Cb 0.64 -1.05 -0.08 0.00 -2.42 0.00 0.00 31.31 28.40 3hwx n TRP 514 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3hwx h GLN 515 N 0.00 -0.42 0.00 -0.99 4.20 -2.00 -2.32 115.11 113.58 3hwx h GLN 515 Ca 0.44 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 59.11 3hwx h GLN 515 Cb 1.10 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 3hwx h GLN 515 CO -0.46 -0.20 -0.33 0.93 -0.67 0.00 0.00 178.83 178.10 3hwx h GLU 516 N -0.57 0.00 -0.08 1.46 5.08 -1.32 -2.18 114.58 116.97 3hwx h GLU 516 Ca -0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3hwx h GLU 516 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hwx h GLU 516 CO 0.07 0.33 -0.63 1.25 -1.00 0.00 0.00 179.01 179.03 3hwx h LEU 517 N 0.00 0.35 -0.85 1.33 5.85 -1.32 -1.60 115.31 119.07 3hwx h LEU 517 Ca -0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3hwx h LEU 517 Cb 0.61 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3hwx h LEU 517 CO 0.04 0.89 0.30 -0.33 -0.34 0.00 0.00 178.44 179.00 3hwx h GLU 518 N 0.22 1.14 -0.37 1.25 5.08 -1.06 -2.17 114.58 118.68 3hwx h GLU 518 Ca -0.01 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 3hwx h GLU 518 Cb 1.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3hwx h GLU 518 CO 0.10 0.93 -0.34 1.15 -1.00 0.00 0.00 179.01 179.85 3hwx h THR 519 N 1.11 1.28 -0.54 1.13 2.02 -1.26 -1.39 112.91 115.27 3hwx h THR 519 Ca 0.25 -1.51 0.09 0.00 0.77 0.00 0.00 66.41 66.02 3hwx h THR 519 Cb 0.22 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 3hwx h THR 519 CO -0.02 0.50 0.13 0.00 0.37 0.00 0.00 175.52 176.50 3hwx h ALA 520 N 0.90 0.63 -0.12 6.16 0.00 -1.12 0.99 119.26 126.70 3hwx h ALA 520 Ca 0.07 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hwx h ALA 520 Cb 0.91 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hwx h ALA 520 CO 0.08 -0.29 -0.18 0.74 0.00 0.00 0.00 179.25 179.61 3hwx h PHE 521 N 0.27 0.41 -0.17 0.00 0.04 -1.25 0.25 116.94 116.50 3hwx h PHE 521 Ca 0.27 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.95 3hwx h PHE 521 Cb 0.37 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3hwx h PHE 521 CO -0.22 0.78 0.13 0.00 -0.60 0.00 0.00 178.31 178.41 3hwx h ALA 522 N 0.55 2.08 0.17 2.45 0.00 -0.83 -0.55 119.26 123.14 3hwx h ALA 522 Ca 0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3hwx h ALA 522 Cb 0.74 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hwx h ALA 522 CO 0.04 -0.22 -1.16 0.22 0.00 0.00 0.00 179.25 178.14 3hwx h ASP 523 N 0.00 0.57 -0.66 0.00 3.58 -0.43 -3.39 116.42 116.09 3hwx h ASP 523 Ca 0.08 -0.93 0.11 0.00 0.42 0.00 0.00 57.03 56.72 3hwx h ASP 523 Cb 0.34 -0.19 -0.12 0.00 1.72 0.00 0.00 39.33 41.08 3hwx h ASP 523 CO -0.00 1.55 -0.33 0.00 -2.88 0.00 0.00 179.24 177.57 3hwx h ALA 524 N 0.08 0.02 0.00 -0.78 0.00 0.11 -2.58 119.26 116.11 3hwx h ALA 524 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hwx h ALA 524 Cb 1.84 0.80 0.00 0.00 0.00 0.00 0.00 17.79 20.43 3hwx h ALA 524 CO 0.17 -0.65 0.00 0.91 0.00 0.00 0.00 179.25 179.68 3hwx n TRP 525 N -5.44 0.00 0.42 0.00 5.03 -0.73 -3.65 117.44 113.06 3hwx n TRP 525 Ca 0.05 0.00 0.13 0.00 3.03 0.00 0.00 57.50 60.72 3hwx n TRP 525 Cb 0.36 -0.08 0.48 0.00 -1.03 0.00 0.00 31.31 31.04 3hwx n TRP 525 CO 0.00 0.00 0.00 0.07 -0.03 0.00 0.00 177.69 177.73 3hwx h ARG 526 N 0.00 0.00 -3.68 -0.99 0.11 -1.66 -3.46 114.38 104.71 3hwx h ARG 526 Ca 0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 3hwx h ARG 526 Cb 0.06 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 30.92 3hwx h ARG 526 CO 0.00 0.00 -0.60 0.95 0.10 0.00 0.00 179.97 180.42 3hwx s THR 527 N -3.32 0.07 -0.35 0.08 -4.23 -1.24 -5.04 115.64 101.61 3hwx s THR 527 Ca 0.05 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3hwx s THR 527 Cb 0.10 -0.28 -0.15 0.00 1.34 0.00 0.00 72.50 73.50 3hwx s THR 527 CO 0.50 -0.31 2.62 -0.81 -0.54 0.00 0.00 174.62 176.08 3hwx n PRO 528 N 1.98 1.78 -4.58 3.99 -0.04 -1.26 -3.76 135.00 133.12 3hwx n PRO 528 Ca -0.20 -1.01 -0.26 0.00 -0.04 0.00 0.00 63.50 61.99 3hwx n PRO 528 Cb 0.57 -2.07 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 3hwx n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hwx s THR 529 N 2.01 1.36 0.18 0.52 -4.23 -1.26 -4.40 115.64 109.83 3hwx s THR 529 Ca 0.48 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 3hwx s THR 529 Cb 0.20 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 71.28 3hwx s THR 529 CO -0.01 0.00 0.68 -0.89 -0.54 0.00 0.00 174.62 173.85 3hwx s THR 530 N -3.01 4.63 -0.08 3.99 2.01 -1.25 -0.91 115.64 121.01 3hwx s THR 530 Ca 0.28 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.54 3hwx s THR 530 Cb 0.07 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.72 3hwx s THR 530 CO 0.14 0.29 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.33 3hwx s THR 531 N -1.42 1.34 -0.22 -0.82 2.01 -0.61 -3.43 115.64 112.48 3hwx s THR 531 Ca 0.39 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.56 3hwx s THR 531 Cb -0.17 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3hwx s THR 531 CO 0.21 0.40 0.80 -0.69 -0.69 0.00 0.00 174.62 174.65 3hwx s VAL 532 N 0.69 4.87 -0.14 3.82 1.01 0.57 -1.36 120.40 129.86 3hwx s VAL 532 Ca -0.14 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 3hwx s VAL 532 Cb -0.16 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3hwx s VAL 532 CO 0.04 -0.02 -0.02 -0.63 0.00 0.00 0.00 175.10 174.46 3hwx s ILE 533 N 2.55 4.09 -0.21 2.22 1.01 0.10 -1.21 121.20 129.76 3hwx s ILE 533 Ca 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 3hwx s ILE 533 Cb -0.16 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.55 3hwx s ILE 533 CO 0.09 0.52 -0.14 -0.70 0.00 0.00 0.00 174.94 174.71 3hwx s GLU 534 N 0.03 2.97 -0.38 2.79 2.12 0.28 -0.81 118.70 125.69 3hwx s GLU 534 Ca 0.01 -0.86 -0.14 0.00 0.36 0.00 0.00 54.97 54.34 3hwx s GLU 534 Cb -0.13 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.52 3hwx s GLU 534 CO 0.02 -0.27 0.27 -1.64 -0.54 0.00 0.00 175.26 173.10 3hwx s MET 535 N 1.31 3.09 -0.21 4.30 -1.94 -0.68 -3.62 119.30 121.56 3hwx s MET 535 Ca 0.03 -0.92 -0.18 0.00 -1.71 0.00 0.00 55.69 52.91 3hwx s MET 535 Cb -0.14 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.78 3hwx s MET 535 CO -0.09 -0.65 0.49 0.08 -0.01 0.00 0.00 175.02 174.84 3hwx s VAL 536 N 1.67 5.12 0.06 -6.03 1.01 -1.26 0.13 120.40 121.09 3hwx s VAL 536 Ca 0.05 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3hwx s VAL 536 Cb -0.19 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3hwx s VAL 536 CO 0.09 0.18 -0.05 0.68 0.00 0.00 0.00 175.10 176.00 3hwx s VAL 537 N 1.68 0.40 0.25 2.92 -7.23 -0.54 -4.95 120.40 112.93 3hwx s VAL 537 Ca 0.22 -1.61 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 3hwx s VAL 537 Cb -0.15 -1.25 -0.12 0.00 0.56 0.00 0.00 36.38 35.42 3hwx s VAL 537 CO 0.09 -0.80 1.66 0.20 -0.31 0.00 0.00 175.10 175.94 3hwx s ASN 538 N -2.55 6.37 0.29 4.85 0.01 -1.26 -4.27 114.94 118.38 3hwx s ASN 538 Ca 0.03 2.91 -0.02 0.00 -0.71 0.00 0.00 52.86 55.07 3hwx s ASN 538 Cb 0.02 -2.62 0.64 0.00 0.41 0.00 0.00 41.25 39.70 3hwx s ASN 538 CO -0.06 -0.94 1.58 -2.24 -1.51 0.00 0.00 177.10 173.93 3hwx h ASP 539 N 5.80 -0.59 -0.01 -1.22 2.03 -1.92 -3.00 116.42 117.51 3hwx h ASP 539 Ca -0.45 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 3hwx h ASP 539 Cb 1.21 0.51 0.00 0.00 -0.83 0.00 0.00 39.33 40.22 3hwx h ASP 539 CO 0.87 -0.33 -0.00 0.35 -1.03 0.00 0.00 179.24 179.10 3hwx n THR 540 N -5.51 0.00 -0.31 1.15 -2.24 -1.26 -4.64 114.28 101.46 3hwx n THR 540 Ca 0.20 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 3hwx n THR 540 Cb 0.66 1.20 0.29 0.00 -2.10 0.00 0.00 70.33 70.37 3hwx n THR 540 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwx h ASP 541 N 1.85 0.51 0.81 3.42 5.19 -1.92 -1.29 116.42 124.98 3hwx h ASP 541 Ca 0.00 0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 3hwx h ASP 541 Cb 0.39 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 3hwx h ASP 541 CO 0.00 0.13 -0.48 1.23 -3.12 0.00 0.00 179.24 177.00 3hwx h GLY 542 N 0.56 -1.32 0.86 2.75 0.00 -1.82 -2.29 103.07 101.81 3hwx h GLY 542 Ca 0.54 0.53 -0.10 0.00 0.00 0.00 0.00 47.33 48.31 3hwx h GLY 542 CO -0.44 -0.45 -0.24 0.00 0.00 0.00 0.00 176.54 175.41 3hwx h ALA 543 N -1.12 0.32 -0.09 3.60 0.00 -1.78 -1.54 119.26 118.66 3hwx h ALA 543 Ca -0.11 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.46 3hwx h ALA 543 Cb 0.96 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3hwx h ALA 543 CO 0.12 0.29 -0.42 0.37 0.00 0.00 0.00 179.25 179.60 3hwx h GLN 544 N 0.22 -0.50 -0.38 0.00 4.15 -1.35 -0.85 115.11 116.41 3hwx h GLN 544 Ca 0.03 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.54 3hwx h GLN 544 Cb 0.80 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.56 3hwx h GLN 544 CO 0.06 -0.34 0.08 1.15 -1.93 0.00 0.00 178.83 177.86 3hwx h THR 545 N -0.52 0.82 -0.78 2.39 2.02 -1.00 0.28 112.91 116.12 3hwx h THR 545 Ca 0.06 -0.07 0.15 0.00 0.77 0.00 0.00 66.41 67.32 3hwx h THR 545 Cb 0.64 0.59 -0.10 0.00 -1.74 0.00 0.00 68.15 67.54 3hwx h THR 545 CO -0.37 0.04 0.32 0.25 0.37 0.00 0.00 175.52 176.13 3hwx h LEU 546 N 0.21 0.31 -0.42 2.58 5.85 -1.10 -1.72 115.31 121.02 3hwx h LEU 546 Ca 0.18 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 3hwx h LEU 546 Cb 0.20 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3hwx h LEU 546 CO -0.23 0.10 0.25 1.56 -0.34 0.00 0.00 178.44 179.79 3hwx h GLN 547 N 0.46 0.57 -0.28 1.25 4.20 0.95 -0.91 115.11 121.35 3hwx h GLN 547 Ca 0.43 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 3hwx h GLN 547 Cb 0.67 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3hwx h GLN 547 CO -0.41 0.43 0.07 1.96 -0.67 0.00 0.00 178.83 180.20 3hwx h GLN 548 N 0.55 0.45 -0.16 1.46 4.20 -0.65 -1.54 115.11 119.42 3hwx h GLN 548 Ca 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3hwx h GLN 548 Cb 0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hwx h GLN 548 CO -0.03 0.54 0.06 -0.07 -0.67 0.00 0.00 178.83 178.66 3hwx h LEU 549 N 0.28 0.19 -0.65 1.46 3.38 -1.27 0.41 115.31 119.11 3hwx h LEU 549 Ca 0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3hwx h LEU 549 Cb 0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hwx h LEU 549 CO 0.00 0.18 0.05 -0.07 0.09 0.00 0.00 178.44 178.69 3hwx h LEU 550 N 0.22 1.07 0.03 1.67 3.38 -0.54 -1.43 115.31 119.72 3hwx h LEU 550 Ca 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hwx h LEU 550 Cb 0.05 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hwx h LEU 550 CO -0.01 1.09 -0.02 0.00 0.09 0.00 0.00 178.44 179.60 3hwx h ALA 551 N 1.02 -0.04 -0.93 1.53 0.00 -0.37 -2.50 119.26 117.96 3hwx h ALA 551 Ca 0.19 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3hwx h ALA 551 Cb 0.51 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 3hwx h ALA 551 CO 0.02 -0.16 -0.38 0.94 0.00 0.00 0.00 179.25 179.67 3hwx n GLN 552 N -4.78 -0.23 0.11 0.00 7.27 0.13 -1.69 117.38 118.19 3hwx n GLN 552 Ca -0.09 1.43 -0.01 0.00 0.07 0.00 0.00 57.00 58.40 3hwx n GLN 552 Cb 0.33 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 30.86 3hwx n GLN 552 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3hwx h VAL 553 N 0.00 1.25 0.00 1.69 2.07 -1.32 -1.58 116.25 118.37 3hwx h VAL 553 Ca 0.31 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3hwx h VAL 553 Cb 0.54 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3hwx h VAL 553 CO -0.92 0.69 0.00 -1.54 0.02 0.00 0.00 177.57 175.82 3hwx n SER 554 N -3.34 0.56 -0.08 0.57 3.41 -0.68 -3.91 113.62 110.15 3hwx n SER 554 Ca 0.01 0.74 -0.07 0.00 -0.26 0.00 0.00 58.87 59.28 3hwx n SER 554 Cb 0.79 -0.82 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 3hwx n SER 554 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hwx n HIS 555 N -2.23 0.00 1.64 7.33 -0.00 -0.60 -4.54 115.22 116.82 3hwx n HIS 555 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.84 3hwx n HIS 555 Cb 0.07 -0.79 0.78 0.00 -0.00 0.00 0.00 29.99 30.05 3hwx n HIS 555 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81