#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 2.08 0.13 7.83 2.88 -1.26 -4.85 113.62 120.43 3hwx n SER 2 Ca 0.00 0.50 0.02 0.00 -1.33 0.00 0.00 58.87 58.06 3hwx n SER 2 Cb 0.00 -1.23 0.37 0.00 -0.75 0.00 0.00 64.21 62.60 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 6.91 1.20 -0.47 2.46 2.07 -1.96 -2.12 116.25 124.34 3hwx h VAL 3 Ca -0.28 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3hwx h VAL 3 Cb 1.33 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3hwx h VAL 3 CO 1.02 0.28 0.28 0.77 0.02 0.00 0.00 177.57 179.94 3hwx h SER 4 N 0.18 0.55 -0.09 0.57 4.64 -1.89 -0.74 113.55 116.78 3hwx h SER 4 Ca 0.03 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3hwx h SER 4 Cb 0.46 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hwx h SER 4 CO 0.03 0.43 -0.52 0.00 -0.87 0.00 0.00 176.83 175.90 3hwx h ALA 5 N 1.67 0.64 -0.31 5.18 0.00 -1.64 -0.06 119.26 124.73 3hwx h ALA 5 Ca 0.17 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3hwx h ALA 5 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hwx h ALA 5 CO -0.03 0.68 -0.30 0.35 0.00 0.00 0.00 179.25 179.95 3hwx h PHE 6 N 0.52 0.91 -0.47 0.00 3.57 -1.22 -2.74 116.94 117.51 3hwx h PHE 6 Ca 0.02 -0.27 0.08 0.00 3.53 0.00 0.00 57.97 61.32 3hwx h PHE 6 Cb 1.08 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 3hwx h PHE 6 CO 0.05 1.03 0.10 -0.91 -2.23 0.00 0.00 178.31 176.35 3hwx h ASN 7 N 0.52 0.01 -0.53 0.41 2.35 -0.95 0.22 115.58 117.61 3hwx h ASN 7 Ca 0.05 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.97 3hwx h ASN 7 Cb 0.88 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 3hwx h ASN 7 CO 0.08 0.04 0.36 0.03 -1.65 0.00 0.00 177.43 176.28 3hwx h ARG 8 N 0.23 0.33 0.13 0.81 3.08 -0.89 -2.40 114.38 115.68 3hwx h ARG 8 Ca 0.23 -0.02 -0.36 0.00 0.07 0.00 0.00 59.98 59.90 3hwx h ARG 8 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3hwx h ARG 8 CO -0.30 0.22 -1.93 0.00 -1.07 0.00 0.00 179.97 176.89 3hwx h ARG 9 N 0.34 0.28 -0.76 0.04 2.47 -0.96 -2.71 114.38 113.09 3hwx h ARG 9 Ca 0.24 -0.49 0.17 0.00 -1.26 0.00 0.00 59.98 58.65 3hwx h ARG 9 Cb 0.51 0.18 -0.13 0.00 -1.65 0.00 0.00 29.97 28.88 3hwx h ARG 9 CO -0.06 1.23 0.05 2.35 0.56 0.00 0.00 179.97 184.11 3hwx h TRP 10 N 0.05 0.04 -0.84 3.04 2.91 -0.51 -0.52 115.95 120.12 3hwx h TRP 10 Ca -0.41 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 59.65 3hwx h TRP 10 Cb 2.03 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 30.74 3hwx h TRP 10 CO 0.08 -0.21 0.46 0.00 -1.03 0.00 0.00 178.44 177.75 3hwx h ALA 11 N 1.70 1.08 -0.90 2.65 0.00 -1.52 -3.07 119.26 119.19 3hwx h ALA 11 Ca 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hwx h ALA 11 Cb 0.76 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3hwx h ALA 11 CO -0.64 0.58 0.58 0.00 0.00 0.00 0.00 179.25 179.77 3hwx h ALA 12 N 1.25 1.14 -0.23 0.00 0.00 -0.79 0.15 119.26 120.79 3hwx h ALA 12 Ca 0.30 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3hwx h ALA 12 Cb 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3hwx h ALA 12 CO -0.05 0.57 -0.01 0.28 0.00 0.00 0.00 179.25 180.04 3hwx h VAL 13 N 1.23 0.83 -0.17 0.00 2.07 -1.30 0.22 116.25 119.12 3hwx h VAL 13 Ca 0.33 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.84 3hwx h VAL 13 Cb -0.11 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3hwx h VAL 13 CO -0.07 0.01 0.07 0.40 0.02 0.00 0.00 177.57 178.00 3hwx h ILE 14 N 0.06 0.97 -0.36 4.57 2.04 -1.16 -1.97 117.51 121.66 3hwx h ILE 14 Ca 0.11 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 3hwx h ILE 14 Cb 0.14 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3hwx h ILE 14 CO -0.19 0.03 -0.32 -0.07 0.00 0.00 0.00 178.15 177.60 3hwx h LEU 15 N 0.15 0.82 -0.15 1.44 3.38 -0.46 -3.18 115.31 117.33 3hwx h LEU 15 Ca 0.07 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3hwx h LEU 15 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hwx h LEU 15 CO -0.07 1.07 -0.17 -0.08 0.09 0.00 0.00 178.44 179.28 3hwx h GLU 16 N 0.66 0.37 -0.86 1.13 4.57 -0.86 -3.07 114.58 116.53 3hwx h GLU 16 Ca 0.07 -0.21 0.17 0.00 -1.18 0.00 0.00 59.36 58.22 3hwx h GLU 16 Cb 0.86 0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.30 3hwx h GLU 16 CO 0.08 0.77 -0.20 0.00 -1.18 0.00 0.00 179.01 178.47 3hwx h ALA 17 N 0.59 0.59 0.00 2.92 0.00 -1.37 0.44 119.26 122.42 3hwx h ALA 17 Ca 0.02 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3hwx h ALA 17 Cb 0.72 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hwx h ALA 17 CO 0.04 -0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 178.74 3hwx h LEU 18 N 0.00 0.00 -1.84 0.00 3.38 -1.52 0.97 115.31 116.31 3hwx h LEU 18 Ca 0.42 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.70 3hwx h LEU 18 Cb 0.64 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3hwx h LEU 18 CO -0.88 0.08 0.78 0.74 0.09 0.00 0.00 178.44 179.25 3hwx h THR 19 N 0.00 0.45 -0.15 0.22 2.02 -0.09 -2.62 112.91 112.74 3hwx h THR 19 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hwx h THR 19 Cb 0.16 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3hwx h THR 19 CO 0.01 0.02 0.00 0.54 0.37 0.00 0.00 175.52 176.46 3hwx n ARG 20 N -4.31 1.65 -0.45 6.66 3.00 0.34 -3.82 116.66 119.73 3hwx n ARG 20 Ca 0.25 -0.97 0.06 0.00 -0.01 0.00 0.00 57.85 57.17 3hwx n ARG 20 Cb 1.12 -1.38 0.11 0.00 0.00 0.00 0.00 32.46 32.31 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hwx n HIS 21 N 0.20 0.00 -0.81 -1.55 8.25 -0.99 -4.34 115.22 115.98 3hwx n HIS 21 Ca 0.16 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 3hwx n HIS 21 Cb 0.30 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.80 0.59 3.56 -1.41 0.00 -1.25 -4.65 105.19 101.23 3hwx n GLY 22 Ca 0.12 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 3.47 -0.17 1.61 1.01 -1.23 -4.33 120.40 118.77 3hwx s VAL 23 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 3hwx s VAL 23 Cb 0.00 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 3hwx s VAL 23 CO 0.00 -0.96 -0.30 0.54 0.00 0.00 0.00 175.10 174.38 3hwx n ARG 24 N 9.01 0.46 -2.16 2.72 3.00 -1.26 -4.61 116.66 123.82 3hwx n ARG 24 Ca 0.18 0.19 -0.42 0.00 -0.01 0.00 0.00 57.85 57.79 3hwx n ARG 24 Cb 0.51 -1.30 -0.03 0.00 0.00 0.00 0.00 32.46 31.64 3hwx n ARG 24 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3hwx s HIS 25 N -2.65 2.93 -0.07 -1.55 3.76 -1.26 -0.61 115.29 115.84 3hwx s HIS 25 Ca -0.27 0.80 0.03 0.00 -0.15 0.00 0.00 55.06 55.47 3hwx s HIS 25 Cb 0.07 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 30.05 3hwx s HIS 25 CO 0.38 -2.62 -0.18 -1.50 -0.85 0.00 0.00 174.74 169.97 3hwx s ILE 26 N 1.98 1.55 -0.17 0.60 2.07 0.13 -1.01 121.20 126.36 3hwx s ILE 26 Ca 0.65 -0.74 -0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3hwx s ILE 26 Cb -0.34 -1.36 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 3hwx s ILE 26 CO 0.29 0.45 -0.07 0.00 -1.91 0.00 0.00 174.94 173.69 3hwx s ILE 28 N 0.75 1.34 -0.03 0.00 1.01 0.42 -1.28 121.20 123.41 3hwx s ILE 28 Ca -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3hwx s ILE 28 Cb -0.15 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3hwx s ILE 28 CO 0.02 0.40 -0.01 0.00 0.00 0.00 0.00 174.94 175.35 3hwx s ALA 29 N 0.69 3.23 0.29 9.38 0.00 -0.64 -1.98 121.76 132.72 3hwx s ALA 29 Ca -0.14 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 3hwx s ALA 29 Cb -0.16 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 3hwx s ALA 29 CO 0.04 0.62 1.27 -1.25 0.00 0.00 0.00 175.76 176.44 3hwx s PRO 30 N -1.32 4.42 0.21 0.00 0.04 -1.26 -4.60 135.00 132.50 3hwx s PRO 30 Ca 0.17 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 63.08 3hwx s PRO 30 Cb -0.11 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.36 3hwx s PRO 30 CO 0.07 -0.13 0.91 0.20 0.04 0.00 0.00 177.00 178.10 3hwx s GLY 31 N -0.35 -0.07 -0.12 0.56 0.00 -1.26 -4.66 107.32 101.42 3hwx s GLY 31 Ca 0.50 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 45.10 3hwx s GLY 31 CO 0.47 0.37 -0.09 -1.26 0.00 0.00 0.00 173.10 172.58 3hwx n SER 32 N -0.71 2.95 0.00 1.64 2.88 -1.26 -4.35 113.62 114.77 3hwx n SER 32 Ca -0.05 -0.06 0.10 0.00 -1.33 0.00 0.00 58.87 57.53 3hwx n SER 32 Cb 0.60 -0.06 0.43 0.00 -0.75 0.00 0.00 64.21 64.43 3hwx n SER 32 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3hwx n ARG 33 N -2.80 0.01 -0.55 -1.46 3.00 -1.26 -2.48 116.66 111.12 3hwx n ARG 33 Ca -0.21 0.15 0.09 0.00 -0.00 0.00 0.00 57.85 57.87 3hwx n ARG 33 Cb 0.75 -1.50 0.32 0.00 0.00 0.00 0.00 32.46 32.03 3hwx n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hwx n SER 34 N -1.50 4.47 -0.07 6.15 3.41 -1.26 -4.57 113.62 120.24 3hwx n SER 34 Ca 0.05 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 56.05 3hwx n SER 34 Cb 0.24 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 3hwx n SER 34 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hwx h THR 35 N 3.47 1.16 0.07 6.66 2.02 -1.68 -1.24 112.91 123.37 3hwx h THR 35 Ca 0.00 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.72 3hwx h THR 35 Cb 1.39 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 3hwx h THR 35 CO 0.22 0.16 -0.39 -0.07 0.37 0.00 0.00 175.52 175.81 3hwx h LEU 36 N 0.25 -1.16 -0.18 2.58 -0.00 -1.85 -0.13 115.31 114.83 3hwx h LEU 36 Ca 0.08 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.09 3hwx h LEU 36 Cb 0.16 0.45 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 3hwx h LEU 36 CO -0.01 -0.45 0.08 -0.07 -0.00 0.00 0.00 178.44 177.98 3hwx h LEU 37 N -0.59 0.24 0.39 1.67 3.38 -1.89 -1.69 115.31 116.82 3hwx h LEU 37 Ca 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hwx h LEU 37 Cb 0.64 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hwx h LEU 37 CO -0.26 0.32 -0.19 0.74 0.09 0.00 0.00 178.44 179.14 3hwx h THR 38 N 0.14 0.62 -0.45 0.22 2.02 -0.97 -1.55 112.91 112.94 3hwx h THR 38 Ca 0.06 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.12 3hwx h THR 38 Cb 0.15 0.71 -0.09 0.00 -1.74 0.00 0.00 68.15 67.19 3hwx h THR 38 CO -0.01 0.04 -0.51 -0.07 0.37 0.00 0.00 175.52 175.34 3hwx h LEU 39 N -0.63 -1.71 -0.75 2.58 3.38 -1.02 0.47 115.31 117.63 3hwx h LEU 39 Ca -0.05 0.24 0.14 0.00 0.09 0.00 0.00 57.88 58.30 3hwx h LEU 39 Cb 0.46 0.72 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 3hwx h LEU 39 CO 0.09 -0.38 0.30 0.00 0.09 0.00 0.00 178.44 178.53 3hwx h ALA 40 N 0.18 1.06 0.44 1.53 0.00 -1.06 0.25 119.26 121.65 3hwx h ALA 40 Ca 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3hwx h ALA 40 Cb 0.59 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hwx h ALA 40 CO -0.61 -0.22 -0.21 0.00 0.00 0.00 0.00 179.25 178.21 3hwx h ALA 41 N 1.55 -0.59 -0.57 0.00 0.00 -0.15 -2.71 119.26 116.79 3hwx h ALA 41 Ca 0.41 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3hwx h ALA 41 Cb 0.63 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3hwx h ALA 41 CO -0.41 -0.83 0.38 0.00 0.00 0.00 0.00 179.25 178.39 3hwx h ALA 42 N -0.03 1.79 -0.00 0.00 0.00 0.11 0.20 119.26 121.33 3hwx h ALA 42 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 42 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hwx h ALA 42 CO 0.10 0.13 -0.01 0.39 0.00 0.00 0.00 179.25 179.86 3hwx n GLU 43 N -4.47 0.79 -3.92 0.00 1.02 0.75 -4.84 120.64 109.97 3hwx n GLU 43 Ca 0.07 -0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.82 3hwx n GLU 43 Cb 0.20 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.24 4.91 0.00 1.62 3.84 0.69 -4.96 114.94 118.80 3hwx s ASN 44 Ca 0.40 -0.22 0.21 0.00 0.21 0.00 0.00 52.86 53.46 3hwx s ASN 44 Cb 0.21 -1.86 0.57 0.00 -0.55 0.00 0.00 41.25 39.62 3hwx s ASN 44 CO 0.41 0.02 1.46 -1.54 -2.79 0.00 0.00 177.10 174.65 3hwx n SER 45 N 4.57 2.55 0.07 -4.21 3.41 -1.26 -3.20 113.62 115.56 3hwx n SER 45 Ca -0.17 -1.87 0.13 0.00 -0.26 0.00 0.00 58.87 56.70 3hwx n SER 45 Cb 0.51 -0.19 0.47 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.90 2.27 -2.82 7.33 0.00 -1.26 -4.94 120.51 122.00 3hwx n ALA 46 Ca 0.17 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 3hwx n ALA 46 Cb 0.46 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.08 3.43 -0.26 0.00 0.08 -1.20 -4.77 117.98 112.19 3hwx s PHE 47 Ca 0.11 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.41 3hwx s PHE 47 Cb 0.14 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 3hwx s PHE 47 CO 0.57 0.63 0.25 0.42 -0.10 0.00 0.00 175.22 176.99 3hwx s ILE 48 N -1.07 5.27 -0.18 0.64 1.01 0.22 -4.95 121.20 122.14 3hwx s ILE 48 Ca 0.18 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 3hwx s ILE 48 Cb -0.12 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3hwx s ILE 48 CO 0.08 0.24 0.36 -1.00 0.00 0.00 0.00 174.94 174.63 3hwx s HIS 49 N 1.65 3.41 -0.06 3.97 3.76 -1.26 0.21 115.29 126.97 3hwx s HIS 49 Ca 0.10 0.62 0.05 0.00 -0.15 0.00 0.00 55.06 55.69 3hwx s HIS 49 Cb -0.15 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 3hwx s HIS 49 CO 0.09 0.09 -0.22 -1.01 -0.85 0.00 0.00 174.74 172.84 3hwx s HIS 50 N 0.96 2.51 0.29 1.40 3.76 0.16 -4.95 115.29 119.42 3hwx s HIS 50 Ca 0.19 -0.60 0.11 0.00 -0.15 0.00 0.00 55.06 54.61 3hwx s HIS 50 Cb -0.14 -1.62 -0.05 0.00 1.11 0.00 0.00 32.58 31.87 3hwx s HIS 50 CO 0.07 -0.14 -0.16 0.95 -0.85 0.00 0.00 174.74 174.61 3hwx s THR 51 N -0.24 2.49 -0.17 1.30 -4.23 -1.26 0.16 115.64 113.68 3hwx s THR 51 Ca -0.01 -2.33 -0.35 0.00 -1.18 0.00 0.00 61.69 57.83 3hwx s THR 51 Cb -0.13 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.43 3hwx s THR 51 CO 0.03 -0.35 1.18 -2.28 -0.54 0.00 0.00 174.62 172.66 3hwx s HIS 52 N -2.52 -0.15 -0.13 3.99 5.04 -0.84 -4.88 115.29 115.81 3hwx s HIS 52 Ca 0.31 0.10 0.18 0.00 -1.54 0.00 0.00 55.06 54.10 3hwx s HIS 52 Cb -0.03 0.52 -0.23 0.00 0.04 0.00 0.00 32.58 32.87 3hwx s HIS 52 CO 0.16 -0.23 0.42 1.97 -2.34 0.00 0.00 174.74 174.72 3hwx n PHE 53 N -0.09 0.40 -3.32 3.88 1.16 -1.26 -4.27 117.46 113.97 3hwx n PHE 53 Ca -0.00 0.14 -0.41 0.00 -1.87 0.00 0.00 57.45 55.30 3hwx n PHE 53 Cb 0.58 -0.96 -0.09 0.00 -1.61 0.00 0.00 39.48 37.41 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 -5.48 6.26 0.26 5.98 -1.08 -1.26 -4.94 116.67 116.40 3hwx s ASP 54 Ca -0.07 -0.09 -0.03 0.00 -0.52 0.00 0.00 52.55 51.84 3hwx s ASP 54 Cb 0.08 -2.24 0.34 0.00 -1.46 0.00 0.00 42.92 39.64 3hwx s ASP 54 CO 0.84 -0.40 1.82 -0.33 0.52 0.00 0.00 175.17 177.61 3hwx h GLU 55 N 8.44 0.93 -0.47 4.34 3.07 -1.89 0.30 114.58 129.30 3hwx h GLU 55 Ca -0.29 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.36 58.26 3hwx h GLU 55 Cb 1.13 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3hwx h GLU 55 CO 0.73 0.81 -0.19 -0.09 -1.40 0.00 0.00 179.01 178.87 3hwx h ARG 56 N 0.91 0.97 -0.68 2.33 2.43 -1.89 -1.07 114.38 117.38 3hwx h ARG 56 Ca 0.20 -0.41 0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3hwx h ARG 56 Cb 0.27 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3hwx h ARG 56 CO -0.01 1.07 0.41 0.78 -1.51 0.00 0.00 179.97 180.72 3hwx h GLY 57 N 0.82 0.98 0.77 2.80 0.00 -1.79 -2.99 103.07 103.65 3hwx h GLY 57 Ca 0.11 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.18 3hwx h GLY 57 CO 0.06 0.24 0.41 -2.00 0.00 0.00 0.00 176.54 175.25 3hwx h LEU 58 N 0.79 0.64 -1.21 3.11 5.85 0.26 0.24 115.31 124.99 3hwx h LEU 58 Ca 0.28 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 3hwx h LEU 58 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hwx h LEU 58 CO -0.13 0.43 -0.05 1.23 -0.34 0.00 0.00 178.44 179.58 3hwx h GLY 59 N 0.77 0.53 2.00 3.75 0.00 -1.14 -0.53 103.07 108.45 3hwx h GLY 59 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3hwx h GLY 59 CO -0.15 0.30 0.00 1.42 0.00 0.00 0.00 176.54 178.12 3hwx n HIS 60 N -4.26 0.66 0.13 5.60 8.25 -0.62 -1.25 115.22 123.74 3hwx n HIS 60 Ca 0.01 0.21 -0.23 0.00 -0.26 0.00 0.00 57.72 57.45 3hwx n HIS 60 Cb 0.27 -0.84 -0.15 0.00 1.12 0.00 0.00 29.99 30.39 3hwx n HIS 60 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hwx h LEU 61 N 0.00 0.78 -0.41 2.41 5.85 0.60 -1.00 115.31 123.54 3hwx h LEU 61 Ca 0.00 -0.81 -0.16 0.00 0.84 0.00 0.00 57.88 57.76 3hwx h LEU 61 Cb 0.58 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hwx h LEU 61 CO 0.00 1.62 -0.37 0.00 -0.34 0.00 0.00 178.44 179.35 3hwx h ALA 62 N 0.27 0.59 -0.42 1.25 0.00 -1.25 -2.33 119.26 117.37 3hwx h ALA 62 Ca -0.22 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 3hwx h ALA 62 Cb 2.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3hwx h ALA 62 CO 0.26 0.68 0.15 1.25 0.00 0.00 0.00 179.25 181.59 3hwx h LEU 63 N 0.76 0.59 -0.19 0.00 5.85 -1.24 -0.32 115.31 120.75 3hwx h LEU 63 Ca 0.06 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3hwx h LEU 63 Cb 0.97 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3hwx h LEU 63 CO 0.09 0.61 -0.09 1.23 -0.34 0.00 0.00 178.44 179.94 3hwx h GLY 64 N 0.53 0.08 0.68 3.75 0.00 -1.18 -0.22 103.07 106.70 3hwx h GLY 64 Ca 0.14 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.64 3hwx h GLY 64 CO -0.01 -0.11 0.39 1.41 0.00 0.00 0.00 176.54 178.23 3hwx h LEU 65 N -0.07 0.59 0.00 3.11 3.38 -1.14 -2.42 115.31 118.76 3hwx h LEU 65 Ca 0.11 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 3hwx h LEU 65 Cb 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hwx h LEU 65 CO -0.24 0.38 -1.06 0.00 0.09 0.00 0.00 178.44 177.61 3hwx h ALA 66 N 1.36 0.39 -0.88 1.53 0.00 -0.75 -1.00 119.26 119.91 3hwx h ALA 66 Ca 0.31 -0.96 0.11 0.00 0.00 0.00 0.00 54.91 54.38 3hwx h ALA 66 Cb 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3hwx h ALA 66 CO -0.18 1.28 0.51 -0.22 0.00 0.00 0.00 179.25 180.63 3hwx h LYS 67 N 0.00 0.79 0.12 0.00 3.64 -0.53 -1.39 116.57 119.19 3hwx h LYS 67 Ca -0.03 -0.05 -0.36 0.00 -1.27 0.00 0.00 60.65 58.94 3hwx h LYS 67 Cb 1.79 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 3hwx h LYS 67 CO 0.13 0.52 -1.93 0.28 -2.27 0.00 0.00 179.45 176.18 3hwx h VAL 68 N 0.81 0.69 0.00 2.00 2.07 -1.38 -3.38 116.25 117.07 3hwx h VAL 68 Ca 0.44 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3hwx h VAL 68 Cb 0.46 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3hwx h VAL 68 CO -0.27 0.86 -0.08 0.77 0.02 0.00 0.00 177.57 178.87 3hwx h SER 69 N 0.07 0.00 -0.94 0.57 4.64 -1.06 -3.46 113.55 113.37 3hwx h SER 69 Ca -0.40 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 60.66 3hwx h SER 69 Cb 2.04 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 64.03 3hwx h SER 69 CO 0.10 0.00 -0.23 0.29 -0.87 0.00 0.00 176.83 176.12 3hwx n LYS 70 N -2.78 -1.51 -3.24 4.77 4.76 -0.54 -4.98 118.16 114.65 3hwx n LYS 70 Ca 0.04 0.84 -0.25 0.00 -2.87 0.00 0.00 58.31 56.06 3hwx n LYS 70 Cb 0.50 -5.08 -0.01 0.00 -1.84 0.00 0.00 35.03 28.59 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 -2.97 3.52 0.21 1.97 -0.21 -1.26 -4.98 119.66 115.94 3hwx s GLN 71 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 55.36 54.92 3hwx s GLN 71 Cb 0.00 -2.61 -0.09 0.00 1.00 0.00 0.00 33.01 31.31 3hwx s GLN 71 CO 0.00 0.10 0.89 -1.25 -2.12 0.00 0.00 175.29 172.91 3hwx s PRO 72 N -4.23 4.77 -0.09 2.91 0.04 -1.26 -4.32 135.00 132.82 3hwx s PRO 72 Ca 0.42 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.87 3hwx s PRO 72 Cb -0.10 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.18 3hwx s PRO 72 CO 0.36 0.53 -0.14 0.08 0.04 0.00 0.00 177.00 177.87 3hwx s VAL 73 N -1.14 1.37 0.21 -0.36 1.01 -0.87 -4.03 120.40 116.60 3hwx s VAL 73 Ca 0.39 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 3hwx s VAL 73 Cb -0.25 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 3hwx s VAL 73 CO 0.30 0.41 0.57 0.00 0.00 0.00 0.00 175.10 176.38 3hwx s ALA 74 N 0.80 3.54 0.00 5.51 0.00 -0.18 -1.68 121.76 129.76 3hwx s ALA 74 Ca -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3hwx s ALA 74 Cb -0.16 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3hwx s ALA 74 CO 0.02 0.48 -0.08 0.08 0.00 0.00 0.00 175.76 176.26 3hwx s VAL 75 N -1.73 0.59 -0.09 0.00 1.01 0.56 -0.92 120.40 119.81 3hwx s VAL 75 Ca 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3hwx s VAL 75 Cb -0.12 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3hwx s VAL 75 CO 0.20 0.09 -0.07 -0.63 0.00 0.00 0.00 175.10 174.69 3hwx s ILE 76 N -0.33 0.91 0.23 2.22 1.01 -0.41 -1.08 121.20 123.75 3hwx s ILE 76 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3hwx s ILE 76 Cb -0.04 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 3hwx s ILE 76 CO -0.00 0.34 0.03 0.68 0.00 0.00 0.00 174.94 175.99 3hwx s VAL 77 N 1.47 0.81 0.93 2.92 -7.23 -1.08 -1.62 120.40 116.60 3hwx s VAL 77 Ca -0.00 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 3hwx s VAL 77 Cb -0.13 -2.39 0.19 0.00 0.56 0.00 0.00 36.38 34.60 3hwx s VAL 77 CO -0.05 -0.25 1.28 0.28 -0.31 0.00 0.00 175.10 176.05 3hwx s THR 78 N -3.58 2.02 0.71 5.32 -1.32 -1.26 -2.39 115.64 115.14 3hwx s THR 78 Ca 0.30 -0.07 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 3hwx s THR 78 Cb 0.07 -2.95 0.01 0.00 -1.51 0.00 0.00 72.50 68.12 3hwx s THR 78 CO 0.09 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 172.64 3hwx s SER 79 N -4.86 5.38 0.00 8.08 1.04 -1.14 -3.91 113.70 118.29 3hwx s SER 79 Ca 0.73 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.48 3hwx s SER 79 Cb -0.04 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.90 3hwx s SER 79 CO 0.52 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3hwx n GLY 80 N -2.55 -0.10 0.14 7.32 0.00 -1.26 -4.42 105.19 104.32 3hwx n GLY 80 Ca 0.07 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3hwx n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwx n THR 81 N 0.00 0.86 -0.09 2.61 -2.24 -1.26 -2.08 114.28 112.09 3hwx n THR 81 Ca 0.00 0.31 0.06 0.00 -2.27 0.00 0.00 64.05 62.15 3hwx n THR 81 Cb 0.00 -1.26 0.40 0.00 -2.10 0.00 0.00 70.33 67.37 3hwx n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwx h ALA 82 N 2.22 1.73 -0.14 6.98 0.00 -1.83 -1.62 119.26 126.61 3hwx h ALA 82 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hwx h ALA 82 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hwx h ALA 82 CO 0.00 0.20 -0.05 0.28 0.00 0.00 0.00 179.25 179.68 3hwx h VAL 83 N 0.64 1.30 0.00 0.00 2.07 -1.53 -2.93 116.25 115.80 3hwx h VAL 83 Ca 0.23 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3hwx h VAL 83 Cb 0.13 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3hwx h VAL 83 CO -0.06 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3hwx n ALA 84 N -2.35 1.29 0.16 1.67 0.00 -0.89 -1.95 120.51 118.44 3hwx n ALA 84 Ca -0.06 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.54 3hwx n ALA 84 Cb 0.27 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 18.51 3hwx n ALA 84 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hwx h ASN 85 N 0.00 0.00 0.02 0.00 2.35 -1.11 -2.98 115.58 113.85 3hwx h ASN 85 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hwx h ASN 85 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3hwx h ASN 85 CO 0.00 0.32 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.03 3hwx h LEU 86 N 0.00 0.00 -0.83 1.61 3.38 -1.49 -3.28 115.31 114.70 3hwx h LEU 86 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.10 3hwx h LEU 86 Cb 1.25 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 3hwx h LEU 86 CO 0.04 0.00 -0.32 0.22 0.09 0.00 0.00 178.44 178.48 3hwx h TYR 87 N 0.00 -0.84 0.79 1.13 5.03 -1.69 -1.05 116.97 120.35 3hwx h TYR 87 Ca -0.00 0.09 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 3hwx h TYR 87 Cb 0.01 0.49 0.00 0.00 1.55 0.00 0.00 36.73 38.79 3hwx h TYR 87 CO 0.00 -0.39 -0.42 -1.35 -1.32 0.00 0.00 178.16 174.68 3hwx h PRO 88 N -0.05 -1.08 -0.97 1.82 0.11 -1.85 0.59 132.00 130.58 3hwx h PRO 88 Ca 0.34 0.07 0.23 0.00 0.11 0.00 0.00 66.00 66.75 3hwx h PRO 88 Cb 0.60 0.25 -0.08 0.00 0.11 0.00 0.00 31.00 31.87 3hwx h PRO 88 CO -0.87 -0.72 0.63 0.00 -0.21 0.00 0.00 178.00 176.84 3hwx h ALA 89 N -0.95 2.21 0.23 -0.75 0.00 -1.78 -1.62 119.26 116.59 3hwx h ALA 89 Ca -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 89 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hwx h ALA 89 CO 0.15 -0.55 -0.11 1.25 0.00 0.00 0.00 179.25 179.99 3hwx h LEU 90 N 0.41 -0.26 -0.30 0.00 5.85 -0.58 -1.41 115.31 119.02 3hwx h LEU 90 Ca 0.52 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hwx h LEU 90 Cb 1.30 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 3hwx h LEU 90 CO -0.22 0.24 -0.19 0.40 -0.34 0.00 0.00 178.44 178.33 3hwx h ILE 91 N -0.87 0.00 -0.77 4.05 2.04 -0.65 -0.27 117.51 121.05 3hwx h ILE 91 Ca -0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.00 3hwx h ILE 91 Cb 0.51 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.45 3hwx h ILE 91 CO 0.05 0.00 -0.07 -0.08 0.00 0.00 0.00 178.15 178.05 3hwx h GLU 92 N -0.01 0.05 -0.53 2.37 4.57 -1.31 -1.23 114.58 118.49 3hwx h GLU 92 Ca 0.05 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3hwx h GLU 92 Cb 0.13 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3hwx h GLU 92 CO -0.29 0.03 0.21 0.00 -1.18 0.00 0.00 179.01 177.79 3hwx h ALA 93 N 1.74 0.69 -1.05 2.92 0.00 -0.71 0.17 119.26 123.02 3hwx h ALA 93 Ca 0.40 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.43 3hwx h ALA 93 Cb 0.68 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 3hwx h ALA 93 CO -0.72 0.30 0.65 0.78 0.00 0.00 0.00 179.25 180.25 3hwx h GLY 94 N 0.71 1.49 0.10 0.00 0.00 0.08 0.23 103.07 105.67 3hwx h GLY 94 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 3hwx h GLY 94 CO -0.01 -0.21 -0.49 1.41 0.00 0.00 0.00 176.54 177.23 3hwx h LEU 95 N 0.43 0.07 0.00 3.11 3.38 -0.30 -3.41 115.31 118.58 3hwx h LEU 95 Ca 0.63 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hwx h LEU 95 Cb 1.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3hwx h LEU 95 CO -0.38 1.20 -0.81 0.71 0.09 0.00 0.00 178.44 179.26 3hwx h THR 96 N -0.90 0.00 0.00 0.22 1.35 -0.58 -3.49 112.91 109.51 3hwx h THR 96 Ca -0.12 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3hwx h THR 96 Cb 1.19 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3hwx h THR 96 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 3hwx n GLY 97 N 1.30 2.29 3.53 5.82 0.00 0.80 -5.02 105.19 113.92 3hwx n GLY 97 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.75 0.96 -3.38 1.61 4.71 -1.21 -2.05 120.64 120.53 3hwx n GLU 98 Ca 0.00 0.34 -0.40 0.00 -0.01 0.00 0.00 57.16 57.09 3hwx n GLU 98 Cb 0.00 -1.72 -0.09 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 -1.67 3.70 -0.17 3.49 1.02 -1.26 -2.30 119.74 122.55 3hwx s LYS 99 Ca 0.62 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.36 3hwx s LYS 99 Cb -0.64 -3.76 0.02 0.00 -0.52 0.00 0.00 37.83 32.93 3hwx s LYS 99 CO 0.58 -0.47 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.85 3hwx s LEU 100 N 2.08 2.01 -0.41 3.17 1.43 -1.12 -2.05 118.68 123.80 3hwx s LEU 100 Ca 0.14 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 3hwx s LEU 100 Cb -0.16 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3hwx s LEU 100 CO 0.11 -0.02 0.54 -0.63 0.23 0.00 0.00 176.35 176.59 3hwx s ILE 101 N 1.34 4.97 -0.51 -0.59 -1.09 -0.68 0.68 121.20 125.33 3hwx s ILE 101 Ca 0.05 0.04 -0.13 0.00 -2.23 0.00 0.00 60.65 58.38 3hwx s ILE 101 Cb -0.13 -4.08 0.13 0.00 -1.58 0.00 0.00 42.46 36.80 3hwx s ILE 101 CO -0.12 -0.42 0.43 -0.76 -1.23 0.00 0.00 174.94 172.83 3hwx s LEU 102 N 2.47 5.96 -0.52 2.97 1.43 0.72 -0.32 118.68 131.38 3hwx s LEU 102 Ca 0.18 -1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 51.23 3hwx s LEU 102 Cb -0.15 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.01 3hwx s LEU 102 CO 0.16 -0.78 0.66 -0.76 0.23 0.00 0.00 176.35 175.85 3hwx s LEU 103 N 1.48 4.97 -0.39 1.79 1.43 -0.24 0.21 118.68 127.93 3hwx s LEU 103 Ca 0.04 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 3hwx s LEU 103 Cb -0.28 -2.44 0.10 0.00 0.03 0.00 0.00 46.19 43.60 3hwx s LEU 103 CO 0.01 -0.95 0.18 0.42 0.23 0.00 0.00 176.35 176.24 3hwx s THR 104 N 2.72 3.23 0.49 5.49 -4.23 -0.65 -2.63 115.64 120.06 3hwx s THR 104 Ca 0.15 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.47 3hwx s THR 104 Cb -0.20 -3.18 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 3hwx s THR 104 CO 0.11 -0.62 0.76 0.00 -0.54 0.00 0.00 174.62 174.34 3hwx n ALA 105 N 4.59 -0.58 -2.71 3.99 0.00 -1.00 -2.31 120.51 122.48 3hwx n ALA 105 Ca -0.03 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3hwx n ALA 105 Cb 0.42 -1.94 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 3hwx n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hwx s ASP 106 N -0.99 0.02 0.69 0.00 -1.08 -0.84 -2.88 116.67 111.60 3hwx s ASP 106 Ca 0.67 -0.65 -0.11 0.00 -0.52 0.00 0.00 52.55 51.94 3hwx s ASP 106 Cb -0.52 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.35 3hwx s ASP 106 CO 0.55 -0.81 1.06 -0.13 0.52 0.00 0.00 175.17 176.36 3hwx s ARG 107 N -3.88 2.99 0.77 4.34 1.81 -1.26 -1.07 118.95 122.65 3hwx s ARG 107 Ca 0.08 0.87 -0.11 0.00 -1.72 0.00 0.00 55.73 54.85 3hwx s ARG 107 Cb 0.04 -2.00 0.06 0.00 -0.45 0.00 0.00 34.95 32.59 3hwx s ARG 107 CO -0.08 -1.04 1.09 -1.25 -0.68 0.00 0.00 175.30 173.35 3hwx s PRO 108 N -5.09 2.26 0.29 3.54 0.04 -1.23 -4.49 135.00 130.31 3hwx s PRO 108 Ca 0.58 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 3hwx s PRO 108 Cb -0.13 -1.90 0.54 0.00 0.04 0.00 0.00 34.50 33.05 3hwx s PRO 108 CO 0.55 -1.64 1.57 -1.00 0.04 0.00 0.00 177.00 176.51 3hwx h PRO 109 N -1.08 0.00 0.00 0.56 0.13 -1.96 -1.39 132.00 128.27 3hwx h PRO 109 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3hwx h PRO 109 Cb 1.23 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hwx h PRO 109 CO 0.51 0.00 0.08 0.39 -0.23 0.00 0.00 178.00 178.75 3hwx n GLU 110 N -5.58 0.02 -0.01 0.86 4.71 -1.26 -1.03 120.64 118.36 3hwx n GLU 110 Ca 0.18 0.46 0.02 0.00 -0.01 0.00 0.00 57.16 57.80 3hwx n GLU 110 Cb 0.57 -1.63 0.02 0.00 -1.01 0.00 0.00 31.44 29.39 3hwx n GLU 110 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hwx n LEU 111 N -1.54 1.45 -4.85 -4.62 4.77 -0.52 -4.94 117.00 106.74 3hwx n LEU 111 Ca -0.00 -1.17 -0.36 0.00 -0.03 0.00 0.00 56.01 54.45 3hwx n LEU 111 Cb 0.08 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3hwx n LEU 111 CO 0.01 0.33 0.15 -0.63 -1.33 0.00 0.00 177.39 175.93 3hwx s ILE 112 N -0.40 4.97 -1.35 -0.08 -1.09 -0.19 -4.39 121.20 118.67 3hwx s ILE 112 Ca 0.04 0.72 -0.06 0.00 -2.23 0.00 0.00 60.65 59.12 3hwx s ILE 112 Cb 0.03 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 3hwx s ILE 112 CO 0.04 0.35 0.83 0.47 -1.23 0.00 0.00 174.94 175.41 3hwx n ASP 113 N 1.12 -5.94 -2.62 3.58 8.00 -1.26 -4.93 116.55 114.49 3hwx n ASP 113 Ca -0.08 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3hwx n ASP 113 Cb 0.52 -4.67 0.05 0.00 -0.02 0.00 0.00 41.12 37.00 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 -0.44 3.85 0.00 0.00 -1.26 -4.97 105.19 101.93 3hwx n GLY 115 Ca 0.08 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.57 3.09 0.17 4.61 0.00 -1.26 -5.01 121.76 120.78 3hwx s ALA 116 Ca 0.41 0.10 -0.33 0.00 0.00 0.00 0.00 51.96 52.14 3hwx s ALA 116 Cb -0.24 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 3hwx s ALA 116 CO 0.50 -0.34 1.68 -1.71 0.00 0.00 0.00 175.76 175.89 3hwx n ASN 117 N -1.85 3.57 -0.75 0.00 2.85 -1.26 -3.03 115.26 114.80 3hwx n ASN 117 Ca 0.06 1.06 -0.10 0.00 -0.11 0.00 0.00 54.58 55.49 3hwx n ASN 117 Cb 0.54 -1.50 -0.04 0.00 1.24 0.00 0.00 39.78 40.02 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 4.00 -1.57 -3.60 1.20 7.27 -1.26 -4.97 117.38 118.45 3hwx n GLN 118 Ca 0.17 0.82 -0.36 0.00 0.07 0.00 0.00 57.00 57.70 3hwx n GLN 118 Cb 0.32 -5.16 -0.08 0.00 2.41 0.00 0.00 30.24 27.74 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 -1.92 3.62 0.19 1.69 0.00 -1.17 -4.09 121.76 120.09 3hwx s ALA 119 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3hwx s ALA 119 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 3hwx s ALA 119 CO 0.00 0.00 0.05 0.96 0.00 0.00 0.00 175.76 176.77 3hwx s ILE 120 N 0.67 0.45 -0.31 0.00 -4.36 -1.26 -4.83 121.20 111.57 3hwx s ILE 120 Ca 0.13 -1.97 -0.29 0.00 -0.26 0.00 0.00 60.65 58.25 3hwx s ILE 120 Cb -0.13 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.31 3hwx s ILE 120 CO 0.03 -0.29 1.09 -0.13 0.24 0.00 0.00 174.94 175.88 3hwx s ARG 121 N -4.00 4.08 -0.08 0.37 0.52 -1.26 -4.90 118.95 113.68 3hwx s ARG 121 Ca 0.30 1.12 0.05 0.00 -0.52 0.00 0.00 55.73 56.68 3hwx s ARG 121 Cb 0.07 -3.74 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 3hwx s ARG 121 CO 0.07 -0.89 0.00 1.04 0.02 0.00 0.00 175.30 175.55 3hwx n GLN 122 N 6.84 2.22 -2.38 3.54 6.02 -1.26 -4.75 117.38 127.61 3hwx n GLN 122 Ca 0.12 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.70 3hwx n GLN 122 Cb 0.47 -1.19 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 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 -2.19 4.42 0.00 -1.09 0.02 -1.26 -2.73 135.00 132.17 3hwx s PRO 123 Ca -0.06 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.78 3hwx s PRO 123 Cb 0.02 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3hwx s PRO 123 CO 0.29 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 3hwx n GLY 124 N 3.24 0.50 0.16 0.52 0.00 -1.26 -4.98 105.19 103.37 3hwx n GLY 124 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3hwx n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx h MET 125 N 4.89 0.00 -0.01 1.61 -0.00 -1.81 -2.18 114.93 117.43 3hwx h MET 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hwx h MET 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3hwx h MET 125 CO 0.00 0.47 -0.10 1.19 -0.00 0.00 0.00 176.91 178.47 3hwx n PHE 126 N -3.39 0.00 0.00 -0.10 3.72 -1.26 -5.02 117.46 111.41 3hwx n PHE 126 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3hwx n PHE 126 Cb 0.63 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 -0.30 0.00 -0.54 4.37 0.00 -0.82 -1.83 120.51 121.39 3hwx n ALA 127 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 3hwx n ALA 127 Cb 0.33 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.03 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 7.30 4.27 0.05 0.00 3.41 -1.26 -4.37 113.62 123.01 3hwx n SER 128 Ca 0.00 -2.89 0.01 0.00 -0.26 0.00 0.00 58.87 55.72 3hwx n SER 128 Cb 0.00 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.20 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 2.26 0.00 -3.27 7.33 -0.00 -1.78 -3.45 115.15 116.23 3hwx h HIS 129 Ca 0.17 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.97 3hwx h HIS 129 Cb 1.92 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 29.29 3hwx h HIS 129 CO 0.98 0.55 -0.01 -1.25 -0.00 0.00 0.00 177.93 178.20 3hwx s PRO 130 N -2.94 4.25 0.15 2.45 0.04 -1.26 -4.50 135.00 133.19 3hwx s PRO 130 Ca -0.02 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 3hwx s PRO 130 Cb 0.09 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.44 3hwx s PRO 130 CO 0.80 0.62 1.74 1.15 0.04 0.00 0.00 177.00 181.35 3hwx h THR 131 N 3.55 0.87 -4.05 1.26 2.02 -1.28 -3.42 112.91 111.85 3hwx h THR 131 Ca -0.49 -0.08 -0.44 0.00 0.77 0.00 0.00 66.41 66.17 3hwx h THR 131 Cb 1.21 0.61 -0.25 0.00 -1.74 0.00 0.00 68.15 67.98 3hwx h THR 131 CO 0.64 0.04 -0.79 -1.00 0.37 0.00 0.00 175.52 174.78 3hwx s HIS 132 N -6.16 1.20 -0.12 3.16 3.76 -1.20 -5.06 115.29 110.87 3hwx s HIS 132 Ca -0.13 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 3hwx s HIS 132 Cb 0.12 -0.72 0.01 0.00 1.11 0.00 0.00 32.58 33.10 3hwx s HIS 132 CO 0.71 0.02 -0.21 -1.12 -0.85 0.00 0.00 174.74 173.29 3hwx s SER 133 N -1.02 2.97 -0.16 1.40 0.01 -1.26 -1.94 113.70 113.69 3hwx s SER 133 Ca 0.02 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 3hwx s SER 133 Cb -0.07 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 3hwx s SER 133 CO 0.01 0.10 -0.10 -0.63 0.41 0.00 0.00 173.24 173.03 3hwx s ILE 134 N 0.66 3.17 -0.85 1.44 1.01 -0.28 -4.97 121.20 121.37 3hwx s ILE 134 Ca -0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 3hwx s ILE 134 Cb -0.16 -2.37 0.21 0.00 0.01 0.00 0.00 42.46 40.15 3hwx s ILE 134 CO 0.02 0.49 0.72 -0.55 0.00 0.00 0.00 174.94 175.62 3hwx s SER 135 N 0.75 5.77 0.43 3.58 0.15 -1.26 -0.98 113.70 122.14 3hwx s SER 135 Ca -0.04 -3.71 -0.24 0.00 0.70 0.00 0.00 55.95 52.66 3hwx s SER 135 Cb -0.15 -1.86 -0.10 0.00 -1.71 0.00 0.00 66.02 62.19 3hwx s SER 135 CO 0.02 -0.17 0.98 0.18 1.20 0.00 0.00 173.24 175.44 3hwx n LEU 136 N 2.32 2.50 0.00 3.45 4.77 -0.64 -4.98 117.00 124.42 3hwx n LEU 136 Ca 0.21 1.01 -0.12 0.00 -0.03 0.00 0.00 56.01 57.08 3hwx n LEU 136 Cb 0.37 -1.34 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 3hwx n LEU 136 CO 0.35 -1.59 0.35 -0.81 -1.33 0.00 0.00 177.39 174.36 3hwx n PRO 137 N 0.11 -0.40 -2.07 3.23 -0.04 -1.26 -4.55 135.00 130.01 3hwx n PRO 137 Ca 0.10 -0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 62.21 3hwx n PRO 137 Cb 0.40 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 3hwx n PRO 137 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3hwx s ARG 138 N -4.12 3.94 0.21 0.54 3.52 -1.26 -4.54 118.95 117.23 3hwx s ARG 138 Ca 0.31 1.87 -0.31 0.00 -0.13 0.00 0.00 55.73 57.47 3hwx s ARG 138 Cb -0.01 -4.02 -0.15 0.00 -1.56 0.00 0.00 34.95 29.21 3hwx s ARG 138 CO 0.22 -1.13 1.06 -2.30 -0.81 0.00 0.00 175.30 172.34 3hwx n PRO 139 N 7.45 1.10 -3.55 5.12 -0.02 -1.26 -4.98 135.00 138.86 3hwx n PRO 139 Ca 0.18 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3hwx n PRO 139 Cb 0.44 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.52 0.00 0.45 3.45 -1.32 -1.26 -5.03 115.64 111.41 3hwx s THR 140 Ca 0.68 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.44 3hwx s THR 140 Cb -0.82 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 69.48 3hwx s THR 140 CO 0.55 0.00 2.11 1.56 -2.21 0.00 0.00 174.62 176.63 3hwx h GLN 141 N 2.86 0.00 0.00 7.08 4.20 -1.99 -3.08 115.11 124.19 3hwx h GLN 141 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3hwx h GLN 141 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3hwx h GLN 141 CO 0.34 0.09 0.00 -0.25 -0.67 0.00 0.00 178.83 178.34 3hwx n ASP 142 N -3.67 0.00 -4.18 1.46 9.92 -1.26 -4.14 116.55 114.68 3hwx n ASP 142 Ca -0.02 -0.13 -0.34 0.00 -0.53 0.00 0.00 54.79 53.77 3hwx n ASP 142 Cb 0.21 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.47 3hwx n ASP 142 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hwx s ILE 143 N -2.14 2.82 0.89 0.53 1.01 -1.16 -5.11 121.20 118.04 3hwx s ILE 143 Ca 0.10 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 3hwx s ILE 143 Cb 0.05 -2.49 0.13 0.00 0.01 0.00 0.00 42.46 40.16 3hwx s ILE 143 CO 0.09 0.11 1.15 -2.16 0.00 0.00 0.00 174.94 174.13 3hwx s PRO 144 N 1.28 1.14 0.54 2.79 0.04 -1.26 -4.85 135.00 134.69 3hwx s PRO 144 Ca -0.02 1.57 0.31 0.00 0.04 0.00 0.00 61.00 62.90 3hwx s PRO 144 Cb -0.18 -1.74 1.47 0.00 0.04 0.00 0.00 34.50 34.09 3hwx s PRO 144 CO -0.04 -2.54 2.04 0.00 0.04 0.00 0.00 177.00 176.50 3hwx h ALA 145 N -1.71 1.11 -0.31 8.56 0.00 -1.90 -2.84 119.26 122.17 3hwx h ALA 145 Ca -0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3hwx h ALA 145 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hwx h ALA 145 CO 0.42 0.11 -0.02 0.07 0.00 0.00 0.00 179.25 179.84 3hwx h ARG 146 N 0.00 0.56 0.02 0.00 0.11 -1.91 -0.99 114.38 112.16 3hwx h ARG 146 Ca -0.00 -0.19 0.02 0.00 0.10 0.00 0.00 59.98 59.91 3hwx h ARG 146 Cb 0.42 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 3hwx h ARG 146 CO 0.01 0.71 -0.13 2.35 0.10 0.00 0.00 179.97 183.01 3hwx h TRP 147 N 0.35 -0.34 -0.24 4.08 7.01 -1.86 1.51 115.95 126.46 3hwx h TRP 147 Ca 0.09 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.15 3hwx h TRP 147 Cb 0.47 0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 27.61 3hwx h TRP 147 CO 0.04 -0.20 -0.40 1.25 -2.79 0.00 0.00 178.44 176.34 3hwx h LEU 148 N -0.23 -1.28 -0.44 0.65 5.85 -1.53 0.04 115.31 118.38 3hwx h LEU 148 Ca 0.04 0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.77 3hwx h LEU 148 Cb 0.28 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hwx h LEU 148 CO -0.12 -0.39 -0.74 1.62 -0.34 0.00 0.00 178.44 178.47 3hwx h VAL 149 N -0.40 1.41 -0.99 1.05 3.04 -0.46 -1.44 116.25 118.47 3hwx h VAL 149 Ca 0.11 -2.23 0.06 0.00 -1.01 0.00 0.00 66.70 63.63 3hwx h VAL 149 Cb 0.59 2.18 -0.06 0.00 -2.01 0.00 0.00 31.29 31.99 3hwx h VAL 149 CO -0.46 0.66 0.64 0.28 -1.01 0.00 0.00 177.57 177.68 3hwx h SER 150 N 0.20 1.03 0.02 3.17 0.02 0.24 -2.35 113.55 115.88 3hwx h SER 150 Ca -0.03 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 3hwx h SER 150 Cb 1.31 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3hwx h SER 150 CO 0.12 0.66 -0.39 0.74 -1.14 0.00 0.00 176.83 176.82 3hwx h THR 151 N 1.17 1.30 -0.28 -2.27 2.02 0.12 -1.67 112.91 113.29 3hwx h THR 151 Ca 0.42 -1.54 -0.19 0.00 0.77 0.00 0.00 66.41 65.87 3hwx h THR 151 Cb 0.15 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3hwx h THR 151 CO -0.16 0.48 -0.57 0.40 0.37 0.00 0.00 175.52 176.03 3hwx h ILE 152 N 0.40 1.27 -0.60 3.11 5.03 -1.32 -2.87 117.51 122.53 3hwx h ILE 152 Ca 0.04 -1.76 0.12 0.00 -0.12 0.00 0.00 64.86 63.14 3hwx h ILE 152 Cb 0.86 1.66 -0.09 0.00 -3.03 0.00 0.00 36.82 36.22 3hwx h ILE 152 CO 0.07 0.57 0.07 0.44 -0.68 0.00 0.00 178.15 178.62 3hwx h ASP 153 N 0.67 -0.13 -0.07 1.72 5.19 -1.12 0.28 116.42 122.95 3hwx h ASP 153 Ca 0.01 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3hwx h ASP 153 Cb 1.19 0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.91 3hwx h ASP 153 CO 0.13 -0.05 -0.02 -0.74 -3.12 0.00 0.00 179.24 175.43 3hwx h HIS 154 N 0.18 0.15 -0.24 4.55 -0.00 -1.27 0.36 115.15 118.90 3hwx h HIS 154 Ca 0.32 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.71 3hwx h HIS 154 Cb 0.50 -0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 27.82 3hwx h HIS 154 CO -0.30 0.47 -0.13 0.00 -0.00 0.00 0.00 177.93 177.97 3hwx h ALA 155 N 0.66 0.06 0.01 5.26 0.00 -1.28 -2.88 119.26 121.09 3hwx h ALA 155 Ca 0.02 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 155 Cb 0.42 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3hwx h ALA 155 CO 0.01 -0.54 -0.88 -0.07 0.00 0.00 0.00 179.25 177.77 3hwx h LEU 156 N -0.11 0.06 -0.68 0.00 4.07 -0.35 -3.25 115.31 115.05 3hwx h LEU 156 Ca 0.13 -0.05 -0.09 0.00 0.08 0.00 0.00 57.88 57.95 3hwx h LEU 156 Cb 0.30 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3hwx h LEU 156 CO -0.30 0.90 0.00 1.23 -1.08 0.00 0.00 178.44 179.19 3hwx h GLY 157 N 2.43 1.10 -3.07 0.83 0.00 -0.24 -3.05 103.07 101.07 3hwx h GLY 157 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3hwx h GLY 157 CO 0.12 0.73 0.00 -1.30 0.00 0.00 0.00 176.54 176.09 3hwx n THR 158 N -4.18 2.34 -2.72 4.70 -2.24 -1.09 -4.20 114.28 106.89 3hwx n THR 158 Ca 0.03 -1.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.00 3hwx n THR 158 Cb 0.34 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.41 3.80 -0.04 3.22 2.96 -1.15 -4.89 118.68 120.16 3hwx s LEU 159 Ca 0.51 -0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 53.80 3hwx s LEU 159 Cb 0.37 -2.79 -0.21 0.00 0.50 0.00 0.00 46.19 44.06 3hwx s LEU 159 CO 0.18 -1.45 1.16 -0.74 -1.32 0.00 0.00 176.35 174.18 3hwx h HIS 160 N 9.55 0.06 -2.88 5.38 -0.00 -1.91 -3.49 115.15 121.87 3hwx h HIS 160 Ca -0.27 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.16 3hwx h HIS 160 Cb 1.06 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 28.40 3hwx h HIS 160 CO 1.00 0.65 0.27 0.00 -0.00 0.00 0.00 177.93 179.85 3hwx s ALA 161 N -3.76 -1.36 0.00 5.26 0.00 -1.26 -5.06 121.76 115.57 3hwx s ALA 161 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3hwx s ALA 161 Cb 0.01 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3hwx s ALA 161 CO 0.69 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3hwx n GLY 162 N -0.44 -2.34 3.90 0.00 0.00 -0.87 -4.74 105.19 100.70 3hwx n GLY 162 Ca -0.06 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.47 1.72 -0.09 -0.02 0.00 -1.26 -2.78 107.32 104.41 3hwx s GLY 163 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.67 3hwx s GLY 163 CO 0.00 -1.08 -0.20 0.14 0.00 0.00 0.00 173.10 171.95 3hwx s VAL 164 N -1.73 1.79 -0.46 1.40 1.01 0.21 -0.84 120.40 121.79 3hwx s VAL 164 Ca 0.33 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3hwx s VAL 164 Cb -0.11 -1.57 0.09 0.00 0.00 0.00 0.00 36.38 34.79 3hwx s VAL 164 CO 0.27 0.50 0.34 -2.28 0.00 0.00 0.00 175.10 173.93 3hwx s HIS 165 N 0.49 3.31 -0.46 5.22 2.46 -0.82 -0.20 115.29 125.30 3hwx s HIS 165 Ca -0.16 -1.37 -0.15 0.00 0.47 0.00 0.00 55.06 53.85 3hwx s HIS 165 Cb -0.17 -3.20 0.06 0.00 -0.13 0.00 0.00 32.58 29.14 3hwx s HIS 165 CO 0.06 -0.87 0.36 0.42 -2.47 0.00 0.00 174.74 172.24 3hwx s ILE 166 N 1.50 5.12 -0.03 0.89 1.01 0.58 -1.13 121.20 129.14 3hwx s ILE 166 Ca 0.04 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 3hwx s ILE 166 Cb -0.25 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3hwx s ILE 166 CO 0.03 -0.52 0.81 0.21 0.00 0.00 0.00 174.94 175.47 3hwx s ASN 167 N 2.40 7.16 -0.52 3.58 2.47 -0.15 -1.63 114.94 128.24 3hwx s ASN 167 Ca 0.04 1.39 0.04 0.00 0.42 0.00 0.00 52.86 54.75 3hwx s ASN 167 Cb -0.23 -2.48 0.15 0.00 -1.45 0.00 0.00 41.25 37.24 3hwx s ASN 167 CO 0.07 -0.16 0.35 0.00 -3.72 0.00 0.00 177.10 173.63 3hwx n PRO 169 N 2.85 2.22 -3.90 0.00 -0.02 -1.26 -1.98 135.00 132.92 3hwx n PRO 169 Ca 0.17 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 3hwx n PRO 169 Cb 0.38 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 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 -1.02 0.06 0.23 6.00 0.08 -0.23 -4.44 117.98 118.66 3hwx s PHE 170 Ca 0.56 -0.00 -0.00 0.00 0.12 0.00 0.00 56.93 57.61 3hwx s PHE 170 Cb -0.56 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 3hwx s PHE 170 CO 0.62 -0.01 0.42 0.00 -0.10 0.00 0.00 175.22 176.14 3hwx s ALA 171 N 0.08 3.81 0.46 5.36 0.00 -1.26 -3.58 121.76 126.63 3hwx s ALA 171 Ca -0.01 -0.87 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 3hwx s ALA 171 Cb -0.01 -2.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 3hwx s ALA 171 CO -0.00 0.34 1.03 -1.21 0.00 0.00 0.00 175.76 175.93 3hwx s GLU 172 N -3.53 3.92 0.25 0.00 2.02 -1.26 -4.33 118.70 115.76 3hwx s GLU 172 Ca 0.38 1.38 -0.30 0.00 0.02 0.00 0.00 54.97 56.45 3hwx s GLU 172 Cb -0.11 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 3hwx s GLU 172 CO 0.30 -0.33 0.96 -1.25 0.02 0.00 0.00 175.26 174.96 3hwx s PRO 173 N -3.06 4.82 0.10 0.39 0.05 -1.26 -4.99 135.00 131.06 3hwx s PRO 173 Ca 0.65 1.52 0.20 0.00 0.05 0.00 0.00 61.00 63.42 3hwx s PRO 173 Cb -0.17 -3.25 -0.11 0.00 0.05 0.00 0.00 34.50 31.02 3hwx s PRO 173 CO 0.21 0.47 0.84 1.28 0.05 0.00 0.00 177.00 179.86 3hwx n LEU 174 N 1.41 0.68 -4.24 -3.56 4.77 -1.26 -4.02 117.00 110.79 3hwx n LEU 174 Ca -0.02 0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 3hwx n LEU 174 Cb 0.47 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 3hwx n LEU 174 CO 0.50 -0.03 -0.53 -0.31 -1.33 0.00 0.00 177.39 175.69 3hwx s TYR 175 N -3.22 1.93 -0.06 -1.77 2.02 -1.26 -4.82 117.35 110.17 3hwx s TYR 175 Ca -0.03 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3hwx s TYR 175 Cb 0.10 -1.24 0.10 0.00 -0.40 0.00 0.00 41.96 40.52 3hwx s TYR 175 CO 0.82 -0.03 1.34 0.20 -1.57 0.00 0.00 175.55 176.31 3hwx s GLY 176 N -0.54 -0.20 0.01 0.71 0.00 -1.26 -4.91 107.32 101.14 3hwx s GLY 176 Ca 0.08 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 3hwx s GLY 176 CO -0.01 5.86 1.50 1.85 0.00 0.00 0.00 173.10 182.30 3hwx s GLU 177 N -2.02 4.25 -0.07 2.90 2.12 -1.26 -4.97 118.70 119.65 3hwx s GLU 177 Ca 0.30 2.09 -0.29 0.00 0.36 0.00 0.00 54.97 57.43 3hwx s GLU 177 Cb 0.00 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3hwx s GLU 177 CO -0.02 -0.65 0.95 1.41 -0.54 0.00 0.00 175.26 176.41 3hwx s MET 178 N 2.64 4.47 0.46 4.30 -2.45 -1.26 -4.62 119.30 122.84 3hwx s MET 178 Ca 0.68 1.32 0.05 0.00 -1.25 0.00 0.00 55.69 56.49 3hwx s MET 178 Cb -0.34 -3.50 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 3hwx s MET 178 CO 0.28 -0.18 0.07 0.34 1.05 0.00 0.00 175.02 176.58 3hwx s ASP 179 N 1.04 4.13 0.00 1.11 -1.08 -1.26 -4.97 116.67 115.63 3hwx s ASP 179 Ca 0.48 -1.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.09 3hwx s ASP 179 Cb -0.19 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.26 3hwx s ASP 179 CO 0.21 -0.67 0.56 0.47 0.52 0.00 0.00 175.17 176.27 3hwx n ASP 180 N -1.19 1.52 -4.71 -0.34 10.43 -1.26 -4.92 116.55 116.07 3hwx n ASP 180 Ca -0.09 -1.48 -0.42 0.00 2.57 0.00 0.00 54.79 55.37 3hwx n ASP 180 Cb 0.66 -0.37 -0.03 0.00 1.84 0.00 0.00 41.12 43.22 3hwx n ASP 180 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3hwx s THR 181 N -0.34 4.67 -1.87 -3.53 2.01 -1.26 -3.32 115.64 112.00 3hwx s THR 181 Ca 0.00 1.98 0.00 0.00 0.31 0.00 0.00 61.69 63.98 3hwx s THR 181 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.24 3hwx s THR 181 CO 0.00 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 3hwx n GLY 182 N 2.78 1.39 0.12 4.40 0.00 -1.26 -4.19 105.19 108.43 3hwx n GLY 182 Ca 0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.35 -1.69 0.99 5.85 -1.91 -2.60 115.31 116.30 3hwx h LEU 183 Ca -0.39 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 57.70 3hwx h LEU 183 Cb 1.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3hwx h LEU 183 CO 0.54 0.89 -0.18 0.77 -0.34 0.00 0.00 178.44 180.12 3hwx h SER 184 N -0.17 0.00 -0.29 1.25 4.64 -1.90 -2.51 113.55 114.57 3hwx h SER 184 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3hwx h SER 184 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3hwx h SER 184 CO 0.05 0.18 0.00 -0.25 -0.87 0.00 0.00 176.83 175.95 3hwx h TRP 185 N 0.00 0.55 -0.39 4.77 7.01 -1.94 -2.74 115.95 123.20 3hwx h TRP 185 Ca -0.00 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.90 3hwx h TRP 185 Cb 0.36 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 3hwx h TRP 185 CO 0.00 0.64 0.23 1.96 -2.79 0.00 0.00 178.44 178.49 3hwx h GLN 186 N 0.30 0.53 -0.00 2.65 4.20 -1.31 -3.20 115.11 118.27 3hwx h GLN 186 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hwx h GLN 186 Cb 0.42 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3hwx h GLN 186 CO 0.01 0.37 -0.08 1.04 -0.67 0.00 0.00 178.83 179.51 3hwx n GLN 187 N -4.45 0.69 0.00 1.46 6.02 -0.96 -2.92 117.38 117.21 3hwx n GLN 187 Ca 0.03 -0.19 0.04 0.00 -0.01 0.00 0.00 57.00 56.87 3hwx n GLN 187 Cb 0.08 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.06 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 -0.99 0.44 -0.00 -1.09 5.12 -1.10 -2.23 116.66 116.80 3hwx n ARG 188 Ca 0.15 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.15 3hwx n ARG 188 Cb 0.26 -1.25 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 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 -0.75 0.29 0.00 0.55 4.77 -1.15 -4.93 117.00 115.77 3hwx n LEU 189 Ca 0.05 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3hwx n LEU 189 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hwx n LEU 189 CO 0.04 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3hwx n GLY 190 N 1.51 1.81 0.09 -0.72 0.00 -0.95 -2.83 105.19 104.10 3hwx n GLY 190 Ca -0.01 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 2.85 0.27 -0.24 1.61 5.68 -1.26 -2.88 116.55 122.59 3hwx n ASP 191 Ca 0.00 -1.76 -0.05 0.00 -0.50 0.00 0.00 54.79 52.47 3hwx n ASP 191 Cb 0.00 -0.03 0.05 0.00 -1.14 0.00 0.00 41.12 40.00 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 0.32 0.85 -0.07 2.11 7.01 -1.92 0.18 115.95 124.43 3hwx h TRP 192 Ca 0.00 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.04 3hwx h TRP 192 Cb 0.07 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 3hwx h TRP 192 CO 0.03 0.54 0.42 -1.49 -2.79 0.00 0.00 178.44 175.15 3hwx h TRP 193 N 0.91 0.00 0.00 2.65 4.06 -1.75 -1.47 115.95 120.36 3hwx h TRP 193 Ca 0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.20 3hwx h TRP 193 Cb -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3hwx h TRP 193 CO -0.02 0.00 -1.03 1.04 -3.56 0.00 0.00 178.44 174.87 3hwx n GLN 194 N -2.97 0.49 -2.17 0.49 3.00 0.53 -5.03 117.38 111.72 3hwx n GLN 194 Ca -0.00 -0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 3hwx n GLN 194 Cb 0.48 -1.44 0.16 0.00 0.00 0.00 0.00 30.24 29.45 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 -3.00 3.51 0.00 1.08 2.15 -0.55 -5.04 116.67 114.81 3hwx s ASP 195 Ca 0.06 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.06 3hwx s ASP 195 Cb 0.15 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.60 3hwx s ASP 195 CO 0.81 -2.46 0.65 -0.90 -0.17 0.00 0.00 175.17 173.11 3hwx n ASP 196 N -3.45 1.27 -4.89 -0.34 5.68 -1.26 -5.03 116.55 108.53 3hwx n ASP 196 Ca 0.15 -1.34 -0.29 0.00 -0.50 0.00 0.00 54.79 52.81 3hwx n ASP 196 Cb 0.60 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.57 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hwx s LYS 197 N -0.34 3.63 0.83 0.11 -0.14 -1.26 -4.78 119.74 117.78 3hwx s LYS 197 Ca 0.00 0.34 -0.11 0.00 -1.36 0.00 0.00 55.97 54.84 3hwx s LYS 197 Cb 0.00 -2.36 0.09 0.00 -1.68 0.00 0.00 37.83 33.89 3hwx s LYS 197 CO 0.00 -0.17 1.14 -2.14 -0.76 0.00 0.00 175.35 173.41 3hwx s PRO 198 N -4.46 1.68 0.02 -1.68 0.02 -1.26 -4.89 135.00 124.42 3hwx s PRO 198 Ca 0.49 1.45 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 3hwx s PRO 198 Cb -0.10 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 3hwx s PRO 198 CO 0.41 -2.12 1.05 2.35 -0.33 0.00 0.00 177.00 178.36 3hwx h TRP 199 N -1.30 -0.48 -3.50 6.54 2.91 -1.94 -3.41 115.95 114.76 3hwx h TRP 199 Ca -0.44 -0.01 -0.61 0.00 1.13 0.00 0.00 58.89 58.96 3hwx h TRP 199 Cb 1.26 0.16 -0.12 0.00 -0.51 0.00 0.00 29.16 29.95 3hwx h TRP 199 CO 0.53 -0.30 0.11 -1.17 -1.03 0.00 0.00 178.44 176.58 3hwx s LEU 200 N -6.62 4.06 -0.67 0.65 2.96 -1.26 -5.05 118.68 112.76 3hwx s LEU 200 Ca -0.08 0.67 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 3hwx s LEU 200 Cb 0.01 -2.81 0.14 0.00 0.50 0.00 0.00 46.19 44.03 3hwx s LEU 200 CO 0.23 -0.34 0.71 -0.13 -1.32 0.00 0.00 176.35 175.50 3hwx s ARG 201 N 2.42 3.22 -0.24 1.98 0.52 -1.26 -4.76 118.95 120.83 3hwx s ARG 201 Ca 0.25 -1.72 0.02 0.00 -0.52 0.00 0.00 55.73 53.76 3hwx s ARG 201 Cb -0.16 -4.38 0.05 0.00 0.52 0.00 0.00 34.95 30.98 3hwx s ARG 201 CO 0.09 -1.46 -0.12 -2.00 0.02 0.00 0.00 175.30 171.83 3hwx s GLU 202 N 1.85 2.47 -0.36 3.54 2.12 -1.26 -5.01 118.70 122.04 3hwx s GLU 202 Ca 0.13 -1.19 0.13 0.00 0.36 0.00 0.00 54.97 54.40 3hwx s GLU 202 Cb -0.20 -2.84 0.42 0.00 0.26 0.00 0.00 34.13 31.77 3hwx s GLU 202 CO 0.00 -0.47 1.20 0.00 -0.54 0.00 0.00 175.26 175.45 3hwx n ALA 203 N 4.50 2.21 -1.77 6.30 0.00 -1.26 -3.60 120.51 126.89 3hwx n ALA 203 Ca -0.16 -2.05 -0.39 0.00 0.00 0.00 0.00 53.44 50.85 3hwx n ALA 203 Cb 0.44 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.23 4.00 0.25 0.00 0.04 -1.26 -4.99 135.00 131.80 3hwx s PRO 204 Ca 0.24 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 3hwx s PRO 204 Cb 0.42 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3hwx s PRO 204 CO -0.04 -0.40 0.87 1.03 0.04 0.00 0.00 177.00 178.50 3hwx s ARG 205 N -2.29 4.63 -0.24 4.56 0.52 -1.26 -4.93 118.95 119.93 3hwx s ARG 205 Ca 0.57 1.28 -0.08 0.00 -0.52 0.00 0.00 55.73 56.99 3hwx s ARG 205 Cb -0.33 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 3hwx s ARG 205 CO 0.42 0.44 0.08 -1.17 0.02 0.00 0.00 175.30 175.09 3hwx s LEU 206 N -1.55 3.55 -0.07 2.53 2.96 -1.26 -5.10 118.68 119.74 3hwx s LEU 206 Ca 0.43 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 54.04 3hwx s LEU 206 Cb -0.22 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.56 3hwx s LEU 206 CO 0.27 -0.00 0.37 -0.70 -1.32 0.00 0.00 176.35 174.97 3hwx s GLU 207 N 1.42 0.62 0.23 1.98 2.12 -1.26 -4.79 118.70 119.02 3hwx s GLU 207 Ca 0.06 0.12 -0.17 0.00 0.36 0.00 0.00 54.97 55.34 3hwx s GLU 207 Cb -0.15 0.29 -0.08 0.00 0.26 0.00 0.00 34.13 34.45 3hwx s GLU 207 CO 0.04 -0.15 0.69 -1.12 -0.54 0.00 0.00 175.26 174.18 3hwx s SER 208 N -0.74 6.93 0.39 -1.70 0.01 0.29 -4.97 113.70 113.92 3hwx s SER 208 Ca -0.08 1.30 -0.26 0.00 1.31 0.00 0.00 55.95 58.22 3hwx s SER 208 Cb -0.04 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 3hwx s SER 208 CO 0.03 -0.01 1.20 -1.61 0.41 0.00 0.00 173.24 173.27 3hwx s GLU 209 N -2.22 4.07 -0.28 12.44 2.02 -1.26 -4.91 118.70 128.56 3hwx s GLU 209 Ca 0.44 1.92 -0.26 0.00 0.02 0.00 0.00 54.97 57.10 3hwx s GLU 209 Cb -0.15 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.24 3hwx s GLU 209 CO 0.20 -0.33 0.90 1.17 0.02 0.00 0.00 175.26 177.22 3hwx n LYS 210 N 0.16 0.00 -2.09 1.61 4.81 -1.26 -4.86 118.16 116.54 3hwx n LYS 210 Ca 0.04 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.05 3hwx n LYS 210 Cb 0.46 -0.83 -0.03 0.00 0.02 0.00 0.00 35.03 34.65 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 1.74 3.45 0.25 1.64 -1.52 -1.26 -4.89 119.66 119.07 3hwx s GLN 211 Ca 0.59 1.36 0.22 0.00 -1.95 0.00 0.00 55.36 55.57 3hwx s GLN 211 Cb -0.83 -4.14 0.98 0.00 -0.22 0.00 0.00 33.01 28.79 3hwx s GLN 211 CO 0.45 -1.71 1.66 0.54 -0.25 0.00 0.00 175.29 175.98 3hwx n ARG 212 N 8.25 0.16 -0.32 2.91 1.74 -1.26 -2.63 116.66 125.52 3hwx n ARG 212 Ca 0.21 0.47 0.08 0.00 -0.77 0.00 0.00 57.85 57.83 3hwx n ARG 212 Cb 0.47 -1.86 0.17 0.00 -1.02 0.00 0.00 32.46 30.22 3hwx n ARG 212 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hwx n ASP 213 N -2.18 2.15 -0.18 0.55 5.75 -1.26 -4.60 116.55 116.78 3hwx n ASP 213 Ca 0.01 -3.44 -0.04 0.00 -0.01 0.00 0.00 54.79 51.31 3hwx n ASP 213 Cb 0.17 -0.48 0.15 0.00 -1.03 0.00 0.00 41.12 39.93 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 0.50 0.97 -0.07 2.11 -0.00 -1.92 -2.75 115.95 114.79 3hwx h TRP 214 Ca 0.01 -0.09 -0.10 0.00 -0.00 0.00 0.00 58.89 58.71 3hwx h TRP 214 Cb 1.04 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.90 3hwx h TRP 214 CO 0.36 0.80 -0.40 0.74 -0.00 0.00 0.00 178.44 179.93 3hwx h PHE 215 N 0.91 0.16 -0.32 2.65 -1.00 -1.85 0.24 116.94 117.73 3hwx h PHE 215 Ca 0.20 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 3hwx h PHE 215 Cb 0.30 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3hwx h PHE 215 CO 0.02 0.53 0.05 0.35 -1.61 0.00 0.00 178.31 177.64 3hwx h PHE 216 N 0.12 0.58 0.00 -0.55 3.57 -1.87 -3.32 116.94 115.47 3hwx h PHE 216 Ca 0.01 -0.08 -0.17 0.00 3.53 0.00 0.00 57.97 61.26 3hwx h PHE 216 Cb 0.77 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3hwx h PHE 216 CO 0.01 0.62 -0.80 -1.49 -2.23 0.00 0.00 178.31 174.42 3hwx h TRP 217 N 0.37 0.00 0.00 0.41 4.06 -1.06 -3.05 115.95 116.68 3hwx h TRP 217 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 3hwx h TRP 217 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 3hwx h TRP 217 CO 0.03 0.80 0.00 2.89 -3.56 0.00 0.00 178.44 178.59 3hwx n ARG 218 N -3.38 0.04 0.06 0.49 1.85 0.77 -2.33 116.66 114.15 3hwx n ARG 218 Ca 0.00 0.29 0.12 0.00 -1.00 0.00 0.00 57.85 57.26 3hwx n ARG 218 Cb 0.83 -1.57 0.17 0.00 -1.05 0.00 0.00 32.46 30.84 3hwx n ARG 218 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3hwx n GLN 219 N -1.64 0.27 -2.42 2.89 6.02 -1.15 -4.96 117.38 116.39 3hwx n GLN 219 Ca 0.03 0.08 -0.28 0.00 -0.01 0.00 0.00 57.00 56.82 3hwx n GLN 219 Cb 0.18 -1.67 0.01 0.00 1.02 0.00 0.00 30.24 29.78 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 -3.16 3.31 -0.55 -1.09 -0.14 -0.99 -4.99 119.74 112.13 3hwx s LYS 220 Ca 0.06 0.21 -0.27 0.00 -1.36 0.00 0.00 55.97 54.62 3hwx s LYS 220 Cb 0.14 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 3hwx s LYS 220 CO 0.72 -0.45 1.92 1.03 -0.76 0.00 0.00 175.35 177.80 3hwx s ARG 221 N -4.91 2.67 0.20 1.68 0.52 -1.26 -4.90 118.95 112.96 3hwx s ARG 221 Ca 0.51 0.83 0.09 0.00 -0.52 0.00 0.00 55.73 56.64 3hwx s ARG 221 Cb -0.10 -4.38 -0.05 0.00 0.52 0.00 0.00 34.95 30.94 3hwx s ARG 221 CO 0.46 -2.66 -0.17 0.20 0.02 0.00 0.00 175.30 173.15 3hwx s GLY 222 N 8.27 1.50 -0.05 -3.53 0.00 -1.26 0.87 107.32 113.13 3hwx s GLY 222 Ca 0.73 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.86 3hwx s GLY 222 CO 0.23 -1.71 -0.21 0.14 0.00 0.00 0.00 173.10 171.55 3hwx s VAL 223 N -2.51 1.73 -0.25 1.40 1.01 -0.80 -4.18 120.40 116.80 3hwx s VAL 223 Ca 0.21 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3hwx s VAL 223 Cb -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3hwx s VAL 223 CO 0.08 0.49 0.07 -0.69 0.00 0.00 0.00 175.10 175.06 3hwx s VAL 224 N -0.10 4.38 -0.19 2.92 1.01 -1.09 -0.11 120.40 127.22 3hwx s VAL 224 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3hwx s VAL 224 Cb -0.12 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3hwx s VAL 224 CO 0.03 0.34 -0.04 -0.69 0.00 0.00 0.00 175.10 174.74 3hwx s VAL 225 N 1.54 3.62 -0.27 2.92 1.01 -0.88 -0.71 120.40 127.64 3hwx s VAL 225 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3hwx s VAL 225 Cb -0.15 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.67 3hwx s VAL 225 CO 0.04 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 3hwx s ALA 226 N 1.02 2.60 0.00 5.51 0.00 -0.17 -0.57 121.76 130.16 3hwx s ALA 226 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.13 3hwx s ALA 226 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3hwx s ALA 226 CO 0.01 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3hwx n GLY 227 N 4.42 1.54 3.68 0.00 0.00 0.41 -0.72 105.19 114.51 3hwx n GLY 227 Ca -0.12 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 4.49 4.30 0.37 1.61 3.52 -0.13 -3.15 118.95 129.96 3hwx s ARG 228 Ca 0.00 1.72 -0.11 0.00 -0.13 0.00 0.00 55.73 57.21 3hwx s ARG 228 Cb 0.00 -3.64 0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3hwx s ARG 228 CO 0.00 -0.56 0.69 0.00 -0.81 0.00 0.00 175.30 174.61 3hwx s MET 229 N 2.73 2.13 0.30 5.12 0.23 -1.19 -4.04 119.30 124.58 3hwx s MET 229 Ca 0.57 -1.54 -0.27 0.00 -1.03 0.00 0.00 55.69 53.42 3hwx s MET 229 Cb -0.25 0.57 -0.10 0.00 -1.53 0.00 0.00 34.83 33.52 3hwx s MET 229 CO 0.20 -0.96 0.95 -1.54 -2.03 0.00 0.00 175.02 171.63 3hwx s SER 230 N -3.12 7.41 0.07 -1.18 1.04 -1.26 -4.73 113.70 111.93 3hwx s SER 230 Ca 0.20 1.87 -0.08 0.00 0.48 0.00 0.00 55.95 58.43 3hwx s SER 230 Cb -0.04 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.55 3hwx s SER 230 CO 0.14 -0.02 0.54 0.00 0.98 0.00 0.00 173.24 174.89 3hwx n ALA 231 N 0.79 -0.10 0.06 5.32 0.00 -1.26 -0.31 120.51 125.02 3hwx n ALA 231 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hwx n ALA 231 Cb 0.49 -0.12 0.32 0.00 0.00 0.00 0.00 19.45 20.14 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 0.36 -0.35 0.00 4.39 -1.93 -2.68 114.58 114.38 3hwx h GLU 232 Ca 0.10 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 3hwx h GLU 232 Cb 0.19 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3hwx h GLU 232 CO -0.34 0.50 -0.43 0.93 -1.16 0.00 0.00 179.01 178.51 3hwx h GLU 233 N 0.34 0.92 -0.03 2.33 5.08 -1.03 -1.48 114.58 120.71 3hwx h GLU 233 Ca 0.07 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3hwx h GLU 233 Cb 0.45 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hwx h GLU 233 CO 0.03 1.16 0.03 0.78 -1.00 0.00 0.00 179.01 180.01 3hwx h GLY 234 N 0.73 0.00 1.18 -3.84 0.00 -1.13 0.71 103.07 100.71 3hwx h GLY 234 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 3hwx h GLY 234 CO 0.10 0.00 -0.95 0.50 0.00 0.00 0.00 176.54 176.20 3hwx h LYS 235 N 0.00 0.73 0.00 4.80 1.57 -1.40 -2.92 116.57 119.35 3hwx h LYS 235 Ca 0.02 -0.72 -0.05 0.00 -1.87 0.00 0.00 60.65 58.03 3hwx h LYS 235 Cb 0.08 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hwx h LYS 235 CO -0.00 1.30 -0.24 0.87 -0.57 0.00 0.00 179.45 180.81 3hwx h LYS 236 N 0.43 0.00 0.00 3.15 1.57 0.08 -3.15 116.57 118.65 3hwx h LYS 236 Ca -0.10 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 3hwx h LYS 236 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 3hwx h LYS 236 CO 0.19 0.24 -1.49 0.28 -0.57 0.00 0.00 179.45 178.10 3hwx n VAL 237 N -3.48 0.97 -0.01 0.50 0.31 0.23 -2.18 118.33 114.67 3hwx n VAL 237 Ca -0.00 -0.66 -0.11 0.00 -0.01 0.00 0.00 64.34 63.55 3hwx n VAL 237 Cb 0.41 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.72 3hwx n VAL 237 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hwx h ALA 238 N 1.56 0.12 -0.48 3.52 0.00 -1.53 -1.88 119.26 120.57 3hwx h ALA 238 Ca -0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3hwx h ALA 238 Cb 1.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hwx h ALA 238 CO 0.03 -0.31 -0.13 -0.07 0.00 0.00 0.00 179.25 178.77 3hwx h LEU 239 N 0.01 0.94 -0.29 0.00 3.38 -1.61 -1.25 115.31 116.49 3hwx h LEU 239 Ca 0.03 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3hwx h LEU 239 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hwx h LEU 239 CO -0.00 1.09 0.17 -0.25 0.09 0.00 0.00 178.44 179.54 3hwx h TRP 240 N 0.78 0.38 -0.67 1.13 7.01 -1.39 -1.68 115.95 121.52 3hwx h TRP 240 Ca 0.12 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 3hwx h TRP 240 Cb 0.68 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 3hwx h TRP 240 CO 0.05 0.29 0.21 0.00 -2.79 0.00 0.00 178.44 176.20 3hwx h ALA 241 N 1.06 0.87 0.57 2.65 0.00 -1.32 -2.50 119.26 120.59 3hwx h ALA 241 Ca 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hwx h ALA 241 Cb 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hwx h ALA 241 CO -0.02 0.54 -0.27 0.37 0.00 0.00 0.00 179.25 179.87 3hwx h GLN 242 N 0.97 -0.74 -0.87 0.00 4.15 -0.98 0.85 115.11 118.49 3hwx h GLN 242 Ca 0.21 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.80 3hwx h GLN 242 Cb 0.29 0.17 -0.13 0.00 0.21 0.00 0.00 27.48 28.02 3hwx h GLN 242 CO -0.01 -0.49 -0.39 2.41 -1.93 0.00 0.00 178.83 178.42 3hwx n THR 243 N -4.05 -0.50 -0.28 2.39 -1.04 -0.65 0.96 114.28 111.11 3hwx n THR 243 Ca -0.09 2.06 0.09 0.00 -2.04 0.00 0.00 64.05 64.06 3hwx n THR 243 Cb 0.30 -2.67 0.33 0.00 -1.82 0.00 0.00 70.33 66.47 3hwx n THR 243 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hwx h LEU 244 N 0.00 0.75 -0.23 -4.42 3.38 -1.25 -2.81 115.31 110.72 3hwx h LEU 244 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3hwx h LEU 244 Cb 0.47 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hwx h LEU 244 CO -0.85 0.42 0.00 0.61 0.09 0.00 0.00 178.44 178.71 3hwx n GLY 245 N -1.41 0.95 3.83 0.83 0.00 0.27 -4.10 105.19 105.56 3hwx n GLY 245 Ca 0.16 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.23 3.49 0.30 1.61 0.52 -0.81 -3.04 118.94 118.77 3hwx s TRP 246 Ca 0.00 0.44 -0.30 0.00 0.02 0.00 0.00 56.10 56.26 3hwx s TRP 246 Cb 0.00 -1.91 -0.12 0.00 -1.15 0.00 0.00 33.47 30.29 3hwx s TRP 246 CO 0.00 0.66 1.57 -0.35 0.02 0.00 0.00 176.95 178.85 3hwx n PRO 247 N 2.09 2.66 -3.54 4.98 -0.04 -1.26 -4.60 135.00 135.28 3hwx n PRO 247 Ca -0.20 0.94 -0.41 0.00 -0.04 0.00 0.00 63.50 63.80 3hwx n PRO 247 Cb 0.55 -2.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.18 3hwx n PRO 247 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hwx s LEU 248 N -0.59 4.76 -0.72 1.53 2.96 -1.26 -2.67 118.68 122.70 3hwx s LEU 248 Ca 0.63 -0.79 -0.18 0.00 -0.22 0.00 0.00 54.13 53.56 3hwx s LEU 248 Cb -0.50 -2.10 0.13 0.00 0.50 0.00 0.00 46.19 44.22 3hwx s LEU 248 CO 0.50 -0.36 0.83 -0.63 -1.32 0.00 0.00 176.35 175.37 3hwx s ILE 249 N 1.64 4.91 -0.28 6.68 1.01 0.11 -4.16 121.20 131.11 3hwx s ILE 249 Ca 0.04 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 3hwx s ILE 249 Cb -0.19 -4.57 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 3hwx s ILE 249 CO 0.09 -1.22 0.14 -0.83 0.00 0.00 0.00 174.94 173.11 3hwx s GLY 250 N 3.38 1.85 0.87 6.18 0.00 -1.26 -1.00 107.32 117.33 3hwx s GLY 250 Ca 0.18 -1.23 -0.10 0.00 0.00 0.00 0.00 44.72 43.57 3hwx s GLY 250 CO 0.00 0.63 1.12 -0.35 0.00 0.00 0.00 173.10 174.50 3hwx s ASP 251 N 1.65 3.49 0.55 1.64 2.15 0.10 -4.81 116.67 121.45 3hwx s ASP 251 Ca 0.06 2.01 0.25 0.00 0.43 0.00 0.00 52.55 55.29 3hwx s ASP 251 Cb -0.16 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.41 3hwx s ASP 251 CO 0.07 -2.71 2.08 -0.37 -0.17 0.00 0.00 175.17 174.07 3hwx h VAL 252 N -1.60 0.69 -0.10 1.11 -1.51 -1.89 -2.61 116.25 110.34 3hwx h VAL 252 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3hwx h VAL 252 Cb 1.26 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3hwx h VAL 252 CO 0.46 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.98 3hwx n LEU 253 N -4.17 0.76 -0.01 4.19 4.32 -1.26 -4.20 117.00 116.63 3hwx n LEU 253 Ca 0.03 -0.34 0.05 0.00 -0.02 0.00 0.00 56.01 55.74 3hwx n LEU 253 Cb 0.35 -0.06 -0.09 0.00 -1.62 0.00 0.00 43.42 42.00 3hwx n LEU 253 CO 0.32 0.17 -0.65 -1.54 -1.22 0.00 0.00 177.39 174.47 3hwx n SER 254 N -0.22 2.33 -1.67 -1.43 3.41 -0.98 -3.14 113.62 111.92 3hwx n SER 254 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 3hwx n SER 254 Cb 0.17 1.50 -0.00 0.00 -0.26 0.00 0.00 64.21 65.62 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 -1.92 -1.29 0.06 4.33 6.02 -1.26 -3.67 117.38 119.64 3hwx n GLN 255 Ca -0.03 0.69 0.12 0.00 -0.01 0.00 0.00 57.00 57.77 3hwx n GLN 255 Cb 0.32 -4.98 0.19 0.00 1.02 0.00 0.00 30.24 26.79 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 -4.02 0.34 0.00 5.09 -2.24 -1.25 0.13 114.28 112.33 3hwx n THR 256 Ca -0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hwx n THR 256 Cb 0.63 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.35 2.00 3.38 3.38 0.00 -1.25 -4.45 105.19 109.59 3hwx n GLY 257 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 -1.96 0.00 1.61 6.02 -1.26 -4.57 117.38 115.22 3hwx n GLN 258 Ca 0.00 1.51 0.06 0.00 -0.01 0.00 0.00 57.00 58.56 3hwx n GLN 258 Cb 0.00 -3.08 0.28 0.00 1.02 0.00 0.00 30.24 28.46 3hwx n GLN 258 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3hwx n PRO 259 N -0.59 0.08 -3.20 -1.09 -0.04 -1.26 -3.49 135.00 125.41 3hwx n PRO 259 Ca -0.07 0.24 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 3hwx n PRO 259 Cb 0.63 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 3hwx n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hwx n LEU 260 N -1.40 3.37 -4.57 1.53 4.77 -1.26 -5.00 117.00 114.44 3hwx n LEU 260 Ca 0.04 -5.41 -0.34 0.00 -0.03 0.00 0.00 56.01 50.26 3hwx n LEU 260 Cb 0.12 -0.36 0.10 0.00 -2.33 0.00 0.00 43.42 40.96 3hwx n LEU 260 CO 0.10 2.19 0.38 -0.81 -1.33 0.00 0.00 177.39 177.92 3hwx n PRO 261 N 0.46 0.17 -2.23 3.23 -0.04 -1.23 -3.64 135.00 131.72 3hwx n PRO 261 Ca 0.29 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 3hwx n PRO 261 Cb 0.44 -2.13 -0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3hwx n PRO 261 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwx h ALA 263 N 0.53 2.56 0.00 0.00 0.00 -1.81 0.89 119.26 121.42 3hwx h ALA 263 Ca -0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3hwx h ALA 263 Cb 1.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hwx h ALA 263 CO 0.31 -0.88 -0.08 0.22 0.00 0.00 0.00 179.25 178.82 3hwx h ASP 264 N 0.22 0.00 0.00 0.00 3.58 -1.84 -1.77 116.42 116.60 3hwx h ASP 264 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 3hwx h ASP 264 Cb 1.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.67 3hwx h ASP 264 CO -0.13 0.08 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.19 3hwx h LEU 265 N 0.00 0.00 -2.00 2.28 3.38 0.48 -3.41 115.31 116.04 3hwx h LEU 265 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hwx h LEU 265 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hwx h LEU 265 CO 0.01 0.19 0.10 4.11 0.09 0.00 0.00 178.44 182.94 3hwx h TRP 266 N -0.33 0.00 0.00 1.13 5.08 -1.24 -0.96 115.95 119.63 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 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 3hwx h TRP 266 CO -0.02 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.42 3hwx n LEU 267 N -4.49 0.58 -0.86 0.11 4.77 -0.67 -0.61 117.00 115.83 3hwx n LEU 267 Ca 0.00 0.74 0.10 0.00 -0.03 0.00 0.00 56.01 56.82 3hwx n LEU 267 Cb 0.23 -0.77 0.28 0.00 -2.33 0.00 0.00 43.42 40.83 3hwx n LEU 267 CO 0.35 -0.85 0.73 0.61 -1.33 0.00 0.00 177.39 176.89 3hwx n GLY 268 N -0.99 1.05 3.71 -0.72 0.00 -0.36 -4.67 105.19 103.21 3hwx n GLY 268 Ca -0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.40 6.60 0.55 1.61 3.84 0.22 -4.67 114.94 121.69 3hwx s ASN 269 Ca 0.35 0.71 0.27 0.00 0.21 0.00 0.00 52.86 54.39 3hwx s ASN 269 Cb 0.19 -2.26 1.58 0.00 -0.55 0.00 0.00 41.25 40.22 3hwx s ASN 269 CO 0.27 0.01 2.16 0.00 -2.79 0.00 0.00 177.10 176.74 3hwx h ALA 270 N 6.81 1.46 -0.51 1.71 0.00 -1.87 -0.69 119.26 126.17 3hwx h ALA 270 Ca -0.40 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3hwx h ALA 270 Cb 1.17 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3hwx h ALA 270 CO 0.75 0.08 0.27 0.87 0.00 0.00 0.00 179.25 181.22 3hwx h LYS 271 N 0.00 0.51 -0.06 0.00 6.56 -1.92 -1.29 116.57 120.36 3hwx h LYS 271 Ca -0.00 -0.03 -0.21 0.00 -1.06 0.00 0.00 60.65 59.34 3hwx h LYS 271 Cb 0.16 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 31.72 3hwx h LYS 271 CO 0.01 0.34 -0.80 0.00 -2.06 0.00 0.00 179.45 176.93 3hwx h ALA 272 N 1.27 0.18 -0.38 3.86 0.00 -1.40 -2.92 119.26 119.87 3hwx h ALA 272 Ca 0.22 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3hwx h ALA 272 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hwx h ALA 272 CO -0.15 0.57 -0.18 1.79 0.00 0.00 0.00 179.25 181.28 3hwx h THR 273 N 0.30 1.28 -0.85 0.00 1.35 -1.36 -0.64 112.91 112.99 3hwx h THR 273 Ca -0.08 -1.31 0.08 0.00 -0.55 0.00 0.00 66.41 64.54 3hwx h THR 273 Cb 1.46 1.32 -0.10 0.00 -1.73 0.00 0.00 68.15 69.09 3hwx h THR 273 CO 0.16 0.44 -0.50 -1.20 -0.25 0.00 0.00 175.52 174.16 3hwx n SER 274 N -4.27 -0.90 -0.08 5.36 7.64 -0.50 -1.34 113.62 119.53 3hwx n SER 274 Ca -0.02 1.57 -0.09 0.00 1.01 0.00 0.00 58.87 61.34 3hwx n SER 274 Cb 0.42 -0.22 0.06 0.00 -1.01 0.00 0.00 64.21 63.45 3hwx n SER 274 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3hwx h GLU 275 N 0.00 0.78 0.00 1.43 4.81 -1.26 -1.64 114.58 118.70 3hwx h GLU 275 Ca 0.14 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3hwx h GLU 275 Cb 0.35 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3hwx h GLU 275 CO -0.80 0.98 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.35 3hwx h LEU 276 N 0.66 0.00 0.00 1.64 3.38 -0.84 -2.61 115.31 117.54 3hwx h LEU 276 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hwx h LEU 276 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hwx h LEU 276 CO 0.07 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3hwx n GLN 277 N -3.30 0.38 0.10 1.13 6.02 -0.45 -2.64 117.38 118.62 3hwx n GLN 277 Ca -0.02 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.16 3hwx n GLN 277 Cb 0.19 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.07 3hwx n GLN 277 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3hwx h GLN 278 N 0.00 0.00 -6.77 -1.09 4.20 -1.54 -3.48 115.11 106.43 3hwx h GLN 278 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3hwx h GLN 278 Cb 0.15 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.97 3hwx h GLN 278 CO 0.00 0.00 0.61 0.00 -0.67 0.00 0.00 178.83 178.77 3hwx s ALA 279 N -3.24 3.49 -0.18 3.87 0.00 -1.08 -4.86 121.76 119.75 3hwx s ALA 279 Ca 0.04 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.92 3hwx s ALA 279 Cb 0.11 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.57 3hwx s ALA 279 CO 0.73 -0.49 0.29 1.96 0.00 0.00 0.00 175.76 178.25 3hwx h GLN 280 N 4.45 0.06 -6.80 0.00 4.20 0.13 -3.42 115.11 113.72 3hwx h GLN 280 Ca -0.46 -0.09 -0.67 0.00 0.06 0.00 0.00 58.65 57.48 3hwx h GLN 280 Cb 1.22 0.04 -0.22 0.00 0.30 0.00 0.00 27.48 28.81 3hwx h GLN 280 CO 0.71 1.05 -0.86 -1.50 -0.67 0.00 0.00 178.83 177.56 3hwx s ILE 281 N -2.39 2.19 -0.10 2.54 2.07 -1.22 -0.50 121.20 123.78 3hwx s ILE 281 Ca -0.27 -1.74 0.01 0.00 -1.41 0.00 0.00 60.65 57.24 3hwx s ILE 281 Cb 0.05 -1.94 0.02 0.00 0.13 0.00 0.00 42.46 40.72 3hwx s ILE 281 CO 0.63 0.07 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.93 3hwx s VAL 282 N -1.09 1.21 -0.39 4.00 1.01 -0.83 -1.90 120.40 122.40 3hwx s VAL 282 Ca 0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3hwx s VAL 282 Cb -0.10 -1.15 0.09 0.00 0.00 0.00 0.00 36.38 35.22 3hwx s VAL 282 CO 0.06 0.39 0.19 -0.69 0.00 0.00 0.00 175.10 175.04 3hwx s VAL 283 N 1.21 3.46 -0.19 2.92 1.01 0.85 -0.55 120.40 129.11 3hwx s VAL 283 Ca -0.03 -1.81 -0.10 0.00 0.00 0.00 0.00 61.98 60.04 3hwx s VAL 283 Cb -0.14 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3hwx s VAL 283 CO -0.03 -0.56 0.13 -1.58 0.00 0.00 0.00 175.10 173.05 3hwx s GLN 284 N 1.22 4.13 -0.16 2.72 0.74 0.57 -2.07 119.66 126.81 3hwx s GLN 284 Ca 0.05 -0.22 0.02 0.00 0.05 0.00 0.00 55.36 55.25 3hwx s GLN 284 Cb -0.22 -3.39 0.02 0.00 1.10 0.00 0.00 33.01 30.51 3hwx s GLN 284 CO -0.02 0.32 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.33 3hwx s LEU 285 N 0.28 2.08 0.00 3.68 1.43 0.27 -0.14 118.68 126.28 3hwx s LEU 285 Ca 0.08 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3hwx s LEU 285 Cb -0.11 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3hwx s LEU 285 CO -0.02 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3hwx n GLY 286 N 4.40 -1.10 0.00 -3.19 0.00 0.75 -0.45 105.19 105.61 3hwx n GLY 286 Ca -0.20 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.41 0.00 -2.34 1.61 3.41 -1.26 -4.40 113.62 109.23 3hwx n SER 287 Ca 0.00 -0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 57.97 3hwx n SER 287 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.42 -3.89 -4.68 4.04 7.64 -1.26 -0.95 113.62 113.09 3hwx n SER 288 Ca 0.00 -0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.11 3hwx n SER 288 Cb 0.00 -2.85 -0.03 0.00 -1.01 0.00 0.00 64.21 60.32 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 -4.19 4.32 0.00 -3.43 2.01 -1.26 -4.72 118.68 111.41 3hwx s LEU 289 Ca 0.19 2.19 0.00 0.00 0.01 0.00 0.00 54.13 56.52 3hwx s LEU 289 Cb -0.02 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.62 3hwx s LEU 289 CO 0.37 -0.81 0.76 0.41 1.01 0.00 0.00 176.35 178.09 3hwx n THR 290 N 4.92 0.00 -1.69 5.49 -1.04 -1.26 -4.89 114.28 115.82 3hwx n THR 290 Ca 0.15 1.26 -0.43 0.00 -2.04 0.00 0.00 64.05 62.99 3hwx n THR 290 Cb 0.43 -2.21 -0.01 0.00 -1.82 0.00 0.00 70.33 66.71 3hwx n THR 290 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hwx n GLY 291 N -0.78 0.61 0.08 3.41 0.00 -1.26 -4.90 105.19 102.34 3hwx n GLY 291 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 2.83 0.11 -0.42 1.61 3.64 -1.94 -2.39 116.57 120.01 3hwx h LYS 292 Ca -0.46 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 3hwx h LYS 292 Cb 1.28 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3hwx h LYS 292 CO 0.65 0.07 0.12 0.00 -2.27 0.00 0.00 179.45 178.03 3hwx h ARG 293 N 0.12 0.61 -0.04 1.90 -0.00 -1.91 0.19 114.38 115.25 3hwx h ARG 293 Ca 0.05 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.98 59.37 3hwx h ARG 293 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 29.88 3hwx h ARG 293 CO -0.04 0.55 -0.21 1.25 0.00 0.00 0.00 179.97 181.52 3hwx h LEU 294 N 0.61 0.25 -2.19 3.04 5.85 -1.85 0.24 115.31 121.26 3hwx h LEU 294 Ca 0.14 -0.67 0.03 0.00 0.84 0.00 0.00 57.88 58.22 3hwx h LEU 294 Cb 0.20 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hwx h LEU 294 CO -0.01 0.88 0.08 -0.07 -0.34 0.00 0.00 178.44 178.98 3hwx h LEU 295 N -0.36 0.00 0.16 2.25 3.38 -0.86 0.55 115.31 120.42 3hwx h LEU 295 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3hwx h LEU 295 Cb 0.88 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.65 3hwx h LEU 295 CO 0.04 0.00 -0.97 -0.61 0.09 0.00 0.00 178.44 176.99 3hwx h GLN 296 N 0.00 0.34 -0.15 1.13 4.15 -0.87 -1.08 115.11 118.63 3hwx h GLN 296 Ca 0.04 -0.58 -0.10 0.00 0.77 0.00 0.00 58.65 58.79 3hwx h GLN 296 Cb 0.21 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3hwx h GLN 296 CO -0.00 1.28 -0.33 2.35 -1.93 0.00 0.00 178.83 180.19 3hwx h TRP 297 N -0.28 0.34 -0.18 3.99 7.01 -0.08 -2.51 115.95 124.25 3hwx h TRP 297 Ca -0.17 -0.08 -0.21 0.00 2.11 0.00 0.00 58.89 60.54 3hwx h TRP 297 Cb 1.75 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 28.73 3hwx h TRP 297 CO 0.18 0.61 -0.71 0.37 -2.79 0.00 0.00 178.44 176.09 3hwx h GLN 298 N 0.26 0.76 0.00 2.65 -0.00 0.10 0.46 115.11 119.33 3hwx h GLN 298 Ca 0.03 -0.58 0.00 0.00 -0.00 0.00 0.00 58.65 58.10 3hwx h GLN 298 Cb 0.72 0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.31 3hwx h GLN 298 CO 0.05 1.20 -0.01 0.00 0.00 0.00 0.00 178.83 180.07 3hwx n ALA 299 N -2.58 2.33 0.20 3.38 0.00 -0.41 -3.45 120.51 119.97 3hwx n ALA 299 Ca -0.06 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3hwx n ALA 299 Cb 0.71 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3hwx n ALA 299 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hwx n SER 300 N -1.68 1.61 -4.74 0.00 3.41 -0.96 -4.93 113.62 106.32 3hwx n SER 300 Ca 0.07 -0.38 -0.36 0.00 -0.26 0.00 0.00 58.87 57.94 3hwx n SER 300 Cb 0.36 1.16 0.05 0.00 -0.26 0.00 0.00 64.21 65.53 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 -1.88 1.35 -2.15 0.00 1.02 -1.26 -5.00 120.64 112.72 3hwx n GLU 302 Ca 0.14 -3.65 -0.27 0.00 -0.02 0.00 0.00 57.16 53.36 3hwx n GLU 302 Cb 0.49 -1.71 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.30 2.53 0.34 3.49 0.04 -1.26 -4.96 135.00 132.88 3hwx s PRO 303 Ca 0.40 0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.56 3hwx s PRO 303 Cb 0.28 -2.14 0.63 0.00 0.04 0.00 0.00 34.50 33.32 3hwx s PRO 303 CO -0.09 -1.08 1.80 0.93 0.04 0.00 0.00 177.00 178.60 3hwx h GLU 304 N -0.55 0.18 -3.16 4.56 5.08 -1.06 -3.43 114.58 116.21 3hwx h GLU 304 Ca -0.45 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 57.62 3hwx h GLU 304 Cb 1.29 -0.01 -0.31 0.00 0.50 0.00 0.00 28.75 30.21 3hwx h GLU 304 CO 0.62 0.48 -0.55 -1.21 -1.00 0.00 0.00 179.01 177.35 3hwx s GLU 305 N -4.36 0.14 -0.16 2.33 2.02 -1.18 -4.73 118.70 112.76 3hwx s GLU 305 Ca -0.04 0.44 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 3hwx s GLU 305 Cb 0.14 -0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.21 3hwx s GLU 305 CO 0.75 -0.16 -0.13 -0.47 0.02 0.00 0.00 175.26 175.26 3hwx s TYR 306 N 1.21 2.82 -0.09 1.61 6.14 -0.97 -1.96 117.35 126.10 3hwx s TYR 306 Ca -0.09 -0.98 0.03 0.00 0.64 0.00 0.00 57.07 56.67 3hwx s TYR 306 Cb -0.11 -1.92 -0.01 0.00 0.42 0.00 0.00 41.96 40.34 3hwx s TYR 306 CO -0.07 -0.46 -0.21 -1.58 0.64 0.00 0.00 175.55 173.88 3hwx s TRP 307 N 0.88 2.61 -0.20 4.97 0.52 0.29 -1.17 118.94 126.82 3hwx s TRP 307 Ca -0.04 -0.78 0.01 0.00 0.02 0.00 0.00 56.10 55.32 3hwx s TRP 307 Cb -0.15 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3hwx s TRP 307 CO -0.01 -0.26 -0.14 0.42 0.02 0.00 0.00 176.95 176.98 3hwx s ILE 308 N 0.12 1.94 -0.21 2.03 1.01 -0.75 -0.31 121.20 125.03 3hwx s ILE 308 Ca -0.10 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.37 3hwx s ILE 308 Cb -0.16 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3hwx s ILE 308 CO 0.06 0.27 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 3hwx s VAL 309 N 1.28 3.93 0.00 2.92 1.01 0.80 -0.86 120.40 129.48 3hwx s VAL 309 Ca -0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3hwx s VAL 309 Cb -0.16 -2.79 0.10 0.00 0.00 0.00 0.00 36.38 33.53 3hwx s VAL 309 CO -0.09 0.41 0.91 -0.62 0.00 0.00 0.00 175.10 175.71 3hwx s ASP 310 N 1.19 -0.34 0.00 3.32 -1.08 -1.00 -0.18 116.67 118.59 3hwx s ASP 310 Ca 0.03 -0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.26 3hwx s ASP 310 Cb -0.14 0.38 0.61 0.00 -1.46 0.00 0.00 42.92 42.31 3hwx s ASP 310 CO 0.01 -0.63 1.49 -0.67 0.52 0.00 0.00 175.17 175.89 3hwx n ASP 311 N -0.26 2.37 -4.89 -0.34 -0.08 -1.14 -1.48 116.55 110.74 3hwx n ASP 311 Ca -0.08 -1.80 -0.32 0.00 -1.51 0.00 0.00 54.79 51.08 3hwx n ASP 311 Cb 0.62 -0.11 -0.05 0.00 2.34 0.00 0.00 41.12 43.92 3hwx n ASP 311 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3hwx s ILE 312 N -1.78 5.25 0.77 5.18 -4.36 -1.26 -4.73 121.20 120.27 3hwx s ILE 312 Ca 0.34 -0.35 -0.12 0.00 -0.26 0.00 0.00 60.65 60.26 3hwx s ILE 312 Cb 0.20 -3.51 0.05 0.00 1.25 0.00 0.00 42.46 40.46 3hwx s ILE 312 CO 0.30 0.22 1.14 -1.61 0.24 0.00 0.00 174.94 175.23 3hwx s GLU 313 N -2.23 2.31 0.02 0.37 2.02 -1.26 -4.90 118.70 115.04 3hwx s GLU 313 Ca 0.31 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.53 3hwx s GLU 313 Cb -0.13 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3hwx s GLU 313 CO 0.23 -1.37 0.00 0.41 0.02 0.00 0.00 175.26 174.55 3hwx n GLY 314 N -3.19 -2.36 3.70 -1.39 0.00 -1.26 -4.94 105.19 95.76 3hwx n GLY 314 Ca 0.08 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3hwx n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwx n ARG 315 N -2.31 2.18 0.00 1.61 1.74 -1.26 -4.91 116.66 113.72 3hwx n ARG 315 Ca -0.00 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3hwx n ARG 315 Cb 0.03 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 3hwx n ARG 315 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hwx n LEU 316 N 1.28 0.38 -4.36 0.55 4.77 -1.26 -4.94 117.00 113.42 3hwx n LEU 316 Ca 0.07 -0.38 -0.44 0.00 -0.03 0.00 0.00 56.01 55.23 3hwx n LEU 316 Cb 0.35 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3hwx n LEU 316 CO 0.63 0.09 0.03 -0.62 -1.33 0.00 0.00 177.39 176.19 3hwx s ASP 317 N -0.03 6.08 0.35 -1.43 2.15 -1.26 -4.92 116.67 117.62 3hwx s ASP 317 Ca 0.00 -1.41 0.26 0.00 0.43 0.00 0.00 52.55 51.83 3hwx s ASP 317 Cb 0.00 -2.16 1.22 0.00 -0.30 0.00 0.00 42.92 41.68 3hwx s ASP 317 CO 0.00 -0.66 1.79 1.55 -0.17 0.00 0.00 175.17 177.68 3hwx h PRO 318 N 8.72 0.00 -0.02 4.34 0.13 -1.99 -2.48 132.00 140.70 3hwx h PRO 318 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hwx h PRO 318 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hwx h PRO 318 CO 0.88 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.43 3hwx n ALA 319 N -1.84 2.99 -3.69 -0.56 0.00 -1.26 -5.01 120.51 111.14 3hwx n ALA 319 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 3hwx n ALA 319 Cb 0.16 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 0.60 -2.41 -1.73 0.00 -0.00 -0.93 -4.96 115.22 105.79 3hwx n HIS 320 Ca 0.12 0.94 -0.41 0.00 -0.00 0.00 0.00 57.72 58.36 3hwx n HIS 320 Cb 0.52 -4.60 0.00 0.00 -0.00 0.00 0.00 29.99 25.91 3hwx n HIS 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3hwx n HIS 321 N -4.62 2.49 -1.68 4.41 8.25 -1.26 -4.97 115.22 117.84 3hwx n HIS 321 Ca -0.09 0.49 -0.44 0.00 -0.26 0.00 0.00 57.72 57.42 3hwx n HIS 321 Cb 0.59 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 29.24 3hwx n HIS 321 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3hwx n ARG 322 N 0.27 2.05 0.00 -0.41 0.63 -1.26 -4.81 116.66 113.13 3hwx n ARG 322 Ca 0.04 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3hwx n ARG 322 Cb 0.39 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 30.95 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 1.58 0.09 3.17 5.14 0.00 -1.26 -2.28 105.19 111.63 3hwx n GLY 323 Ca 0.09 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 1.06 -0.33 1.61 0.52 -0.32 -4.93 118.95 114.56 3hwx s ARG 324 Ca 0.00 -0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3hwx s ARG 324 Cb 0.00 -1.10 0.07 0.00 0.52 0.00 0.00 34.95 34.44 3hwx s ARG 324 CO 0.00 0.27 0.06 0.50 0.02 0.00 0.00 175.30 176.15 3hwx s ARG 325 N -1.13 2.28 -0.33 3.54 6.06 -1.26 -1.80 118.95 126.31 3hwx s ARG 325 Ca 0.03 -1.43 -0.06 0.00 -2.50 0.00 0.00 55.73 51.77 3hwx s ARG 325 Cb -0.08 -3.30 0.04 0.00 0.06 0.00 0.00 34.95 31.67 3hwx s ARG 325 CO 0.01 -0.75 0.09 -0.51 -2.50 0.00 0.00 175.30 171.64 3hwx s LEU 326 N 1.21 4.28 -0.29 -0.88 1.43 -0.04 -5.00 118.68 119.38 3hwx s LEU 326 Ca -0.01 -1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 51.71 3hwx s LEU 326 Cb -0.20 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3hwx s LEU 326 CO -0.02 -0.32 0.72 -0.63 0.23 0.00 0.00 176.35 176.33 3hwx s ILE 327 N 1.39 4.86 -0.29 -0.59 1.09 -1.26 -2.39 121.20 124.02 3hwx s ILE 327 Ca -0.02 1.11 -0.28 0.00 -1.10 0.00 0.00 60.65 60.36 3hwx s ILE 327 Cb -0.20 -4.07 0.19 0.00 -1.06 0.00 0.00 42.46 37.32 3hwx s ILE 327 CO 0.02 -0.17 1.37 0.00 -0.10 0.00 0.00 174.94 176.07 3hwx s ALA 328 N 2.79 -2.14 -0.24 9.38 0.00 -0.55 -0.55 121.76 130.44 3hwx s ALA 328 Ca 0.30 1.83 -0.31 0.00 0.00 0.00 0.00 51.96 53.77 3hwx s ALA 328 Cb -0.15 -1.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.32 3hwx s ALA 328 CO 0.11 -0.20 2.17 -1.71 0.00 0.00 0.00 175.76 176.13 3hwx n ASN 329 N 0.82 2.89 -0.35 0.00 2.85 -1.26 -2.86 115.26 117.35 3hwx n ASN 329 Ca -0.03 0.38 0.08 0.00 -0.11 0.00 0.00 54.58 54.90 3hwx n ASN 329 Cb 0.58 -1.43 0.18 0.00 1.24 0.00 0.00 39.78 40.36 3hwx n ASN 329 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3hwx n ILE 330 N 7.21 -0.41 -0.05 -1.44 5.41 -1.26 -0.50 119.36 128.32 3hwx n ILE 330 Ca 0.33 2.23 -0.02 0.00 1.00 0.00 0.00 62.75 66.29 3hwx n ILE 330 Cb 0.35 -3.13 0.23 0.00 -0.71 0.00 0.00 39.64 36.38 3hwx n ILE 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hwx h ALA 331 N 1.97 1.24 -0.18 -1.39 0.00 -1.95 -1.70 119.26 117.25 3hwx h ALA 331 Ca 0.51 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3hwx h ALA 331 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hwx h ALA 331 CO -0.99 0.50 -0.03 -0.44 0.00 0.00 0.00 179.25 178.30 3hwx h ASP 332 N 0.61 0.34 -0.55 0.00 3.32 -1.18 -3.20 116.42 115.76 3hwx h ASP 332 Ca 0.13 -0.35 0.11 0.00 0.02 0.00 0.00 57.03 56.93 3hwx h ASP 332 Cb 0.39 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 39.74 3hwx h ASP 332 CO 0.01 0.61 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.74 3hwx h TRP 333 N 0.06 -0.36 -0.69 4.55 7.01 -0.87 -1.87 115.95 123.79 3hwx h TRP 333 Ca 0.05 0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.19 3hwx h TRP 333 Cb 0.46 0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 27.69 3hwx h TRP 333 CO 0.05 -0.26 0.34 -0.07 -2.79 0.00 0.00 178.44 175.71 3hwx h LEU 334 N -0.02 0.44 -0.31 0.65 3.38 -1.32 0.92 115.31 119.05 3hwx h LEU 334 Ca 0.26 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 3hwx h LEU 334 Cb 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hwx h LEU 334 CO -0.58 0.25 -0.05 -0.33 0.09 0.00 0.00 178.44 177.82 3hwx h GLU 335 N 0.58 0.58 -0.19 1.13 5.08 -1.48 -2.08 114.58 118.19 3hwx h GLU 335 Ca 0.33 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3hwx h GLU 335 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hwx h GLU 335 CO -0.26 0.75 -0.14 1.25 -1.00 0.00 0.00 179.01 179.61 3hwx h LEU 336 N 0.36 0.30 -6.60 1.33 5.85 -0.56 -3.25 115.31 112.74 3hwx h LEU 336 Ca 0.08 -0.07 -0.64 0.00 0.84 0.00 0.00 57.88 58.09 3hwx h LEU 336 Cb 0.53 -0.08 -0.40 0.00 0.37 0.00 0.00 40.66 41.08 3hwx h LEU 336 CO 0.03 0.47 -0.36 1.41 -0.34 0.00 0.00 178.44 179.65 3hwx n HIS 337 N -4.24 3.49 -1.54 1.25 8.25 0.31 -4.93 115.22 117.81 3hwx n HIS 337 Ca -0.00 -4.00 -0.30 0.00 -0.26 0.00 0.00 57.72 53.16 3hwx n HIS 337 Cb 0.29 -0.73 0.10 0.00 1.12 0.00 0.00 29.99 30.78 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 -2.18 1.88 0.46 -0.41 0.04 -0.81 -4.67 135.00 129.31 3hwx s PRO 338 Ca 0.34 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 3hwx s PRO 338 Cb 0.07 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 3hwx s PRO 338 CO -0.04 -1.75 0.70 0.00 0.04 0.00 0.00 177.00 175.94 3hwx s ALA 339 N -3.17 3.66 -0.04 8.56 0.00 -1.26 -5.06 121.76 124.45 3hwx s ALA 339 Ca 0.61 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3hwx s ALA 339 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.77 3hwx s ALA 339 CO 0.54 -0.39 0.04 -2.00 0.00 0.00 0.00 175.76 173.96 3hwx s GLU 340 N -4.60 0.04 -0.21 0.00 2.56 -1.26 -4.98 118.70 110.24 3hwx s GLU 340 Ca 0.48 0.30 -0.38 0.00 0.00 0.00 0.00 54.97 55.37 3hwx s GLU 340 Cb -0.10 -0.53 -0.14 0.00 2.00 0.00 0.00 34.13 35.36 3hwx s GLU 340 CO 0.39 -0.29 1.82 1.17 -0.56 0.00 0.00 175.26 177.79 3hwx n LYS 341 N 5.03 1.54 -3.82 4.30 3.00 -1.26 -4.35 118.16 122.60 3hwx n LYS 341 Ca -0.09 0.56 -0.12 0.00 -0.00 0.00 0.00 58.31 58.66 3hwx n LYS 341 Cb 0.50 -2.32 -0.12 0.00 0.00 0.00 0.00 35.03 33.09 3hwx n LYS 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3hwx s ARG 342 N 3.87 0.24 0.24 1.64 3.52 -1.06 -5.02 118.95 122.38 3hwx s ARG 342 Ca 0.97 0.13 -0.31 0.00 -0.13 0.00 0.00 55.73 56.39 3hwx s ARG 342 Cb -0.92 0.11 -0.12 0.00 -1.56 0.00 0.00 34.95 32.46 3hwx s ARG 342 CO 0.60 -0.04 1.66 0.94 -0.81 0.00 0.00 175.30 177.66 3hwx n GLN 343 N 2.75 2.69 -1.84 5.12 -0.06 -1.26 -4.14 117.38 120.65 3hwx n GLN 343 Ca -0.14 0.97 -0.41 0.00 -2.00 0.00 0.00 57.00 55.41 3hwx n GLN 343 Cb 0.58 -2.78 -0.01 0.00 -4.06 0.00 0.00 30.24 23.97 3hwx n GLN 343 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3hwx s PRO 344 N 0.54 4.15 0.00 3.69 0.02 -1.26 -4.83 135.00 137.30 3hwx s PRO 344 Ca 0.71 2.52 0.25 0.00 0.02 0.00 0.00 61.00 64.51 3hwx s PRO 344 Cb -0.52 -3.01 0.50 0.00 0.02 0.00 0.00 34.50 31.48 3hwx s PRO 344 CO 0.39 -0.54 1.40 -2.67 -0.33 0.00 0.00 177.00 175.25 3hwx n TRP 345 N 1.43 0.00 -3.34 6.54 4.27 -1.17 -4.89 117.44 120.29 3hwx n TRP 345 Ca 0.05 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.25 3hwx n TRP 345 Cb 0.39 -0.07 -0.09 0.00 -1.36 0.00 0.00 31.31 30.18 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 5.26 1.06 0.82 0.00 0.31 -1.26 -4.67 118.33 119.85 3hwx n VAL 347 Ca -0.07 0.29 0.13 0.00 -0.01 0.00 0.00 64.34 64.68 3hwx n VAL 347 Cb 0.50 -2.17 0.42 0.00 -0.91 0.00 0.00 33.84 31.68 3hwx n VAL 347 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hwx n GLU 348 N -4.01 0.12 -0.02 5.55 1.02 -1.26 -4.17 120.64 117.87 3hwx n GLU 348 Ca -0.05 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 3hwx n GLU 348 Cb 0.20 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 3hwx n GLU 348 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hwx h ILE 349 N 0.00 0.97 -0.87 -3.67 2.04 -1.94 -2.98 117.51 111.06 3hwx h ILE 349 Ca 0.00 -1.52 0.25 0.00 1.00 0.00 0.00 64.86 64.59 3hwx h ILE 349 Cb 0.61 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 3hwx h ILE 349 CO 0.00 0.30 0.68 -0.65 0.00 0.00 0.00 178.15 178.48 3hwx h PRO 350 N -0.94 0.00 0.10 2.37 0.11 -1.85 0.31 132.00 132.10 3hwx h PRO 350 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hwx h PRO 350 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3hwx h PRO 350 CO 0.01 0.00 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.67 3hwx h ARG 351 N 0.00 -0.13 -0.94 1.05 2.43 -1.76 -2.63 114.38 112.40 3hwx h ARG 351 Ca 0.41 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.84 3hwx h ARG 351 Cb 1.78 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 31.19 3hwx h ARG 351 CO -0.00 0.24 0.01 -0.07 -1.51 0.00 0.00 179.97 178.64 3hwx h LEU 352 N -0.97 -0.47 0.57 3.80 3.38 -1.22 0.31 115.31 120.70 3hwx h LEU 352 Ca -0.01 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3hwx h LEU 352 Cb 0.43 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3hwx h LEU 352 CO 0.02 -0.31 -0.41 0.00 0.09 0.00 0.00 178.44 177.83 3hwx h ALA 353 N 1.92 -1.17 -1.01 1.53 0.00 -0.44 -0.06 119.26 120.04 3hwx h ALA 353 Ca 0.55 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.51 3hwx h ALA 353 Cb 1.09 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 3hwx h ALA 353 CO -0.87 -1.15 0.61 1.49 0.00 0.00 0.00 179.25 179.33 3hwx h GLU 354 N -0.93 0.56 -0.47 0.00 4.57 -1.05 -0.32 114.58 116.93 3hwx h GLU 354 Ca -0.08 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 3hwx h GLU 354 Cb 0.77 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3hwx h GLU 354 CO 0.04 0.37 -0.17 1.96 -1.18 0.00 0.00 179.01 180.02 3hwx h GLN 355 N 0.57 0.92 0.11 1.92 4.20 0.06 -2.06 115.11 120.83 3hwx h GLN 355 Ca 0.62 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3hwx h GLN 355 Cb 1.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3hwx h GLN 355 CO -0.42 1.02 -0.06 0.00 -0.67 0.00 0.00 178.83 178.70 3hwx h ALA 356 N 0.99 -0.15 -1.08 3.87 0.00 0.72 -0.94 119.26 122.66 3hwx h ALA 356 Ca 0.12 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.18 3hwx h ALA 356 Cb 0.72 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 3hwx h ALA 356 CO 0.06 -0.46 0.71 1.98 0.00 0.00 0.00 179.25 181.54 3hwx h MET 357 N -0.41 0.29 -0.28 0.00 1.85 -1.43 -2.06 114.93 112.90 3hwx h MET 357 Ca -0.02 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 58.97 3hwx h MET 357 Cb 0.34 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 3hwx h MET 357 CO 0.03 0.19 -0.18 1.96 -0.40 0.00 0.00 176.91 178.51 3hwx h GLN 358 N 0.30 0.61 -0.45 0.39 4.20 -0.46 -1.92 115.11 117.78 3hwx h GLN 358 Ca 0.61 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3hwx h GLN 358 Cb 1.71 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 3hwx h GLN 358 CO -0.26 0.87 0.05 0.00 -0.67 0.00 0.00 178.83 178.81 3hwx h ALA 359 N 0.73 1.24 0.48 3.87 0.00 -0.75 -2.47 119.26 122.36 3hwx h ALA 359 Ca 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hwx h ALA 359 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hwx h ALA 359 CO 0.05 0.51 -0.23 0.28 0.00 0.00 0.00 179.25 179.86 3hwx h VAL 360 N 0.68 0.35 -0.74 0.00 2.07 -1.28 -3.27 116.25 114.05 3hwx h VAL 360 Ca 0.14 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 67.33 3hwx h VAL 360 Cb 0.35 0.50 -0.14 0.00 -1.52 0.00 0.00 31.29 30.48 3hwx h VAL 360 CO 0.01 0.06 -0.21 0.40 0.02 0.00 0.00 177.57 177.85 3hwx h ILE 361 N -1.00 0.23 -0.36 4.57 2.04 -1.20 0.17 117.51 121.96 3hwx h ILE 361 Ca -0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.90 3hwx h ILE 361 Cb 0.59 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3hwx h ILE 361 CO 0.11 0.00 0.77 0.00 0.00 0.00 0.00 178.15 179.03 3hwx h ALA 362 N 1.66 2.11 -0.25 1.87 0.00 -1.50 0.75 119.26 123.91 3hwx h ALA 362 Ca 0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3hwx h ALA 362 Cb 0.55 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3hwx h ALA 362 CO -0.77 -0.95 -0.11 0.54 0.00 0.00 0.00 179.25 177.95 3hwx n ARG 363 N -3.05 1.96 0.02 0.00 1.74 0.58 -4.72 116.66 113.19 3hwx n ARG 363 Ca 0.07 -3.08 0.14 0.00 -0.77 0.00 0.00 57.85 54.21 3hwx n ARG 363 Cb 0.90 -1.77 0.53 0.00 -1.02 0.00 0.00 32.46 31.10 3hwx n ARG 363 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3hwx n ARG 364 N -1.04 0.06 0.09 5.56 1.85 0.26 -4.22 116.66 119.21 3hwx n ARG 364 Ca 0.27 0.04 -0.08 0.00 -1.00 0.00 0.00 57.85 57.09 3hwx n ARG 364 Cb 0.93 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 3hwx n ARG 364 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3hwx h ASP 365 N 0.00 0.22 -2.83 2.89 3.32 -1.84 -3.45 116.42 114.72 3hwx h ASP 365 Ca 0.00 -0.17 -0.54 0.00 0.02 0.00 0.00 57.03 56.34 3hwx h ASP 365 Cb 0.55 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hwx h ASP 365 CO 0.00 0.97 0.89 0.00 -1.72 0.00 0.00 179.24 179.38 3hwx s ALA 366 N -3.23 3.61 -0.12 3.45 0.00 -1.26 -4.84 121.76 119.37 3hwx s ALA 366 Ca -0.02 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 3hwx s ALA 366 Cb 0.10 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3hwx s ALA 366 CO 0.82 -0.99 1.18 0.34 0.00 0.00 0.00 175.76 177.11 3hwx n PHE 367 N 5.53 0.18 -4.16 0.00 7.35 -1.26 -4.56 117.46 120.55 3hwx n PHE 367 Ca 0.14 -0.57 -0.25 0.00 -0.76 0.00 0.00 57.45 56.01 3hwx n PHE 367 Cb 0.43 -0.75 -0.07 0.00 0.35 0.00 0.00 39.48 39.44 3hwx n PHE 367 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hwx s GLY 368 N 3.55 2.39 0.17 7.13 0.00 -1.26 -4.92 107.32 114.38 3hwx s GLY 368 Ca 0.12 -1.93 -0.03 0.00 0.00 0.00 0.00 44.72 42.88 3hwx s GLY 368 CO -0.00 -1.94 1.42 1.05 0.00 0.00 0.00 173.10 173.63 3hwx h GLU 369 N 1.37 0.45 0.47 2.90 4.11 -1.95 0.22 114.58 122.15 3hwx h GLU 369 Ca -0.42 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 58.63 3hwx h GLU 369 Cb 1.26 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3hwx h GLU 369 CO 0.69 1.00 -0.33 0.00 0.07 0.00 0.00 179.01 180.45 3hwx h ALA 370 N 0.90 -0.78 -0.96 1.06 0.00 -1.93 0.54 119.26 118.09 3hwx h ALA 370 Ca -0.03 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.89 3hwx h ALA 370 Cb 1.30 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 3hwx h ALA 370 CO 0.13 -0.96 0.61 1.96 0.00 0.00 0.00 179.25 180.98 3hwx h GLN 371 N -0.77 0.75 -0.43 0.00 7.50 -1.70 0.40 115.11 120.85 3hwx h GLN 371 Ca -0.05 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.01 3hwx h GLN 371 Cb 0.65 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.99 3hwx h GLN 371 CO 0.03 0.50 0.10 1.25 -1.50 0.00 0.00 178.83 179.21 3hwx h LEU 372 N 0.78 0.66 -0.17 1.46 5.85 0.39 -1.38 115.31 122.90 3hwx h LEU 372 Ca 0.50 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3hwx h LEU 372 Cb 0.75 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hwx h LEU 372 CO -0.27 0.72 0.10 0.00 -0.34 0.00 0.00 178.44 178.65 3hwx h ALA 373 N 0.96 0.22 -0.42 1.25 0.00 0.20 -2.36 119.26 119.11 3hwx h ALA 373 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3hwx h ALA 373 Cb 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3hwx h ALA 373 CO 0.00 -0.26 0.01 1.25 0.00 0.00 0.00 179.25 180.25 3hwx h HIS 374 N 0.19 -0.01 -0.15 0.00 -0.00 -0.16 -2.56 115.15 112.46 3hwx h HIS 374 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3hwx h HIS 374 Cb 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 3hwx h HIS 374 CO -0.05 -0.08 0.00 0.54 -0.00 0.00 0.00 177.93 178.35 3hwx n ARG 375 N -5.19 1.45 -0.24 5.26 5.12 -0.53 -4.55 116.66 117.98 3hwx n ARG 375 Ca 0.03 -0.59 0.21 0.00 -1.93 0.00 0.00 57.85 55.58 3hwx n ARG 375 Cb 0.22 -1.22 0.56 0.00 -1.16 0.00 0.00 32.46 30.86 3hwx n ARG 375 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3hwx h ILE 376 N 0.91 0.64 0.00 0.55 6.09 -0.99 -0.19 117.51 124.52 3hwx h ILE 376 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 3hwx h ILE 376 Cb 0.32 0.29 0.00 0.00 0.47 0.00 0.00 36.82 37.90 3hwx h ILE 376 CO 0.02 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.16 3hwx h ASP 378 N 0.00 0.00 -0.01 0.00 3.32 -1.39 -3.26 116.42 115.09 3hwx h ASP 378 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hwx h ASP 378 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3hwx h ASP 378 CO 0.00 0.00 -0.08 -1.22 -1.72 0.00 0.00 179.24 176.22 3hwx n TYR 379 N -2.61 0.00 -1.72 4.55 4.01 -0.64 -4.97 117.16 115.78 3hwx n TYR 379 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3hwx n TYR 379 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.09 4.41 0.47 7.72 1.43 -1.07 -4.96 118.68 125.59 3hwx s LEU 380 Ca 0.09 2.66 -0.24 0.00 -1.03 0.00 0.00 54.13 55.60 3hwx s LEU 380 Cb 0.07 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 3hwx s LEU 380 CO 0.16 -1.03 1.38 -0.81 0.23 0.00 0.00 176.35 176.28 3hwx n PRO 381 N 6.91 2.06 -2.09 1.29 -0.04 -1.26 -4.95 135.00 136.92 3hwx n PRO 381 Ca 0.19 0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 63.97 3hwx n PRO 381 Cb 0.40 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 3hwx n PRO 381 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hwx s GLU 382 N -2.50 4.29 -1.56 0.54 0.41 -1.26 -2.01 118.70 116.61 3hwx s GLU 382 Ca 0.63 2.19 -0.03 0.00 -0.41 0.00 0.00 54.97 57.35 3hwx s GLU 382 Cb -0.45 -3.19 0.01 0.00 -1.78 0.00 0.00 34.13 28.72 3hwx s GLU 382 CO 0.56 -0.45 0.36 1.04 -0.49 0.00 0.00 175.26 176.28 3hwx n GLN 383 N 3.41 -3.53 0.00 1.61 1.13 -1.26 -4.84 117.38 113.89 3hwx n GLN 383 Ca 0.10 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 56.04 3hwx n GLN 383 Cb 0.41 -5.64 0.00 0.00 0.11 0.00 0.00 30.24 25.12 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 -1.27 1.91 3.64 1.08 0.00 -0.85 -4.51 105.19 105.19 3hwx n GLY 384 Ca -0.15 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 3hwx n GLY 384 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hwx s GLN 385 N 3.72 0.64 -0.17 1.61 0.74 -0.89 -4.58 119.66 120.73 3hwx s GLN 385 Ca 0.00 1.22 -0.03 0.00 0.05 0.00 0.00 55.36 56.60 3hwx s GLN 385 Cb 0.00 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.41 3hwx s GLN 385 CO 0.00 -0.15 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.35 3hwx s LEU 386 N 1.93 3.01 -0.23 3.68 2.96 -0.58 0.43 118.68 129.88 3hwx s LEU 386 Ca -0.09 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3hwx s LEU 386 Cb -0.07 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hwx s LEU 386 CO -0.19 0.12 -0.10 0.12 -1.32 0.00 0.00 176.35 174.97 3hwx s PHE 387 N 0.67 3.01 -0.10 5.38 5.36 0.04 0.12 117.98 132.46 3hwx s PHE 387 Ca -0.03 -1.64 0.01 0.00 -0.96 0.00 0.00 56.93 54.31 3hwx s PHE 387 Cb -0.15 -2.01 -0.02 0.00 -0.34 0.00 0.00 43.02 40.51 3hwx s PHE 387 CO 0.02 -0.76 -0.14 0.54 -1.46 0.00 0.00 175.22 173.42 3hwx s VAL 388 N 1.30 3.00 1.06 3.12 0.11 -0.29 -2.13 120.40 126.56 3hwx s VAL 388 Ca 0.01 -0.70 -0.18 0.00 -2.93 0.00 0.00 61.98 58.17 3hwx s VAL 388 Cb -0.16 -2.22 0.25 0.00 -1.53 0.00 0.00 36.38 32.71 3hwx s VAL 388 CO -0.07 0.55 1.28 -0.83 -3.33 0.00 0.00 175.10 172.70 3hwx s GLY 389 N -0.04 1.75 0.43 6.54 0.00 -0.38 -4.48 107.32 111.14 3hwx s GLY 389 Ca -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 3hwx s GLY 389 CO 0.04 -0.37 0.59 0.70 0.00 0.00 0.00 173.10 174.06 3hwx n ASN 390 N -4.15 0.33 0.00 1.64 3.02 -1.26 -3.53 115.26 111.31 3hwx n ASN 390 Ca 0.16 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3hwx n ASN 390 Cb 0.59 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 -3.22 0.00 0.08 6.41 2.88 -1.26 -3.59 113.62 114.92 3hwx n SER 391 Ca 0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 3hwx n SER 391 Cb 0.29 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.30 0.08 2.46 3.38 -1.97 -3.11 115.31 116.46 3hwx h LEU 392 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hwx h LEU 392 Cb 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hwx h LEU 392 CO 0.00 0.42 -0.23 1.62 0.09 0.00 0.00 178.44 180.34 3hwx h VAL 393 N 0.31 0.48 -0.62 1.22 3.04 -1.86 0.33 116.25 119.15 3hwx h VAL 393 Ca 0.07 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.74 3hwx h VAL 393 Cb 0.33 0.48 -0.03 0.00 -2.01 0.00 0.00 31.29 30.05 3hwx h VAL 393 CO 0.02 0.00 0.30 1.62 -1.01 0.00 0.00 177.57 178.50 3hwx h VAL 394 N -0.41 1.20 -0.06 1.51 3.04 -1.58 -2.12 116.25 117.82 3hwx h VAL 394 Ca 0.04 -0.55 -0.20 0.00 -1.01 0.00 0.00 66.70 64.98 3hwx h VAL 394 Cb 0.45 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 3hwx h VAL 394 CO -0.16 0.23 -0.80 0.03 -1.01 0.00 0.00 177.57 175.87 3hwx h ARG 395 N 0.87 0.44 0.48 4.17 3.08 -1.43 -2.81 114.38 119.17 3hwx h ARG 395 Ca 0.22 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3hwx h ARG 395 Cb 0.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3hwx h ARG 395 CO -0.03 1.03 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.60 3hwx h LEU 396 N 0.28 -0.54 -0.70 3.04 3.38 0.08 -0.19 115.31 120.66 3hwx h LEU 396 Ca -0.05 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3hwx h LEU 396 Cb 1.40 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.17 3hwx h LEU 396 CO 0.14 -0.12 -0.47 0.40 0.09 0.00 0.00 178.44 178.48 3hwx h ILE 397 N -1.17 0.05 -0.94 1.22 2.04 -1.53 1.15 117.51 118.34 3hwx h ILE 397 Ca -0.07 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.08 3hwx h ILE 397 Cb 0.50 0.05 -0.16 0.00 -0.74 0.00 0.00 36.82 36.47 3hwx h ILE 397 CO 0.11 0.00 0.29 -0.78 0.00 0.00 0.00 178.15 177.77 3hwx h ASP 398 N -0.17 0.02 1.12 1.72 3.58 -1.49 0.39 116.42 121.59 3hwx h ASP 398 Ca 0.19 0.22 -0.16 0.00 0.42 0.00 0.00 57.03 57.71 3hwx h ASP 398 Cb 0.55 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 3hwx h ASP 398 CO -0.77 -0.24 -0.93 0.00 -2.88 0.00 0.00 179.24 174.43 3hwx h ALA 399 N 1.87 0.61 -0.00 -0.78 0.00 0.19 -3.42 119.26 117.72 3hwx h ALA 399 Ca 0.64 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 399 Cb 1.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3hwx h ALA 399 CO -0.72 0.90 0.00 1.28 0.00 0.00 0.00 179.25 180.70 3hwx n LEU 400 N -3.15 1.19 -3.82 0.00 4.77 0.35 -4.13 117.00 112.21 3hwx n LEU 400 Ca -0.03 -1.11 -0.12 0.00 -0.03 0.00 0.00 56.01 54.72 3hwx n LEU 400 Cb 0.83 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 3hwx n LEU 400 CO 0.43 0.29 -0.13 -0.55 -1.33 0.00 0.00 177.39 176.10 3hwx s SER 401 N -0.18 -0.14 -0.38 -1.43 0.15 -0.03 -4.17 113.70 107.51 3hwx s SER 401 Ca 0.01 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 3hwx s SER 401 Cb 0.01 0.35 0.10 0.00 -1.71 0.00 0.00 66.02 64.77 3hwx s SER 401 CO 0.01 -0.20 0.15 -1.58 1.20 0.00 0.00 173.24 172.82 3hwx s GLN 402 N -0.49 1.96 0.40 5.44 0.74 -1.26 -4.76 119.66 121.69 3hwx s GLN 402 Ca -0.06 -1.76 -0.23 0.00 0.05 0.00 0.00 55.36 53.36 3hwx s GLN 402 Cb -0.04 -3.47 -0.10 0.00 1.10 0.00 0.00 33.01 30.51 3hwx s GLN 402 CO 0.01 -0.99 0.99 -0.51 -0.55 0.00 0.00 175.29 174.23 3hwx s LEU 403 N 1.11 4.10 0.36 3.68 1.43 -1.26 -4.89 118.68 123.21 3hwx s LEU 403 Ca 0.07 1.85 -0.27 0.00 -1.03 0.00 0.00 54.13 54.75 3hwx s LEU 403 Cb -0.22 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.62 3hwx s LEU 403 CO -0.04 -0.36 1.23 -2.16 0.23 0.00 0.00 176.35 175.25 3hwx s PRO 404 N -2.67 4.22 -0.12 1.29 0.05 -1.26 -3.77 135.00 132.75 3hwx s PRO 404 Ca 0.58 2.02 -0.37 0.00 0.05 0.00 0.00 61.00 63.28 3hwx s PRO 404 Cb -0.16 -2.89 -0.14 0.00 0.05 0.00 0.00 34.50 31.36 3hwx s PRO 404 CO 0.21 -0.23 1.74 0.00 0.05 0.00 0.00 177.00 178.77 3hwx n ALA 405 N 0.48 0.33 -0.82 8.56 0.00 -1.26 -2.41 120.51 125.39 3hwx n ALA 405 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3hwx n ALA 405 Cb 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 4.03 0.74 3.66 0.00 0.00 0.34 -4.80 105.19 109.16 3hwx n GLY 406 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.77 3.14 0.08 1.61 6.14 -1.01 -4.79 117.35 119.75 3hwx s TYR 407 Ca 0.00 1.28 -0.31 0.00 0.64 0.00 0.00 57.07 58.68 3hwx s TYR 407 Cb 0.00 -3.37 -0.09 0.00 0.42 0.00 0.00 41.96 38.93 3hwx s TYR 407 CO 0.00 -0.99 1.73 -2.14 0.64 0.00 0.00 175.55 174.79 3hwx s PRO 408 N 3.22 4.17 -0.03 4.97 0.02 -1.26 -4.69 135.00 141.41 3hwx s PRO 408 Ca 0.49 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.99 3hwx s PRO 408 Cb -0.18 -3.65 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 3hwx s PRO 408 CO 0.11 -0.79 -0.20 0.08 -0.33 0.00 0.00 177.00 175.87 3hwx s VAL 409 N 2.86 2.62 0.28 3.83 1.01 -1.26 -1.53 120.40 128.22 3hwx s VAL 409 Ca 0.77 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.91 3hwx s VAL 409 Cb -0.42 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 3hwx s VAL 409 CO 0.34 0.57 -0.06 -0.31 0.00 0.00 0.00 175.10 175.65 3hwx s TYR 410 N -0.69 1.98 -0.13 5.22 2.02 0.31 -4.96 117.35 121.10 3hwx s TYR 410 Ca 0.11 -0.69 -0.34 0.00 -0.37 0.00 0.00 57.07 55.78 3hwx s TYR 410 Cb -0.10 -1.13 0.14 0.00 -0.40 0.00 0.00 41.96 40.47 3hwx s TYR 410 CO 0.00 0.29 1.37 -1.54 -1.57 0.00 0.00 175.55 174.10 3hwx s SER 411 N -3.45 -0.03 -0.85 2.29 1.04 -1.26 -1.14 113.70 110.29 3hwx s SER 411 Ca 0.30 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3hwx s SER 411 Cb 0.04 0.06 0.23 0.00 0.10 0.00 0.00 66.02 66.45 3hwx s SER 411 CO 0.12 -0.11 0.82 0.59 0.98 0.00 0.00 173.24 175.65 3hwx n ASN 412 N -0.35 4.24 -1.07 7.02 3.02 -1.26 -4.85 115.26 122.01 3hwx n ASN 412 Ca -0.05 -3.23 0.11 0.00 -0.03 0.00 0.00 54.58 51.38 3hwx n ASN 412 Cb 0.61 -0.97 0.25 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.88 2.39 0.00 3.52 5.12 -1.26 -2.24 116.66 126.07 3hwx n ARG 413 Ca 0.23 -2.11 0.00 0.00 -1.93 0.00 0.00 57.85 54.05 3hwx n ARG 413 Cb 0.37 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 3hwx n ARG 413 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwx n GLY 414 N 1.45 -1.81 0.78 -0.13 0.00 -1.26 -4.13 105.19 100.09 3hwx n GLY 414 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3hwx n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx n ALA 415 N -1.75 2.70 -3.44 4.61 0.00 -1.26 -4.97 120.51 116.39 3hwx n ALA 415 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.57 3hwx n ALA 415 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 0.87 -2.73 -4.73 0.00 7.64 -0.95 -4.89 113.62 108.82 3hwx n SER 416 Ca 0.14 -0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.20 3hwx n SER 416 Cb 0.53 -2.32 -0.03 0.00 -1.01 0.00 0.00 64.21 61.39 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 -2.68 2.06 -0.03 0.23 0.00 -1.26 -4.84 107.32 100.80 3hwx s GLY 417 Ca 0.41 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.40 3hwx s GLY 417 CO 0.51 2.35 0.73 0.29 0.00 0.00 0.00 173.10 176.99 3hwx n ILE 418 N 3.18 0.50 0.14 0.90 -5.35 -1.26 -4.36 119.36 113.11 3hwx n ILE 418 Ca 0.10 -0.19 0.11 0.00 -0.27 0.00 0.00 62.75 62.50 3hwx n ILE 418 Cb 0.41 -0.55 -0.16 0.00 -1.74 0.00 0.00 39.64 37.60 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 0.12 0.24 -0.12 7.28 5.75 -1.26 -4.62 116.55 123.94 3hwx n ASP 419 Ca 0.04 -0.15 0.02 0.00 -0.01 0.00 0.00 54.79 54.69 3hwx n ASP 419 Cb 0.42 1.83 0.01 0.00 -1.03 0.00 0.00 41.12 42.34 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 1.32 -0.65 0.31 6.12 0.00 -1.26 -4.68 105.19 106.35 3hwx n GLY 420 Ca -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 0.58 -0.98 0.03 0.99 3.38 -1.84 0.28 115.31 117.75 3hwx h LEU 421 Ca 0.00 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3hwx h LEU 421 Cb 0.14 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hwx h LEU 421 CO 0.00 -0.28 -0.08 -0.07 0.09 0.00 0.00 178.44 178.10 3hwx h LEU 422 N -0.13 -0.22 -0.95 1.67 3.38 -1.87 -1.54 115.31 115.66 3hwx h LEU 422 Ca 0.25 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3hwx h LEU 422 Cb 0.53 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3hwx h LEU 422 CO -0.66 -0.12 -0.15 0.77 0.09 0.00 0.00 178.44 178.37 3hwx h SER 423 N -0.15 0.59 0.04 -0.43 4.64 -1.61 -1.85 113.55 114.78 3hwx h SER 423 Ca 0.02 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3hwx h SER 423 Cb 0.18 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hwx h SER 423 CO -0.06 0.76 -0.02 0.74 -0.87 0.00 0.00 176.83 177.38 3hwx h THR 424 N 0.54 1.05 -0.90 2.95 2.02 -0.85 -2.63 112.91 115.09 3hwx h THR 424 Ca 0.09 -0.28 0.20 0.00 0.77 0.00 0.00 66.41 67.19 3hwx h THR 424 Cb 0.57 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 3hwx h THR 424 CO 0.04 0.07 0.59 0.00 0.37 0.00 0.00 175.52 176.59 3hwx h ALA 425 N 0.78 2.15 -0.30 6.16 0.00 -0.72 0.93 119.26 128.26 3hwx h ALA 425 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hwx h ALA 425 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hwx h ALA 425 CO 0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 179.25 178.76 3hwx h ALA 426 N 1.61 0.41 -0.52 0.00 0.00 -0.99 -0.69 119.26 119.08 3hwx h ALA 426 Ca 0.47 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3hwx h ALA 426 Cb 1.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3hwx h ALA 426 CO -0.19 0.22 -0.06 0.78 0.00 0.00 0.00 179.25 180.00 3hwx h GLY 427 N 0.34 1.03 -0.30 0.00 0.00 -1.04 -0.85 103.07 102.25 3hwx h GLY 427 Ca 0.08 -0.81 0.09 0.00 0.00 0.00 0.00 47.33 46.69 3hwx h GLY 427 CO 0.03 0.74 -0.32 -2.08 0.00 0.00 0.00 176.54 174.91 3hwx h VAL 428 N 0.82 0.21 0.00 4.60 2.07 -0.72 -0.80 116.25 122.43 3hwx h VAL 428 Ca 0.14 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.48 3hwx h VAL 428 Cb 0.61 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3hwx h VAL 428 CO 0.04 0.00 -0.84 0.06 0.02 0.00 0.00 177.57 176.85 3hwx h GLN 429 N -0.19 0.09 -0.14 1.57 -0.00 -0.84 -3.26 115.11 112.34 3hwx h GLN 429 Ca 0.21 -0.10 -0.18 0.00 -0.00 0.00 0.00 58.65 58.58 3hwx h GLN 429 Cb 0.54 0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.04 3hwx h GLN 429 CO -0.61 0.87 -0.64 0.00 -0.00 0.00 0.00 178.83 178.45 3hwx h ARG 430 N 0.05 0.53 0.10 0.06 3.08 -0.78 0.39 114.38 117.81 3hwx h ARG 430 Ca -0.02 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.67 3hwx h ARG 430 Cb 1.47 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 3hwx h ARG 430 CO 0.12 1.00 -0.24 0.00 -1.07 0.00 0.00 179.97 179.77 3hwx h ALA 431 N 0.91 -0.40 0.01 0.04 0.00 -1.24 -3.30 119.26 115.28 3hwx h ALA 431 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 3hwx h ALA 431 Cb 1.20 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 3hwx h ALA 431 CO 0.12 -0.77 -1.68 0.66 0.00 0.00 0.00 179.25 177.58 3hwx h SER 432 N -0.44 0.02 0.00 0.00 4.64 -1.51 -3.48 113.55 112.78 3hwx h SER 432 Ca 0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hwx h SER 432 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hwx h SER 432 CO -0.15 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 3hwx n GLY 433 N 1.56 0.66 3.87 -0.77 0.00 0.13 -5.04 105.19 105.60 3hwx n GLY 433 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 3.82 0.07 1.61 1.02 -1.25 -4.42 119.74 120.38 3hwx s LYS 434 Ca 0.00 0.49 -0.35 0.00 0.02 0.00 0.00 55.97 56.12 3hwx s LYS 434 Cb 0.00 -2.42 -0.15 0.00 -0.52 0.00 0.00 37.83 34.75 3hwx s LYS 434 CO 0.00 0.02 1.57 -2.30 -0.92 0.00 0.00 175.35 173.72 3hwx n PRO 435 N -1.06 1.78 -5.09 -1.68 -0.02 -1.26 -4.66 135.00 123.00 3hwx n PRO 435 Ca 0.02 0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 3hwx n PRO 435 Cb 0.54 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 3hwx n PRO 435 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hwx s THR 436 N 1.47 2.40 -0.26 3.45 2.01 -0.56 -2.09 115.64 122.05 3hwx s THR 436 Ca 0.84 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 3hwx s THR 436 Cb -0.79 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 3hwx s THR 436 CO 0.45 0.56 0.03 -0.22 -0.69 0.00 0.00 174.62 174.74 3hwx s LEU 437 N 0.09 3.43 -0.02 4.42 2.96 0.17 -1.05 118.68 128.67 3hwx s LEU 437 Ca -0.09 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.33 3hwx s LEU 437 Cb -0.15 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3hwx s LEU 437 CO 0.06 -0.11 -0.18 0.00 -1.32 0.00 0.00 176.35 174.80 3hwx s ALA 438 N 1.50 2.52 0.09 5.97 0.00 -0.45 -0.78 121.76 130.60 3hwx s ALA 438 Ca 0.04 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.01 3hwx s ALA 438 Cb -0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3hwx s ALA 438 CO 0.00 0.55 -0.20 0.42 0.00 0.00 0.00 175.76 176.53 3hwx s ILE 439 N -0.74 1.64 -0.29 0.00 1.01 -0.91 -0.44 121.20 121.48 3hwx s ILE 439 Ca 0.12 -1.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.08 3hwx s ILE 439 Cb -0.10 -1.48 0.14 0.00 0.01 0.00 0.00 42.46 41.02 3hwx s ILE 439 CO 0.01 -0.01 1.15 -0.69 0.00 0.00 0.00 174.94 175.39 3hwx s VAL 440 N -1.08 0.00 0.77 2.92 1.01 -0.86 -1.25 120.40 121.90 3hwx s VAL 440 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 3hwx s VAL 440 Cb -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.35 3hwx s VAL 440 CO 0.03 0.00 1.12 -0.83 0.00 0.00 0.00 175.10 175.43 3hwx s GLY 441 N 0.23 1.62 0.13 4.51 0.00 -1.26 -0.66 107.32 111.89 3hwx s GLY 441 Ca 0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 3hwx s GLY 441 CO -0.09 -0.27 1.62 1.29 0.00 0.00 0.00 173.10 175.65 3hwx h ASP 442 N -0.89 0.62 0.72 1.64 2.03 -1.69 -1.44 116.42 117.42 3hwx h ASP 442 Ca -0.45 -0.24 -0.03 0.00 -0.73 0.00 0.00 57.03 55.57 3hwx h ASP 442 Cb 1.32 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 3hwx h ASP 442 CO 0.64 0.70 -0.15 -0.07 -1.03 0.00 0.00 179.24 179.33 3hwx h LEU 443 N 0.51 0.00 -0.19 0.15 3.38 -1.90 0.23 115.31 117.49 3hwx h LEU 443 Ca 0.13 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 3hwx h LEU 443 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hwx h LEU 443 CO 0.00 0.15 -0.56 0.28 0.09 0.00 0.00 178.44 178.41 3hwx h SER 444 N 0.00 0.82 0.64 -0.43 0.02 -1.70 0.95 113.55 113.85 3hwx h SER 444 Ca -0.00 -0.58 -0.17 0.00 -0.84 0.00 0.00 61.79 60.20 3hwx h SER 444 Cb 0.56 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3hwx h SER 444 CO 0.02 1.26 -0.77 0.00 -1.14 0.00 0.00 176.83 176.20 3hwx h ALA 445 N 0.58 0.69 -0.03 3.77 0.00 -1.00 -3.05 119.26 120.22 3hwx h ALA 445 Ca -0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3hwx h ALA 445 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hwx h ALA 445 CO 0.12 0.90 -0.02 -0.07 0.00 0.00 0.00 179.25 180.18 3hwx h LEU 446 N 0.06 0.07 -1.48 0.00 3.38 -0.55 -1.71 115.31 115.07 3hwx h LEU 446 Ca -0.02 -0.47 0.34 0.00 0.09 0.00 0.00 57.88 57.82 3hwx h LEU 446 Cb 1.36 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 3hwx h LEU 446 CO 0.11 0.53 0.77 0.22 0.09 0.00 0.00 178.44 180.16 3hwx h TYR 447 N -0.39 0.50 0.00 1.13 5.03 -0.76 -1.57 116.97 120.92 3hwx h TYR 447 Ca 0.00 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 3hwx h TYR 447 Cb 0.51 -0.14 -0.19 0.00 1.55 0.00 0.00 36.73 38.45 3hwx h TYR 447 CO 0.09 -0.04 -0.75 -3.47 -1.32 0.00 0.00 178.16 172.68 3hwx n ASP 448 N -4.57 1.29 -0.31 -2.11 2.03 -1.16 -4.87 116.55 106.86 3hwx n ASP 448 Ca 0.30 -2.82 0.15 0.00 0.52 0.00 0.00 54.79 52.93 3hwx n ASP 448 Cb 1.14 -0.39 0.28 0.00 -0.72 0.00 0.00 41.12 41.43 3hwx n ASP 448 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3hwx n LEU 449 N -0.27 -0.07 0.00 -2.67 7.94 -0.59 0.51 117.00 121.86 3hwx n LEU 449 Ca 0.11 1.50 0.08 0.00 -1.11 0.00 0.00 56.01 56.60 3hwx n LEU 449 Cb 0.92 -0.56 0.37 0.00 0.53 0.00 0.00 43.42 44.67 3hwx n LEU 449 CO -0.04 -1.54 0.75 -0.46 -1.11 0.00 0.00 177.39 175.00 3hwx n ASN 450 N -5.27 0.00 0.00 1.96 0.23 -1.26 -2.19 115.26 108.73 3hwx n ASN 450 Ca 0.22 0.38 0.10 0.00 -0.53 0.00 0.00 54.58 54.74 3hwx n ASN 450 Cb 0.72 -0.44 0.49 0.00 -2.08 0.00 0.00 39.78 38.47 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 -1.44 2.02 0.30 -2.53 0.00 0.18 -2.05 120.51 117.00 3hwx n ALA 451 Ca 0.05 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.58 3hwx n ALA 451 Cb 0.18 -1.33 0.84 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.59 -1.79 115.31 115.18 3hwx h LEU 452 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hwx h LEU 452 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hwx h LEU 452 CO 0.00 0.00 0.02 0.00 0.09 0.00 0.00 178.44 178.55 3hwx h ALA 453 N 2.03 0.13 -0.62 1.53 0.00 -1.67 -3.04 119.26 117.62 3hwx h ALA 453 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hwx h ALA 453 Cb 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hwx h ALA 453 CO 0.00 -0.42 0.31 -0.07 0.00 0.00 0.00 179.25 179.06 3hwx h LEU 454 N 0.08 0.78 0.00 0.00 3.38 -1.53 -2.98 115.31 115.04 3hwx h LEU 454 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hwx h LEU 454 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hwx h LEU 454 CO -0.08 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.28 3hwx n LEU 455 N -4.36 0.00 0.07 1.67 4.77 -1.15 0.06 117.00 118.05 3hwx n LEU 455 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3hwx n LEU 455 Cb 0.12 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.68 3hwx n LEU 455 CO 0.38 0.00 0.89 0.54 -1.33 0.00 0.00 177.39 177.87 3hwx n ARG 456 N -0.53 0.15 -3.56 3.23 1.74 -1.13 -3.85 116.66 112.70 3hwx n ARG 456 Ca 0.01 0.19 -0.27 0.00 -0.77 0.00 0.00 57.85 57.01 3hwx n ARG 456 Cb 0.01 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.65 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 -1.95 1.03 -4.76 5.56 6.02 0.11 -4.95 117.38 118.44 3hwx n GLN 457 Ca 0.05 -3.78 -0.31 0.00 -0.01 0.00 0.00 57.00 52.95 3hwx n GLN 457 Cb 0.34 -1.90 -0.13 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.82 2.84 -1.72 5.09 -7.23 -1.26 -4.97 120.40 112.34 3hwx s VAL 458 Ca 0.31 -1.05 0.27 0.00 -1.81 0.00 0.00 61.98 59.70 3hwx s VAL 458 Cb 0.03 -2.16 0.31 0.00 0.56 0.00 0.00 36.38 35.11 3hwx s VAL 458 CO -0.17 0.42 1.63 -1.54 -0.31 0.00 0.00 175.10 175.14 3hwx n SER 459 N 1.80 0.89 -3.88 4.85 3.41 -1.26 -4.67 113.62 114.75 3hwx n SER 459 Ca -0.16 -0.80 -0.09 0.00 -0.26 0.00 0.00 58.87 57.55 3hwx n SER 459 Cb 0.52 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.51 -0.18 0.48 7.33 0.00 -1.26 -4.86 121.76 120.76 3hwx s ALA 460 Ca 0.25 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.29 3hwx s ALA 460 Cb 0.19 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 3hwx s ALA 460 CO 0.51 -0.58 1.05 -0.35 0.00 0.00 0.00 175.76 176.39 3hwx n PRO 461 N -0.14 1.34 -3.80 0.00 -0.04 -1.24 -4.17 135.00 126.96 3hwx n PRO 461 Ca -0.12 0.49 -0.20 0.00 -0.04 0.00 0.00 63.50 63.62 3hwx n PRO 461 Cb 0.63 -2.15 -0.17 0.00 -0.04 0.00 0.00 33.50 31.76 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 -1.23 0.64 -0.22 1.53 0.20 -1.13 -1.50 118.68 116.96 3hwx s LEU 462 Ca 0.66 -0.02 -0.08 0.00 0.69 0.00 0.00 54.13 55.38 3hwx s LEU 462 Cb -0.50 -0.30 -0.04 0.00 -0.43 0.00 0.00 46.19 44.92 3hwx s LEU 462 CO 0.54 -0.18 0.08 -0.69 -0.29 0.00 0.00 176.35 175.81 3hwx s VAL 463 N 1.74 4.62 -0.36 1.68 1.01 -0.21 -1.43 120.40 127.45 3hwx s VAL 463 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3hwx s VAL 463 Cb -0.13 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.18 3hwx s VAL 463 CO -0.03 0.38 0.13 -0.22 0.00 0.00 0.00 175.10 175.35 3hwx s LEU 464 N 1.12 4.55 -0.16 3.92 2.96 -0.62 -1.34 118.68 129.11 3hwx s LEU 464 Ca 0.05 -1.41 -0.21 0.00 -0.22 0.00 0.00 54.13 52.34 3hwx s LEU 464 Cb -0.14 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3hwx s LEU 464 CO 0.04 -0.39 0.62 -0.63 -1.32 0.00 0.00 176.35 174.67 3hwx s ILE 465 N 1.32 5.05 -0.34 6.68 1.01 0.42 -0.25 121.20 135.09 3hwx s ILE 465 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.86 3hwx s ILE 465 Cb -0.21 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.40 3hwx s ILE 465 CO 0.00 0.17 0.06 -0.69 0.00 0.00 0.00 174.94 174.49 3hwx s VAL 466 N 1.48 2.79 -0.05 2.92 1.01 0.16 -2.02 120.40 126.69 3hwx s VAL 466 Ca 0.30 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 3hwx s VAL 466 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3hwx s VAL 466 CO 0.12 -0.41 1.50 -0.69 0.00 0.00 0.00 175.10 175.62 3hwx s VAL 467 N 1.11 3.72 -0.43 2.92 1.01 0.17 -1.77 120.40 127.12 3hwx s VAL 467 Ca 0.03 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 3hwx s VAL 467 Cb -0.21 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.66 3hwx s VAL 467 CO -0.04 -0.05 0.26 0.21 0.00 0.00 0.00 175.10 175.47 3hwx s ASN 468 N 2.53 5.41 -0.05 3.32 3.84 -0.19 -1.89 114.94 127.91 3hwx s ASN 468 Ca 0.67 -2.01 0.14 0.00 0.21 0.00 0.00 52.86 51.87 3hwx s ASN 468 Cb -0.31 -1.89 0.45 0.00 -0.55 0.00 0.00 41.25 38.95 3hwx s ASN 468 CO 0.26 -0.59 1.37 -0.46 -2.79 0.00 0.00 177.10 174.89 3hwx n ASN 469 N 4.68 3.50 -3.16 -4.21 0.23 -1.26 -1.15 115.26 113.88 3hwx n ASN 469 Ca -0.04 -2.27 -0.08 0.00 -0.53 0.00 0.00 54.58 51.66 3hwx n ASN 469 Cb 0.41 -0.37 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 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 0.51 -7.21 0.00 0.53 5.15 -1.26 -4.08 115.26 108.90 3hwx n ASN 470 Ca 0.17 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 3hwx n ASN 470 Cb 0.61 -5.21 0.00 0.00 -0.53 0.00 0.00 39.78 34.65 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 -1.52 2.41 3.12 8.20 0.00 -1.26 -4.24 105.19 111.91 3hwx n GLY 471 Ca -0.04 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3hwx n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwx n GLY 472 N -1.28 3.49 0.00 -0.02 0.00 0.57 -4.76 105.19 103.19 3hwx n GLY 472 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.55 3hwx n GLY 472 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 473 N 7.15 0.15 0.33 1.61 1.13 -1.26 0.49 117.38 126.98 3hwx n GLN 473 Ca 0.50 0.08 0.21 0.00 -1.94 0.00 0.00 57.00 55.86 3hwx n GLN 473 Cb 0.42 -1.50 1.12 0.00 0.11 0.00 0.00 30.24 30.40 3hwx n GLN 473 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 3hwx h ILE 474 N 0.00 0.05 -0.47 5.09 6.09 -1.95 -0.53 117.51 125.79 3hwx h ILE 474 Ca 0.00 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 3hwx h ILE 474 Cb 0.02 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.39 3hwx h ILE 474 CO 0.00 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.57 3hwx n PHE 475 N -3.15 0.63 0.01 2.19 3.72 0.18 -1.96 117.46 119.09 3hwx n PHE 475 Ca -0.02 -0.32 -0.22 0.00 -0.05 0.00 0.00 57.45 56.84 3hwx n PHE 475 Cb 0.11 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.51 3hwx n PHE 475 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hwx h SER 476 N 2.96 0.41 -0.44 4.37 0.02 -1.27 -3.41 113.55 116.19 3hwx h SER 476 Ca 0.00 -0.89 0.02 0.00 -0.84 0.00 0.00 61.79 60.08 3hwx h SER 476 Cb 0.67 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3hwx h SER 476 CO 0.00 1.77 0.26 0.25 -1.14 0.00 0.00 176.83 177.97 3hwx h LEU 477 N -0.09 0.41-10.33 5.07 5.85 -1.37 -3.42 115.31 111.42 3hwx h LEU 477 Ca -0.38 0.01 -0.51 0.00 0.84 0.00 0.00 57.88 57.83 3hwx h LEU 477 Cb 1.93 -0.08 0.11 0.00 0.37 0.00 0.00 40.66 42.99 3hwx h LEU 477 CO 0.07 0.29 0.35 -0.76 -0.34 0.00 0.00 178.44 178.05 3hwx s LEU 478 N -10.21 3.08 -0.98 2.25 1.43 -1.11 -4.96 118.68 108.17 3hwx s LEU 478 Ca -0.13 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 3hwx s LEU 478 Cb 0.12 -4.49 0.19 0.00 0.03 0.00 0.00 46.19 42.04 3hwx s LEU 478 CO 0.73 -1.68 2.29 -0.81 0.23 0.00 0.00 176.35 177.11 3hwx n PRO 479 N -3.29 4.04 -2.61 1.29 -0.05 -1.26 -4.90 135.00 128.22 3hwx n PRO 479 Ca 0.08 -3.50 -0.42 0.00 -0.05 0.00 0.00 63.50 59.61 3hwx n PRO 479 Cb 0.53 -2.43 -0.03 0.00 -0.05 0.00 0.00 33.50 31.53 3hwx n PRO 479 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3hwx s THR 480 N -2.72 4.60 -0.18 0.52 -4.23 -1.26 -4.88 115.64 107.48 3hwx s THR 480 Ca 0.51 1.88 -0.36 0.00 -1.18 0.00 0.00 61.69 62.53 3hwx s THR 480 Cb 0.27 -4.20 -0.13 0.00 1.34 0.00 0.00 72.50 69.77 3hwx s THR 480 CO -0.18 0.07 1.85 -2.65 -0.54 0.00 0.00 174.62 173.18 3hwx n PRO 481 N 4.50 1.74 0.33 3.99 -0.02 -1.26 -4.80 135.00 139.48 3hwx n PRO 481 Ca 0.08 0.63 0.20 0.00 -2.02 0.00 0.00 63.50 62.39 3hwx n PRO 481 Cb 0.49 -2.44 1.06 0.00 -0.02 0.00 0.00 33.50 32.59 3hwx n PRO 481 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hwx h GLN 482 N 8.69 0.00 0.23 -0.52 4.20 -1.99 -2.84 115.11 122.88 3hwx h GLN 482 Ca -0.47 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 3hwx h GLN 482 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3hwx h GLN 482 CO 0.96 0.00 -0.12 1.03 -0.67 0.00 0.00 178.83 180.03 3hwx h SER 483 N 0.00 -0.29 -0.45 1.46 0.87 -2.03 -3.26 113.55 109.85 3hwx h SER 483 Ca 0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3hwx h SER 483 Cb 0.26 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3hwx h SER 483 CO -0.00 -0.20 0.00 -1.84 -0.53 0.00 0.00 176.83 174.26 3hwx n GLU 484 N -5.24 2.99 -0.03 2.24 0.00 -1.12 -4.73 120.64 114.76 3hwx n GLU 484 Ca -0.09 -2.41 -0.10 0.00 0.00 0.00 0.00 57.16 54.56 3hwx n GLU 484 Cb 0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.06 3hwx n GLU 484 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3hwx h ARG 485 N 2.73 -0.37 0.23 3.44 9.65 -1.55 0.41 114.38 128.93 3hwx h ARG 485 Ca 0.00 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3hwx h ARG 485 Cb 0.99 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3hwx h ARG 485 CO 0.07 -0.24 -0.11 1.49 2.80 0.00 0.00 179.97 183.97 3hwx h GLU 486 N -0.38 -0.30 0.00 0.20 4.81 -1.85 -0.08 114.58 116.98 3hwx h GLU 486 Ca 0.11 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 3hwx h GLU 486 Cb 0.56 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3hwx h GLU 486 CO -0.41 -0.03 -0.87 0.07 -0.73 0.00 0.00 179.01 177.04 3hwx h ARG 487 N -0.56 0.03 -0.01 1.92 0.11 -1.84 -2.74 114.38 111.29 3hwx h ARG 487 Ca -0.03 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3hwx h ARG 487 Cb 0.41 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3hwx h ARG 487 CO 0.05 0.88 -0.24 1.19 0.10 0.00 0.00 179.97 181.95 3hwx n PHE 488 N -3.54 0.00 0.02 4.08 3.72 0.14 -4.63 117.46 117.25 3hwx n PHE 488 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3hwx n PHE 488 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 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 -0.30 -0.02 -0.05 1.38 4.01 -0.88 -4.86 117.16 116.44 3hwx n TYR 489 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.64 3hwx n TYR 489 Cb 0.23 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hwx h LEU 490 N 0.00 0.65 -3.36 7.72 3.38 -1.08 -3.41 115.31 119.21 3hwx h LEU 490 Ca 0.00 -0.57 -0.55 0.00 0.09 0.00 0.00 57.88 56.85 3hwx h LEU 490 Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hwx h LEU 490 CO 0.00 1.10 -0.98 0.23 0.09 0.00 0.00 178.44 178.88 3hwx n MET 491 N -4.27 -0.84 -1.01 1.13 2.81 -1.04 -0.31 117.12 113.60 3hwx n MET 491 Ca -0.06 0.20 -0.33 0.00 -1.81 0.00 0.00 57.70 55.70 3hwx n MET 491 Cb 0.54 -3.24 0.13 0.00 -0.71 0.00 0.00 33.22 29.93 3hwx n MET 491 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3hwx n PRO 492 N -4.72 0.02 0.00 0.03 -0.04 -1.26 -4.54 135.00 124.49 3hwx n PRO 492 Ca -0.15 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3hwx n PRO 492 Cb 0.60 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3hwx n PRO 492 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hwx n GLN 493 N -2.81 2.50 -3.50 0.54 1.13 -1.26 -4.91 117.38 109.07 3hwx n GLN 493 Ca 0.12 -0.09 -0.20 0.00 -1.94 0.00 0.00 57.00 54.89 3hwx n GLN 493 Cb 0.51 -0.45 0.02 0.00 0.11 0.00 0.00 30.24 30.44 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 -0.38 -6.03 -3.88 1.08 3.02 -1.26 -4.96 115.26 102.85 3hwx n ASN 494 Ca 0.00 -0.71 -0.25 0.00 -0.03 0.00 0.00 54.58 53.59 3hwx n ASN 494 Cb 0.04 -3.62 -0.08 0.00 -0.61 0.00 0.00 39.78 35.51 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 -3.20 0.40 0.29 2.41 0.11 -1.26 -5.18 120.40 113.97 3hwx s VAL 495 Ca 0.21 -2.00 -0.06 0.00 -2.93 0.00 0.00 61.98 57.21 3hwx s VAL 495 Cb -0.07 -2.32 -0.01 0.00 -1.53 0.00 0.00 36.38 32.46 3hwx s VAL 495 CO 0.83 0.00 0.42 -1.00 -3.33 0.00 0.00 175.10 172.02 3hwx s HIS 496 N -3.21 0.85 -0.56 1.54 3.76 -1.26 -5.07 115.29 111.33 3hwx s HIS 496 Ca 0.25 -1.12 0.05 0.00 -0.15 0.00 0.00 55.06 54.10 3hwx s HIS 496 Cb 0.01 -0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.69 3hwx s HIS 496 CO 0.18 -1.01 0.77 1.19 -0.85 0.00 0.00 174.74 175.02 3hwx n PHE 497 N -0.46 0.05 -0.17 1.40 3.01 -1.26 -4.64 117.46 115.39 3hwx n PHE 497 Ca 0.00 -0.13 -0.07 0.00 1.01 0.00 0.00 57.45 58.26 3hwx n PHE 497 Cb 0.62 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.10 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 0.95 0.68 -0.17 -1.08 4.81 -1.98 -1.07 114.58 116.72 3hwx h GLU 498 Ca 0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 3hwx h GLU 498 Cb 0.31 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3hwx h GLU 498 CO 0.00 0.49 -0.49 0.45 -0.73 0.00 0.00 179.01 178.73 3hwx h HIS 499 N 0.68 0.57 -0.36 0.92 3.86 -2.00 -0.90 115.15 117.92 3hwx h HIS 499 Ca 0.18 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3hwx h HIS 499 Cb -0.02 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3hwx h HIS 499 CO -0.03 0.87 0.03 0.00 0.86 0.00 0.00 177.93 179.66 3hwx h ALA 500 N 1.10 0.49 -0.20 2.45 0.00 -1.79 -0.55 119.26 120.76 3hwx h ALA 500 Ca 0.02 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hwx h ALA 500 Cb 1.00 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3hwx h ALA 500 CO 0.09 0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.40 3hwx h ALA 501 N 0.89 -0.02 -0.26 0.00 0.00 -0.97 -3.07 119.26 115.82 3hwx h ALA 501 Ca 0.11 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3hwx h ALA 501 Cb 0.40 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hwx h ALA 501 CO 0.01 -0.59 0.09 0.00 0.00 0.00 0.00 179.25 178.76 3hwx h ALA 502 N 0.95 0.29 -0.88 0.00 0.00 -0.43 -0.20 119.26 118.99 3hwx h ALA 502 Ca 0.12 0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.28 3hwx h ALA 502 Cb 0.34 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.99 3hwx h ALA 502 CO -0.29 -0.33 0.04 1.98 0.00 0.00 0.00 179.25 180.65 3hwx h MET 503 N 0.20 0.08 -0.58 0.00 4.05 -1.03 0.47 114.93 118.11 3hwx h MET 503 Ca 0.11 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 3hwx h MET 503 Cb 0.09 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.82 3hwx h MET 503 CO -0.12 0.05 0.09 1.19 0.23 0.00 0.00 176.91 178.35 3hwx n PHE 504 N -5.40 2.04 -3.74 1.39 3.72 -0.82 -4.94 117.46 109.72 3hwx n PHE 504 Ca 0.19 -0.94 -0.29 0.00 -0.05 0.00 0.00 57.45 56.36 3hwx n PHE 504 Cb 0.62 -0.55 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.15 -1.98 -5.01 -1.08 1.02 0.16 -4.87 120.64 109.03 3hwx n GLU 505 Ca 0.32 0.46 -0.32 0.00 -0.02 0.00 0.00 57.16 57.60 3hwx n GLU 505 Cb 1.22 -4.31 -0.14 0.00 -0.02 0.00 0.00 31.44 28.19 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 -6.59 2.46 0.43 -4.62 1.43 -0.17 -5.01 118.68 106.61 3hwx s LEU 506 Ca 0.34 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.84 3hwx s LEU 506 Cb -0.12 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.55 3hwx s LEU 506 CO 0.86 0.32 1.42 -0.75 0.23 0.00 0.00 176.35 178.44 3hwx s LYS 507 N -0.81 3.79 -0.10 1.70 2.47 -1.24 -4.42 119.74 121.14 3hwx s LYS 507 Ca 0.11 2.41 -0.06 0.00 -1.56 0.00 0.00 55.97 56.88 3hwx s LYS 507 Cb -0.10 -2.72 0.04 0.00 -1.46 0.00 0.00 37.83 33.58 3hwx s LYS 507 CO 0.01 -0.73 0.23 -0.47 0.16 0.00 0.00 175.35 174.55 3hwx s TYR 508 N -1.19 -0.29 -0.02 4.03 5.04 -1.26 -0.07 117.35 123.58 3hwx s TYR 508 Ca 0.59 0.71 0.03 0.00 -2.44 0.00 0.00 57.07 55.96 3hwx s TYR 508 Cb -0.44 0.05 -0.00 0.00 0.35 0.00 0.00 41.96 41.92 3hwx s TYR 508 CO 0.57 -0.20 -0.11 -1.01 -1.34 0.00 0.00 175.55 173.46 3hwx s HIS 509 N 0.93 1.09 -0.90 4.97 3.76 -1.03 -5.00 115.29 119.12 3hwx s HIS 509 Ca -0.07 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.53 3hwx s HIS 509 Cb -0.08 -0.75 0.22 0.00 1.11 0.00 0.00 32.58 33.08 3hwx s HIS 509 CO -0.06 -0.09 0.80 0.50 -0.85 0.00 0.00 174.74 175.04 3hwx s ARG 510 N 0.05 3.42 0.34 1.40 3.52 -1.26 -2.18 118.95 124.24 3hwx s ARG 510 Ca -0.01 -3.05 -0.27 0.00 -0.13 0.00 0.00 55.73 52.26 3hwx s ARG 510 Cb -0.08 -4.12 -0.09 0.00 -1.56 0.00 0.00 34.95 29.10 3hwx s ARG 510 CO 0.00 -1.25 1.08 -1.25 -0.81 0.00 0.00 175.30 173.07 3hwx s PRO 511 N -0.95 4.41 0.00 5.12 0.04 -1.24 -4.95 135.00 137.43 3hwx s PRO 511 Ca 0.25 1.67 0.14 0.00 0.04 0.00 0.00 61.00 63.11 3hwx s PRO 511 Cb -0.10 -2.89 0.21 0.00 0.04 0.00 0.00 34.50 31.75 3hwx s PRO 511 CO -0.10 0.04 1.08 1.04 0.04 0.00 0.00 177.00 179.11 3hwx n GLN 512 N 0.61 1.61 -3.61 4.56 6.02 -1.26 -4.77 117.38 120.53 3hwx n GLN 512 Ca 0.02 -1.64 -0.04 0.00 -0.01 0.00 0.00 57.00 55.33 3hwx n GLN 512 Cb 0.47 -1.30 -0.01 0.00 1.02 0.00 0.00 30.24 30.42 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 -1.13 -0.18 0.55 1.08 2.20 -1.26 -5.04 114.94 111.15 3hwx s ASN 513 Ca 0.21 -0.12 0.37 0.00 -0.94 0.00 0.00 52.86 52.38 3hwx s ASN 513 Cb 0.13 0.29 1.56 0.00 -2.00 0.00 0.00 41.25 41.23 3hwx s ASN 513 CO 0.19 -0.50 1.80 -0.50 -2.94 0.00 0.00 177.10 175.14 3hwx h TRP 514 N 2.00 0.00 -0.06 1.54 4.06 -1.95 0.43 115.95 121.98 3hwx h TRP 514 Ca -0.21 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.61 3hwx h TRP 514 Cb 1.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 3hwx h TRP 514 CO 0.31 0.00 -0.53 1.96 -3.56 0.00 0.00 178.44 176.61 3hwx h GLN 515 N 0.00 0.16 0.00 0.49 4.20 -1.99 -2.33 115.11 115.64 3hwx h GLN 515 Ca 0.57 -0.10 -0.28 0.00 0.06 0.00 0.00 58.65 58.91 3hwx h GLN 515 Cb 2.31 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 30.06 3hwx h GLN 515 CO -0.01 0.65 -1.59 0.93 -0.67 0.00 0.00 178.83 178.15 3hwx h GLU 516 N 0.12 0.00 -0.47 1.46 5.08 -0.56 -1.75 114.58 118.46 3hwx h GLU 516 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3hwx h GLU 516 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3hwx h GLU 516 CO 0.08 0.56 -0.14 1.25 -1.00 0.00 0.00 179.01 179.76 3hwx h LEU 517 N 0.00 0.90 0.01 1.33 5.85 -1.45 0.31 115.31 122.25 3hwx h LEU 517 Ca -0.24 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3hwx h LEU 517 Cb 1.96 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 3hwx h LEU 517 CO 0.09 1.04 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.89 3hwx h GLU 518 N 0.80 -0.01 0.19 1.25 5.08 -1.42 -1.32 114.58 119.14 3hwx h GLU 518 Ca 0.12 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hwx h GLU 518 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3hwx h GLU 518 CO 0.05 -0.01 -0.25 1.15 -1.00 0.00 0.00 179.01 178.95 3hwx h THR 519 N -0.01 0.46 -0.94 1.13 2.02 -1.20 -1.41 112.91 112.96 3hwx h THR 519 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 3hwx h THR 519 Cb 0.01 0.46 -0.18 0.00 -1.74 0.00 0.00 68.15 66.70 3hwx h THR 519 CO -0.00 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 3hwx h ALA 520 N 0.21 0.63 0.52 6.16 0.00 -0.16 0.35 119.26 126.97 3hwx h ALA 520 Ca 0.01 0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3hwx h ALA 520 Cb 0.48 0.71 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hwx h ALA 520 CO -0.09 -0.39 -0.25 0.74 0.00 0.00 0.00 179.25 179.26 3hwx h PHE 521 N 0.00 -0.64 -0.57 0.00 0.04 -0.97 -1.08 116.94 113.72 3hwx h PHE 521 Ca 0.45 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 61.32 3hwx h PHE 521 Cb 0.69 0.21 -0.11 0.00 2.20 0.00 0.00 35.95 38.94 3hwx h PHE 521 CO -0.73 -0.38 -0.26 0.00 -0.60 0.00 0.00 178.31 176.34 3hwx h ALA 522 N -0.27 0.12 -0.39 2.45 0.00 0.77 1.40 119.26 123.34 3hwx h ALA 522 Ca -0.07 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3hwx h ALA 522 Cb 0.55 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3hwx h ALA 522 CO 0.12 -0.58 0.09 0.22 0.00 0.00 0.00 179.25 179.10 3hwx h ASP 523 N -0.12 0.04 -0.33 0.00 3.58 -1.33 -3.35 116.42 114.91 3hwx h ASP 523 Ca 0.25 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.81 3hwx h ASP 523 Cb 0.51 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 3hwx h ASP 523 CO -0.64 0.06 0.08 0.00 -2.88 0.00 0.00 179.24 175.86 3hwx h ALA 524 N 1.29 0.36 0.00 -0.78 0.00 0.32 -2.62 119.26 117.83 3hwx h ALA 524 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hwx h ALA 524 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hwx h ALA 524 CO -0.23 -0.32 0.00 0.91 0.00 0.00 0.00 179.25 179.60 3hwx n TRP 525 N -5.07 0.00 0.33 0.00 5.03 -0.79 -3.83 117.44 113.11 3hwx n TRP 525 Ca 0.01 0.00 0.14 0.00 3.03 0.00 0.00 57.50 60.67 3hwx n TRP 525 Cb 0.14 0.00 0.39 0.00 -1.03 0.00 0.00 31.31 30.81 3hwx n TRP 525 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3hwx h ARG 526 N 0.00 0.00 -2.81 -0.99 3.08 -1.65 -3.46 114.38 108.54 3hwx h ARG 526 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3hwx h ARG 526 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.83 3hwx h ARG 526 CO 0.00 0.00 -0.23 0.95 -1.07 0.00 0.00 179.97 179.62 3hwx s THR 527 N -3.33 0.02 -0.85 2.04 -4.23 -1.25 -5.03 115.64 103.02 3hwx s THR 527 Ca 0.06 -0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 3hwx s THR 527 Cb 0.08 -0.61 -0.10 0.00 1.34 0.00 0.00 72.50 73.21 3hwx s THR 527 CO 0.59 -0.09 2.01 -0.81 -0.54 0.00 0.00 174.62 175.78 3hwx n PRO 528 N 2.20 1.80 -3.94 3.99 -0.04 -1.26 -3.62 135.00 134.12 3hwx n PRO 528 Ca -0.16 -1.66 -0.10 0.00 -0.04 0.00 0.00 63.50 61.54 3hwx n PRO 528 Cb 0.57 -2.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.23 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 4.19 0.10 0.36 0.52 -4.23 -1.26 -4.59 115.64 110.72 3hwx s THR 529 Ca 0.48 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 59.91 3hwx s THR 529 Cb 0.12 -0.30 -0.10 0.00 1.34 0.00 0.00 72.50 73.56 3hwx s THR 529 CO 0.04 -0.44 1.30 -0.89 -0.54 0.00 0.00 174.62 174.09 3hwx s THR 530 N -1.36 2.70 -0.04 3.99 2.01 -1.25 -2.84 115.64 118.85 3hwx s THR 530 Ca -0.15 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.53 3hwx s THR 530 Cb -0.09 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 69.03 3hwx s THR 530 CO -0.00 0.13 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.12 3hwx s THR 531 N -1.20 0.54 -0.21 -0.82 2.01 -0.52 -3.69 115.64 111.75 3hwx s THR 531 Ca 0.52 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 3hwx s THR 531 Cb -0.39 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 3hwx s THR 531 CO 0.51 0.21 0.14 -0.69 -0.69 0.00 0.00 174.62 174.11 3hwx s VAL 532 N 0.74 5.39 -0.25 3.82 1.01 0.91 -1.58 120.40 130.43 3hwx s VAL 532 Ca -0.10 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3hwx s VAL 532 Cb -0.13 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.81 3hwx s VAL 532 CO 0.00 0.41 -0.11 -0.63 0.00 0.00 0.00 175.10 174.77 3hwx s ILE 533 N 0.58 2.31 -0.32 2.22 1.01 0.65 -2.47 121.20 125.19 3hwx s ILE 533 Ca 0.08 -1.41 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 3hwx s ILE 533 Cb -0.12 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3hwx s ILE 533 CO 0.00 0.09 0.41 -0.70 0.00 0.00 0.00 174.94 174.75 3hwx s GLU 534 N 1.18 3.75 -0.42 2.79 2.12 -0.93 -0.67 118.70 126.53 3hwx s GLU 534 Ca -0.05 -0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.06 3hwx s GLU 534 Cb -0.18 -3.75 0.10 0.00 0.26 0.00 0.00 34.13 30.56 3hwx s GLU 534 CO -0.06 -0.46 0.24 1.41 -0.54 0.00 0.00 175.26 175.84 3hwx s MET 535 N 2.14 2.30 -0.10 4.30 -2.45 -0.73 -3.67 119.30 121.10 3hwx s MET 535 Ca 0.15 -1.68 -0.30 0.00 -1.25 0.00 0.00 55.69 52.62 3hwx s MET 535 Cb -0.16 -3.69 -0.01 0.00 1.25 0.00 0.00 34.83 32.22 3hwx s MET 535 CO 0.11 -1.04 1.03 0.08 1.05 0.00 0.00 175.02 176.25 3hwx s VAL 536 N 1.27 4.73 0.13 10.11 1.01 -1.26 -1.03 120.40 135.37 3hwx s VAL 536 Ca 0.05 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.07 3hwx s VAL 536 Cb -0.23 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3hwx s VAL 536 CO -0.02 0.01 -0.11 0.68 0.00 0.00 0.00 175.10 175.67 3hwx s VAL 537 N 1.99 1.13 0.23 2.92 -7.23 -0.30 -4.95 120.40 114.19 3hwx s VAL 537 Ca 0.49 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 3hwx s VAL 537 Cb -0.19 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 3hwx s VAL 537 CO 0.19 -0.67 1.43 0.20 -0.31 0.00 0.00 175.10 175.94 3hwx s ASN 538 N -2.92 6.68 0.13 4.85 0.01 -1.26 -4.30 114.94 118.13 3hwx s ASN 538 Ca 0.13 2.62 -0.19 0.00 -0.71 0.00 0.00 52.86 54.71 3hwx s ASN 538 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 3hwx s ASN 538 CO 0.01 -0.69 1.76 -2.24 -1.51 0.00 0.00 177.10 174.43 3hwx h ASP 539 N 5.24 0.16 1.37 -1.22 3.04 -1.93 -3.02 116.42 120.05 3hwx h ASP 539 Ca -0.45 0.01 -0.07 0.00 -3.24 0.00 0.00 57.03 53.27 3hwx h ASP 539 Cb 1.22 -0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 39.48 3hwx h ASP 539 CO 0.79 0.12 -0.66 0.71 -2.04 0.00 0.00 179.24 178.16 3hwx h THR 540 N 0.23 0.41 -0.71 1.15 1.35 -1.92 -3.41 112.91 110.01 3hwx h THR 540 Ca 0.09 -1.64 0.11 0.00 -0.55 0.00 0.00 66.41 64.42 3hwx h THR 540 Cb 0.02 2.07 -0.12 0.00 -1.73 0.00 0.00 68.15 68.39 3hwx h THR 540 CO -0.06 0.24 -0.26 0.47 -0.25 0.00 0.00 175.52 175.65 3hwx n ASP 541 N -3.02 -0.43 0.10 5.36 9.92 -1.14 -1.69 116.55 125.64 3hwx n ASP 541 Ca -0.00 1.23 -0.07 0.00 -0.53 0.00 0.00 54.79 55.43 3hwx n ASP 541 Cb 0.67 -0.30 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 3hwx n ASP 541 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3hwx h GLY 542 N 0.00 -0.95 0.15 0.44 0.00 -1.80 -1.36 103.07 99.55 3hwx h GLY 542 Ca 0.26 0.43 0.08 0.00 0.00 0.00 0.00 47.33 48.11 3hwx h GLY 542 CO -0.71 -0.32 -0.10 0.00 0.00 0.00 0.00 176.54 175.41 3hwx h ALA 543 N -1.40 0.28 -0.09 3.60 0.00 -1.64 -0.07 119.26 119.95 3hwx h ALA 543 Ca -0.02 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3hwx h ALA 543 Cb 0.32 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3hwx h ALA 543 CO -0.04 -0.45 -0.32 1.96 0.00 0.00 0.00 179.25 180.40 3hwx h GLN 544 N 0.00 -0.41 -0.95 0.00 4.20 -1.45 -1.17 115.11 115.33 3hwx h GLN 544 Ca 0.20 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.01 3hwx h GLN 544 Cb 0.31 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3hwx h GLN 544 CO -0.44 -0.27 0.62 1.15 -0.67 0.00 0.00 178.83 179.22 3hwx h THR 545 N -0.42 1.06 0.00 -0.54 2.02 0.15 0.32 112.91 115.51 3hwx h THR 545 Ca 0.08 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 3hwx h THR 545 Cb 0.55 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3hwx h THR 545 CO -0.32 0.20 -0.47 0.25 0.37 0.00 0.00 175.52 175.54 3hwx h LEU 546 N 1.08 0.00 0.00 2.58 5.85 -1.02 0.05 115.31 123.86 3hwx h LEU 546 Ca 0.42 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.01 3hwx h LEU 546 Cb 0.22 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hwx h LEU 546 CO -0.17 0.47 -0.49 1.56 -0.34 0.00 0.00 178.44 179.48 3hwx h GLN 547 N 0.00 0.32 0.17 1.25 4.20 0.62 -0.17 115.11 121.51 3hwx h GLN 547 Ca -0.00 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.37 3hwx h GLN 547 Cb 0.87 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3hwx h GLN 547 CO 0.06 1.05 -0.36 1.96 -0.67 0.00 0.00 178.83 180.87 3hwx h GLN 548 N -0.25 -0.60 -0.61 1.46 4.20 -0.45 0.36 115.11 119.22 3hwx h GLN 548 Ca -0.06 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.78 3hwx h GLN 548 Cb 1.22 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 3hwx h GLN 548 CO 0.10 -0.40 0.41 -0.07 -0.67 0.00 0.00 178.83 178.19 3hwx h LEU 549 N -0.62 0.41 -0.35 1.46 3.38 -1.02 0.68 115.31 119.24 3hwx h LEU 549 Ca 0.02 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hwx h LEU 549 Cb 0.63 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3hwx h LEU 549 CO -0.18 0.25 0.16 0.25 0.09 0.00 0.00 178.44 179.02 3hwx h LEU 550 N 0.45 0.23 0.03 1.67 7.12 0.91 -0.62 115.31 125.10 3hwx h LEU 550 Ca 0.28 0.02 -0.25 0.00 0.13 0.00 0.00 57.88 58.06 3hwx h LEU 550 Cb 0.49 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3hwx h LEU 550 CO -0.08 0.17 -1.12 0.00 -0.13 0.00 0.00 178.44 177.28 3hwx h ALA 551 N 1.19 0.22 -0.30 1.25 0.00 -0.21 -2.85 119.26 118.56 3hwx h ALA 551 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3hwx h ALA 551 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hwx h ALA 551 CO -0.12 1.01 0.20 0.37 0.00 0.00 0.00 179.25 180.71 3hwx h GLN 552 N 0.07 0.40 0.00 0.00 4.15 -0.68 -1.91 115.11 117.15 3hwx h GLN 552 Ca -0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 3hwx h GLN 552 Cb 1.84 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 29.44 3hwx h GLN 552 CO 0.18 0.28 -0.12 0.28 -1.93 0.00 0.00 178.83 177.51 3hwx h VAL 553 N 0.41 0.38 0.00 2.39 2.07 -1.19 -3.18 116.25 117.12 3hwx h VAL 553 Ca 0.11 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 3hwx h VAL 553 Cb -0.04 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3hwx h VAL 553 CO -0.02 0.12 -0.37 0.77 0.02 0.00 0.00 177.57 178.09 3hwx h SER 554 N 0.00 0.00 -0.02 0.57 4.64 -1.09 -3.13 113.55 114.51 3hwx h SER 554 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwx h SER 554 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hwx h SER 554 CO 0.02 0.37 0.00 1.41 -0.87 0.00 0.00 176.83 177.75 3hwx n HIS 555 N -3.37 0.01 0.55 4.77 8.25 -1.14 -4.54 115.22 119.76 3hwx n HIS 555 Ca 0.01 -0.01 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3hwx n HIS 555 Cb 0.57 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.94 3hwx n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26