#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwx s SER 2 N 0.00 5.14 0.17 7.83 0.15 -1.26 -4.85 113.70 120.88 3hwx s SER 2 Ca 0.00 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 3hwx s SER 2 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 3hwx s SER 2 CO 0.00 -2.56 1.70 0.58 1.20 0.00 0.00 173.24 174.16 3hwx h VAL 3 N 7.07 0.71 0.00 4.45 2.07 -1.98 -2.50 116.25 126.07 3hwx h VAL 3 Ca -0.15 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hwx h VAL 3 Cb 1.12 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hwx h VAL 3 CO 1.21 0.02 0.00 -0.24 0.02 0.00 0.00 177.57 178.58 3hwx n SER 4 N -5.17 0.00 -0.21 0.57 2.88 -1.25 -0.37 113.62 110.07 3hwx n SER 4 Ca 0.03 0.44 -0.02 0.00 -1.33 0.00 0.00 58.87 57.99 3hwx n SER 4 Cb 0.21 -0.16 0.05 0.00 -0.75 0.00 0.00 64.21 63.56 3hwx n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hwx h ALA 5 N -0.80 0.29 -0.72 -1.46 0.00 -1.82 -0.98 119.26 113.77 3hwx h ALA 5 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hwx h ALA 5 Cb 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hwx h ALA 5 CO 0.00 -0.50 0.37 0.35 0.00 0.00 0.00 179.25 179.47 3hwx h PHE 6 N -0.06 0.99 -0.86 0.00 3.57 -1.02 -2.35 116.94 117.21 3hwx h PHE 6 Ca 0.29 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3hwx h PHE 6 Cb 0.51 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3hwx h PHE 6 CO -0.56 0.70 0.55 -0.91 -2.23 0.00 0.00 178.31 175.86 3hwx h ASN 7 N 1.01 1.00 0.14 0.41 2.35 0.63 -1.86 115.58 119.26 3hwx h ASN 7 Ca 0.25 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3hwx h ASN 7 Cb 0.06 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3hwx h ASN 7 CO -0.04 0.74 -0.07 0.03 -1.65 0.00 0.00 177.43 176.44 3hwx h ARG 8 N 1.17 -0.18 -0.60 0.81 3.08 -0.92 -1.90 114.38 115.83 3hwx h ARG 8 Ca 0.31 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 3hwx h ARG 8 Cb -0.10 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3hwx h ARG 8 CO -0.06 -0.01 0.09 0.00 -1.07 0.00 0.00 179.97 178.92 3hwx h ARG 9 N -0.33 0.98 -0.16 0.04 2.47 -1.07 0.22 114.38 116.53 3hwx h ARG 9 Ca -0.02 -0.25 0.05 0.00 -1.26 0.00 0.00 59.98 58.50 3hwx h ARG 9 Cb 0.26 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.39 3hwx h ARG 9 CO 0.03 0.91 -0.33 2.35 0.56 0.00 0.00 179.97 183.49 3hwx h TRP 10 N 0.92 -0.92 0.33 3.04 2.91 -1.42 0.20 115.95 121.00 3hwx h TRP 10 Ca 0.19 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 3hwx h TRP 10 Cb 0.41 0.43 -0.01 0.00 -0.51 0.00 0.00 29.16 29.48 3hwx h TRP 10 CO 0.03 -0.40 -0.22 0.00 -1.03 0.00 0.00 178.44 176.81 3hwx h ALA 11 N 0.43 -0.52 -0.64 2.65 0.00 -0.12 0.42 119.26 121.47 3hwx h ALA 11 Ca 0.10 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.10 3hwx h ALA 11 Cb 0.55 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hwx h ALA 11 CO -0.38 -0.81 0.47 0.00 0.00 0.00 0.00 179.25 178.54 3hwx h ALA 12 N 0.11 2.59 0.61 0.00 0.00 -0.58 -0.44 119.26 121.56 3hwx h ALA 12 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 12 Cb 0.45 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hwx h ALA 12 CO 0.02 -0.80 -0.29 0.28 0.00 0.00 0.00 179.25 178.45 3hwx h VAL 13 N 0.00 0.00 -0.90 0.00 2.07 0.15 -2.40 116.25 115.18 3hwx h VAL 13 Ca 0.31 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3hwx h VAL 13 Cb 1.25 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 3hwx h VAL 13 CO -0.00 0.00 -0.52 -0.38 0.02 0.00 0.00 177.57 176.68 3hwx n ILE 14 N -4.85 -0.61 -0.36 4.57 5.41 -0.31 -1.79 119.36 121.42 3hwx n ILE 14 Ca -0.10 2.17 -0.00 0.00 1.00 0.00 0.00 62.75 65.82 3hwx n ILE 14 Cb 0.32 -2.69 0.14 0.00 -0.71 0.00 0.00 39.64 36.70 3hwx n ILE 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hwx h LEU 15 N 0.00 1.06 -0.23 1.39 4.07 -1.26 -3.07 115.31 117.27 3hwx h LEU 15 Ca 0.15 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 3hwx h LEU 15 Cb 0.37 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3hwx h LEU 15 CO -0.85 0.72 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.11 3hwx h GLU 16 N 1.23 0.45 -1.05 1.13 4.57 -0.85 -2.91 114.58 117.15 3hwx h GLU 16 Ca 0.39 -0.17 0.28 0.00 -1.18 0.00 0.00 59.36 58.68 3hwx h GLU 16 Cb 0.01 -0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.46 3hwx h GLU 16 CO -0.13 0.67 0.65 0.00 -1.18 0.00 0.00 179.01 179.03 3hwx h ALA 17 N 0.76 2.10 -0.36 2.92 0.00 -1.26 0.14 119.26 123.56 3hwx h ALA 17 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hwx h ALA 17 Cb 0.50 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hwx h ALA 17 CO 0.02 -0.57 0.11 -0.07 0.00 0.00 0.00 179.25 178.74 3hwx h LEU 18 N 0.42 0.48 -2.06 0.00 3.38 -1.43 -1.75 115.31 114.35 3hwx h LEU 18 Ca 0.65 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.66 3hwx h LEU 18 Cb 1.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3hwx h LEU 18 CO -0.40 0.47 0.35 0.74 0.09 0.00 0.00 178.44 179.69 3hwx h THR 19 N 0.52 0.50 -0.36 0.22 2.02 -0.67 0.73 112.91 115.86 3hwx h THR 19 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3hwx h THR 19 Cb 0.17 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3hwx h THR 19 CO -0.01 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.42 3hwx n ARG 20 N -3.92 2.49 -0.63 6.66 5.12 -0.66 -3.87 116.66 121.86 3hwx n ARG 20 Ca 0.06 -1.57 0.05 0.00 -1.93 0.00 0.00 57.85 54.45 3hwx n ARG 20 Cb 0.52 -1.60 0.08 0.00 -1.16 0.00 0.00 32.46 30.30 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hwx n HIS 21 N 0.52 0.00 -0.91 -1.55 8.25 0.25 -4.25 115.22 117.52 3hwx n HIS 21 Ca 0.14 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3hwx n HIS 21 Cb 0.54 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.48 0.56 3.63 -1.41 0.00 -1.24 -4.62 105.19 101.63 3hwx n GLY 22 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.08 3.96 -0.10 1.61 1.01 -1.22 -4.42 120.40 119.16 3hwx s VAL 23 Ca 0.00 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 3hwx s VAL 23 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3hwx s VAL 23 CO 0.00 -0.44 -0.10 -1.14 0.00 0.00 0.00 175.10 173.42 3hwx n ARG 24 N 7.52 0.25 -4.19 2.72 0.00 -1.26 -4.63 116.66 117.08 3hwx n ARG 24 Ca 0.16 0.06 -0.33 0.00 -0.00 0.00 0.00 57.85 57.75 3hwx n ARG 24 Cb 0.46 -1.15 -0.08 0.00 0.00 0.00 0.00 32.46 31.69 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 -2.20 3.20 -0.01 -0.14 3.76 -1.26 -0.27 115.29 118.37 3hwx s HIS 25 Ca -0.14 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 3hwx s HIS 25 Cb 0.04 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 32.01 3hwx s HIS 25 CO 0.23 0.52 -0.05 -1.50 -0.85 0.00 0.00 174.74 173.08 3hwx s ILE 26 N -1.12 0.43 -0.12 0.60 2.07 -0.62 -1.39 121.20 121.04 3hwx s ILE 26 Ca 0.21 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 3hwx s ILE 26 Cb -0.12 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 3hwx s ILE 26 CO 0.11 0.14 -0.19 0.00 -1.91 0.00 0.00 174.94 173.09 3hwx s ILE 28 N 0.49 0.33 0.01 0.00 1.01 -0.00 0.21 121.20 123.24 3hwx s ILE 28 Ca -0.13 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3hwx s ILE 28 Cb -0.17 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3hwx s ILE 28 CO 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 174.94 175.21 3hwx s ALA 29 N 1.61 3.24 0.81 9.38 0.00 -0.64 -2.83 121.76 133.34 3hwx s ALA 29 Ca -0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 3hwx s ALA 29 Cb -0.13 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3hwx s ALA 29 CO -0.03 0.65 0.62 -0.35 0.00 0.00 0.00 175.76 176.64 3hwx n PRO 30 N 1.34 0.11 0.00 0.00 -0.04 -1.26 -4.57 135.00 130.58 3hwx n PRO 30 Ca -0.14 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3hwx n PRO 30 Cb 0.53 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3hwx n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hwx n GLY 31 N 1.40 2.48 0.11 0.55 0.00 -1.26 -4.53 105.19 103.94 3hwx n GLY 31 Ca 0.10 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 3hwx n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hwx n SER 32 N 0.00 1.89 0.05 1.61 2.88 -1.26 -3.93 113.62 114.86 3hwx n SER 32 Ca 0.00 0.43 0.03 0.00 -1.33 0.00 0.00 58.87 58.00 3hwx n SER 32 Cb 0.00 -0.88 0.15 0.00 -0.75 0.00 0.00 64.21 62.73 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 -4.42 0.04 -0.01 -1.46 3.00 -1.26 0.16 116.66 112.71 3hwx n ARG 33 Ca -0.32 0.45 0.10 0.00 -0.00 0.00 0.00 57.85 58.08 3hwx n ARG 33 Cb 0.65 -1.76 -0.14 0.00 0.00 0.00 0.00 32.46 31.21 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 -1.63 0.50 -0.08 6.15 3.41 -1.26 -4.53 113.62 116.18 3hwx n SER 34 Ca -0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 3hwx n SER 34 Cb 0.15 1.56 0.01 0.00 -0.26 0.00 0.00 64.21 65.67 3hwx n SER 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hwx n THR 35 N -1.92 -0.11 -0.18 6.66 -1.04 0.12 0.40 114.28 118.22 3hwx n THR 35 Ca -0.01 0.51 -0.05 0.00 -2.04 0.00 0.00 64.05 62.46 3hwx n THR 35 Cb 0.45 -0.67 0.05 0.00 -1.82 0.00 0.00 70.33 68.34 3hwx n THR 35 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hwx h LEU 36 N 0.00 0.50 -0.26 -4.42 -0.00 -1.80 -2.16 115.31 107.17 3hwx h LEU 36 Ca 0.08 0.01 -0.21 0.00 -0.00 0.00 0.00 57.88 57.76 3hwx h LEU 36 Cb 0.14 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 3hwx h LEU 36 CO -0.22 0.35 -0.85 -0.07 -0.00 0.00 0.00 178.44 177.65 3hwx h LEU 37 N 0.62 0.52 0.29 1.67 3.38 -0.39 -2.40 115.31 119.00 3hwx h LEU 37 Ca 0.22 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hwx h LEU 37 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hwx h LEU 37 CO -0.11 1.16 -0.14 0.74 0.09 0.00 0.00 178.44 180.18 3hwx h THR 38 N 0.26 0.00 -0.56 0.22 2.02 -1.16 0.15 112.91 113.83 3hwx h THR 38 Ca -0.06 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.08 3hwx h THR 38 Cb 1.46 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 3hwx h THR 38 CO 0.15 0.00 -0.33 0.18 0.37 0.00 0.00 175.52 175.89 3hwx n LEU 39 N -3.31 -0.60 -0.25 2.58 7.99 -0.83 0.75 117.00 123.33 3hwx n LEU 39 Ca -0.05 1.14 0.05 0.00 -0.01 0.00 0.00 56.01 57.14 3hwx n LEU 39 Cb 0.15 -0.20 0.17 0.00 -0.11 0.00 0.00 43.42 43.43 3hwx n LEU 39 CO 0.12 -0.88 0.85 0.00 -1.51 0.00 0.00 177.39 175.97 3hwx h ALA 40 N 0.14 0.83 -0.29 -1.18 0.00 -1.42 -0.70 119.26 116.64 3hwx h ALA 40 Ca 0.09 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3hwx h ALA 40 Cb 0.23 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hwx h ALA 40 CO -0.53 -0.41 -0.41 0.00 0.00 0.00 0.00 179.25 177.90 3hwx h ALA 41 N 1.68 0.45 -0.11 0.00 0.00 0.28 -3.06 119.26 118.50 3hwx h ALA 41 Ca 0.41 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 41 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hwx h ALA 41 CO -0.62 0.56 -0.52 0.00 0.00 0.00 0.00 179.25 178.67 3hwx h ALA 42 N 0.69 0.92 -0.00 0.00 0.00 0.11 -2.81 119.26 118.16 3hwx h ALA 42 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hwx h ALA 42 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hwx h ALA 42 CO 0.10 0.67 -0.03 0.39 0.00 0.00 0.00 179.25 180.38 3hwx n GLU 43 N -3.94 0.36 -3.41 0.00 1.02 -0.34 -4.68 120.64 109.65 3hwx n GLU 43 Ca -0.02 -0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.69 3hwx n GLU 43 Cb 0.56 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.66 6.20 -0.14 1.62 3.84 -1.06 -4.95 114.94 117.79 3hwx s ASN 44 Ca 0.25 0.04 0.11 0.00 0.21 0.00 0.00 52.86 53.47 3hwx s ASN 44 Cb 0.20 -2.20 0.57 0.00 -0.55 0.00 0.00 41.25 39.27 3hwx s ASN 44 CO 0.49 -0.24 1.39 -1.54 -2.79 0.00 0.00 177.10 174.40 3hwx n SER 45 N 5.34 4.11 0.00 -4.21 3.41 -1.26 -2.80 113.62 118.22 3hwx n SER 45 Ca -0.09 -2.55 0.13 0.00 -0.26 0.00 0.00 58.87 56.10 3hwx n SER 45 Cb 0.50 -0.59 0.46 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.55 2.82 -2.80 7.33 0.00 -1.26 -4.93 120.51 122.22 3hwx n ALA 46 Ca 0.19 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3hwx n ALA 46 Cb 0.84 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.01 3.32 -0.24 0.00 0.08 -1.12 -4.73 117.98 112.28 3hwx s PHE 47 Ca 0.13 0.22 -0.15 0.00 0.12 0.00 0.00 56.93 57.25 3hwx s PHE 47 Cb 0.18 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 3hwx s PHE 47 CO 0.60 0.56 0.36 0.42 -0.10 0.00 0.00 175.22 177.07 3hwx s ILE 48 N -1.24 5.20 -0.18 0.64 1.01 0.63 -5.00 121.20 122.26 3hwx s ILE 48 Ca 0.24 0.58 -0.09 0.00 0.00 0.00 0.00 60.65 61.38 3hwx s ILE 48 Cb -0.12 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3hwx s ILE 48 CO 0.16 0.21 0.11 -1.00 0.00 0.00 0.00 174.94 174.42 3hwx s HIS 49 N 1.70 3.40 -0.09 3.97 3.76 -1.26 -1.58 115.29 125.19 3hwx s HIS 49 Ca 0.16 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.38 3hwx s HIS 49 Cb -0.15 -2.10 0.02 0.00 1.11 0.00 0.00 32.58 31.46 3hwx s HIS 49 CO 0.09 0.33 -0.12 -1.01 -0.85 0.00 0.00 174.74 173.18 3hwx s HIS 50 N 0.11 1.63 0.06 1.40 3.76 -0.86 -5.00 115.29 116.40 3hwx s HIS 50 Ca 0.08 -0.72 0.05 0.00 -0.15 0.00 0.00 55.06 54.32 3hwx s HIS 50 Cb -0.11 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 3hwx s HIS 50 CO -0.01 -0.40 -0.07 0.95 -0.85 0.00 0.00 174.74 174.36 3hwx s THR 51 N 1.04 3.61 -0.20 1.30 -4.23 -1.26 -0.82 115.64 115.08 3hwx s THR 51 Ca -0.07 -1.02 -0.23 0.00 -1.18 0.00 0.00 61.69 59.19 3hwx s THR 51 Cb -0.15 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.11 3hwx s THR 51 CO -0.01 0.22 0.63 -2.28 -0.54 0.00 0.00 174.62 172.64 3hwx s HIS 52 N -1.15 -0.67 -0.19 3.99 5.04 -1.13 -4.96 115.29 116.22 3hwx s HIS 52 Ca 0.21 1.57 0.19 0.00 -1.54 0.00 0.00 55.06 55.48 3hwx s HIS 52 Cb -0.11 0.26 0.29 0.00 0.04 0.00 0.00 32.58 33.06 3hwx s HIS 52 CO 0.12 -0.38 1.56 0.27 -2.34 0.00 0.00 174.74 173.97 3hwx h PHE 53 N 4.76 0.00 -3.63 3.88 -5.15 -1.99 -3.39 116.94 111.42 3hwx h PHE 53 Ca -0.28 0.00 -0.62 0.00 -0.20 0.00 0.00 57.97 56.87 3hwx h PHE 53 Cb 1.16 0.00 -0.14 0.00 0.22 0.00 0.00 35.95 37.19 3hwx h PHE 53 CO 0.40 0.31 -0.30 0.34 -2.00 0.00 0.00 178.31 177.06 3hwx s ASP 54 N -6.34 6.27 0.35 -0.68 -1.08 -1.26 -4.87 116.67 109.06 3hwx s ASP 54 Ca 0.04 0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.56 3hwx s ASP 54 Cb 0.07 -2.19 0.29 0.00 -1.46 0.00 0.00 42.92 39.64 3hwx s ASP 54 CO 0.70 -0.09 1.55 -0.33 0.52 0.00 0.00 175.17 177.53 3hwx h GLU 55 N 7.79 0.00 -0.02 4.34 3.07 -1.91 0.67 114.58 128.53 3hwx h GLU 55 Ca -0.35 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.42 3hwx h GLU 55 Cb 1.17 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.08 3hwx h GLU 55 CO 0.66 0.34 -0.34 -0.09 -1.40 0.00 0.00 179.01 178.18 3hwx h ARG 56 N 0.00 0.27 -0.26 2.33 2.43 -1.91 -1.47 114.38 115.76 3hwx h ARG 56 Ca -0.00 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3hwx h ARG 56 Cb 1.18 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 3hwx h ARG 56 CO 0.04 0.95 0.05 0.78 -1.51 0.00 0.00 179.97 180.29 3hwx h GLY 57 N -0.32 0.30 1.61 2.80 0.00 -1.83 -2.25 103.07 103.37 3hwx h GLY 57 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3hwx h GLY 57 CO 0.07 -0.00 0.24 -2.00 0.00 0.00 0.00 176.54 174.84 3hwx h LEU 58 N 0.16 0.38 -0.42 3.11 5.85 -0.82 0.44 115.31 124.01 3hwx h LEU 58 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hwx h LEU 58 Cb 0.12 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3hwx h LEU 58 CO -0.15 0.27 0.24 1.23 -0.34 0.00 0.00 178.44 179.69 3hwx h GLY 59 N 0.44 0.61 2.00 3.75 0.00 -0.68 -0.65 103.07 108.54 3hwx h GLY 59 Ca 0.14 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3hwx h GLY 59 CO -0.03 0.25 -0.53 0.45 0.00 0.00 0.00 176.54 176.69 3hwx h HIS 60 N 0.54 0.00 -0.18 5.60 3.86 -0.79 -1.08 115.15 123.10 3hwx h HIS 60 Ca 0.15 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3hwx h HIS 60 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3hwx h HIS 60 CO -0.03 0.53 0.11 1.25 0.86 0.00 0.00 177.93 180.64 3hwx h LEU 61 N 0.00 0.18 -0.26 2.43 5.85 0.07 -1.43 115.31 122.15 3hwx h LEU 61 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hwx h LEU 61 Cb 1.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3hwx h LEU 61 CO 0.07 0.13 0.15 0.00 -0.34 0.00 0.00 178.44 178.45 3hwx h ALA 62 N 1.08 0.33 -0.53 1.25 0.00 -0.08 -2.17 119.26 119.14 3hwx h ALA 62 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hwx h ALA 62 Cb -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 3hwx h ALA 62 CO -0.03 -0.15 -0.52 1.25 0.00 0.00 0.00 179.25 179.80 3hwx h LEU 63 N 0.32 -1.79 -0.52 0.00 5.85 -1.21 0.38 115.31 118.34 3hwx h LEU 63 Ca 0.09 0.26 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3hwx h LEU 63 Cb 0.04 0.76 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3hwx h LEU 63 CO -0.02 -0.36 0.33 1.23 -0.34 0.00 0.00 178.44 179.28 3hwx h GLY 64 N -0.30 0.73 1.40 3.75 0.00 -0.91 0.17 103.07 107.92 3hwx h GLY 64 Ca 0.12 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3hwx h GLY 64 CO -0.67 0.24 0.37 1.41 0.00 0.00 0.00 176.54 177.89 3hwx h LEU 65 N 0.67 0.60 0.00 3.11 3.38 -0.95 -2.15 115.31 119.97 3hwx h LEU 65 Ca 0.20 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3hwx h LEU 65 Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3hwx h LEU 65 CO -0.06 0.43 -0.77 0.00 0.09 0.00 0.00 178.44 178.13 3hwx h ALA 66 N 1.66 0.55 -0.21 1.53 0.00 -0.28 -2.15 119.26 120.37 3hwx h ALA 66 Ca 0.21 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3hwx h ALA 66 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hwx h ALA 66 CO -0.05 0.91 -0.46 -0.22 0.00 0.00 0.00 179.25 179.42 3hwx h LYS 67 N 0.00 0.68 0.05 0.00 3.64 -0.18 -1.59 116.57 119.16 3hwx h LYS 67 Ca -0.02 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3hwx h LYS 67 Cb 1.56 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3hwx h LYS 67 CO 0.09 1.07 -0.02 0.28 -2.27 0.00 0.00 179.45 178.60 3hwx h VAL 68 N 0.38 1.22 -0.01 2.00 2.07 -1.46 -3.38 116.25 117.07 3hwx h VAL 68 Ca 0.00 -1.66 -0.15 0.00 0.82 0.00 0.00 66.70 65.72 3hwx h VAL 68 Cb 1.07 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 3hwx h VAL 68 CO 0.10 0.37 -0.69 0.77 0.02 0.00 0.00 177.57 178.14 3hwx h SER 69 N -0.90 0.03 -0.19 0.57 4.64 -1.47 -3.48 113.55 112.76 3hwx h SER 69 Ca -0.01 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3hwx h SER 69 Cb 0.66 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 3hwx h SER 69 CO 0.01 0.71 -0.08 0.29 -0.87 0.00 0.00 176.83 176.90 3hwx n LYS 70 N -3.73 -1.33 -3.23 4.77 4.76 -0.60 -5.01 118.16 113.79 3hwx n LYS 70 Ca -0.01 0.54 -0.28 0.00 -2.87 0.00 0.00 58.31 55.69 3hwx n LYS 70 Cb 0.68 -4.63 -0.03 0.00 -1.84 0.00 0.00 35.03 29.21 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 -1.93 3.61 0.16 1.97 -0.21 -1.26 -4.98 119.66 117.02 3hwx s GLN 71 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 55.36 55.09 3hwx s GLN 71 Cb 0.00 -2.60 -0.08 0.00 1.00 0.00 0.00 33.01 31.33 3hwx s GLN 71 CO 0.00 0.14 1.36 -1.25 -2.12 0.00 0.00 175.29 173.42 3hwx s PRO 72 N -3.81 4.34 -0.09 2.91 0.04 -1.26 -4.60 135.00 132.53 3hwx s PRO 72 Ca 0.44 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.57 3hwx s PRO 72 Cb -0.10 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3hwx s PRO 72 CO 0.32 -0.36 -0.10 0.08 0.04 0.00 0.00 177.00 176.98 3hwx s VAL 73 N 0.63 3.35 0.06 -0.36 1.01 -0.81 -4.03 120.40 120.26 3hwx s VAL 73 Ca 0.61 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3hwx s VAL 73 Cb -0.37 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3hwx s VAL 73 CO 0.34 0.56 0.14 0.00 0.00 0.00 0.00 175.10 176.15 3hwx s ALA 74 N -0.28 3.79 0.00 5.51 0.00 -0.49 -0.64 121.76 129.65 3hwx s ALA 74 Ca 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3hwx s ALA 74 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 3hwx s ALA 74 CO 0.03 0.78 -0.15 0.08 0.00 0.00 0.00 175.76 176.51 3hwx s VAL 75 N -1.43 1.15 -0.08 0.00 1.01 0.80 0.25 120.40 122.08 3hwx s VAL 75 Ca 0.32 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3hwx s VAL 75 Cb -0.13 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.29 3hwx s VAL 75 CO 0.24 0.24 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 3hwx s ILE 76 N -0.47 1.20 0.16 2.22 1.01 0.56 -1.04 121.20 124.84 3hwx s ILE 76 Ca 0.05 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3hwx s ILE 76 Cb -0.06 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3hwx s ILE 76 CO -0.00 0.38 -0.12 0.68 0.00 0.00 0.00 174.94 175.88 3hwx s VAL 77 N 0.95 1.34 0.75 2.92 -7.23 -1.09 -1.62 120.40 116.42 3hwx s VAL 77 Ca -0.09 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 57.90 3hwx s VAL 77 Cb -0.15 -1.89 0.07 0.00 0.56 0.00 0.00 36.38 34.98 3hwx s VAL 77 CO 0.00 -0.69 1.09 0.28 -0.31 0.00 0.00 175.10 175.47 3hwx s THR 78 N -3.17 2.15 0.79 5.32 -1.32 -1.26 -1.20 115.64 116.95 3hwx s THR 78 Ca 0.18 -0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 3hwx s THR 78 Cb 0.01 -3.00 0.07 0.00 -1.51 0.00 0.00 72.50 68.08 3hwx s THR 78 CO 0.02 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.59 3hwx s SER 79 N -4.56 4.32 0.00 8.08 1.04 -1.16 -3.79 113.70 117.63 3hwx s SER 79 Ca 0.61 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.86 3hwx s SER 79 Cb -0.11 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3hwx s SER 79 CO 0.47 -2.15 0.00 0.61 0.98 0.00 0.00 173.24 173.14 3hwx n GLY 80 N -1.11 -1.70 0.41 7.32 0.00 -1.26 -4.54 105.19 104.31 3hwx n GLY 80 Ca 0.09 -2.02 0.23 0.00 0.00 0.00 0.00 46.02 44.32 3hwx n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hwx h THR 81 N 0.00 0.64 -0.85 2.61 1.35 -1.94 1.78 112.91 116.50 3hwx h THR 81 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 3hwx h THR 81 Cb 0.00 0.67 -0.11 0.00 -1.73 0.00 0.00 68.15 66.98 3hwx h THR 81 CO 0.00 0.00 -0.49 0.00 -0.25 0.00 0.00 175.52 174.78 3hwx n ALA 82 N -2.63 -0.50 0.25 6.62 0.00 -1.26 -0.79 120.51 122.20 3hwx n ALA 82 Ca 0.12 0.74 -0.16 0.00 0.00 0.00 0.00 53.44 54.14 3hwx n ALA 82 Cb 0.72 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 3hwx n ALA 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hwx h VAL 83 N 0.00 0.42 -1.16 0.00 2.07 0.26 -1.51 116.25 116.33 3hwx h VAL 83 Ca 0.15 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.01 3hwx h VAL 83 Cb 0.37 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3hwx h VAL 83 CO -0.81 0.00 0.83 0.00 0.02 0.00 0.00 177.57 177.62 3hwx h ALA 84 N -0.16 3.09 0.00 1.67 0.00 -1.28 -0.96 119.26 121.63 3hwx h ALA 84 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 84 Cb 0.57 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hwx h ALA 84 CO 0.03 -1.42 0.00 -0.91 0.00 0.00 0.00 179.25 176.94 3hwx h ASN 85 N 0.01 0.00 0.54 0.00 2.35 0.14 -2.39 115.58 116.23 3hwx h ASN 85 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 3hwx h ASN 85 Cb 2.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.58 3hwx h ASN 85 CO -0.01 0.00 -0.03 0.18 -1.65 0.00 0.00 177.43 175.92 3hwx n LEU 86 N -2.73 0.09 0.02 1.61 4.77 -0.36 -3.64 117.00 116.76 3hwx n LEU 86 Ca 0.01 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3hwx n LEU 86 Cb 0.25 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3hwx n LEU 86 CO 0.23 0.02 0.85 0.22 -1.33 0.00 0.00 177.39 177.38 3hwx h TYR 87 N 0.10 -0.05 0.60 -1.77 5.03 -1.59 -0.01 116.97 119.28 3hwx h TYR 87 Ca 0.00 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 3hwx h TYR 87 Cb 0.31 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.62 3hwx h TYR 87 CO 0.00 -0.04 -0.36 -1.35 -1.32 0.00 0.00 178.16 175.09 3hwx h PRO 88 N -0.02 -0.86 -0.99 1.82 0.11 -1.83 0.42 132.00 130.65 3hwx h PRO 88 Ca 0.03 0.06 0.30 0.00 0.11 0.00 0.00 66.00 66.50 3hwx h PRO 88 Cb 0.06 0.20 -0.18 0.00 0.11 0.00 0.00 31.00 31.18 3hwx h PRO 88 CO -0.06 -0.57 0.13 0.00 -0.21 0.00 0.00 178.00 177.28 3hwx h ALA 89 N -1.40 1.37 -0.70 -0.75 0.00 -1.86 1.00 119.26 116.92 3hwx h ALA 89 Ca -0.08 0.33 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hwx h ALA 89 Cb 0.71 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hwx h ALA 89 CO 0.09 -0.65 0.22 1.25 0.00 0.00 0.00 179.25 180.16 3hwx h LEU 90 N 0.01 1.00 -0.75 0.00 5.85 0.73 -1.17 115.31 120.98 3hwx h LEU 90 Ca 0.65 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 59.06 3hwx h LEU 90 Cb 1.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3hwx h LEU 90 CO -0.89 0.93 -0.61 0.40 -0.34 0.00 0.00 178.44 177.93 3hwx h ILE 91 N 1.04 1.43 -0.22 4.05 2.04 0.53 0.29 117.51 126.67 3hwx h ILE 91 Ca 0.23 -2.07 -0.20 0.00 1.00 0.00 0.00 64.86 63.82 3hwx h ILE 91 Cb 0.29 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3hwx h ILE 91 CO -0.01 0.60 -0.64 -0.08 0.00 0.00 0.00 178.15 178.02 3hwx h GLU 92 N 0.04 0.78 -0.27 2.37 4.57 -0.64 -2.82 114.58 118.62 3hwx h GLU 92 Ca -0.01 -0.55 -0.09 0.00 -1.18 0.00 0.00 59.36 57.54 3hwx h GLU 92 Cb 1.09 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3hwx h GLU 92 CO 0.08 1.17 -0.21 0.00 -1.18 0.00 0.00 179.01 178.87 3hwx h ALA 93 N 0.70 1.13 0.00 2.92 0.00 -0.96 0.94 119.26 123.98 3hwx h ALA 93 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hwx h ALA 93 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hwx h ALA 93 CO 0.13 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.71 3hwx h GLY 94 N 0.99 0.00 0.08 0.00 0.00 -0.72 0.09 103.07 103.52 3hwx h GLY 94 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.00 3hwx h GLY 94 CO 0.04 0.00 -2.30 1.04 0.00 0.00 0.00 176.54 175.32 3hwx n LEU 95 N -2.66 2.42 -0.03 3.11 4.77 0.07 -4.69 117.00 120.00 3hwx n LEU 95 Ca -0.00 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 3hwx n LEU 95 Cb 0.18 -0.91 -0.14 0.00 -2.33 0.00 0.00 43.42 40.22 3hwx n LEU 95 CO 0.20 0.72 -0.58 0.35 -1.33 0.00 0.00 177.39 176.74 3hwx n THR 96 N -3.80 1.60 0.00 -5.08 -2.24 0.10 -5.00 114.28 99.86 3hwx n THR 96 Ca -0.46 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 3hwx n THR 96 Cb 0.92 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3hwx n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 97 N 1.58 2.20 3.38 3.38 0.00 0.01 -4.97 105.19 110.76 3hwx n GLY 97 Ca -0.19 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.03 0.00 -3.09 1.61 4.71 -1.26 0.57 120.64 123.16 3hwx n GLU 98 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.71 3hwx n GLU 98 Cb 0.00 -1.19 -0.06 0.00 -1.01 0.00 0.00 31.44 29.19 3hwx n GLU 98 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3hwx s LYS 99 N -0.57 3.15 -0.21 3.49 1.02 -1.26 -2.21 119.74 123.15 3hwx s LYS 99 Ca 0.74 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.85 3hwx s LYS 99 Cb -1.05 -4.11 -0.03 0.00 -0.52 0.00 0.00 37.83 32.12 3hwx s LYS 99 CO 0.55 -1.31 0.05 -0.51 -0.92 0.00 0.00 175.35 173.21 3hwx s LEU 100 N 2.91 3.52 -0.27 3.17 1.43 -1.25 -1.92 118.68 126.27 3hwx s LEU 100 Ca 0.18 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 3hwx s LEU 100 Cb -0.18 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3hwx s LEU 100 CO 0.13 0.08 0.08 -0.63 0.23 0.00 0.00 176.35 176.24 3hwx s ILE 101 N 0.95 4.28 -0.41 -0.59 -1.09 0.19 -1.44 121.20 123.09 3hwx s ILE 101 Ca 0.03 -0.31 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 3hwx s ILE 101 Cb -0.14 -3.07 0.11 0.00 -1.58 0.00 0.00 42.46 37.78 3hwx s ILE 101 CO 0.02 0.25 0.19 -0.76 -1.23 0.00 0.00 174.94 173.42 3hwx s LEU 102 N 1.59 5.17 -0.49 2.97 1.43 -0.65 -0.14 118.68 128.57 3hwx s LEU 102 Ca 0.05 -2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 50.87 3hwx s LEU 102 Cb -0.16 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.32 3hwx s LEU 102 CO 0.04 -0.51 0.54 -0.76 0.23 0.00 0.00 176.35 175.89 3hwx s LEU 103 N 1.03 5.13 -0.27 1.79 1.43 -0.21 -0.78 118.68 126.80 3hwx s LEU 103 Ca 0.09 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.14 3hwx s LEU 103 Cb -0.22 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3hwx s LEU 103 CO -0.05 -0.79 0.05 0.42 0.23 0.00 0.00 176.35 176.21 3hwx s THR 104 N 2.31 3.83 0.56 5.49 -4.23 0.07 -2.68 115.64 120.99 3hwx s THR 104 Ca 0.12 -0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 59.79 3hwx s THR 104 Cb -0.20 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 3hwx s THR 104 CO 0.11 0.17 1.33 0.00 -0.54 0.00 0.00 174.62 175.69 3hwx s ALA 105 N 1.49 2.72 0.15 3.99 0.00 -0.34 -0.97 121.76 128.81 3hwx s ALA 105 Ca 0.03 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.28 3hwx s ALA 105 Cb -0.16 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3hwx s ALA 105 CO 0.01 -1.38 0.02 0.34 0.00 0.00 0.00 175.76 174.75 3hwx s ASP 106 N -1.09 0.85 0.86 0.00 2.15 -0.16 -2.96 116.67 116.32 3hwx s ASP 106 Ca 0.74 -1.18 -0.12 0.00 0.43 0.00 0.00 52.55 52.42 3hwx s ASP 106 Cb -0.39 0.19 0.11 0.00 -0.30 0.00 0.00 42.92 42.52 3hwx s ASP 106 CO 0.45 -0.63 1.11 -0.13 -0.17 0.00 0.00 175.17 175.80 3hwx s ARG 107 N -3.96 1.59 0.79 4.34 1.81 -1.26 -1.59 118.95 120.67 3hwx s ARG 107 Ca 0.23 0.56 -0.07 0.00 -1.72 0.00 0.00 55.73 54.72 3hwx s ARG 107 Cb 0.07 -1.87 0.13 0.00 -0.45 0.00 0.00 34.95 32.83 3hwx s ARG 107 CO 0.02 -1.95 1.10 -1.25 -0.68 0.00 0.00 175.30 172.55 3hwx s PRO 108 N -5.15 1.51 0.22 3.54 0.04 -1.25 -4.36 135.00 129.56 3hwx s PRO 108 Ca 0.62 -0.62 -0.14 0.00 0.04 0.00 0.00 61.00 60.90 3hwx s PRO 108 Cb -0.15 -2.13 0.25 0.00 0.04 0.00 0.00 34.50 32.51 3hwx s PRO 108 CO 0.55 -1.69 1.61 -1.35 0.04 0.00 0.00 177.00 176.15 3hwx h PRO 109 N -0.90 -0.03 -0.72 0.56 0.10 -1.97 -2.54 132.00 126.49 3hwx h PRO 109 Ca -0.41 0.00 0.16 0.00 0.10 0.00 0.00 66.00 65.85 3hwx h PRO 109 Cb 1.27 0.01 -0.12 0.00 0.10 0.00 0.00 31.00 32.26 3hwx h PRO 109 CO 0.46 -0.02 0.07 0.93 0.10 0.00 0.00 178.00 179.54 3hwx h GLU 110 N -0.04 0.16 -0.85 1.05 3.07 -2.04 -1.18 114.58 114.76 3hwx h GLU 110 Ca 0.32 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3hwx h GLU 110 Cb 0.53 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3hwx h GLU 110 CO -0.73 0.10 0.00 1.28 -1.40 0.00 0.00 179.01 178.27 3hwx n LEU 111 N -5.26 2.54 -4.83 1.33 4.77 -0.96 -4.69 117.00 109.90 3hwx n LEU 111 Ca 0.13 -1.28 -0.37 0.00 -0.03 0.00 0.00 56.01 54.46 3hwx n LEU 111 Cb 0.45 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3hwx n LEU 111 CO 0.09 0.37 -0.08 -0.63 -1.33 0.00 0.00 177.39 175.81 3hwx s ILE 112 N -1.58 5.35 -1.78 -0.08 -1.09 -0.45 -4.46 121.20 117.11 3hwx s ILE 112 Ca 0.18 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 3hwx s ILE 112 Cb 0.14 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 3hwx s ILE 112 CO 0.05 0.56 0.00 0.47 -1.23 0.00 0.00 174.94 174.79 3hwx n ASP 113 N 2.31 -5.69 -0.26 3.58 8.00 -1.26 -4.87 116.55 118.36 3hwx n ASP 113 Ca -0.17 0.07 0.06 0.00 0.71 0.00 0.00 54.79 55.46 3hwx n ASP 113 Cb 0.54 -4.78 0.09 0.00 -0.02 0.00 0.00 41.12 36.94 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 -0.90 0.83 3.77 0.00 0.00 -1.26 -5.02 105.19 102.61 3hwx n GLY 115 Ca 0.10 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.42 2.56 0.22 4.61 0.00 -1.26 -5.00 121.76 120.46 3hwx s ALA 116 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 3hwx s ALA 116 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3hwx s ALA 116 CO 0.00 -1.08 0.90 1.21 0.00 0.00 0.00 175.76 176.79 3hwx s ASN 117 N -2.25 7.58 -1.51 0.00 3.84 -1.26 -3.66 114.94 117.67 3hwx s ASN 117 Ca 0.69 1.87 0.00 0.00 0.21 0.00 0.00 52.86 55.64 3hwx s ASN 117 Cb -0.22 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.90 3hwx s ASN 117 CO 0.36 0.17 0.00 1.67 -2.79 0.00 0.00 177.10 176.50 3hwx n GLN 118 N 1.55 -1.21 -3.93 0.43 7.27 -1.26 -4.96 117.38 115.27 3hwx n GLN 118 Ca -0.03 0.90 -0.30 0.00 0.07 0.00 0.00 57.00 57.64 3hwx n GLN 118 Cb 0.47 -5.20 -0.15 0.00 2.41 0.00 0.00 30.24 27.78 3hwx n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hwx s ALA 119 N -2.71 2.78 0.45 1.69 0.00 -1.24 -4.18 121.76 118.54 3hwx s ALA 119 Ca 0.00 -2.66 0.03 0.00 0.00 0.00 0.00 51.96 49.33 3hwx s ALA 119 Cb 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.17 3hwx s ALA 119 CO 0.00 -1.82 0.24 0.44 0.00 0.00 0.00 175.76 174.61 3hwx n ILE 120 N 3.91 0.00 -3.14 0.00 -5.35 -1.26 -4.58 119.36 108.94 3hwx n ILE 120 Ca 0.04 -1.89 -0.45 0.00 -0.27 0.00 0.00 62.75 60.18 3hwx n ILE 120 Cb 0.38 0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 38.29 3hwx n ILE 120 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3hwx s ARG 121 N -3.79 3.06 -0.09 6.28 0.52 -1.26 -4.92 118.95 118.76 3hwx s ARG 121 Ca 0.18 -1.41 -0.13 0.00 -0.52 0.00 0.00 55.73 53.84 3hwx s ARG 121 Cb -0.01 -4.29 -0.28 0.00 0.52 0.00 0.00 34.95 30.89 3hwx s ARG 121 CO 0.11 -1.52 0.57 1.96 0.02 0.00 0.00 175.30 176.45 3hwx h GLN 122 N 9.11 0.29 -6.36 3.54 4.20 -1.99 -3.42 115.11 120.49 3hwx h GLN 122 Ca -0.28 -0.50 -0.62 0.00 0.06 0.00 0.00 58.65 57.32 3hwx h GLN 122 Cb 1.09 0.19 0.04 0.00 0.30 0.00 0.00 27.48 29.09 3hwx h GLN 122 CO 1.09 1.24 0.92 -2.30 -0.67 0.00 0.00 178.83 179.11 3hwx n PRO 123 N -3.78 2.03 -0.23 1.46 -0.02 -1.26 -1.81 135.00 131.39 3hwx n PRO 123 Ca -0.26 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hwx n PRO 123 Cb 0.97 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3hwx n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwx n GLY 124 N 3.87 1.69 0.65 -1.23 0.00 -1.26 -4.92 105.19 104.00 3hwx n GLY 124 Ca 0.20 0.00 0.48 0.00 0.00 0.00 0.00 46.02 46.70 3hwx n GLY 124 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3hwx h MET 125 N 2.92 0.01 -0.52 1.61 2.86 -1.60 0.47 114.93 120.67 3hwx h MET 125 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hwx h MET 125 Cb 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hwx h MET 125 CO 0.00 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.16 3hwx n PHE 126 N -4.05 0.69 0.00 -0.22 3.72 -1.26 -5.04 117.46 111.30 3hwx n PHE 126 Ca 0.39 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3hwx n PHE 126 Cb 1.79 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 40.32 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 1.31 0.00 1.72 4.37 0.00 0.16 -1.89 120.51 126.18 3hwx n ALA 127 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.78 3hwx n ALA 127 Cb 0.56 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.75 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 2.63 0.62 0.08 0.00 3.41 -1.26 -4.29 113.62 114.80 3hwx n SER 128 Ca 0.00 -1.11 -0.07 0.00 -0.26 0.00 0.00 58.87 57.43 3hwx n SER 128 Cb 0.00 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.94 0.33 -3.78 7.33 -0.00 -1.79 -3.42 115.15 114.76 3hwx h HIS 129 Ca 0.00 -0.16 -0.49 0.00 -0.00 0.00 0.00 60.37 59.72 3hwx h HIS 129 Cb 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 3hwx h HIS 129 CO 0.00 0.90 0.38 -2.14 -0.00 0.00 0.00 177.93 177.07 3hwx s PRO 130 N -3.48 4.77 0.20 2.45 0.02 -1.26 -4.60 135.00 133.10 3hwx s PRO 130 Ca -0.04 1.54 -0.11 0.00 0.02 0.00 0.00 61.00 62.42 3hwx s PRO 130 Cb 0.11 -3.20 0.18 0.00 0.02 0.00 0.00 34.50 31.61 3hwx s PRO 130 CO 0.82 0.42 1.82 1.15 -0.33 0.00 0.00 177.00 180.87 3hwx h THR 131 N 3.07 1.02 -4.03 0.99 2.02 -1.38 -3.43 112.91 111.16 3hwx h THR 131 Ca -0.46 -0.24 -0.46 0.00 0.77 0.00 0.00 66.41 66.02 3hwx h THR 131 Cb 1.20 0.26 -0.24 0.00 -1.74 0.00 0.00 68.15 67.63 3hwx h THR 131 CO 0.67 0.13 -0.80 -1.00 0.37 0.00 0.00 175.52 174.89 3hwx s HIS 132 N -6.12 1.34 0.05 3.16 3.76 -1.19 -5.07 115.29 111.23 3hwx s HIS 132 Ca -0.13 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.45 3hwx s HIS 132 Cb 0.15 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 3hwx s HIS 132 CO 0.75 0.06 -0.13 -1.12 -0.85 0.00 0.00 174.74 173.45 3hwx s SER 133 N -1.29 1.52 -0.07 1.40 0.01 -1.26 -0.97 113.70 113.04 3hwx s SER 133 Ca 0.02 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 3hwx s SER 133 Cb -0.08 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.12 3hwx s SER 133 CO 0.02 -0.06 -0.04 -0.63 0.41 0.00 0.00 173.24 172.94 3hwx s ILE 134 N -1.13 0.65 -1.16 1.44 1.01 0.74 -4.93 121.20 117.83 3hwx s ILE 134 Ca -0.02 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 3hwx s ILE 134 Cb -0.09 -0.72 0.18 0.00 0.01 0.00 0.00 42.46 41.85 3hwx s ILE 134 CO 0.02 0.29 1.35 -0.44 0.00 0.00 0.00 174.94 176.15 3hwx s SER 135 N 1.47 7.06 0.14 3.58 0.01 -1.26 -1.27 113.70 123.42 3hwx s SER 135 Ca -0.02 -2.98 -0.32 0.00 1.31 0.00 0.00 55.95 53.94 3hwx s SER 135 Cb -0.13 -2.37 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 3hwx s SER 135 CO -0.04 -0.71 1.74 0.18 0.41 0.00 0.00 173.24 174.82 3hwx n LEU 136 N 5.31 3.71 -4.60 2.44 4.77 -0.64 -4.95 117.00 123.04 3hwx n LEU 136 Ca 0.33 1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 57.06 3hwx n LEU 136 Cb 0.43 -1.50 0.21 0.00 -2.33 0.00 0.00 43.42 40.23 3hwx n LEU 136 CO 0.59 0.03 0.59 -2.16 -1.33 0.00 0.00 177.39 175.11 3hwx s PRO 137 N 1.93 -0.32 -0.25 3.23 0.04 -1.26 -4.29 135.00 134.08 3hwx s PRO 137 Ca 0.80 0.49 -0.37 0.00 0.04 0.00 0.00 61.00 61.96 3hwx s PRO 137 Cb -0.56 -1.65 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 3hwx s PRO 137 CO 0.37 -3.23 1.92 -2.13 0.04 0.00 0.00 177.00 173.97 3hwx n ARG 138 N -4.52 1.41 -1.57 4.56 0.63 -1.26 -4.70 116.66 111.20 3hwx n ARG 138 Ca 0.05 0.49 -0.49 0.00 -0.92 0.00 0.00 57.85 56.97 3hwx n ARG 138 Cb 0.57 -2.36 -0.06 0.00 0.45 0.00 0.00 32.46 31.06 3hwx n ARG 138 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hwx n PRO 139 N 6.61 1.56 -4.06 -0.14 -0.02 -1.26 -4.97 135.00 132.73 3hwx n PRO 139 Ca 0.30 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3hwx n PRO 139 Cb 0.20 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 30.96 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 6.16 0.44 -0.59 3.45 -1.32 -1.26 -5.03 115.64 117.50 3hwx s THR 140 Ca 1.02 -1.16 0.23 0.00 -1.21 0.00 0.00 61.69 60.57 3hwx s THR 140 Cb -0.74 -0.68 0.24 0.00 -1.51 0.00 0.00 72.50 69.81 3hwx s THR 140 CO 0.49 -0.49 1.70 0.00 -2.21 0.00 0.00 174.62 174.12 3hwx n GLN 141 N 1.28 0.18 -0.02 7.08 6.02 -1.26 -2.36 117.38 128.30 3hwx n GLN 141 Ca -0.22 0.36 0.11 0.00 -0.01 0.00 0.00 57.00 57.24 3hwx n GLN 141 Cb 0.56 -1.81 0.58 0.00 1.02 0.00 0.00 30.24 30.59 3hwx n GLN 141 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hwx n ASP 142 N -2.15 0.44 -4.25 1.08 8.00 -1.26 -4.56 116.55 113.85 3hwx n ASP 142 Ca 0.03 -1.41 -0.35 0.00 0.71 0.00 0.00 54.79 53.77 3hwx n ASP 142 Cb 0.26 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 3hwx n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hwx s ILE 143 N -1.96 3.11 0.27 0.53 1.01 -1.00 -5.10 121.20 118.07 3hwx s ILE 143 Ca 0.33 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3hwx s ILE 143 Cb 0.16 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 40.04 3hwx s ILE 143 CO 0.26 0.31 1.42 -2.16 0.00 0.00 0.00 174.94 174.77 3hwx s PRO 144 N 1.40 4.27 0.34 2.79 0.04 -1.26 -4.89 135.00 137.70 3hwx s PRO 144 Ca 0.03 2.30 0.15 0.00 0.04 0.00 0.00 61.00 63.52 3hwx s PRO 144 Cb -0.15 -3.09 1.13 0.00 0.04 0.00 0.00 34.50 32.42 3hwx s PRO 144 CO -0.04 -0.38 1.64 0.00 0.04 0.00 0.00 177.00 178.25 3hwx h ALA 145 N 4.59 1.95 -0.45 8.56 0.00 -1.93 0.11 119.26 132.08 3hwx h ALA 145 Ca -0.47 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3hwx h ALA 145 Cb 1.22 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3hwx h ALA 145 CO 0.74 -0.68 0.30 0.07 0.00 0.00 0.00 179.25 179.69 3hwx h ARG 146 N 0.21 0.33 -0.40 0.00 0.11 -1.90 0.77 114.38 113.50 3hwx h ARG 146 Ca 0.75 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.75 3hwx h ARG 146 Cb 1.79 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.78 3hwx h ARG 146 CO -0.67 0.22 0.03 2.35 0.10 0.00 0.00 179.97 182.00 3hwx h TRP 147 N 0.34 0.75 -0.45 4.08 7.01 -1.15 -1.47 115.95 125.06 3hwx h TRP 147 Ca 0.20 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 3hwx h TRP 147 Cb 0.34 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3hwx h TRP 147 CO -0.00 0.75 0.00 1.25 -2.79 0.00 0.00 178.44 177.66 3hwx h LEU 148 N 0.53 0.70 0.00 0.65 5.85 -0.69 -1.36 115.31 120.99 3hwx h LEU 148 Ca 0.12 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hwx h LEU 148 Cb 0.43 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3hwx h LEU 148 CO 0.02 0.76 -0.39 1.62 -0.34 0.00 0.00 178.44 180.11 3hwx h VAL 149 N 0.69 0.00 -0.20 1.05 3.04 -1.25 -3.17 116.25 116.40 3hwx h VAL 149 Ca 0.14 -0.90 -0.19 0.00 -1.01 0.00 0.00 66.70 64.73 3hwx h VAL 149 Cb 0.42 1.70 0.01 0.00 -2.01 0.00 0.00 31.29 31.40 3hwx h VAL 149 CO 0.02 0.00 -0.62 0.28 -1.01 0.00 0.00 177.57 176.24 3hwx h SER 150 N 0.00 0.89 -0.27 3.17 0.02 -0.30 -0.91 113.55 116.15 3hwx h SER 150 Ca 0.00 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3hwx h SER 150 Cb 0.95 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3hwx h SER 150 CO 0.00 1.32 0.16 0.74 -1.14 0.00 0.00 176.83 177.91 3hwx h THR 151 N 0.50 1.11 -0.76 -2.27 2.02 -1.37 0.26 112.91 112.40 3hwx h THR 151 Ca -0.02 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3hwx h THR 151 Cb 1.24 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3hwx h THR 151 CO 0.13 0.11 0.36 0.40 0.37 0.00 0.00 175.52 176.89 3hwx h ILE 152 N 0.34 1.24 -0.80 3.11 2.04 -1.58 0.13 117.51 121.99 3hwx h ILE 152 Ca 0.10 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.31 3hwx h ILE 152 Cb 0.03 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 3hwx h ILE 152 CO -0.02 0.29 0.50 0.44 0.00 0.00 0.00 178.15 179.36 3hwx h ASP 153 N 1.07 0.80 0.32 1.72 3.32 -0.64 0.20 116.42 123.21 3hwx h ASP 153 Ca 0.26 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3hwx h ASP 153 Cb 0.13 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3hwx h ASP 153 CO -0.03 0.53 -0.16 -0.74 -1.72 0.00 0.00 179.24 177.12 3hwx h HIS 154 N 0.93 -0.40 -0.58 4.55 -0.00 0.18 0.60 115.15 120.43 3hwx h HIS 154 Ca 0.34 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.75 3hwx h HIS 154 Cb 0.11 0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 27.58 3hwx h HIS 154 CO -0.04 -0.07 -0.34 0.00 -0.00 0.00 0.00 177.93 177.48 3hwx n ALA 155 N -2.49 -0.37 -0.03 5.26 0.00 0.38 -1.90 120.51 121.35 3hwx n ALA 155 Ca -0.09 0.49 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 3hwx n ALA 155 Cb 0.27 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 3hwx n ALA 155 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hwx h LEU 156 N 0.00 0.46 -1.30 0.00 -0.00 -0.56 -3.11 115.31 110.80 3hwx h LEU 156 Ca 0.09 -0.64 0.19 0.00 -0.00 0.00 0.00 57.88 57.53 3hwx h LEU 156 Cb 0.24 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 40.68 3hwx h LEU 156 CO -0.55 1.02 0.61 1.23 -0.00 0.00 0.00 178.44 180.75 3hwx h GLY 157 N -0.07 1.24 -1.99 0.83 0.00 0.44 -1.43 103.07 102.10 3hwx h GLY 157 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hwx h GLY 157 CO 0.08 -0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.30 3hwx n THR 158 N -4.60 0.74 -2.20 4.70 -2.24 -0.80 -3.86 114.28 106.02 3hwx n THR 158 Ca 0.21 -0.87 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 3hwx n THR 158 Cb 0.63 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.15 3.47 0.17 3.22 2.96 -0.54 -4.85 118.68 121.96 3hwx s LEU 159 Ca 0.35 0.78 0.10 0.00 -0.22 0.00 0.00 54.13 55.14 3hwx s LEU 159 Cb 0.19 -3.27 -0.11 0.00 0.50 0.00 0.00 46.19 43.50 3hwx s LEU 159 CO 0.26 -1.73 1.30 -0.74 -1.32 0.00 0.00 176.35 174.12 3hwx h HIS 160 N 12.11 0.00 -1.50 5.38 -0.00 -1.92 -3.48 115.15 125.74 3hwx h HIS 160 Ca -0.29 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.20 3hwx h HIS 160 Cb 1.13 0.00 -0.23 0.00 -0.00 0.00 0.00 27.41 28.31 3hwx h HIS 160 CO 0.99 0.81 0.64 0.00 -0.00 0.00 0.00 177.93 180.37 3hwx s ALA 161 N -2.80 -1.97 0.00 5.26 0.00 -1.26 -5.05 121.76 115.94 3hwx s ALA 161 Ca 0.02 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3hwx s ALA 161 Cb 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3hwx s ALA 161 CO 0.79 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.63 3hwx n GLY 162 N 0.58 -0.92 3.92 0.00 0.00 0.19 -4.67 105.19 104.29 3hwx n GLY 162 Ca -0.08 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.74 1.52 -0.09 -0.02 0.00 -1.26 -3.82 107.32 99.91 3hwx s GLY 163 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3hwx s GLY 163 CO 0.00 -0.52 -0.09 0.14 0.00 0.00 0.00 173.10 172.63 3hwx s VAL 164 N -2.47 1.04 -0.46 1.40 1.01 -0.52 -1.12 120.40 119.28 3hwx s VAL 164 Ca 0.44 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 3hwx s VAL 164 Cb -0.10 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3hwx s VAL 164 CO 0.39 0.36 0.56 -2.28 0.00 0.00 0.00 175.10 174.12 3hwx s HIS 165 N 1.25 3.10 -0.45 5.22 2.46 -0.14 -1.63 115.29 125.09 3hwx s HIS 165 Ca -0.04 -0.36 -0.16 0.00 0.47 0.00 0.00 55.06 54.98 3hwx s HIS 165 Cb -0.14 -3.25 0.05 0.00 -0.13 0.00 0.00 32.58 29.11 3hwx s HIS 165 CO -0.03 -0.87 0.38 0.42 -2.47 0.00 0.00 174.74 172.17 3hwx s ILE 166 N 2.48 5.22 -0.13 0.89 1.01 0.04 -0.19 121.20 130.52 3hwx s ILE 166 Ca 0.16 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 3hwx s ILE 166 Cb -0.17 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3hwx s ILE 166 CO 0.14 -0.49 0.84 0.21 0.00 0.00 0.00 174.94 175.64 3hwx s ASN 167 N 2.26 7.03 -0.63 3.58 2.47 -0.40 -0.75 114.94 128.50 3hwx s ASN 167 Ca 0.05 1.25 0.05 0.00 0.42 0.00 0.00 52.86 54.63 3hwx s ASN 167 Cb -0.22 -2.47 0.15 0.00 -1.45 0.00 0.00 41.25 37.27 3hwx s ASN 167 CO 0.08 -0.35 0.40 0.00 -3.72 0.00 0.00 177.10 173.52 3hwx n PRO 169 N 2.42 2.12 -3.83 0.00 -0.02 -1.26 -0.98 135.00 133.45 3hwx n PRO 169 Ca 0.14 0.74 -0.13 0.00 -2.02 0.00 0.00 63.50 62.23 3hwx n PRO 169 Cb 0.34 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 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 -1.11 -0.01 -0.08 6.00 0.08 -0.62 -4.52 117.98 117.71 3hwx s PHE 170 Ca 0.56 0.08 -0.17 0.00 0.12 0.00 0.00 56.93 57.52 3hwx s PHE 170 Cb -0.56 -0.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 3hwx s PHE 170 CO 0.62 -0.04 0.45 0.00 -0.10 0.00 0.00 175.22 176.15 3hwx s ALA 171 N 0.39 3.54 0.62 5.36 0.00 -1.26 -3.80 121.76 126.60 3hwx s ALA 171 Ca -0.03 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 3hwx s ALA 171 Cb -0.05 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 3hwx s ALA 171 CO -0.01 0.13 1.27 -0.85 0.00 0.00 0.00 175.76 176.30 3hwx n GLU 172 N 3.16 1.23 -2.01 0.00 0.00 -1.26 -4.50 120.64 117.26 3hwx n GLU 172 Ca -0.09 0.47 -0.40 0.00 0.00 0.00 0.00 57.16 57.15 3hwx n GLU 172 Cb 0.52 -2.50 -0.00 0.00 0.00 0.00 0.00 31.44 29.46 3hwx n GLU 172 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3hwx s PRO 173 N -3.17 3.96 0.00 3.44 0.04 -1.26 -5.03 135.00 132.99 3hwx s PRO 173 Ca 0.79 2.22 0.03 0.00 0.04 0.00 0.00 61.00 64.09 3hwx s PRO 173 Cb -0.40 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 3hwx s PRO 173 CO 0.43 -0.52 0.31 1.28 0.04 0.00 0.00 177.00 178.54 3hwx n LEU 174 N 0.14 0.58 -4.14 -3.56 4.77 -1.26 -3.74 117.00 109.80 3hwx n LEU 174 Ca 0.03 -0.69 -0.35 0.00 -0.03 0.00 0.00 56.01 54.98 3hwx n LEU 174 Cb 0.43 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 3hwx n LEU 174 CO 0.57 0.13 -0.26 -0.31 -1.33 0.00 0.00 177.39 176.19 3hwx s TYR 175 N -0.93 3.47 0.04 -1.77 2.02 -1.26 -4.78 117.35 114.14 3hwx s TYR 175 Ca 0.02 -2.23 0.03 0.00 -0.37 0.00 0.00 57.07 54.53 3hwx s TYR 175 Cb 0.03 -2.72 -0.02 0.00 -0.40 0.00 0.00 41.96 38.85 3hwx s TYR 175 CO 0.10 -0.90 -0.10 1.41 -1.57 0.00 0.00 175.55 174.49 3hwx s MET 178 N 1.17 0.68 0.54 -0.62 1.75 -1.26 -4.82 119.30 116.73 3hwx s MET 178 Ca 0.03 -0.74 0.07 0.00 -1.25 0.00 0.00 55.69 53.79 3hwx s MET 178 Cb -0.21 -0.58 0.05 0.00 2.84 0.00 0.00 34.83 36.92 3hwx s MET 178 CO -0.03 0.13 0.50 0.34 -0.65 0.00 0.00 175.02 175.31 3hwx s ASP 179 N -1.36 4.79 -0.37 1.11 2.15 -1.26 -5.00 116.67 116.73 3hwx s ASP 179 Ca -0.04 -1.10 0.06 0.00 0.43 0.00 0.00 52.55 51.91 3hwx s ASP 179 Cb -0.09 0.29 0.67 0.00 -0.30 0.00 0.00 42.92 43.50 3hwx s ASP 179 CO 0.01 -1.13 1.83 0.47 -0.17 0.00 0.00 175.17 176.18 3hwx n ASP 180 N -1.87 4.19 0.12 -0.34 9.92 -1.26 -4.72 116.55 122.58 3hwx n ASP 180 Ca 0.03 -3.36 -0.06 0.00 -0.53 0.00 0.00 54.79 50.88 3hwx n ASP 180 Cb 0.63 -0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 3hwx n ASP 180 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3hwx h THR 181 N 1.70 0.00 0.00 -3.53 2.02 -1.92 -3.10 112.91 108.08 3hwx h THR 181 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 3hwx h THR 181 Cb 2.56 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3hwx h THR 181 CO 0.90 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.40 3hwx n GLY 182 N -1.19 -0.75 0.08 2.16 0.00 -1.26 -4.60 105.19 99.63 3hwx n GLY 182 Ca -0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.08 -1.90 0.99 5.85 -1.89 -2.43 115.31 115.85 3hwx h LEU 183 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3hwx h LEU 183 Cb 0.00 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3hwx h LEU 183 CO 0.00 0.17 -0.04 0.77 -0.34 0.00 0.00 178.44 179.00 3hwx h SER 184 N -0.33 0.00 -0.15 1.25 4.64 -1.82 0.12 113.55 117.26 3hwx h SER 184 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3hwx h SER 184 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hwx h SER 184 CO 0.02 0.04 -0.19 -0.25 -0.87 0.00 0.00 176.83 175.58 3hwx h TRP 185 N 0.00 0.48 0.11 4.77 7.01 -1.84 -2.54 115.95 123.95 3hwx h TRP 185 Ca -0.00 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 60.84 3hwx h TRP 185 Cb 0.37 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 3hwx h TRP 185 CO 0.00 0.81 -0.05 1.96 -2.79 0.00 0.00 178.44 178.37 3hwx h GLN 186 N 0.02 -0.14 0.00 2.65 4.20 -0.85 -2.93 115.11 118.05 3hwx h GLN 186 Ca 0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hwx h GLN 186 Cb 0.74 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3hwx h GLN 186 CO 0.05 -0.05 0.01 1.04 -0.67 0.00 0.00 178.83 179.20 3hwx n GLN 187 N -5.13 0.00 0.00 1.46 6.02 0.35 -1.11 117.38 118.96 3hwx n GLN 187 Ca -0.08 0.43 0.12 0.00 -0.01 0.00 0.00 57.00 57.46 3hwx n GLN 187 Cb 0.10 -1.51 0.65 0.00 1.02 0.00 0.00 30.24 30.51 3hwx n GLN 187 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx n ARG 188 N -1.43 0.49 -0.11 -1.09 5.12 -0.96 -2.30 116.66 116.38 3hwx n ARG 188 Ca 0.00 0.04 0.11 0.00 -1.93 0.00 0.00 57.85 56.08 3hwx n ARG 188 Cb 0.01 -1.50 0.29 0.00 -1.16 0.00 0.00 32.46 30.09 3hwx n ARG 188 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hwx n LEU 189 N -1.19 2.53 0.00 0.55 4.77 -0.27 -4.93 117.00 118.46 3hwx n LEU 189 Ca 0.14 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3hwx n LEU 189 Cb 0.16 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hwx n LEU 189 CO 0.17 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3hwx n GLY 190 N 1.31 1.40 0.00 -0.72 0.00 -0.97 -2.22 105.19 103.99 3hwx n GLY 190 Ca 0.17 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.32 0.00 -0.36 1.61 5.68 -1.26 -3.20 116.55 116.69 3hwx n ASP 191 Ca 0.00 -0.83 0.29 0.00 -0.50 0.00 0.00 54.79 53.75 3hwx n ASP 191 Cb 0.00 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.57 3hwx n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 3hwx h TRP 192 N 0.00 0.50 -0.06 2.11 7.01 -1.84 0.41 115.95 124.08 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 0.00 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 3hwx h TRP 192 CO 0.00 -0.02 0.09 -1.49 -2.79 0.00 0.00 178.44 174.24 3hwx h TRP 193 N 0.24 0.00 -0.03 2.65 4.06 -1.76 0.18 115.95 121.30 3hwx h TRP 193 Ca 0.65 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.60 3hwx h TRP 193 Cb 1.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.11 3hwx h TRP 193 CO -0.00 0.00 -0.16 1.04 -3.56 0.00 0.00 178.44 175.76 3hwx n GLN 194 N -3.59 1.96 -3.28 0.49 3.00 0.14 -5.02 117.38 111.08 3hwx n GLN 194 Ca -0.01 -1.62 -0.21 0.00 -0.01 0.00 0.00 57.00 55.14 3hwx n GLN 194 Cb 0.18 -1.47 0.04 0.00 0.00 0.00 0.00 30.24 29.00 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 -2.16 4.99 -0.01 1.08 2.15 0.63 -5.02 116.67 118.33 3hwx s ASP 195 Ca 0.25 -0.94 0.15 0.00 0.43 0.00 0.00 52.55 52.44 3hwx s ASP 195 Cb 0.19 0.28 -0.21 0.00 -0.30 0.00 0.00 42.92 42.88 3hwx s ASP 195 CO 0.39 -1.24 0.48 -0.67 -0.17 0.00 0.00 175.17 173.96 3hwx n ASP 196 N -2.08 1.10 -4.53 -0.34 2.03 -1.26 -5.01 116.55 106.46 3hwx n ASP 196 Ca 0.10 -0.40 -0.25 0.00 0.52 0.00 0.00 54.79 54.76 3hwx n ASP 196 Cb 0.62 1.38 -0.10 0.00 -0.72 0.00 0.00 41.12 42.30 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hwx s LYS 197 N -2.78 1.79 0.66 -0.67 1.02 -1.26 -4.75 119.74 113.74 3hwx s LYS 197 Ca -0.00 -1.89 -0.17 0.00 0.02 0.00 0.00 55.97 53.93 3hwx s LYS 197 Cb 0.11 -1.73 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 3hwx s LYS 197 CO 0.64 0.19 0.87 -2.30 -0.92 0.00 0.00 175.35 173.83 3hwx n PRO 198 N -0.75 0.63 0.28 -1.68 -0.02 -1.26 -4.85 135.00 127.35 3hwx n PRO 198 Ca -0.05 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.54 3hwx n PRO 198 Cb 0.62 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 3hwx n PRO 198 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3hwx h TRP 199 N 0.06 -0.66 -3.62 6.00 2.91 -1.97 -3.40 115.95 115.28 3hwx h TRP 199 Ca -0.47 -0.02 -0.68 0.00 1.13 0.00 0.00 58.89 58.85 3hwx h TRP 199 Cb 1.36 0.22 -0.26 0.00 -0.51 0.00 0.00 29.16 29.97 3hwx h TRP 199 CO 0.37 -0.35 -0.60 -1.17 -1.03 0.00 0.00 178.44 175.66 3hwx s LEU 200 N -9.78 4.02 -0.38 0.65 2.96 -1.26 -5.08 118.68 109.82 3hwx s LEU 200 Ca -0.16 -0.76 -0.22 0.00 -0.22 0.00 0.00 54.13 52.78 3hwx s LEU 200 Cb 0.03 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3hwx s LEU 200 CO 0.56 -0.23 0.72 -0.13 -1.32 0.00 0.00 176.35 175.95 3hwx s ARG 201 N 1.51 3.63 -0.36 1.98 0.52 -1.26 -4.68 118.95 120.29 3hwx s ARG 201 Ca 0.02 0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 3hwx s ARG 201 Cb -0.18 -3.84 0.15 0.00 0.52 0.00 0.00 34.95 31.60 3hwx s ARG 201 CO 0.03 -0.87 0.26 -2.00 0.02 0.00 0.00 175.30 172.74 3hwx s GLU 202 N 2.97 0.59 -0.41 3.54 2.12 -1.26 -5.03 118.70 121.23 3hwx s GLU 202 Ca 0.28 -1.31 0.11 0.00 0.36 0.00 0.00 54.97 54.41 3hwx s GLU 202 Cb -0.14 -1.19 0.36 0.00 0.26 0.00 0.00 34.13 33.42 3hwx s GLU 202 CO 0.17 -1.22 0.79 0.00 -0.54 0.00 0.00 175.26 174.46 3hwx n ALA 203 N 3.97 2.64 -0.65 6.30 0.00 -1.25 -2.89 120.51 128.63 3hwx n ALA 203 Ca 0.13 -3.64 -0.31 0.00 0.00 0.00 0.00 53.44 49.62 3hwx n ALA 203 Cb 0.40 -0.89 0.18 0.00 0.00 0.00 0.00 19.45 19.14 3hwx n ALA 203 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hwx n PRO 204 N 0.15 -1.30 -4.37 0.00 -0.04 -1.26 -4.97 135.00 123.20 3hwx n PRO 204 Ca 0.25 -0.34 -0.35 0.00 -0.04 0.00 0.00 63.50 63.02 3hwx n PRO 204 Cb 0.62 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 3hwx n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hwx s ARG 205 N -3.94 2.95 -0.34 0.54 0.52 -1.26 -5.00 118.95 112.42 3hwx s ARG 205 Ca 0.61 -0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 55.32 3hwx s ARG 205 Cb -0.20 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.54 3hwx s ARG 205 CO 0.65 0.69 0.11 -1.17 0.02 0.00 0.00 175.30 175.60 3hwx s LEU 206 N -0.98 4.29 0.04 2.53 2.96 -1.26 -5.07 118.68 121.19 3hwx s LEU 206 Ca 0.14 -1.09 0.01 0.00 -0.22 0.00 0.00 54.13 52.97 3hwx s LEU 206 Cb -0.11 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3hwx s LEU 206 CO 0.03 -0.32 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.08 3hwx s GLU 207 N 1.42 0.50 0.13 1.98 2.02 -1.26 -4.73 118.70 118.76 3hwx s GLU 207 Ca -0.01 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 3hwx s GLU 207 Cb -0.19 -0.09 -0.06 0.00 0.10 0.00 0.00 34.13 33.88 3hwx s GLU 207 CO 0.03 -0.01 0.49 -1.12 0.02 0.00 0.00 175.26 174.67 3hwx s SER 208 N -1.86 6.72 0.90 -0.19 0.01 -0.18 -4.95 113.70 114.16 3hwx s SER 208 Ca -0.08 0.94 -0.13 0.00 1.31 0.00 0.00 55.95 57.99 3hwx s SER 208 Cb -0.06 -2.23 0.14 0.00 0.21 0.00 0.00 66.02 64.07 3hwx s SER 208 CO -0.02 0.10 1.17 -1.83 0.41 0.00 0.00 173.24 173.08 3hwx s GLU 209 N -2.09 1.18 0.24 12.44 -1.05 -1.26 -4.90 118.70 123.26 3hwx s GLU 209 Ca 0.38 0.12 -0.31 0.00 -0.15 0.00 0.00 54.97 55.00 3hwx s GLU 209 Cb -0.14 -1.86 -0.11 0.00 -0.44 0.00 0.00 34.13 31.58 3hwx s GLU 209 CO 0.19 -2.14 1.65 0.21 0.95 0.00 0.00 175.26 176.12 3hwx s LYS 210 N -5.46 4.14 -0.68 -4.83 2.20 -1.26 -4.95 119.74 108.89 3hwx s LYS 210 Ca 0.65 2.56 -0.27 0.00 -0.36 0.00 0.00 55.97 58.55 3hwx s LYS 210 Cb -0.12 -3.06 0.03 0.00 -1.51 0.00 0.00 37.83 33.17 3hwx s LYS 210 CO 0.52 -0.68 1.23 -0.65 -0.36 0.00 0.00 175.35 175.41 3hwx s GLN 211 N 0.46 3.30 0.48 4.03 -1.52 -1.26 -4.88 119.66 120.26 3hwx s GLN 211 Ca 0.69 -0.11 0.32 0.00 -1.95 0.00 0.00 55.36 54.32 3hwx s GLN 211 Cb -0.48 -4.12 1.70 0.00 -0.22 0.00 0.00 33.01 29.89 3hwx s GLN 211 CO 0.39 -1.96 1.98 0.00 -0.25 0.00 0.00 175.29 175.45 3hwx h ARG 212 N 9.83 0.00 -0.56 2.91 3.08 -2.01 -1.70 114.38 125.93 3hwx h ARG 212 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3hwx h ARG 212 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3hwx h ARG 212 CO 1.24 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.74 3hwx n ASP 213 N -2.65 5.23 0.08 7.04 5.68 -1.26 -4.62 116.55 126.05 3hwx n ASP 213 Ca -0.02 -2.80 0.03 0.00 -0.50 0.00 0.00 54.79 51.50 3hwx n ASP 213 Cb 0.08 -0.63 0.41 0.00 -1.14 0.00 0.00 41.12 39.83 3hwx n ASP 213 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 3hwx h TRP 214 N 3.74 0.34 -0.15 2.11 2.91 -1.72 -2.47 115.95 120.71 3hwx h TRP 214 Ca 0.00 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.97 3hwx h TRP 214 Cb 1.76 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.30 3hwx h TRP 214 CO 0.93 0.35 -0.04 0.74 -1.03 0.00 0.00 178.44 179.39 3hwx h PHE 215 N 0.33 0.22 -0.12 2.65 -1.00 -1.83 -0.16 116.94 117.04 3hwx h PHE 215 Ca 0.08 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 3hwx h PHE 215 Cb 0.22 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.72 3hwx h PHE 215 CO 0.01 0.27 -0.21 0.35 -1.61 0.00 0.00 178.31 177.11 3hwx h PHE 216 N 0.22 0.44 0.00 -0.55 3.57 -1.79 -3.37 116.94 115.45 3hwx h PHE 216 Ca 0.05 -0.15 -0.16 0.00 3.53 0.00 0.00 57.97 61.24 3hwx h PHE 216 Cb 0.22 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3hwx h PHE 216 CO 0.00 0.82 -0.75 -1.49 -2.23 0.00 0.00 178.31 174.66 3hwx h TRP 217 N -0.07 0.00 0.00 0.41 4.06 -1.08 -3.20 115.95 116.07 3hwx h TRP 217 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3hwx h TRP 217 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 3hwx h TRP 217 CO 0.10 0.75 0.00 0.07 -3.56 0.00 0.00 178.44 175.80 3hwx h ARG 218 N 0.00 0.00 0.00 0.49 0.11 -1.22 -2.05 114.38 111.70 3hwx h ARG 218 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3hwx h ARG 218 Cb 1.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.65 3hwx h ARG 218 CO 0.10 0.00 -0.78 1.96 0.10 0.00 0.00 179.97 181.35 3hwx h GLN 219 N 0.00 0.00 -7.49 0.08 4.20 -1.72 -3.47 115.11 106.71 3hwx h GLN 219 Ca 0.00 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.27 3hwx h GLN 219 Cb 0.20 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.15 3hwx h GLN 219 CO 0.00 0.09 0.24 0.15 -0.67 0.00 0.00 178.83 178.64 3hwx s LYS 220 N -3.22 -0.02 -0.67 1.46 -0.14 -0.77 -4.95 119.74 111.42 3hwx s LYS 220 Ca 0.01 0.06 -0.26 0.00 -1.36 0.00 0.00 55.97 54.42 3hwx s LYS 220 Cb 0.08 -1.73 0.04 0.00 -1.68 0.00 0.00 37.83 34.54 3hwx s LYS 220 CO 0.76 -2.94 1.18 1.03 -0.76 0.00 0.00 175.35 174.63 3hwx s ARG 221 N -5.38 3.27 0.58 1.68 0.52 -1.26 -4.96 118.95 113.39 3hwx s ARG 221 Ca 0.69 -0.21 0.09 0.00 -0.52 0.00 0.00 55.73 55.78 3hwx s ARG 221 Cb -0.11 -4.14 0.09 0.00 0.52 0.00 0.00 34.95 31.31 3hwx s ARG 221 CO 0.55 -1.93 0.80 0.20 0.02 0.00 0.00 175.30 174.94 3hwx s GLY 222 N 3.46 1.74 0.02 -3.53 0.00 -1.26 0.12 107.32 107.86 3hwx s GLY 222 Ca 0.35 -2.12 0.01 0.00 0.00 0.00 0.00 44.72 42.96 3hwx s GLY 222 CO 0.17 -1.66 -0.05 0.14 0.00 0.00 0.00 173.10 171.71 3hwx s VAL 223 N -2.68 0.29 -0.14 1.40 1.01 -1.10 -4.30 120.40 114.88 3hwx s VAL 223 Ca 0.62 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3hwx s VAL 223 Cb -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3hwx s VAL 223 CO 0.39 -0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.34 3hwx s VAL 224 N -0.95 2.37 -0.11 2.92 1.01 -0.32 -1.43 120.40 123.88 3hwx s VAL 224 Ca -0.08 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3hwx s VAL 224 Cb -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3hwx s VAL 224 CO -0.00 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 3hwx s VAL 225 N 0.67 3.63 -0.25 2.92 1.01 -0.69 -0.72 120.40 126.98 3hwx s VAL 225 Ca -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3hwx s VAL 225 Cb -0.16 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.74 3hwx s VAL 225 CO 0.02 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 3hwx s ALA 226 N -0.20 2.59 0.22 5.51 0.00 0.31 -0.30 121.76 129.90 3hwx s ALA 226 Ca 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.32 3hwx s ALA 226 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3hwx s ALA 226 CO 0.03 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.13 3hwx n GLY 227 N 4.51 1.40 3.75 0.00 0.00 0.13 0.39 105.19 115.37 3hwx n GLY 227 Ca -0.15 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 2.28 4.67 0.12 1.61 3.52 -0.52 -2.86 118.95 127.78 3hwx s ARG 228 Ca 0.00 1.74 -0.11 0.00 -0.13 0.00 0.00 55.73 57.23 3hwx s ARG 228 Cb 0.00 -3.22 0.04 0.00 -1.56 0.00 0.00 34.95 30.21 3hwx s ARG 228 CO 0.00 0.24 0.53 0.00 -0.81 0.00 0.00 175.30 175.26 3hwx n MET 229 N 1.42 0.40 -2.59 5.12 0.00 -1.22 -3.82 117.12 116.43 3hwx n MET 229 Ca -0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 57.70 56.50 3hwx n MET 229 Cb 0.45 1.15 -0.05 0.00 0.00 0.00 0.00 33.22 34.78 3hwx n MET 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hwx s SER 230 N -2.27 6.71 0.19 3.17 1.04 -1.26 -4.85 113.70 116.42 3hwx s SER 230 Ca 0.12 1.67 -0.21 0.00 0.48 0.00 0.00 55.95 58.00 3hwx s SER 230 Cb -0.02 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.70 3hwx s SER 230 CO 0.04 -0.52 1.58 0.00 0.98 0.00 0.00 173.24 175.31 3hwx h ALA 231 N 1.41 -0.05 -0.40 5.32 0.00 -1.86 0.85 119.26 124.53 3hwx h ALA 231 Ca -0.48 0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3hwx h ALA 231 Cb 1.19 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 3hwx h ALA 231 CO 0.61 -0.69 0.15 0.93 0.00 0.00 0.00 179.25 180.25 3hwx h GLU 232 N -0.15 0.30 -0.80 0.00 4.39 -1.91 -1.90 114.58 114.50 3hwx h GLU 232 Ca 0.24 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.98 3hwx h GLU 232 Cb 0.56 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 3hwx h GLU 232 CO -0.72 0.20 0.53 0.93 -1.16 0.00 0.00 179.01 178.78 3hwx h GLU 233 N 0.31 0.88 -0.05 2.33 5.08 -1.73 -1.61 114.58 119.80 3hwx h GLU 233 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hwx h GLU 233 Cb 0.15 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3hwx h GLU 233 CO -0.18 0.58 0.03 0.78 -1.00 0.00 0.00 179.01 179.23 3hwx h GLY 234 N 0.91 0.07 0.69 -3.84 0.00 -0.05 0.68 103.07 101.53 3hwx h GLY 234 Ca 0.34 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.68 3hwx h GLY 234 CO -0.11 0.03 -0.03 0.50 0.00 0.00 0.00 176.54 176.92 3hwx h LYS 235 N 0.06 0.02 0.00 4.80 1.57 -1.16 -1.27 116.57 120.58 3hwx h LYS 235 Ca 0.02 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hwx h LYS 235 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3hwx h LYS 235 CO -0.00 0.01 -0.20 0.87 -0.57 0.00 0.00 179.45 179.56 3hwx h LYS 236 N 0.02 0.00 0.17 3.15 1.57 -1.05 -2.47 116.57 117.96 3hwx h LYS 236 Ca 0.08 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.56 3hwx h LYS 236 Cb 0.11 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hwx h LYS 236 CO -0.16 0.20 -1.31 0.28 -0.57 0.00 0.00 179.45 177.89 3hwx h VAL 237 N 0.00 1.40 -0.31 0.50 2.07 -0.16 -2.41 116.25 117.34 3hwx h VAL 237 Ca -0.00 -2.85 -0.02 0.00 0.82 0.00 0.00 66.70 64.65 3hwx h VAL 237 Cb 0.44 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 3hwx h VAL 237 CO 0.03 0.84 0.10 0.00 0.02 0.00 0.00 177.57 178.55 3hwx h ALA 238 N 0.42 1.60 0.12 1.67 0.00 -1.04 -1.02 119.26 121.01 3hwx h ALA 238 Ca -0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hwx h ALA 238 Cb 2.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3hwx h ALA 238 CO 0.23 0.31 -0.06 -0.07 0.00 0.00 0.00 179.25 179.66 3hwx h LEU 239 N 0.43 -0.14 -0.77 0.00 3.38 -1.39 -2.64 115.31 114.19 3hwx h LEU 239 Ca 0.11 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.82 3hwx h LEU 239 Cb 0.13 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3hwx h LEU 239 CO -0.01 0.30 0.41 -0.25 0.09 0.00 0.00 178.44 178.99 3hwx h TRP 240 N -0.61 0.75 -0.24 1.13 7.01 -1.28 -0.10 115.95 122.61 3hwx h TRP 240 Ca -0.02 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.85 3hwx h TRP 240 Cb 0.48 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 3hwx h TRP 240 CO 0.06 0.29 -0.53 0.00 -2.79 0.00 0.00 178.44 175.47 3hwx h ALA 241 N 1.44 0.62 -0.40 2.65 0.00 -1.26 -2.12 119.26 120.19 3hwx h ALA 241 Ca 0.37 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3hwx h ALA 241 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hwx h ALA 241 CO -0.25 0.68 -0.22 0.37 0.00 0.00 0.00 179.25 179.83 3hwx h GLN 242 N 0.53 0.85 -0.73 0.00 4.15 -1.07 -0.36 115.11 118.48 3hwx h GLN 242 Ca 0.02 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 3hwx h GLN 242 Cb 1.10 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 3hwx h GLN 242 CO 0.11 1.02 0.44 1.15 -1.93 0.00 0.00 178.83 179.62 3hwx h THR 243 N 0.66 1.21 0.00 2.39 2.02 -0.94 -2.77 112.91 115.48 3hwx h THR 243 Ca 0.09 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3hwx h THR 243 Cb 0.78 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3hwx h THR 243 CO 0.06 0.22 0.00 -0.07 0.37 0.00 0.00 175.52 176.10 3hwx h LEU 244 N 1.00 0.00 0.24 2.58 3.38 -1.28 -2.13 115.31 119.10 3hwx h LEU 244 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3hwx h LEU 244 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hwx h LEU 244 CO -0.05 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 179.02 3hwx n GLY 245 N 0.80 0.52 3.82 0.83 0.00 -0.26 -4.47 105.19 106.43 3hwx n GLY 245 Ca 0.03 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.13 3.78 0.24 1.61 0.51 -0.55 -3.45 118.94 118.95 3hwx s TRP 246 Ca 0.00 1.23 -0.30 0.00 -2.12 0.00 0.00 56.10 54.91 3hwx s TRP 246 Cb 0.00 -2.47 -0.10 0.00 -0.81 0.00 0.00 33.47 30.10 3hwx s TRP 246 CO 0.00 0.57 1.38 -1.25 -0.51 0.00 0.00 176.95 177.14 3hwx s PRO 247 N -1.21 4.32 -0.49 4.98 0.04 -1.26 -4.52 135.00 136.86 3hwx s PRO 247 Ca 0.30 2.21 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 3hwx s PRO 247 Cb -0.19 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.33 3hwx s PRO 247 CO 0.19 -0.33 0.39 -1.17 0.04 0.00 0.00 177.00 176.12 3hwx s LEU 248 N -0.48 5.78 -0.51 -3.56 2.96 -1.26 -1.18 118.68 120.43 3hwx s LEU 248 Ca 0.57 -1.76 -0.28 0.00 -0.22 0.00 0.00 54.13 52.44 3hwx s LEU 248 Cb -0.40 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.22 3hwx s LEU 248 CO 0.43 -0.72 1.29 -0.63 -1.32 0.00 0.00 176.35 175.40 3hwx s ILE 249 N 1.48 3.97 -0.10 6.68 1.01 0.11 -4.06 121.20 130.29 3hwx s ILE 249 Ca 0.04 0.91 -0.04 0.00 0.00 0.00 0.00 60.65 61.57 3hwx s ILE 249 Cb -0.27 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.66 3hwx s ILE 249 CO 0.02 -1.09 0.05 -0.83 0.00 0.00 0.00 174.94 173.09 3hwx s GLY 250 N 3.48 1.96 0.39 6.18 0.00 -1.26 -0.53 107.32 117.54 3hwx s GLY 250 Ca 0.51 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 44.39 3hwx s GLY 250 CO 0.28 -0.48 0.73 -0.35 0.00 0.00 0.00 173.10 173.28 3hwx s ASP 251 N -0.89 6.50 0.29 1.64 2.15 0.16 -4.89 116.67 121.63 3hwx s ASP 251 Ca 0.13 1.05 0.02 0.00 0.43 0.00 0.00 52.55 54.19 3hwx s ASP 251 Cb -0.12 -2.29 0.73 0.00 -0.30 0.00 0.00 42.92 40.94 3hwx s ASP 251 CO 0.03 -0.37 1.47 0.52 -0.17 0.00 0.00 175.17 176.64 3hwx n VAL 252 N -1.28 -0.39 1.67 1.11 0.31 -1.26 -0.27 118.33 118.22 3hwx n VAL 252 Ca 0.02 2.06 0.11 0.00 -0.01 0.00 0.00 64.34 66.51 3hwx n VAL 252 Cb 0.54 -3.01 0.54 0.00 -0.91 0.00 0.00 33.84 31.01 3hwx n VAL 252 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hwx n LEU 253 N -5.38 0.76 0.03 7.52 4.77 -1.26 -4.00 117.00 119.44 3hwx n LEU 253 Ca 0.22 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 3hwx n LEU 253 Cb 0.73 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.65 3hwx n LEU 253 CO -0.07 0.15 -0.26 0.77 -1.33 0.00 0.00 177.39 176.65 3hwx h SER 254 N 1.06 0.10 -5.81 -1.43 4.64 -0.48 -3.24 113.55 108.39 3hwx h SER 254 Ca 0.00 -0.15 -0.38 0.00 -0.47 0.00 0.00 61.79 60.78 3hwx h SER 254 Cb 0.23 -0.03 0.14 0.00 -0.31 0.00 0.00 62.40 62.43 3hwx h SER 254 CO 0.00 1.13 -0.71 0.00 -0.87 0.00 0.00 176.83 176.38 3hwx n GLN 255 N -3.26 -7.53 -0.00 4.77 6.02 -1.26 -3.91 117.38 112.22 3hwx n GLN 255 Ca -0.11 0.83 0.09 0.00 -0.01 0.00 0.00 57.00 57.79 3hwx n GLN 255 Cb 1.01 -5.87 -0.11 0.00 1.02 0.00 0.00 30.24 26.30 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 -4.76 0.00 -0.53 5.09 -2.24 -1.26 -1.61 114.28 108.97 3hwx n THR 256 Ca -0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hwx n THR 256 Cb 0.59 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 1.44 0.74 2.96 3.38 0.00 -1.17 -4.50 105.19 108.03 3hwx n GLY 257 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.42 -0.86 0.29 1.61 6.02 -1.26 -4.72 117.38 116.04 3hwx n GLN 258 Ca 0.00 0.48 0.18 0.00 -0.01 0.00 0.00 57.00 57.65 3hwx n GLN 258 Cb 0.00 -1.12 0.81 0.00 1.02 0.00 0.00 30.24 30.95 3hwx n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3hwx h PRO 259 N 0.52 0.00 -2.30 -1.09 0.13 -1.83 -2.26 132.00 125.17 3hwx h PRO 259 Ca -0.33 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.17 3hwx h PRO 259 Cb 0.74 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.47 3hwx h PRO 259 CO 0.17 0.02 -0.34 1.28 -0.23 0.00 0.00 178.00 178.91 3hwx n LEU 260 N -3.16 4.56 -4.59 1.56 4.77 -1.26 -5.01 117.00 113.88 3hwx n LEU 260 Ca -0.01 -5.50 -0.29 0.00 -0.03 0.00 0.00 56.01 50.18 3hwx n LEU 260 Cb 0.25 -0.73 0.20 0.00 -2.33 0.00 0.00 43.42 40.81 3hwx n LEU 260 CO 0.26 2.12 0.60 -2.16 -1.33 0.00 0.00 177.39 176.88 3hwx s PRO 261 N -2.99 0.09 -1.33 3.23 0.04 -0.85 -3.71 135.00 129.47 3hwx s PRO 261 Ca 0.42 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 3hwx s PRO 261 Cb 0.19 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 33.09 3hwx s PRO 261 CO -0.05 -3.11 0.79 0.00 0.04 0.00 0.00 177.00 174.67 3hwx h ALA 263 N 0.89 1.01 0.00 0.00 0.00 -1.81 -1.55 119.26 117.81 3hwx h ALA 263 Ca -0.60 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hwx h ALA 263 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hwx h ALA 263 CO 0.57 0.00 0.00 0.22 0.00 0.00 0.00 179.25 180.05 3hwx h ASP 264 N 0.00 0.00 0.00 0.00 3.58 -1.84 -0.33 116.42 117.83 3hwx h ASP 264 Ca -0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 3hwx h ASP 264 Cb 0.12 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3hwx h ASP 264 CO 0.00 0.00 -1.40 0.18 -2.88 0.00 0.00 179.24 175.14 3hwx n LEU 265 N -2.99 1.77 0.18 2.28 4.77 -0.64 -4.55 117.00 117.82 3hwx n LEU 265 Ca 0.00 0.30 0.16 0.00 -0.03 0.00 0.00 56.01 56.44 3hwx n LEU 265 Cb 0.25 -0.69 0.77 0.00 -2.33 0.00 0.00 43.42 41.41 3hwx n LEU 265 CO 0.25 -0.03 1.14 4.11 -1.33 0.00 0.00 177.39 181.52 3hwx h TRP 266 N -0.86 0.00 0.00 -1.77 5.08 -1.46 0.26 115.95 117.20 3hwx h TRP 266 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.75 3hwx h TRP 266 Cb 1.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 3hwx h TRP 266 CO -0.26 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.18 3hwx n LEU 267 N -4.08 0.00 -1.06 0.11 4.77 -0.14 -2.01 117.00 114.59 3hwx n LEU 267 Ca 0.02 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 3hwx n LEU 267 Cb 0.32 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 3hwx n LEU 267 CO 0.31 -0.06 0.72 0.61 -1.33 0.00 0.00 177.39 177.64 3hwx n GLY 268 N 0.10 1.67 3.51 -0.72 0.00 0.90 -4.75 105.19 105.90 3hwx n GLY 268 Ca 0.11 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.06 5.75 0.41 1.61 3.84 -0.85 -4.55 114.94 120.09 3hwx s ASN 269 Ca 0.39 -0.29 0.32 0.00 0.21 0.00 0.00 52.86 53.49 3hwx s ASN 269 Cb 0.20 -2.06 1.38 0.00 -0.55 0.00 0.00 41.25 40.22 3hwx s ASN 269 CO 0.27 -0.13 1.41 0.00 -2.79 0.00 0.00 177.10 175.85 3hwx n ALA 270 N 5.03 1.30 -0.12 1.71 0.00 -1.26 0.25 120.51 127.42 3hwx n ALA 270 Ca -0.14 0.76 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 3hwx n ALA 270 Cb 0.51 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 3hwx n ALA 270 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hwx h LYS 271 N 0.00 0.86 0.32 0.00 1.57 -1.92 -2.60 116.57 114.79 3hwx h LYS 271 Ca 0.80 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 3hwx h LYS 271 Cb 2.68 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.00 3hwx h LYS 271 CO -0.36 1.06 -0.16 0.00 -0.57 0.00 0.00 179.45 179.42 3hwx h ALA 272 N 0.78 -0.44 -0.87 3.86 0.00 -0.45 -2.50 119.26 119.64 3hwx h ALA 272 Ca 0.07 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.06 3hwx h ALA 272 Cb 0.86 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 3hwx h ALA 272 CO 0.08 -0.67 0.23 1.15 0.00 0.00 0.00 179.25 180.04 3hwx h THR 273 N -0.59 0.33 -0.18 0.00 2.02 -1.49 -1.22 112.91 111.77 3hwx h THR 273 Ca -0.04 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 3hwx h THR 273 Cb 0.43 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3hwx h THR 273 CO 0.07 0.04 -0.23 0.28 0.37 0.00 0.00 175.52 176.05 3hwx h SER 274 N 0.21 0.52 -0.31 4.18 0.02 -1.42 -1.85 113.55 114.90 3hwx h SER 274 Ca 0.54 -0.51 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3hwx h SER 274 Cb 1.08 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.40 3hwx h SER 274 CO -0.65 0.92 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.58 3hwx h GLU 275 N 0.12 -0.27 0.00 3.45 4.81 -0.90 0.49 114.58 122.29 3hwx h GLU 275 Ca 0.02 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hwx h GLU 275 Cb 0.80 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 3hwx h GLU 275 CO 0.06 -0.18 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.08 3hwx h LEU 276 N -0.28 0.00 0.00 1.64 3.38 -1.05 -1.45 115.31 117.55 3hwx h LEU 276 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hwx h LEU 276 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hwx h LEU 276 CO -0.47 0.00 0.00 1.67 0.09 0.00 0.00 178.44 179.74 3hwx n GLN 277 N -3.15 0.05 0.02 1.13 7.27 0.16 -0.92 117.38 121.94 3hwx n GLN 277 Ca -0.02 0.13 0.12 0.00 0.07 0.00 0.00 57.00 57.29 3hwx n GLN 277 Cb 0.11 -1.50 0.24 0.00 2.41 0.00 0.00 30.24 31.50 3hwx n GLN 277 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hwx n GLN 278 N -1.47 0.10 -1.95 3.69 6.02 -0.55 -4.94 117.38 118.28 3hwx n GLN 278 Ca 0.06 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 3hwx n GLN 278 Cb 0.24 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 3hwx n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwx s ALA 279 N -3.06 3.54 -0.20 -1.58 0.00 -0.10 -4.83 121.76 115.53 3hwx s ALA 279 Ca 0.09 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.52 3hwx s ALA 279 Cb 0.16 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 3hwx s ALA 279 CO 0.70 -0.86 -0.15 1.04 0.00 0.00 0.00 175.76 176.49 3hwx n GLN 280 N 0.64 0.65 -4.85 0.00 6.02 0.32 -4.56 117.38 115.59 3hwx n GLN 280 Ca 0.01 0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.79 3hwx n GLN 280 Cb 0.40 -1.42 -0.14 0.00 1.02 0.00 0.00 30.24 30.10 3hwx n GLN 280 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3hwx s ILE 281 N -2.42 2.32 -0.15 5.09 1.10 -1.20 0.13 121.20 126.07 3hwx s ILE 281 Ca -0.25 -1.33 0.01 0.00 -0.51 0.00 0.00 60.65 58.57 3hwx s ILE 281 Cb 0.07 -1.92 0.02 0.00 0.15 0.00 0.00 42.46 40.78 3hwx s ILE 281 CO 0.51 0.36 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.86 3hwx s VAL 282 N -0.83 1.67 -0.33 4.00 1.01 -0.93 -2.72 120.40 122.28 3hwx s VAL 282 Ca 0.12 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3hwx s VAL 282 Cb -0.10 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3hwx s VAL 282 CO 0.03 0.48 0.13 -0.69 0.00 0.00 0.00 175.10 175.04 3hwx s VAL 283 N 1.37 4.14 -0.20 2.92 1.01 -0.52 -0.47 120.40 128.65 3hwx s VAL 283 Ca 0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 3hwx s VAL 283 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3hwx s VAL 283 CO -0.10 -0.07 0.33 -1.58 0.00 0.00 0.00 175.10 173.69 3hwx s GLN 284 N 1.50 4.17 -0.23 2.72 0.74 -0.33 -1.70 119.66 126.53 3hwx s GLN 284 Ca 0.02 0.09 -0.06 0.00 0.05 0.00 0.00 55.36 55.45 3hwx s GLN 284 Cb -0.18 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 3hwx s GLN 284 CO 0.04 0.03 0.04 -0.51 -0.55 0.00 0.00 175.29 174.34 3hwx s LEU 285 N 1.10 3.32 0.00 3.68 2.01 0.59 -0.43 118.68 128.94 3hwx s LEU 285 Ca 0.16 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.07 3hwx s LEU 285 Cb -0.14 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.18 3hwx s LEU 285 CO 0.06 -0.01 0.00 0.61 1.01 0.00 0.00 176.35 178.02 3hwx n GLY 286 N 4.77 -1.01 0.58 -3.19 0.00 0.07 0.21 105.19 106.62 3hwx n GLY 286 Ca -0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.03 -0.16 -2.91 1.61 3.41 -1.25 -4.45 113.62 108.83 3hwx n SER 287 Ca 0.00 -1.38 -0.13 0.00 -0.26 0.00 0.00 58.87 57.11 3hwx n SER 287 Cb 0.00 0.35 0.06 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.55 -4.14 -4.75 4.04 7.64 -1.26 -1.43 113.62 111.17 3hwx n SER 288 Ca 0.01 -0.53 -0.38 0.00 1.01 0.00 0.00 58.87 58.98 3hwx n SER 288 Cb 0.11 -4.23 0.04 0.00 -1.01 0.00 0.00 64.21 59.12 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 -5.15 3.80 -0.24 -3.43 2.01 -1.26 -4.61 118.68 109.81 3hwx s LEU 289 Ca 0.21 2.64 -0.17 0.00 0.01 0.00 0.00 54.13 56.82 3hwx s LEU 289 Cb -0.03 -4.37 -0.16 0.00 0.01 0.00 0.00 46.19 41.65 3hwx s LEU 289 CO 0.59 -1.56 -0.07 0.41 1.01 0.00 0.00 176.35 176.73 3hwx n THR 290 N -1.17 1.54 -3.05 5.49 -1.04 -1.26 -4.99 114.28 109.80 3hwx n THR 290 Ca 0.11 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.05 61.57 3hwx n THR 290 Cb 0.46 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 66.98 3hwx n THR 290 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3hwx s GLY 291 N -5.23 2.24 0.29 3.41 0.00 -1.26 -4.97 107.32 101.80 3hwx s GLY 291 Ca -0.34 -0.00 0.07 0.00 0.00 0.00 0.00 44.72 44.45 3hwx s GLY 291 CO 0.55 0.20 1.69 1.70 0.00 0.00 0.00 173.10 177.24 3hwx h LYS 292 N 1.98 0.20 0.00 2.90 3.64 -1.94 -2.58 116.57 120.77 3hwx h LYS 292 Ca -0.48 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 3hwx h LYS 292 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3hwx h LYS 292 CO 0.65 0.61 -0.34 0.00 -2.27 0.00 0.00 179.45 178.10 3hwx h ARG 293 N 0.16 0.00 0.19 1.90 2.47 -1.91 -1.25 114.38 115.95 3hwx h ARG 293 Ca 0.01 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.41 3hwx h ARG 293 Cb 0.86 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.19 3hwx h ARG 293 CO 0.07 0.34 -1.48 1.25 0.56 0.00 0.00 179.97 180.70 3hwx h LEU 294 N 0.00 0.64 0.41 3.04 5.85 -1.83 0.20 115.31 123.62 3hwx h LEU 294 Ca -0.00 -0.75 -0.02 0.00 0.84 0.00 0.00 57.88 57.95 3hwx h LEU 294 Cb 1.13 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3hwx h LEU 294 CO 0.04 1.60 -0.20 -0.07 -0.34 0.00 0.00 178.44 179.48 3hwx h LEU 295 N 0.11 -0.47 -0.70 2.25 3.38 -1.44 -2.03 115.31 116.41 3hwx h LEU 295 Ca -0.24 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 57.81 3hwx h LEU 295 Cb 2.09 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 42.83 3hwx h LEU 295 CO 0.22 -0.23 -0.20 1.56 0.09 0.00 0.00 178.44 179.88 3hwx h GLN 296 N -0.69 -0.02 -0.11 1.13 4.20 -1.23 -0.26 115.11 118.13 3hwx h GLN 296 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hwx h GLN 296 Cb 0.50 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3hwx h GLN 296 CO 0.09 -0.02 0.08 2.35 -0.67 0.00 0.00 178.83 180.66 3hwx h TRP 297 N -0.02 0.14 0.08 2.96 7.01 -0.79 -2.26 115.95 123.06 3hwx h TRP 297 Ca 0.33 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 61.18 3hwx h TRP 297 Cb 0.53 -0.05 0.02 0.00 -2.10 0.00 0.00 29.16 27.56 3hwx h TRP 297 CO -0.58 0.09 -0.62 0.37 -2.79 0.00 0.00 178.44 174.90 3hwx h GLN 298 N 0.15 0.28 -0.67 2.65 4.15 -0.36 0.32 115.11 121.63 3hwx h GLN 298 Ca 0.04 -0.41 0.16 0.00 0.77 0.00 0.00 58.65 59.21 3hwx h GLN 298 Cb -0.01 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 3hwx h GLN 298 CO -0.01 1.15 0.46 0.00 -1.93 0.00 0.00 178.83 178.50 3hwx h ALA 299 N 0.15 2.31 0.00 3.38 0.00 -0.78 -3.18 119.26 121.14 3hwx h ALA 299 Ca -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3hwx h ALA 299 Cb 1.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3hwx h ALA 299 CO 0.12 -0.50 -1.70 -1.13 0.00 0.00 0.00 179.25 176.04 3hwx n SER 300 N -4.43 1.73 -4.77 0.00 3.41 -0.89 -4.95 113.62 103.73 3hwx n SER 300 Ca 0.13 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.37 3hwx n SER 300 Cb 0.59 1.52 0.01 0.00 -0.26 0.00 0.00 64.21 66.06 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 -0.97 0.60 -1.68 0.00 1.02 -1.26 -4.92 120.64 113.43 3hwx n GLU 302 Ca 0.10 -3.17 -0.30 0.00 -0.02 0.00 0.00 57.16 53.76 3hwx n GLU 302 Cb 0.49 -1.31 0.06 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.87 2.59 0.45 3.49 0.04 -1.26 -4.95 135.00 134.49 3hwx s PRO 303 Ca 0.34 0.65 0.21 0.00 0.04 0.00 0.00 61.00 62.24 3hwx s PRO 303 Cb 0.14 -1.98 1.19 0.00 0.04 0.00 0.00 34.50 33.90 3hwx s PRO 303 CO -0.13 -1.27 1.88 0.93 0.04 0.00 0.00 177.00 178.45 3hwx h GLU 304 N -0.83 0.28 -2.87 4.56 5.08 -0.56 -3.43 114.58 116.80 3hwx h GLU 304 Ca -0.46 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 3hwx h GLU 304 Cb 1.25 -0.06 -0.23 0.00 0.50 0.00 0.00 28.75 30.20 3hwx h GLU 304 CO 0.60 0.19 -0.27 -1.21 -1.00 0.00 0.00 179.01 177.32 3hwx s GLU 305 N -5.30 0.50 -0.11 2.33 2.02 -1.09 -4.74 118.70 112.31 3hwx s GLU 305 Ca -0.07 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.28 3hwx s GLU 305 Cb 0.22 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.70 3hwx s GLU 305 CO 0.78 -0.09 -0.17 -0.47 0.02 0.00 0.00 175.26 175.33 3hwx s TYR 306 N -0.18 2.10 0.02 1.61 6.14 0.64 -2.18 117.35 125.49 3hwx s TYR 306 Ca -0.03 -0.96 0.05 0.00 0.64 0.00 0.00 57.07 56.77 3hwx s TYR 306 Cb -0.03 -1.48 -0.03 0.00 0.42 0.00 0.00 41.96 40.84 3hwx s TYR 306 CO 0.02 -0.47 -0.13 -1.58 0.64 0.00 0.00 175.55 174.03 3hwx s TRP 307 N 0.84 2.71 -0.09 4.97 0.52 0.38 -1.42 118.94 126.84 3hwx s TRP 307 Ca -0.09 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 55.87 3hwx s TRP 307 Cb -0.15 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3hwx s TRP 307 CO 0.00 0.29 -0.09 0.42 0.02 0.00 0.00 176.95 177.60 3hwx s ILE 308 N -0.93 1.02 -0.13 2.03 1.01 -1.12 -1.19 121.20 121.88 3hwx s ILE 308 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 3hwx s ILE 308 Cb -0.11 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 3hwx s ILE 308 CO 0.06 0.35 -0.11 -0.69 0.00 0.00 0.00 174.94 174.56 3hwx s VAL 309 N 1.37 3.28 0.00 2.92 1.01 0.42 -0.89 120.40 128.51 3hwx s VAL 309 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3hwx s VAL 309 Cb -0.14 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3hwx s VAL 309 CO -0.04 0.52 0.00 -0.67 0.00 0.00 0.00 175.10 174.91 3hwx n ASP 310 N 3.47 0.00 -1.26 3.32 -0.08 -1.09 -0.75 116.55 120.16 3hwx n ASP 310 Ca -0.18 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.06 3hwx n ASP 310 Cb 0.53 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.08 3hwx n ASP 310 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3hwx n ASP 311 N 0.00 3.03 -4.67 1.67 5.75 -1.04 -2.98 116.55 118.31 3hwx n ASP 311 Ca 0.00 -2.47 -0.25 0.00 -0.01 0.00 0.00 54.79 52.06 3hwx n ASP 311 Cb 0.00 -0.60 -0.07 0.00 -1.03 0.00 0.00 41.12 39.42 3hwx n ASP 311 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3hwx s ILE 312 N -1.30 3.70 0.55 2.12 -4.36 -1.26 -4.82 121.20 115.82 3hwx s ILE 312 Ca 0.19 -1.53 -0.04 0.00 -0.26 0.00 0.00 60.65 59.01 3hwx s ILE 312 Cb 0.16 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.97 3hwx s ILE 312 CO 0.04 -0.19 0.83 -1.61 0.24 0.00 0.00 174.94 174.26 3hwx s GLU 313 N -3.16 2.98 0.00 0.37 2.02 -1.26 -4.85 118.70 114.79 3hwx s GLU 313 Ca 0.29 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.13 3hwx s GLU 313 Cb -0.09 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.78 3hwx s GLU 313 CO 0.19 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.32 3hwx n GLY 314 N -2.42 0.15 3.73 -1.39 0.00 -1.26 -4.96 105.19 99.04 3hwx n GLY 314 Ca 0.04 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 3hwx n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 315 N -2.48 2.55 0.00 1.61 0.52 -1.26 -4.94 118.95 114.95 3hwx s ARG 315 Ca 0.00 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 3hwx s ARG 315 Cb 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.63 3hwx s ARG 315 CO 0.00 -1.60 0.22 1.28 0.02 0.00 0.00 175.30 175.22 3hwx n LEU 316 N -1.91 0.00 -4.20 2.53 4.77 -1.26 -5.00 117.00 111.93 3hwx n LEU 316 Ca 0.16 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 3hwx n LEU 316 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3hwx n LEU 316 CO 0.47 0.22 -0.09 -0.62 -1.33 0.00 0.00 177.39 176.03 3hwx s ASP 317 N 0.00 5.54 0.00 -1.43 2.15 -1.26 -4.90 116.67 116.76 3hwx s ASP 317 Ca 0.00 -1.83 0.08 0.00 0.43 0.00 0.00 52.55 51.23 3hwx s ASP 317 Cb 0.00 -1.95 0.39 0.00 -0.30 0.00 0.00 42.92 41.07 3hwx s ASP 317 CO 0.00 -0.60 1.14 -2.65 -0.17 0.00 0.00 175.17 172.89 3hwx n PRO 318 N 4.81 0.10 0.00 4.34 -0.02 -1.26 -2.20 135.00 140.78 3hwx n PRO 318 Ca -0.07 0.23 0.06 0.00 -2.02 0.00 0.00 63.50 61.70 3hwx n PRO 318 Cb 0.41 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.44 3hwx n PRO 318 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hwx n ALA 319 N -1.31 2.52 -3.35 3.55 0.00 -1.26 -5.03 120.51 115.63 3hwx n ALA 319 Ca 0.04 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 3hwx n ALA 319 Cb 0.07 -0.41 0.08 0.00 0.00 0.00 0.00 19.45 19.19 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 0.61 -2.08 -1.81 0.00 8.25 -0.93 -4.95 115.22 114.30 3hwx n HIS 320 Ca 0.07 0.89 -0.31 0.00 -0.26 0.00 0.00 57.72 58.11 3hwx n HIS 320 Cb 0.30 -4.90 0.03 0.00 1.12 0.00 0.00 29.99 26.54 3hwx n HIS 320 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3hwx s HIS 321 N -3.34 3.44 0.26 4.41 3.76 -1.26 -5.00 115.29 117.56 3hwx s HIS 321 Ca 0.01 1.24 -0.30 0.00 -0.15 0.00 0.00 55.06 55.86 3hwx s HIS 321 Cb -0.00 -2.85 -0.09 0.00 1.11 0.00 0.00 32.58 30.74 3hwx s HIS 321 CO 0.69 -0.95 1.11 0.50 -0.85 0.00 0.00 174.74 175.24 3hwx s ARG 322 N -5.21 4.62 0.00 1.40 3.52 -1.26 -4.82 118.95 117.21 3hwx s ARG 322 Ca 0.57 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 3hwx s ARG 322 Cb -0.12 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3hwx s ARG 322 CO 0.54 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.61 3hwx n GLY 323 N 1.33 0.19 3.28 8.12 0.00 -1.26 -0.26 105.19 116.58 3hwx n GLY 323 Ca -0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 1.13 -0.30 1.61 0.52 -0.51 -4.91 118.95 114.49 3hwx s ARG 324 Ca 0.00 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 53.78 3hwx s ARG 324 Cb 0.00 -0.87 0.10 0.00 0.52 0.00 0.00 34.95 34.69 3hwx s ARG 324 CO 0.00 0.14 0.10 0.50 0.02 0.00 0.00 175.30 176.06 3hwx s ARG 325 N -3.33 0.63 -0.12 3.54 6.06 -1.26 -2.80 118.95 121.67 3hwx s ARG 325 Ca 0.16 -0.94 -0.06 0.00 -2.50 0.00 0.00 55.73 52.39 3hwx s ARG 325 Cb -0.01 -1.86 -0.04 0.00 0.06 0.00 0.00 34.95 33.10 3hwx s ARG 325 CO 0.03 -0.96 0.10 -0.51 -2.50 0.00 0.00 175.30 171.46 3hwx s LEU 326 N 1.71 4.14 -0.27 -0.88 1.43 -0.07 -4.98 118.68 119.76 3hwx s LEU 326 Ca 0.09 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.49 3hwx s LEU 326 Cb -0.17 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3hwx s LEU 326 CO -0.26 0.37 0.00 -0.63 0.23 0.00 0.00 176.35 176.06 3hwx s ILE 327 N -0.79 3.36 0.00 -0.59 1.09 -1.26 -2.69 121.20 120.32 3hwx s ILE 327 Ca 0.13 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 58.78 3hwx s ILE 327 Cb -0.12 -2.73 0.00 0.00 -1.06 0.00 0.00 42.46 38.55 3hwx s ILE 327 CO 0.03 0.13 0.00 0.00 -0.10 0.00 0.00 174.94 175.00 3hwx n ALA 328 N 4.75 0.00 -1.58 9.38 0.00 -1.16 -1.01 120.51 130.89 3hwx n ALA 328 Ca -0.15 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.77 3hwx n ALA 328 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 3hwx n ALA 328 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hwx n ASN 329 N 0.00 1.43 0.05 0.00 2.85 -1.26 -2.50 115.26 115.82 3hwx n ASN 329 Ca 0.00 1.13 -0.13 0.00 -0.11 0.00 0.00 54.58 55.47 3hwx n ASN 329 Cb 0.00 -1.18 -0.08 0.00 1.24 0.00 0.00 39.78 39.76 3hwx n ASN 329 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3hwx h ILE 330 N 3.05 1.06 0.00 -1.44 2.04 -1.94 -1.92 117.51 118.37 3hwx h ILE 330 Ca -0.46 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3hwx h ILE 330 Cb 1.34 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 3hwx h ILE 330 CO 0.74 0.08 -0.27 0.00 0.00 0.00 0.00 178.15 178.71 3hwx h ALA 331 N 0.75 -0.37 -1.02 1.87 0.00 -1.92 0.15 119.26 118.71 3hwx h ALA 331 Ca -0.01 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.17 3hwx h ALA 331 Cb 0.18 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 3hwx h ALA 331 CO 0.01 -0.77 0.61 -0.44 0.00 0.00 0.00 179.25 178.66 3hwx h ASP 332 N -0.41 0.58 0.13 0.00 3.32 -1.93 -1.19 116.42 116.92 3hwx h ASP 332 Ca 0.06 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3hwx h ASP 332 Cb 0.49 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3hwx h ASP 332 CO -0.23 0.04 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.01 3hwx h TRP 333 N 0.47 -0.16 -0.82 4.55 7.01 0.04 -0.45 115.95 126.59 3hwx h TRP 333 Ca 0.66 -0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.86 3hwx h TRP 333 Cb 1.43 0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 28.41 3hwx h TRP 333 CO -0.01 0.27 0.19 -0.07 -2.79 0.00 0.00 178.44 176.04 3hwx h LEU 334 N -0.66 -0.03 -1.11 0.65 3.38 -0.72 0.49 115.31 117.32 3hwx h LEU 334 Ca -0.02 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hwx h LEU 334 Cb 0.50 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3hwx h LEU 334 CO 0.03 -0.11 0.23 -0.33 0.09 0.00 0.00 178.44 178.35 3hwx h GLU 335 N 0.23 0.86 0.00 1.13 5.08 -0.65 -2.31 114.58 118.91 3hwx h GLU 335 Ca 0.49 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 3hwx h GLU 335 Cb 0.93 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hwx h GLU 335 CO -0.61 0.71 -0.49 1.25 -1.00 0.00 0.00 179.01 178.88 3hwx h LEU 336 N 0.85 0.00 -6.15 1.33 5.85 0.07 -3.37 115.31 113.89 3hwx h LEU 336 Ca 0.20 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.33 3hwx h LEU 336 Cb 0.17 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 40.79 3hwx h LEU 336 CO -0.02 0.37 -0.70 1.41 -0.34 0.00 0.00 178.44 179.16 3hwx n HIS 337 N -3.14 2.84 -2.25 1.25 8.25 0.16 -4.95 115.22 117.38 3hwx n HIS 337 Ca 0.01 -4.04 -0.35 0.00 -0.26 0.00 0.00 57.72 53.09 3hwx n HIS 337 Cb 0.69 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3hwx n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hwx s PRO 338 N -2.23 3.37 0.51 -0.41 0.04 -0.95 -4.70 135.00 130.63 3hwx s PRO 338 Ca 0.39 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 3hwx s PRO 338 Cb 0.16 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 3hwx s PRO 338 CO -0.03 -0.83 1.20 0.00 0.04 0.00 0.00 177.00 177.39 3hwx s ALA 339 N -1.86 2.83 -0.11 8.56 0.00 -1.26 -5.05 121.76 124.86 3hwx s ALA 339 Ca 0.71 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 53.60 3hwx s ALA 339 Cb -0.22 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3hwx s ALA 339 CO 0.27 -0.90 0.16 -2.00 0.00 0.00 0.00 175.76 173.30 3hwx s GLU 340 N -2.93 3.47 -0.31 0.00 2.12 -1.26 -4.99 118.70 114.79 3hwx s GLU 340 Ca 0.69 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.64 3hwx s GLU 340 Cb -0.30 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 3hwx s GLU 340 CO 0.36 0.77 1.73 0.15 -0.54 0.00 0.00 175.26 177.73 3hwx s LYS 341 N -1.04 3.45 0.06 4.30 1.02 -1.26 -3.83 119.74 122.44 3hwx s LYS 341 Ca 0.16 1.44 -0.03 0.00 0.02 0.00 0.00 55.97 57.55 3hwx s LYS 341 Cb -0.12 -4.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.01 3hwx s LYS 341 CO 0.05 -1.72 0.04 1.03 -0.92 0.00 0.00 175.35 173.82 3hwx s ARG 342 N 5.40 0.66 -0.05 1.68 0.52 -0.80 -5.03 118.95 121.33 3hwx s ARG 342 Ca 0.77 -1.11 -0.16 0.00 -0.52 0.00 0.00 55.73 54.71 3hwx s ARG 342 Cb -0.22 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 3hwx s ARG 342 CO 0.33 -0.15 0.42 1.14 0.02 0.00 0.00 175.30 177.06 3hwx s GLN 343 N -3.76 4.08 -0.04 3.54 -2.07 -1.26 -3.77 119.66 116.38 3hwx s GLN 343 Ca 0.05 0.39 -0.38 0.00 -1.82 0.00 0.00 55.36 53.61 3hwx s GLN 343 Cb 0.06 -3.31 -0.16 0.00 -1.09 0.00 0.00 33.01 28.51 3hwx s GLN 343 CO -0.10 0.49 1.50 -2.30 -1.32 0.00 0.00 175.29 173.56 3hwx n PRO 344 N 2.55 1.20 0.06 9.60 -0.01 -1.26 -4.77 135.00 142.37 3hwx n PRO 344 Ca -0.12 0.44 0.04 0.00 -0.01 0.00 0.00 63.50 63.85 3hwx n PRO 344 Cb 0.52 -2.10 -0.05 0.00 -0.01 0.00 0.00 33.50 31.86 3hwx n PRO 344 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 175.50 175.60 3hwx h TRP 345 N 5.60 0.00 -3.30 6.00 5.08 -1.91 -3.47 115.95 123.96 3hwx h TRP 345 Ca -0.47 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 58.94 3hwx h TRP 345 Cb 1.33 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.44 3hwx h TRP 345 CO 0.66 0.38 0.47 0.00 -1.28 0.00 0.00 178.44 178.67 3hwx n VAL 347 N 4.42 0.43 0.08 0.00 0.24 -1.26 -4.70 118.33 117.54 3hwx n VAL 347 Ca 0.07 -0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.16 3hwx n VAL 347 Cb 0.49 -0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 32.01 3hwx n VAL 347 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3hwx h GLU 348 N 0.00 0.00 0.05 7.34 4.81 -1.96 -3.37 114.58 121.44 3hwx h GLU 348 Ca -0.17 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.81 3hwx h GLU 348 Cb 1.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 3hwx h GLU 348 CO 0.01 0.24 -1.26 0.82 -0.73 0.00 0.00 179.01 178.08 3hwx h ILE 349 N 0.00 1.43 0.00 2.32 2.04 -1.93 -2.86 117.51 118.52 3hwx h ILE 349 Ca -0.08 -3.12 -0.03 0.00 1.00 0.00 0.00 64.86 62.63 3hwx h ILE 349 Cb 1.36 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 40.22 3hwx h ILE 349 CO 0.04 0.86 -0.16 -0.65 0.00 0.00 0.00 178.15 178.23 3hwx h PRO 350 N 0.03 0.00 -0.03 2.37 0.11 -1.84 -1.95 132.00 130.68 3hwx h PRO 350 Ca -0.12 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3hwx h PRO 350 Cb 1.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.01 3hwx h PRO 350 CO 0.14 0.16 -0.04 -0.09 -0.21 0.00 0.00 178.00 177.97 3hwx h ARG 351 N 0.00 0.08 -0.63 1.05 2.43 -1.71 -2.87 114.38 112.73 3hwx h ARG 351 Ca -0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3hwx h ARG 351 Cb 0.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3hwx h ARG 351 CO 0.02 0.57 0.27 -0.07 -1.51 0.00 0.00 179.97 179.25 3hwx h LEU 352 N -0.40 0.82 0.07 3.80 3.38 -1.34 -2.17 115.31 119.46 3hwx h LEU 352 Ca 0.00 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hwx h LEU 352 Cb 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hwx h LEU 352 CO 0.01 0.72 -0.12 0.00 0.09 0.00 0.00 178.44 179.14 3hwx h ALA 353 N 1.41 -0.19 -0.65 1.53 0.00 -1.38 0.88 119.26 120.85 3hwx h ALA 353 Ca 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hwx h ALA 353 Cb 0.14 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hwx h ALA 353 CO -0.02 -0.63 0.23 1.49 0.00 0.00 0.00 179.25 180.31 3hwx h GLU 354 N -0.24 0.98 -0.12 0.00 4.81 -1.33 0.11 114.58 118.80 3hwx h GLU 354 Ca 0.02 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3hwx h GLU 354 Cb 0.25 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3hwx h GLU 354 CO -0.07 0.82 -0.06 1.96 -0.73 0.00 0.00 179.01 180.93 3hwx h GLN 355 N 0.95 0.25 -0.30 1.92 4.20 -0.86 -1.65 115.11 119.61 3hwx h GLN 355 Ca 0.22 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3hwx h GLN 355 Cb 0.23 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3hwx h GLN 355 CO -0.01 0.59 0.06 0.00 -0.67 0.00 0.00 178.83 178.80 3hwx h ALA 356 N 0.65 0.31 -0.81 3.87 0.00 0.12 0.43 119.26 123.83 3hwx h ALA 356 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3hwx h ALA 356 Cb 0.52 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3hwx h ALA 356 CO 0.02 -0.35 0.53 1.98 0.00 0.00 0.00 179.25 181.43 3hwx h MET 357 N 0.17 0.84 -0.27 0.00 1.85 -0.96 -2.61 114.93 113.95 3hwx h MET 357 Ca 0.14 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 3hwx h MET 357 Cb 0.15 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 3hwx h MET 357 CO -0.19 0.56 0.18 1.96 -0.40 0.00 0.00 176.91 179.01 3hwx h GLN 358 N 0.87 0.35 -0.94 0.39 4.20 -0.04 0.09 115.11 120.03 3hwx h GLN 358 Ca 0.35 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.21 3hwx h GLN 358 Cb 0.27 -0.08 -0.10 0.00 0.30 0.00 0.00 27.48 27.87 3hwx h GLN 358 CO -0.13 0.24 0.53 0.00 -0.67 0.00 0.00 178.83 178.80 3hwx h ALA 359 N 1.09 1.49 0.02 3.87 0.00 -0.63 -1.68 119.26 123.42 3hwx h ALA 359 Ca 0.10 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3hwx h ALA 359 Cb -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hwx h ALA 359 CO -0.02 -0.05 -0.62 0.28 0.00 0.00 0.00 179.25 178.83 3hwx h VAL 360 N 0.71 1.45 -0.09 0.00 2.07 -1.19 -2.95 116.25 116.25 3hwx h VAL 360 Ca 0.52 -2.15 0.03 0.00 0.82 0.00 0.00 66.70 65.92 3hwx h VAL 360 Cb 0.77 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3hwx h VAL 360 CO -0.37 0.62 0.13 0.40 0.02 0.00 0.00 177.57 178.37 3hwx h ILE 361 N -0.17 0.35 -0.39 4.57 2.04 -0.29 0.24 117.51 123.87 3hwx h ILE 361 Ca -0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3hwx h ILE 361 Cb 1.36 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3hwx h ILE 361 CO 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.22 3hwx h ALA 362 N 1.82 1.19 -0.54 1.87 0.00 -1.15 -3.23 119.26 119.22 3hwx h ALA 362 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hwx h ALA 362 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hwx h ALA 362 CO -0.00 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.31 3hwx n ARG 363 N -4.22 4.49 0.08 0.00 5.12 0.84 -4.56 116.66 118.41 3hwx n ARG 363 Ca 0.02 -2.88 0.13 0.00 -1.93 0.00 0.00 57.85 53.18 3hwx n ARG 363 Cb 0.30 -2.17 0.32 0.00 -1.16 0.00 0.00 32.46 29.75 3hwx n ARG 363 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hwx n ARG 364 N 0.63 0.25 -0.02 5.56 1.85 -1.22 -4.34 116.66 119.37 3hwx n ARG 364 Ca 0.25 0.15 -0.16 0.00 -1.00 0.00 0.00 57.85 57.09 3hwx n ARG 364 Cb 1.10 -1.73 -0.10 0.00 -1.05 0.00 0.00 32.46 30.68 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 0.48 -2.28 2.89 3.32 -1.87 -3.46 116.42 115.50 3hwx h ASP 365 Ca 0.00 -0.69 -0.61 0.00 0.02 0.00 0.00 57.03 55.75 3hwx h ASP 365 Cb 0.72 -0.14 0.13 0.00 0.22 0.00 0.00 39.33 40.26 3hwx h ASP 365 CO 0.00 1.09 -0.25 0.00 -1.72 0.00 0.00 179.24 178.37 3hwx n ALA 366 N -2.54 -1.23 -2.82 3.45 0.00 -1.26 -4.91 120.51 111.20 3hwx n ALA 366 Ca -0.09 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 3hwx n ALA 366 Cb 0.57 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3hwx n ALA 366 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hwx s PHE 367 N -1.31 3.18 0.35 0.00 5.36 -1.26 -4.71 117.98 119.60 3hwx s PHE 367 Ca 0.62 -1.78 -0.07 0.00 -0.96 0.00 0.00 56.93 54.74 3hwx s PHE 367 Cb -0.66 -4.45 0.02 0.00 -0.34 0.00 0.00 43.02 37.59 3hwx s PHE 367 CO 0.58 -1.56 0.57 0.20 -1.46 0.00 0.00 175.22 173.55 3hwx s GLY 368 N 3.48 1.15 0.04 13.12 0.00 -1.26 -4.85 107.32 118.99 3hwx s GLY 368 Ca 0.44 -1.28 -0.22 0.00 0.00 0.00 0.00 44.72 43.66 3hwx s GLY 368 CO -0.00 -0.79 1.42 1.05 0.00 0.00 0.00 173.10 174.77 3hwx h GLU 369 N 2.08 0.23 -0.63 2.90 4.11 -1.94 -1.06 114.58 120.27 3hwx h GLU 369 Ca -0.29 -0.09 0.12 0.00 0.07 0.00 0.00 59.36 59.17 3hwx h GLU 369 Cb 1.24 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 3hwx h GLU 369 CO 0.39 0.54 -0.24 0.00 0.07 0.00 0.00 179.01 179.77 3hwx h ALA 370 N 0.68 0.23 0.34 1.06 0.00 -1.90 0.18 119.26 119.85 3hwx h ALA 370 Ca 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3hwx h ALA 370 Cb 0.46 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hwx h ALA 370 CO 0.01 -0.53 -0.16 1.96 0.00 0.00 0.00 179.25 180.53 3hwx h GLN 371 N -0.08 -0.44 -0.26 0.00 7.50 -1.81 -1.59 115.11 118.43 3hwx h GLN 371 Ca 0.28 0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.49 3hwx h GLN 371 Cb 0.52 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.12 3hwx h GLN 371 CO -0.68 -0.25 0.09 1.25 -1.50 0.00 0.00 178.83 177.74 3hwx h LEU 372 N -0.52 0.10 -0.85 1.46 5.85 -0.62 0.32 115.31 121.04 3hwx h LEU 372 Ca -0.05 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.86 3hwx h LEU 372 Cb 0.39 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 3hwx h LEU 372 CO 0.08 0.09 0.42 0.00 -0.34 0.00 0.00 178.44 178.68 3hwx h ALA 373 N 1.16 1.30 -0.26 1.25 0.00 -0.64 -1.10 119.26 120.97 3hwx h ALA 373 Ca 0.11 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3hwx h ALA 373 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hwx h ALA 373 CO -0.12 -0.15 -0.38 1.25 0.00 0.00 0.00 179.25 179.86 3hwx h HIS 374 N 0.57 0.69 -0.20 0.00 -0.00 0.16 -3.01 115.15 113.36 3hwx h HIS 374 Ca 0.48 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 3hwx h HIS 374 Cb 0.73 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 3hwx h HIS 374 CO -0.10 0.88 0.00 0.54 -0.00 0.00 0.00 177.93 179.24 3hwx n ARG 375 N -4.04 1.86 -0.20 5.26 1.74 0.88 -4.62 116.66 117.53 3hwx n ARG 375 Ca -0.01 -1.29 0.07 0.00 -0.77 0.00 0.00 57.85 55.84 3hwx n ARG 375 Cb 0.50 -1.41 0.34 0.00 -1.02 0.00 0.00 32.46 30.87 3hwx n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hwx h ILE 376 N 2.60 1.01 0.00 0.55 6.09 -1.10 -1.40 117.51 125.26 3hwx h ILE 376 Ca 0.00 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3hwx h ILE 376 Cb 0.57 0.16 -0.00 0.00 0.47 0.00 0.00 36.82 38.02 3hwx h ILE 376 CO 0.00 0.14 -0.00 0.00 -3.07 0.00 0.00 178.15 175.22 3hwx n ASP 378 N -3.12 0.67 0.00 0.00 8.00 -0.52 -3.55 116.55 118.03 3hwx n ASP 378 Ca -0.03 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.18 3hwx n ASP 378 Cb 0.10 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3hwx n ASP 378 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hwx n TYR 379 N -2.28 0.00 -2.14 1.24 4.01 0.15 -4.99 117.16 113.15 3hwx n TYR 379 Ca 0.01 -0.25 -0.43 0.00 -0.16 0.00 0.00 57.90 57.07 3hwx n TYR 379 Cb 0.17 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.51 4.01 0.62 7.72 1.43 -1.15 -4.95 118.68 125.86 3hwx s LEU 380 Ca 0.00 1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.65 3hwx s LEU 380 Cb 0.00 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 3hwx s LEU 380 CO 0.00 -1.13 1.29 -2.16 0.23 0.00 0.00 176.35 174.58 3hwx s PRO 381 N 4.40 2.71 0.20 1.29 0.04 -1.26 -4.87 135.00 137.50 3hwx s PRO 381 Ca 0.69 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 63.47 3hwx s PRO 381 Cb -0.26 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3hwx s PRO 381 CO 0.27 -1.47 1.50 -2.00 0.04 0.00 0.00 177.00 175.34 3hwx s GLU 382 N -3.30 4.24 -1.07 4.56 2.12 -1.26 -0.98 118.70 123.01 3hwx s GLU 382 Ca 0.80 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.45 3hwx s GLU 382 Cb -0.37 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3hwx s GLU 382 CO 0.40 -0.52 0.00 1.04 -0.54 0.00 0.00 175.26 175.64 3hwx n GLN 383 N 3.29 -2.07 0.00 4.30 1.13 -1.26 -4.84 117.38 117.93 3hwx n GLN 383 Ca 0.11 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 3hwx n GLN 383 Cb 0.40 -5.13 0.00 0.00 0.11 0.00 0.00 30.24 25.61 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 -0.69 1.50 3.55 1.08 0.00 -0.15 -4.70 105.19 105.77 3hwx n GLY 384 Ca -0.14 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 3hwx n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hwx s GLN 385 N 2.92 0.67 -0.13 1.61 -2.07 -1.00 -4.58 119.66 117.09 3hwx s GLN 385 Ca 0.00 -0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.31 3hwx s GLN 385 Cb 0.00 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.23 3hwx s GLN 385 CO 0.00 -0.30 -0.23 -1.17 -1.32 0.00 0.00 175.29 172.28 3hwx s LEU 386 N -2.43 2.10 -0.20 2.60 2.96 -0.23 -2.44 118.68 121.04 3hwx s LEU 386 Ca 0.07 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 3hwx s LEU 386 Cb -0.01 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3hwx s LEU 386 CO -0.07 0.11 0.07 0.12 -1.32 0.00 0.00 176.35 175.26 3hwx s PHE 387 N 0.65 3.21 -0.20 5.38 5.36 0.10 0.39 117.98 132.88 3hwx s PHE 387 Ca -0.11 -0.03 -0.05 0.00 -0.96 0.00 0.00 56.93 55.77 3hwx s PHE 387 Cb -0.16 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.36 3hwx s PHE 387 CO 0.02 0.03 0.01 0.08 -1.46 0.00 0.00 175.22 173.90 3hwx s VAL 388 N 0.71 4.11 0.70 3.12 1.01 0.07 -1.98 120.40 128.15 3hwx s VAL 388 Ca 0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 3hwx s VAL 388 Cb -0.13 -2.86 0.17 0.00 0.00 0.00 0.00 36.38 33.56 3hwx s VAL 388 CO 0.02 0.43 0.67 0.61 0.00 0.00 0.00 175.10 176.83 3hwx n GLY 389 N 4.10 -2.43 0.00 4.51 0.00 0.53 -4.43 105.19 107.47 3hwx n GLY 389 Ca -0.17 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3hwx n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwx n ASN 390 N -4.01 0.00 0.00 1.61 3.02 -1.26 -3.91 115.26 110.70 3hwx n ASN 390 Ca 0.09 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 3hwx n ASN 390 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.08 0.00 0.24 6.41 2.88 -1.26 -3.32 113.62 116.49 3hwx n SER 391 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3hwx n SER 391 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 3hwx n SER 391 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hwx h LEU 392 N 0.00 0.00 0.09 2.46 3.38 -1.97 -2.93 115.31 116.34 3hwx h LEU 392 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwx h LEU 392 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hwx h LEU 392 CO 0.00 0.17 -0.04 1.62 0.09 0.00 0.00 178.44 180.28 3hwx h VAL 393 N 0.00 0.97 -0.02 1.22 3.04 -1.86 0.14 116.25 119.75 3hwx h VAL 393 Ca -0.00 -0.21 -0.08 0.00 -1.01 0.00 0.00 66.70 65.40 3hwx h VAL 393 Cb 0.43 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 3hwx h VAL 393 CO 0.02 0.05 -0.35 1.62 -1.01 0.00 0.00 177.57 177.90 3hwx h VAL 394 N -0.22 1.26 0.09 1.51 3.04 -1.63 -1.96 116.25 118.34 3hwx h VAL 394 Ca -0.01 -1.24 -0.18 0.00 -1.01 0.00 0.00 66.70 64.26 3hwx h VAL 394 Cb 0.18 1.65 0.02 0.00 -2.01 0.00 0.00 31.29 31.12 3hwx h VAL 394 CO 0.02 0.36 -0.76 0.03 -1.01 0.00 0.00 177.57 176.21 3hwx h ARG 395 N 0.03 0.36 0.76 4.17 3.08 -1.56 -2.41 114.38 118.80 3hwx h ARG 395 Ca 0.00 -0.50 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 3hwx h ARG 395 Cb 0.64 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3hwx h ARG 395 CO 0.05 1.20 -0.47 -0.07 -1.07 0.00 0.00 179.97 179.60 3hwx h LEU 396 N -0.24 -1.19 -0.67 3.04 3.38 -0.33 -0.09 115.31 119.21 3hwx h LEU 396 Ca -0.12 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.06 3hwx h LEU 396 Cb 1.53 0.35 -0.12 0.00 0.09 0.00 0.00 40.66 42.51 3hwx h LEU 396 CO 0.14 -0.72 -0.10 0.40 0.09 0.00 0.00 178.44 178.26 3hwx h ILE 397 N -1.15 0.37 -0.76 1.22 2.04 -1.49 0.55 117.51 118.29 3hwx h ILE 397 Ca -0.10 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hwx h ILE 397 Cb 0.92 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3hwx h ILE 397 CO 0.10 0.01 0.48 -0.78 0.00 0.00 0.00 178.15 177.95 3hwx h ASP 398 N 0.04 0.89 0.70 1.72 3.58 -1.04 -0.67 116.42 121.64 3hwx h ASP 398 Ca 0.34 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.61 3hwx h ASP 398 Cb 0.54 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3hwx h ASP 398 CO -0.65 0.67 -1.41 0.00 -2.88 0.00 0.00 179.24 174.97 3hwx n ALA 399 N -2.42 2.04 0.11 -0.78 0.00 -0.08 -4.27 120.51 115.10 3hwx n ALA 399 Ca 0.08 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 53.01 3hwx n ALA 399 Cb 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3hwx n ALA 399 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hwx n LEU 400 N -2.83 0.13 -4.36 0.00 4.77 0.17 -4.29 117.00 110.61 3hwx n LEU 400 Ca -0.09 -0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 55.19 3hwx n LEU 400 Cb 0.80 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 3hwx n LEU 400 CO 0.43 0.03 -0.45 -0.55 -1.33 0.00 0.00 177.39 175.52 3hwx s SER 401 N -1.20 2.67 -0.26 -1.43 0.15 -0.27 -4.56 113.70 108.80 3hwx s SER 401 Ca 0.01 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.65 3hwx s SER 401 Cb 0.02 -0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.25 3hwx s SER 401 CO 0.09 -0.15 0.01 -1.58 1.20 0.00 0.00 173.24 172.82 3hwx s GLN 402 N -3.59 1.24 -0.05 5.44 0.74 -1.26 -4.52 119.66 117.66 3hwx s GLN 402 Ca 0.23 -1.04 -0.21 0.00 0.05 0.00 0.00 55.36 54.39 3hwx s GLN 402 Cb -0.01 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 3hwx s GLN 402 CO 0.08 -0.74 0.61 -0.51 -0.55 0.00 0.00 175.29 174.17 3hwx s LEU 403 N 1.45 4.35 0.29 3.68 1.43 -1.26 -4.82 118.68 123.81 3hwx s LEU 403 Ca 0.01 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.91 3hwx s LEU 403 Cb -0.18 -2.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 3hwx s LEU 403 CO -0.11 0.00 1.43 -2.16 0.23 0.00 0.00 176.35 175.74 3hwx s PRO 404 N 0.34 4.25 0.20 1.29 0.04 -1.26 -3.05 135.00 136.81 3hwx s PRO 404 Ca 0.32 2.36 -0.32 0.00 0.04 0.00 0.00 61.00 63.40 3hwx s PRO 404 Cb -0.17 -3.07 -0.14 0.00 0.04 0.00 0.00 34.50 31.15 3hwx s PRO 404 CO 0.16 -0.41 1.35 0.00 0.04 0.00 0.00 177.00 178.14 3hwx n ALA 405 N 1.69 0.47 0.00 8.56 0.00 -1.26 -2.85 120.51 127.11 3hwx n ALA 405 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3hwx n ALA 405 Cb 0.40 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 2.25 2.34 3.65 0.00 0.00 -0.63 -4.88 105.19 107.92 3hwx n GLY 406 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.26 2.50 -0.06 1.61 6.14 -1.13 -4.71 117.35 119.44 3hwx s TYR 407 Ca 0.00 0.72 -0.29 0.00 0.64 0.00 0.00 57.07 58.14 3hwx s TYR 407 Cb 0.00 -3.72 -0.07 0.00 0.42 0.00 0.00 41.96 38.58 3hwx s TYR 407 CO 0.00 -2.42 2.04 -2.14 0.64 0.00 0.00 175.55 173.67 3hwx s PRO 408 N 3.88 3.78 -0.13 4.97 0.02 -1.26 -4.79 135.00 141.48 3hwx s PRO 408 Ca 0.62 2.38 -0.03 0.00 0.02 0.00 0.00 61.00 63.98 3hwx s PRO 408 Cb -0.24 -4.23 -0.03 0.00 0.02 0.00 0.00 34.50 30.02 3hwx s PRO 408 CO 0.21 -1.36 -0.02 0.08 -0.33 0.00 0.00 177.00 175.58 3hwx s VAL 409 N 5.80 4.07 0.04 3.83 1.01 -1.26 -1.06 120.40 132.82 3hwx s VAL 409 Ca 0.92 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.67 3hwx s VAL 409 Cb -0.39 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3hwx s VAL 409 CO 0.39 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.48 3hwx s TYR 410 N -0.08 2.04 0.23 5.22 2.02 0.16 -4.95 117.35 121.99 3hwx s TYR 410 Ca 0.03 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.11 3hwx s TYR 410 Cb -0.13 -1.23 0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3hwx s TYR 410 CO 0.02 0.09 0.76 -1.54 -1.57 0.00 0.00 175.55 173.31 3hwx s SER 411 N -1.12 -0.29 -0.86 2.29 1.04 -1.26 -0.75 113.70 112.76 3hwx s SER 411 Ca 0.09 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3hwx s SER 411 Cb -0.09 0.65 0.27 0.00 0.10 0.00 0.00 66.02 66.95 3hwx s SER 411 CO 0.02 -1.18 1.06 0.59 0.98 0.00 0.00 173.24 174.70 3hwx n ASN 412 N -0.44 4.95 -1.36 7.02 3.02 -1.26 -4.88 115.26 122.31 3hwx n ASN 412 Ca -0.06 -3.40 0.08 0.00 -0.03 0.00 0.00 54.58 51.17 3hwx n ASN 412 Cb 0.60 -0.97 0.32 0.00 -0.61 0.00 0.00 39.78 39.12 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 1.22 3.63 0.00 3.52 5.12 -1.26 -2.93 116.66 125.96 3hwx n ARG 413 Ca 0.27 -2.81 0.00 0.00 -1.93 0.00 0.00 57.85 53.38 3hwx n ARG 413 Cb 0.37 -1.86 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 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 0.62 -0.77 0.13 -0.13 0.00 -1.26 -4.40 105.19 99.39 3hwx n GLY 414 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 3hwx n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx h ALA 415 N -2.00 0.69 -1.15 4.61 0.00 -1.87 -3.49 119.26 116.04 3hwx h ALA 415 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3hwx h ALA 415 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hwx h ALA 415 CO 0.00 0.58 -0.09 0.43 0.00 0.00 0.00 179.25 180.16 3hwx n SER 416 N -3.07 -2.25 -4.72 0.00 7.64 -1.15 -4.98 113.62 105.08 3hwx n SER 416 Ca -0.01 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 3hwx n SER 416 Cb 0.72 -1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 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 -2.96 2.57 -0.02 0.23 0.00 -1.26 -4.89 107.32 100.99 3hwx s GLY 417 Ca 0.05 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.63 3hwx s GLY 417 CO 0.06 1.91 0.61 0.29 0.00 0.00 0.00 173.10 175.97 3hwx n ILE 418 N 3.32 0.24 0.11 0.90 -5.35 -1.26 -4.27 119.36 113.05 3hwx n ILE 418 Ca 0.07 -0.10 0.11 0.00 -0.27 0.00 0.00 62.75 62.56 3hwx n ILE 418 Cb 0.46 -0.51 -0.07 0.00 -1.74 0.00 0.00 39.64 37.78 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 0.06 0.45 -0.20 7.28 5.75 -1.26 -4.62 116.55 124.01 3hwx n ASP 419 Ca 0.02 0.11 0.04 0.00 -0.01 0.00 0.00 54.79 54.95 3hwx n ASP 419 Cb 0.33 1.17 0.06 0.00 -1.03 0.00 0.00 41.12 41.65 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 1.24 2.29 0.11 6.12 0.00 -1.26 -4.35 105.19 109.34 3hwx n GLY 420 Ca -0.02 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.24 0.24 0.99 3.38 -1.84 0.21 115.31 118.54 3hwx h LEU 421 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hwx h LEU 421 Cb 1.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hwx h LEU 421 CO 0.00 0.23 -0.12 -0.07 0.09 0.00 0.00 178.44 178.57 3hwx h LEU 422 N 0.24 -0.28 -1.70 1.67 3.38 -1.89 -0.49 115.31 116.24 3hwx h LEU 422 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hwx h LEU 422 Cb 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hwx h LEU 422 CO -0.01 -0.08 -0.10 0.77 0.09 0.00 0.00 178.44 179.11 3hwx h SER 423 N -0.46 0.06 0.76 -0.43 4.64 -1.84 -0.95 113.55 115.33 3hwx h SER 423 Ca -0.03 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 3hwx h SER 423 Cb 0.35 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3hwx h SER 423 CO 0.05 0.17 -0.47 0.74 -0.87 0.00 0.00 176.83 176.45 3hwx h THR 424 N 0.07 1.11 0.09 2.95 2.02 0.35 -2.60 112.91 116.90 3hwx h THR 424 Ca 0.01 -1.77 -0.26 0.00 0.77 0.00 0.00 66.41 65.16 3hwx h THR 424 Cb 0.22 2.02 0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3hwx h THR 424 CO 0.01 0.47 -1.15 0.00 0.37 0.00 0.00 175.52 175.22 3hwx h ALA 425 N 1.53 0.17 -0.25 6.16 0.00 0.21 -1.22 119.26 125.85 3hwx h ALA 425 Ca -0.00 -0.82 0.02 0.00 0.00 0.00 0.00 54.91 54.10 3hwx h ALA 425 Cb 0.98 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hwx h ALA 425 CO 0.06 0.89 0.12 0.00 0.00 0.00 0.00 179.25 180.33 3hwx h ALA 426 N 0.61 0.30 -0.72 0.00 0.00 -1.18 0.21 119.26 118.48 3hwx h ALA 426 Ca -0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hwx h ALA 426 Cb 1.85 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3hwx h ALA 426 CO 0.20 -0.28 0.47 0.78 0.00 0.00 0.00 179.25 180.42 3hwx h GLY 427 N 0.26 1.01 1.33 0.00 0.00 -1.30 -0.88 103.07 103.49 3hwx h GLY 427 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3hwx h GLY 427 CO -0.07 0.37 -0.09 -2.08 0.00 0.00 0.00 176.54 174.67 3hwx h VAL 428 N 0.98 1.26 0.52 4.60 2.07 -0.29 -2.51 116.25 122.87 3hwx h VAL 428 Ca 0.26 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3hwx h VAL 428 Cb -0.11 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3hwx h VAL 428 CO -0.06 0.40 -0.25 -0.61 0.02 0.00 0.00 177.57 177.07 3hwx h GLN 429 N 0.73 -0.67 -0.87 1.57 -0.00 0.66 -3.32 115.11 113.21 3hwx h GLN 429 Ca 0.13 0.05 0.13 0.00 -0.00 0.00 0.00 58.65 58.96 3hwx h GLN 429 Cb 0.57 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.14 3hwx h GLN 429 CO 0.04 -0.39 0.56 0.00 0.00 0.00 0.00 178.83 179.04 3hwx h ARG 430 N -1.10 0.67 0.84 1.69 3.08 -1.28 0.47 114.38 118.75 3hwx h ARG 430 Ca -0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3hwx h ARG 430 Cb 0.59 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.49 3hwx h ARG 430 CO 0.12 0.45 -0.43 0.00 -1.07 0.00 0.00 179.97 179.03 3hwx h ALA 431 N 1.60 -1.30 0.00 0.04 0.00 -1.60 -3.28 119.26 114.71 3hwx h ALA 431 Ca 0.43 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3hwx h ALA 431 Cb 0.67 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3hwx h ALA 431 CO -0.19 -1.22 -0.87 0.66 0.00 0.00 0.00 179.25 177.62 3hwx h SER 432 N -1.16 0.00 -0.27 0.00 4.64 -1.62 -3.47 113.55 111.67 3hwx h SER 432 Ca -0.12 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.09 3hwx h SER 432 Cb 0.90 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.94 3hwx h SER 432 CO 0.17 0.87 -0.11 0.61 -0.87 0.00 0.00 176.83 177.51 3hwx n GLY 433 N 1.17 0.82 3.91 -0.77 0.00 0.16 -5.05 105.19 105.43 3hwx n GLY 433 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.34 3.45 -0.18 1.61 1.02 -1.25 -4.51 119.74 117.55 3hwx s LYS 434 Ca 0.00 -0.32 -0.35 0.00 0.02 0.00 0.00 55.97 55.32 3hwx s LYS 434 Cb 0.00 -3.09 -0.16 0.00 -0.52 0.00 0.00 37.83 34.06 3hwx s LYS 434 CO 0.00 0.67 1.06 -2.30 -0.92 0.00 0.00 175.35 173.86 3hwx n PRO 435 N 0.88 0.00 -4.98 -1.68 -0.02 -1.26 -4.81 135.00 123.13 3hwx n PRO 435 Ca -0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.09 3hwx n PRO 435 Cb 0.52 -1.23 -0.15 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.06 1.89 -0.29 3.45 2.01 -0.29 -2.37 115.64 121.10 3hwx s THR 436 Ca 0.79 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 61.67 3hwx s THR 436 Cb -1.12 -1.60 0.08 0.00 0.01 0.00 0.00 72.50 69.87 3hwx s THR 436 CO 0.55 0.41 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.66 3hwx s LEU 437 N -0.88 3.69 -0.04 4.42 2.96 -1.02 0.12 118.68 127.94 3hwx s LEU 437 Ca 0.09 -1.68 0.06 0.00 -0.22 0.00 0.00 54.13 52.39 3hwx s LEU 437 Cb -0.09 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 3hwx s LEU 437 CO 0.01 -0.29 -0.22 0.00 -1.32 0.00 0.00 176.35 174.52 3hwx s ALA 438 N 1.12 2.33 0.11 5.97 0.00 -0.69 -0.72 121.76 129.87 3hwx s ALA 438 Ca 0.01 -1.06 0.10 0.00 0.00 0.00 0.00 51.96 51.01 3hwx s ALA 438 Cb -0.19 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3hwx s ALA 438 CO -0.08 0.52 -0.26 0.42 0.00 0.00 0.00 175.76 176.36 3hwx s ILE 439 N -0.58 2.18 -0.28 0.00 1.01 -0.84 -1.29 121.20 121.40 3hwx s ILE 439 Ca 0.09 -1.66 -0.21 0.00 0.00 0.00 0.00 60.65 58.86 3hwx s ILE 439 Cb -0.11 -1.92 0.11 0.00 0.01 0.00 0.00 42.46 40.56 3hwx s ILE 439 CO 0.00 0.13 0.90 -0.69 0.00 0.00 0.00 174.94 175.27 3hwx s VAL 440 N -1.02 0.00 0.46 2.92 1.01 -0.28 -0.35 120.40 123.14 3hwx s VAL 440 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 3hwx s VAL 440 Cb -0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 3hwx s VAL 440 CO 0.05 0.00 0.83 -0.83 0.00 0.00 0.00 175.10 175.15 3hwx s GLY 441 N 0.80 1.82 0.13 4.51 0.00 -1.26 0.45 107.32 113.76 3hwx s GLY 441 Ca -0.03 -0.21 -0.32 0.00 0.00 0.00 0.00 44.72 44.16 3hwx s GLY 441 CO -0.10 -0.01 1.53 1.29 0.00 0.00 0.00 173.10 175.82 3hwx h ASP 442 N 0.78 -1.87 -0.38 1.64 2.03 -1.25 -1.02 116.42 116.36 3hwx h ASP 442 Ca -0.47 0.25 0.06 0.00 -0.73 0.00 0.00 57.03 56.15 3hwx h ASP 442 Cb 1.19 0.78 -0.02 0.00 -0.83 0.00 0.00 39.33 40.45 3hwx h ASP 442 CO 0.63 -0.37 0.26 -0.07 -1.03 0.00 0.00 179.24 178.66 3hwx h LEU 443 N -0.33 0.22 -0.03 0.15 3.38 -1.89 -1.34 115.31 115.47 3hwx h LEU 443 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hwx h LEU 443 Cb 0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hwx h LEU 443 CO -0.64 0.14 -0.06 0.28 0.09 0.00 0.00 178.44 178.26 3hwx h SER 444 N 0.25 -0.17 -1.01 -0.43 0.02 -1.45 0.60 113.55 111.35 3hwx h SER 444 Ca 0.17 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3hwx h SER 444 Cb 0.36 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 3hwx h SER 444 CO -0.03 -0.08 0.66 0.00 -1.14 0.00 0.00 176.83 176.23 3hwx h ALA 445 N 0.94 1.34 -0.22 3.77 0.00 -1.05 -1.79 119.26 122.24 3hwx h ALA 445 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hwx h ALA 445 Cb 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hwx h ALA 445 CO -0.08 0.55 0.08 -0.07 0.00 0.00 0.00 179.25 179.73 3hwx h LEU 446 N 1.27 0.31 -1.49 0.00 3.38 -0.97 0.20 115.31 118.01 3hwx h LEU 446 Ca 0.40 -0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.42 3hwx h LEU 446 Cb 0.01 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3hwx h LEU 446 CO -0.13 0.40 0.62 0.22 0.09 0.00 0.00 178.44 179.64 3hwx h TYR 447 N 0.20 0.56 -0.14 1.13 5.03 0.11 -1.82 116.97 122.03 3hwx h TYR 447 Ca 0.07 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.26 3hwx h TYR 447 Cb 0.19 -0.17 -0.19 0.00 1.55 0.00 0.00 36.73 38.11 3hwx h TYR 447 CO -0.01 0.12 -0.72 -3.47 -1.32 0.00 0.00 178.16 172.76 3hwx n ASP 448 N -4.53 2.00 -0.35 -2.11 -0.08 -1.04 -4.86 116.55 105.58 3hwx n ASP 448 Ca 0.21 -3.29 0.25 0.00 -1.51 0.00 0.00 54.79 50.45 3hwx n ASP 448 Cb 0.76 -0.44 0.53 0.00 2.34 0.00 0.00 41.12 44.30 3hwx n ASP 448 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3hwx h LEU 449 N 1.28 0.42 -0.87 -2.67 5.85 0.31 0.23 115.31 119.86 3hwx h LEU 449 Ca -0.01 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hwx h LEU 449 Cb 1.32 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3hwx h LEU 449 CO 0.15 0.02 0.00 -0.55 -0.34 0.00 0.00 178.44 177.72 3hwx h ASN 450 N 0.34 0.00 0.20 1.25 7.08 -1.85 -1.95 115.58 120.64 3hwx h ASN 450 Ca 0.65 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.87 3hwx h ASN 450 Cb 1.71 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.95 3hwx h ASN 450 CO -0.34 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.01 3hwx n ALA 451 N -1.87 1.69 -0.09 4.14 0.00 0.80 -1.56 120.51 123.60 3hwx n ALA 451 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3hwx n ALA 451 Cb 0.27 -1.18 0.48 0.00 0.00 0.00 0.00 19.45 19.02 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 0.41 0.04 0.00 3.38 -1.49 -2.06 115.31 115.59 3hwx h LEU 452 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hwx h LEU 452 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hwx h LEU 452 CO 0.00 0.25 -0.10 0.00 0.09 0.00 0.00 178.44 178.68 3hwx h ALA 453 N 1.69 -0.14 -0.36 1.53 0.00 -1.54 -2.40 119.26 118.05 3hwx h ALA 453 Ca 0.27 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.28 3hwx h ALA 453 Cb 0.48 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hwx h ALA 453 CO -0.08 -0.60 0.37 -0.07 0.00 0.00 0.00 179.25 178.87 3hwx h LEU 454 N -0.18 0.00 -0.06 0.00 3.38 -1.57 -1.99 115.31 114.89 3hwx h LEU 454 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hwx h LEU 454 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hwx h LEU 454 CO -0.07 0.00 -0.09 0.18 0.09 0.00 0.00 178.44 178.55 3hwx n LEU 455 N -3.82 0.18 0.17 1.67 4.77 -0.90 -2.41 117.00 116.66 3hwx n LEU 455 Ca 0.06 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 3hwx n LEU 455 Cb 0.54 -0.33 0.62 0.00 -2.33 0.00 0.00 43.42 41.91 3hwx n LEU 455 CO 0.29 0.04 0.87 0.03 -1.33 0.00 0.00 177.39 177.29 3hwx h ARG 456 N 0.13 0.00 -3.42 3.23 3.08 -1.38 -3.36 114.38 112.67 3hwx h ARG 456 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3hwx h ARG 456 Cb 0.41 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.06 3hwx h ARG 456 CO 0.00 0.00 -0.75 -0.65 -1.07 0.00 0.00 179.97 177.50 3hwx s GLN 457 N -3.55 1.00 0.08 0.04 -0.21 -1.01 -4.91 119.66 111.10 3hwx s GLN 457 Ca -0.01 -1.51 0.04 0.00 0.02 0.00 0.00 55.36 53.90 3hwx s GLN 457 Cb 0.08 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 3hwx s GLN 457 CO 0.28 -1.05 -0.11 0.14 -2.12 0.00 0.00 175.29 172.43 3hwx s VAL 458 N 1.05 0.91 -2.49 1.09 -7.23 -1.26 -4.97 120.40 107.50 3hwx s VAL 458 Ca 0.13 -1.46 0.23 0.00 -1.81 0.00 0.00 61.98 59.07 3hwx s VAL 458 Cb -0.20 -1.16 0.42 0.00 0.56 0.00 0.00 36.38 35.99 3hwx s VAL 458 CO -0.13 -0.45 1.49 -1.54 -0.31 0.00 0.00 175.10 174.16 3hwx n SER 459 N 0.88 2.36 -3.61 4.85 3.41 -1.26 -4.67 113.62 115.57 3hwx n SER 459 Ca -0.18 -1.80 -0.05 0.00 -0.26 0.00 0.00 58.87 56.57 3hwx n SER 459 Cb 0.56 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 3hwx n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx s ALA 460 N -1.78 -2.04 0.24 7.33 0.00 -1.26 -4.90 121.76 119.34 3hwx s ALA 460 Ca 0.34 1.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.75 3hwx s ALA 460 Cb 0.20 -1.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.08 3hwx s ALA 460 CO 0.30 -0.29 1.39 -0.35 0.00 0.00 0.00 175.76 176.81 3hwx n PRO 461 N 0.55 2.00 -4.75 0.00 -0.04 -1.20 -4.44 135.00 127.12 3hwx n PRO 461 Ca -0.04 0.71 -0.30 0.00 -0.04 0.00 0.00 63.50 63.83 3hwx n PRO 461 Cb 0.58 -2.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 3hwx n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hwx s LEU 462 N 0.09 1.94 -0.18 1.53 0.20 -1.19 -1.14 118.68 119.93 3hwx s LEU 462 Ca 0.68 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.91 3hwx s LEU 462 Cb -0.65 -1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 3hwx s LEU 462 CO 0.50 0.08 0.08 -0.69 -0.29 0.00 0.00 176.35 176.03 3hwx s VAL 463 N 0.72 4.94 -0.27 1.68 1.01 0.12 -0.47 120.40 128.13 3hwx s VAL 463 Ca -0.11 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3hwx s VAL 463 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.02 3hwx s VAL 463 CO 0.02 0.48 0.01 -0.22 0.00 0.00 0.00 175.10 175.38 3hwx s LEU 464 N 0.20 3.46 -0.24 3.92 2.96 -0.13 -1.71 118.68 127.15 3hwx s LEU 464 Ca 0.05 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 3hwx s LEU 464 Cb -0.12 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3hwx s LEU 464 CO 0.00 -0.14 0.24 -0.63 -1.32 0.00 0.00 176.35 174.50 3hwx s ILE 465 N 1.43 5.29 -0.46 6.68 1.01 -0.41 -0.48 121.20 134.26 3hwx s ILE 465 Ca 0.02 0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 3hwx s ILE 465 Cb -0.17 -3.58 0.10 0.00 0.01 0.00 0.00 42.46 38.82 3hwx s ILE 465 CO -0.01 0.29 0.34 -0.69 0.00 0.00 0.00 174.94 174.86 3hwx s VAL 466 N 1.33 4.50 -0.61 2.92 1.01 0.22 -1.13 120.40 128.64 3hwx s VAL 466 Ca 0.11 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 3hwx s VAL 466 Cb -0.14 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3hwx s VAL 466 CO 0.07 -0.64 1.14 -0.69 0.00 0.00 0.00 175.10 174.98 3hwx s VAL 467 N 1.46 4.06 -0.44 2.92 1.01 0.17 -1.68 120.40 127.90 3hwx s VAL 467 Ca 0.04 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 3hwx s VAL 467 Cb -0.25 -4.72 0.07 0.00 0.00 0.00 0.00 36.38 31.48 3hwx s VAL 467 CO 0.02 -1.40 0.33 0.21 0.00 0.00 0.00 175.10 174.27 3hwx s ASN 468 N 3.12 5.96 -0.09 3.32 3.84 -0.34 -0.78 114.94 129.97 3hwx s ASN 468 Ca 0.38 -1.31 0.13 0.00 0.21 0.00 0.00 52.86 52.26 3hwx s ASN 468 Cb -0.09 -2.11 0.24 0.00 -0.55 0.00 0.00 41.25 38.73 3hwx s ASN 468 CO 0.21 -0.57 1.14 -0.46 -2.79 0.00 0.00 177.10 174.63 3hwx n ASN 469 N 5.10 2.46 -2.94 -4.21 0.23 -1.26 -1.55 115.26 113.10 3hwx n ASN 469 Ca -0.12 -2.71 -0.11 0.00 -0.53 0.00 0.00 54.58 51.11 3hwx n ASN 469 Cb 0.44 -0.31 0.05 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.95 -5.94 0.00 0.53 5.15 -1.26 -4.05 115.26 108.73 3hwx n ASN 470 Ca 0.12 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 3hwx n ASN 470 Cb 0.55 -4.42 0.00 0.00 -0.53 0.00 0.00 39.78 35.37 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 -1.31 0.86 2.96 8.20 0.00 -1.26 -4.19 105.19 110.45 3hwx n GLY 471 Ca -0.05 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.91 4.71 0.00 -0.02 0.00 -0.34 -4.68 105.19 103.95 3hwx n GLY 472 Ca 0.00 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 3.44 0.30 0.20 1.61 1.13 -1.26 0.34 117.38 123.14 3hwx n GLN 473 Ca 0.36 0.09 0.14 0.00 -1.94 0.00 0.00 57.00 55.65 3hwx n GLN 473 Cb 0.36 -1.50 0.73 0.00 0.11 0.00 0.00 30.24 29.94 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 0.00 -0.14 5.09 2.10 -1.96 0.65 117.51 123.25 3hwx h ILE 474 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3hwx h ILE 474 Cb 0.08 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.42 3hwx h ILE 474 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3hwx n PHE 475 N -2.44 0.18 0.23 2.19 3.72 0.15 -1.03 117.46 120.45 3hwx n PHE 475 Ca -0.02 -0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.40 3hwx n PHE 475 Cb 0.05 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.44 3hwx n PHE 475 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hwx n SER 476 N 0.44 0.45 0.02 4.37 7.64 0.18 -4.35 113.62 122.37 3hwx n SER 476 Ca 0.17 -0.24 -0.18 0.00 1.01 0.00 0.00 58.87 59.63 3hwx n SER 476 Cb 0.37 1.71 -0.11 0.00 -1.01 0.00 0.00 64.21 65.17 3hwx n SER 476 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hwx h LEU 477 N 0.00 0.61 -9.86 -3.43 5.85 -1.04 -3.46 115.31 103.98 3hwx h LEU 477 Ca 0.00 -0.77 -0.50 0.00 0.84 0.00 0.00 57.88 57.45 3hwx h LEU 477 Cb 0.83 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hwx h LEU 477 CO 0.00 1.30 0.47 -0.76 -0.34 0.00 0.00 178.44 179.11 3hwx s LEU 478 N -8.26 4.40 0.00 2.25 1.43 -0.20 -4.91 118.68 113.40 3hwx s LEU 478 Ca -0.12 2.23 -0.03 0.00 -1.03 0.00 0.00 54.13 55.18 3hwx s LEU 478 Cb 0.04 -3.82 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 3hwx s LEU 478 CO 0.84 -0.31 2.43 -0.81 0.23 0.00 0.00 176.35 178.74 3hwx n PRO 479 N 0.72 1.28 -1.57 1.29 -0.04 -1.26 -4.84 135.00 130.58 3hwx n PRO 479 Ca 0.01 -0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 62.67 3hwx n PRO 479 Cb 0.46 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 3hwx n PRO 479 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hwx n THR 480 N 2.09 3.76 -1.71 0.52 -2.24 -1.26 -4.85 114.28 110.59 3hwx n THR 480 Ca 0.19 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 3hwx n THR 480 Cb 0.60 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 3hwx n THR 480 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3hwx s PRO 481 N -3.06 3.69 0.29 -0.78 0.04 -1.26 -4.86 135.00 129.06 3hwx s PRO 481 Ca 0.77 2.25 0.02 0.00 0.04 0.00 0.00 61.00 64.08 3hwx s PRO 481 Cb -0.39 -4.23 0.73 0.00 0.04 0.00 0.00 34.50 30.66 3hwx s PRO 481 CO 0.46 -1.46 1.63 1.96 0.04 0.00 0.00 177.00 179.63 3hwx h GLN 482 N 12.40 0.15 -0.43 4.56 4.20 -1.99 -1.74 115.11 132.26 3hwx h GLN 482 Ca -0.44 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.16 3hwx h GLN 482 Cb 1.23 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 3hwx h GLN 482 CO 0.96 0.10 -0.14 1.03 -0.67 0.00 0.00 178.83 180.10 3hwx h SER 483 N 0.15 0.80 -0.02 1.46 0.87 -2.03 -2.85 113.55 111.93 3hwx h SER 483 Ca 0.57 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3hwx h SER 483 Cb 1.17 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3hwx h SER 483 CO -0.71 0.95 -0.35 -0.62 -0.53 0.00 0.00 176.83 175.57 3hwx n GLU 484 N -4.15 1.51 -0.27 2.24 4.71 -1.05 -4.67 120.64 118.96 3hwx n GLU 484 Ca 0.01 -1.20 -0.06 0.00 -0.01 0.00 0.00 57.16 55.90 3hwx n GLU 484 Cb 0.39 -1.45 0.07 0.00 -1.01 0.00 0.00 31.44 29.44 3hwx n GLU 484 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3hwx h ARG 485 N 2.91 1.16 -0.32 3.49 0.11 -1.07 -2.19 114.38 118.46 3hwx h ARG 485 Ca 0.00 -0.23 -0.03 0.00 0.10 0.00 0.00 59.98 59.82 3hwx h ARG 485 Cb 0.79 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 3hwx h ARG 485 CO 0.00 0.97 0.10 1.49 0.10 0.00 0.00 179.97 182.62 3hwx h GLU 486 N 1.12 0.50 0.08 0.08 4.81 -1.83 0.17 114.58 119.52 3hwx h GLU 486 Ca 0.25 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 59.11 3hwx h GLU 486 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3hwx h GLU 486 CO -0.01 0.54 -1.24 -0.09 -0.73 0.00 0.00 179.01 177.48 3hwx h ARG 487 N 0.36 0.18 -0.00 1.92 2.43 -1.87 -2.26 114.38 115.13 3hwx h ARG 487 Ca 0.10 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3hwx h ARG 487 Cb 0.25 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hwx h ARG 487 CO -0.00 1.11 -0.24 1.19 -1.51 0.00 0.00 179.97 180.52 3hwx n PHE 488 N -3.45 0.00 0.03 2.20 3.72 -0.83 -4.50 117.46 114.63 3hwx n PHE 488 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3hwx n PHE 488 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 -0.72 -0.11 0.12 1.38 4.02 -0.85 -4.86 117.16 116.13 3hwx n TYR 489 Ca 0.02 0.02 -0.01 0.00 -0.01 0.00 0.00 57.90 57.92 3hwx n TYR 489 Cb 0.13 0.04 0.25 0.00 -0.02 0.00 0.00 39.34 39.74 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hwx h LEU 490 N 0.00 0.16 -2.78 7.72 3.38 -0.77 -3.42 115.31 119.61 3hwx h LEU 490 Ca 0.00 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 3hwx h LEU 490 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hwx h LEU 490 CO 0.00 0.57 -0.36 0.23 0.09 0.00 0.00 178.44 178.98 3hwx n MET 491 N -4.01 -0.56 -1.70 1.13 2.81 -0.85 -1.20 117.12 112.74 3hwx n MET 491 Ca -0.02 0.13 -0.43 0.00 -1.81 0.00 0.00 57.70 55.57 3hwx n MET 491 Cb 0.48 -0.61 -0.03 0.00 -0.71 0.00 0.00 33.22 32.35 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 -1.41 2.64 0.02 0.03 -0.04 -1.26 -4.59 135.00 130.40 3hwx n PRO 492 Ca -0.09 0.95 0.11 0.00 -0.04 0.00 0.00 63.50 64.43 3hwx n PRO 492 Cb 0.22 -2.79 0.03 0.00 -0.04 0.00 0.00 33.50 30.91 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 4.07 0.26 -3.38 0.54 1.13 -1.26 -4.93 117.38 113.81 3hwx n GLN 493 Ca 0.17 -0.01 -0.20 0.00 -1.94 0.00 0.00 57.00 55.02 3hwx n GLN 493 Cb 0.34 -1.58 0.06 0.00 0.11 0.00 0.00 30.24 29.17 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 -1.92 -6.27 -4.17 1.08 3.02 -1.26 -5.02 115.26 100.72 3hwx n ASN 494 Ca 0.02 -0.79 -0.11 0.00 -0.03 0.00 0.00 54.58 53.66 3hwx n ASN 494 Cb 0.43 -4.64 -0.10 0.00 -0.61 0.00 0.00 39.78 34.86 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 -3.40 0.01 0.33 2.41 0.11 -1.26 -5.18 120.40 113.43 3hwx s VAL 495 Ca 0.46 -1.93 0.04 0.00 -2.93 0.00 0.00 61.98 57.61 3hwx s VAL 495 Cb -0.09 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 3hwx s VAL 495 CO 0.78 -0.06 0.17 -1.00 -3.33 0.00 0.00 175.10 171.66 3hwx s HIS 496 N -4.13 1.67 -0.11 1.54 3.76 -1.26 -5.04 115.29 111.73 3hwx s HIS 496 Ca 0.35 -1.41 0.16 0.00 -0.15 0.00 0.00 55.06 54.02 3hwx s HIS 496 Cb 0.06 -0.90 0.24 0.00 1.11 0.00 0.00 32.58 33.10 3hwx s HIS 496 CO 0.10 -0.54 1.12 1.19 -0.85 0.00 0.00 174.74 175.77 3hwx n PHE 497 N -0.66 0.00 -0.04 1.40 3.01 -1.26 -4.65 117.46 115.26 3hwx n PHE 497 Ca 0.01 -0.86 -0.14 0.00 1.01 0.00 0.00 57.45 57.47 3hwx n PHE 497 Cb 0.64 -0.13 -0.09 0.00 -0.01 0.00 0.00 39.48 39.89 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 0.00 0.23 -0.46 -1.08 4.81 -1.98 -1.12 114.58 114.97 3hwx h GLU 498 Ca 0.00 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 3hwx h GLU 498 Cb 1.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3hwx h GLU 498 CO 0.00 0.77 -0.26 0.45 -0.73 0.00 0.00 179.01 179.24 3hwx h HIS 499 N -0.27 1.15 -0.33 0.92 3.86 -1.99 0.22 115.15 118.72 3hwx h HIS 499 Ca -0.00 -0.29 0.07 0.00 -1.16 0.00 0.00 60.37 58.98 3hwx h HIS 499 Cb 0.77 -0.26 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 3hwx h HIS 499 CO 0.12 1.13 -0.13 0.00 0.86 0.00 0.00 177.93 179.91 3hwx h ALA 500 N 0.85 0.14 -0.08 2.45 0.00 -1.84 -0.24 119.26 120.54 3hwx h ALA 500 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hwx h ALA 500 Cb 0.84 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hwx h ALA 500 CO 0.07 -0.51 0.06 0.00 0.00 0.00 0.00 179.25 178.87 3hwx h ALA 501 N 1.21 0.11 -0.73 0.00 0.00 -0.57 -3.08 119.26 116.19 3hwx h ALA 501 Ca 0.16 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3hwx h ALA 501 Cb 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3hwx h ALA 501 CO -0.37 -0.40 0.33 0.00 0.00 0.00 0.00 179.25 178.81 3hwx h ALA 502 N 1.03 1.03 -0.81 0.00 0.00 -0.23 -1.35 119.26 118.92 3hwx h ALA 502 Ca 0.03 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3hwx h ALA 502 Cb -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3hwx h ALA 502 CO -0.01 -0.13 0.53 1.98 0.00 0.00 0.00 179.25 181.62 3hwx h MET 503 N 0.52 0.81 -0.50 0.00 -1.53 -0.96 -2.50 114.93 110.77 3hwx h MET 503 Ca 0.38 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.59 3hwx h MET 503 Cb 0.50 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 3hwx h MET 503 CO -0.34 0.54 0.00 1.19 0.14 0.00 0.00 176.91 178.44 3hwx n PHE 504 N -4.50 0.66 -3.10 1.39 3.72 -0.96 -4.99 117.46 109.69 3hwx n PHE 504 Ca 0.13 -0.39 -0.13 0.00 -0.05 0.00 0.00 57.45 57.00 3hwx n PHE 504 Cb 0.26 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 38.86 3hwx n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hwx n GLU 505 N 1.30 -5.09 -4.89 -1.08 1.02 -0.64 -4.82 120.64 106.44 3hwx n GLU 505 Ca 0.19 0.64 -0.33 0.00 -0.02 0.00 0.00 57.16 57.64 3hwx n GLU 505 Cb 0.56 -5.04 -0.15 0.00 -0.02 0.00 0.00 31.44 26.79 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 -5.33 2.57 0.24 -4.62 1.43 -0.60 -5.02 118.68 107.36 3hwx s LEU 506 Ca 0.04 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 3hwx s LEU 506 Cb -0.02 -1.56 -0.15 0.00 0.03 0.00 0.00 46.19 44.49 3hwx s LEU 506 CO 0.55 0.17 1.07 0.29 0.23 0.00 0.00 176.35 178.66 3hwx n LYS 507 N 3.46 1.28 -4.70 1.70 5.02 -1.26 -4.33 118.16 119.33 3hwx n LYS 507 Ca -0.18 0.45 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 3hwx n LYS 507 Cb 0.53 -1.87 -0.16 0.00 -0.02 0.00 0.00 35.03 33.51 3hwx n LYS 507 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hwx s TYR 508 N -0.70 1.42 -0.01 2.13 5.04 -1.26 0.85 117.35 124.82 3hwx s TYR 508 Ca 0.64 -0.34 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 3hwx s TYR 508 Cb -0.76 -0.95 0.01 0.00 0.35 0.00 0.00 41.96 40.61 3hwx s TYR 508 CO 0.57 -0.09 -0.01 -1.01 -1.34 0.00 0.00 175.55 173.66 3hwx s HIS 509 N -0.09 0.23 -0.71 4.97 3.76 0.17 -4.97 115.29 118.65 3hwx s HIS 509 Ca 0.00 -0.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.93 3hwx s HIS 509 Cb -0.09 -0.22 0.17 0.00 1.11 0.00 0.00 32.58 33.56 3hwx s HIS 509 CO 0.01 -0.04 0.51 0.50 -0.85 0.00 0.00 174.74 174.87 3hwx s ARG 510 N 0.30 2.54 0.37 1.40 3.52 -1.26 -0.80 118.95 125.02 3hwx s ARG 510 Ca -0.03 -3.28 -0.28 0.00 -0.13 0.00 0.00 55.73 52.02 3hwx s ARG 510 Cb -0.05 -3.49 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 3hwx s ARG 510 CO -0.01 -1.27 1.39 -1.25 -0.81 0.00 0.00 175.30 173.36 3hwx s PRO 511 N -1.34 4.15 -0.01 5.12 0.04 -1.26 -4.97 135.00 136.73 3hwx s PRO 511 Ca 0.24 2.38 0.16 0.00 0.04 0.00 0.00 61.00 63.83 3hwx s PRO 511 Cb -0.07 -2.95 -0.20 0.00 0.04 0.00 0.00 34.50 31.32 3hwx s PRO 511 CO -0.15 -0.43 0.56 1.04 0.04 0.00 0.00 177.00 178.07 3hwx n GLN 512 N 0.49 1.28 -4.07 4.56 6.02 -1.26 -4.75 117.38 119.66 3hwx n GLN 512 Ca 0.01 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 3hwx n GLN 512 Cb 0.41 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 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 -3.01 0.12 0.55 1.08 2.20 -1.26 -5.03 114.94 109.58 3hwx s ASN 513 Ca 0.02 -1.08 0.31 0.00 -0.94 0.00 0.00 52.86 51.17 3hwx s ASN 513 Cb 0.11 0.41 1.47 0.00 -2.00 0.00 0.00 41.25 41.24 3hwx s ASN 513 CO 0.66 -0.87 1.89 -0.50 -2.94 0.00 0.00 177.10 175.34 3hwx h TRP 514 N 2.61 0.00 -0.16 1.54 4.06 -1.95 -1.75 115.95 120.30 3hwx h TRP 514 Ca -0.33 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.55 3hwx h TRP 514 Cb 1.23 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.39 3hwx h TRP 514 CO 0.40 0.00 -0.20 0.37 -3.56 0.00 0.00 178.44 175.45 3hwx h GLN 515 N 0.00 0.41 -0.30 0.49 -0.00 -2.00 -2.30 115.11 111.41 3hwx h GLN 515 Ca 0.38 -0.23 -0.09 0.00 -0.00 0.00 0.00 58.65 58.71 3hwx h GLN 515 Cb 1.60 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 29.08 3hwx h GLN 515 CO -0.00 0.81 -0.19 0.93 0.00 0.00 0.00 178.83 180.37 3hwx h GLU 516 N 0.04 0.55 -0.15 1.69 5.08 -1.76 -2.37 114.58 117.66 3hwx h GLU 516 Ca 0.02 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3hwx h GLU 516 Cb 0.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3hwx h GLU 516 CO 0.05 0.71 0.08 1.25 -1.00 0.00 0.00 179.01 180.10 3hwx h LEU 517 N 0.49 0.13 -1.32 1.33 5.85 -1.33 -1.65 115.31 118.81 3hwx h LEU 517 Ca 0.08 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3hwx h LEU 517 Cb 0.61 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hwx h LEU 517 CO 0.04 0.10 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.71 3hwx h GLU 518 N 0.17 0.20 0.89 1.25 5.08 -1.24 0.17 114.58 121.11 3hwx h GLU 518 Ca 0.06 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3hwx h GLU 518 Cb -0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hwx h GLU 518 CO -0.03 0.41 -0.43 1.15 -1.00 0.00 0.00 179.01 179.11 3hwx h THR 519 N 0.19 0.00 -0.65 1.13 2.02 -1.18 0.97 112.91 115.39 3hwx h THR 519 Ca 0.03 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3hwx h THR 519 Cb 0.48 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.81 3hwx h THR 519 CO 0.03 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.54 3hwx n ALA 520 N -2.62 -0.42 -0.31 6.16 0.00 -0.64 -1.81 120.51 120.86 3hwx n ALA 520 Ca -0.15 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.89 3hwx n ALA 520 Cb 0.47 0.01 0.20 0.00 0.00 0.00 0.00 19.45 20.13 3hwx n ALA 520 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3hwx h PHE 521 N 0.00 0.92 0.17 0.00 0.04 -0.49 -1.36 116.94 116.21 3hwx h PHE 521 Ca 0.10 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3hwx h PHE 521 Cb 0.27 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3hwx h PHE 521 CO -0.85 0.35 -0.08 0.00 -0.60 0.00 0.00 178.31 177.12 3hwx h ALA 522 N 1.50 -0.23 -0.16 2.45 0.00 -0.02 -3.17 119.26 119.63 3hwx h ALA 522 Ca 0.44 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3hwx h ALA 522 Cb 0.45 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hwx h ALA 522 CO -0.27 -0.47 -0.21 0.22 0.00 0.00 0.00 179.25 178.52 3hwx h ASP 523 N -0.55 0.27 -0.63 0.00 3.58 -1.20 -3.24 116.42 114.65 3hwx h ASP 523 Ca -0.02 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 3hwx h ASP 523 Cb 0.42 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 3hwx h ASP 523 CO 0.04 0.49 0.17 0.00 -2.88 0.00 0.00 179.24 177.07 3hwx h ALA 524 N 1.53 0.83 0.00 -0.78 0.00 -1.23 -2.66 119.26 116.95 3hwx h ALA 524 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 524 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hwx h ALA 524 CO 0.03 0.52 0.00 0.91 0.00 0.00 0.00 179.25 180.71 3hwx n TRP 525 N -4.35 0.00 -0.14 0.00 5.03 -1.20 -3.44 117.44 113.34 3hwx n TRP 525 Ca 0.04 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.68 3hwx n TRP 525 Cb 0.23 -0.00 0.28 0.00 -1.03 0.00 0.00 31.31 30.79 3hwx n TRP 525 CO 0.00 0.00 0.00 2.89 -0.03 0.00 0.00 177.69 180.55 3hwx n ARG 526 N -0.49 2.65 -3.86 -0.99 1.85 -1.00 -4.82 116.66 110.00 3hwx n ARG 526 Ca 0.00 -2.52 -0.11 0.00 -1.00 0.00 0.00 57.85 54.22 3hwx n ARG 526 Cb 0.00 -1.54 -0.10 0.00 -1.05 0.00 0.00 32.46 29.77 3hwx n ARG 526 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3hwx s THR 527 N -1.16 0.07 -1.22 8.89 -4.23 -1.22 -5.06 115.64 111.71 3hwx s THR 527 Ca 0.45 -0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 3hwx s THR 527 Cb 0.24 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.66 3hwx s THR 527 CO 0.32 -0.31 2.07 -0.81 -0.54 0.00 0.00 174.62 175.36 3hwx n PRO 528 N 1.75 2.41 -3.76 3.99 -0.04 -1.26 -3.27 135.00 134.81 3hwx n PRO 528 Ca -0.21 -2.43 -0.13 0.00 -0.04 0.00 0.00 63.50 60.69 3hwx n PRO 528 Cb 0.56 -3.22 -0.10 0.00 -0.04 0.00 0.00 33.50 30.70 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 4.26 0.02 0.22 0.52 -4.23 -1.26 -4.55 115.64 110.61 3hwx s THR 529 Ca 0.52 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.54 3hwx s THR 529 Cb 0.12 -0.51 -0.09 0.00 1.34 0.00 0.00 72.50 73.36 3hwx s THR 529 CO 0.00 -0.10 1.37 -0.89 -0.54 0.00 0.00 174.62 174.46 3hwx s THR 530 N -0.40 2.97 -0.09 3.99 2.01 -1.25 -3.19 115.64 119.69 3hwx s THR 530 Ca -0.05 0.80 0.04 0.00 0.31 0.00 0.00 61.69 62.79 3hwx s THR 530 Cb -0.03 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.97 3hwx s THR 530 CO 0.02 0.12 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.96 3hwx s THR 531 N 0.12 1.90 -0.03 -0.82 2.01 0.38 -3.98 115.64 115.20 3hwx s THR 531 Ca 0.58 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 3hwx s THR 531 Cb -0.39 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 3hwx s THR 531 CO 0.40 0.52 0.49 -0.69 -0.69 0.00 0.00 174.62 174.65 3hwx s VAL 532 N 0.30 5.03 -0.10 3.82 1.01 0.25 -0.96 120.40 129.75 3hwx s VAL 532 Ca -0.15 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 3hwx s VAL 532 Cb -0.17 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3hwx s VAL 532 CO 0.07 0.46 -0.03 -0.63 0.00 0.00 0.00 175.10 174.97 3hwx s ILE 533 N -0.30 0.67 -0.36 2.22 1.01 0.37 -0.66 121.20 124.15 3hwx s ILE 533 Ca 0.26 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 3hwx s ILE 533 Cb -0.17 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.53 3hwx s ILE 533 CO 0.14 0.28 0.20 -0.70 0.00 0.00 0.00 174.94 174.85 3hwx s GLU 534 N 1.85 2.97 -0.61 2.79 2.12 0.02 -0.61 118.70 127.23 3hwx s GLU 534 Ca 0.05 -0.98 -0.21 0.00 0.36 0.00 0.00 54.97 54.18 3hwx s GLU 534 Cb -0.13 -3.70 0.07 0.00 0.26 0.00 0.00 34.13 30.64 3hwx s GLU 534 CO -0.07 -0.63 0.85 -1.64 -0.54 0.00 0.00 175.26 173.24 3hwx s MET 535 N 1.57 3.12 0.06 4.30 -1.94 -0.67 -4.24 119.30 121.50 3hwx s MET 535 Ca 0.03 -0.91 -0.28 0.00 -1.71 0.00 0.00 55.69 52.82 3hwx s MET 535 Cb -0.19 -4.20 -0.05 0.00 2.01 0.00 0.00 34.83 32.40 3hwx s MET 535 CO 0.07 -1.63 0.88 0.08 -0.01 0.00 0.00 175.02 174.40 3hwx s VAL 536 N 3.50 4.67 0.03 -6.03 1.01 -1.26 -1.20 120.40 121.13 3hwx s VAL 536 Ca 0.19 1.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 3hwx s VAL 536 Cb -0.19 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3hwx s VAL 536 CO 0.10 0.31 0.24 0.68 0.00 0.00 0.00 175.10 176.43 3hwx s VAL 537 N 0.18 0.09 0.26 2.92 -7.23 -0.59 -4.96 120.40 111.07 3hwx s VAL 537 Ca 0.44 -0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 59.54 3hwx s VAL 537 Cb -0.22 -0.85 -0.12 0.00 0.56 0.00 0.00 36.38 35.75 3hwx s VAL 537 CO 0.26 -0.42 1.55 0.59 -0.31 0.00 0.00 175.10 176.77 3hwx n ASN 538 N 0.78 3.49 -0.26 4.85 3.02 -1.26 -4.38 115.26 121.49 3hwx n ASN 538 Ca -0.19 1.13 -0.04 0.00 -0.03 0.00 0.00 54.58 55.45 3hwx n ASN 538 Cb 0.58 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.21 3hwx n ASN 538 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hwx n ASP 539 N 2.44 -0.55 -0.00 6.41 5.68 -1.26 -3.83 116.55 125.44 3hwx n ASP 539 Ca 0.11 1.15 0.07 0.00 -0.50 0.00 0.00 54.79 55.62 3hwx n ASP 539 Cb 0.34 -0.21 -0.10 0.00 -1.14 0.00 0.00 41.12 40.01 3hwx n ASP 539 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hwx n THR 540 N -4.90 0.00 -0.33 2.12 -2.24 -1.26 -4.63 114.28 103.05 3hwx n THR 540 Ca 0.04 -0.23 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 3hwx n THR 540 Cb 0.22 0.66 0.36 0.00 -2.10 0.00 0.00 70.33 69.47 3hwx n THR 540 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwx h ASP 541 N 0.00 0.50 0.22 3.42 3.32 -1.96 0.96 116.42 122.89 3hwx h ASP 541 Ca 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hwx h ASP 541 Cb 0.49 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3hwx h ASP 541 CO 0.00 0.03 -0.26 1.23 -1.72 0.00 0.00 179.24 178.52 3hwx h GLY 542 N 0.47 -1.02 0.50 2.75 0.00 -1.82 0.32 103.07 104.28 3hwx h GLY 542 Ca 0.62 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.50 3hwx h GLY 542 CO -0.52 -0.33 0.31 0.00 0.00 0.00 0.00 176.54 176.00 3hwx h ALA 543 N -1.29 0.87 -0.15 3.60 0.00 -1.78 -1.38 119.26 119.13 3hwx h ALA 543 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hwx h ALA 543 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3hwx h ALA 543 CO -0.05 -0.08 -0.07 0.37 0.00 0.00 0.00 179.25 179.42 3hwx h GLN 544 N 0.54 -0.06 -0.09 0.00 4.15 -0.64 -0.58 115.11 118.43 3hwx h GLN 544 Ca 0.31 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.75 3hwx h GLN 544 Cb 0.32 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3hwx h GLN 544 CO -0.25 -0.04 0.02 1.15 -1.93 0.00 0.00 178.83 177.78 3hwx h THR 545 N -0.06 0.97 -0.50 2.39 2.02 0.27 -0.06 112.91 117.94 3hwx h THR 545 Ca 0.08 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3hwx h THR 545 Cb 0.18 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3hwx h THR 545 CO -0.19 0.01 0.22 0.25 0.37 0.00 0.00 175.52 176.19 3hwx h LEU 546 N 0.06 0.29 0.49 2.58 5.85 -1.14 0.74 115.31 124.19 3hwx h LEU 546 Ca 0.04 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3hwx h LEU 546 Cb 0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3hwx h LEU 546 CO -0.05 0.20 -0.33 1.56 -0.34 0.00 0.00 178.44 179.49 3hwx h GLN 547 N 0.44 -0.76 -0.87 1.25 4.20 -0.53 -1.01 115.11 117.83 3hwx h GLN 547 Ca 0.23 0.05 0.23 0.00 0.06 0.00 0.00 58.65 59.21 3hwx h GLN 547 Cb 0.18 0.17 -0.15 0.00 0.30 0.00 0.00 27.48 27.98 3hwx h GLN 547 CO -0.19 -0.51 0.09 1.96 -0.67 0.00 0.00 178.83 179.52 3hwx h GLN 548 N -0.79 0.11 0.01 1.46 4.20 -0.76 -0.97 115.11 118.37 3hwx h GLN 548 Ca -0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hwx h GLN 548 Cb 0.65 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3hwx h GLN 548 CO 0.04 0.07 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.19 3hwx h LEU 549 N 0.11 -0.01 -0.97 1.46 3.38 -0.20 -0.70 115.31 118.39 3hwx h LEU 549 Ca 0.52 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.38 3hwx h LEU 549 Cb 1.02 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 3hwx h LEU 549 CO -0.74 0.22 -0.49 -0.07 0.09 0.00 0.00 178.44 177.45 3hwx h LEU 550 N -0.25 -1.80 0.06 1.67 3.38 -0.50 0.85 115.31 118.72 3hwx h LEU 550 Ca -0.00 0.32 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3hwx h LEU 550 Cb 0.24 0.85 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3hwx h LEU 550 CO 0.00 -0.26 -0.43 0.00 0.09 0.00 0.00 178.44 177.84 3hwx h ALA 551 N 0.90 -0.73 -0.30 1.53 0.00 -0.85 0.36 119.26 120.17 3hwx h ALA 551 Ca 0.24 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hwx h ALA 551 Cb 0.51 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3hwx h ALA 551 CO -0.94 -0.99 0.06 0.37 0.00 0.00 0.00 179.25 177.75 3hwx h GLN 552 N -0.62 0.17 0.00 0.00 4.15 0.29 -1.39 115.11 117.70 3hwx h GLN 552 Ca 0.03 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 3hwx h GLN 552 Cb 0.68 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3hwx h GLN 552 CO -0.29 0.11 -0.46 0.28 -1.93 0.00 0.00 178.83 176.54 3hwx h VAL 553 N 0.17 1.01 0.00 2.39 2.07 -0.77 -2.64 116.25 118.48 3hwx h VAL 553 Ca 0.14 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3hwx h VAL 553 Cb 0.14 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3hwx h VAL 553 CO -0.18 0.45 0.00 -1.54 0.02 0.00 0.00 177.57 176.32 3hwx n SER 554 N -3.53 0.19 -0.05 0.57 3.41 0.11 -3.41 113.62 110.91 3hwx n SER 554 Ca -0.00 0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3hwx n SER 554 Cb 0.57 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 3hwx n SER 554 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hwx n HIS 555 N -1.72 0.00 1.90 7.33 -0.00 -1.00 -4.61 115.22 117.12 3hwx n HIS 555 Ca 0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.90 3hwx n HIS 555 Cb 0.14 -0.68 0.86 0.00 -0.00 0.00 0.00 29.99 30.32 3hwx n HIS 555 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81