#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwx n SER 2 N 0.00 1.97 0.00 7.83 2.88 -1.26 -4.91 113.62 120.14 3hwx n SER 2 Ca 0.00 1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 58.51 3hwx n SER 2 Cb 0.00 -1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 62.24 3hwx n SER 2 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3hwx h VAL 3 N 4.55 1.29 -0.10 2.46 2.07 -1.98 -3.09 116.25 121.46 3hwx h VAL 3 Ca -0.47 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.19 3hwx h VAL 3 Cb 1.33 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3hwx h VAL 3 CO 0.89 0.23 0.16 0.77 0.02 0.00 0.00 177.57 179.65 3hwx h SER 4 N -0.39 0.00 0.48 0.57 4.64 -1.88 0.33 113.55 117.30 3hwx h SER 4 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3hwx h SER 4 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3hwx h SER 4 CO 0.00 0.00 -1.56 0.00 -0.87 0.00 0.00 176.83 174.40 3hwx h ALA 5 N 1.77 0.41 -0.52 5.18 0.00 -1.86 -3.07 119.26 121.17 3hwx h ALA 5 Ca 0.05 -1.20 -0.08 0.00 0.00 0.00 0.00 54.91 53.68 3hwx h ALA 5 Cb 0.37 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3hwx h ALA 5 CO -0.00 1.27 0.00 0.35 0.00 0.00 0.00 179.25 180.87 3hwx h PHE 6 N 0.05 0.93 -0.86 0.00 3.57 -0.92 -2.76 116.94 116.95 3hwx h PHE 6 Ca -0.25 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.17 3hwx h PHE 6 Cb 1.99 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 40.42 3hwx h PHE 6 CO 0.04 0.84 0.53 -0.91 -2.23 0.00 0.00 178.31 176.59 3hwx h ASN 7 N 0.81 0.84 -0.71 0.41 2.35 -1.22 0.79 115.58 118.85 3hwx h ASN 7 Ca 0.15 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3hwx h ASN 7 Cb 0.48 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3hwx h ASN 7 CO 0.02 0.54 0.30 0.03 -1.65 0.00 0.00 177.43 176.68 3hwx h ARG 8 N 0.98 1.05 -0.04 0.81 3.08 -1.39 0.03 114.38 118.90 3hwx h ARG 8 Ca 0.37 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 60.08 3hwx h ARG 8 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3hwx h ARG 8 CO -0.17 0.86 -0.68 0.00 -1.07 0.00 0.00 179.97 178.91 3hwx h ARG 9 N 1.01 0.20 0.03 0.04 2.47 -1.21 0.23 114.38 117.14 3hwx h ARG 9 Ca 0.24 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3hwx h ARG 9 Cb 0.18 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3hwx h ARG 9 CO -0.02 0.80 -0.01 2.35 0.56 0.00 0.00 179.97 183.65 3hwx h TRP 10 N 0.14 -0.03 0.57 3.04 2.91 -0.69 -1.18 115.95 120.71 3hwx h TRP 10 Ca -0.02 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 3hwx h TRP 10 Cb 1.22 0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3hwx h TRP 10 CO 0.02 0.02 -0.27 0.00 -1.03 0.00 0.00 178.44 177.17 3hwx h ALA 11 N 0.90 -0.77 -0.99 2.65 0.00 -0.91 -2.95 119.26 117.20 3hwx h ALA 11 Ca -0.00 -0.19 0.35 0.00 0.00 0.00 0.00 54.91 55.06 3hwx h ALA 11 Cb 0.06 0.30 -0.17 0.00 0.00 0.00 0.00 17.79 17.98 3hwx h ALA 11 CO 0.01 -0.85 0.45 0.00 0.00 0.00 0.00 179.25 178.85 3hwx h ALA 12 N -0.59 1.88 0.74 0.00 0.00 -0.55 0.20 119.26 120.94 3hwx h ALA 12 Ca -0.08 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hwx h ALA 12 Cb 0.64 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hwx h ALA 12 CO 0.13 -0.73 -0.36 0.28 0.00 0.00 0.00 179.25 178.57 3hwx h VAL 13 N 0.13 0.00 -0.78 0.00 2.07 -1.15 -1.74 116.25 114.79 3hwx h VAL 13 Ca 0.75 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 68.38 3hwx h VAL 13 Cb 1.81 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.44 3hwx h VAL 13 CO -0.73 0.00 -0.22 -0.38 0.02 0.00 0.00 177.57 176.26 3hwx n ILE 14 N -4.78 -0.35 0.20 4.57 5.41 -0.07 -0.38 119.36 123.95 3hwx n ILE 14 Ca -0.12 1.79 0.08 0.00 1.00 0.00 0.00 62.75 65.50 3hwx n ILE 14 Cb 0.39 -2.45 0.29 0.00 -0.71 0.00 0.00 39.64 37.16 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 0.00 -0.51 1.39 3.38 -1.15 -3.06 115.31 115.36 3hwx h LEU 15 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 3hwx h LEU 15 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hwx h LEU 15 CO -0.79 0.29 -0.25 -0.08 0.09 0.00 0.00 178.44 177.70 3hwx h GLU 16 N 0.00 0.00 -0.01 1.13 4.57 0.23 -3.15 114.58 117.36 3hwx h GLU 16 Ca -0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 3hwx h GLU 16 Cb 0.98 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3hwx h GLU 16 CO 0.04 0.25 -0.79 0.00 -1.18 0.00 0.00 179.01 177.33 3hwx h ALA 17 N 1.75 0.67 0.34 2.92 0.00 -1.19 -3.25 119.26 120.49 3hwx h ALA 17 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 3hwx h ALA 17 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hwx h ALA 17 CO 0.03 0.90 -0.16 -0.07 0.00 0.00 0.00 179.25 179.96 3hwx h LEU 18 N 0.07 -0.38 -0.54 0.00 3.38 -1.56 -2.79 115.31 113.48 3hwx h LEU 18 Ca -0.02 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.11 3hwx h LEU 18 Cb 1.38 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 3hwx h LEU 18 CO 0.11 -0.26 0.63 0.41 0.09 0.00 0.00 178.44 179.42 3hwx n THR 19 N -5.28 0.00 -1.21 0.22 -1.04 -1.19 -0.23 114.28 105.55 3hwx n THR 19 Ca -0.10 0.64 0.03 0.00 -2.04 0.00 0.00 64.05 62.58 3hwx n THR 19 Cb 0.20 -1.15 0.22 0.00 -1.82 0.00 0.00 70.33 67.78 3hwx n THR 19 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hwx n ARG 20 N -2.30 2.25 -0.12 -2.82 3.00 -1.05 -4.24 116.66 111.38 3hwx n ARG 20 Ca 0.12 -2.97 0.03 0.00 -0.01 0.00 0.00 57.85 55.02 3hwx n ARG 20 Cb 0.79 -1.79 0.04 0.00 0.00 0.00 0.00 32.46 31.50 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hwx n HIS 21 N -0.89 0.00 -0.15 -1.55 8.25 0.68 -4.27 115.22 117.29 3hwx n HIS 21 Ca 0.26 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3hwx n HIS 21 Cb 0.92 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.53 0.87 3.60 -1.41 0.00 -1.25 -4.71 105.19 101.76 3hwx n GLY 22 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.49 3.02 -0.18 1.61 1.01 -1.23 -4.71 120.40 117.43 3hwx s VAL 23 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 3hwx s VAL 23 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 3hwx s VAL 23 CO 0.00 -0.02 -0.32 -1.14 0.00 0.00 0.00 175.10 173.62 3hwx n ARG 24 N 8.78 0.50 -3.44 2.72 0.00 -1.26 -4.46 116.66 119.50 3hwx n ARG 24 Ca 0.30 0.20 -0.34 0.00 -0.00 0.00 0.00 57.85 58.01 3hwx n ARG 24 Cb 0.46 -1.36 -0.06 0.00 0.00 0.00 0.00 32.46 31.50 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 -2.73 3.55 -0.04 -0.14 3.76 -1.26 -1.67 115.29 116.76 3hwx s HIS 25 Ca -0.29 0.92 -0.02 0.00 -0.15 0.00 0.00 55.06 55.53 3hwx s HIS 25 Cb 0.06 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.51 3hwx s HIS 25 CO 0.41 0.42 0.07 -1.50 -0.85 0.00 0.00 174.74 173.28 3hwx s ILE 26 N -1.54 -0.12 -0.18 0.60 2.07 -0.61 -1.95 121.20 119.47 3hwx s ILE 26 Ca 0.39 0.39 -0.14 0.00 -1.41 0.00 0.00 60.65 59.88 3hwx s ILE 26 Cb -0.14 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 3hwx s ILE 26 CO 0.20 0.16 0.30 0.00 -1.91 0.00 0.00 174.94 173.69 3hwx s ILE 28 N 0.78 1.73 0.19 0.00 1.01 0.11 0.20 121.20 125.21 3hwx s ILE 28 Ca 0.16 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3hwx s ILE 28 Cb -0.13 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3hwx s ILE 28 CO 0.05 0.49 0.16 0.00 0.00 0.00 0.00 174.94 175.63 3hwx s ALA 29 N 0.42 3.59 0.95 9.38 0.00 -0.61 -2.66 121.76 132.84 3hwx s ALA 29 Ca -0.17 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 3hwx s ALA 29 Cb -0.17 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.63 3hwx s ALA 29 CO 0.07 0.44 0.47 -0.35 0.00 0.00 0.00 175.76 176.38 3hwx n PRO 30 N -0.58 -0.32 0.00 0.00 -0.04 -1.26 -4.71 135.00 128.09 3hwx n PRO 30 Ca -0.08 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3hwx n PRO 30 Cb 0.56 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.39 1.96 0.03 0.55 0.00 -1.26 -4.40 105.19 103.46 3hwx n GLY 31 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 3.21 0.09 1.61 2.88 -1.26 -4.30 113.62 115.85 3hwx n SER 32 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3hwx n SER 32 Cb 0.00 0.85 0.14 0.00 -0.75 0.00 0.00 64.21 64.45 3hwx n SER 32 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3hwx h ARG 33 N 0.00 0.00 -0.00 -1.46 9.65 -1.97 -3.07 114.38 117.53 3hwx h ARG 33 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3hwx h ARG 33 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3hwx h ARG 33 CO 0.01 0.00 -0.17 -1.13 2.80 0.00 0.00 179.97 181.48 3hwx n SER 34 N -2.40 0.55 -0.33 -3.80 3.41 -1.26 -4.58 113.62 105.20 3hwx n SER 34 Ca 0.03 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.23 3hwx n SER 34 Cb 0.48 -0.03 0.29 0.00 -0.26 0.00 0.00 64.21 64.68 3hwx n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx h THR 35 N 0.59 0.71 -0.57 6.66 1.03 -1.72 -0.80 112.91 118.80 3hwx h THR 35 Ca 0.00 -0.24 -0.10 0.00 -0.01 0.00 0.00 66.41 66.06 3hwx h THR 35 Cb 0.41 -0.06 -0.02 0.00 -1.07 0.00 0.00 68.15 67.41 3hwx h THR 35 CO 0.00 0.13 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.52 3hwx h LEU 36 N 0.70 1.02 -0.36 0.00 3.38 -1.86 0.95 115.31 119.15 3hwx h LEU 36 Ca 0.54 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 3hwx h LEU 36 Cb 0.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hwx h LEU 36 CO -0.38 1.10 -0.38 -0.07 0.09 0.00 0.00 178.44 178.80 3hwx h LEU 37 N 0.94 0.96 -0.41 1.67 3.38 -1.58 -2.15 115.31 118.11 3hwx h LEU 37 Ca 0.16 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3hwx h LEU 37 Cb 0.61 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hwx h LEU 37 CO 0.04 1.24 -0.02 0.74 0.09 0.00 0.00 178.44 180.52 3hwx h THR 38 N 0.70 1.26 -0.32 0.22 2.02 -0.93 0.22 112.91 116.08 3hwx h THR 38 Ca 0.05 -1.06 0.05 0.00 0.77 0.00 0.00 66.41 66.23 3hwx h THR 38 Cb 0.97 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 3hwx h THR 38 CO 0.09 0.36 0.03 -0.07 0.37 0.00 0.00 175.52 176.30 3hwx h LEU 39 N 0.58 -0.06 -0.68 2.58 3.38 -0.88 0.05 115.31 120.27 3hwx h LEU 39 Ca 0.11 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3hwx h LEU 39 Cb 0.51 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3hwx h LEU 39 CO 0.03 0.00 -0.65 0.00 0.09 0.00 0.00 178.44 177.91 3hwx h ALA 40 N 1.26 0.90 -0.33 1.53 0.00 -1.12 0.38 119.26 121.88 3hwx h ALA 40 Ca 0.15 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3hwx h ALA 40 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hwx h ALA 40 CO -0.23 0.81 -0.32 0.00 0.00 0.00 0.00 179.25 179.50 3hwx h ALA 41 N 1.35 0.81 0.00 0.00 0.00 -0.60 -2.71 119.26 118.11 3hwx h ALA 41 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hwx h ALA 41 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hwx h ALA 41 CO 0.08 0.64 -0.64 0.00 0.00 0.00 0.00 179.25 179.34 3hwx h ALA 42 N 1.02 0.59 0.00 0.00 0.00 -0.50 -3.20 119.26 117.17 3hwx h ALA 42 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hwx h ALA 42 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hwx h ALA 42 CO 0.07 0.00 -0.83 0.93 0.00 0.00 0.00 179.25 179.42 3hwx h GLU 43 N 0.00 0.00 -5.23 0.00 5.08 -0.90 -3.44 114.58 110.08 3hwx h GLU 43 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3hwx h GLU 43 Cb 0.77 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.86 3hwx h GLU 43 CO 0.00 0.34 0.11 1.21 -1.00 0.00 0.00 179.01 179.67 3hwx s ASN 44 N -6.10 6.28 0.00 1.42 3.84 -1.03 -4.94 114.94 114.40 3hwx s ASN 44 Ca 0.01 -0.58 0.26 0.00 0.21 0.00 0.00 52.86 52.76 3hwx s ASN 44 Cb 0.08 -2.31 1.29 0.00 -0.55 0.00 0.00 41.25 39.76 3hwx s ASN 44 CO 0.77 -0.84 1.89 -1.54 -2.79 0.00 0.00 177.10 174.58 3hwx n SER 45 N 6.28 0.00 0.18 -4.21 3.41 -1.26 -2.81 113.62 115.21 3hwx n SER 45 Ca -0.04 0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 3hwx n SER 45 Cb 0.47 -0.32 0.63 0.00 -0.26 0.00 0.00 64.21 64.73 3hwx n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx h ALA 46 N 3.19 1.00 -2.47 7.33 0.00 -1.93 -3.45 119.26 122.92 3hwx h ALA 46 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3hwx h ALA 46 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hwx h ALA 46 CO 0.00 0.00 -0.47 -0.06 0.00 0.00 0.00 179.25 178.72 3hwx s PHE 47 N -3.54 3.44 -0.26 0.00 0.08 -1.12 -4.78 117.98 111.79 3hwx s PHE 47 Ca 0.00 0.07 -0.08 0.00 0.12 0.00 0.00 56.93 57.04 3hwx s PHE 47 Cb 0.08 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 3hwx s PHE 47 CO 0.33 0.50 0.09 0.42 -0.10 0.00 0.00 175.22 176.46 3hwx s ILE 48 N -1.81 4.42 -0.17 0.64 1.01 -0.67 -5.02 121.20 119.60 3hwx s ILE 48 Ca 0.34 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 3hwx s ILE 48 Cb -0.10 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 3hwx s ILE 48 CO 0.28 0.30 0.29 -1.00 0.00 0.00 0.00 174.94 174.82 3hwx s HIS 49 N 1.63 3.44 -0.03 3.97 3.76 -1.26 -1.57 115.29 125.23 3hwx s HIS 49 Ca 0.06 0.57 0.05 0.00 -0.15 0.00 0.00 55.06 55.59 3hwx s HIS 49 Cb -0.15 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 3hwx s HIS 49 CO 0.05 0.20 -0.17 -1.01 -0.85 0.00 0.00 174.74 172.95 3hwx s HIS 50 N 0.61 2.60 0.10 1.40 3.76 -0.66 -4.98 115.29 118.13 3hwx s HIS 50 Ca 0.16 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.89 3hwx s HIS 50 Cb -0.13 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 3hwx s HIS 50 CO 0.04 0.15 -0.14 0.95 -0.85 0.00 0.00 174.74 174.90 3hwx s THR 51 N -0.74 1.21 -0.11 1.30 -4.23 -1.26 0.07 115.64 111.87 3hwx s THR 51 Ca 0.12 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3hwx s THR 51 Cb -0.10 -1.37 0.08 0.00 1.34 0.00 0.00 72.50 72.44 3hwx s THR 51 CO 0.01 -0.38 0.76 -2.28 -0.54 0.00 0.00 174.62 172.19 3hwx s HIS 52 N -1.93 -0.61 -0.28 3.99 5.04 -1.09 -4.93 115.29 115.47 3hwx s HIS 52 Ca 0.05 1.15 0.20 0.00 -1.54 0.00 0.00 55.06 54.93 3hwx s HIS 52 Cb -0.06 0.40 0.13 0.00 0.04 0.00 0.00 32.58 33.09 3hwx s HIS 52 CO 0.02 -0.51 1.33 0.27 -2.34 0.00 0.00 174.74 173.51 3hwx h PHE 53 N 3.26 0.00 -3.59 3.88 -5.15 -1.98 -3.40 116.94 109.96 3hwx h PHE 53 Ca -0.26 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 56.81 3hwx h PHE 53 Cb 1.15 0.00 -0.24 0.00 0.22 0.00 0.00 35.95 37.08 3hwx h PHE 53 CO 0.36 0.18 -0.51 0.34 -2.00 0.00 0.00 178.31 176.68 3hwx s ASP 54 N -5.98 5.76 0.49 -0.68 -1.08 -1.26 -4.90 116.67 109.01 3hwx s ASP 54 Ca 0.03 -0.91 0.32 0.00 -0.52 0.00 0.00 52.55 51.47 3hwx s ASP 54 Cb 0.07 -2.04 1.36 0.00 -1.46 0.00 0.00 42.92 40.85 3hwx s ASP 54 CO 0.74 -0.36 1.94 -0.33 0.52 0.00 0.00 175.17 177.68 3hwx h GLU 55 N 8.45 0.00 0.18 4.34 3.07 -1.89 0.60 114.58 129.33 3hwx h GLU 55 Ca -0.27 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.29 3hwx h GLU 55 Cb 1.11 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.04 3hwx h GLU 55 CO 0.67 0.00 -1.35 -0.09 -1.40 0.00 0.00 179.01 176.83 3hwx h ARG 56 N 0.00 0.38 -0.25 2.33 2.43 -1.88 -1.44 114.38 115.95 3hwx h ARG 56 Ca 0.00 -0.65 -0.20 0.00 -0.81 0.00 0.00 59.98 58.32 3hwx h ARG 56 Cb 0.43 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3hwx h ARG 56 CO 0.00 1.31 -0.62 0.78 -1.51 0.00 0.00 179.97 179.92 3hwx h GLY 57 N 1.03 0.95 0.75 2.80 0.00 -1.38 -2.38 103.07 104.83 3hwx h GLY 57 Ca -0.19 -1.18 0.03 0.00 0.00 0.00 0.00 47.33 46.00 3hwx h GLY 57 CO 0.23 1.05 0.07 -2.00 0.00 0.00 0.00 176.54 175.89 3hwx h LEU 58 N 0.64 0.05 -0.85 3.11 5.85 0.08 0.18 115.31 124.37 3hwx h LEU 58 Ca -0.01 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.93 3hwx h LEU 58 Cb 1.24 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.20 3hwx h LEU 58 CO 0.14 0.06 0.37 1.23 -0.34 0.00 0.00 178.44 179.90 3hwx h GLY 59 N 0.18 1.38 1.46 3.75 0.00 -1.13 0.49 103.07 109.20 3hwx h GLY 59 Ca 0.12 -0.18 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 3hwx h GLY 59 CO -0.14 -0.16 -1.10 0.45 0.00 0.00 0.00 176.54 175.59 3hwx h HIS 60 N 0.47 0.72 0.24 5.60 3.86 -0.84 -1.48 115.15 123.72 3hwx h HIS 60 Ca 0.49 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3hwx h HIS 60 Cb 0.83 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 3hwx h HIS 60 CO -0.14 1.28 -0.52 1.25 0.86 0.00 0.00 177.93 180.66 3hwx h LEU 61 N 0.22 -1.52 -0.55 2.43 5.85 0.04 -1.14 115.31 120.64 3hwx h LEU 61 Ca -0.12 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.85 3hwx h LEU 61 Cb 1.76 0.55 -0.08 0.00 0.37 0.00 0.00 40.66 43.26 3hwx h LEU 61 CO 0.20 -0.59 0.09 0.00 -0.34 0.00 0.00 178.44 177.79 3hwx h ALA 62 N -0.62 0.62 -0.17 1.25 0.00 -0.68 -1.38 119.26 118.29 3hwx h ALA 62 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hwx h ALA 62 Cb 0.80 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3hwx h ALA 62 CO -0.22 -0.32 -0.42 1.25 0.00 0.00 0.00 179.25 179.54 3hwx h LEU 63 N 0.22 -1.35 -0.82 0.00 5.85 -1.02 -1.23 115.31 116.96 3hwx h LEU 63 Ca 0.28 0.17 0.14 0.00 0.84 0.00 0.00 57.88 59.31 3hwx h LEU 63 Cb 0.41 0.53 -0.15 0.00 0.37 0.00 0.00 40.66 41.83 3hwx h LEU 63 CO -0.39 -0.35 -0.31 1.23 -0.34 0.00 0.00 178.44 178.28 3hwx h GLY 64 N -0.40 0.20 1.12 3.75 0.00 -0.32 0.31 103.07 107.72 3hwx h GLY 64 Ca 0.03 0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.84 3hwx h GLY 64 CO -0.37 -0.25 0.44 1.41 0.00 0.00 0.00 176.54 177.77 3hwx h LEU 65 N -0.05 0.60 0.11 3.11 3.38 -0.87 -0.99 115.31 120.61 3hwx h LEU 65 Ca 0.33 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.01 3hwx h LEU 65 Cb 0.59 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hwx h LEU 65 CO -0.86 0.39 -1.26 0.00 0.09 0.00 0.00 178.44 176.80 3hwx h ALA 66 N 1.64 0.04 -0.54 1.53 0.00 -0.11 -2.19 119.26 119.62 3hwx h ALA 66 Ca 0.29 -0.82 0.13 0.00 0.00 0.00 0.00 54.91 54.51 3hwx h ALA 66 Cb 0.26 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hwx h ALA 66 CO -0.09 0.79 0.38 -0.22 0.00 0.00 0.00 179.25 180.11 3hwx h LYS 67 N 0.18 0.14 0.02 0.00 3.64 0.85 -1.27 116.57 120.13 3hwx h LYS 67 Ca -0.17 -0.01 -0.39 0.00 -1.27 0.00 0.00 60.65 58.80 3hwx h LYS 67 Cb 1.95 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.68 3hwx h LYS 67 CO 0.23 0.09 -2.25 0.28 -2.27 0.00 0.00 179.45 175.53 3hwx n VAL 68 N -4.42 1.55 0.15 2.00 0.31 -0.73 -4.47 118.33 112.72 3hwx n VAL 68 Ca 0.10 -0.43 0.03 0.00 -0.01 0.00 0.00 64.34 64.03 3hwx n VAL 68 Cb 0.52 -1.74 0.14 0.00 -0.91 0.00 0.00 33.84 31.85 3hwx n VAL 68 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hwx h SER 69 N -0.54 0.00 -0.35 4.52 4.64 -1.34 -3.47 113.55 117.01 3hwx h SER 69 Ca -0.57 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.59 3hwx h SER 69 Cb 1.71 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.74 3hwx h SER 69 CO -0.22 0.50 -0.14 0.29 -0.87 0.00 0.00 176.83 176.39 3hwx n LYS 70 N -3.37 -1.22 -4.05 4.77 4.76 -0.49 -5.00 118.16 113.57 3hwx n LYS 70 Ca 0.01 0.69 -0.27 0.00 -2.87 0.00 0.00 58.31 55.87 3hwx n LYS 70 Cb 0.66 -4.78 -0.05 0.00 -1.84 0.00 0.00 35.03 29.02 3hwx n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hwx s GLN 71 N -2.34 3.00 0.40 1.97 -0.21 -1.26 -5.01 119.66 116.21 3hwx s GLN 71 Ca 0.00 -0.79 -0.27 0.00 0.02 0.00 0.00 55.36 54.33 3hwx s GLN 71 Cb 0.00 -2.72 -0.09 0.00 1.00 0.00 0.00 33.01 31.20 3hwx s GLN 71 CO 0.00 0.51 1.35 -1.25 -2.12 0.00 0.00 175.29 173.77 3hwx s PRO 72 N -3.00 4.00 -0.05 2.91 0.04 -1.26 -4.58 135.00 133.06 3hwx s PRO 72 Ca 0.31 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.67 3hwx s PRO 72 Cb -0.11 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 3hwx s PRO 72 CO 0.24 -0.50 -0.21 0.08 0.04 0.00 0.00 177.00 176.64 3hwx s VAL 73 N -1.21 2.40 0.10 -0.36 1.01 -0.37 -4.24 120.40 117.72 3hwx s VAL 73 Ca 0.56 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3hwx s VAL 73 Cb -0.40 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3hwx s VAL 73 CO 0.53 0.57 0.31 0.00 0.00 0.00 0.00 175.10 176.51 3hwx s ALA 74 N -0.39 3.87 0.04 5.51 0.00 -0.82 -0.48 121.76 129.50 3hwx s ALA 74 Ca 0.03 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.40 3hwx s ALA 74 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3hwx s ALA 74 CO 0.02 0.72 -0.19 0.08 0.00 0.00 0.00 175.76 176.39 3hwx s VAL 75 N -1.56 1.52 -0.14 0.00 1.01 -0.15 0.58 120.40 121.67 3hwx s VAL 75 Ca 0.37 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3hwx s VAL 75 Cb -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hwx s VAL 75 CO 0.25 0.14 -0.12 -0.63 0.00 0.00 0.00 175.10 174.74 3hwx s ILE 76 N -0.83 1.36 0.20 2.22 1.01 0.13 -1.53 121.20 123.77 3hwx s ILE 76 Ca 0.06 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.29 3hwx s ILE 76 Cb -0.09 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3hwx s ILE 76 CO 0.02 0.42 -0.15 0.68 0.00 0.00 0.00 174.94 175.91 3hwx s VAL 77 N 1.57 1.75 0.73 2.92 -7.23 -1.02 -1.57 120.40 117.56 3hwx s VAL 77 Ca 0.05 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 57.95 3hwx s VAL 77 Cb -0.13 -2.04 0.09 0.00 0.56 0.00 0.00 36.38 34.86 3hwx s VAL 77 CO -0.10 -0.58 1.04 0.28 -0.31 0.00 0.00 175.10 175.43 3hwx s THR 78 N -2.93 2.24 0.72 5.32 -1.32 -1.26 -2.31 115.64 116.09 3hwx s THR 78 Ca 0.22 -0.30 -0.12 0.00 -1.21 0.00 0.00 61.69 60.29 3hwx s THR 78 Cb -0.01 -2.94 0.03 0.00 -1.51 0.00 0.00 72.50 68.07 3hwx s THR 78 CO 0.07 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 172.62 3hwx s SER 79 N -4.59 4.97 0.00 8.08 1.04 -1.20 -3.79 113.70 118.21 3hwx s SER 79 Ca 0.63 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.83 3hwx s SER 79 Cb -0.09 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3hwx s SER 79 CO 0.45 -1.72 0.00 0.61 0.98 0.00 0.00 173.24 173.56 3hwx n GLY 80 N -1.36 -0.88 0.31 7.32 0.00 -1.26 -4.52 105.19 104.81 3hwx n GLY 80 Ca 0.09 -1.90 0.20 0.00 0.00 0.00 0.00 46.02 44.40 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 0.09 -0.99 2.61 1.35 -1.96 0.79 112.91 114.80 3hwx h THR 81 Ca 0.00 -0.24 0.21 0.00 -0.55 0.00 0.00 66.41 65.83 3hwx h THR 81 Cb 0.00 1.22 -0.12 0.00 -1.73 0.00 0.00 68.15 67.52 3hwx h THR 81 CO 0.00 0.01 0.58 0.00 -0.25 0.00 0.00 175.52 175.87 3hwx h ALA 82 N 1.98 1.68 0.02 6.62 0.00 -1.80 -0.59 119.26 127.19 3hwx h ALA 82 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hwx h ALA 82 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hwx h ALA 82 CO 0.00 -0.16 -0.01 0.28 0.00 0.00 0.00 179.25 179.36 3hwx h VAL 83 N 0.66 1.37 -0.66 0.00 2.07 -0.93 -3.06 116.25 115.69 3hwx h VAL 83 Ca 0.60 -1.23 0.14 0.00 0.82 0.00 0.00 66.70 67.03 3hwx h VAL 83 Cb 1.04 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 3hwx h VAL 83 CO -0.43 0.31 0.45 0.00 0.02 0.00 0.00 177.57 177.92 3hwx h ALA 84 N 0.39 2.22 0.00 1.67 0.00 -1.41 -0.59 119.26 121.54 3hwx h ALA 84 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hwx h ALA 84 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hwx h ALA 84 CO 0.00 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 178.94 3hwx n ASN 85 N -4.44 0.00 -0.18 0.00 3.02 -0.28 -1.83 115.26 111.54 3hwx n ASN 85 Ca 0.12 0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 3hwx n ASN 85 Cb 0.53 -0.25 0.28 0.00 -0.61 0.00 0.00 39.78 39.73 3hwx n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hwx n LEU 86 N -1.25 0.95 -0.05 3.41 4.77 -0.23 -3.03 117.00 121.57 3hwx n LEU 86 Ca 0.05 -0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 3hwx n LEU 86 Cb 0.07 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3hwx n LEU 86 CO 0.07 0.19 0.84 0.22 -1.33 0.00 0.00 177.39 177.38 3hwx h TYR 87 N 0.87 -0.08 0.13 -1.77 5.03 -1.52 -1.11 116.97 118.53 3hwx h TYR 87 Ca 0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.34 3hwx h TYR 87 Cb 0.53 0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.83 3hwx h TYR 87 CO 0.00 -0.08 -0.49 -1.35 -1.32 0.00 0.00 178.16 174.93 3hwx h PRO 88 N 0.03 -0.70 -0.90 1.82 0.11 -1.82 0.15 132.00 130.69 3hwx h PRO 88 Ca 0.11 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.30 3hwx h PRO 88 Cb 0.16 0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.38 3hwx h PRO 88 CO -0.22 -0.47 0.59 0.00 -0.21 0.00 0.00 178.00 177.69 3hwx h ALA 89 N -0.41 1.42 -0.12 -0.75 0.00 -1.85 -1.80 119.26 115.75 3hwx h ALA 89 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hwx h ALA 89 Cb 0.74 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hwx h ALA 89 CO -0.27 0.50 0.08 1.25 0.00 0.00 0.00 179.25 180.81 3hwx h LEU 90 N 1.14 0.14 -0.64 0.00 5.85 -0.52 -0.05 115.31 121.23 3hwx h LEU 90 Ca 0.35 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 3hwx h LEU 90 Cb -0.01 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hwx h LEU 90 CO -0.10 0.10 -0.04 0.40 -0.34 0.00 0.00 178.44 178.46 3hwx h ILE 91 N 0.16 1.26 -0.49 4.05 2.04 -0.34 0.37 117.51 124.56 3hwx h ILE 91 Ca 0.04 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.76 3hwx h ILE 91 Cb -0.01 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3hwx h ILE 91 CO -0.01 0.42 0.33 -0.08 0.00 0.00 0.00 178.15 178.81 3hwx h GLU 92 N 0.93 0.52 -0.36 2.37 4.57 -1.18 -0.44 114.58 120.99 3hwx h GLU 92 Ca 0.16 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.25 3hwx h GLU 92 Cb 0.59 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3hwx h GLU 92 CO 0.04 0.34 -0.01 0.00 -1.18 0.00 0.00 179.01 178.20 3hwx h ALA 93 N 1.72 0.48 -0.41 2.92 0.00 0.53 -2.36 119.26 122.14 3hwx h ALA 93 Ca 0.20 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.98 3hwx h ALA 93 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hwx h ALA 93 CO -0.05 0.25 0.40 0.78 0.00 0.00 0.00 179.25 180.63 3hwx h GLY 94 N 0.45 0.00 0.14 0.00 0.00 0.14 -1.96 103.07 101.84 3hwx h GLY 94 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.04 3hwx h GLY 94 CO 0.02 0.00 -2.36 1.04 0.00 0.00 0.00 176.54 175.24 3hwx n LEU 95 N -3.89 2.87 -0.00 3.11 4.77 -0.95 -4.68 117.00 118.23 3hwx n LEU 95 Ca 0.07 -0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3hwx n LEU 95 Cb 0.58 -0.96 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 3hwx n LEU 95 CO 0.30 0.91 -0.45 0.35 -1.33 0.00 0.00 177.39 177.16 3hwx n THR 96 N -3.35 0.03 0.00 -5.08 -2.24 -0.91 -5.00 114.28 97.73 3hwx n THR 96 Ca -0.43 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hwx n THR 96 Cb 1.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.34 1.65 3.54 3.38 0.00 -0.75 -4.99 105.19 109.36 3hwx n GLY 97 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.26 0.74 -3.05 1.61 4.71 -1.25 -1.52 120.64 121.62 3hwx n GLU 98 Ca 0.00 0.27 -0.43 0.00 -0.01 0.00 0.00 57.16 56.99 3hwx n GLU 98 Cb 0.00 -1.74 -0.06 0.00 -1.01 0.00 0.00 31.44 28.63 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 -0.18 3.31 -0.08 3.49 1.02 -1.25 -2.34 119.74 123.71 3hwx s LYS 99 Ca 0.79 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 56.49 3hwx s LYS 99 Cb -0.99 -3.97 -0.02 0.00 -0.52 0.00 0.00 37.83 32.34 3hwx s LYS 99 CO 0.53 -1.09 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.19 3hwx s LEU 100 N 3.03 2.54 -0.28 3.17 1.43 -1.23 -1.24 118.68 126.09 3hwx s LEU 100 Ca 0.25 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 3hwx s LEU 100 Cb -0.14 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3hwx s LEU 100 CO 0.20 0.24 0.01 -0.63 0.23 0.00 0.00 176.35 176.40 3hwx s ILE 101 N -0.13 3.34 -0.47 -0.59 -1.09 0.37 0.45 121.20 123.08 3hwx s ILE 101 Ca -0.02 -0.99 -0.18 0.00 -2.23 0.00 0.00 60.65 57.23 3hwx s ILE 101 Cb -0.14 -2.76 0.05 0.00 -1.58 0.00 0.00 42.46 38.03 3hwx s ILE 101 CO 0.04 0.07 0.53 -0.76 -1.23 0.00 0.00 174.94 173.59 3hwx s LEU 102 N 1.38 5.02 -0.58 2.97 1.43 0.38 -0.97 118.68 128.31 3hwx s LEU 102 Ca -0.00 -0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 3hwx s LEU 102 Cb -0.18 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.72 3hwx s LEU 102 CO -0.01 -0.74 0.78 -0.76 0.23 0.00 0.00 176.35 175.85 3hwx s LEU 103 N 2.31 4.82 -0.37 1.79 1.43 -0.58 -0.33 118.68 127.76 3hwx s LEU 103 Ca 0.13 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.17 3hwx s LEU 103 Cb -0.19 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.65 3hwx s LEU 103 CO 0.12 -1.15 0.14 0.42 0.23 0.00 0.00 176.35 176.12 3hwx s THR 104 N 3.20 3.60 0.84 5.49 -4.23 -0.45 -2.43 115.64 121.66 3hwx s THR 104 Ca 0.18 -1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 3hwx s THR 104 Cb -0.19 -3.19 0.10 0.00 1.34 0.00 0.00 72.50 70.57 3hwx s THR 104 CO 0.11 -0.36 1.14 0.00 -0.54 0.00 0.00 174.62 174.97 3hwx s ALA 105 N 1.31 1.79 0.07 3.99 0.00 -0.98 -0.47 121.76 127.48 3hwx s ALA 105 Ca 0.01 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 3hwx s ALA 105 Cb -0.21 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.56 3hwx s ALA 105 CO 0.00 -2.35 0.59 0.34 0.00 0.00 0.00 175.76 174.35 3hwx s ASP 106 N -2.75 -0.55 0.68 0.00 -1.08 -0.07 -3.22 116.67 109.68 3hwx s ASP 106 Ca 0.67 0.23 -0.12 0.00 -0.52 0.00 0.00 52.55 52.81 3hwx s ASP 106 Cb -0.22 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 3hwx s ASP 106 CO 0.55 -0.80 1.06 -0.13 0.52 0.00 0.00 175.17 176.37 3hwx s ARG 107 N -2.71 2.95 0.70 4.34 1.81 -1.26 -0.67 118.95 124.11 3hwx s ARG 107 Ca -0.04 1.01 -0.11 0.00 -1.72 0.00 0.00 55.73 54.87 3hwx s ARG 107 Cb -0.01 -1.99 0.01 0.00 -0.45 0.00 0.00 34.95 32.51 3hwx s ARG 107 CO -0.04 -1.09 1.06 -1.25 -0.68 0.00 0.00 175.30 173.30 3hwx s PRO 108 N -4.87 2.93 0.26 3.54 0.04 -1.24 -4.52 135.00 131.13 3hwx s PRO 108 Ca 0.59 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 3hwx s PRO 108 Cb -0.15 -1.99 0.37 0.00 0.04 0.00 0.00 34.50 32.77 3hwx s PRO 108 CO 0.52 -1.09 1.56 -1.00 0.04 0.00 0.00 177.00 177.03 3hwx h PRO 109 N -0.71 -0.00 -1.04 0.56 0.13 -1.97 -1.50 132.00 127.48 3hwx h PRO 109 Ca -0.44 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.03 3hwx h PRO 109 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 3hwx h PRO 109 CO 0.58 -0.00 0.60 0.93 -0.23 0.00 0.00 178.00 179.88 3hwx h GLU 110 N -0.00 0.27 -0.65 0.86 3.07 -2.04 -0.20 114.58 115.90 3hwx h GLU 110 Ca 0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3hwx h GLU 110 Cb 0.68 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3hwx h GLU 110 CO -1.01 0.18 0.00 1.28 -1.40 0.00 0.00 179.01 178.06 3hwx n LEU 111 N -5.00 3.42 -4.66 1.33 4.77 -0.56 -4.81 117.00 111.48 3hwx n LEU 111 Ca 0.32 -1.73 -0.35 0.00 -0.03 0.00 0.00 56.01 54.23 3hwx n LEU 111 Cb 1.05 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3hwx n LEU 111 CO 0.11 0.52 -0.22 -0.63 -1.33 0.00 0.00 177.39 175.85 3hwx s ILE 112 N -1.85 5.05 -0.76 -0.08 -1.09 -0.09 -4.51 121.20 117.88 3hwx s ILE 112 Ca 0.32 0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.80 3hwx s ILE 112 Cb 0.22 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 3hwx s ILE 112 CO 0.13 0.43 0.04 0.47 -1.23 0.00 0.00 174.94 174.79 3hwx n ASP 113 N 3.69 -3.20 -0.21 3.58 8.00 -1.26 -4.92 116.55 122.23 3hwx n ASP 113 Ca -0.16 -0.03 0.03 0.00 0.71 0.00 0.00 54.79 55.34 3hwx n ASP 113 Cb 0.52 -2.42 0.04 0.00 -0.02 0.00 0.00 41.12 39.23 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 -0.45 0.47 3.75 0.00 0.00 -1.26 -5.02 105.19 102.68 3hwx n GLY 115 Ca 0.04 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.99 3.61 0.43 4.61 0.00 -1.26 -5.00 121.76 122.16 3hwx s ALA 116 Ca 0.00 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 3hwx s ALA 116 Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 3hwx s ALA 116 CO 0.00 -0.74 1.40 -1.71 0.00 0.00 0.00 175.76 174.72 3hwx n ASN 117 N 2.10 3.21 -3.85 0.00 2.85 -1.26 -3.47 115.26 114.83 3hwx n ASN 117 Ca 0.06 1.13 -0.28 0.00 -0.11 0.00 0.00 54.58 55.38 3hwx n ASN 117 Cb 0.40 -1.58 0.03 0.00 1.24 0.00 0.00 39.78 39.87 3hwx n ASN 117 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3hwx n GLN 118 N -0.06 -5.47 -3.72 1.20 7.27 -1.26 -4.97 117.38 110.37 3hwx n GLN 118 Ca 0.05 0.61 -0.29 0.00 0.07 0.00 0.00 57.00 57.44 3hwx n GLN 118 Cb 0.41 -5.42 -0.15 0.00 2.41 0.00 0.00 30.24 27.48 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 -3.40 1.32 0.26 1.69 0.00 -1.23 -4.30 121.76 116.11 3hwx s ALA 119 Ca 0.49 -1.33 0.10 0.00 0.00 0.00 0.00 51.96 51.22 3hwx s ALA 119 Cb -0.25 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 3hwx s ALA 119 CO 0.82 -1.51 -0.15 0.96 0.00 0.00 0.00 175.76 175.89 3hwx s ILE 120 N 1.72 2.10 -0.70 0.00 -4.36 -1.26 -4.65 121.20 114.05 3hwx s ILE 120 Ca 0.06 -2.28 -0.26 0.00 -0.26 0.00 0.00 60.65 57.91 3hwx s ILE 120 Cb -0.17 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 3hwx s ILE 120 CO -0.21 -0.42 1.80 -0.13 0.24 0.00 0.00 174.94 176.22 3hwx s ARG 121 N -3.60 2.71 -0.13 0.37 0.52 -1.26 -4.88 118.95 112.67 3hwx s ARG 121 Ca 0.28 0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 55.65 3hwx s ARG 121 Cb -0.01 -4.54 -0.25 0.00 0.52 0.00 0.00 34.95 30.66 3hwx s ARG 121 CO 0.12 -2.79 0.36 1.96 0.02 0.00 0.00 175.30 174.97 3hwx h GLN 122 N 13.47 0.22 -6.55 3.54 4.20 -1.99 -3.42 115.11 124.59 3hwx h GLN 122 Ca -0.17 -0.38 -0.53 0.00 0.06 0.00 0.00 58.65 57.63 3hwx h GLN 122 Cb 1.11 0.14 0.04 0.00 0.30 0.00 0.00 27.48 29.08 3hwx h GLN 122 CO 1.23 1.18 1.05 -2.14 -0.67 0.00 0.00 178.83 179.49 3hwx s PRO 123 N -2.52 4.15 0.00 1.46 0.02 -1.26 -2.56 135.00 134.29 3hwx s PRO 123 Ca -0.23 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3hwx s PRO 123 Cb 0.06 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3hwx s PRO 123 CO 0.74 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 3hwx n GLY 124 N 4.10 1.02 0.31 0.52 0.00 -1.26 -4.93 105.19 104.95 3hwx n GLY 124 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 3hwx n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx h MET 125 N 3.56 0.00 -0.20 1.61 -0.00 -1.74 -0.67 114.93 117.48 3hwx h MET 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hwx h MET 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3hwx h MET 125 CO 0.00 0.02 0.00 1.19 -0.00 0.00 0.00 176.91 178.12 3hwx n PHE 126 N -3.31 0.25 -3.15 -0.10 3.72 -1.26 -5.03 117.46 108.57 3hwx n PHE 126 Ca -0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3hwx n PHE 126 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3hwx n PHE 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hwx n ALA 127 N 0.64 0.00 0.91 4.37 0.00 -0.26 -2.04 120.51 124.14 3hwx n ALA 127 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.71 3hwx n ALA 127 Cb 0.41 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.37 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 0.93 0.00 -0.13 0.00 3.41 -1.26 -4.29 113.62 112.29 3hwx n SER 128 Ca 0.00 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 3hwx n SER 128 Cb 0.00 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.00 1.12 -4.10 7.33 -0.00 -1.83 -3.42 115.15 114.25 3hwx h HIS 129 Ca 0.00 -0.32 -0.48 0.00 -0.00 0.00 0.00 60.37 59.57 3hwx h HIS 129 Cb 0.26 -0.24 0.05 0.00 -0.00 0.00 0.00 27.41 27.48 3hwx h HIS 129 CO 0.00 1.14 0.40 -1.25 -0.00 0.00 0.00 177.93 178.22 3hwx s PRO 130 N -4.47 3.56 0.03 2.45 0.04 -1.26 -4.54 135.00 130.80 3hwx s PRO 130 Ca -0.11 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 3hwx s PRO 130 Cb 0.12 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 3hwx s PRO 130 CO 0.88 -0.65 1.25 1.15 0.04 0.00 0.00 177.00 179.67 3hwx h THR 131 N 1.25 0.00 -2.44 1.26 2.02 0.53 -3.44 112.91 112.09 3hwx h THR 131 Ca -0.49 -0.10 -0.60 0.00 0.77 0.00 0.00 66.41 66.00 3hwx h THR 131 Cb 1.24 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.52 3hwx h THR 131 CO 0.58 0.00 -0.71 -1.00 0.37 0.00 0.00 175.52 174.76 3hwx s HIS 132 N -4.76 2.53 -0.07 3.16 3.76 -1.20 -5.04 115.29 113.67 3hwx s HIS 132 Ca -0.13 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 3hwx s HIS 132 Cb 0.01 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.56 3hwx s HIS 132 CO 0.39 0.62 -0.18 -1.12 -0.85 0.00 0.00 174.74 173.61 3hwx s SER 133 N -3.38 2.34 -0.20 1.40 0.01 -1.26 -2.25 113.70 110.36 3hwx s SER 133 Ca 0.29 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 57.05 3hwx s SER 133 Cb -0.07 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.13 3hwx s SER 133 CO 0.17 0.11 0.12 -0.63 0.41 0.00 0.00 173.24 173.42 3hwx s ILE 134 N 0.41 5.36 -0.78 1.44 1.01 0.16 -4.97 121.20 123.83 3hwx s ILE 134 Ca -0.14 0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 3hwx s ILE 134 Cb -0.16 -3.44 0.20 0.00 0.01 0.00 0.00 42.46 39.07 3hwx s ILE 134 CO 0.05 0.44 0.66 -0.55 0.00 0.00 0.00 174.94 175.54 3hwx s SER 135 N 0.36 5.94 0.18 3.58 0.15 -1.26 -2.13 113.70 120.51 3hwx s SER 135 Ca 0.08 -3.11 -0.31 0.00 0.70 0.00 0.00 55.95 53.30 3hwx s SER 135 Cb -0.11 -1.98 -0.10 0.00 -1.71 0.00 0.00 66.02 62.13 3hwx s SER 135 CO -0.02 -0.36 1.50 -0.76 1.20 0.00 0.00 173.24 174.80 3hwx s LEU 136 N -0.45 4.38 1.09 3.45 1.43 -1.12 -5.01 118.68 122.44 3hwx s LEU 136 Ca 0.21 2.58 -0.17 0.00 -1.03 0.00 0.00 54.13 55.72 3hwx s LEU 136 Cb -0.14 -3.60 0.24 0.00 0.03 0.00 0.00 46.19 42.72 3hwx s LEU 136 CO -0.07 -0.76 1.15 -2.16 0.23 0.00 0.00 176.35 174.74 3hwx s PRO 137 N 0.68 -0.37 0.05 1.29 0.04 -1.26 -4.47 135.00 130.97 3hwx s PRO 137 Ca 0.66 -0.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.37 3hwx s PRO 137 Cb -0.42 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3hwx s PRO 137 CO 0.35 -3.15 1.83 -2.13 0.04 0.00 0.00 177.00 173.93 3hwx n ARG 138 N -4.38 2.53 -1.67 4.56 0.63 -1.26 -4.74 116.66 112.33 3hwx n ARG 138 Ca 0.11 0.92 -0.51 0.00 -0.92 0.00 0.00 57.85 57.46 3hwx n ARG 138 Cb 0.59 -2.79 -0.05 0.00 0.45 0.00 0.00 32.46 30.66 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 5.88 1.76 -3.70 -0.14 -0.02 -1.26 -4.99 135.00 132.53 3hwx n PRO 139 Ca 0.19 0.64 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 3hwx n PRO 139 Cb 0.34 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 3hwx n PRO 139 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hwx s THR 140 N 2.69 0.07 -0.36 3.45 -1.32 -1.26 -5.01 115.64 113.90 3hwx s THR 140 Ca 0.90 -0.58 0.26 0.00 -1.21 0.00 0.00 61.69 61.06 3hwx s THR 140 Cb -0.82 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 69.45 3hwx s THR 140 CO 0.51 -0.32 1.77 1.56 -2.21 0.00 0.00 174.62 175.93 3hwx h GLN 141 N 2.97 0.00 0.00 7.08 4.20 -1.99 -2.71 115.11 124.66 3hwx h GLN 141 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3hwx h GLN 141 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3hwx h GLN 141 CO 0.45 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.36 3hwx n ASP 142 N -2.42 0.00 -4.34 1.46 8.00 -1.26 -4.41 116.55 113.58 3hwx n ASP 142 Ca 0.02 0.19 -0.40 0.00 0.71 0.00 0.00 54.79 55.31 3hwx n ASP 142 Cb 0.25 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.77 4.35 0.17 0.53 1.01 -1.02 -5.07 121.20 118.40 3hwx s ILE 143 Ca 0.18 -0.96 -0.33 0.00 0.00 0.00 0.00 60.65 59.54 3hwx s ILE 143 Cb 0.16 -3.45 -0.16 0.00 0.01 0.00 0.00 42.46 39.02 3hwx s ILE 143 CO 0.40 -0.24 1.21 -0.81 0.00 0.00 0.00 174.94 175.50 3hwx n PRO 144 N 4.95 1.25 -0.32 2.79 -0.04 -1.26 -4.86 135.00 137.50 3hwx n PRO 144 Ca -0.12 0.45 0.22 0.00 -0.04 0.00 0.00 63.50 64.01 3hwx n PRO 144 Cb 0.45 -1.97 0.44 0.00 -0.04 0.00 0.00 33.50 32.38 3hwx n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwx h ALA 145 N 3.59 1.74 -0.12 0.55 0.00 -1.92 0.23 119.26 123.32 3hwx h ALA 145 Ca -0.44 0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hwx h ALA 145 Cb 1.34 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 3hwx h ALA 145 CO 0.71 -0.65 0.15 0.07 0.00 0.00 0.00 179.25 179.53 3hwx h ARG 146 N 0.17 0.00 -0.11 0.00 0.11 -1.90 -1.33 114.38 111.32 3hwx h ARG 146 Ca 0.70 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.65 3hwx h ARG 146 Cb 1.63 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.72 3hwx h ARG 146 CO -0.71 0.00 -0.44 2.35 0.10 0.00 0.00 179.97 181.27 3hwx h TRP 147 N 0.00 0.66 -0.30 4.08 7.01 -0.89 -2.60 115.95 123.91 3hwx h TRP 147 Ca 0.06 -0.28 -0.06 0.00 2.11 0.00 0.00 58.89 60.72 3hwx h TRP 147 Cb 0.35 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 3hwx h TRP 147 CO 0.00 1.04 -0.05 1.25 -2.79 0.00 0.00 178.44 177.89 3hwx h LEU 148 N 0.09 0.46 0.00 0.65 5.85 -1.25 -2.18 115.31 118.93 3hwx h LEU 148 Ca -0.02 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 3hwx h LEU 148 Cb 1.08 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3hwx h LEU 148 CO 0.09 0.56 -1.06 1.62 -0.34 0.00 0.00 178.44 179.32 3hwx h VAL 149 N 0.46 0.46 0.16 1.05 3.04 -1.57 -2.75 116.25 117.09 3hwx h VAL 149 Ca 0.09 -1.80 -0.01 0.00 -1.01 0.00 0.00 66.70 63.98 3hwx h VAL 149 Cb 0.38 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 3hwx h VAL 149 CO 0.02 0.26 -0.08 0.28 -1.01 0.00 0.00 177.57 177.04 3hwx h SER 150 N 0.00 -0.18 -0.31 3.17 0.02 -1.31 -0.71 113.55 114.22 3hwx h SER 150 Ca -0.09 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 60.64 3hwx h SER 150 Cb 1.40 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 3hwx h SER 150 CO 0.04 0.22 0.22 0.74 -1.14 0.00 0.00 176.83 176.91 3hwx h THR 151 N -0.63 0.90 0.24 -2.27 2.02 -1.44 0.29 112.91 112.02 3hwx h THR 151 Ca -0.02 -0.04 -0.32 0.00 0.77 0.00 0.00 66.41 66.80 3hwx h THR 151 Cb 0.47 0.78 0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3hwx h THR 151 CO 0.04 0.02 -1.39 0.40 0.37 0.00 0.00 175.52 174.96 3hwx h ILE 152 N 0.12 1.31 -0.94 3.11 2.04 -1.45 -2.33 117.51 119.36 3hwx h ILE 152 Ca 0.14 -2.67 -0.00 0.00 1.00 0.00 0.00 64.86 63.33 3hwx h ILE 152 Cb 0.42 3.07 -0.05 0.00 -0.74 0.00 0.00 36.82 39.52 3hwx h ILE 152 CO -0.02 0.80 0.58 0.44 0.00 0.00 0.00 178.15 179.95 3hwx h ASP 153 N 0.06 1.11 -0.17 1.72 3.32 0.09 0.66 116.42 123.21 3hwx h ASP 153 Ca -0.24 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 3hwx h ASP 153 Cb 2.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 41.35 3hwx h ASP 153 CO 0.26 0.84 0.10 -0.74 -1.72 0.00 0.00 179.24 177.98 3hwx h HIS 154 N 1.29 0.22 -0.49 4.55 -0.00 -0.50 0.12 115.15 120.33 3hwx h HIS 154 Ca 0.34 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.80 3hwx h HIS 154 Cb -0.09 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.17 3hwx h HIS 154 CO 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 177.93 178.08 3hwx h ALA 155 N 1.03 0.43 0.04 5.26 0.00 -0.74 -1.43 119.26 123.86 3hwx h ALA 155 Ca 0.06 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 3hwx h ALA 155 Cb 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3hwx h ALA 155 CO -0.01 -0.40 -1.76 -0.07 0.00 0.00 0.00 179.25 177.01 3hwx h LEU 156 N 0.09 0.14 -0.78 0.00 4.07 -0.74 -3.08 115.31 115.01 3hwx h LEU 156 Ca 0.24 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.81 3hwx h LEU 156 Cb 0.37 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 3hwx h LEU 156 CO -0.43 1.27 -0.09 1.23 -1.08 0.00 0.00 178.44 179.34 3hwx h GLY 157 N 2.70 0.90 -1.94 0.83 0.00 -0.73 -3.06 103.07 101.77 3hwx h GLY 157 Ca -0.31 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.34 3hwx h GLY 157 CO 0.09 0.62 0.00 -1.30 0.00 0.00 0.00 176.54 175.95 3hwx n THR 158 N -4.17 0.38 -2.35 4.70 -2.24 -0.54 -4.08 114.28 105.98 3hwx n THR 158 Ca 0.02 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 3hwx n THR 158 Cb 0.36 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.56 3.36 0.18 3.22 2.96 -1.16 -4.85 118.68 120.83 3hwx s LEU 159 Ca 0.36 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.46 3hwx s LEU 159 Cb 0.21 -2.94 0.08 0.00 0.50 0.00 0.00 46.19 44.05 3hwx s LEU 159 CO 0.30 -1.81 1.50 -0.74 -1.32 0.00 0.00 176.35 174.28 3hwx h HIS 160 N 11.51 0.79 -1.48 5.38 -0.00 -1.90 -3.49 115.15 125.97 3hwx h HIS 160 Ca -0.27 -0.27 0.31 0.00 -0.00 0.00 0.00 60.37 60.13 3hwx h HIS 160 Cb 1.10 -0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 28.22 3hwx h HIS 160 CO 1.05 1.02 0.81 0.00 -0.00 0.00 0.00 177.93 180.81 3hwx s ALA 161 N -4.07 -2.18 0.00 5.26 0.00 -1.26 -5.02 121.76 114.48 3hwx s ALA 161 Ca -0.08 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3hwx s ALA 161 Cb 0.11 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3hwx s ALA 161 CO 0.85 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3hwx n GLY 162 N -0.40 -1.85 3.93 0.00 0.00 -0.57 -4.67 105.19 101.62 3hwx n GLY 162 Ca -0.07 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 3hwx n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hwx s GLY 163 N -0.48 1.56 -0.13 -0.02 0.00 -1.25 -3.57 107.32 103.44 3hwx s GLY 163 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3hwx s GLY 163 CO 0.00 -0.68 -0.23 0.14 0.00 0.00 0.00 173.10 172.33 3hwx s VAL 164 N -2.22 2.06 -0.45 1.40 1.01 0.17 0.11 120.40 122.48 3hwx s VAL 164 Ca 0.41 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3hwx s VAL 164 Cb -0.10 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.54 3hwx s VAL 164 CO 0.34 0.55 0.34 -2.28 0.00 0.00 0.00 175.10 174.05 3hwx s HIS 165 N 0.65 3.27 -0.42 5.22 2.46 -0.95 0.14 115.29 125.66 3hwx s HIS 165 Ca -0.11 -1.05 -0.12 0.00 0.47 0.00 0.00 55.06 54.25 3hwx s HIS 165 Cb -0.16 -3.02 0.05 0.00 -0.13 0.00 0.00 32.58 29.32 3hwx s HIS 165 CO 0.02 -0.78 0.28 0.42 -2.47 0.00 0.00 174.74 172.21 3hwx s ILE 166 N 1.59 4.79 -0.11 0.89 1.01 0.55 0.41 121.20 130.32 3hwx s ILE 166 Ca 0.04 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.43 3hwx s ILE 166 Cb -0.23 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3hwx s ILE 166 CO 0.06 -0.39 0.88 0.21 0.00 0.00 0.00 174.94 175.69 3hwx s ASN 167 N 1.95 7.10 -0.69 3.58 2.47 -0.91 -1.34 114.94 127.10 3hwx s ASN 167 Ca 0.03 1.34 0.01 0.00 0.42 0.00 0.00 52.86 54.66 3hwx s ASN 167 Cb -0.21 -2.49 0.17 0.00 -1.45 0.00 0.00 41.25 37.27 3hwx s ASN 167 CO 0.06 -0.34 0.50 0.00 -3.72 0.00 0.00 177.10 173.60 3hwx n PRO 169 N 2.75 2.03 -3.94 0.00 -0.02 -1.26 -0.89 135.00 133.66 3hwx n PRO 169 Ca 0.13 0.72 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3hwx n PRO 169 Cb 0.36 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 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 0.14 0.17 -0.12 6.00 0.08 0.16 -4.49 117.98 119.92 3hwx s PHE 170 Ca 0.71 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.70 3hwx s PHE 170 Cb -0.66 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 3hwx s PHE 170 CO 0.47 -0.03 0.04 0.00 -0.10 0.00 0.00 175.22 175.60 3hwx s ALA 171 N 0.25 3.42 0.35 5.36 0.00 -1.26 -3.72 121.76 126.15 3hwx s ALA 171 Ca -0.02 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 50.92 3hwx s ALA 171 Cb -0.04 -1.69 -0.13 0.00 0.00 0.00 0.00 23.12 21.27 3hwx s ALA 171 CO -0.01 0.48 1.01 0.39 0.00 0.00 0.00 175.76 177.63 3hwx n GLU 172 N 2.52 1.39 -2.58 0.00 1.02 -1.26 -4.39 120.64 117.34 3hwx n GLU 172 Ca -0.18 0.49 -0.31 0.00 -0.02 0.00 0.00 57.16 57.14 3hwx n GLU 172 Cb 0.53 -1.95 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 3hwx n GLU 172 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hwx s PRO 173 N -1.75 3.87 0.00 3.49 0.04 -1.26 -5.00 135.00 134.39 3hwx s PRO 173 Ca 0.60 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3hwx s PRO 173 Cb -0.63 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3hwx s PRO 173 CO 0.59 -0.18 0.00 1.28 0.04 0.00 0.00 177.00 178.73 3hwx n LEU 174 N -1.48 0.00 -4.28 -3.56 4.77 -1.26 -3.81 117.00 107.38 3hwx n LEU 174 Ca 0.05 -0.36 -0.25 0.00 -0.03 0.00 0.00 56.01 55.42 3hwx n LEU 174 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 3hwx n LEU 174 CO 0.47 0.00 -0.52 -0.31 -1.33 0.00 0.00 177.39 175.70 3hwx s TYR 175 N -0.96 1.81 0.00 -1.77 2.02 -1.26 -4.77 117.35 112.41 3hwx s TYR 175 Ca 0.00 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3hwx s TYR 175 Cb 0.00 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 3hwx s TYR 175 CO 0.00 0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 3hwx n GLY 176 N 1.33 -0.91 3.68 0.71 0.00 -1.26 -4.83 105.19 103.91 3hwx n GLY 176 Ca -0.19 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3hwx n GLY 176 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwx s GLU 177 N -2.00 4.34 -0.72 1.61 2.12 -1.26 -4.93 118.70 117.86 3hwx s GLU 177 Ca 0.00 1.58 -0.25 0.00 0.36 0.00 0.00 54.97 56.66 3hwx s GLU 177 Cb 0.00 -3.59 -0.14 0.00 0.26 0.00 0.00 34.13 30.66 3hwx s GLU 177 CO 0.00 -0.48 2.41 -0.12 -0.54 0.00 0.00 175.26 176.54 3hwx n MET 178 N 5.48 0.65 0.00 4.30 0.00 -1.26 -4.79 117.12 121.50 3hwx n MET 178 Ca 0.11 -0.50 0.00 0.00 -0.00 0.00 0.00 57.70 57.31 3hwx n MET 178 Cb 0.46 -3.35 0.00 0.00 0.00 0.00 0.00 33.22 30.34 3hwx n MET 178 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3hwx n ASP 179 N 16.65 0.00 -2.70 6.12 -0.08 -1.26 -4.99 116.55 130.29 3hwx n ASP 179 Ca 0.46 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.67 3hwx n ASP 179 Cb 0.43 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.93 3hwx n ASP 179 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3hwx n ASP 180 N 0.00 1.64 0.13 1.67 5.68 -1.26 -4.97 116.55 119.43 3hwx n ASP 180 Ca 0.00 -2.55 -0.12 0.00 -0.50 0.00 0.00 54.79 51.62 3hwx n ASP 180 Cb 0.00 -0.51 -0.08 0.00 -1.14 0.00 0.00 41.12 39.39 3hwx n ASP 180 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3hwx h THR 181 N 3.76 0.70 -0.55 2.12 2.02 -1.89 -3.28 112.91 115.79 3hwx h THR 181 Ca -0.09 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.16 3hwx h THR 181 Cb 1.20 1.07 -0.10 0.00 -1.74 0.00 0.00 68.15 68.59 3hwx h THR 181 CO 0.42 0.14 0.21 0.61 0.37 0.00 0.00 175.52 177.27 3hwx n GLY 182 N 0.02 3.11 0.22 2.16 0.00 -1.26 -4.63 105.19 104.79 3hwx n GLY 182 Ca -0.09 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 2.05 -0.39 -2.40 0.99 5.85 -1.96 -1.31 115.31 118.14 3hwx h LEU 183 Ca 0.20 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hwx h LEU 183 Cb 1.91 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 3hwx h LEU 183 CO 0.55 0.07 0.03 0.77 -0.34 0.00 0.00 178.44 179.52 3hwx h SER 184 N -1.02 0.00 -0.00 1.25 4.64 -1.84 0.38 113.55 116.96 3hwx h SER 184 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hwx h SER 184 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3hwx h SER 184 CO 0.08 0.00 0.00 -0.25 -0.87 0.00 0.00 176.83 175.79 3hwx h TRP 185 N 0.00 0.01 -0.03 4.77 7.01 -1.82 -2.49 115.95 123.39 3hwx h TRP 185 Ca 0.01 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 3hwx h TRP 185 Cb 0.08 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3hwx h TRP 185 CO 0.00 0.07 -0.11 1.96 -2.79 0.00 0.00 178.44 177.57 3hwx h GLN 186 N -0.06 0.05 0.00 2.65 4.20 0.40 -3.01 115.11 119.34 3hwx h GLN 186 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hwx h GLN 186 Cb 0.07 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3hwx h GLN 186 CO -0.00 0.17 0.00 1.04 -0.67 0.00 0.00 178.83 179.36 3hwx n GLN 187 N -4.38 0.02 0.16 1.46 6.02 0.11 -2.88 117.38 117.88 3hwx n GLN 187 Ca -0.02 0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 3hwx n GLN 187 Cb 0.20 -1.52 0.58 0.00 1.02 0.00 0.00 30.24 30.52 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 -1.56 0.15 0.01 -1.09 5.12 -0.97 -0.96 116.66 117.36 3hwx n ARG 188 Ca 0.07 0.61 -0.05 0.00 -1.93 0.00 0.00 57.85 56.54 3hwx n ARG 188 Cb 0.34 -1.95 -0.12 0.00 -1.16 0.00 0.00 32.46 29.58 3hwx n ARG 188 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3hwx h LEU 189 N 0.00 0.00 0.00 0.55 3.38 -1.76 -3.47 115.31 114.01 3hwx h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwx h LEU 189 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hwx h LEU 189 CO 0.00 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.99 3hwx n GLY 190 N 1.48 0.37 0.00 0.83 0.00 -0.14 -3.74 105.19 103.99 3hwx n GLY 190 Ca -0.13 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 3.65 0.00 -0.32 1.61 5.68 -1.26 -2.23 116.55 123.68 3hwx n ASP 191 Ca 0.00 0.45 0.19 0.00 -0.50 0.00 0.00 54.79 54.93 3hwx n ASP 191 Cb 0.00 -0.47 0.39 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.52 -1.13 2.11 7.01 -1.96 1.40 115.95 123.90 3hwx h TRP 192 Ca 0.00 0.05 0.32 0.00 2.11 0.00 0.00 58.89 61.37 3hwx h TRP 192 Cb 0.14 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.07 3hwx h TRP 192 CO 0.00 -0.28 0.79 -1.49 -2.79 0.00 0.00 178.44 174.67 3hwx h TRP 193 N 0.17 0.17 -0.50 2.65 4.06 -1.74 0.13 115.95 120.89 3hwx h TRP 193 Ca 0.66 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.61 3hwx h TRP 193 Cb 1.47 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.58 3hwx h TRP 193 CO -0.19 0.01 0.00 1.04 -3.56 0.00 0.00 178.44 175.74 3hwx n GLN 194 N -4.31 2.57 -2.74 0.49 3.00 0.48 -4.96 117.38 111.91 3hwx n GLN 194 Ca 0.25 -2.33 -0.21 0.00 -0.01 0.00 0.00 57.00 54.71 3hwx n GLN 194 Cb 1.14 -1.46 0.05 0.00 0.00 0.00 0.00 30.24 29.97 3hwx n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hwx s ASP 195 N -1.14 5.08 -0.11 1.08 2.15 0.44 -5.03 116.67 119.16 3hwx s ASP 195 Ca 0.38 -0.28 0.14 0.00 0.43 0.00 0.00 52.55 53.22 3hwx s ASP 195 Cb 0.21 -0.47 0.35 0.00 -0.30 0.00 0.00 42.92 42.71 3hwx s ASP 195 CO 0.28 -1.29 1.26 -0.90 -0.17 0.00 0.00 175.17 174.35 3hwx n ASP 196 N -2.37 3.02 -4.43 -0.34 5.75 -1.26 -5.02 116.55 111.90 3hwx n ASP 196 Ca 0.11 -2.73 -0.26 0.00 -0.01 0.00 0.00 54.79 51.90 3hwx n ASP 196 Cb 0.60 -0.38 -0.11 0.00 -1.03 0.00 0.00 41.12 40.19 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hwx s LYS 197 N -2.29 1.54 0.42 0.11 1.02 -1.26 -4.76 119.74 114.52 3hwx s LYS 197 Ca 0.30 -1.57 -0.26 0.00 0.02 0.00 0.00 55.97 54.46 3hwx s LYS 197 Cb 0.24 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.65 3hwx s LYS 197 CO 0.07 0.38 1.44 -2.30 -0.92 0.00 0.00 175.35 174.03 3hwx n PRO 198 N 0.08 2.38 0.14 -1.68 -0.02 -1.26 -4.90 135.00 129.75 3hwx n PRO 198 Ca -0.11 0.84 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 3hwx n PRO 198 Cb 0.57 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.50 -0.30 -3.32 6.00 2.91 -1.96 -3.39 115.95 118.39 3hwx h TRP 199 Ca -0.51 -0.00 -0.64 0.00 1.13 0.00 0.00 58.89 58.87 3hwx h TRP 199 Cb 1.26 0.11 -0.24 0.00 -0.51 0.00 0.00 29.16 29.78 3hwx h TRP 199 CO 0.51 -0.19 -0.70 -1.17 -1.03 0.00 0.00 178.44 175.86 3hwx s LEU 200 N -10.17 3.06 -0.44 0.65 2.96 -1.26 -5.09 118.68 108.39 3hwx s LEU 200 Ca -0.15 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 3hwx s LEU 200 Cb 0.06 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 45.06 3hwx s LEU 200 CO 0.65 0.15 0.38 -0.13 -1.32 0.00 0.00 176.35 176.08 3hwx s ARG 201 N 0.45 3.00 -0.33 1.98 0.52 -1.26 -4.75 118.95 118.56 3hwx s ARG 201 Ca -0.06 -1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 3hwx s ARG 201 Cb -0.15 -4.04 0.11 0.00 0.52 0.00 0.00 34.95 31.39 3hwx s ARG 201 CO 0.03 -0.89 0.13 -2.00 0.02 0.00 0.00 175.30 172.59 3hwx s GLU 202 N 1.81 0.70 -0.36 3.54 2.12 -1.26 -5.02 118.70 120.22 3hwx s GLU 202 Ca 0.07 -1.14 0.13 0.00 0.36 0.00 0.00 54.97 54.38 3hwx s GLU 202 Cb -0.20 -1.86 0.38 0.00 0.26 0.00 0.00 34.13 32.71 3hwx s GLU 202 CO 0.10 -1.04 0.86 0.00 -0.54 0.00 0.00 175.26 174.64 3hwx n ALA 203 N 4.66 2.13 -1.77 6.30 0.00 -1.26 -3.05 120.51 127.52 3hwx n ALA 203 Ca 0.00 -3.06 -0.41 0.00 0.00 0.00 0.00 53.44 49.98 3hwx n ALA 203 Cb 0.41 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3hwx n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hwx s PRO 204 N -2.27 4.20 0.05 0.00 0.04 -1.26 -4.96 135.00 130.80 3hwx s PRO 204 Ca 0.34 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.42 3hwx s PRO 204 Cb 0.38 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 3hwx s PRO 204 CO -0.04 -0.35 0.85 0.50 0.04 0.00 0.00 177.00 177.99 3hwx s ARG 205 N -1.97 4.56 -0.30 4.56 3.00 -1.26 -5.02 118.95 122.52 3hwx s ARG 205 Ca 0.52 1.22 -0.11 0.00 -1.00 0.00 0.00 55.73 56.35 3hwx s ARG 205 Cb -0.42 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.11 3hwx s ARG 205 CO 0.55 0.20 0.20 -1.17 0.00 0.00 0.00 175.30 175.08 3hwx s LEU 206 N 0.17 4.15 -0.10 -0.88 2.96 -1.26 -5.07 118.68 118.65 3hwx s LEU 206 Ca 0.43 -0.16 -0.25 0.00 -0.22 0.00 0.00 54.13 53.93 3hwx s LEU 206 Cb -0.21 -2.11 0.06 0.00 0.50 0.00 0.00 46.19 44.42 3hwx s LEU 206 CO 0.25 -0.11 0.59 -0.70 -1.32 0.00 0.00 176.35 175.06 3hwx s GLU 207 N 1.74 0.87 0.10 1.98 2.12 -1.26 -4.86 118.70 119.39 3hwx s GLU 207 Ca 0.07 0.38 -0.28 0.00 0.36 0.00 0.00 54.97 55.50 3hwx s GLU 207 Cb -0.16 0.41 -0.06 0.00 0.26 0.00 0.00 34.13 34.58 3hwx s GLU 207 CO 0.10 -0.22 0.86 -1.12 -0.54 0.00 0.00 175.26 174.35 3hwx s SER 208 N -0.71 7.39 0.86 -1.70 0.01 -0.31 -5.00 113.70 114.24 3hwx s SER 208 Ca -0.08 1.65 -0.12 0.00 1.31 0.00 0.00 55.95 58.72 3hwx s SER 208 Cb -0.02 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.78 3hwx s SER 208 CO 0.06 0.01 1.10 -0.70 0.41 0.00 0.00 173.24 174.12 3hwx s GLU 209 N -0.22 1.53 0.24 12.44 2.12 -1.26 -4.87 118.70 128.68 3hwx s GLU 209 Ca 0.42 0.59 -0.31 0.00 0.36 0.00 0.00 54.97 56.03 3hwx s GLU 209 Cb -0.22 -1.86 -0.12 0.00 0.26 0.00 0.00 34.13 32.19 3hwx s GLU 209 CO 0.27 -1.99 1.68 1.17 -0.54 0.00 0.00 175.26 175.84 3hwx n LYS 210 N -3.68 2.75 -2.54 4.30 4.81 -1.26 -4.93 118.16 117.62 3hwx n LYS 210 Ca 0.07 0.99 -0.41 0.00 -0.87 0.00 0.00 58.31 58.09 3hwx n LYS 210 Cb 0.57 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 32.78 3hwx n LYS 210 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hwx s GLN 211 N 0.50 3.51 0.03 1.64 -1.52 -1.26 -4.86 119.66 117.71 3hwx s GLN 211 Ca 0.71 -1.00 0.01 0.00 -1.95 0.00 0.00 55.36 53.13 3hwx s GLN 211 Cb -0.50 -5.23 0.08 0.00 -0.22 0.00 0.00 33.01 27.14 3hwx s GLN 211 CO 0.39 -2.24 0.93 0.54 -0.25 0.00 0.00 175.29 174.65 3hwx n ARG 212 N 8.94 0.01 -0.78 2.91 3.00 -1.26 -1.72 116.66 127.77 3hwx n ARG 212 Ca 0.30 0.40 -0.03 0.00 -0.01 0.00 0.00 57.85 58.50 3hwx n ARG 212 Cb 0.51 -1.66 0.22 0.00 0.00 0.00 0.00 32.46 31.52 3hwx n ARG 212 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3hwx n ASP 213 N -1.45 3.10 0.01 0.55 5.75 -1.26 -4.70 116.55 118.55 3hwx n ASP 213 Ca -0.00 -3.54 -0.12 0.00 -0.01 0.00 0.00 54.79 51.12 3hwx n ASP 213 Cb 0.13 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 3hwx n ASP 213 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hwx h TRP 214 N 1.29 0.78 -0.03 2.11 -0.00 -1.75 -1.35 115.95 117.00 3hwx h TRP 214 Ca 0.22 -0.32 -0.04 0.00 -0.00 0.00 0.00 58.89 58.75 3hwx h TRP 214 Cb 1.78 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 30.81 3hwx h TRP 214 CO 0.98 1.10 -0.16 0.74 -0.00 0.00 0.00 178.44 181.09 3hwx h PHE 215 N 0.43 0.05 0.36 2.65 -1.00 -1.85 0.36 116.94 117.94 3hwx h PHE 215 Ca -0.02 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 3hwx h PHE 215 Cb 1.26 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.81 3hwx h PHE 215 CO 0.06 0.21 -0.17 0.35 -1.61 0.00 0.00 178.31 177.14 3hwx h PHE 216 N 0.04 -0.45 -0.13 -0.55 3.57 -1.87 -3.37 116.94 114.18 3hwx h PHE 216 Ca 0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3hwx h PHE 216 Cb 0.31 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3hwx h PHE 216 CO 0.00 -0.18 -0.11 -1.49 -2.23 0.00 0.00 178.31 174.30 3hwx h TRP 217 N -1.05 0.21 0.00 0.41 4.06 -0.31 -2.50 115.95 116.76 3hwx h TRP 217 Ca -0.05 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.88 3hwx h TRP 217 Cb 0.48 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 3hwx h TRP 217 CO 0.02 0.32 0.00 2.89 -3.56 0.00 0.00 178.44 178.11 3hwx n ARG 218 N -4.31 0.10 0.04 0.49 1.85 0.12 -2.21 116.66 112.73 3hwx n ARG 218 Ca -0.01 0.11 0.11 0.00 -1.00 0.00 0.00 57.85 57.07 3hwx n ARG 218 Cb 0.24 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.17 3hwx n ARG 218 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3hwx n GLN 219 N -1.44 0.36 -1.89 2.89 6.02 -0.94 -4.88 117.38 117.51 3hwx n GLN 219 Ca 0.07 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 3hwx n GLN 219 Cb 0.23 -1.63 0.14 0.00 1.02 0.00 0.00 30.24 30.00 3hwx n GLN 219 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hwx s LYS 220 N -3.24 1.32 -0.83 -1.09 -0.14 -0.94 -4.95 119.74 109.86 3hwx s LYS 220 Ca 0.02 -0.11 -0.25 0.00 -1.36 0.00 0.00 55.97 54.27 3hwx s LYS 220 Cb 0.14 -1.90 0.04 0.00 -1.68 0.00 0.00 37.83 34.43 3hwx s LYS 220 CO 0.80 -2.00 1.32 1.03 -0.76 0.00 0.00 175.35 175.74 3hwx s ARG 221 N -5.70 3.32 0.49 1.68 0.52 -1.26 -4.97 118.95 113.03 3hwx s ARG 221 Ca 0.67 -0.57 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 3hwx s ARG 221 Cb -0.08 -4.57 0.03 0.00 0.52 0.00 0.00 34.95 30.86 3hwx s ARG 221 CO 0.51 -2.15 0.68 0.20 0.02 0.00 0.00 175.30 174.56 3hwx s GLY 222 N 4.13 1.88 0.03 -3.53 0.00 -1.26 -0.69 107.32 107.88 3hwx s GLY 222 Ca 0.38 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 43.49 3hwx s GLY 222 CO 0.06 -1.41 -0.21 0.14 0.00 0.00 0.00 173.10 171.68 3hwx s VAL 223 N -2.54 1.72 -0.20 1.40 1.01 0.60 -4.32 120.40 118.07 3hwx s VAL 223 Ca 0.57 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3hwx s VAL 223 Cb -0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3hwx s VAL 223 CO 0.36 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 175.00 3hwx s VAL 224 N -0.73 3.44 -0.16 2.92 1.01 -0.77 -0.32 120.40 125.79 3hwx s VAL 224 Ca 0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3hwx s VAL 224 Cb -0.09 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3hwx s VAL 224 CO 0.01 0.44 -0.07 -0.69 0.00 0.00 0.00 175.10 174.80 3hwx s VAL 225 N 1.22 3.58 -0.27 2.92 1.01 -0.49 -0.58 120.40 127.78 3hwx s VAL 225 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3hwx s VAL 225 Cb -0.14 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3hwx s VAL 225 CO -0.01 0.49 -0.02 0.00 0.00 0.00 0.00 175.10 175.56 3hwx s ALA 226 N 0.49 2.78 0.01 5.51 0.00 -0.26 0.23 121.76 130.51 3hwx s ALA 226 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.33 3hwx s ALA 226 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3hwx s ALA 226 CO 0.03 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3hwx n GLY 227 N 4.67 1.82 3.73 0.00 0.00 0.11 -0.65 105.19 114.88 3hwx n GLY 227 Ca -0.15 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3hwx n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hwx s ARG 228 N 4.43 4.59 0.02 1.61 3.52 -0.34 -2.72 118.95 130.06 3hwx s ARG 228 Ca 0.00 1.68 -0.01 0.00 -0.13 0.00 0.00 55.73 57.27 3hwx s ARG 228 Cb 0.00 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3hwx s ARG 228 CO 0.00 0.05 0.05 0.00 -0.81 0.00 0.00 175.30 174.60 3hwx n MET 229 N 2.65 0.07 -2.94 5.12 0.00 -1.23 -3.56 117.12 117.24 3hwx n MET 229 Ca 0.03 -0.14 -0.28 0.00 0.00 0.00 0.00 57.70 57.31 3hwx n MET 229 Cb 0.47 0.18 -0.02 0.00 0.00 0.00 0.00 33.22 33.85 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 -1.14 6.38 0.14 3.17 1.04 -1.26 -4.90 113.70 117.13 3hwx s SER 230 Ca 0.01 0.89 -0.24 0.00 0.48 0.00 0.00 55.95 57.09 3hwx s SER 230 Cb -0.00 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.90 3hwx s SER 230 CO 0.01 -0.41 1.62 0.00 0.98 0.00 0.00 173.24 175.44 3hwx h ALA 231 N 0.90 -0.25 -0.74 5.32 0.00 -1.89 0.10 119.26 122.70 3hwx h ALA 231 Ca -0.47 0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.65 3hwx h ALA 231 Cb 1.20 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 3hwx h ALA 231 CO 0.63 -0.73 0.14 0.93 0.00 0.00 0.00 179.25 180.23 3hwx h GLU 232 N -0.32 0.22 -0.93 0.00 4.39 -1.93 -0.54 114.58 115.48 3hwx h GLU 232 Ca 0.12 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3hwx h GLU 232 Cb 0.50 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3hwx h GLU 232 CO -0.36 0.15 0.55 0.93 -1.16 0.00 0.00 179.01 179.11 3hwx h GLU 233 N 0.23 1.26 -0.32 2.33 5.08 -1.37 -2.36 114.58 119.43 3hwx h GLU 233 Ca 0.42 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 3hwx h GLU 233 Cb 0.72 -0.26 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 3hwx h GLU 233 CO -0.54 0.89 -0.47 0.78 -1.00 0.00 0.00 179.01 178.67 3hwx h GLY 234 N 1.28 -0.73 0.06 -3.84 0.00 0.79 0.21 103.07 100.84 3hwx h GLY 234 Ca 0.33 0.59 0.08 0.00 0.00 0.00 0.00 47.33 48.33 3hwx h GLY 234 CO -0.06 -0.18 -0.21 0.50 0.00 0.00 0.00 176.54 176.59 3hwx h LYS 235 N -0.41 -0.15 -0.14 4.80 1.57 -1.36 0.19 116.57 121.08 3hwx h LYS 235 Ca 0.10 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3hwx h LYS 235 Cb 0.61 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3hwx h LYS 235 CO -0.53 -0.10 -0.01 0.87 -0.57 0.00 0.00 179.45 179.11 3hwx h LYS 236 N -0.16 0.04 -0.59 3.15 1.57 -0.82 -1.96 116.57 117.81 3hwx h LYS 236 Ca 0.18 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3hwx h LYS 236 Cb 0.43 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3hwx h LYS 236 CO -0.45 0.03 0.39 0.28 -0.57 0.00 0.00 179.45 179.13 3hwx h VAL 237 N 0.04 1.11 -0.16 0.50 2.07 0.04 -2.13 116.25 117.71 3hwx h VAL 237 Ca 0.07 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3hwx h VAL 237 Cb 0.08 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3hwx h VAL 237 CO -0.12 0.14 -0.36 0.00 0.02 0.00 0.00 177.57 177.25 3hwx h ALA 238 N 1.65 1.08 -0.06 1.67 0.00 -0.09 -2.28 119.26 121.22 3hwx h ALA 238 Ca 0.23 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 3hwx h ALA 238 Cb -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hwx h ALA 238 CO -0.06 0.58 -0.72 -0.07 0.00 0.00 0.00 179.25 178.98 3hwx h LEU 239 N 0.30 0.74 -0.47 0.00 3.38 -1.03 -2.85 115.31 115.38 3hwx h LEU 239 Ca 0.03 -0.69 -0.16 0.00 0.09 0.00 0.00 57.88 57.15 3hwx h LEU 239 Cb 0.78 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hwx h LEU 239 CO 0.06 1.33 -0.49 -0.25 0.09 0.00 0.00 178.44 179.18 3hwx h TRP 240 N 0.22 0.87 -0.17 1.13 7.01 -1.39 0.56 115.95 124.19 3hwx h TRP 240 Ca -0.07 -0.29 -0.20 0.00 2.11 0.00 0.00 58.89 60.44 3hwx h TRP 240 Cb 1.38 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 3hwx h TRP 240 CO 0.11 1.05 -0.68 0.00 -2.79 0.00 0.00 178.44 176.14 3hwx h ALA 241 N 0.89 0.47 -0.40 2.65 0.00 -1.51 -2.10 119.26 119.27 3hwx h ALA 241 Ca 0.03 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 3hwx h ALA 241 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3hwx h ALA 241 CO 0.10 0.70 -0.36 0.37 0.00 0.00 0.00 179.25 180.07 3hwx h GLN 242 N 0.49 0.94 -0.33 0.00 4.15 -1.27 -1.62 115.11 117.48 3hwx h GLN 242 Ca -0.02 -0.48 0.07 0.00 0.77 0.00 0.00 58.65 58.99 3hwx h GLN 242 Cb 1.28 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.89 3hwx h GLN 242 CO 0.14 1.14 -0.32 1.15 -1.93 0.00 0.00 178.83 179.00 3hwx h THR 243 N 0.78 0.25 0.00 2.39 2.02 -0.86 -1.16 112.91 116.33 3hwx h THR 243 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3hwx h THR 243 Cb 0.95 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3hwx h THR 243 CO 0.09 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.16 3hwx n LEU 244 N -5.41 0.00 -3.72 2.58 4.77 -0.79 -2.38 117.00 112.05 3hwx n LEU 244 Ca -0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3hwx n LEU 244 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3hwx n LEU 244 CO 0.09 0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.73 3hwx n GLY 245 N 0.09 -0.47 3.94 -0.72 0.00 -0.44 -4.52 105.19 103.08 3hwx n GLY 245 Ca 0.13 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.02 3.27 -0.04 1.61 0.51 -0.66 -3.52 118.94 117.09 3hwx s TRP 246 Ca 0.54 0.36 -0.20 0.00 -2.12 0.00 0.00 56.10 54.68 3hwx s TRP 246 Cb -0.29 -2.37 -0.05 0.00 -0.81 0.00 0.00 33.47 29.95 3hwx s TRP 246 CO 0.66 -0.41 0.59 -1.25 -0.51 0.00 0.00 176.95 176.03 3hwx s PRO 247 N -4.64 4.34 -0.23 4.98 0.04 -1.26 -4.63 135.00 133.60 3hwx s PRO 247 Ca 0.49 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 3hwx s PRO 247 Cb -0.10 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 3hwx s PRO 247 CO 0.40 0.26 0.31 -1.17 0.04 0.00 0.00 177.00 176.84 3hwx s LEU 248 N 0.20 4.11 -0.62 -3.56 2.96 -1.26 -1.84 118.68 118.67 3hwx s LEU 248 Ca 0.31 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.44 3hwx s LEU 248 Cb -0.17 -2.35 0.16 0.00 0.50 0.00 0.00 46.19 44.33 3hwx s LEU 248 CO 0.16 -0.06 0.49 -0.63 -1.32 0.00 0.00 176.35 174.99 3hwx s ILE 249 N 1.46 4.43 -0.04 6.68 1.01 0.25 -4.29 121.20 130.70 3hwx s ILE 249 Ca 0.14 -2.35 -0.15 0.00 0.00 0.00 0.00 60.65 58.28 3hwx s ILE 249 Cb -0.15 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 3hwx s ILE 249 CO 0.08 -0.88 0.41 -0.83 0.00 0.00 0.00 174.94 173.72 3hwx s GLY 250 N 1.90 2.44 0.51 6.18 0.00 -1.26 -1.11 107.32 115.98 3hwx s GLY 250 Ca 0.13 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 3hwx s GLY 250 CO -0.04 0.30 0.90 -0.35 0.00 0.00 0.00 173.10 173.92 3hwx s ASP 251 N -0.60 6.42 0.39 1.64 2.15 0.18 -4.91 116.67 121.94 3hwx s ASP 251 Ca 0.24 1.29 0.07 0.00 0.43 0.00 0.00 52.55 54.57 3hwx s ASP 251 Cb -0.16 -2.40 0.81 0.00 -0.30 0.00 0.00 42.92 40.87 3hwx s ASP 251 CO 0.12 -0.61 2.02 -0.37 -0.17 0.00 0.00 175.17 176.15 3hwx h VAL 252 N 0.49 1.07 0.00 1.11 -1.51 -1.87 0.63 116.25 116.17 3hwx h VAL 252 Ca -0.46 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3hwx h VAL 252 Cb 1.19 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 3hwx h VAL 252 CO 0.62 0.12 0.00 0.18 -1.23 0.00 0.00 177.57 177.26 3hwx n LEU 253 N -4.47 0.00 0.02 4.19 4.32 -1.26 -3.80 117.00 116.00 3hwx n LEU 253 Ca 0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.01 3hwx n LEU 253 Cb 0.13 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.83 3hwx n LEU 253 CO 0.35 0.00 -0.30 0.77 -1.22 0.00 0.00 177.39 176.99 3hwx h SER 254 N 0.00 0.00 -4.13 -1.43 4.64 -0.66 -3.26 113.55 108.71 3hwx h SER 254 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3hwx h SER 254 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hwx h SER 254 CO 0.00 0.79 -0.48 0.00 -0.87 0.00 0.00 176.83 176.28 3hwx n GLN 255 N -3.02 -2.95 0.07 4.77 6.02 -1.25 -4.08 117.38 116.94 3hwx n GLN 255 Ca -0.11 0.73 0.13 0.00 -0.01 0.00 0.00 57.00 57.73 3hwx n GLN 255 Cb 0.93 -5.42 0.32 0.00 1.02 0.00 0.00 30.24 27.08 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 -3.88 0.39 -0.35 5.09 -2.24 -1.26 -1.20 114.28 110.83 3hwx n THR 256 Ca -0.13 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3hwx n THR 256 Cb 0.62 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3hwx n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 257 N 1.35 0.68 3.12 3.38 0.00 -1.25 -4.58 105.19 107.89 3hwx n GLY 257 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hwx n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 258 N -2.00 -1.46 0.00 1.61 6.02 -1.26 -4.63 117.38 115.66 3hwx n GLN 258 Ca 0.00 1.00 0.05 0.00 -0.01 0.00 0.00 57.00 58.04 3hwx n GLN 258 Cb 0.00 -1.61 0.25 0.00 1.02 0.00 0.00 30.24 29.89 3hwx n GLN 258 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3hwx n PRO 259 N -0.60 0.20 -3.23 -1.09 -0.04 -1.26 -3.21 135.00 125.77 3hwx n PRO 259 Ca -0.11 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 3hwx n PRO 259 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 3hwx n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hwx n LEU 260 N -1.17 0.66 -4.75 1.53 4.77 -1.26 -5.03 117.00 111.75 3hwx n LEU 260 Ca 0.05 -4.79 -0.29 0.00 -0.03 0.00 0.00 56.01 50.95 3hwx n LEU 260 Cb 0.06 0.46 0.13 0.00 -2.33 0.00 0.00 43.42 41.73 3hwx n LEU 260 CO 0.06 2.06 0.69 -2.16 -1.33 0.00 0.00 177.39 176.71 3hwx s PRO 261 N -1.34 1.39 -1.20 3.23 0.04 -1.20 -3.86 135.00 132.07 3hwx s PRO 261 Ca 0.36 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 3hwx s PRO 261 Cb 0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.87 3hwx s PRO 261 CO -0.10 -2.10 0.19 0.00 0.04 0.00 0.00 177.00 175.03 3hwx h ALA 263 N 0.71 1.60 0.00 0.00 0.00 -1.82 0.20 119.26 119.95 3hwx h ALA 263 Ca -0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3hwx h ALA 263 Cb 1.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hwx h ALA 263 CO 0.41 -0.26 -0.17 0.22 0.00 0.00 0.00 179.25 179.46 3hwx h ASP 264 N 0.00 0.00 0.11 0.00 3.58 -1.85 0.11 116.42 118.36 3hwx h ASP 264 Ca 0.06 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.17 3hwx h ASP 264 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3hwx h ASP 264 CO -0.00 0.17 -1.85 -0.07 -2.88 0.00 0.00 179.24 174.60 3hwx h LEU 265 N 0.00 0.36 0.00 2.28 3.38 -0.95 -3.40 115.31 116.98 3hwx h LEU 265 Ca -0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 3hwx h LEU 265 Cb 0.94 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hwx h LEU 265 CO 0.02 1.79 -0.05 -2.67 0.09 0.00 0.00 178.44 177.62 3hwx n TRP 266 N -3.66 0.70 0.37 1.13 4.27 -0.64 -2.20 117.44 117.41 3hwx n TRP 266 Ca -0.31 0.20 0.14 0.00 -3.89 0.00 0.00 57.50 53.64 3hwx n TRP 266 Cb 0.99 -0.82 0.50 0.00 -1.36 0.00 0.00 31.31 30.61 3hwx n TRP 266 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3hwx h LEU 267 N 0.00 0.00 0.00 5.67 3.38 -1.00 -3.06 115.31 120.30 3hwx h LEU 267 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwx h LEU 267 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hwx h LEU 267 CO 0.00 0.00 -0.09 0.61 0.09 0.00 0.00 178.44 179.05 3hwx n GLY 268 N 0.40 -1.58 3.72 0.83 0.00 -0.93 -4.65 105.19 102.97 3hwx n GLY 268 Ca 0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.88 7.14 0.63 1.61 3.84 -1.16 -4.73 114.94 118.40 3hwx s ASN 269 Ca 0.11 1.37 0.32 0.00 0.21 0.00 0.00 52.86 54.88 3hwx s ASN 269 Cb 0.15 -2.47 1.76 0.00 -0.55 0.00 0.00 41.25 40.15 3hwx s ASN 269 CO 0.59 -0.13 2.05 0.00 -2.79 0.00 0.00 177.10 176.83 3hwx h ALA 270 N 6.53 1.53 -0.25 1.71 0.00 -1.87 -2.60 119.26 124.32 3hwx h ALA 270 Ca -0.42 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 3hwx h ALA 270 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hwx h ALA 270 CO 0.74 -0.31 -0.60 0.87 0.00 0.00 0.00 179.25 179.95 3hwx h LYS 271 N 0.00 0.85 -0.20 0.00 1.57 -1.92 -2.90 116.57 113.96 3hwx h LYS 271 Ca 0.05 -0.58 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 3hwx h LYS 271 Cb 0.56 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3hwx h LYS 271 CO -0.00 1.20 0.00 0.00 -0.57 0.00 0.00 179.45 180.09 3hwx h ALA 272 N 0.64 0.27 0.00 3.86 0.00 -1.72 -2.31 119.26 120.01 3hwx h ALA 272 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hwx h ALA 272 Cb 1.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hwx h ALA 272 CO 0.13 -0.01 -0.14 1.79 0.00 0.00 0.00 179.25 181.01 3hwx h THR 273 N 0.12 0.72 0.08 0.00 1.35 -1.61 -0.03 112.91 113.55 3hwx h THR 273 Ca 0.06 -0.58 -0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3hwx h THR 273 Cb 0.39 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3hwx h THR 273 CO 0.01 0.14 -0.04 0.28 -0.25 0.00 0.00 175.52 175.66 3hwx h SER 274 N 0.00 -0.10 -0.30 5.36 0.02 -1.39 -1.56 113.55 115.59 3hwx h SER 274 Ca -0.00 -0.48 0.07 0.00 -0.84 0.00 0.00 61.79 60.54 3hwx h SER 274 Cb 0.34 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 3hwx h SER 274 CO 0.02 0.48 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.80 3hwx h GLU 275 N -0.73 -0.28 -0.47 3.45 4.81 -1.25 -2.68 114.58 117.44 3hwx h GLU 275 Ca -0.01 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3hwx h GLU 275 Cb 0.57 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3hwx h GLU 275 CO 0.02 -0.19 0.31 -0.07 -0.73 0.00 0.00 179.01 178.35 3hwx h LEU 276 N -0.29 0.35 -1.32 1.64 3.38 -1.02 0.11 115.31 118.16 3hwx h LEU 276 Ca 0.14 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3hwx h LEU 276 Cb 0.53 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hwx h LEU 276 CO -0.46 0.23 0.60 1.56 0.09 0.00 0.00 178.44 180.46 3hwx h GLN 277 N 0.40 0.00 0.00 1.13 4.20 -0.91 0.94 115.11 120.88 3hwx h GLN 277 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3hwx h GLN 277 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3hwx h GLN 277 CO -0.05 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.07 3hwx h GLN 278 N 0.00 0.00 -6.58 1.46 4.20 -0.85 -3.47 115.11 109.87 3hwx h GLN 278 Ca 0.05 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.23 3hwx h GLN 278 Cb 1.25 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.07 3hwx h GLN 278 CO -0.00 0.00 0.93 0.00 -0.67 0.00 0.00 178.83 179.08 3hwx s ALA 279 N -3.48 3.78 -0.13 3.87 0.00 0.32 -4.86 121.76 121.26 3hwx s ALA 279 Ca 0.03 1.38 0.20 0.00 0.00 0.00 0.00 51.96 53.57 3hwx s ALA 279 Cb 0.08 -3.65 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 3hwx s ALA 279 CO 0.56 -0.87 0.67 1.04 0.00 0.00 0.00 175.76 177.15 3hwx n GLN 280 N 4.30 0.64 -3.82 0.00 6.02 0.14 -4.28 117.38 120.38 3hwx n GLN 280 Ca 0.15 0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 57.05 3hwx n GLN 280 Cb 0.38 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.83 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 -3.15 -0.00 -0.17 5.09 2.07 -1.19 -0.51 121.20 123.33 3hwx s ILE 281 Ca -0.05 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.19 3hwx s ILE 281 Cb 0.10 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.49 3hwx s ILE 281 CO 0.84 0.00 -0.15 -0.69 -1.91 0.00 0.00 174.94 173.03 3hwx s VAL 282 N 0.09 2.61 -0.33 4.00 1.01 -0.85 -0.29 120.40 126.64 3hwx s VAL 282 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3hwx s VAL 282 Cb -0.01 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.31 3hwx s VAL 282 CO 0.00 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 174.97 3hwx s VAL 283 N 1.07 3.23 -0.21 2.92 1.01 0.56 0.34 120.40 129.32 3hwx s VAL 283 Ca -0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 3hwx s VAL 283 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3hwx s VAL 283 CO -0.04 -0.21 0.06 -1.58 0.00 0.00 0.00 175.10 173.32 3hwx s GLN 284 N 1.27 3.83 -0.23 2.72 0.74 0.12 -1.40 119.66 126.71 3hwx s GLN 284 Ca -0.02 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 54.93 3hwx s GLN 284 Cb -0.20 -3.24 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 3hwx s GLN 284 CO -0.01 0.09 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.31 3hwx s LEU 285 N 0.87 3.09 0.00 3.68 1.43 0.13 -0.81 118.68 127.07 3hwx s LEU 285 Ca 0.03 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3hwx s LEU 285 Cb -0.14 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3hwx s LEU 285 CO 0.02 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3hwx n GLY 286 N 4.76 -0.98 0.00 -3.19 0.00 0.33 0.09 105.19 106.19 3hwx n GLY 286 Ca -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.65 0.48 -3.96 1.61 3.41 -1.23 -4.29 113.62 107.99 3hwx n SER 287 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3hwx n SER 287 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3hwx n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hwx n SER 288 N 0.00 -3.79 -4.48 4.04 7.64 -1.26 -1.20 113.62 114.58 3hwx n SER 288 Ca 0.00 -1.18 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 3hwx n SER 288 Cb 0.00 -2.34 0.01 0.00 -1.01 0.00 0.00 64.21 60.87 3hwx n SER 288 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hwx n LEU 289 N -4.69 0.36 -0.03 -3.43 4.32 -1.26 -4.73 117.00 107.53 3hwx n LEU 289 Ca -0.14 0.93 -0.02 0.00 -0.02 0.00 0.00 56.01 56.76 3hwx n LEU 289 Cb 0.59 -1.15 -0.01 0.00 -1.62 0.00 0.00 43.42 41.24 3hwx n LEU 289 CO 0.73 -2.68 -0.18 0.41 -1.22 0.00 0.00 177.39 174.46 3hwx n THR 290 N -0.79 0.61 -2.28 -5.08 -1.04 -1.26 -5.02 114.28 99.42 3hwx n THR 290 Ca 0.11 0.37 -0.31 0.00 -2.04 0.00 0.00 64.05 62.19 3hwx n THR 290 Cb 0.39 -1.88 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 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 -3.38 1.81 0.23 3.41 0.00 -1.26 -4.97 107.32 103.16 3hwx s GLY 291 Ca -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.50 3hwx s GLY 291 CO 0.11 0.17 1.86 1.70 0.00 0.00 0.00 173.10 176.94 3hwx h LYS 292 N 0.38 0.94 0.00 2.90 3.64 -1.95 -2.66 116.57 119.81 3hwx h LYS 292 Ca -0.46 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.78 3hwx h LYS 292 Cb 1.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3hwx h LYS 292 CO 0.62 0.62 -0.43 0.00 -2.27 0.00 0.00 179.45 178.00 3hwx h ARG 293 N 0.97 0.00 0.11 1.90 -0.00 -1.92 0.18 114.38 115.61 3hwx h ARG 293 Ca 0.34 0.00 -0.27 0.00 -0.50 0.00 0.00 59.98 59.55 3hwx h ARG 293 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.06 3hwx h ARG 293 CO -0.14 0.43 -1.19 1.25 0.00 0.00 0.00 179.97 180.31 3hwx h LEU 294 N 0.00 0.43 -0.33 3.04 5.85 -1.85 -0.29 115.31 122.16 3hwx h LEU 294 Ca -0.00 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3hwx h LEU 294 Cb 0.88 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hwx h LEU 294 CO 0.06 1.33 0.07 -0.07 -0.34 0.00 0.00 178.44 179.48 3hwx h LEU 295 N 0.09 0.50 -0.90 2.25 3.38 -1.30 0.51 115.31 119.85 3hwx h LEU 295 Ca -0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 3hwx h LEU 295 Cb 1.91 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 3hwx h LEU 295 CO 0.20 0.61 0.33 1.56 0.09 0.00 0.00 178.44 181.22 3hwx h GLN 296 N 0.37 1.13 -0.23 1.13 4.20 -0.64 -1.61 115.11 119.46 3hwx h GLN 296 Ca 0.10 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 3hwx h GLN 296 Cb 0.31 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hwx h GLN 296 CO 0.00 0.90 -0.50 2.35 -0.67 0.00 0.00 178.83 180.91 3hwx h TRP 297 N 1.11 0.79 -0.38 2.96 7.01 -0.96 -2.80 115.95 123.67 3hwx h TRP 297 Ca 0.26 -0.26 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 3hwx h TRP 297 Cb 0.18 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3hwx h TRP 297 CO 0.02 1.01 0.16 0.37 -2.79 0.00 0.00 178.44 177.21 3hwx h GLN 298 N 0.50 0.57 0.00 2.65 -0.00 -0.63 -1.27 115.11 116.92 3hwx h GLN 298 Ca 0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 3hwx h GLN 298 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.44 3hwx h GLN 298 CO 0.10 0.53 0.00 0.00 0.00 0.00 0.00 178.83 179.46 3hwx h ALA 299 N 1.01 1.00 0.00 3.38 0.00 -1.28 -3.27 119.26 120.10 3hwx h ALA 299 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hwx h ALA 299 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hwx h ALA 299 CO -0.01 0.00 -1.48 -1.13 0.00 0.00 0.00 179.25 176.63 3hwx n SER 300 N -3.03 2.63 -4.81 0.00 3.41 -1.01 -4.99 113.62 105.82 3hwx n SER 300 Ca -0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 3hwx n SER 300 Cb 0.25 1.45 0.05 0.00 -0.26 0.00 0.00 64.21 65.70 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 -3.12 1.51 -0.64 0.00 1.02 -1.26 -5.02 120.64 113.13 3hwx n GLU 302 Ca 0.08 -3.42 -0.29 0.00 -0.02 0.00 0.00 57.16 53.51 3hwx n GLU 302 Cb 0.53 -1.45 0.21 0.00 -0.02 0.00 0.00 31.44 30.71 3hwx n GLU 302 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hwx s PRO 303 N -3.46 -0.03 0.26 3.49 0.04 -1.26 -4.92 135.00 129.12 3hwx s PRO 303 Ca 0.28 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 3hwx s PRO 303 Cb 0.39 -1.64 0.35 0.00 0.04 0.00 0.00 34.50 33.65 3hwx s PRO 303 CO -0.00 -3.21 1.75 0.93 0.04 0.00 0.00 177.00 176.51 3hwx h GLU 304 N -2.27 0.73 -5.87 4.56 5.08 -1.01 -3.44 114.58 112.36 3hwx h GLU 304 Ca -0.53 -0.21 -0.51 0.00 -1.00 0.00 0.00 59.36 57.10 3hwx h GLU 304 Cb 1.30 -0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 3hwx h GLU 304 CO 0.47 0.78 -0.81 -1.21 -1.00 0.00 0.00 179.01 177.23 3hwx s GLU 305 N -4.90 1.06 -0.09 2.33 2.02 -0.80 -4.70 118.70 113.61 3hwx s GLU 305 Ca -0.09 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 53.88 3hwx s GLU 305 Cb 0.14 -1.22 0.01 0.00 0.10 0.00 0.00 34.13 33.17 3hwx s GLU 305 CO 0.81 0.29 -0.16 -0.47 0.02 0.00 0.00 175.26 175.74 3hwx s TYR 306 N -1.12 1.91 -0.16 1.61 6.14 -0.90 -2.01 117.35 122.82 3hwx s TYR 306 Ca 0.04 -0.82 0.00 0.00 0.64 0.00 0.00 57.07 56.93 3hwx s TYR 306 Cb -0.10 -1.36 0.00 0.00 0.42 0.00 0.00 41.96 40.92 3hwx s TYR 306 CO 0.03 -0.40 -0.16 -1.58 0.64 0.00 0.00 175.55 174.08 3hwx s TRP 307 N 0.78 2.78 -0.25 4.97 0.52 0.15 -1.45 118.94 126.44 3hwx s TRP 307 Ca -0.11 -1.14 -0.04 0.00 0.02 0.00 0.00 56.10 54.83 3hwx s TRP 307 Cb -0.16 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 3hwx s TRP 307 CO 0.02 -0.53 -0.01 0.42 0.02 0.00 0.00 176.95 176.86 3hwx s ILE 308 N 0.91 3.39 -0.32 2.03 1.01 -1.00 0.12 121.20 127.34 3hwx s ILE 308 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 3hwx s ILE 308 Cb -0.15 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.69 3hwx s ILE 308 CO -0.02 0.26 0.12 -0.69 0.00 0.00 0.00 174.94 174.61 3hwx s VAL 309 N 1.44 4.07 0.18 2.92 1.01 0.01 -1.07 120.40 128.95 3hwx s VAL 309 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3hwx s VAL 309 Cb -0.16 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.05 3hwx s VAL 309 CO -0.02 -0.06 0.43 -0.62 0.00 0.00 0.00 175.10 174.83 3hwx s ASP 310 N 1.49 -0.16 -0.12 3.32 -1.08 -0.83 -0.51 116.67 118.77 3hwx s ASP 310 Ca 0.01 -0.59 0.14 0.00 -0.52 0.00 0.00 52.55 51.59 3hwx s ASP 310 Cb -0.18 0.52 0.61 0.00 -1.46 0.00 0.00 42.92 42.41 3hwx s ASP 310 CO 0.04 -0.98 1.48 -0.67 0.52 0.00 0.00 175.17 175.55 3hwx n ASP 311 N -0.29 4.22 -4.82 -0.34 -0.08 -1.17 -2.14 116.55 111.93 3hwx n ASP 311 Ca -0.10 -2.48 -0.22 0.00 -1.51 0.00 0.00 54.79 50.48 3hwx n ASP 311 Cb 0.63 -0.56 -0.04 0.00 2.34 0.00 0.00 41.12 43.48 3hwx n ASP 311 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3hwx s ILE 312 N -1.98 4.38 0.35 5.18 2.07 -1.26 -4.84 121.20 125.10 3hwx s ILE 312 Ca 0.42 -1.42 -0.03 0.00 -1.41 0.00 0.00 60.65 58.21 3hwx s ILE 312 Cb 0.29 -3.37 -0.04 0.00 0.13 0.00 0.00 42.46 39.46 3hwx s ILE 312 CO 0.18 -0.35 0.61 -1.61 -1.91 0.00 0.00 174.94 171.86 3hwx s GLU 313 N -3.84 3.57 0.01 3.50 2.02 -1.26 -4.85 118.70 117.85 3hwx s GLU 313 Ca 0.33 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.27 3hwx s GLU 313 Cb -0.08 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.57 3hwx s GLU 313 CO 0.25 0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.04 3hwx n GLY 314 N -1.50 -3.96 3.77 -1.39 0.00 -1.26 -4.93 105.19 95.91 3hwx n GLY 314 Ca -0.02 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.93 4.00 0.00 1.61 0.52 -1.26 -4.96 118.95 117.93 3hwx s ARG 315 Ca 0.00 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.12 3hwx s ARG 315 Cb 0.00 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.80 3hwx s ARG 315 CO 0.00 -0.38 0.25 1.28 0.02 0.00 0.00 175.30 176.46 3hwx n LEU 316 N 0.04 0.43 -4.35 2.53 4.77 -1.26 -5.00 117.00 114.17 3hwx n LEU 316 Ca 0.04 -0.43 -0.46 0.00 -0.03 0.00 0.00 56.01 55.13 3hwx n LEU 316 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 3hwx n LEU 316 CO 0.52 0.11 0.38 -0.62 -1.33 0.00 0.00 177.39 176.44 3hwx s ASP 317 N -0.04 6.40 0.00 -1.43 2.15 -1.26 -4.92 116.67 117.57 3hwx s ASP 317 Ca 0.00 -1.99 0.10 0.00 0.43 0.00 0.00 52.55 51.10 3hwx s ASP 317 Cb 0.00 -2.25 0.61 0.00 -0.30 0.00 0.00 42.92 40.98 3hwx s ASP 317 CO 0.00 -0.86 1.04 -0.81 -0.17 0.00 0.00 175.17 174.36 3hwx n PRO 318 N 5.28 0.36 0.00 4.34 -0.05 -1.26 -1.04 135.00 142.64 3hwx n PRO 318 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.46 3hwx n PRO 318 Cb 0.44 -1.44 0.01 0.00 -0.05 0.00 0.00 33.50 32.46 3hwx n PRO 318 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3hwx n ALA 319 N -0.94 2.49 -3.96 0.55 0.00 -1.26 -5.03 120.51 112.36 3hwx n ALA 319 Ca 0.08 -0.49 -0.27 0.00 0.00 0.00 0.00 53.44 52.76 3hwx n ALA 319 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 0.10 -1.75 -0.84 0.00 -0.00 -0.20 -4.95 115.22 107.59 3hwx n HIS 320 Ca 0.02 0.78 -0.32 0.00 -0.00 0.00 0.00 57.72 58.20 3hwx n HIS 320 Cb 0.10 -3.71 0.14 0.00 -0.00 0.00 0.00 29.99 26.52 3hwx n HIS 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3hwx n HIS 321 N -4.41 0.36 -2.00 4.41 8.25 -1.26 -4.99 115.22 115.58 3hwx n HIS 321 Ca -0.22 0.36 -0.39 0.00 -0.26 0.00 0.00 57.72 57.22 3hwx n HIS 321 Cb 0.64 -1.97 0.01 0.00 1.12 0.00 0.00 29.99 29.79 3hwx n HIS 321 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hwx s ARG 322 N -4.19 3.65 0.00 -0.41 3.52 -1.26 -4.85 118.95 115.40 3hwx s ARG 322 Ca 0.66 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 3hwx s ARG 322 Cb -0.25 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 3hwx s ARG 322 CO 0.58 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 3hwx n GLY 323 N 0.62 0.35 3.03 8.12 0.00 -1.26 -2.12 105.19 113.93 3hwx n GLY 323 Ca 0.07 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 3hwx n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 324 N -2.00 0.49 -0.15 1.61 0.52 -0.53 -4.92 118.95 113.97 3hwx s ARG 324 Ca 0.00 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3hwx s ARG 324 Cb 0.00 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.19 3hwx s ARG 324 CO 0.00 0.05 -0.18 0.50 0.02 0.00 0.00 175.30 175.69 3hwx s ARG 325 N -1.27 3.13 -0.17 3.54 6.06 -1.26 -2.36 118.95 126.62 3hwx s ARG 325 Ca -0.08 -0.79 -0.01 0.00 -2.50 0.00 0.00 55.73 52.35 3hwx s ARG 325 Cb -0.08 -2.55 0.04 0.00 0.06 0.00 0.00 34.95 32.42 3hwx s ARG 325 CO 0.00 0.00 -0.04 -0.51 -2.50 0.00 0.00 175.30 172.26 3hwx s LEU 326 N 0.82 1.54 -0.28 -0.88 1.43 -0.24 -5.00 118.68 116.07 3hwx s LEU 326 Ca -0.06 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 3hwx s LEU 326 Cb -0.15 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3hwx s LEU 326 CO -0.01 -0.20 0.29 -0.63 0.23 0.00 0.00 176.35 176.03 3hwx s ILE 327 N 1.67 5.23 -0.25 -0.59 1.09 -1.26 -1.97 121.20 125.12 3hwx s ILE 327 Ca 0.00 0.32 -0.37 0.00 -1.10 0.00 0.00 60.65 59.51 3hwx s ILE 327 Cb -0.15 -3.65 0.15 0.00 -1.06 0.00 0.00 42.46 37.75 3hwx s ILE 327 CO -0.07 0.16 1.32 0.00 -0.10 0.00 0.00 174.94 176.24 3hwx s ALA 328 N 1.93 -2.15 -0.08 9.38 0.00 -0.91 -1.16 121.76 128.76 3hwx s ALA 328 Ca 0.11 1.81 -0.31 0.00 0.00 0.00 0.00 51.96 53.57 3hwx s ALA 328 Cb -0.16 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 3hwx s ALA 328 CO 0.11 -0.54 2.02 -1.71 0.00 0.00 0.00 175.76 175.64 3hwx n ASN 329 N 0.01 3.63 -0.28 0.00 2.85 -1.26 -3.06 115.26 117.16 3hwx n ASN 329 Ca 0.03 0.74 -0.08 0.00 -0.11 0.00 0.00 54.58 55.16 3hwx n ASN 329 Cb 0.57 -1.47 -0.04 0.00 1.24 0.00 0.00 39.78 40.08 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 6.02 0.04 -0.23 -1.44 2.04 -1.92 -0.16 117.51 121.85 3hwx h ILE 330 Ca -0.46 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.46 3hwx h ILE 330 Cb 1.26 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3hwx h ILE 330 CO 0.95 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 178.82 3hwx h ALA 331 N 0.65 -0.23 -0.90 1.87 0.00 -1.93 0.17 119.26 118.90 3hwx h ALA 331 Ca 0.19 0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.36 3hwx h ALA 331 Cb 0.54 0.58 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 3hwx h ALA 331 CO -0.79 -0.73 0.45 -0.44 0.00 0.00 0.00 179.25 177.75 3hwx h ASP 332 N -0.30 0.48 -0.15 0.00 3.32 -1.63 0.43 116.42 118.56 3hwx h ASP 332 Ca 0.13 0.13 -0.19 0.00 0.02 0.00 0.00 57.03 57.11 3hwx h ASP 332 Cb 0.51 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3hwx h ASP 332 CO -0.41 0.11 -0.62 -0.25 -1.72 0.00 0.00 179.24 176.35 3hwx h TRP 333 N 0.53 0.98 -0.75 4.55 7.01 0.66 0.50 115.95 129.43 3hwx h TRP 333 Ca 0.54 -0.38 0.12 0.00 2.11 0.00 0.00 58.89 61.28 3hwx h TRP 333 Cb 0.93 -0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.73 3hwx h TRP 333 CO -0.09 1.19 0.36 -0.07 -2.79 0.00 0.00 178.44 177.03 3hwx h LEU 334 N 0.57 0.43 -0.24 0.65 3.38 0.87 0.39 115.31 121.35 3hwx h LEU 334 Ca -0.01 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3hwx h LEU 334 Cb 1.22 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3hwx h LEU 334 CO 0.13 0.21 -0.13 -0.33 0.09 0.00 0.00 178.44 178.41 3hwx h GLU 335 N 0.56 0.51 0.00 1.13 5.08 -0.41 -2.83 114.58 118.63 3hwx h GLU 335 Ca 0.39 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3hwx h GLU 335 Cb 0.49 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hwx h GLU 335 CO -0.32 0.78 -0.11 1.25 -1.00 0.00 0.00 179.01 179.61 3hwx h LEU 336 N 0.23 0.00 -6.95 1.33 5.85 -0.72 -3.34 115.31 111.70 3hwx h LEU 336 Ca 0.05 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.16 3hwx h LEU 336 Cb 0.64 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.26 3hwx h LEU 336 CO 0.04 0.11 -0.64 -1.00 -0.34 0.00 0.00 178.44 176.60 3hwx s HIS 337 N -4.79 3.13 0.46 1.25 3.76 0.14 -4.96 115.29 114.27 3hwx s HIS 337 Ca -0.04 -3.16 -0.23 0.00 -0.15 0.00 0.00 55.06 51.48 3hwx s HIS 337 Cb 0.16 -2.38 -0.08 0.00 1.11 0.00 0.00 32.58 31.39 3hwx s HIS 337 CO 0.68 -0.59 1.13 -1.25 -0.85 0.00 0.00 174.74 173.86 3hwx s PRO 338 N -1.19 3.81 0.48 8.40 0.04 -1.13 -4.62 135.00 140.79 3hwx s PRO 338 Ca 0.26 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 3hwx s PRO 338 Cb -0.03 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 3hwx s PRO 338 CO -0.17 -0.48 1.10 0.00 0.04 0.00 0.00 177.00 177.48 3hwx s ALA 339 N -1.61 2.89 -0.05 8.56 0.00 -1.26 -5.03 121.76 125.26 3hwx s ALA 339 Ca 0.63 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 3hwx s ALA 339 Cb -0.26 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3hwx s ALA 339 CO 0.32 -0.50 0.12 -2.00 0.00 0.00 0.00 175.76 173.70 3hwx s GLU 340 N -2.97 3.28 -0.16 0.00 2.56 -1.26 -4.98 118.70 115.17 3hwx s GLU 340 Ca 0.66 -0.32 -0.29 0.00 0.00 0.00 0.00 54.97 55.01 3hwx s GLU 340 Cb -0.22 -3.02 -0.01 0.00 2.00 0.00 0.00 34.13 32.87 3hwx s GLU 340 CO 0.27 0.70 1.17 0.15 -0.56 0.00 0.00 175.26 176.99 3hwx s LYS 341 N -1.51 4.28 0.08 4.30 1.02 -1.26 -3.79 119.74 122.85 3hwx s LYS 341 Ca 0.21 1.57 -0.00 0.00 0.02 0.00 0.00 55.97 57.77 3hwx s LYS 341 Cb -0.12 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3hwx s LYS 341 CO 0.11 -0.61 -0.03 0.50 -0.92 0.00 0.00 175.35 174.40 3hwx s ARG 342 N 3.07 0.72 0.15 1.68 3.52 -1.00 -5.02 118.95 122.07 3hwx s ARG 342 Ca 0.52 -1.29 -0.31 0.00 -0.13 0.00 0.00 55.73 54.52 3hwx s ARG 342 Cb -0.20 0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.15 3hwx s ARG 342 CO 0.14 -0.09 1.49 -1.14 -0.81 0.00 0.00 175.30 174.89 3hwx s GLN 343 N -3.90 4.26 -0.13 5.12 2.00 -1.26 -3.69 119.66 122.06 3hwx s GLN 343 Ca 0.10 2.24 -0.40 0.00 -2.00 0.00 0.00 55.36 55.30 3hwx s GLN 343 Cb 0.07 -3.19 -0.18 0.00 0.80 0.00 0.00 33.01 30.51 3hwx s GLN 343 CO -0.07 -0.53 1.43 -2.30 -0.50 0.00 0.00 175.29 173.32 3hwx n PRO 344 N 3.91 0.66 0.07 1.67 -0.02 -1.26 -4.70 135.00 135.33 3hwx n PRO 344 Ca 0.13 0.24 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 3hwx n PRO 344 Cb 0.40 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 3hwx n PRO 344 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3hwx n TRP 345 N 3.27 0.74 -2.97 6.00 4.27 -1.23 -4.93 117.44 122.59 3hwx n TRP 345 Ca 0.23 0.22 -0.42 0.00 -3.89 0.00 0.00 57.50 53.64 3hwx n TRP 345 Cb 0.10 -0.87 -0.05 0.00 -1.36 0.00 0.00 31.31 29.13 3hwx n TRP 345 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hwx n VAL 347 N 5.41 1.64 -0.02 0.00 0.31 -1.26 -4.71 118.33 119.70 3hwx n VAL 347 Ca 0.03 -0.53 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 3hwx n VAL 347 Cb 0.48 -1.68 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 3hwx n VAL 347 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hwx h GLU 348 N -0.17 0.17 -0.44 5.55 5.08 -1.95 -3.38 114.58 119.44 3hwx h GLU 348 Ca -0.49 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 57.69 3hwx h GLU 348 Cb 1.87 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 31.15 3hwx h GLU 348 CO -0.05 1.04 0.15 0.82 -1.00 0.00 0.00 179.01 179.96 3hwx h ILE 349 N -0.58 0.85 -0.06 3.13 2.04 -1.91 -1.24 117.51 119.73 3hwx h ILE 349 Ca -0.05 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3hwx h ILE 349 Cb 1.19 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3hwx h ILE 349 CO 0.07 0.06 0.08 -0.65 0.00 0.00 0.00 178.15 177.70 3hwx h PRO 350 N 0.31 0.00 0.06 2.37 0.11 -1.84 0.34 132.00 133.35 3hwx h PRO 350 Ca 0.21 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.10 3hwx h PRO 350 Cb 0.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.34 3hwx h PRO 350 CO -0.22 0.00 -0.89 -0.09 -0.21 0.00 0.00 178.00 176.59 3hwx h ARG 351 N 0.00 0.50 -0.39 1.05 2.43 -1.41 -3.09 114.38 113.47 3hwx h ARG 351 Ca 0.03 -0.62 -0.15 0.00 -0.81 0.00 0.00 59.98 58.43 3hwx h ARG 351 Cb 0.18 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3hwx h ARG 351 CO -0.00 1.24 -0.36 -0.07 -1.51 0.00 0.00 179.97 179.28 3hwx h LEU 352 N 0.03 0.98 -0.21 3.80 3.38 -1.09 -2.14 115.31 120.06 3hwx h LEU 352 Ca -0.13 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.46 3hwx h LEU 352 Cb 1.61 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 3hwx h LEU 352 CO 0.17 1.23 -0.14 0.00 0.09 0.00 0.00 178.44 179.80 3hwx h ALA 353 N 0.82 0.02 0.00 1.53 0.00 -0.45 1.22 119.26 122.40 3hwx h ALA 353 Ca 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hwx h ALA 353 Cb 0.94 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hwx h ALA 353 CO 0.09 -0.56 -0.20 1.49 0.00 0.00 0.00 179.25 180.07 3hwx h GLU 354 N -0.13 0.00 0.04 0.00 4.81 -1.45 -1.70 114.58 116.15 3hwx h GLU 354 Ca 0.12 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.12 3hwx h GLU 354 Cb 0.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3hwx h GLU 354 CO -0.29 0.20 -1.01 1.96 -0.73 0.00 0.00 179.01 179.14 3hwx h GLN 355 N 0.00 0.30 0.68 1.92 4.20 -0.40 -1.55 115.11 120.25 3hwx h GLN 355 Ca -0.00 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.30 3hwx h GLN 355 Cb 0.53 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.44 3hwx h GLN 355 CO 0.03 1.09 -0.33 0.00 -0.67 0.00 0.00 178.83 178.95 3hwx h ALA 356 N 0.76 -0.92 -0.78 3.87 0.00 0.18 -2.89 119.26 119.48 3hwx h ALA 356 Ca -0.08 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hwx h ALA 356 Cb 1.68 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 3hwx h ALA 356 CO 0.17 -1.02 0.44 1.98 0.00 0.00 0.00 179.25 180.82 3hwx h MET 357 N -0.92 0.72 -0.89 0.00 1.85 -1.33 0.81 114.93 115.18 3hwx h MET 357 Ca -0.09 -0.04 0.10 0.00 -0.61 0.00 0.00 59.70 59.05 3hwx h MET 357 Cb 0.70 -0.16 -0.07 0.00 0.43 0.00 0.00 31.60 32.50 3hwx h MET 357 CO 0.15 0.48 0.58 1.96 -0.40 0.00 0.00 176.91 179.68 3hwx h GLN 358 N 0.75 0.85 -0.07 0.39 4.20 -1.29 0.09 115.11 120.03 3hwx h GLN 358 Ca 0.38 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.88 3hwx h GLN 358 Cb 0.34 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hwx h GLN 358 CO -0.24 0.56 -0.62 0.00 -0.67 0.00 0.00 178.83 177.86 3hwx h ALA 359 N 1.56 0.82 0.00 3.87 0.00 -0.63 -0.86 119.26 124.02 3hwx h ALA 359 Ca 0.42 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hwx h ALA 359 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hwx h ALA 359 CO -0.18 0.74 -0.00 0.28 0.00 0.00 0.00 179.25 180.09 3hwx h VAL 360 N 0.18 1.39 -0.98 0.00 2.07 -0.97 -3.12 116.25 114.82 3hwx h VAL 360 Ca -0.01 -1.15 0.21 0.00 0.82 0.00 0.00 66.70 66.58 3hwx h VAL 360 Cb 1.14 2.17 -0.09 0.00 -1.52 0.00 0.00 31.29 32.98 3hwx h VAL 360 CO 0.10 0.30 0.62 0.40 0.02 0.00 0.00 177.57 179.01 3hwx h ILE 361 N -0.49 0.65 -0.41 4.57 2.04 -0.67 0.17 117.51 123.37 3hwx h ILE 361 Ca -0.00 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 65.79 3hwx h ILE 361 Cb 0.49 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3hwx h ILE 361 CO 0.00 0.10 0.46 0.00 0.00 0.00 0.00 178.15 178.72 3hwx h ALA 362 N 1.63 2.10 -0.11 1.87 0.00 -1.09 -2.10 119.26 121.56 3hwx h ALA 362 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3hwx h ALA 362 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hwx h ALA 362 CO -0.30 -0.68 0.00 0.54 0.00 0.00 0.00 179.25 178.82 3hwx n ARG 363 N -3.65 2.51 0.25 0.00 1.74 0.58 -4.71 116.66 113.37 3hwx n ARG 363 Ca 0.07 -2.09 0.17 0.00 -0.77 0.00 0.00 57.85 55.23 3hwx n ARG 363 Cb 0.64 -1.31 0.79 0.00 -1.02 0.00 0.00 32.46 31.56 3hwx n ARG 363 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3hwx h ARG 364 N 0.67 0.00 0.01 5.56 0.11 -1.24 -3.36 114.38 116.14 3hwx h ARG 364 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3hwx h ARG 364 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 3hwx h ARG 364 CO 0.03 0.00 -0.16 -0.44 0.10 0.00 0.00 179.97 179.51 3hwx h ASP 365 N 0.00 0.11 -2.11 0.08 3.32 -1.84 -3.47 116.42 112.52 3hwx h ASP 365 Ca 0.00 -0.87 -0.62 0.00 0.02 0.00 0.00 57.03 55.57 3hwx h ASP 365 Cb 0.24 -0.04 0.13 0.00 0.22 0.00 0.00 39.33 39.89 3hwx h ASP 365 CO 0.00 0.97 -0.36 0.00 -1.72 0.00 0.00 179.24 178.13 3hwx n ALA 366 N -2.56 -1.58 -1.71 3.45 0.00 -1.26 -4.87 120.51 111.99 3hwx n ALA 366 Ca -0.10 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3hwx n ALA 366 Cb 0.49 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 3hwx n ALA 366 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hwx n PHE 367 N -0.52 2.86 -3.88 0.00 7.35 -1.26 -4.73 117.46 117.28 3hwx n PHE 367 Ca 0.12 -2.97 0.00 0.00 -0.76 0.00 0.00 57.45 53.84 3hwx n PHE 367 Cb 0.36 -2.32 0.00 0.00 0.35 0.00 0.00 39.48 37.87 3hwx n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hwx n GLY 368 N 3.30 4.52 0.11 7.13 0.00 -1.26 -4.91 105.19 114.08 3hwx n GLY 368 Ca 0.62 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 3hwx n GLY 368 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hwx h GLU 369 N 0.00 0.27 -0.90 1.61 4.11 -1.93 -2.50 114.58 115.24 3hwx h GLU 369 Ca 0.00 -0.47 0.12 0.00 0.07 0.00 0.00 59.36 59.09 3hwx h GLU 369 Cb 0.00 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3hwx h GLU 369 CO 0.00 1.18 0.58 0.00 0.07 0.00 0.00 179.01 180.84 3hwx h ALA 370 N 0.53 1.71 0.10 1.06 0.00 -1.89 0.15 119.26 120.93 3hwx h ALA 370 Ca -0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 370 Cb 2.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3hwx h ALA 370 CO 0.19 0.06 -0.05 1.96 0.00 0.00 0.00 179.25 181.41 3hwx h GLN 371 N 0.80 -0.13 -0.56 0.00 7.50 -1.83 -1.96 115.11 118.93 3hwx h GLN 371 Ca 0.44 0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.71 3hwx h GLN 371 Cb 0.57 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 28.02 3hwx h GLN 371 CO -0.20 0.33 -0.17 1.25 -1.50 0.00 0.00 178.83 178.54 3hwx h LEU 372 N -0.67 -0.61 -0.58 1.46 5.85 -1.17 0.27 115.31 119.85 3hwx h LEU 372 Ca -0.01 0.18 0.11 0.00 0.84 0.00 0.00 57.88 59.00 3hwx h LEU 372 Cb 0.53 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 41.84 3hwx h LEU 372 CO 0.02 -0.21 0.08 0.00 -0.34 0.00 0.00 178.44 177.99 3hwx h ALA 373 N 1.48 0.64 0.21 1.25 0.00 -0.67 -1.13 119.26 121.05 3hwx h ALA 373 Ca 0.27 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3hwx h ALA 373 Cb 0.44 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hwx h ALA 373 CO -0.59 -0.34 -0.10 1.25 0.00 0.00 0.00 179.25 179.47 3hwx h HIS 374 N 0.20 -0.26 0.00 0.00 -0.00 -0.07 -3.30 115.15 111.71 3hwx h HIS 374 Ca 0.30 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.54 3hwx h HIS 374 Cb 0.47 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 3hwx h HIS 374 CO -0.28 -0.11 -0.61 0.00 -0.00 0.00 0.00 177.93 176.93 3hwx h ARG 375 N -0.35 0.00 -0.20 5.26 2.47 -0.05 -3.39 114.38 118.12 3hwx h ARG 375 Ca -0.03 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3hwx h ARG 375 Cb 0.27 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 3hwx h ARG 375 CO 0.05 0.61 0.02 1.51 0.56 0.00 0.00 179.97 182.71 3hwx n ILE 376 N -3.57 -0.09 0.33 2.04 0.13 -0.48 0.12 119.36 117.84 3hwx n ILE 376 Ca -0.00 0.45 0.21 0.00 -1.10 0.00 0.00 62.75 62.30 3hwx n ILE 376 Cb 0.66 -0.66 1.15 0.00 -0.84 0.00 0.00 39.64 39.95 3hwx n ILE 376 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hwx n ASP 378 N -3.27 0.72 -0.30 0.00 8.00 0.32 -3.88 116.55 118.15 3hwx n ASP 378 Ca -0.03 0.61 0.04 0.00 0.71 0.00 0.00 54.79 56.12 3hwx n ASP 378 Cb 0.08 -0.79 0.02 0.00 -0.02 0.00 0.00 41.12 40.41 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 -2.22 0.00 -1.65 1.24 4.01 0.16 -5.04 117.16 113.66 3hwx n TYR 379 Ca 0.04 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.33 3hwx n TYR 379 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.35 3hwx n TYR 379 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hwx n LEU 380 N 0.22 2.79 -4.77 7.72 4.77 -1.03 -4.92 117.00 121.79 3hwx n LEU 380 Ca 0.05 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 56.78 3hwx n LEU 380 Cb 0.21 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 39.88 3hwx n LEU 380 CO 0.08 -0.70 0.89 -2.16 -1.33 0.00 0.00 177.39 174.16 3hwx s PRO 381 N -0.71 4.44 0.27 3.23 0.04 -1.26 -4.95 135.00 136.06 3hwx s PRO 381 Ca 0.66 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 63.41 3hwx s PRO 381 Cb -0.68 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 30.66 3hwx s PRO 381 CO 0.53 -0.04 1.55 0.39 0.04 0.00 0.00 177.00 179.47 3hwx n GLU 382 N 0.88 2.50 -2.45 4.56 -0.58 -1.26 -2.07 120.64 122.23 3hwx n GLU 382 Ca -0.00 0.89 -0.07 0.00 -0.42 0.00 0.00 57.16 57.56 3hwx n GLU 382 Cb 0.43 -2.64 -0.00 0.00 -0.57 0.00 0.00 31.44 28.66 3hwx n GLU 382 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hwx n GLN 383 N 2.26 -2.54 0.00 3.49 1.13 -1.26 -4.85 117.38 115.61 3hwx n GLN 383 Ca 0.10 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 3hwx n GLN 383 Cb 0.35 -4.90 0.00 0.00 0.11 0.00 0.00 30.24 25.80 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 -0.67 4.26 3.09 1.08 0.00 -0.88 -4.70 105.19 107.38 3hwx n GLY 384 Ca -0.08 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 3hwx n GLY 384 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hwx s GLN 385 N 2.52 0.55 -0.20 1.61 -0.21 -0.26 -4.41 119.66 119.26 3hwx s GLN 385 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 55.36 54.56 3hwx s GLN 385 Cb 0.00 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.22 3hwx s GLN 385 CO 0.00 -0.13 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.77 3hwx s LEU 386 N -2.14 2.62 -0.30 2.90 2.96 -0.77 -1.42 118.68 122.53 3hwx s LEU 386 Ca -0.05 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.30 3hwx s LEU 386 Cb -0.01 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3hwx s LEU 386 CO -0.05 -0.01 0.12 0.12 -1.32 0.00 0.00 176.35 175.22 3hwx s PHE 387 N 1.37 3.16 -0.25 5.38 5.36 0.90 0.27 117.98 134.17 3hwx s PHE 387 Ca 0.05 -0.71 -0.08 0.00 -0.96 0.00 0.00 56.93 55.23 3hwx s PHE 387 Cb -0.14 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 3hwx s PHE 387 CO -0.06 -0.49 0.08 0.54 -1.46 0.00 0.00 175.22 173.82 3hwx s VAL 388 N 1.57 4.37 1.20 3.12 0.11 -0.20 -0.90 120.40 129.67 3hwx s VAL 388 Ca 0.04 -0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.73 3hwx s VAL 388 Cb -0.17 -3.05 0.31 0.00 -1.53 0.00 0.00 36.38 31.94 3hwx s VAL 388 CO 0.05 0.33 0.86 0.61 -3.33 0.00 0.00 175.10 173.62 3hwx n GLY 389 N 4.93 -3.36 0.00 6.54 0.00 0.22 -4.55 105.19 108.97 3hwx n GLY 389 Ca -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -5.10 0.00 0.00 1.61 3.02 -1.26 -3.66 115.26 109.87 3hwx n ASN 390 Ca 0.13 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3hwx n ASN 390 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 3hwx n ASN 390 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3hwx n SER 391 N -1.64 0.00 -0.05 6.41 2.88 -1.26 -3.40 113.62 116.56 3hwx n SER 391 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3hwx n SER 391 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.24 -0.90 2.46 3.38 -1.96 -3.15 115.31 115.38 3hwx h LEU 392 Ca 0.00 -0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.17 3hwx h LEU 392 Cb 0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.57 3hwx h LEU 392 CO 0.00 0.19 0.41 1.62 0.09 0.00 0.00 178.44 180.74 3hwx h VAL 393 N 0.28 0.50 -0.39 1.22 3.04 -1.85 0.31 116.25 119.36 3hwx h VAL 393 Ca 0.08 -0.15 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 3hwx h VAL 393 Cb -0.02 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.28 3hwx h VAL 393 CO -0.02 0.08 -0.13 1.62 -1.01 0.00 0.00 177.57 178.11 3hwx h VAL 394 N 0.43 1.25 0.22 1.51 3.04 -1.61 -1.64 116.25 119.44 3hwx h VAL 394 Ca 0.55 -1.15 -0.34 0.00 -1.01 0.00 0.00 66.70 64.75 3hwx h VAL 394 Cb 1.03 1.10 0.02 0.00 -2.01 0.00 0.00 31.29 31.44 3hwx h VAL 394 CO -0.51 0.39 -1.56 0.03 -1.01 0.00 0.00 177.57 174.91 3hwx h ARG 395 N 0.63 0.46 0.27 4.17 3.08 -0.93 -1.17 114.38 120.90 3hwx h ARG 395 Ca 0.11 -0.79 -0.01 0.00 0.07 0.00 0.00 59.98 59.36 3hwx h ARG 395 Cb 0.58 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3hwx h ARG 395 CO 0.04 1.37 -0.13 -0.07 -1.07 0.00 0.00 179.97 180.11 3hwx h LEU 396 N 0.13 -0.31 -0.70 3.04 3.38 -0.49 0.35 115.31 120.71 3hwx h LEU 396 Ca -0.28 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.63 3hwx h LEU 396 Cb 2.13 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.89 3hwx h LEU 396 CO 0.23 -0.02 0.36 0.40 0.09 0.00 0.00 178.44 179.50 3hwx h ILE 397 N -0.61 0.89 -0.36 1.22 2.04 -1.40 1.14 117.51 120.43 3hwx h ILE 397 Ca -0.04 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.68 3hwx h ILE 397 Cb 0.44 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 3hwx h ILE 397 CO 0.06 0.11 -0.04 -0.78 0.00 0.00 0.00 178.15 177.51 3hwx h ASP 398 N 0.63 -0.23 0.09 1.72 3.58 -1.16 -1.42 116.42 119.62 3hwx h ASP 398 Ca 0.33 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.87 3hwx h ASP 398 Cb 0.31 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.54 3hwx h ASP 398 CO -0.24 -0.08 -0.04 0.00 -2.88 0.00 0.00 179.24 176.00 3hwx h ALA 399 N 1.34 -0.11 -0.00 -0.78 0.00 -0.07 -3.39 119.26 116.24 3hwx h ALA 399 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hwx h ALA 399 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hwx h ALA 399 CO -0.33 -0.21 -0.71 1.28 0.00 0.00 0.00 179.25 179.28 3hwx n LEU 400 N -4.83 0.99 -4.42 0.00 4.77 0.38 -3.77 117.00 110.12 3hwx n LEU 400 Ca -0.08 -0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 3hwx n LEU 400 Cb 0.29 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3hwx n LEU 400 CO 0.27 0.22 -0.49 -0.55 -1.33 0.00 0.00 177.39 175.52 3hwx s SER 401 N -2.88 3.25 -0.29 -1.43 0.15 -0.53 -4.49 113.70 107.47 3hwx s SER 401 Ca 0.12 -0.95 0.02 0.00 0.70 0.00 0.00 55.95 55.84 3hwx s SER 401 Cb 0.17 -0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.32 3hwx s SER 401 CO 0.75 0.02 -0.00 -1.58 1.20 0.00 0.00 173.24 173.63 3hwx s GLN 402 N -3.15 1.51 0.22 5.44 0.74 -1.26 -4.53 119.66 118.62 3hwx s GLN 402 Ca 0.24 -1.35 -0.07 0.00 0.05 0.00 0.00 55.36 54.22 3hwx s GLN 402 Cb -0.05 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.26 3hwx s GLN 402 CO 0.11 -0.78 0.51 -0.51 -0.55 0.00 0.00 175.29 174.07 3hwx s LEU 403 N 1.23 4.17 0.84 3.68 1.43 -1.26 -4.85 118.68 123.91 3hwx s LEU 403 Ca 0.02 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3hwx s LEU 403 Cb -0.19 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.57 3hwx s LEU 403 CO -0.10 -0.07 1.09 -2.84 0.23 0.00 0.00 176.35 174.66 3hwx s PRO 404 N -2.95 1.72 0.30 1.29 0.02 -1.26 -3.77 135.00 130.36 3hwx s PRO 404 Ca 0.45 0.95 -0.29 0.00 0.02 0.00 0.00 61.00 62.13 3hwx s PRO 404 Cb -0.11 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 3hwx s PRO 404 CO 0.24 -1.95 1.50 0.00 -0.33 0.00 0.00 177.00 176.45 3hwx s ALA 405 N -2.94 3.65 -1.73 -1.55 0.00 -1.26 -3.47 121.76 114.47 3hwx s ALA 405 Ca 0.62 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3hwx s ALA 405 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3hwx s ALA 405 CO 0.56 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3hwx n GLY 406 N 1.71 1.33 3.67 0.00 0.00 -0.34 -4.92 105.19 106.64 3hwx n GLY 406 Ca 0.05 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.66 3.41 0.04 1.61 6.14 -1.23 -4.79 117.35 119.87 3hwx s TYR 407 Ca 0.00 0.99 -0.31 0.00 0.64 0.00 0.00 57.07 58.39 3hwx s TYR 407 Cb 0.00 -2.80 -0.07 0.00 0.42 0.00 0.00 41.96 39.51 3hwx s TYR 407 CO 0.00 -0.13 1.52 -2.14 0.64 0.00 0.00 175.55 175.44 3hwx s PRO 408 N 1.72 4.25 -0.15 4.97 0.02 -1.26 -4.82 135.00 139.73 3hwx s PRO 408 Ca 0.30 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.49 3hwx s PRO 408 Cb -0.16 -3.54 0.01 0.00 0.02 0.00 0.00 34.50 30.83 3hwx s PRO 408 CO 0.11 -0.63 -0.20 0.08 -0.33 0.00 0.00 177.00 176.02 3hwx s VAL 409 N 2.36 2.19 0.13 3.83 1.01 -1.26 -1.86 120.40 126.80 3hwx s VAL 409 Ca 0.68 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3hwx s VAL 409 Cb -0.36 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3hwx s VAL 409 CO 0.29 0.54 -0.14 -0.31 0.00 0.00 0.00 175.10 175.49 3hwx s TYR 410 N 0.84 2.61 -0.05 5.22 2.02 0.14 -4.98 117.35 123.14 3hwx s TYR 410 Ca -0.06 -0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 3hwx s TYR 410 Cb -0.15 -1.35 0.12 0.00 -0.40 0.00 0.00 41.96 40.18 3hwx s TYR 410 CO -0.02 0.43 1.26 -1.54 -1.57 0.00 0.00 175.55 174.11 3hwx s SER 411 N -2.35 -0.08 -0.81 2.29 1.04 -1.26 -1.03 113.70 111.50 3hwx s SER 411 Ca 0.21 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3hwx s SER 411 Cb -0.10 0.17 0.28 0.00 0.10 0.00 0.00 66.02 66.46 3hwx s SER 411 CO 0.12 -0.30 1.07 0.59 0.98 0.00 0.00 173.24 175.70 3hwx n ASN 412 N -0.40 4.91 -1.61 7.02 3.02 -1.26 -4.89 115.26 122.06 3hwx n ASN 412 Ca -0.06 -3.46 0.09 0.00 -0.03 0.00 0.00 54.58 51.12 3hwx n ASN 412 Cb 0.62 -0.90 0.36 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.91 3.83 0.00 3.52 5.12 -1.26 -3.20 116.66 125.57 3hwx n ARG 413 Ca 0.29 -2.92 0.00 0.00 -1.93 0.00 0.00 57.85 53.29 3hwx n ARG 413 Cb 0.37 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 3hwx n ARG 413 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwx n GLY 414 N 1.09 -1.68 0.12 -0.13 0.00 -1.26 -4.32 105.19 99.01 3hwx n GLY 414 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 3hwx n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx n ALA 415 N -1.34 3.82 -2.02 4.61 0.00 -1.26 -4.98 120.51 119.34 3hwx n ALA 415 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.79 3hwx n ALA 415 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3hwx n ALA 415 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwx n SER 416 N -1.11 -5.05 -4.75 0.00 7.64 -1.19 -4.95 113.62 104.20 3hwx n SER 416 Ca 0.07 0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 3hwx n SER 416 Cb 0.36 -4.12 -0.02 0.00 -1.01 0.00 0.00 64.21 59.42 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 -2.44 2.48 -0.09 0.23 0.00 -1.26 -4.86 107.32 101.37 3hwx s GLY 417 Ca 0.00 1.35 0.09 0.00 0.00 0.00 0.00 44.72 46.16 3hwx s GLY 417 CO 0.00 2.23 1.19 0.29 0.00 0.00 0.00 173.10 176.81 3hwx n ILE 418 N 1.91 1.17 0.87 0.90 -5.35 -1.26 -4.46 119.36 113.13 3hwx n ILE 418 Ca 0.05 -0.67 0.13 0.00 -0.27 0.00 0.00 62.75 62.00 3hwx n ILE 418 Cb 0.40 -0.19 0.44 0.00 -1.74 0.00 0.00 39.64 38.55 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 0.42 0.37 -2.10 7.28 5.75 -1.26 -4.53 116.55 122.47 3hwx n ASP 419 Ca 0.14 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 3hwx n ASP 419 Cb 0.62 -0.32 0.03 0.00 -1.03 0.00 0.00 41.12 40.43 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 1.44 1.37 0.07 6.12 0.00 -1.26 -4.64 105.19 108.29 3hwx n GLY 420 Ca 0.06 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 1.51 -0.02 0.92 0.99 3.38 -1.86 -0.63 115.31 119.59 3hwx h LEU 421 Ca -0.26 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 56.93 3hwx h LEU 421 Cb 1.53 0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.29 3hwx h LEU 421 CO 0.05 0.81 -0.46 -0.07 0.09 0.00 0.00 178.44 178.86 3hwx h LEU 422 N -0.93 -1.12 -1.41 1.67 3.38 -1.89 -1.43 115.31 113.58 3hwx h LEU 422 Ca -0.00 0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.26 3hwx h LEU 422 Cb 0.76 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 3hwx h LEU 422 CO 0.00 -0.77 0.66 0.77 0.09 0.00 0.00 178.44 179.19 3hwx h SER 423 N -1.26 0.43 -0.51 -0.43 4.64 -1.85 0.41 113.55 114.99 3hwx h SER 423 Ca -0.13 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3hwx h SER 423 Cb 0.98 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3hwx h SER 423 CO 0.19 0.11 0.06 0.74 -0.87 0.00 0.00 176.83 177.06 3hwx h THR 424 N 0.40 1.25 -0.31 2.95 2.02 -0.82 -3.11 112.91 115.28 3hwx h THR 424 Ca 0.56 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 3hwx h THR 424 Cb 1.43 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3hwx h THR 424 CO -0.26 0.36 -0.12 0.00 0.37 0.00 0.00 175.52 175.88 3hwx h ALA 425 N 1.20 0.43 -0.32 6.16 0.00 0.90 0.25 119.26 127.89 3hwx h ALA 425 Ca 0.17 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hwx h ALA 425 Cb 0.43 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3hwx h ALA 425 CO 0.01 0.30 -0.23 0.00 0.00 0.00 0.00 179.25 179.34 3hwx h ALA 426 N 0.78 -0.04 -0.49 0.00 0.00 -1.36 0.49 119.26 118.64 3hwx h ALA 426 Ca 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hwx h ALA 426 Cb 0.63 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3hwx h ALA 426 CO 0.04 -0.63 0.17 0.78 0.00 0.00 0.00 179.25 179.62 3hwx h GLY 427 N -0.19 0.80 0.67 0.00 0.00 -1.38 0.17 103.07 103.14 3hwx h GLY 427 Ca 0.16 -0.46 0.09 0.00 0.00 0.00 0.00 47.33 47.13 3hwx h GLY 427 CO -0.43 0.43 0.62 -2.08 0.00 0.00 0.00 176.54 175.07 3hwx h VAL 428 N 0.65 1.00 0.01 4.60 2.07 0.70 -1.43 116.25 123.85 3hwx h VAL 428 Ca 0.16 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hwx h VAL 428 Cb 0.23 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3hwx h VAL 428 CO -0.01 0.19 -0.00 0.06 0.02 0.00 0.00 177.57 177.82 3hwx h GLN 429 N 1.02 -0.01 -1.16 1.57 -0.00 0.14 -3.27 115.11 113.41 3hwx h GLN 429 Ca 0.44 0.00 0.34 0.00 -0.00 0.00 0.00 58.65 59.43 3hwx h GLN 429 Cb 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.71 3hwx h GLN 429 CO -0.20 0.82 0.75 0.00 -0.00 0.00 0.00 178.83 180.21 3hwx h ARG 430 N -0.88 0.24 -0.63 0.06 3.08 -0.64 0.11 114.38 115.71 3hwx h ARG 430 Ca -0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3hwx h ARG 430 Cb 0.84 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3hwx h ARG 430 CO 0.00 0.16 0.25 0.00 -1.07 0.00 0.00 179.97 179.31 3hwx h ALA 431 N 1.60 1.25 0.00 0.04 0.00 -1.31 -3.32 119.26 117.53 3hwx h ALA 431 Ca 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 3hwx h ALA 431 Cb 1.98 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hwx h ALA 431 CO -0.33 0.55 -1.20 -1.13 0.00 0.00 0.00 179.25 177.14 3hwx n SER 432 N -4.31 4.14 0.00 0.00 3.41 -0.96 -4.79 113.62 111.10 3hwx n SER 432 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3hwx n SER 432 Cb 0.17 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 3hwx n SER 432 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hwx n GLY 433 N 2.49 0.50 3.88 5.00 0.00 0.33 -5.03 105.19 112.37 3hwx n GLY 433 Ca -0.03 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.30 3.67 0.28 1.61 1.02 -1.25 -4.63 119.74 118.14 3hwx s LYS 434 Ca 0.00 0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 3hwx s LYS 434 Cb 0.00 -2.97 -0.13 0.00 -0.52 0.00 0.00 37.83 34.22 3hwx s LYS 434 CO 0.00 0.55 1.43 -2.30 -0.92 0.00 0.00 175.35 174.10 3hwx n PRO 435 N 0.68 2.24 -4.06 -1.68 -0.02 -1.26 -4.78 135.00 126.13 3hwx n PRO 435 Ca -0.07 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.06 3hwx n PRO 435 Cb 0.52 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.36 0.28 -0.33 3.45 2.01 0.64 -1.10 115.64 120.22 3hwx s THR 436 Ca 0.63 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.47 3hwx s THR 436 Cb -0.58 -0.24 0.08 0.00 0.01 0.00 0.00 72.50 71.77 3hwx s THR 436 CO 0.53 0.07 0.04 -0.22 -0.69 0.00 0.00 174.62 174.36 3hwx s LEU 437 N -0.11 4.42 -0.16 4.42 2.96 -0.50 0.25 118.68 129.95 3hwx s LEU 437 Ca 0.01 -1.76 -0.04 0.00 -0.22 0.00 0.00 54.13 52.12 3hwx s LEU 437 Cb -0.01 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3hwx s LEU 437 CO -0.00 -0.35 -0.02 0.00 -1.32 0.00 0.00 176.35 174.66 3hwx s ALA 438 N 1.09 3.06 -0.03 5.97 0.00 -0.43 -0.07 121.76 131.35 3hwx s ALA 438 Ca 0.02 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3hwx s ALA 438 Cb -0.20 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 3hwx s ALA 438 CO -0.05 0.17 -0.24 0.42 0.00 0.00 0.00 175.76 176.07 3hwx s ILE 439 N 0.43 2.25 -0.28 0.00 1.01 -0.08 -0.57 121.20 123.96 3hwx s ILE 439 Ca -0.02 -1.03 -0.22 0.00 0.00 0.00 0.00 60.65 59.38 3hwx s ILE 439 Cb -0.14 -1.80 0.09 0.00 0.01 0.00 0.00 42.46 40.62 3hwx s ILE 439 CO 0.02 0.58 0.77 -0.69 0.00 0.00 0.00 174.94 175.63 3hwx s VAL 440 N -0.60 0.00 0.57 2.92 1.01 -0.88 0.71 120.40 124.13 3hwx s VAL 440 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3hwx s VAL 440 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3hwx s VAL 440 CO -0.00 0.00 0.95 -0.83 0.00 0.00 0.00 175.10 175.22 3hwx s GLY 441 N 0.81 1.62 0.14 4.51 0.00 -1.26 -1.17 107.32 111.97 3hwx s GLY 441 Ca -0.03 -0.21 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 3hwx s GLY 441 CO -0.08 0.03 1.62 1.29 0.00 0.00 0.00 173.10 175.96 3hwx h ASP 442 N -0.12 -0.89 -0.25 1.64 2.03 -1.54 0.48 116.42 117.78 3hwx h ASP 442 Ca -0.45 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3hwx h ASP 442 Cb 1.19 0.39 -0.01 0.00 -0.83 0.00 0.00 39.33 40.08 3hwx h ASP 442 CO 0.62 -0.32 0.16 -0.07 -1.03 0.00 0.00 179.24 178.60 3hwx h LEU 443 N -0.33 0.28 -1.02 0.15 3.38 -1.89 -1.56 115.31 114.31 3hwx h LEU 443 Ca 0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3hwx h LEU 443 Cb 0.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hwx h LEU 443 CO -0.36 0.20 -0.37 0.28 0.09 0.00 0.00 178.44 178.27 3hwx h SER 444 N 0.33 0.22 1.20 -0.43 0.02 -1.27 -1.44 113.55 112.18 3hwx h SER 444 Ca 0.09 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3hwx h SER 444 Cb -0.03 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3hwx h SER 444 CO -0.02 0.58 -0.68 0.00 -1.14 0.00 0.00 176.83 175.58 3hwx h ALA 445 N 1.43 0.61 -0.27 3.77 0.00 -0.47 -3.20 119.26 121.13 3hwx h ALA 445 Ca 0.02 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 3hwx h ALA 445 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hwx h ALA 445 CO 0.06 0.84 -0.57 -0.07 0.00 0.00 0.00 179.25 179.51 3hwx h LEU 446 N 0.00 0.95 -1.35 0.00 3.38 -0.99 -2.16 115.31 115.14 3hwx h LEU 446 Ca -0.01 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.51 3hwx h LEU 446 Cb 1.46 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 3hwx h LEU 446 CO 0.09 1.31 0.49 0.22 0.09 0.00 0.00 178.44 180.64 3hwx h TYR 447 N 0.64 0.80 -0.05 1.13 5.03 -1.30 -2.79 116.97 120.43 3hwx h TYR 447 Ca 0.01 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3hwx h TYR 447 Cb 1.18 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 39.19 3hwx h TYR 447 CO 0.07 0.42 -0.07 -3.47 -1.32 0.00 0.00 178.16 173.80 3hwx n ASP 448 N -4.48 2.49 -0.32 -2.11 -0.08 -1.21 -4.84 116.55 106.00 3hwx n ASP 448 Ca 0.11 -3.22 0.16 0.00 -1.51 0.00 0.00 54.79 50.32 3hwx n ASP 448 Cb 0.22 -0.47 0.35 0.00 2.34 0.00 0.00 41.12 43.55 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 0.44 0.48 -0.85 -2.67 5.85 -1.10 1.34 115.31 118.80 3hwx h LEU 449 Ca 0.01 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hwx h LEU 449 Cb 1.09 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3hwx h LEU 449 CO 0.05 0.03 0.00 -0.46 -0.34 0.00 0.00 178.44 177.72 3hwx n ASN 450 N -4.98 0.46 0.09 1.25 0.23 -1.26 -0.90 115.26 110.15 3hwx n ASN 450 Ca 0.25 0.67 0.10 0.00 -0.53 0.00 0.00 54.58 55.07 3hwx n ASN 450 Cb 0.71 -0.74 0.43 0.00 -2.08 0.00 0.00 39.78 38.10 3hwx n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwx n ALA 451 N -1.71 1.67 -0.23 -2.53 0.00 0.46 -1.47 120.51 116.69 3hwx n ALA 451 Ca 0.00 0.04 0.22 0.00 0.00 0.00 0.00 53.44 53.70 3hwx n ALA 451 Cb 0.11 -1.34 0.56 0.00 0.00 0.00 0.00 19.45 18.77 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 0.32 -0.87 0.00 3.38 -1.14 -0.05 115.31 116.94 3hwx h LEU 452 Ca 0.00 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3hwx h LEU 452 Cb 0.33 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3hwx h LEU 452 CO 0.00 0.12 0.52 0.00 0.09 0.00 0.00 178.44 179.16 3hwx h ALA 453 N 1.60 1.25 0.00 1.53 0.00 -1.48 -1.21 119.26 120.95 3hwx h ALA 453 Ca 0.47 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 3hwx h ALA 453 Cb 1.32 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hwx h ALA 453 CO -0.15 0.15 -0.08 -0.07 0.00 0.00 0.00 179.25 179.10 3hwx h LEU 454 N 0.86 0.00 -3.04 0.00 3.38 -1.19 -2.99 115.31 112.33 3hwx h LEU 454 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3hwx h LEU 454 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hwx h LEU 454 CO -0.24 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.55 3hwx n LEU 455 N -3.16 4.78 0.03 1.67 4.77 -0.46 -2.66 117.00 121.96 3hwx n LEU 455 Ca 0.02 -2.43 0.11 0.00 -0.03 0.00 0.00 56.01 53.68 3hwx n LEU 455 Cb 0.44 -0.64 0.08 0.00 -2.33 0.00 0.00 43.42 40.97 3hwx n LEU 455 CO 0.32 0.57 0.14 0.54 -1.33 0.00 0.00 177.39 177.63 3hwx n ARG 456 N 0.56 0.23 -3.92 3.23 1.74 -1.13 -4.16 116.66 113.20 3hwx n ARG 456 Ca 0.23 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 57.00 3hwx n ARG 456 Cb 1.00 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.71 3hwx n ARG 456 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hwx s GLN 457 N -3.15 1.88 -0.03 5.56 -0.21 -1.09 -4.95 119.66 117.67 3hwx s GLN 457 Ca 0.06 -2.24 0.03 0.00 0.02 0.00 0.00 55.36 53.23 3hwx s GLN 457 Cb 0.15 -3.37 -0.00 0.00 1.00 0.00 0.00 33.01 30.79 3hwx s GLN 457 CO 0.77 -1.05 -0.12 0.14 -2.12 0.00 0.00 175.29 172.91 3hwx s VAL 458 N 0.36 1.03 -0.52 1.09 -7.23 -1.26 -4.94 120.40 108.93 3hwx s VAL 458 Ca 0.14 -0.51 0.26 0.00 -1.81 0.00 0.00 61.98 60.05 3hwx s VAL 458 Cb -0.22 -0.89 0.29 0.00 0.56 0.00 0.00 36.38 36.11 3hwx s VAL 458 CO -0.04 0.31 1.76 0.77 -0.31 0.00 0.00 175.10 177.58 3hwx h SER 459 N 6.21 0.00 -4.88 4.85 4.64 -1.92 -3.40 113.55 119.05 3hwx h SER 459 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 3hwx h SER 459 Cb 1.17 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 3hwx h SER 459 CO 0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 176.34 3hwx s ALA 460 N -3.25 -1.17 0.34 5.18 0.00 -1.26 -4.77 121.76 116.83 3hwx s ALA 460 Ca 0.07 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 3hwx s ALA 460 Cb 0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 3hwx s ALA 460 CO 0.52 -0.29 1.17 -0.35 0.00 0.00 0.00 175.76 176.80 3hwx n PRO 461 N 1.31 1.78 -4.03 0.00 -0.05 -1.22 -4.44 135.00 128.35 3hwx n PRO 461 Ca -0.20 0.63 -0.19 0.00 -0.05 0.00 0.00 63.50 63.69 3hwx n PRO 461 Cb 0.56 -2.14 -0.16 0.00 -0.05 0.00 0.00 33.50 31.71 3hwx n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3hwx s LEU 462 N -0.52 1.20 -0.15 1.53 0.20 -1.03 -0.26 118.68 119.65 3hwx s LEU 462 Ca 0.57 -0.08 -0.07 0.00 0.69 0.00 0.00 54.13 55.24 3hwx s LEU 462 Cb -0.61 -0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 3hwx s LEU 462 CO 0.61 -0.08 0.09 -0.69 -0.29 0.00 0.00 176.35 175.99 3hwx s VAL 463 N 1.04 5.08 -0.33 1.68 1.01 0.14 -2.20 120.40 126.83 3hwx s VAL 463 Ca -0.09 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3hwx s VAL 463 Cb -0.14 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.02 3hwx s VAL 463 CO -0.01 0.52 0.09 -0.22 0.00 0.00 0.00 175.10 175.48 3hwx s LEU 464 N -0.23 4.21 -0.25 3.92 2.96 -0.48 -1.32 118.68 127.49 3hwx s LEU 464 Ca 0.09 -1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 52.68 3hwx s LEU 464 Cb -0.12 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3hwx s LEU 464 CO 0.01 -0.30 0.67 -0.63 -1.32 0.00 0.00 176.35 174.77 3hwx s ILE 465 N 1.39 4.96 -0.31 6.68 1.01 0.26 -0.36 121.20 134.83 3hwx s ILE 465 Ca -0.02 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.76 3hwx s ILE 465 Cb -0.19 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 3hwx s ILE 465 CO 0.02 0.02 0.15 -0.69 0.00 0.00 0.00 174.94 174.44 3hwx s VAL 466 N 2.50 4.58 -0.41 2.92 1.01 0.85 -2.08 120.40 129.77 3hwx s VAL 466 Ca 0.28 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 3hwx s VAL 466 Cb -0.15 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3hwx s VAL 466 CO 0.08 0.05 0.47 -0.69 0.00 0.00 0.00 175.10 175.02 3hwx s VAL 467 N 1.61 5.05 -0.56 2.92 1.01 -0.32 0.15 120.40 130.26 3hwx s VAL 467 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3hwx s VAL 467 Cb -0.17 -4.04 0.15 0.00 0.00 0.00 0.00 36.38 32.32 3hwx s VAL 467 CO 0.06 -0.40 0.40 0.21 0.00 0.00 0.00 175.10 175.37 3hwx s ASN 468 N 1.83 5.50 -0.54 3.32 3.84 0.99 -1.44 114.94 128.44 3hwx s ASN 468 Ca 0.14 -2.44 0.02 0.00 0.21 0.00 0.00 52.86 50.78 3hwx s ASN 468 Cb -0.16 -1.92 0.56 0.00 -0.55 0.00 0.00 41.25 39.18 3hwx s ASN 468 CO 0.14 -0.50 1.93 -0.46 -2.79 0.00 0.00 177.10 175.42 3hwx n ASN 469 N 4.10 5.49 -3.94 -4.21 0.23 -1.26 -1.90 115.26 113.77 3hwx n ASN 469 Ca 0.03 -3.70 -0.36 0.00 -0.53 0.00 0.00 54.58 50.01 3hwx n ASN 469 Cb 0.40 -0.88 0.01 0.00 -2.08 0.00 0.00 39.78 37.23 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 -1.03 -3.92 0.00 0.53 5.15 -1.26 -4.28 115.26 110.44 3hwx n ASN 470 Ca 0.60 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 3hwx n ASN 470 Cb 1.18 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 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 -1.85 0.95 2.71 8.20 0.00 -1.26 -4.27 105.19 109.67 3hwx n GLY 471 Ca -0.17 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3hwx n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwx n GLY 472 N -1.34 4.94 0.00 -0.02 0.00 0.17 -4.60 105.19 104.35 3hwx n GLY 472 Ca 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 46.02 43.95 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 3.01 0.04 0.30 1.61 1.13 -1.26 -0.79 117.38 121.42 3hwx n GLN 473 Ca 0.49 0.04 0.19 0.00 -1.94 0.00 0.00 57.00 55.78 3hwx n GLN 473 Cb 0.32 -1.50 0.91 0.00 0.11 0.00 0.00 30.24 30.07 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 0.09 -0.00 5.09 6.09 -1.95 -2.01 117.51 124.81 3hwx h ILE 474 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3hwx h ILE 474 Cb 0.00 1.28 0.00 0.00 0.47 0.00 0.00 36.82 38.58 3hwx h ILE 474 CO 0.00 0.02 -0.19 0.49 -3.07 0.00 0.00 178.15 175.40 3hwx n PHE 475 N -3.17 0.00 0.07 2.19 3.72 0.03 -1.54 117.46 118.76 3hwx n PHE 475 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 3hwx n PHE 475 Cb 0.20 -0.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.43 3hwx n PHE 475 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hwx h SER 476 N 0.30 0.00 -0.08 4.37 0.02 -1.57 -3.39 113.55 113.20 3hwx h SER 476 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3hwx h SER 476 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3hwx h SER 476 CO 0.00 0.41 -0.23 0.25 -1.14 0.00 0.00 176.83 176.12 3hwx h LEU 477 N 0.00 0.34-10.10 5.07 5.85 -1.23 -3.45 115.31 111.79 3hwx h LEU 477 Ca -0.09 -0.60 -0.48 0.00 0.84 0.00 0.00 57.88 57.55 3hwx h LEU 477 Cb 1.39 -0.10 0.04 0.00 0.37 0.00 0.00 40.66 42.36 3hwx h LEU 477 CO 0.04 0.88 0.39 -0.76 -0.34 0.00 0.00 178.44 178.64 3hwx s LEU 478 N -8.84 3.76 0.00 2.25 1.43 -0.59 -4.89 118.68 111.79 3hwx s LEU 478 Ca -0.15 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3hwx s LEU 478 Cb 0.04 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 3hwx s LEU 478 CO 0.76 -0.90 1.66 -0.81 0.23 0.00 0.00 176.35 177.29 3hwx n PRO 479 N -1.23 0.84 -0.87 1.29 -0.04 -1.26 -4.86 135.00 128.87 3hwx n PRO 479 Ca 0.09 -0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 3hwx n PRO 479 Cb 0.52 -1.21 0.15 0.00 -0.04 0.00 0.00 33.50 32.92 3hwx n PRO 479 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hwx s THR 480 N 0.61 2.01 -0.23 0.52 -4.23 -1.26 -4.90 115.64 108.16 3hwx s THR 480 Ca 0.06 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.28 3hwx s THR 480 Cb 0.03 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 3hwx s THR 480 CO 0.00 -0.00 1.23 -2.16 -0.54 0.00 0.00 174.62 173.14 3hwx s PRO 481 N -4.41 4.11 0.52 3.99 0.04 -1.26 -4.90 135.00 133.09 3hwx s PRO 481 Ca 0.70 1.43 0.31 0.00 0.04 0.00 0.00 61.00 63.47 3hwx s PRO 481 Cb -0.26 -3.78 1.44 0.00 0.04 0.00 0.00 34.50 31.94 3hwx s PRO 481 CO 0.55 -0.85 1.85 1.96 0.04 0.00 0.00 177.00 180.55 3hwx h GLN 482 N 8.45 0.07 -0.68 4.56 4.20 -1.99 -2.53 115.11 127.19 3hwx h GLN 482 Ca -0.25 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 3hwx h GLN 482 Cb 1.09 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 3hwx h GLN 482 CO 1.00 0.04 0.33 1.03 -0.67 0.00 0.00 178.83 180.56 3hwx h SER 483 N 0.07 0.89 -0.00 1.46 0.87 -2.03 -3.32 113.55 111.48 3hwx h SER 483 Ca 0.48 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3hwx h SER 483 Cb 1.80 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 3hwx h SER 483 CO -0.05 0.77 -0.02 -1.84 -0.53 0.00 0.00 176.83 175.16 3hwx n GLU 484 N -4.46 1.26 -0.26 2.24 0.00 -1.02 -4.78 120.64 113.63 3hwx n GLU 484 Ca 0.05 -0.45 -0.08 0.00 0.00 0.00 0.00 57.16 56.69 3hwx n GLU 484 Cb 0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 31.44 30.62 3hwx n GLU 484 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3hwx h ARG 485 N 0.29 -0.16 -0.24 3.44 9.65 -1.56 -2.31 114.38 123.48 3hwx h ARG 485 Ca 0.00 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3hwx h ARG 485 Cb 0.07 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3hwx h ARG 485 CO 0.00 -0.11 0.10 1.49 2.80 0.00 0.00 179.97 184.26 3hwx h GLU 486 N -0.16 0.22 0.00 0.20 4.81 -1.86 -1.30 114.58 116.48 3hwx h GLU 486 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3hwx h GLU 486 Cb 0.55 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3hwx h GLU 486 CO -0.77 0.14 -1.03 2.89 -0.73 0.00 0.00 179.01 179.52 3hwx n ARG 487 N -5.01 0.40 -0.04 1.92 1.85 -1.20 -2.30 116.66 112.28 3hwx n ARG 487 Ca -0.02 0.03 0.03 0.00 -1.00 0.00 0.00 57.85 56.89 3hwx n ARG 487 Cb 0.07 -1.66 0.05 0.00 -1.05 0.00 0.00 32.46 29.87 3hwx n ARG 487 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3hwx n PHE 488 N -2.20 0.12 0.08 2.89 3.72 -0.88 -4.56 117.46 116.63 3hwx n PHE 488 Ca 0.01 -0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3hwx n PHE 488 Cb 0.48 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.22 -1.76 0.22 1.38 4.01 -0.67 -4.89 117.16 115.67 3hwx n TYR 489 Ca 0.05 0.35 0.06 0.00 -0.16 0.00 0.00 57.90 58.20 3hwx n TYR 489 Cb 0.24 0.91 0.49 0.00 -0.31 0.00 0.00 39.34 40.68 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hwx h LEU 490 N 0.00 0.00 -2.99 7.72 3.38 -1.38 -3.42 115.31 118.62 3hwx h LEU 490 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3hwx h LEU 490 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hwx h LEU 490 CO 0.00 0.26 -0.40 0.23 0.09 0.00 0.00 178.44 178.62 3hwx n MET 491 N -3.94 -0.63 -1.91 1.13 2.81 -0.97 -0.65 117.12 112.96 3hwx n MET 491 Ca -0.02 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 3hwx n MET 491 Cb 0.34 -0.63 -0.03 0.00 -0.71 0.00 0.00 33.22 32.19 3hwx n MET 491 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3hwx s PRO 492 N -4.06 4.21 -0.00 0.03 0.04 -1.26 -4.62 135.00 129.34 3hwx s PRO 492 Ca 0.06 2.40 0.16 0.00 0.04 0.00 0.00 61.00 63.66 3hwx s PRO 492 Cb -0.03 -3.11 -0.18 0.00 0.04 0.00 0.00 34.50 31.21 3hwx s PRO 492 CO 0.34 -0.57 0.67 1.04 0.04 0.00 0.00 177.00 178.52 3hwx n GLN 493 N 3.19 1.57 -3.34 4.56 1.13 -1.26 -4.94 117.38 118.28 3hwx n GLN 493 Ca 0.11 -0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.98 3hwx n GLN 493 Cb 0.39 -1.27 0.07 0.00 0.11 0.00 0.00 30.24 29.53 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 -1.43 -6.27 -3.77 1.08 3.02 -1.26 -4.99 115.26 101.63 3hwx n ASN 494 Ca 0.03 -0.77 -0.09 0.00 -0.03 0.00 0.00 54.58 53.71 3hwx n ASN 494 Cb 0.26 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.52 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 -3.41 0.12 0.38 2.41 0.11 -1.26 -5.17 120.40 113.58 3hwx s VAL 495 Ca 0.45 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3hwx s VAL 495 Cb -0.08 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 3hwx s VAL 495 CO 0.76 -0.53 0.11 -1.00 -3.33 0.00 0.00 175.10 171.12 3hwx s HIS 496 N -3.84 1.81 -0.24 1.54 3.76 -1.26 -4.99 115.29 112.07 3hwx s HIS 496 Ca 0.04 -1.21 0.02 0.00 -0.15 0.00 0.00 55.06 53.77 3hwx s HIS 496 Cb 0.04 -1.17 0.05 0.00 1.11 0.00 0.00 32.58 32.61 3hwx s HIS 496 CO -0.11 -0.23 0.90 1.19 -0.85 0.00 0.00 174.74 175.63 3hwx n PHE 497 N -0.84 0.07 -0.20 1.40 3.01 -1.26 -4.74 117.46 114.90 3hwx n PHE 497 Ca -0.05 -0.34 -0.06 0.00 1.01 0.00 0.00 57.45 58.01 3hwx n PHE 497 Cb 0.65 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 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 0.46 -0.17 -0.32 -1.08 4.81 -1.98 0.19 114.58 116.49 3hwx h GLU 498 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3hwx h GLU 498 Cb 0.41 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3hwx h GLU 498 CO 0.00 -0.11 -0.27 0.45 -0.73 0.00 0.00 179.01 178.35 3hwx h HIS 499 N -0.18 0.88 -0.53 0.92 3.86 -1.98 -1.02 115.15 117.10 3hwx h HIS 499 Ca 0.22 -0.25 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3hwx h HIS 499 Cb 0.55 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 3hwx h HIS 499 CO -0.64 1.01 0.25 0.00 0.86 0.00 0.00 177.93 179.41 3hwx h ALA 500 N 0.73 0.68 -0.45 2.45 0.00 -1.78 0.46 119.26 121.35 3hwx h ALA 500 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hwx h ALA 500 Cb 0.84 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3hwx h ALA 500 CO 0.07 -0.12 0.27 0.00 0.00 0.00 0.00 179.25 179.47 3hwx h ALA 501 N 1.31 0.58 -0.80 0.00 0.00 -0.89 -2.67 119.26 116.79 3hwx h ALA 501 Ca 0.25 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hwx h ALA 501 Cb 0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3hwx h ALA 501 CO -0.20 -0.05 0.51 0.00 0.00 0.00 0.00 179.25 179.51 3hwx h ALA 502 N 1.20 1.06 -0.82 0.00 0.00 -0.24 -0.24 119.26 120.22 3hwx h ALA 502 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3hwx h ALA 502 Cb 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 3hwx h ALA 502 CO -0.08 0.32 0.53 1.98 0.00 0.00 0.00 179.25 182.00 3hwx h MET 503 N 0.99 0.67 -0.33 0.00 4.05 0.23 -0.78 114.93 119.75 3hwx h MET 503 Ca 0.32 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 3hwx h MET 503 Cb 0.03 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 3hwx h MET 503 CO -0.12 0.44 0.00 1.19 0.23 0.00 0.00 176.91 178.66 3hwx n PHE 504 N -4.52 1.07 -3.33 1.39 3.72 -1.09 -4.96 117.46 109.74 3hwx n PHE 504 Ca 0.15 -0.80 -0.24 0.00 -0.05 0.00 0.00 57.45 56.50 3hwx n PHE 504 Cb 0.39 -0.31 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3hwx n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hwx n GLU 505 N -0.15 -5.03 -3.78 -1.08 1.02 -0.30 -4.85 120.64 106.47 3hwx n GLU 505 Ca 0.21 0.74 -0.35 0.00 -0.02 0.00 0.00 57.16 57.73 3hwx n GLU 505 Cb 0.88 -5.59 -0.09 0.00 -0.02 0.00 0.00 31.44 26.62 3hwx n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hwx s LEU 506 N -6.82 4.03 0.20 -4.62 1.43 -0.15 -5.02 118.68 107.73 3hwx s LEU 506 Ca 0.43 0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 53.33 3hwx s LEU 506 Cb -0.20 -2.05 -0.15 0.00 0.03 0.00 0.00 46.19 43.81 3hwx s LEU 506 CO 0.53 0.12 1.19 0.29 0.23 0.00 0.00 176.35 178.71 3hwx n LYS 507 N 3.88 1.38 -5.18 1.70 4.01 -1.22 -4.24 118.16 118.49 3hwx n LYS 507 Ca -0.16 0.49 -0.30 0.00 -0.51 0.00 0.00 58.31 57.83 3hwx n LYS 507 Cb 0.52 -2.00 -0.16 0.00 -0.51 0.00 0.00 35.03 32.88 3hwx n LYS 507 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 3hwx s TYR 508 N -0.28 2.27 -0.01 2.13 5.04 -1.26 -0.34 117.35 124.90 3hwx s TYR 508 Ca 0.70 -0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 54.90 3hwx s TYR 508 Cb -0.79 -1.44 0.01 0.00 0.35 0.00 0.00 41.96 40.09 3hwx s TYR 508 CO 0.53 0.00 0.02 -1.01 -1.34 0.00 0.00 175.55 173.75 3hwx s HIS 509 N -0.65 -0.00 -0.83 4.97 3.76 -0.83 -5.00 115.29 116.72 3hwx s HIS 509 Ca 0.10 0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3hwx s HIS 509 Cb -0.10 -0.06 0.23 0.00 1.11 0.00 0.00 32.58 33.76 3hwx s HIS 509 CO -0.00 -0.03 0.80 -2.13 -0.85 0.00 0.00 174.74 172.53 3hwx n ARG 510 N 3.39 2.68 -1.80 1.40 0.63 -1.26 -0.71 116.66 120.99 3hwx n ARG 510 Ca -0.17 -4.54 -0.40 0.00 -0.92 0.00 0.00 57.85 51.83 3hwx n ARG 510 Cb 0.57 -2.37 0.02 0.00 0.45 0.00 0.00 32.46 31.13 3hwx n ARG 510 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hwx s PRO 511 N -1.82 3.68 -0.04 -0.14 0.04 -1.26 -4.94 135.00 130.52 3hwx s PRO 511 Ca 0.30 2.42 0.18 0.00 0.04 0.00 0.00 61.00 63.95 3hwx s PRO 511 Cb -0.00 -2.66 -0.28 0.00 0.04 0.00 0.00 34.50 31.60 3hwx s PRO 511 CO -0.08 -0.82 0.37 1.04 0.04 0.00 0.00 177.00 177.55 3hwx n GLN 512 N -0.19 0.63 -3.99 4.56 6.02 -1.26 -4.76 117.38 118.39 3hwx n GLN 512 Ca 0.05 -0.15 -0.16 0.00 -0.01 0.00 0.00 57.00 56.73 3hwx n GLN 512 Cb 0.42 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.18 3hwx n GLN 512 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hwx n ASN 513 N -2.20 -1.00 0.04 1.08 0.23 -1.26 -4.99 115.26 107.15 3hwx n ASN 513 Ca -0.06 -2.94 0.01 0.00 -0.53 0.00 0.00 54.58 51.06 3hwx n ASN 513 Cb 0.55 2.03 0.33 0.00 -2.08 0.00 0.00 39.78 40.61 3hwx n ASN 513 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 3hwx h TRP 514 N 1.99 0.43 0.14 -2.53 4.06 -1.96 -1.39 115.95 116.70 3hwx h TRP 514 Ca -0.24 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.66 3hwx h TRP 514 Cb 1.14 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 3hwx h TRP 514 CO 0.00 0.48 -0.07 0.37 -3.56 0.00 0.00 178.44 175.66 3hwx h GLN 515 N 0.40 -0.18 -0.55 0.49 -0.00 -2.00 -2.17 115.11 111.10 3hwx h GLN 515 Ca 0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.69 3hwx h GLN 515 Cb 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 3hwx h GLN 515 CO 0.02 0.04 0.09 0.93 0.00 0.00 0.00 178.83 179.91 3hwx h GLU 516 N -0.38 0.86 0.30 1.69 5.08 -1.91 -1.79 114.58 118.43 3hwx h GLU 516 Ca -0.02 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3hwx h GLU 516 Cb 0.31 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hwx h GLU 516 CO 0.03 0.80 -0.15 1.25 -1.00 0.00 0.00 179.01 179.95 3hwx h LEU 517 N 0.82 -0.34 -1.07 1.33 5.85 -1.06 -1.73 115.31 119.11 3hwx h LEU 517 Ca 0.17 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3hwx h LEU 517 Cb 0.36 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3hwx h LEU 517 CO 0.01 -0.22 0.15 -0.33 -0.34 0.00 0.00 178.44 177.71 3hwx h GLU 518 N -0.44 0.81 -0.23 1.25 5.08 -1.23 0.24 114.58 120.06 3hwx h GLU 518 Ca -0.04 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3hwx h GLU 518 Cb 0.34 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3hwx h GLU 518 CO 0.07 0.72 -0.53 1.15 -1.00 0.00 0.00 179.01 179.42 3hwx h THR 519 N 0.79 0.02 -0.79 1.13 2.02 -1.20 0.68 112.91 115.56 3hwx h THR 519 Ca 0.18 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.45 3hwx h THR 519 Cb 0.26 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 3hwx h THR 519 CO -0.01 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.40 3hwx h ALA 520 N -0.12 1.77 -0.63 6.16 0.00 -0.86 -1.21 119.26 124.36 3hwx h ALA 520 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hwx h ALA 520 Cb 0.65 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3hwx h ALA 520 CO -0.49 0.07 0.39 0.74 0.00 0.00 0.00 179.25 179.97 3hwx h PHE 521 N 0.73 0.81 0.27 0.00 0.04 -0.24 -2.76 116.94 115.80 3hwx h PHE 521 Ca 0.37 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.13 3hwx h PHE 521 Cb 0.45 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3hwx h PHE 521 CO -0.00 0.54 -0.13 0.00 -0.60 0.00 0.00 178.31 178.12 3hwx h ALA 522 N 1.21 -0.93 -0.75 2.45 0.00 0.35 -2.98 119.26 118.60 3hwx h ALA 522 Ca 0.23 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.28 3hwx h ALA 522 Cb -0.05 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hwx h ALA 522 CO -0.05 -0.91 0.59 0.22 0.00 0.00 0.00 179.25 179.11 3hwx h ASP 523 N -0.42 0.00 -0.01 0.00 3.58 -1.61 0.19 116.42 118.15 3hwx h ASP 523 Ca -0.04 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 3hwx h ASP 523 Cb 0.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3hwx h ASP 523 CO 0.06 0.00 -0.17 0.00 -2.88 0.00 0.00 179.24 176.25 3hwx h ALA 524 N 1.54 1.33 -0.08 -0.78 0.00 -1.45 -2.97 119.26 116.85 3hwx h ALA 524 Ca 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hwx h ALA 524 Cb 1.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hwx h ALA 524 CO -0.00 0.45 0.00 0.91 0.00 0.00 0.00 179.25 180.61 3hwx n TRP 525 N -4.20 0.10 1.03 0.00 5.03 0.68 -3.76 117.44 116.32 3hwx n TRP 525 Ca -0.00 -0.05 0.11 0.00 3.03 0.00 0.00 57.50 60.59 3hwx n TRP 525 Cb 0.33 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.64 3hwx n TRP 525 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3hwx n ARG 526 N -0.33 1.16 -4.14 -0.99 1.74 -1.12 -4.88 116.66 108.11 3hwx n ARG 526 Ca 0.11 -0.94 -0.15 0.00 -0.77 0.00 0.00 57.85 56.10 3hwx n ARG 526 Cb 0.14 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 3hwx n ARG 526 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3hwx s THR 527 N -2.49 0.46 -0.69 0.55 -4.23 -1.25 -5.05 115.64 102.95 3hwx s THR 527 Ca 0.19 -0.45 -0.06 0.00 -1.18 0.00 0.00 61.69 60.19 3hwx s THR 527 Cb 0.18 -0.43 -0.12 0.00 1.34 0.00 0.00 72.50 73.48 3hwx s THR 527 CO 0.57 -0.01 2.54 -2.65 -0.54 0.00 0.00 174.62 174.53 3hwx n PRO 528 N 2.56 2.15 -4.17 3.99 -0.02 -1.26 -3.44 135.00 134.81 3hwx n PRO 528 Ca -0.15 -1.31 -0.11 0.00 -2.02 0.00 0.00 63.50 59.91 3hwx n PRO 528 Cb 0.57 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 3hwx n PRO 528 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hwx s THR 529 N 2.41 0.28 -0.07 3.45 -4.23 -1.26 -4.37 115.64 111.85 3hwx s THR 529 Ca 0.49 -1.92 -0.25 0.00 -1.18 0.00 0.00 61.69 58.82 3hwx s THR 529 Cb 0.17 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.95 3hwx s THR 529 CO -0.03 -0.51 0.79 -0.89 -0.54 0.00 0.00 174.62 173.45 3hwx s THR 530 N -3.92 4.97 -0.17 3.99 2.01 -1.26 -2.46 115.64 118.80 3hwx s THR 530 Ca 0.23 1.63 -0.00 0.00 0.31 0.00 0.00 61.69 63.85 3hwx s THR 530 Cb 0.07 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.46 3hwx s THR 530 CO 0.01 0.18 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.09 3hwx s THR 531 N 1.13 2.61 0.01 -0.82 2.01 -0.93 -3.45 115.64 116.20 3hwx s THR 531 Ca 0.41 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 3hwx s THR 531 Cb -0.18 -2.12 -0.06 0.00 0.01 0.00 0.00 72.50 70.15 3hwx s THR 531 CO 0.19 0.51 0.54 -0.69 -0.69 0.00 0.00 174.62 174.48 3hwx s VAL 532 N 1.07 4.91 -0.15 3.82 1.01 0.54 -1.38 120.40 130.22 3hwx s VAL 532 Ca -0.00 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 3hwx s VAL 532 Cb -0.14 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.41 3hwx s VAL 532 CO -0.04 0.48 -0.00 -0.63 0.00 0.00 0.00 175.10 174.90 3hwx s ILE 533 N -0.53 0.67 -0.35 2.22 1.01 0.51 -1.95 121.20 122.77 3hwx s ILE 533 Ca 0.28 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 3hwx s ILE 533 Cb -0.18 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 3hwx s ILE 533 CO 0.16 0.02 0.28 -0.70 0.00 0.00 0.00 174.94 174.70 3hwx s GLU 534 N 1.82 3.41 -0.41 2.79 2.12 0.11 -0.10 118.70 128.43 3hwx s GLU 534 Ca 0.01 -0.68 -0.16 0.00 0.36 0.00 0.00 54.97 54.51 3hwx s GLU 534 Cb -0.15 -3.84 0.02 0.00 0.26 0.00 0.00 34.13 30.42 3hwx s GLU 534 CO -0.07 -0.52 0.37 1.41 -0.54 0.00 0.00 175.26 175.91 3hwx s MET 535 N 1.77 3.05 -0.15 4.30 -2.45 0.12 -4.16 119.30 121.79 3hwx s MET 535 Ca 0.07 -0.87 -0.20 0.00 -1.25 0.00 0.00 55.69 53.43 3hwx s MET 535 Cb -0.18 -3.97 -0.03 0.00 1.25 0.00 0.00 34.83 31.90 3hwx s MET 535 CO 0.11 -0.79 0.58 0.08 1.05 0.00 0.00 175.02 176.04 3hwx s VAL 536 N 1.91 5.09 0.09 10.11 1.01 -1.26 -0.01 120.40 137.35 3hwx s VAL 536 Ca 0.09 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.21 3hwx s VAL 536 Cb -0.18 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3hwx s VAL 536 CO 0.12 0.22 -0.07 0.68 0.00 0.00 0.00 175.10 176.05 3hwx s VAL 537 N 1.23 0.66 -0.14 2.92 -7.23 -0.80 -4.97 120.40 112.08 3hwx s VAL 537 Ca 0.29 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 3hwx s VAL 537 Cb -0.16 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 3hwx s VAL 537 CO 0.12 -0.83 1.37 0.20 -0.31 0.00 0.00 175.10 175.65 3hwx s ASN 538 N -2.90 6.86 0.37 4.85 0.01 -1.26 -4.48 114.94 118.40 3hwx s ASN 538 Ca 0.10 1.84 0.22 0.00 -0.71 0.00 0.00 52.86 54.30 3hwx s ASN 538 Cb 0.04 -2.54 1.35 0.00 0.41 0.00 0.00 41.25 40.52 3hwx s ASN 538 CO -0.04 -0.81 1.58 -0.90 -1.51 0.00 0.00 177.10 175.41 3hwx n ASP 539 N 6.78 0.34 -0.58 -1.22 5.68 -1.26 -1.77 116.55 124.52 3hwx n ASP 539 Ca 0.15 1.64 0.10 0.00 -0.50 0.00 0.00 54.79 56.18 3hwx n ASP 539 Cb 0.44 -0.80 0.03 0.00 -1.14 0.00 0.00 41.12 39.65 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 -5.23 0.00 0.13 2.12 -2.24 -1.26 -4.46 114.28 103.34 3hwx n THR 540 Ca 0.38 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3hwx n THR 540 Cb 1.30 1.30 0.30 0.00 -2.10 0.00 0.00 70.33 71.13 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 2.83 0.15 0.34 3.42 3.32 -1.76 -1.59 116.42 123.13 3hwx h ASP 541 Ca 0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3hwx h ASP 541 Cb 0.73 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3hwx h ASP 541 CO 0.00 0.50 -0.16 1.23 -1.72 0.00 0.00 179.24 179.09 3hwx h GLY 542 N 1.10 -0.47 -0.78 2.75 0.00 -1.78 -1.59 103.07 102.30 3hwx h GLY 542 Ca 0.02 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.62 3hwx h GLY 542 CO 0.05 -0.17 -0.49 0.00 0.00 0.00 0.00 176.54 175.93 3hwx h ALA 543 N -1.67 -0.33 -0.37 3.60 0.00 -1.81 -1.43 119.26 117.25 3hwx h ALA 543 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hwx h ALA 543 Cb 0.35 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3hwx h ALA 543 CO 0.08 -0.85 0.11 1.96 0.00 0.00 0.00 179.25 180.55 3hwx h GLN 544 N -0.11 0.25 -0.38 0.00 4.20 -1.37 -1.07 115.11 116.62 3hwx h GLN 544 Ca 0.20 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.94 3hwx h GLN 544 Cb 0.52 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 3hwx h GLN 544 CO -0.84 0.17 0.16 1.15 -0.67 0.00 0.00 178.83 178.80 3hwx h THR 545 N 0.26 0.92 -0.12 -0.54 2.02 -0.22 0.32 112.91 115.55 3hwx h THR 545 Ca 0.17 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3hwx h THR 545 Cb 0.16 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3hwx h THR 545 CO -0.19 0.06 -0.14 0.25 0.37 0.00 0.00 175.52 175.87 3hwx h LEU 546 N 0.33 -0.43 -0.17 2.58 5.85 -1.19 -0.48 115.31 121.80 3hwx h LEU 546 Ca 0.17 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.02 3hwx h LEU 546 Cb 0.13 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hwx h LEU 546 CO -0.16 -0.18 -0.13 1.56 -0.34 0.00 0.00 178.44 179.19 3hwx h GLN 547 N -0.17 -0.14 -0.64 1.25 4.20 0.62 0.51 115.11 120.73 3hwx h GLN 547 Ca 0.09 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.87 3hwx h GLN 547 Cb 0.30 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 3hwx h GLN 547 CO -0.22 -0.09 0.33 1.96 -0.67 0.00 0.00 178.83 180.14 3hwx h GLN 548 N -0.14 0.60 -0.61 1.46 4.20 -0.34 -2.45 115.11 117.83 3hwx h GLN 548 Ca 0.10 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3hwx h GLN 548 Cb 0.30 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3hwx h GLN 548 CO -0.26 0.39 0.06 -0.07 -0.67 0.00 0.00 178.83 178.29 3hwx h LEU 549 N 0.61 1.01 -1.85 1.46 3.38 0.40 0.56 115.31 120.89 3hwx h LEU 549 Ca 0.29 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 58.15 3hwx h LEU 549 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hwx h LEU 549 CO -0.20 1.03 0.47 0.25 0.09 0.00 0.00 178.44 180.09 3hwx h LEU 550 N 0.94 0.14 0.06 1.67 7.12 -0.69 -2.07 115.31 122.48 3hwx h LEU 550 Ca 0.18 0.01 -0.12 0.00 0.13 0.00 0.00 57.88 58.08 3hwx h LEU 550 Cb 0.48 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3hwx h LEU 550 CO 0.02 0.07 -0.58 0.00 -0.13 0.00 0.00 178.44 177.82 3hwx h ALA 551 N 1.67 0.02 -0.79 1.25 0.00 -0.60 -2.87 119.26 117.93 3hwx h ALA 551 Ca 0.33 -0.71 0.11 0.00 0.00 0.00 0.00 54.91 54.63 3hwx h ALA 551 Cb 1.09 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3hwx h ALA 551 CO -0.05 0.30 0.42 0.37 0.00 0.00 0.00 179.25 180.30 3hwx h GLN 552 N -0.70 0.67 0.00 0.00 4.15 -0.83 -2.74 115.11 115.66 3hwx h GLN 552 Ca -0.12 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3hwx h GLN 552 Cb 1.35 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 3hwx h GLN 552 CO 0.04 0.44 -0.25 0.28 -1.93 0.00 0.00 178.83 177.41 3hwx h VAL 553 N 0.69 0.46 0.00 2.39 2.07 -1.50 -2.87 116.25 117.48 3hwx h VAL 553 Ca 0.40 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3hwx h VAL 553 Cb 0.44 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3hwx h VAL 553 CO -0.28 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 176.01 3hwx n SER 554 N -3.19 0.00 -0.70 0.57 3.41 -1.04 -2.89 113.62 109.77 3hwx n SER 554 Ca 0.02 -0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.64 3hwx n SER 554 Cb 0.60 -0.30 0.12 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.30 0.23 1.50 7.33 8.25 -1.09 -4.59 115.22 125.56 3hwx n HIS 555 Ca 0.13 -0.18 0.14 0.00 -0.26 0.00 0.00 57.72 57.54 3hwx n HIS 555 Cb 0.23 -0.01 0.53 0.00 1.12 0.00 0.00 29.99 31.86 3hwx n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26