#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwx s SER 2 N 0.00 4.32 0.27 7.83 0.15 -1.26 -4.84 113.70 120.18 3hwx s SER 2 Ca 0.00 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.72 3hwx s SER 2 Cb 0.00 -2.54 0.62 0.00 -1.71 0.00 0.00 66.02 62.38 3hwx s SER 2 CO 0.00 -3.40 1.72 0.58 1.20 0.00 0.00 173.24 173.35 3hwx h VAL 3 N 7.55 0.59 -0.43 4.45 2.07 -1.96 -0.79 116.25 127.73 3hwx h VAL 3 Ca -0.03 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.41 3hwx h VAL 3 Cb 1.05 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 3hwx h VAL 3 CO 1.09 0.09 -0.22 0.28 0.02 0.00 0.00 177.57 178.83 3hwx h SER 4 N 0.48 -0.75 -0.56 0.57 0.02 -1.88 -1.54 113.55 109.90 3hwx h SER 4 Ca 0.50 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.58 3hwx h SER 4 Cb 0.85 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3hwx h SER 4 CO -0.45 -0.25 0.19 0.00 -1.14 0.00 0.00 176.83 175.18 3hwx h ALA 5 N 1.13 0.73 -0.11 3.77 0.00 -1.49 -2.81 119.26 120.47 3hwx h ALA 5 Ca 0.21 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3hwx h ALA 5 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hwx h ALA 5 CO -0.51 0.37 -0.60 0.35 0.00 0.00 0.00 179.25 178.86 3hwx h PHE 6 N 0.77 0.49 0.07 0.00 3.57 -1.33 -2.72 116.94 117.78 3hwx h PHE 6 Ca 0.18 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3hwx h PHE 6 Cb 0.26 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3hwx h PHE 6 CO 0.01 0.88 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.88 3hwx h ASN 7 N 0.28 -0.51 -0.81 0.41 2.35 -1.12 0.39 115.58 116.57 3hwx h ASN 7 Ca -0.00 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3hwx h ASN 7 Cb 1.12 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 3hwx h ASN 7 CO 0.10 -0.26 0.41 0.03 -1.65 0.00 0.00 177.43 176.07 3hwx h ARG 8 N -0.33 1.15 -0.13 0.81 3.08 -1.39 0.26 114.38 117.82 3hwx h ARG 8 Ca 0.04 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.95 3hwx h ARG 8 Cb 0.37 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hwx h ARG 8 CO -0.12 0.87 0.02 0.00 -1.07 0.00 0.00 179.97 179.66 3hwx h ARG 9 N 1.14 0.07 -0.99 0.04 3.08 -1.31 0.50 114.38 116.91 3hwx h ARG 9 Ca 0.28 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.39 3hwx h ARG 9 Cb 0.08 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 3hwx h ARG 9 CO -0.04 0.04 0.64 2.35 -1.07 0.00 0.00 179.97 181.89 3hwx h TRP 10 N 0.07 1.18 0.76 3.04 2.91 0.10 -2.50 115.95 121.52 3hwx h TRP 10 Ca 0.06 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.07 3hwx h TRP 10 Cb 0.06 -0.39 0.01 0.00 -0.51 0.00 0.00 29.16 28.33 3hwx h TRP 10 CO -0.13 0.61 -0.36 0.00 -1.03 0.00 0.00 178.44 177.52 3hwx h ALA 11 N 1.45 -1.02 -0.58 2.65 0.00 0.29 -3.09 119.26 118.96 3hwx h ALA 11 Ca 0.43 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.23 3hwx h ALA 11 Cb 0.17 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 3hwx h ALA 11 CO -0.17 -1.07 -0.13 0.00 0.00 0.00 0.00 179.25 177.88 3hwx n ALA 12 N -2.54 0.16 0.40 0.00 0.00 0.17 -1.37 120.51 117.33 3hwx n ALA 12 Ca -0.14 0.64 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 3hwx n ALA 12 Cb 0.41 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 3hwx n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hwx h VAL 13 N 0.00 0.00 -1.00 0.00 2.07 -1.38 0.22 116.25 116.16 3hwx h VAL 13 Ca 0.29 -0.14 0.22 0.00 0.82 0.00 0.00 66.70 67.88 3hwx h VAL 13 Cb 0.46 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.12 3hwx h VAL 13 CO -0.59 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.01 3hwx h ILE 14 N -1.16 0.64 -0.17 4.57 2.04 -1.19 0.26 117.51 122.49 3hwx h ILE 14 Ca -0.10 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 3hwx h ILE 14 Cb 0.78 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3hwx h ILE 14 CO 0.17 0.12 -0.35 -0.07 0.00 0.00 0.00 178.15 178.02 3hwx h LEU 15 N 0.64 0.60 0.28 1.44 3.38 -0.88 -3.12 115.31 117.65 3hwx h LEU 15 Ca 0.59 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hwx h LEU 15 Cb 1.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hwx h LEU 15 CO -0.38 1.04 -0.13 -0.08 0.09 0.00 0.00 178.44 178.98 3hwx h GLU 16 N 0.18 -0.36 -0.81 1.13 4.57 0.67 -1.75 114.58 118.21 3hwx h GLU 16 Ca 0.00 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 58.46 3hwx h GLU 16 Cb 0.95 0.08 -0.15 0.00 -0.16 0.00 0.00 28.75 29.47 3hwx h GLU 16 CO 0.08 -0.20 0.13 0.00 -1.18 0.00 0.00 179.01 177.84 3hwx n ALA 17 N -2.29 0.53 0.25 2.92 0.00 0.76 0.60 120.51 123.28 3hwx n ALA 17 Ca -0.10 0.86 0.14 0.00 0.00 0.00 0.00 53.44 54.34 3hwx n ALA 17 Cb 0.19 -0.69 0.51 0.00 0.00 0.00 0.00 19.45 19.46 3hwx n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hwx h LEU 18 N 0.00 0.00 -1.07 0.00 3.38 -1.26 -2.66 115.31 113.70 3hwx h LEU 18 Ca 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.48 3hwx h LEU 18 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3hwx h LEU 18 CO -0.72 0.08 0.21 0.74 0.09 0.00 0.00 178.44 178.84 3hwx h THR 19 N 0.00 1.22 0.00 0.22 2.02 0.23 -2.95 112.91 113.65 3hwx h THR 19 Ca -0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3hwx h THR 19 Cb 0.69 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3hwx h THR 19 CO 0.01 0.28 0.00 0.54 0.37 0.00 0.00 175.52 176.72 3hwx n ARG 20 N -4.31 0.12 -0.21 6.66 5.12 -1.00 -2.90 116.66 120.14 3hwx n ARG 20 Ca 0.05 0.35 0.09 0.00 -1.93 0.00 0.00 57.85 56.41 3hwx n ARG 20 Cb 0.18 -1.73 0.20 0.00 -1.16 0.00 0.00 32.46 29.96 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hwx n HIS 21 N -1.95 0.56 -0.39 -1.55 8.25 -1.12 -4.53 115.22 114.48 3hwx n HIS 21 Ca 0.03 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 3hwx n HIS 21 Cb 0.21 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hwx n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwx n GLY 22 N 1.07 0.86 3.63 -1.41 0.00 -1.14 -4.65 105.19 103.54 3hwx n GLY 22 Ca 0.16 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3hwx n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwx s VAL 23 N -2.00 4.67 -0.10 1.61 1.01 -1.19 -4.25 120.40 120.16 3hwx s VAL 23 Ca 0.00 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 3hwx s VAL 23 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 3hwx s VAL 23 CO 0.00 -0.33 -0.10 0.54 0.00 0.00 0.00 175.10 175.21 3hwx n ARG 24 N 6.47 0.23 -3.02 2.72 1.74 -1.26 -4.61 116.66 118.92 3hwx n ARG 24 Ca 0.08 0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 3hwx n ARG 24 Cb 0.48 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.80 3hwx n ARG 24 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hwx s HIS 25 N -2.19 3.78 -0.08 -1.55 3.76 -1.26 0.23 115.29 117.97 3hwx s HIS 25 Ca -0.13 1.47 -0.00 0.00 -0.15 0.00 0.00 55.06 56.25 3hwx s HIS 25 Cb 0.04 -2.77 0.02 0.00 1.11 0.00 0.00 32.58 30.99 3hwx s HIS 25 CO 0.21 0.36 -0.05 -1.50 -0.85 0.00 0.00 174.74 172.90 3hwx s ILE 26 N -0.39 0.71 -0.24 0.60 2.07 0.22 -1.29 121.20 122.89 3hwx s ILE 26 Ca 0.37 -0.14 -0.08 0.00 -1.41 0.00 0.00 60.65 59.38 3hwx s ILE 26 Cb -0.21 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 3hwx s ILE 26 CO 0.23 0.30 0.10 0.00 -1.91 0.00 0.00 174.94 173.66 3hwx s ILE 28 N 1.33 0.98 -0.07 0.00 1.01 0.33 -0.33 121.20 124.45 3hwx s ILE 28 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3hwx s ILE 28 Cb -0.15 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3hwx s ILE 28 CO 0.05 0.34 -0.07 0.00 0.00 0.00 0.00 174.94 175.26 3hwx s ALA 29 N 1.22 2.96 0.82 9.38 0.00 -0.67 -2.81 121.76 132.66 3hwx s ALA 29 Ca -0.04 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3hwx s ALA 29 Cb -0.14 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 3hwx s ALA 29 CO -0.03 0.54 0.51 -0.35 0.00 0.00 0.00 175.76 176.43 3hwx n PRO 30 N 2.35 0.07 -3.33 0.00 -0.04 -1.26 -4.55 135.00 128.23 3hwx n PRO 30 Ca -0.18 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3hwx n PRO 30 Cb 0.53 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 1.55 -1.60 0.41 0.55 0.00 -1.26 -4.44 105.19 100.40 3hwx n GLY 31 Ca 0.09 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 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 1.00 1.42 0.29 1.61 2.88 -1.26 -4.50 113.62 115.06 3hwx n SER 32 Ca 0.00 0.18 0.17 0.00 -1.33 0.00 0.00 58.87 57.89 3hwx n SER 32 Cb 0.00 -0.49 0.83 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.56 0.00 -0.08 -1.46 9.65 -1.97 -1.90 114.38 118.05 3hwx h ARG 33 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3hwx h ARG 33 Cb 1.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 3hwx h ARG 33 CO -0.25 0.06 0.00 -1.13 2.80 0.00 0.00 179.97 181.45 3hwx n SER 34 N -3.30 0.91 -0.28 -3.80 3.41 -1.26 -4.39 113.62 104.91 3hwx n SER 34 Ca -0.01 -1.55 0.16 0.00 -0.26 0.00 0.00 58.87 57.20 3hwx n SER 34 Cb 0.23 -0.05 0.43 0.00 -0.26 0.00 0.00 64.21 64.55 3hwx n SER 34 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hwx h THR 35 N 1.24 0.73 0.08 6.66 2.02 -1.57 -1.14 112.91 120.93 3hwx h THR 35 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3hwx h THR 35 Cb 0.27 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3hwx h THR 35 CO 0.00 0.11 -0.27 -0.07 0.37 0.00 0.00 175.52 175.66 3hwx h LEU 36 N 0.58 -0.80 -0.62 2.58 3.38 -1.83 0.80 115.31 119.41 3hwx h LEU 36 Ca 0.49 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.40 3hwx h LEU 36 Cb 0.99 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3hwx h LEU 36 CO -0.24 -0.29 -0.46 -0.07 0.09 0.00 0.00 178.44 177.48 3hwx h LEU 37 N -0.40 0.60 -1.12 1.67 3.38 -1.73 -2.46 115.31 115.25 3hwx h LEU 37 Ca -0.01 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3hwx h LEU 37 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hwx h LEU 37 CO -0.13 0.97 -0.14 0.74 0.09 0.00 0.00 178.44 179.96 3hwx h THR 38 N 0.45 1.23 0.52 0.22 2.02 -1.06 0.87 112.91 117.16 3hwx h THR 38 Ca 0.03 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3hwx h THR 38 Cb 0.97 1.19 0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3hwx h THR 38 CO 0.09 0.33 -0.25 -0.07 0.37 0.00 0.00 175.52 175.99 3hwx h LEU 39 N 0.42 -0.59 -0.14 2.58 3.38 -0.54 -1.50 115.31 118.92 3hwx h LEU 39 Ca 0.08 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hwx h LEU 39 Cb 0.50 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3hwx h LEU 39 CO 0.03 -0.23 -0.32 0.00 0.09 0.00 0.00 178.44 178.00 3hwx h ALA 40 N -0.74 -0.37 -0.85 1.53 0.00 -1.31 0.33 119.26 117.85 3hwx h ALA 40 Ca -0.07 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hwx h ALA 40 Cb 0.62 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 3hwx h ALA 40 CO 0.12 -0.80 -0.56 0.00 0.00 0.00 0.00 179.25 178.01 3hwx h ALA 41 N 0.42 -0.54 -0.18 0.00 0.00 -0.93 -1.92 119.26 116.10 3hwx h ALA 41 Ca 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hwx h ALA 41 Cb 0.55 1.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3hwx h ALA 41 CO -0.36 -0.96 -0.04 0.00 0.00 0.00 0.00 179.25 177.89 3hwx h ALA 42 N 0.45 1.60 0.00 0.00 0.00 0.22 -1.95 119.26 119.58 3hwx h ALA 42 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hwx h ALA 42 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hwx h ALA 42 CO -0.85 0.30 -0.10 0.39 0.00 0.00 0.00 179.25 178.98 3hwx n GLU 43 N -4.34 0.12 -3.21 0.00 1.02 0.93 -4.81 120.64 110.36 3hwx n GLU 43 Ca -0.00 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 3hwx n GLU 43 Cb 0.21 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 3hwx n GLU 43 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hwx s ASN 44 N -3.68 6.29 0.00 1.62 3.84 -0.73 -4.94 114.94 117.33 3hwx s ASN 44 Ca 0.12 -0.34 0.03 0.00 0.21 0.00 0.00 52.86 52.88 3hwx s ASN 44 Cb 0.16 -2.28 0.12 0.00 -0.55 0.00 0.00 41.25 38.70 3hwx s ASN 44 CO 0.59 -0.63 1.09 -1.54 -2.79 0.00 0.00 177.10 173.81 3hwx n SER 45 N 5.92 0.30 0.00 -4.21 3.41 -1.26 -3.33 113.62 114.45 3hwx n SER 45 Ca -0.04 -1.96 0.15 0.00 -0.26 0.00 0.00 58.87 56.76 3hwx n SER 45 Cb 0.48 -0.04 0.83 0.00 -0.26 0.00 0.00 64.21 65.22 3hwx n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n ALA 46 N -0.35 2.55 -2.46 7.33 0.00 -1.26 -4.93 120.51 121.38 3hwx n ALA 46 Ca 0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 3hwx n ALA 46 Cb 0.05 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 17.89 3hwx n ALA 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hwx s PHE 47 N -2.34 2.46 -0.15 0.00 0.08 -1.21 -4.69 117.98 112.13 3hwx s PHE 47 Ca 0.36 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.02 3hwx s PHE 47 Cb 0.21 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3hwx s PHE 47 CO 0.42 0.38 0.15 0.42 -0.10 0.00 0.00 175.22 176.48 3hwx s ILE 48 N -1.15 5.46 -0.19 0.64 1.01 0.13 -4.97 121.20 122.12 3hwx s ILE 48 Ca 0.17 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 3hwx s ILE 48 Cb -0.10 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3hwx s ILE 48 CO 0.09 0.54 0.14 -1.00 0.00 0.00 0.00 174.94 174.71 3hwx s HIS 49 N -0.44 3.43 0.09 3.97 3.76 -1.26 -0.61 115.29 124.23 3hwx s HIS 49 Ca 0.12 0.36 0.10 0.00 -0.15 0.00 0.00 55.06 55.49 3hwx s HIS 49 Cb -0.12 -2.15 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 3hwx s HIS 49 CO 0.02 0.32 -0.25 -1.01 -0.85 0.00 0.00 174.74 172.96 3hwx s HIS 50 N 0.27 2.19 -0.02 1.40 3.76 0.79 -4.96 115.29 118.72 3hwx s HIS 50 Ca 0.09 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 3hwx s HIS 50 Cb -0.11 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.34 3hwx s HIS 50 CO -0.01 0.23 -0.13 0.95 -0.85 0.00 0.00 174.74 174.93 3hwx s THR 51 N -0.97 1.10 -0.08 1.30 -4.23 -1.26 -0.51 115.64 110.99 3hwx s THR 51 Ca 0.12 -0.56 -0.22 0.00 -1.18 0.00 0.00 61.69 59.85 3hwx s THR 51 Cb -0.10 -0.94 0.05 0.00 1.34 0.00 0.00 72.50 72.85 3hwx s THR 51 CO 0.04 0.32 0.51 -2.28 -0.54 0.00 0.00 174.62 172.67 3hwx s HIS 52 N -0.07 -0.47 -0.01 3.99 5.04 -1.12 -4.97 115.29 117.67 3hwx s HIS 52 Ca 0.00 0.91 0.05 0.00 -1.54 0.00 0.00 55.06 54.48 3hwx s HIS 52 Cb -0.08 0.24 -0.24 0.00 0.04 0.00 0.00 32.58 32.54 3hwx s HIS 52 CO 0.00 -0.45 0.81 0.27 -2.34 0.00 0.00 174.74 173.04 3hwx h PHE 53 N 3.92 0.18 -3.39 3.88 -5.15 -1.98 -3.37 116.94 111.04 3hwx h PHE 53 Ca -0.28 -0.13 -0.60 0.00 -0.20 0.00 0.00 57.97 56.75 3hwx h PHE 53 Cb 1.16 -0.01 -0.10 0.00 0.22 0.00 0.00 35.95 37.23 3hwx h PHE 53 CO 0.44 1.19 0.43 0.34 -2.00 0.00 0.00 178.31 178.71 3hwx s ASP 54 N -6.57 6.72 0.39 -0.68 -1.08 -1.26 -4.86 116.67 109.33 3hwx s ASP 54 Ca -0.07 0.79 0.20 0.00 -0.52 0.00 0.00 52.55 52.95 3hwx s ASP 54 Cb 0.08 -2.42 0.78 0.00 -1.46 0.00 0.00 42.92 39.90 3hwx s ASP 54 CO 0.83 -0.59 1.78 -0.33 0.52 0.00 0.00 175.17 177.38 3hwx h GLU 55 N 7.98 0.00 0.24 4.34 3.07 -1.88 0.18 114.58 128.50 3hwx h GLU 55 Ca -0.24 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 3hwx h GLU 55 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3hwx h GLU 55 CO 0.88 0.34 -0.11 -0.09 -1.40 0.00 0.00 179.01 178.63 3hwx h ARG 56 N 0.00 -0.31 -0.85 2.33 2.43 -1.89 -1.47 114.38 114.62 3hwx h ARG 56 Ca -0.00 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.39 3hwx h ARG 56 Cb 0.81 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.31 3hwx h ARG 56 CO 0.04 0.05 0.32 0.78 -1.51 0.00 0.00 179.97 179.65 3hwx h GLY 57 N -0.90 1.36 0.58 2.80 0.00 -1.86 -1.60 103.07 103.46 3hwx h GLY 57 Ca -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3hwx h GLY 57 CO 0.05 -0.24 -0.24 -2.00 0.00 0.00 0.00 176.54 174.11 3hwx h LEU 58 N 0.36 -0.68 -1.15 3.11 5.85 -0.83 1.00 115.31 122.98 3hwx h LEU 58 Ca 0.51 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.43 3hwx h LEU 58 Cb 0.94 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 3hwx h LEU 58 CO -0.53 -0.33 0.60 1.23 -0.34 0.00 0.00 178.44 179.07 3hwx h GLY 59 N -0.44 1.41 2.00 3.75 0.00 -0.95 0.41 103.07 109.25 3hwx h GLY 59 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3hwx h GLY 59 CO -0.14 0.16 -0.08 0.45 0.00 0.00 0.00 176.54 176.93 3hwx h HIS 60 N 0.88 0.00 -0.09 5.60 3.86 -0.17 0.10 115.15 125.33 3hwx h HIS 60 Ca 0.46 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.66 3hwx h HIS 60 Cb 0.53 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3hwx h HIS 60 CO -0.00 0.08 0.01 1.25 0.86 0.00 0.00 177.93 180.13 3hwx h LEU 61 N 0.00 0.14 -0.56 2.43 5.85 0.27 -1.15 115.31 122.29 3hwx h LEU 61 Ca -0.00 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3hwx h LEU 61 Cb 1.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3hwx h LEU 61 CO 0.01 0.36 0.15 0.00 -0.34 0.00 0.00 178.44 178.62 3hwx h ALA 62 N 0.78 0.74 0.12 1.25 0.00 -0.80 -1.13 119.26 120.22 3hwx h ALA 62 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 62 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hwx h ALA 62 CO 0.00 0.43 -0.19 1.25 0.00 0.00 0.00 179.25 180.75 3hwx h LEU 63 N 0.80 -0.52 -0.39 0.00 5.85 -0.79 -0.34 115.31 119.93 3hwx h LEU 63 Ca 0.18 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.04 3hwx h LEU 63 Cb 0.33 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 3hwx h LEU 63 CO 0.00 -0.27 -0.18 1.23 -0.34 0.00 0.00 178.44 178.88 3hwx h GLY 64 N -0.37 0.11 1.23 3.75 0.00 -0.93 0.18 103.07 107.03 3hwx h GLY 64 Ca 0.02 0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.66 3hwx h GLY 64 CO -0.09 -0.19 0.33 1.41 0.00 0.00 0.00 176.54 178.00 3hwx h LEU 65 N -0.11 0.29 0.17 3.11 3.38 -1.02 -2.96 115.31 118.17 3hwx h LEU 65 Ca 0.19 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.84 3hwx h LEU 65 Cb 0.40 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hwx h LEU 65 CO -0.46 0.18 -1.64 0.00 0.09 0.00 0.00 178.44 176.62 3hwx h ALA 66 N 1.75 0.15 -0.65 1.53 0.00 0.46 -2.23 119.26 120.28 3hwx h ALA 66 Ca 0.22 -1.12 0.11 0.00 0.00 0.00 0.00 54.91 54.12 3hwx h ALA 66 Cb 0.45 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 3hwx h ALA 66 CO -0.05 0.95 -0.35 -0.22 0.00 0.00 0.00 179.25 179.58 3hwx h LYS 67 N -0.02 -0.14 0.27 0.00 3.64 -0.66 -0.26 116.57 119.39 3hwx h LYS 67 Ca -0.33 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 3hwx h LYS 67 Cb 1.99 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 3hwx h LYS 67 CO 0.14 -0.09 -0.13 0.28 -2.27 0.00 0.00 179.45 177.38 3hwx h VAL 68 N -0.14 0.69 0.00 2.00 2.07 -1.63 -3.36 116.25 115.88 3hwx h VAL 68 Ca 0.24 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hwx h VAL 68 Cb 0.56 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3hwx h VAL 68 CO -0.73 0.14 0.00 0.77 0.02 0.00 0.00 177.57 177.78 3hwx h SER 69 N -0.83 0.00 -0.56 0.57 4.64 -1.01 -3.46 113.55 112.90 3hwx h SER 69 Ca -0.04 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.04 3hwx h SER 69 Cb 0.51 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.51 3hwx h SER 69 CO 0.06 0.00 -0.22 0.29 -0.87 0.00 0.00 176.83 176.09 3hwx n LYS 70 N -2.67 -1.47 -3.04 4.77 4.76 -0.14 -4.99 118.16 115.38 3hwx n LYS 70 Ca 0.04 0.89 -0.22 0.00 -2.87 0.00 0.00 58.31 56.15 3hwx n LYS 70 Cb 0.44 -5.19 0.01 0.00 -1.84 0.00 0.00 35.03 28.44 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 -2.91 3.04 0.43 1.97 -0.21 -1.26 -5.00 119.66 115.72 3hwx s GLN 71 Ca 0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 55.36 54.58 3hwx s GLN 71 Cb 0.00 -2.59 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 3hwx s GLN 71 CO 0.00 -0.25 1.02 -1.25 -2.12 0.00 0.00 175.29 172.70 3hwx s PRO 72 N -4.51 4.08 0.02 2.91 0.04 -1.26 -4.36 135.00 131.92 3hwx s PRO 72 Ca 0.48 1.38 0.08 0.00 0.04 0.00 0.00 61.00 62.99 3hwx s PRO 72 Cb -0.10 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3hwx s PRO 72 CO 0.37 -0.20 -0.24 0.08 0.04 0.00 0.00 177.00 177.06 3hwx s VAL 73 N -1.85 1.90 0.03 -0.36 1.01 0.04 -4.16 120.40 117.02 3hwx s VAL 73 Ca 0.61 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3hwx s VAL 73 Cb -0.18 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3hwx s VAL 73 CO 0.22 0.38 0.25 0.00 0.00 0.00 0.00 175.10 175.96 3hwx s ALA 74 N -0.71 3.89 -0.02 5.51 0.00 -0.41 -0.09 121.76 129.93 3hwx s ALA 74 Ca 0.10 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3hwx s ALA 74 Cb -0.09 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3hwx s ALA 74 CO 0.01 0.71 -0.04 0.08 0.00 0.00 0.00 175.76 176.52 3hwx s VAL 75 N -1.40 0.39 -0.20 0.00 1.01 0.11 -0.24 120.40 120.08 3hwx s VAL 75 Ca 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3hwx s VAL 75 Cb -0.13 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.89 3hwx s VAL 75 CO 0.20 0.16 -0.12 -0.63 0.00 0.00 0.00 175.10 174.71 3hwx s ILE 76 N 0.53 1.77 0.27 2.22 1.01 0.55 -0.03 121.20 127.52 3hwx s ILE 76 Ca -0.06 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 59.62 3hwx s ILE 76 Cb -0.09 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 3hwx s ILE 76 CO -0.00 0.24 -0.07 0.68 0.00 0.00 0.00 174.94 175.78 3hwx s VAL 77 N 1.35 1.65 0.81 2.92 -7.23 -1.11 -1.67 120.40 117.13 3hwx s VAL 77 Ca -0.01 -2.14 -0.06 0.00 -1.81 0.00 0.00 61.98 57.97 3hwx s VAL 77 Cb -0.16 -2.39 0.17 0.00 0.56 0.00 0.00 36.38 34.56 3hwx s VAL 77 CO -0.09 -0.34 1.11 1.07 -0.31 0.00 0.00 175.10 176.55 3hwx n THR 78 N -0.55 0.00 -2.49 5.32 5.66 -1.26 -2.38 114.28 118.57 3hwx n THR 78 Ca -0.06 -1.38 -0.34 0.00 -3.05 0.00 0.00 64.05 59.22 3hwx n THR 78 Cb 0.63 -1.10 -0.03 0.00 -1.55 0.00 0.00 70.33 68.28 3hwx n THR 78 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3hwx s SER 79 N -5.35 6.27 0.00 1.09 1.04 -1.16 -4.20 113.70 111.40 3hwx s SER 79 Ca 0.70 1.98 0.00 0.00 0.48 0.00 0.00 55.95 59.11 3hwx s SER 79 Cb -0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3hwx s SER 79 CO 0.47 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3hwx n GLY 80 N -0.13 0.23 0.13 7.32 0.00 -1.25 -4.45 105.19 107.03 3hwx n GLY 80 Ca 0.09 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.20 3hwx n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwx n THR 81 N 0.06 0.94 0.17 2.61 -2.24 -1.26 -2.15 114.28 112.41 3hwx n THR 81 Ca 0.00 0.39 0.15 0.00 -2.27 0.00 0.00 64.05 62.32 3hwx n THR 81 Cb 0.00 -1.34 0.73 0.00 -2.10 0.00 0.00 70.33 67.62 3hwx n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwx h ALA 82 N 2.19 2.06 0.18 6.98 0.00 -1.81 -0.63 119.26 128.23 3hwx h ALA 82 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3hwx h ALA 82 Cb 0.24 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hwx h ALA 82 CO 0.00 -0.29 -1.36 0.28 0.00 0.00 0.00 179.25 177.88 3hwx h VAL 83 N 0.00 1.39 -0.59 0.00 2.07 -1.60 -3.22 116.25 114.29 3hwx h VAL 83 Ca 0.10 -2.91 0.01 0.00 0.82 0.00 0.00 66.70 64.73 3hwx h VAL 83 Cb 0.45 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 3hwx h VAL 83 CO -0.00 0.86 0.39 0.00 0.02 0.00 0.00 177.57 178.84 3hwx h ALA 84 N 0.41 1.59 0.00 1.67 0.00 -1.23 -2.29 119.26 119.42 3hwx h ALA 84 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hwx h ALA 84 Cb 2.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3hwx h ALA 84 CO 0.23 0.37 0.00 -0.91 0.00 0.00 0.00 179.25 178.94 3hwx h ASN 85 N 0.79 0.00 1.65 0.00 2.35 -1.44 -1.32 115.58 117.61 3hwx h ASN 85 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hwx h ASN 85 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3hwx h ASN 85 CO -0.05 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.47 3hwx h LEU 86 N 0.00 0.00 -0.49 1.61 3.38 -1.55 -3.22 115.31 115.04 3hwx h LEU 86 Ca 0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3hwx h LEU 86 Cb 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3hwx h LEU 86 CO 0.00 0.01 -0.48 0.22 0.09 0.00 0.00 178.44 178.28 3hwx h TYR 87 N 0.00 -1.44 -0.55 1.13 5.03 -1.36 -2.11 116.97 117.66 3hwx h TYR 87 Ca 0.00 0.08 0.10 0.00 2.58 0.00 0.00 58.73 61.49 3hwx h TYR 87 Cb 0.92 0.70 -0.11 0.00 1.55 0.00 0.00 36.73 39.79 3hwx h TYR 87 CO 0.00 -0.45 -0.28 -1.35 -1.32 0.00 0.00 178.16 174.76 3hwx h PRO 88 N -0.30 -0.14 -0.37 1.82 0.11 -1.79 0.34 132.00 131.67 3hwx h PRO 88 Ca 0.13 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3hwx h PRO 88 Cb 0.58 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3hwx h PRO 88 CO -0.64 -0.09 -0.24 0.00 -0.21 0.00 0.00 178.00 176.82 3hwx h ALA 89 N 1.12 0.89 -0.81 -0.75 0.00 -1.73 -0.83 119.26 117.15 3hwx h ALA 89 Ca 0.24 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hwx h ALA 89 Cb 0.52 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hwx h ALA 89 CO -0.63 0.63 0.54 1.25 0.00 0.00 0.00 179.25 181.03 3hwx h LEU 90 N 0.65 0.91 -0.03 0.00 5.85 -1.04 0.20 115.31 121.85 3hwx h LEU 90 Ca 0.09 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3hwx h LEU 90 Cb 0.74 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hwx h LEU 90 CO 0.06 0.65 -0.11 0.40 -0.34 0.00 0.00 178.44 179.10 3hwx h ILE 91 N 1.07 1.48 -0.36 4.05 2.04 -0.15 -1.76 117.51 123.88 3hwx h ILE 91 Ca 0.30 -1.58 0.04 0.00 1.00 0.00 0.00 64.86 64.62 3hwx h ILE 91 Cb -0.08 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3hwx h ILE 91 CO -0.07 0.43 0.12 -0.08 0.00 0.00 0.00 178.15 178.55 3hwx h GLU 92 N -0.46 0.27 -0.44 2.37 4.57 -1.05 -1.07 114.58 118.76 3hwx h GLU 92 Ca -0.01 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.29 3hwx h GLU 92 Cb 0.75 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 3hwx h GLU 92 CO 0.02 0.18 0.33 0.00 -1.18 0.00 0.00 179.01 178.36 3hwx h ALA 93 N 1.23 2.39 -0.50 2.92 0.00 -0.52 -1.64 119.26 123.14 3hwx h ALA 93 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3hwx h ALA 93 Cb 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hwx h ALA 93 CO -0.16 -0.55 -0.11 0.78 0.00 0.00 0.00 179.25 179.20 3hwx h GLY 94 N 0.00 1.04 0.93 0.00 0.00 -0.26 -1.07 103.07 103.70 3hwx h GLY 94 Ca 0.21 -0.85 -0.23 0.00 0.00 0.00 0.00 47.33 46.46 3hwx h GLY 94 CO -0.00 0.78 -0.99 1.41 0.00 0.00 0.00 176.54 177.74 3hwx h LEU 95 N 0.81 0.64 0.00 3.11 3.38 -1.19 -3.39 115.31 118.68 3hwx h LEU 95 Ca 0.13 -0.88 -0.11 0.00 0.09 0.00 0.00 57.88 57.10 3hwx h LEU 95 Cb 0.67 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hwx h LEU 95 CO 0.05 1.47 -1.97 0.35 0.09 0.00 0.00 178.44 178.42 3hwx n THR 96 N -4.00 0.53 0.00 0.22 -2.24 -0.85 -5.03 114.28 102.92 3hwx n THR 96 Ca -0.14 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hwx n THR 96 Cb 0.88 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.40 1.46 3.59 3.38 0.00 -0.41 -5.00 105.19 109.60 3hwx n GLY 97 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 1.04 -3.24 1.61 4.71 -1.23 -0.72 120.64 122.81 3hwx n GLU 98 Ca 0.00 0.39 -0.44 0.00 -0.01 0.00 0.00 57.16 57.10 3hwx n GLU 98 Cb 0.00 -2.04 -0.07 0.00 -1.01 0.00 0.00 31.44 28.33 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 -2.32 3.07 -0.19 3.49 1.02 -1.25 -1.21 119.74 122.36 3hwx s LYS 99 Ca 0.69 -1.06 -0.07 0.00 0.02 0.00 0.00 55.97 55.55 3hwx s LYS 99 Cb -0.48 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 32.68 3hwx s LYS 99 CO 0.53 -1.16 0.06 -0.51 -0.92 0.00 0.00 175.35 173.35 3hwx s LEU 100 N 2.28 3.77 -0.34 3.17 1.43 -1.10 -0.78 118.68 127.12 3hwx s LEU 100 Ca 0.11 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 3hwx s LEU 100 Cb -0.21 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.09 3hwx s LEU 100 CO 0.10 0.15 0.10 -0.63 0.23 0.00 0.00 176.35 176.30 3hwx s ILE 101 N 0.51 3.66 -0.43 -0.59 -1.09 0.87 0.37 121.20 124.50 3hwx s ILE 101 Ca 0.03 -1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 57.10 3hwx s ILE 101 Cb -0.13 -3.09 0.04 0.00 -1.58 0.00 0.00 42.46 37.70 3hwx s ILE 101 CO 0.01 -0.19 0.33 -0.76 -1.23 0.00 0.00 174.94 173.10 3hwx s LEU 102 N 1.37 5.29 -0.49 2.97 1.43 0.11 0.06 118.68 129.42 3hwx s LEU 102 Ca -0.02 -1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 51.87 3hwx s LEU 102 Cb -0.20 -2.16 0.09 0.00 0.03 0.00 0.00 46.19 43.95 3hwx s LEU 102 CO 0.02 -0.52 0.42 -0.76 0.23 0.00 0.00 176.35 175.74 3hwx s LEU 103 N 1.66 5.76 -0.26 1.79 1.43 0.96 -0.47 118.68 129.56 3hwx s LEU 103 Ca 0.05 -1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 51.66 3hwx s LEU 103 Cb -0.21 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.86 3hwx s LEU 103 CO 0.09 -0.70 -0.05 0.42 0.23 0.00 0.00 176.35 176.34 3hwx s THR 104 N 1.62 2.91 0.38 5.49 -4.23 -0.57 -2.77 115.64 118.47 3hwx s THR 104 Ca 0.04 -1.08 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 3hwx s THR 104 Cb -0.26 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 3hwx s THR 104 CO 0.05 0.14 1.33 0.00 -0.54 0.00 0.00 174.62 175.61 3hwx s ALA 105 N 1.32 3.37 0.09 3.99 0.00 -1.00 -0.21 121.76 129.32 3hwx s ALA 105 Ca -0.01 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 3hwx s ALA 105 Cb -0.17 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.46 3hwx s ALA 105 CO -0.04 -0.80 0.28 0.34 0.00 0.00 0.00 175.76 175.54 3hwx s ASP 106 N -0.58 -0.04 0.63 0.00 2.15 -0.83 -2.97 116.67 115.04 3hwx s ASP 106 Ca 0.54 -0.46 -0.14 0.00 0.43 0.00 0.00 52.55 52.92 3hwx s ASP 106 Cb -0.40 0.38 -0.02 0.00 -0.30 0.00 0.00 42.92 42.59 3hwx s ASP 106 CO 0.52 -0.74 1.06 -0.13 -0.17 0.00 0.00 175.17 175.70 3hwx s ARG 107 N -3.58 3.16 0.78 4.34 1.81 -1.26 -1.41 118.95 122.80 3hwx s ARG 107 Ca 0.02 1.12 -0.12 0.00 -1.72 0.00 0.00 55.73 55.03 3hwx s ARG 107 Cb 0.03 -2.01 0.07 0.00 -0.45 0.00 0.00 34.95 32.58 3hwx s ARG 107 CO -0.10 -0.93 1.13 -1.25 -0.68 0.00 0.00 175.30 173.47 3hwx s PRO 108 N -4.42 1.99 0.22 3.54 0.04 -1.24 -4.57 135.00 130.55 3hwx s PRO 108 Ca 0.62 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 3hwx s PRO 108 Cb -0.15 -1.85 0.23 0.00 0.04 0.00 0.00 34.50 32.77 3hwx s PRO 108 CO 0.43 -1.88 1.59 -1.00 0.04 0.00 0.00 177.00 176.18 3hwx h PRO 109 N -0.97 -0.06 -0.62 0.56 0.13 -1.96 -0.26 132.00 128.82 3hwx h PRO 109 Ca -0.45 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.87 3hwx h PRO 109 Cb 1.26 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3hwx h PRO 109 CO 0.49 -0.04 0.87 0.93 -0.23 0.00 0.00 178.00 180.01 3hwx h GLU 110 N -0.07 0.00 -0.17 0.86 3.07 -2.03 -1.23 114.58 115.02 3hwx h GLU 110 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3hwx h GLU 110 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3hwx h GLU 110 CO -0.78 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.11 3hwx n LEU 111 N -3.26 2.98 -4.84 1.33 4.77 -0.11 -4.94 117.00 112.93 3hwx n LEU 111 Ca 0.13 -1.22 -0.38 0.00 -0.03 0.00 0.00 56.01 54.51 3hwx n LEU 111 Cb 1.07 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 42.01 3hwx n LEU 111 CO 0.21 0.57 0.02 -0.63 -1.33 0.00 0.00 177.39 176.23 3hwx s ILE 112 N -1.59 5.19 -1.30 -0.08 -1.09 -0.47 -4.39 121.20 117.48 3hwx s ILE 112 Ca 0.29 0.64 -0.08 0.00 -2.23 0.00 0.00 60.65 59.28 3hwx s ILE 112 Cb 0.19 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 3hwx s ILE 112 CO 0.27 0.57 1.00 0.47 -1.23 0.00 0.00 174.94 176.02 3hwx n ASP 113 N 2.06 -6.05 -2.49 3.58 8.00 -1.26 -4.95 116.55 115.43 3hwx n ASP 113 Ca -0.15 -0.46 -0.00 0.00 0.71 0.00 0.00 54.79 54.89 3hwx n ASP 113 Cb 0.53 -4.70 0.06 0.00 -0.02 0.00 0.00 41.12 36.98 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 -0.64 1.37 3.76 0.00 0.00 -1.26 -4.97 105.19 103.45 3hwx n GLY 115 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3hwx n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx s ALA 116 N -2.20 3.29 0.42 4.61 0.00 -1.26 -4.98 121.76 121.65 3hwx s ALA 116 Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 3hwx s ALA 116 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 3hwx s ALA 116 CO 0.00 -0.05 1.46 -1.71 0.00 0.00 0.00 175.76 175.46 3hwx n ASN 117 N 0.89 3.51 0.00 0.00 2.85 -1.26 -3.06 115.26 118.20 3hwx n ASN 117 Ca 0.00 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 3hwx n ASN 117 Cb 0.47 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.88 3hwx n ASN 117 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hwx n GLN 118 N 0.04 -0.66 -3.66 1.20 6.02 -1.26 -4.96 117.38 114.11 3hwx n GLN 118 Ca 0.04 0.16 -0.36 0.00 -0.01 0.00 0.00 57.00 56.84 3hwx n GLN 118 Cb 0.40 -3.99 -0.08 0.00 1.02 0.00 0.00 30.24 27.60 3hwx n GLN 118 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwx s ALA 119 N -1.75 3.65 0.19 -1.58 0.00 -1.17 -3.92 121.76 117.17 3hwx s ALA 119 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3hwx s ALA 119 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3hwx s ALA 119 CO 0.00 0.11 0.19 0.96 0.00 0.00 0.00 175.76 177.03 3hwx s ILE 120 N 0.44 0.03 -0.48 0.00 -4.36 -1.26 -4.87 121.20 110.71 3hwx s ILE 120 Ca 0.11 -1.78 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 3hwx s ILE 120 Cb -0.12 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.38 3hwx s ILE 120 CO 0.00 -0.16 1.31 -0.13 0.24 0.00 0.00 174.94 176.21 3hwx s ARG 121 N -4.08 3.55 -0.22 0.37 0.52 -1.26 -4.91 118.95 112.93 3hwx s ARG 121 Ca 0.29 0.66 0.11 0.00 -0.52 0.00 0.00 55.73 56.27 3hwx s ARG 121 Cb 0.05 -4.01 -0.22 0.00 0.52 0.00 0.00 34.95 31.29 3hwx s ARG 121 CO 0.07 -1.60 -0.02 1.04 0.02 0.00 0.00 175.30 174.80 3hwx n GLN 122 N 8.17 0.67 -1.71 3.54 6.02 -1.26 -4.63 117.38 128.19 3hwx n GLN 122 Ca 0.14 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 3hwx n GLN 122 Cb 0.49 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.21 3hwx n GLN 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3hwx n PRO 123 N -2.98 2.14 -1.02 -1.09 -0.02 -1.26 -1.37 135.00 129.40 3hwx n PRO 123 Ca -0.38 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 61.83 3hwx n PRO 123 Cb 1.09 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 3hwx n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwx n GLY 124 N 0.73 0.28 0.31 -1.23 0.00 -1.26 -4.88 105.19 99.14 3hwx n GLY 124 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3hwx n GLY 124 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3hwx h MET 125 N 0.00 0.26 -0.56 1.61 2.86 -1.48 -2.16 114.93 115.46 3hwx h MET 125 Ca -0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3hwx h MET 125 Cb 0.98 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3hwx h MET 125 CO 0.09 0.17 0.00 1.19 1.06 0.00 0.00 176.91 179.42 3hwx n PHE 126 N -5.16 0.85 -0.65 -0.22 3.72 -1.26 -5.02 117.46 109.73 3hwx n PHE 126 Ca 0.23 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hwx n PHE 126 Cb 0.72 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.63 0.00 1.73 4.37 0.00 -0.81 -1.60 120.51 124.82 3hwx n ALA 127 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 3hwx n ALA 127 Cb 0.55 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.10 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 1.07 0.47 0.06 0.00 3.41 -1.26 -4.42 113.62 112.94 3hwx n SER 128 Ca 0.00 -1.93 -0.05 0.00 -0.26 0.00 0.00 58.87 56.64 3hwx n SER 128 Cb 0.00 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.52 0.00 -3.78 7.33 -0.00 -1.71 -3.44 115.15 114.07 3hwx h HIS 129 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 60.37 59.91 3hwx h HIS 129 Cb 0.12 0.00 0.10 0.00 -0.00 0.00 0.00 27.41 27.63 3hwx h HIS 129 CO 0.05 0.85 0.29 -1.25 -0.00 0.00 0.00 177.93 177.87 3hwx s PRO 130 N -2.76 1.72 -0.04 2.45 0.04 -1.26 -4.57 135.00 130.58 3hwx s PRO 130 Ca 0.00 -0.33 0.10 0.00 0.04 0.00 0.00 61.00 60.81 3hwx s PRO 130 Cb 0.09 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.32 3hwx s PRO 130 CO 0.80 -1.61 0.69 1.15 0.04 0.00 0.00 177.00 178.08 3hwx h THR 131 N -0.92 0.90 -3.59 1.26 2.02 -0.67 -3.47 112.91 108.44 3hwx h THR 131 Ca -0.44 -2.73 -0.21 0.00 0.77 0.00 0.00 66.41 63.81 3hwx h THR 131 Cb 1.29 2.47 -0.27 0.00 -1.74 0.00 0.00 68.15 69.90 3hwx h THR 131 CO 0.54 0.57 -0.64 -1.00 0.37 0.00 0.00 175.52 175.35 3hwx s HIS 132 N -2.60 -0.05 -0.25 3.16 3.76 -1.22 -5.08 115.29 113.00 3hwx s HIS 132 Ca -0.06 0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 54.98 3hwx s HIS 132 Cb 0.08 0.01 0.07 0.00 1.11 0.00 0.00 32.58 33.85 3hwx s HIS 132 CO 0.82 -0.05 0.01 -1.12 -0.85 0.00 0.00 174.74 173.55 3hwx s SER 133 N -0.10 3.78 -0.30 1.40 0.01 -1.26 -1.31 113.70 115.92 3hwx s SER 133 Ca -0.01 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 55.78 3hwx s SER 133 Cb -0.01 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 3hwx s SER 133 CO 0.00 -0.31 0.46 -0.63 0.41 0.00 0.00 173.24 173.18 3hwx s ILE 134 N 1.50 5.09 -0.36 1.44 1.01 0.86 -4.99 121.20 125.75 3hwx s ILE 134 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 60.65 60.92 3hwx s ILE 134 Cb -0.18 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3hwx s ILE 134 CO -0.11 -0.02 1.03 -0.44 0.00 0.00 0.00 174.94 175.41 3hwx s SER 135 N 1.66 6.80 0.24 3.58 0.01 -1.26 -1.53 113.70 123.20 3hwx s SER 135 Ca 0.18 0.80 -0.19 0.00 1.31 0.00 0.00 55.95 58.05 3hwx s SER 135 Cb -0.16 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 3hwx s SER 135 CO 0.11 -0.93 0.73 -0.76 0.41 0.00 0.00 173.24 172.80 3hwx s LEU 136 N 3.72 4.30 0.62 2.44 1.43 -0.56 -4.98 118.68 125.65 3hwx s LEU 136 Ca 0.43 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.93 3hwx s LEU 136 Cb -0.11 -3.68 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3hwx s LEU 136 CO 0.19 -0.01 0.87 -2.16 0.23 0.00 0.00 176.35 175.47 3hwx s PRO 137 N -2.14 2.28 0.00 1.29 0.04 -1.26 -4.50 135.00 130.71 3hwx s PRO 137 Ca 0.45 -0.75 -0.32 0.00 0.04 0.00 0.00 61.00 60.42 3hwx s PRO 137 Cb -0.16 -2.39 -0.11 0.00 0.04 0.00 0.00 34.50 31.89 3hwx s PRO 137 CO 0.20 -0.98 1.89 -2.13 0.04 0.00 0.00 177.00 176.02 3hwx n ARG 138 N -2.57 2.51 -1.66 4.56 0.63 -1.26 -4.74 116.66 114.12 3hwx n ARG 138 Ca 0.10 0.92 -0.48 0.00 -0.92 0.00 0.00 57.85 57.46 3hwx n ARG 138 Cb 0.60 -2.80 -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 6.58 1.93 -3.82 -0.14 -0.02 -1.26 -4.99 135.00 133.28 3hwx n PRO 139 Ca 0.21 0.70 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3hwx n PRO 139 Cb 0.34 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 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 1.92 0.01 0.66 3.45 -1.32 -1.26 -4.99 115.64 114.10 3hwx s THR 140 Ca 0.85 -0.09 0.37 0.00 -1.21 0.00 0.00 61.69 61.61 3hwx s THR 140 Cb -0.76 -0.29 0.37 0.00 -1.51 0.00 0.00 72.50 70.32 3hwx s THR 140 CO 0.45 -0.05 2.14 1.56 -2.21 0.00 0.00 174.62 176.51 3hwx h GLN 141 N 5.63 0.00 0.00 7.08 4.20 -1.99 -2.68 115.11 127.36 3hwx h GLN 141 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3hwx h GLN 141 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3hwx h GLN 141 CO 0.39 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.30 3hwx n ASP 142 N -2.97 0.41 -4.40 1.46 8.00 -1.26 -4.27 116.55 113.53 3hwx n ASP 142 Ca -0.02 0.61 -0.35 0.00 0.71 0.00 0.00 54.79 55.73 3hwx n ASP 142 Cb 0.23 -0.69 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 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 -3.21 3.80 0.45 0.53 1.01 -1.01 -5.09 121.20 117.68 3hwx s ILE 143 Ca 0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 3hwx s ILE 143 Cb 0.09 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.75 3hwx s ILE 143 CO 0.32 0.41 1.19 -2.84 0.00 0.00 0.00 174.94 174.03 3hwx s PRO 144 N 1.24 3.78 0.48 2.79 0.02 -1.26 -4.86 135.00 137.20 3hwx s PRO 144 Ca 0.03 1.86 0.15 0.00 0.02 0.00 0.00 61.00 63.06 3hwx s PRO 144 Cb -0.15 -2.48 1.16 0.00 0.02 0.00 0.00 34.50 33.06 3hwx s PRO 144 CO 0.01 -0.56 2.08 0.00 -0.33 0.00 0.00 177.00 178.20 3hwx h ALA 145 N 2.17 2.01 -0.45 -1.55 0.00 -1.91 -1.08 119.26 118.45 3hwx h ALA 145 Ca -0.49 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.48 3hwx h ALA 145 Cb 1.25 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3hwx h ALA 145 CO 0.61 -0.06 0.07 0.07 0.00 0.00 0.00 179.25 179.93 3hwx h ARG 146 N 0.18 0.19 0.49 0.00 0.11 -1.91 0.21 114.38 113.65 3hwx h ARG 146 Ca 0.11 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 3hwx h ARG 146 Cb 0.22 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 3hwx h ARG 146 CO -0.02 0.12 -0.47 2.35 0.10 0.00 0.00 179.97 182.06 3hwx h TRP 147 N 0.19 -1.29 -0.06 4.08 7.01 -1.57 -1.02 115.95 123.30 3hwx h TRP 147 Ca 0.22 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.24 3hwx h TRP 147 Cb 0.30 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 3hwx h TRP 147 CO -0.23 -0.64 -0.06 1.25 -2.79 0.00 0.00 178.44 175.97 3hwx h LEU 148 N -0.96 -0.20 -1.78 0.65 5.85 -1.35 0.18 115.31 117.70 3hwx h LEU 148 Ca -0.06 0.03 0.30 0.00 0.84 0.00 0.00 57.88 58.99 3hwx h LEU 148 Cb 0.84 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 3hwx h LEU 148 CO -0.05 -0.04 0.75 1.62 -0.34 0.00 0.00 178.44 180.38 3hwx h VAL 149 N -0.03 0.48 0.00 1.05 3.04 -1.01 0.19 116.25 119.97 3hwx h VAL 149 Ca 0.01 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.58 3hwx h VAL 149 Cb 0.06 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 29.66 3hwx h VAL 149 CO -0.07 0.02 -0.36 0.28 -1.01 0.00 0.00 177.57 176.43 3hwx h SER 150 N 0.14 0.00 0.37 3.17 0.02 0.71 -0.76 113.55 117.20 3hwx h SER 150 Ca 0.55 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.20 3hwx h SER 150 Cb 1.89 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.46 3hwx h SER 150 CO -0.10 0.36 -1.30 0.74 -1.14 0.00 0.00 176.83 175.38 3hwx h THR 151 N 0.00 1.37 0.17 -2.27 2.02 0.63 -1.08 112.91 113.75 3hwx h THR 151 Ca -0.00 -2.76 -0.01 0.00 0.77 0.00 0.00 66.41 64.41 3hwx h THR 151 Cb 0.72 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 3hwx h THR 151 CO 0.05 0.82 -0.08 0.40 0.37 0.00 0.00 175.52 177.08 3hwx h ILE 152 N 0.16 0.95 -0.47 3.11 2.04 -1.44 -1.85 117.51 120.00 3hwx h ILE 152 Ca -0.19 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.09 3hwx h ILE 152 Cb 2.00 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 39.33 3hwx h ILE 152 CO 0.23 0.15 -0.32 0.44 0.00 0.00 0.00 178.15 178.66 3hwx h ASP 153 N -0.56 -1.08 -0.23 1.72 5.19 -1.14 0.29 116.42 120.60 3hwx h ASP 153 Ca -0.02 0.20 0.06 0.00 -0.62 0.00 0.00 57.03 56.65 3hwx h ASP 153 Cb 0.43 0.52 -0.07 0.00 0.18 0.00 0.00 39.33 40.39 3hwx h ASP 153 CO 0.04 -0.31 -0.22 -0.74 -3.12 0.00 0.00 179.24 174.89 3hwx h HIS 154 N -0.21 -0.58 -0.91 4.55 -0.00 -1.11 0.41 115.15 117.30 3hwx h HIS 154 Ca 0.20 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.72 3hwx h HIS 154 Cb 0.54 0.29 -0.08 0.00 -0.00 0.00 0.00 27.41 28.16 3hwx h HIS 154 CO -0.57 -0.30 0.54 0.00 -0.00 0.00 0.00 177.93 177.60 3hwx h ALA 155 N 0.83 1.34 0.07 5.26 0.00 -0.43 -2.86 119.26 123.47 3hwx h ALA 155 Ca 0.13 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 3hwx h ALA 155 Cb 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hwx h ALA 155 CO -0.36 0.13 -1.78 -0.07 0.00 0.00 0.00 179.25 177.16 3hwx h LEU 156 N 0.86 0.24 -0.61 0.00 -0.00 0.10 -3.20 115.31 112.69 3hwx h LEU 156 Ca 0.45 -0.48 -0.13 0.00 -0.00 0.00 0.00 57.88 57.73 3hwx h LEU 156 Cb 0.46 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 3hwx h LEU 156 CO -0.27 1.42 -0.27 1.23 -0.00 0.00 0.00 178.44 180.55 3hwx h GLY 157 N 2.21 0.88 -1.02 0.83 0.00 -0.31 -3.02 103.07 102.64 3hwx h GLY 157 Ca -0.33 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.21 3hwx h GLY 157 CO 0.10 0.72 0.00 -1.30 0.00 0.00 0.00 176.54 176.06 3hwx n THR 158 N -4.09 0.35 -2.60 4.70 -2.24 -1.08 -4.24 114.28 105.07 3hwx n THR 158 Ca -0.00 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 3hwx n THR 158 Cb 0.47 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.22 3.85 -0.03 3.22 2.96 -1.14 -4.86 118.68 121.47 3hwx s LEU 159 Ca 0.26 0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 55.06 3hwx s LEU 159 Cb 0.14 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 43.01 3hwx s LEU 159 CO 0.19 -1.00 0.74 -0.74 -1.32 0.00 0.00 176.35 174.23 3hwx h HIS 160 N 8.51 0.46 -1.86 5.38 -0.00 -1.90 -3.49 115.15 122.25 3hwx h HIS 160 Ca -0.22 -0.34 0.09 0.00 -0.00 0.00 0.00 60.37 59.91 3hwx h HIS 160 Cb 1.06 -0.02 -0.20 0.00 -0.00 0.00 0.00 27.41 28.26 3hwx h HIS 160 CO 0.87 1.45 0.52 0.00 -0.00 0.00 0.00 177.93 180.78 3hwx s ALA 161 N -2.60 -1.89 0.00 5.26 0.00 -1.26 -5.05 121.76 116.21 3hwx s ALA 161 Ca -0.12 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3hwx s ALA 161 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3hwx s ALA 161 CO 0.84 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3hwx n GLY 162 N 0.32 -1.76 3.91 0.00 0.00 0.11 -4.77 105.19 103.00 3hwx n GLY 162 Ca -0.10 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.09 2.09 -0.05 -0.02 0.00 -1.25 -2.71 107.32 105.29 3hwx s GLY 163 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.86 3hwx s GLY 163 CO 0.00 -0.88 -0.14 0.14 0.00 0.00 0.00 173.10 172.22 3hwx s VAL 164 N -1.54 1.19 -0.30 1.40 1.01 0.16 0.06 120.40 122.37 3hwx s VAL 164 Ca 0.34 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3hwx s VAL 164 Cb -0.13 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.26 3hwx s VAL 164 CO 0.27 0.35 -0.00 -2.28 0.00 0.00 0.00 175.10 173.45 3hwx s HIS 165 N 0.27 3.28 -0.42 5.22 5.65 -0.43 0.04 115.29 128.90 3hwx s HIS 165 Ca -0.07 -1.94 -0.03 0.00 0.25 0.00 0.00 55.06 53.26 3hwx s HIS 165 Cb -0.12 -2.15 0.11 0.00 -1.18 0.00 0.00 32.58 29.24 3hwx s HIS 165 CO 0.02 -0.82 0.22 0.42 -0.65 0.00 0.00 174.74 173.94 3hwx s ILE 166 N 1.23 3.35 0.08 0.89 1.01 0.39 -0.09 121.20 128.06 3hwx s ILE 166 Ca -0.05 -2.09 -0.30 0.00 0.00 0.00 0.00 60.65 58.20 3hwx s ILE 166 Cb -0.20 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 3hwx s ILE 166 CO -0.02 -0.71 1.18 0.21 0.00 0.00 0.00 174.94 175.61 3hwx s ASN 167 N 1.81 7.11 -0.53 3.58 2.47 -0.58 -1.52 114.94 127.28 3hwx s ASN 167 Ca 0.09 2.03 0.04 0.00 0.42 0.00 0.00 52.86 55.43 3hwx s ASN 167 Cb -0.23 -2.58 0.15 0.00 -1.45 0.00 0.00 41.25 37.13 3hwx s ASN 167 CO -0.04 -0.42 0.32 0.00 -3.72 0.00 0.00 177.10 173.24 3hwx s PRO 169 N -0.32 4.23 -0.01 0.00 0.02 -1.26 -1.96 135.00 135.70 3hwx s PRO 169 Ca 0.21 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3hwx s PRO 169 Cb -0.16 -3.02 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 3hwx s PRO 169 CO -0.07 -0.38 -0.06 -0.06 -0.33 0.00 0.00 177.00 176.11 3hwx s PHE 170 N -1.02 0.57 0.18 6.54 0.08 -0.50 -4.43 117.98 119.40 3hwx s PHE 170 Ca 0.52 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 57.32 3hwx s PHE 170 Cb -0.43 -0.39 -0.07 0.00 -0.57 0.00 0.00 43.02 41.56 3hwx s PHE 170 CO 0.57 -0.03 0.57 0.00 -0.10 0.00 0.00 175.22 176.24 3hwx s ALA 171 N -0.04 3.55 0.74 5.36 0.00 -1.26 -3.69 121.76 126.42 3hwx s ALA 171 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 3hwx s ALA 171 Cb -0.04 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.58 3hwx s ALA 171 CO -0.00 0.45 1.09 -1.83 0.00 0.00 0.00 175.76 175.47 3hwx s GLU 172 N -2.16 2.44 0.44 0.00 1.03 -1.26 -4.57 118.70 114.61 3hwx s GLU 172 Ca 0.41 1.22 -0.24 0.00 0.03 0.00 0.00 54.97 56.38 3hwx s GLU 172 Cb -0.14 -1.92 -0.08 0.00 -0.80 0.00 0.00 34.13 31.19 3hwx s GLU 172 CO 0.20 -1.51 1.19 -1.25 -1.33 0.00 0.00 175.26 172.55 3hwx s PRO 173 N -4.69 3.84 0.00 -4.83 0.04 -1.26 -4.96 135.00 123.14 3hwx s PRO 173 Ca 0.62 1.85 0.12 0.00 0.04 0.00 0.00 61.00 63.63 3hwx s PRO 173 Cb -0.18 -2.52 -0.13 0.00 0.04 0.00 0.00 34.50 31.71 3hwx s PRO 173 CO 0.52 -0.50 0.53 1.28 0.04 0.00 0.00 177.00 178.87 3hwx n LEU 174 N -0.28 0.60 -4.03 -3.56 4.77 -1.26 -3.66 117.00 109.57 3hwx n LEU 174 Ca 0.06 -0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 55.22 3hwx n LEU 174 Cb 0.47 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 3hwx n LEU 174 CO 0.49 0.15 -0.30 -0.31 -1.33 0.00 0.00 177.39 176.09 3hwx s TYR 175 N -2.16 3.73 -0.21 -1.77 2.02 -1.26 -4.85 117.35 112.85 3hwx s TYR 175 Ca 0.05 -2.93 -0.13 0.00 -0.37 0.00 0.00 57.07 53.68 3hwx s TYR 175 Cb 0.09 -2.97 0.06 0.00 -0.40 0.00 0.00 41.96 38.75 3hwx s TYR 175 CO 0.50 -0.95 0.51 1.41 -1.57 0.00 0.00 175.55 175.46 3hwx s MET 178 N 0.90 0.53 0.30 -0.62 1.75 -1.26 -4.82 119.30 116.08 3hwx s MET 178 Ca 0.11 0.89 0.01 0.00 -1.25 0.00 0.00 55.69 55.45 3hwx s MET 178 Cb -0.20 0.10 -0.00 0.00 2.84 0.00 0.00 34.83 37.57 3hwx s MET 178 CO -0.07 -0.14 0.02 -0.25 -0.65 0.00 0.00 175.02 173.93 3hwx n ASP 179 N 3.92 2.46 -0.80 1.11 8.00 -1.26 -5.01 116.55 124.97 3hwx n ASP 179 Ca -0.20 -2.35 -0.00 0.00 0.71 0.00 0.00 54.79 52.95 3hwx n ASP 179 Cb 0.57 0.31 0.03 0.00 -0.02 0.00 0.00 41.12 42.01 3hwx n ASP 179 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hwx n ASP 180 N -1.31 2.00 -0.12 -2.24 8.00 -1.26 -4.70 116.55 116.91 3hwx n ASP 180 Ca -0.11 -2.12 -0.06 0.00 0.71 0.00 0.00 54.79 53.21 3hwx n ASP 180 Cb 0.39 -0.52 0.02 0.00 -0.02 0.00 0.00 41.12 40.98 3hwx n ASP 180 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3hwx h THR 181 N 0.31 0.98 -0.66 -3.53 2.02 -1.92 -2.44 112.91 107.67 3hwx h THR 181 Ca 0.02 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3hwx h THR 181 Cb 0.83 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3hwx h THR 181 CO 0.07 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.65 3hwx n GLY 182 N -1.22 2.70 0.10 2.16 0.00 -1.26 -4.78 105.19 102.89 3hwx n GLY 182 Ca 0.02 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 4.03 0.19 -1.25 0.99 5.85 -1.77 -0.91 115.31 122.44 3hwx h LEU 183 Ca 0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3hwx h LEU 183 Cb 1.27 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3hwx h LEU 183 CO 0.14 0.33 0.17 0.77 -0.34 0.00 0.00 178.44 179.51 3hwx h SER 184 N 0.04 0.63 -0.74 1.25 4.64 -1.86 -0.38 113.55 117.13 3hwx h SER 184 Ca 0.04 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3hwx h SER 184 Cb 0.20 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3hwx h SER 184 CO -0.00 0.58 0.29 -0.25 -0.87 0.00 0.00 176.83 176.58 3hwx h TRP 185 N 0.68 1.13 -0.34 4.77 7.01 -1.80 -1.67 115.95 125.74 3hwx h TRP 185 Ca 0.16 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3hwx h TRP 185 Cb 0.17 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 3hwx h TRP 185 CO 0.01 0.87 0.18 1.96 -2.79 0.00 0.00 178.44 178.68 3hwx h GLN 186 N 1.07 0.47 0.00 2.65 4.20 -0.62 -3.25 115.11 119.63 3hwx h GLN 186 Ca 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3hwx h GLN 186 Cb 0.22 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3hwx h GLN 186 CO -0.02 0.39 -0.04 1.96 -0.67 0.00 0.00 178.83 180.45 3hwx h GLN 187 N 0.42 0.00 0.00 1.46 4.20 -0.54 -1.91 115.11 118.74 3hwx h GLN 187 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3hwx h GLN 187 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3hwx h GLN 187 CO -0.02 0.04 0.00 0.54 -0.67 0.00 0.00 178.83 178.72 3hwx n ARG 188 N -3.29 0.05 0.00 1.46 5.12 -0.68 -0.19 116.66 119.14 3hwx n ARG 188 Ca -0.01 0.24 0.13 0.00 -1.93 0.00 0.00 57.85 56.27 3hwx n ARG 188 Cb 0.20 -1.50 0.43 0.00 -1.16 0.00 0.00 32.46 30.44 3hwx n ARG 188 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hwx n LEU 189 N -1.27 0.85 0.00 0.55 4.77 -0.72 -4.95 117.00 116.23 3hwx n LEU 189 Ca 0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3hwx n LEU 189 Cb 0.03 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3hwx n LEU 189 CO 0.03 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3hwx n GLY 190 N 1.33 1.40 0.00 -0.72 0.00 0.74 -2.54 105.19 105.40 3hwx n GLY 190 Ca 0.12 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.63 3hwx n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hwx n ASP 191 N -2.33 0.00 -0.29 1.61 5.68 -1.26 -2.40 116.55 117.55 3hwx n ASP 191 Ca 0.00 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.38 3hwx n ASP 191 Cb 0.00 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.35 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 0.87 0.00 2.11 7.01 -1.90 -2.68 115.95 121.35 3hwx h TRP 192 Ca 0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 3hwx h TRP 192 Cb 0.00 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 26.79 3hwx h TRP 192 CO 0.00 0.29 -0.00 -1.49 -2.79 0.00 0.00 178.44 174.45 3hwx h TRP 193 N 0.70 0.00 -0.01 2.65 4.06 -1.69 0.14 115.95 121.80 3hwx h TRP 193 Ca 0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.43 3hwx h TRP 193 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 3hwx h TRP 193 CO -0.00 0.00 -0.35 1.04 -3.56 0.00 0.00 178.44 175.56 3hwx n GLN 194 N -3.09 1.82 -0.60 0.49 3.00 -1.04 -5.02 117.38 112.94 3hwx n GLN 194 Ca -0.03 -0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 56.20 3hwx n GLN 194 Cb 0.10 -1.23 0.06 0.00 0.00 0.00 0.00 30.24 29.17 3hwx n GLN 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3hwx n ASP 195 N -0.29 0.05 0.00 1.08 2.03 0.48 -5.04 116.55 114.86 3hwx n ASP 195 Ca 0.06 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3hwx n ASP 195 Cb 0.30 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 3hwx n ASP 195 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3hwx n ASP 196 N -3.24 3.26 -4.93 1.67 -0.08 -1.26 -5.05 116.55 106.92 3hwx n ASP 196 Ca 0.05 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.13 3hwx n ASP 196 Cb 0.17 0.26 -0.02 0.00 2.34 0.00 0.00 41.12 43.88 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3hwx s LYS 197 N -1.68 2.85 1.08 -0.67 1.02 -1.26 -4.71 119.74 116.37 3hwx s LYS 197 Ca 0.00 -1.22 -0.18 0.00 0.02 0.00 0.00 55.97 54.59 3hwx s LYS 197 Cb 0.00 -2.63 0.08 0.00 -0.52 0.00 0.00 37.83 34.76 3hwx s LYS 197 CO 0.00 -0.02 0.02 -2.30 -0.92 0.00 0.00 175.35 172.12 3hwx n PRO 198 N -1.58 -1.29 -0.06 -1.68 -0.02 -1.26 -4.93 135.00 124.18 3hwx n PRO 198 Ca 0.01 -0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.00 3hwx n PRO 198 Cb 0.59 -1.70 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.93 0.52 -3.24 6.00 2.91 -1.95 -3.44 115.95 114.82 3hwx h TRP 199 Ca -0.51 -0.17 -0.67 0.00 1.13 0.00 0.00 58.89 58.67 3hwx h TRP 199 Cb 1.35 -0.11 -0.34 0.00 -0.51 0.00 0.00 29.16 29.55 3hwx h TRP 199 CO 0.19 0.83 -0.87 -1.17 -1.03 0.00 0.00 178.44 176.39 3hwx s LEU 200 N -9.01 2.08 -0.46 0.65 2.96 -1.26 -5.10 118.68 108.55 3hwx s LEU 200 Ca -0.14 -0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 53.06 3hwx s LEU 200 Cb 0.06 -1.42 0.08 0.00 0.50 0.00 0.00 46.19 45.41 3hwx s LEU 200 CO 0.77 0.10 0.35 -0.13 -1.32 0.00 0.00 176.35 176.12 3hwx s ARG 201 N 0.69 2.83 -0.18 1.98 0.52 -1.26 -4.77 118.95 118.76 3hwx s ARG 201 Ca -0.10 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 53.66 3hwx s ARG 201 Cb -0.16 -4.00 0.05 0.00 0.52 0.00 0.00 34.95 31.36 3hwx s ARG 201 CO 0.01 -1.02 0.02 -2.00 0.02 0.00 0.00 175.30 172.33 3hwx s GLU 202 N 1.55 0.77 -0.35 3.54 2.12 -1.26 -5.02 118.70 120.04 3hwx s GLU 202 Ca 0.04 -0.41 0.14 0.00 0.36 0.00 0.00 54.97 55.10 3hwx s GLU 202 Cb -0.24 -2.01 0.43 0.00 0.26 0.00 0.00 34.13 32.57 3hwx s GLU 202 CO 0.05 -0.59 1.16 0.00 -0.54 0.00 0.00 175.26 175.34 3hwx n ALA 203 N 5.02 2.39 -1.74 6.30 0.00 -1.26 -3.38 120.51 127.84 3hwx n ALA 203 Ca -0.09 -2.22 -0.37 0.00 0.00 0.00 0.00 53.44 50.77 3hwx n ALA 203 Cb 0.47 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 19.01 3hwx n ALA 203 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hwx s PRO 204 N -1.54 2.78 0.11 0.00 0.02 -1.26 -5.00 135.00 130.11 3hwx s PRO 204 Ca 0.24 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.26 3hwx s PRO 204 Cb 0.43 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 33.00 3hwx s PRO 204 CO -0.03 -1.39 0.12 1.03 -0.33 0.00 0.00 177.00 176.40 3hwx s ARG 205 N -3.33 2.96 -0.23 5.54 0.52 -1.26 -4.96 118.95 118.20 3hwx s ARG 205 Ca 0.80 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 55.30 3hwx s ARG 205 Cb -0.34 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.43 3hwx s ARG 205 CO 0.37 0.54 -0.15 -1.17 0.02 0.00 0.00 175.30 174.91 3hwx s LEU 206 N -2.71 2.87 -0.07 2.53 2.96 -1.26 -5.10 118.68 117.90 3hwx s LEU 206 Ca 0.31 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.14 3hwx s LEU 206 Cb -0.11 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.09 3hwx s LEU 206 CO 0.23 -0.11 0.15 -1.61 -1.32 0.00 0.00 176.35 173.70 3hwx s GLU 207 N 1.19 0.08 0.19 1.98 2.02 -1.26 -4.63 118.70 118.27 3hwx s GLU 207 Ca -0.02 0.42 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 3hwx s GLU 207 Cb -0.17 -0.20 -0.09 0.00 0.10 0.00 0.00 34.13 33.77 3hwx s GLU 207 CO -0.08 -0.20 1.36 -1.12 0.02 0.00 0.00 175.26 175.24 3hwx s SER 208 N 1.46 6.82 0.64 -0.19 0.01 -0.00 -4.99 113.70 117.45 3hwx s SER 208 Ca -0.06 2.45 -0.18 0.00 1.31 0.00 0.00 55.95 59.47 3hwx s SER 208 Cb -0.12 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 3hwx s SER 208 CO -0.06 -0.60 1.26 -1.84 0.41 0.00 0.00 173.24 172.41 3hwx n GLU 209 N 2.84 1.13 -1.57 12.44 0.28 -1.26 -4.87 120.64 129.62 3hwx n GLU 209 Ca 0.07 0.44 -0.50 0.00 -0.16 0.00 0.00 57.16 57.02 3hwx n GLU 209 Cb 0.42 -2.50 -0.04 0.00 1.43 0.00 0.00 31.44 30.75 3hwx n GLU 209 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3hwx n LYS 210 N -1.75 1.08 -2.84 3.44 4.81 -1.26 -4.86 118.16 116.79 3hwx n LYS 210 Ca 0.15 0.39 -0.43 0.00 -0.87 0.00 0.00 58.31 57.55 3hwx n LYS 210 Cb 0.48 -1.89 -0.04 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.27 3.18 0.29 1.64 -1.52 -1.26 -4.89 119.66 116.82 3hwx s GLN 211 Ca 0.75 -0.90 0.22 0.00 -1.95 0.00 0.00 55.36 53.48 3hwx s GLN 211 Cb -0.88 -4.33 1.07 0.00 -0.22 0.00 0.00 33.01 28.65 3hwx s GLN 211 CO 0.52 -1.84 1.67 0.54 -0.25 0.00 0.00 175.29 175.92 3hwx n ARG 212 N 7.72 0.16 -0.83 2.91 1.74 -1.26 -1.67 116.66 125.43 3hwx n ARG 212 Ca 0.00 0.55 -0.02 0.00 -0.77 0.00 0.00 57.85 57.62 3hwx n ARG 212 Cb 0.46 -1.92 0.28 0.00 -1.02 0.00 0.00 32.46 30.26 3hwx n ARG 212 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hwx n ASP 213 N -2.23 4.17 -0.05 0.55 5.75 -1.26 -4.64 116.55 118.84 3hwx n ASP 213 Ca -0.00 -3.27 -0.14 0.00 -0.01 0.00 0.00 54.79 51.37 3hwx n ASP 213 Cb 0.11 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 39.50 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 2.14 0.99 -0.39 2.11 2.91 -1.74 -3.05 115.95 118.92 3hwx h TRP 214 Ca 0.19 -0.37 0.04 0.00 1.13 0.00 0.00 58.89 59.88 3hwx h TRP 214 Cb 1.98 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.43 3hwx h TRP 214 CO 1.03 1.18 0.26 0.74 -1.03 0.00 0.00 178.44 180.62 3hwx h PHE 215 N 0.58 0.34 -0.31 2.65 -1.00 -1.84 0.52 116.94 117.89 3hwx h PHE 215 Ca -0.00 0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.61 3hwx h PHE 215 Cb 1.19 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.64 3hwx h PHE 215 CO 0.07 0.19 -0.49 0.35 -1.61 0.00 0.00 178.31 176.82 3hwx h PHE 216 N 0.35 1.09 -0.04 -0.55 3.57 -1.89 -3.34 116.94 116.13 3hwx h PHE 216 Ca 0.16 -0.37 -0.15 0.00 3.53 0.00 0.00 57.97 61.14 3hwx h PHE 216 Cb 0.21 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3hwx h PHE 216 CO -0.00 1.20 -0.66 -1.49 -2.23 0.00 0.00 178.31 175.13 3hwx h TRP 217 N 0.66 0.20 0.00 0.41 4.06 -1.04 -3.28 115.95 116.96 3hwx h TRP 217 Ca 0.03 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.89 3hwx h TRP 217 Cb 1.10 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3hwx h TRP 217 CO 0.07 0.76 0.00 2.89 -3.56 0.00 0.00 178.44 178.61 3hwx n ARG 218 N -3.81 0.14 -0.11 0.49 1.85 0.03 -1.88 116.66 113.37 3hwx n ARG 218 Ca -0.02 0.34 0.11 0.00 -1.00 0.00 0.00 57.85 57.28 3hwx n ARG 218 Cb 0.65 -1.75 0.32 0.00 -1.05 0.00 0.00 32.46 30.63 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 -2.01 1.97 -3.99 2.89 6.02 -1.24 -4.91 117.38 116.12 3hwx n GLN 219 Ca 0.03 -1.46 -0.21 0.00 -0.01 0.00 0.00 57.00 55.35 3hwx n GLN 219 Cb 0.24 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.71 3.37 -0.56 -1.09 -0.14 -0.79 -5.01 119.74 113.81 3hwx s LYS 220 Ca 0.34 -0.80 -0.27 0.00 -1.36 0.00 0.00 55.97 53.87 3hwx s LYS 220 Cb 0.19 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 3hwx s LYS 220 CO 0.28 0.42 1.68 1.03 -0.76 0.00 0.00 175.35 178.00 3hwx s ARG 221 N -3.96 2.98 0.44 1.68 0.52 -1.26 -4.94 118.95 114.40 3hwx s ARG 221 Ca 0.34 0.64 0.08 0.00 -0.52 0.00 0.00 55.73 56.27 3hwx s ARG 221 Cb -0.09 -4.26 -0.00 0.00 0.52 0.00 0.00 34.95 31.11 3hwx s ARG 221 CO 0.28 -2.31 0.44 0.20 0.02 0.00 0.00 175.30 173.93 3hwx s GLY 222 N 6.39 2.10 -0.00 -3.53 0.00 -1.26 -0.21 107.32 110.81 3hwx s GLY 222 Ca 0.63 -1.82 0.06 0.00 0.00 0.00 0.00 44.72 43.58 3hwx s GLY 222 CO 0.24 -1.68 -0.18 0.14 0.00 0.00 0.00 173.10 171.61 3hwx s VAL 223 N -2.49 1.42 -0.23 1.40 1.01 -0.96 -4.25 120.40 116.30 3hwx s VAL 223 Ca 0.49 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3hwx s VAL 223 Cb -0.04 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3hwx s VAL 223 CO 0.29 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 175.03 3hwx s VAL 224 N -0.50 3.58 -0.19 2.92 1.01 -0.53 -0.78 120.40 125.91 3hwx s VAL 224 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3hwx s VAL 224 Cb -0.07 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3hwx s VAL 224 CO -0.00 0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.79 3hwx s VAL 225 N 1.51 3.88 -0.29 2.92 1.01 -0.65 -1.07 120.40 127.71 3hwx s VAL 225 Ca 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hwx s VAL 225 Cb -0.14 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3hwx s VAL 225 CO -0.02 0.44 0.07 0.00 0.00 0.00 0.00 175.10 175.59 3hwx s ALA 226 N 0.89 3.02 0.14 5.51 0.00 -0.26 0.17 121.76 131.23 3hwx s ALA 226 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3hwx s ALA 226 Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3hwx s ALA 226 CO 0.02 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3hwx n GLY 227 N 4.84 1.59 3.75 0.00 0.00 0.39 -1.33 105.19 114.42 3hwx n GLY 227 Ca -0.15 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 3hwx n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hwx s ARG 228 N 2.77 4.18 0.19 1.61 3.52 -0.73 -3.78 118.95 126.72 3hwx s ARG 228 Ca 0.00 2.47 -0.13 0.00 -0.13 0.00 0.00 55.73 57.94 3hwx s ARG 228 Cb 0.00 -3.05 0.05 0.00 -1.56 0.00 0.00 34.95 30.38 3hwx s ARG 228 CO 0.00 -0.54 0.65 0.00 -0.81 0.00 0.00 175.30 174.60 3hwx n MET 229 N 2.15 0.59 -2.15 5.12 0.00 -1.21 -3.93 117.12 117.68 3hwx n MET 229 Ca 0.07 -1.24 -0.28 0.00 0.00 0.00 0.00 57.70 56.25 3hwx n MET 229 Cb 0.39 1.62 0.05 0.00 0.00 0.00 0.00 33.22 35.28 3hwx n MET 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hwx s SER 230 N -2.59 5.21 0.09 3.17 1.04 -1.26 -4.81 113.70 114.54 3hwx s SER 230 Ca 0.14 0.76 -0.24 0.00 0.48 0.00 0.00 55.95 57.09 3hwx s SER 230 Cb -0.03 -1.55 -0.08 0.00 0.10 0.00 0.00 66.02 64.46 3hwx s SER 230 CO 0.06 -1.38 1.39 0.00 0.98 0.00 0.00 173.24 174.29 3hwx h ALA 231 N -0.52 -0.67 -0.79 5.32 0.00 -1.88 -1.38 119.26 119.34 3hwx h ALA 231 Ca -0.45 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3hwx h ALA 231 Cb 1.28 0.99 -0.04 0.00 0.00 0.00 0.00 17.79 20.02 3hwx h ALA 231 CO 0.62 -0.85 0.51 0.93 0.00 0.00 0.00 179.25 180.46 3hwx h GLU 232 N -0.31 1.04 -0.13 0.00 4.39 -1.95 -1.78 114.58 115.85 3hwx h GLU 232 Ca 0.05 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 3hwx h GLU 232 Cb 0.44 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3hwx h GLU 232 CO -0.41 0.70 -0.33 0.93 -1.16 0.00 0.00 179.01 178.74 3hwx h GLU 233 N 1.07 0.25 -0.23 2.33 5.08 -1.86 -1.89 114.58 119.33 3hwx h GLU 233 Ca 0.29 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 3hwx h GLU 233 Cb -0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3hwx h GLU 233 CO -0.06 0.56 -0.47 0.78 -1.00 0.00 0.00 179.01 178.82 3hwx h GLY 234 N 1.10 0.66 0.76 -3.84 0.00 -0.36 -0.83 103.07 100.55 3hwx h GLY 234 Ca 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 3hwx h GLY 234 CO 0.05 0.63 -0.02 0.50 0.00 0.00 0.00 176.54 177.71 3hwx h LYS 235 N 0.48 0.25 -0.61 4.80 1.57 -1.20 -1.33 116.57 120.53 3hwx h LYS 235 Ca 0.03 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3hwx h LYS 235 Cb 1.00 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.24 3hwx h LYS 235 CO 0.09 0.52 0.31 0.87 -0.57 0.00 0.00 179.45 180.68 3hwx h LYS 236 N -0.04 0.56 -0.18 3.15 1.57 -1.33 -1.97 116.57 118.33 3hwx h LYS 236 Ca 0.04 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3hwx h LYS 236 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3hwx h LYS 236 CO 0.01 0.37 -0.31 0.28 -0.57 0.00 0.00 179.45 179.24 3hwx h VAL 237 N 0.58 1.27 -0.46 0.50 2.07 -0.95 -2.06 116.25 117.20 3hwx h VAL 237 Ca 0.28 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3hwx h VAL 237 Cb 0.21 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3hwx h VAL 237 CO -0.20 0.41 0.18 0.00 0.02 0.00 0.00 177.57 177.98 3hwx h ALA 238 N 1.37 0.60 -0.35 1.67 0.00 -0.72 -0.86 119.26 120.97 3hwx h ALA 238 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 238 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hwx h ALA 238 CO 0.05 0.22 -0.03 -0.07 0.00 0.00 0.00 179.25 179.42 3hwx h LEU 239 N 0.61 0.63 0.09 0.00 3.38 -1.19 -2.41 115.31 116.42 3hwx h LEU 239 Ca 0.15 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hwx h LEU 239 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hwx h LEU 239 CO -0.01 0.81 -0.21 -0.25 0.09 0.00 0.00 178.44 178.87 3hwx h TRP 240 N 0.44 -0.56 -0.03 1.13 7.01 -1.24 -0.76 115.95 121.94 3hwx h TRP 240 Ca 0.10 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.12 3hwx h TRP 240 Cb 0.50 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 3hwx h TRP 240 CO 0.04 -0.31 -0.04 0.00 -2.79 0.00 0.00 178.44 175.35 3hwx h ALA 241 N 0.43 -0.01 -0.25 2.65 0.00 -1.20 -1.61 119.26 119.27 3hwx h ALA 241 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hwx h ALA 241 Cb 0.42 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hwx h ALA 241 CO -0.14 -0.52 0.09 0.37 0.00 0.00 0.00 179.25 179.05 3hwx h GLN 242 N -0.05 0.20 -0.96 0.00 4.15 -1.07 0.34 115.11 117.73 3hwx h GLN 242 Ca 0.03 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.53 3hwx h GLN 242 Cb 0.09 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.65 3hwx h GLN 242 CO -0.06 0.13 0.60 1.15 -1.93 0.00 0.00 178.83 178.72 3hwx h THR 243 N 0.21 0.96 0.00 2.39 2.02 -1.13 -0.10 112.91 117.26 3hwx h THR 243 Ca 0.11 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3hwx h THR 243 Cb 0.07 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 3hwx h THR 243 CO -0.11 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.14 3hwx n LEU 244 N -4.62 0.78 -3.79 2.58 4.77 -0.58 -1.66 117.00 114.48 3hwx n LEU 244 Ca 0.17 0.62 -0.28 0.00 -0.03 0.00 0.00 56.01 56.49 3hwx n LEU 244 Cb 0.29 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3hwx n LEU 244 CO 0.28 -0.35 0.15 0.61 -1.33 0.00 0.00 177.39 176.76 3hwx n GLY 245 N 0.75 -0.51 3.89 -0.72 0.00 0.11 -4.51 105.19 104.20 3hwx n GLY 245 Ca 0.04 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.32 3.58 0.29 1.61 0.52 -1.06 -2.76 118.94 117.80 3hwx s TRP 246 Ca 0.61 0.50 -0.30 0.00 0.02 0.00 0.00 56.10 56.93 3hwx s TRP 246 Cb -0.29 -1.93 -0.11 0.00 -1.15 0.00 0.00 33.47 29.98 3hwx s TRP 246 CO 0.79 0.65 1.61 -1.25 0.02 0.00 0.00 176.95 178.77 3hwx s PRO 247 N -1.67 4.11 -0.35 4.98 0.04 -1.26 -4.55 135.00 136.30 3hwx s PRO 247 Ca 0.25 2.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 3hwx s PRO 247 Cb -0.13 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3hwx s PRO 247 CO 0.15 -0.65 0.21 -1.17 0.04 0.00 0.00 177.00 175.57 3hwx s LEU 248 N -0.40 4.50 -0.60 -3.56 2.96 -1.26 -1.45 118.68 118.86 3hwx s LEU 248 Ca 0.64 -0.64 -0.25 0.00 -0.22 0.00 0.00 54.13 53.66 3hwx s LEU 248 Cb -0.48 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.18 3hwx s LEU 248 CO 0.47 -0.28 1.05 -0.63 -1.32 0.00 0.00 176.35 175.64 3hwx s ILE 249 N 1.64 4.20 -0.30 6.68 1.01 -0.23 -4.14 121.20 130.06 3hwx s ILE 249 Ca 0.05 0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.99 3hwx s ILE 249 Cb -0.18 -4.66 0.02 0.00 0.01 0.00 0.00 42.46 37.66 3hwx s ILE 249 CO 0.08 -1.32 0.06 -0.83 0.00 0.00 0.00 174.94 172.93 3hwx s GLY 250 N 3.12 1.78 0.98 6.18 0.00 -1.26 -1.11 107.32 117.01 3hwx s GLY 250 Ca 0.33 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 3hwx s GLY 250 CO 0.19 0.67 1.11 -0.35 0.00 0.00 0.00 173.10 174.72 3hwx s ASP 251 N 1.43 2.42 0.29 1.64 2.15 -0.44 -4.76 116.67 119.39 3hwx s ASP 251 Ca 0.00 1.96 0.01 0.00 0.43 0.00 0.00 52.55 54.95 3hwx s ASP 251 Cb -0.18 -2.48 0.54 0.00 -0.30 0.00 0.00 42.92 40.50 3hwx s ASP 251 CO 0.01 -3.38 1.86 -0.37 -0.17 0.00 0.00 175.17 173.13 3hwx h VAL 252 N -2.06 0.98 0.00 1.11 -1.51 -1.89 -1.08 116.25 111.81 3hwx h VAL 252 Ca -0.49 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 3hwx h VAL 252 Cb 1.29 -0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 3hwx h VAL 252 CO 0.45 0.19 0.00 0.18 -1.23 0.00 0.00 177.57 177.15 3hwx n LEU 253 N -4.56 0.00 0.03 4.19 4.77 -1.26 -4.01 117.00 116.15 3hwx n LEU 253 Ca 0.17 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 3hwx n LEU 253 Cb 0.30 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3hwx n LEU 253 CO 0.30 -0.06 -0.25 0.77 -1.33 0.00 0.00 177.39 176.81 3hwx h SER 254 N 0.00 0.00 -1.07 -1.43 4.64 -1.28 -3.22 113.55 111.19 3hwx h SER 254 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 3hwx h SER 254 Cb 0.08 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.00 3hwx h SER 254 CO 0.00 0.70 -0.39 0.00 -0.87 0.00 0.00 176.83 176.27 3hwx n GLN 255 N -2.99 -1.47 0.26 4.77 6.02 -1.26 -3.97 117.38 118.75 3hwx n GLN 255 Ca -0.10 1.23 0.16 0.00 -0.01 0.00 0.00 57.00 58.28 3hwx n GLN 255 Cb 0.89 -5.63 0.59 0.00 1.02 0.00 0.00 30.24 27.11 3hwx n GLN 255 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3hwx h THR 256 N 0.00 0.06 0.00 5.09 1.35 -1.86 0.13 112.91 117.68 3hwx h THR 256 Ca -0.43 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3hwx h THR 256 Cb 1.37 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3hwx h THR 256 CO 0.63 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 3hwx n GLY 257 N 0.20 0.37 3.11 5.82 0.00 -1.25 -4.60 105.19 108.83 3hwx n GLY 257 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.79 -0.93 0.00 1.61 6.02 -1.26 -4.67 117.38 116.36 3hwx n GLN 258 Ca 0.00 0.49 0.15 0.00 -0.01 0.00 0.00 57.00 57.64 3hwx n GLN 258 Cb 0.00 -1.25 0.80 0.00 1.02 0.00 0.00 30.24 30.82 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 -1.45 0.84 -2.64 -1.09 -0.04 -1.26 -3.04 135.00 126.32 3hwx n PRO 259 Ca -0.17 -0.12 -0.27 0.00 -0.04 0.00 0.00 63.50 62.90 3hwx n PRO 259 Cb 0.40 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.98 4.67 -4.56 1.53 4.77 -1.26 -5.01 117.00 116.17 3hwx n LEU 260 Ca 0.19 -5.39 -0.29 0.00 -0.03 0.00 0.00 56.01 50.49 3hwx n LEU 260 Cb 0.20 -0.51 0.22 0.00 -2.33 0.00 0.00 43.42 41.00 3hwx n LEU 260 CO 0.20 2.28 0.57 -2.16 -1.33 0.00 0.00 177.39 176.96 3hwx s PRO 261 N -3.53 -0.24 -1.22 3.23 0.04 -1.17 -3.71 135.00 128.41 3hwx s PRO 261 Ca 0.48 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 3hwx s PRO 261 Cb 0.36 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 33.28 3hwx s PRO 261 CO -0.17 -3.32 0.59 0.00 0.04 0.00 0.00 177.00 174.14 3hwx h ALA 263 N 0.81 1.57 0.00 0.00 0.00 -1.80 -1.01 119.26 118.83 3hwx h ALA 263 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hwx h ALA 263 Cb 1.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hwx h ALA 263 CO 0.46 0.40 0.00 -3.47 0.00 0.00 0.00 179.25 176.63 3hwx n ASP 264 N -4.44 0.12 -0.09 0.00 2.03 -1.26 -1.52 116.55 111.39 3hwx n ASP 264 Ca 0.06 0.55 -0.17 0.00 0.52 0.00 0.00 54.79 55.75 3hwx n ASP 264 Cb 0.05 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.82 3hwx n ASP 264 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hwx n LEU 265 N -1.65 1.69 0.23 -2.67 4.77 -0.50 -4.60 117.00 114.27 3hwx n LEU 265 Ca 0.01 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 3hwx n LEU 265 Cb 0.07 -0.67 0.50 0.00 -2.33 0.00 0.00 43.42 41.00 3hwx n LEU 265 CO 0.07 0.10 0.82 4.11 -1.33 0.00 0.00 177.39 181.16 3hwx h TRP 266 N -0.82 0.00 0.00 -1.77 5.08 -1.07 -2.92 115.95 114.45 3hwx h TRP 266 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.65 3hwx h TRP 266 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3hwx h TRP 266 CO -0.20 0.23 0.00 -0.07 -1.28 0.00 0.00 178.44 177.11 3hwx h LEU 267 N 0.00 0.00 -2.95 0.11 3.38 -1.53 0.19 115.31 114.52 3hwx h LEU 267 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3hwx h LEU 267 Cb 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3hwx h LEU 267 CO 0.03 0.00 0.09 0.61 0.09 0.00 0.00 178.44 179.26 3hwx n GLY 268 N -0.82 2.81 3.42 0.83 0.00 -1.10 -4.65 105.19 105.68 3hwx n GLY 268 Ca -0.02 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 3hwx n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwx s ASN 269 N -0.57 4.81 0.35 1.61 3.84 0.05 -4.36 114.94 120.68 3hwx s ASN 269 Ca 0.39 -0.24 0.12 0.00 0.21 0.00 0.00 52.86 53.34 3hwx s ASN 269 Cb 0.31 -1.84 0.92 0.00 -0.55 0.00 0.00 41.25 40.09 3hwx s ASN 269 CO 0.11 0.02 1.78 0.00 -2.79 0.00 0.00 177.10 176.21 3hwx h ALA 270 N 7.84 1.92 0.00 1.71 0.00 -1.87 0.26 119.26 129.12 3hwx h ALA 270 Ca -0.38 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hwx h ALA 270 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hwx h ALA 270 CO 0.60 -0.31 0.00 1.57 0.00 0.00 0.00 179.25 181.11 3hwx h LYS 271 N 0.58 0.00 0.00 0.00 2.10 -1.93 0.11 116.57 117.42 3hwx h LYS 271 Ca 0.58 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.18 3hwx h LYS 271 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3hwx h LYS 271 CO -0.35 0.00 -0.29 0.00 -2.00 0.00 0.00 179.45 176.82 3hwx h ALA 272 N 2.10 0.06 0.00 0.07 0.00 -0.78 -3.19 119.26 117.52 3hwx h ALA 272 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3hwx h ALA 272 Cb 0.52 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hwx h ALA 272 CO 0.00 0.16 -0.04 1.79 0.00 0.00 0.00 179.25 181.16 3hwx h THR 273 N -1.00 0.23 -0.13 0.00 1.35 -1.24 -1.05 112.91 111.07 3hwx h THR 273 Ca -0.08 -0.29 -0.18 0.00 -0.55 0.00 0.00 66.41 65.31 3hwx h THR 273 Cb 1.04 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3hwx h THR 273 CO -0.05 0.04 -0.66 0.28 -0.25 0.00 0.00 175.52 174.88 3hwx h SER 274 N 0.00 0.60 -0.04 5.36 0.02 -0.87 -1.22 113.55 117.41 3hwx h SER 274 Ca -0.00 -0.37 -0.24 0.00 -0.84 0.00 0.00 61.79 60.34 3hwx h SER 274 Cb 0.22 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 62.60 3hwx h SER 274 CO 0.01 1.10 -0.92 -0.08 -1.14 0.00 0.00 176.83 175.79 3hwx h GLU 275 N 0.38 0.69 0.00 3.45 4.81 -1.31 -3.27 114.58 119.32 3hwx h GLU 275 Ca -0.02 -0.70 -0.03 0.00 -0.13 0.00 0.00 59.36 58.49 3hwx h GLU 275 Cb 1.23 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 3hwx h GLU 275 CO 0.12 1.28 -0.14 -0.07 -0.73 0.00 0.00 179.01 179.48 3hwx h LEU 276 N 0.37 0.00 0.00 1.64 3.38 -1.16 -1.95 115.31 117.59 3hwx h LEU 276 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hwx h LEU 276 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 3hwx h LEU 276 CO 0.18 0.14 0.00 1.67 0.09 0.00 0.00 178.44 180.52 3hwx n GLN 277 N -3.22 0.00 -0.01 1.13 7.27 -0.47 -1.77 117.38 120.31 3hwx n GLN 277 Ca 0.01 0.25 0.10 0.00 0.07 0.00 0.00 57.00 57.44 3hwx n GLN 277 Cb 0.44 -1.50 -0.17 0.00 2.41 0.00 0.00 30.24 31.42 3hwx n GLN 277 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hwx n GLN 278 N -1.26 0.66 -1.54 3.69 6.02 -0.73 -4.93 117.38 119.28 3hwx n GLN 278 Ca 0.00 -0.19 -0.50 0.00 -0.01 0.00 0.00 57.00 56.31 3hwx n GLN 278 Cb 0.00 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 3hwx n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwx n ALA 279 N -2.28 1.04 0.20 -1.58 0.00 -0.73 -4.80 120.51 112.36 3hwx n ALA 279 Ca -0.05 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3hwx n ALA 279 Cb 0.59 -2.57 0.13 0.00 0.00 0.00 0.00 19.45 17.61 3hwx n ALA 279 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hwx h GLN 280 N 11.69 0.00 -3.30 0.00 4.20 -0.93 -3.40 115.11 123.38 3hwx h GLN 280 Ca -0.36 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.19 3hwx h GLN 280 Cb 1.30 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.84 3hwx h GLN 280 CO 0.99 0.14 -0.47 -1.50 -0.67 0.00 0.00 178.83 177.32 3hwx s ILE 281 N -3.14 0.03 -0.09 2.54 1.10 -1.21 -0.04 121.20 120.38 3hwx s ILE 281 Ca 0.06 -0.22 0.04 0.00 -0.51 0.00 0.00 60.65 60.03 3hwx s ILE 281 Cb 0.06 -0.35 -0.00 0.00 0.15 0.00 0.00 42.46 42.32 3hwx s ILE 281 CO 0.69 -0.12 -0.23 -0.69 -2.11 0.00 0.00 174.94 172.48 3hwx s VAL 282 N -0.39 2.01 -0.29 4.00 1.01 -1.05 -2.28 120.40 123.41 3hwx s VAL 282 Ca -0.05 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3hwx s VAL 282 Cb -0.03 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.69 3hwx s VAL 282 CO 0.01 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 3hwx s VAL 283 N 0.30 2.23 -0.26 2.92 1.01 0.04 -0.81 120.40 125.84 3hwx s VAL 283 Ca -0.17 -1.89 -0.12 0.00 0.00 0.00 0.00 61.98 59.80 3hwx s VAL 283 Cb -0.17 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 3hwx s VAL 283 CO 0.08 -0.24 0.25 -1.58 0.00 0.00 0.00 175.10 173.62 3hwx s GLN 284 N 1.03 4.03 -0.28 2.72 0.74 -0.71 -1.63 119.66 125.55 3hwx s GLN 284 Ca -0.02 -0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.16 3hwx s GLN 284 Cb -0.20 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.29 3hwx s GLN 284 CO -0.06 -0.12 0.10 -0.51 -0.55 0.00 0.00 175.29 174.14 3hwx s LEU 285 N 1.59 3.74 0.00 3.68 2.01 0.44 -1.50 118.68 128.63 3hwx s LEU 285 Ca 0.11 -0.44 0.00 0.00 0.01 0.00 0.00 54.13 53.80 3hwx s LEU 285 Cb -0.15 -1.93 0.00 0.00 0.01 0.00 0.00 46.19 44.12 3hwx s LEU 285 CO 0.09 -0.12 0.00 0.61 1.01 0.00 0.00 176.35 177.93 3hwx n GLY 286 N 4.92 -2.78 0.00 -3.19 0.00 0.57 0.15 105.19 104.86 3hwx n GLY 286 Ca -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.02 0.00 -3.67 1.61 3.41 -1.25 -4.53 113.62 109.20 3hwx n SER 287 Ca 0.00 -0.42 -0.23 0.00 -0.26 0.00 0.00 58.87 57.96 3hwx n SER 287 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.61 -3.51 -4.77 4.04 7.64 -1.26 -1.77 113.62 113.39 3hwx n SER 288 Ca 0.00 -0.70 -0.40 0.00 1.01 0.00 0.00 58.87 58.78 3hwx n SER 288 Cb 0.00 -4.49 0.01 0.00 -1.01 0.00 0.00 64.21 58.72 3hwx n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hwx s LEU 289 N -6.91 4.18 0.00 -3.43 1.02 -1.26 -4.83 118.68 107.45 3hwx s LEU 289 Ca 0.31 2.90 0.00 0.00 0.02 0.00 0.00 54.13 57.35 3hwx s LEU 289 Cb -0.14 -3.87 0.00 0.00 0.02 0.00 0.00 46.19 42.20 3hwx s LEU 289 CO 0.78 -1.05 0.00 0.41 0.02 0.00 0.00 176.35 176.51 3hwx n THR 290 N 0.01 0.00 -0.96 5.49 -1.04 -1.26 -4.96 114.28 111.57 3hwx n THR 290 Ca 0.04 0.16 -0.32 0.00 -2.04 0.00 0.00 64.05 61.88 3hwx n THR 290 Cb 0.42 -0.75 0.14 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.44 1.96 0.30 3.41 0.00 -1.26 -4.89 107.32 105.39 3hwx s GLY 291 Ca 0.00 0.73 0.11 0.00 0.00 0.00 0.00 44.72 45.55 3hwx s GLY 291 CO 0.00 1.14 1.67 1.70 0.00 0.00 0.00 173.10 177.61 3hwx h LYS 292 N -1.29 0.01 -0.30 2.90 3.64 -1.95 -2.85 116.57 116.72 3hwx h LYS 292 Ca -0.45 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 3hwx h LYS 292 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3hwx h LYS 292 CO 0.44 0.56 0.01 0.00 -2.27 0.00 0.00 179.45 178.19 3hwx h ARG 293 N 0.01 0.53 -0.31 1.90 2.47 -1.93 -1.92 114.38 115.13 3hwx h ARG 293 Ca -0.01 -0.16 -0.12 0.00 -1.26 0.00 0.00 59.98 58.43 3hwx h ARG 293 Cb 0.98 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 3hwx h ARG 293 CO 0.07 0.67 -0.29 1.25 0.56 0.00 0.00 179.97 182.23 3hwx h LEU 294 N 0.33 0.78 -1.39 3.04 5.85 -1.88 0.64 115.31 122.68 3hwx h LEU 294 Ca 0.09 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hwx h LEU 294 Cb 0.42 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3hwx h LEU 294 CO 0.01 1.08 0.03 -0.07 -0.34 0.00 0.00 178.44 179.16 3hwx h LEU 295 N 0.49 0.40 -0.09 2.25 3.38 -1.54 -0.95 115.31 119.25 3hwx h LEU 295 Ca 0.05 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hwx h LEU 295 Cb 0.86 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hwx h LEU 295 CO 0.07 0.44 -0.27 1.56 0.09 0.00 0.00 178.44 180.34 3hwx h GLN 296 N 0.43 0.35 0.01 1.13 4.20 -0.59 -1.06 115.11 119.58 3hwx h GLN 296 Ca 0.10 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.58 3hwx h GLN 296 Cb 0.23 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3hwx h GLN 296 CO 0.00 0.87 -0.11 2.35 -0.67 0.00 0.00 178.83 181.27 3hwx h TRP 297 N -0.11 -0.28 -0.77 2.96 7.01 0.51 -2.16 115.95 123.10 3hwx h TRP 297 Ca -0.01 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.09 3hwx h TRP 297 Cb 0.89 0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 28.00 3hwx h TRP 297 CO 0.12 -0.17 0.43 0.37 -2.79 0.00 0.00 178.44 176.40 3hwx h GLN 298 N -0.19 0.71 -0.72 2.65 4.15 -1.12 1.07 115.11 121.65 3hwx h GLN 298 Ca 0.04 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3hwx h GLN 298 Cb 0.24 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 3hwx h GLN 298 CO -0.10 0.47 0.42 0.00 -1.93 0.00 0.00 178.83 177.68 3hwx h ALA 299 N 1.43 0.98 0.13 3.38 0.00 -1.03 -3.23 119.26 120.92 3hwx h ALA 299 Ca 0.37 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.96 3hwx h ALA 299 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hwx h ALA 299 CO -0.24 0.10 -1.72 0.66 0.00 0.00 0.00 179.25 178.05 3hwx h SER 300 N 0.76 0.43 -3.26 0.00 4.64 -0.31 -3.48 113.55 112.33 3hwx h SER 300 Ca 0.32 -0.70 -0.56 0.00 -0.47 0.00 0.00 61.79 60.38 3hwx h SER 300 Cb 0.19 -0.14 0.18 0.00 -0.31 0.00 0.00 62.40 62.33 3hwx h SER 300 CO -0.18 1.60 -0.33 0.00 -0.87 0.00 0.00 176.83 177.05 3hwx n GLU 302 N -0.80 1.07 -1.82 0.00 1.02 -1.26 -4.98 120.64 113.87 3hwx n GLU 302 Ca 0.11 -3.49 -0.31 0.00 -0.02 0.00 0.00 57.16 53.44 3hwx n GLU 302 Cb 0.50 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.60 3.28 0.24 3.49 0.04 -1.26 -4.95 135.00 134.24 3hwx s PRO 303 Ca 0.37 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 3hwx s PRO 303 Cb 0.19 -2.04 0.35 0.00 0.04 0.00 0.00 34.50 33.04 3hwx s PRO 303 CO -0.09 -0.83 1.83 0.93 0.04 0.00 0.00 177.00 178.89 3hwx h GLU 304 N -0.24 0.86 -4.86 4.56 5.08 -0.72 -3.41 114.58 115.86 3hwx h GLU 304 Ca -0.45 -0.05 -0.39 0.00 -1.00 0.00 0.00 59.36 57.47 3hwx h GLU 304 Cb 1.20 -0.19 -0.26 0.00 0.50 0.00 0.00 28.75 29.99 3hwx h GLU 304 CO 0.59 0.57 -0.78 -1.21 -1.00 0.00 0.00 179.01 177.18 3hwx s GLU 305 N -6.05 0.75 -0.21 2.33 2.02 -1.23 -4.76 118.70 111.54 3hwx s GLU 305 Ca -0.13 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3hwx s GLU 305 Cb 0.18 -0.70 0.02 0.00 0.10 0.00 0.00 34.13 33.73 3hwx s GLU 305 CO 0.78 0.18 -0.15 -0.47 0.02 0.00 0.00 175.26 175.63 3hwx s TYR 306 N -0.56 2.90 -0.08 1.61 6.14 -0.64 -2.53 117.35 124.19 3hwx s TYR 306 Ca 0.01 -1.61 -0.02 0.00 0.64 0.00 0.00 57.07 56.09 3hwx s TYR 306 Cb -0.06 -1.97 -0.03 0.00 0.42 0.00 0.00 41.96 40.32 3hwx s TYR 306 CO 0.00 -0.77 -0.01 -1.58 0.64 0.00 0.00 175.55 173.84 3hwx s TRP 307 N 1.30 3.14 -0.09 4.97 0.52 0.01 -1.96 118.94 126.83 3hwx s TRP 307 Ca 0.03 0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.35 3hwx s TRP 307 Cb -0.15 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 3hwx s TRP 307 CO -0.09 0.45 -0.17 0.42 0.02 0.00 0.00 176.95 177.58 3hwx s ILE 308 N -0.87 1.53 -0.13 2.03 1.01 -0.88 -1.74 121.20 122.14 3hwx s ILE 308 Ca 0.13 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3hwx s ILE 308 Cb -0.11 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3hwx s ILE 308 CO 0.02 0.44 -0.18 -0.69 0.00 0.00 0.00 174.94 174.53 3hwx s VAL 309 N 0.68 1.79 0.06 2.92 1.01 -0.56 -0.53 120.40 125.77 3hwx s VAL 309 Ca -0.13 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 3hwx s VAL 309 Cb -0.16 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.70 3hwx s VAL 309 CO 0.03 0.50 1.07 -0.62 0.00 0.00 0.00 175.10 176.08 3hwx s ASP 310 N 1.02 -0.15 -0.39 3.32 -1.08 -1.13 -0.32 116.67 117.94 3hwx s ASP 310 Ca -0.04 -0.26 0.06 0.00 -0.52 0.00 0.00 52.55 51.80 3hwx s ASP 310 Cb -0.15 0.35 0.65 0.00 -1.46 0.00 0.00 42.92 42.31 3hwx s ASP 310 CO -0.04 -0.64 1.80 -0.90 0.52 0.00 0.00 175.17 175.91 3hwx n ASP 311 N -0.43 3.66 -4.27 -0.34 5.75 -1.11 -2.13 116.55 117.68 3hwx n ASP 311 Ca -0.07 -3.57 -0.17 0.00 -0.01 0.00 0.00 54.79 50.97 3hwx n ASP 311 Cb 0.61 -0.78 -0.11 0.00 -1.03 0.00 0.00 41.12 39.82 3hwx n ASP 311 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3hwx s ILE 312 N -3.23 1.40 0.69 2.12 -4.36 -1.26 -4.81 121.20 111.74 3hwx s ILE 312 Ca 0.54 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.97 3hwx s ILE 312 Cb 0.46 -1.73 0.08 0.00 1.25 0.00 0.00 42.46 42.52 3hwx s ILE 312 CO 0.09 -0.53 0.98 -1.61 0.24 0.00 0.00 174.94 174.10 3hwx s GLU 313 N -3.15 2.01 0.29 0.37 2.02 -1.26 -4.87 118.70 114.11 3hwx s GLU 313 Ca 0.14 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.50 3hwx s GLU 313 Cb -0.02 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3hwx s GLU 313 CO 0.03 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.46 3hwx n GLY 314 N -2.83 -2.22 3.76 -1.39 0.00 -1.26 -4.86 105.19 96.39 3hwx n GLY 314 Ca 0.10 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3hwx n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 315 N -2.56 4.11 0.00 1.61 0.52 -1.26 -4.92 118.95 116.45 3hwx s ARG 315 Ca 0.00 2.58 0.00 0.00 -0.52 0.00 0.00 55.73 57.79 3hwx s ARG 315 Cb 0.00 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.47 3hwx s ARG 315 CO 0.00 -0.61 0.20 1.28 0.02 0.00 0.00 175.30 176.19 3hwx n LEU 316 N 1.58 0.40 -4.38 2.53 4.77 -1.26 -4.97 117.00 115.67 3hwx n LEU 316 Ca 0.06 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 3hwx n LEU 316 Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3hwx n LEU 316 CO 0.64 0.10 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.08 3hwx s ASP 317 N -0.47 5.87 0.26 -1.43 2.15 -1.26 -4.92 116.67 116.87 3hwx s ASP 317 Ca 0.00 -1.11 0.25 0.00 0.43 0.00 0.00 52.55 52.12 3hwx s ASP 317 Cb 0.00 -2.07 0.91 0.00 -0.30 0.00 0.00 42.92 41.45 3hwx s ASP 317 CO 0.00 -0.47 1.75 1.55 -0.17 0.00 0.00 175.17 177.83 3hwx h PRO 318 N 8.53 0.00 0.00 4.34 0.13 -1.99 -2.53 132.00 140.48 3hwx h PRO 318 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hwx h PRO 318 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hwx h PRO 318 CO 0.73 0.00 -0.46 0.00 -0.23 0.00 0.00 178.00 178.04 3hwx n ALA 319 N -1.81 2.76 -3.45 -0.56 0.00 -1.26 -5.03 120.51 111.16 3hwx n ALA 319 Ca 0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3hwx n ALA 319 Cb 0.33 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.15 -2.21 -2.66 0.00 -0.00 -0.95 -4.99 115.22 102.25 3hwx n HIS 320 Ca 0.04 0.70 -0.33 0.00 -0.00 0.00 0.00 57.72 58.12 3hwx n HIS 320 Cb 0.44 -3.90 -0.05 0.00 -0.00 0.00 0.00 29.99 26.48 3hwx n HIS 320 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3hwx s HIS 321 N -3.43 3.15 0.15 4.41 3.76 -1.26 -5.00 115.29 117.06 3hwx s HIS 321 Ca 0.43 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.61 3hwx s HIS 321 Cb -0.10 -2.96 -0.11 0.00 1.11 0.00 0.00 32.58 30.53 3hwx s HIS 321 CO 0.79 -0.49 1.75 0.50 -0.85 0.00 0.00 174.74 176.45 3hwx s ARG 322 N -3.23 4.15 0.00 1.40 3.52 -1.26 -4.80 118.95 118.72 3hwx s ARG 322 Ca 0.65 2.55 0.00 0.00 -0.13 0.00 0.00 55.73 58.80 3hwx s ARG 322 Cb -0.13 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 3hwx s ARG 322 CO 0.17 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 3hwx n GLY 323 N 4.09 -0.43 3.26 8.12 0.00 -1.26 -1.61 105.19 117.35 3hwx n GLY 323 Ca 0.17 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.13 1.06 -0.25 1.61 0.52 -0.83 -4.94 118.95 115.00 3hwx s ARG 324 Ca 0.00 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.05 3hwx s ARG 324 Cb 0.00 -1.23 0.08 0.00 0.52 0.00 0.00 34.95 34.32 3hwx s ARG 324 CO 0.00 0.28 0.06 0.50 0.02 0.00 0.00 175.30 176.16 3hwx s ARG 325 N -1.98 0.72 -0.22 3.54 6.06 -1.26 -2.08 118.95 123.73 3hwx s ARG 325 Ca 0.05 -0.75 -0.08 0.00 -2.50 0.00 0.00 55.73 52.45 3hwx s ARG 325 Cb -0.09 -2.03 -0.04 0.00 0.06 0.00 0.00 34.95 32.84 3hwx s ARG 325 CO 0.04 -0.81 0.10 -0.51 -2.50 0.00 0.00 175.30 171.61 3hwx s LEU 326 N 1.74 3.80 -0.24 -0.88 1.43 0.31 -4.99 118.68 119.84 3hwx s LEU 326 Ca 0.04 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3hwx s LEU 326 Cb -0.17 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3hwx s LEU 326 CO -0.17 0.08 0.18 -0.63 0.23 0.00 0.00 176.35 176.03 3hwx s ILE 327 N 0.97 5.34 0.00 -0.59 1.09 -1.26 -2.82 121.20 123.93 3hwx s ILE 327 Ca 0.05 0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.81 3hwx s ILE 327 Cb -0.14 -3.52 0.00 0.00 -1.06 0.00 0.00 42.46 37.74 3hwx s ILE 327 CO 0.03 0.32 0.00 0.00 -0.10 0.00 0.00 174.94 175.19 3hwx n ALA 328 N 4.43 0.00 -1.80 9.38 0.00 -0.90 -0.82 120.51 130.80 3hwx n ALA 328 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3hwx n ALA 328 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3hwx n ALA 328 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hwx s ASN 329 N 0.00 6.51 0.15 0.00 3.84 -1.26 -2.76 114.94 121.42 3hwx s ASN 329 Ca 0.00 2.60 -0.28 0.00 0.21 0.00 0.00 52.86 55.39 3hwx s ASN 329 Cb 0.00 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 3hwx s ASN 329 CO 0.00 -0.98 1.57 0.40 -2.79 0.00 0.00 177.10 175.30 3hwx h ILE 330 N 5.09 0.09 -0.55 -5.21 2.04 -1.93 -1.19 117.51 115.84 3hwx h ILE 330 Ca -0.45 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.52 3hwx h ILE 330 Cb 1.21 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 3hwx h ILE 330 CO 0.94 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 178.91 3hwx h ALA 331 N 0.34 0.27 -0.42 1.87 0.00 -1.92 0.72 119.26 120.12 3hwx h ALA 331 Ca 0.13 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3hwx h ALA 331 Cb 0.59 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3hwx h ALA 331 CO -0.58 -0.49 0.20 -0.44 0.00 0.00 0.00 179.25 177.94 3hwx h ASP 332 N -0.05 0.27 -0.36 0.00 3.32 -1.75 -1.88 116.42 115.97 3hwx h ASP 332 Ca 0.26 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.36 3hwx h ASP 332 Cb 0.45 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3hwx h ASP 332 CO -0.59 0.20 0.19 -0.25 -1.72 0.00 0.00 179.24 177.07 3hwx h TRP 333 N 0.40 0.36 -1.01 4.55 7.01 -0.40 -0.71 115.95 126.15 3hwx h TRP 333 Ca 0.18 0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.42 3hwx h TRP 333 Cb 0.11 -0.11 -0.11 0.00 -2.10 0.00 0.00 29.16 26.95 3hwx h TRP 333 CO -0.11 0.20 0.61 -0.07 -2.79 0.00 0.00 178.44 176.28 3hwx h LEU 334 N 0.39 0.69 -0.75 0.65 3.38 -0.34 0.26 115.31 119.59 3hwx h LEU 334 Ca 0.15 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3hwx h LEU 334 Cb 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hwx h LEU 334 CO -0.08 0.17 -0.38 -0.33 0.09 0.00 0.00 178.44 177.91 3hwx h GLU 335 N 0.63 0.00 0.00 1.13 5.08 -0.48 -2.84 114.58 118.10 3hwx h GLU 335 Ca 0.61 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.81 3hwx h GLU 335 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3hwx h GLU 335 CO -0.41 0.38 -0.87 1.25 -1.00 0.00 0.00 179.01 178.37 3hwx h LEU 336 N 0.00 0.00 -5.48 1.33 5.85 0.31 -3.38 115.31 113.95 3hwx h LEU 336 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.16 3hwx h LEU 336 Cb 0.99 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.60 3hwx h LEU 336 CO 0.05 0.67 -0.83 1.41 -0.34 0.00 0.00 178.44 179.41 3hwx n HIS 337 N -3.19 2.79 -0.72 1.25 8.25 0.73 -4.91 115.22 119.43 3hwx n HIS 337 Ca -0.02 -3.89 -0.30 0.00 -0.26 0.00 0.00 57.72 53.26 3hwx n HIS 337 Cb 0.83 -0.45 0.20 0.00 1.12 0.00 0.00 29.99 31.68 3hwx n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hwx s PRO 338 N -3.15 0.24 0.43 -0.41 0.04 -1.08 -4.86 135.00 126.21 3hwx s PRO 338 Ca 0.46 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 3hwx s PRO 338 Cb 0.31 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 33.10 3hwx s PRO 338 CO -0.12 -3.03 1.16 0.00 0.04 0.00 0.00 177.00 175.05 3hwx s ALA 339 N -2.62 3.04 -0.27 8.56 0.00 -1.26 -5.04 121.76 124.18 3hwx s ALA 339 Ca 0.67 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 3hwx s ALA 339 Cb -0.23 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.54 3hwx s ALA 339 CO 0.61 -0.57 -0.01 -2.00 0.00 0.00 0.00 175.76 173.78 3hwx s GLU 340 N -2.55 2.90 -0.26 0.00 2.12 -1.26 -5.00 118.70 114.66 3hwx s GLU 340 Ca 0.61 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.69 3hwx s GLU 340 Cb -0.29 -3.13 -0.07 0.00 0.26 0.00 0.00 34.13 30.90 3hwx s GLU 340 CO 0.35 -0.43 2.22 1.17 -0.54 0.00 0.00 175.26 178.04 3hwx n LYS 341 N 4.74 1.71 -4.41 4.30 3.00 -1.26 -4.55 118.16 121.68 3hwx n LYS 341 Ca -0.16 0.46 -0.21 0.00 -0.00 0.00 0.00 58.31 58.40 3hwx n LYS 341 Cb 0.47 -3.04 -0.10 0.00 0.00 0.00 0.00 35.03 32.36 3hwx n LYS 341 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hwx s ARG 342 N 6.36 1.52 0.12 1.64 0.52 -0.66 -5.01 118.95 123.43 3hwx s ARG 342 Ca 1.03 -1.70 -0.21 0.00 -0.52 0.00 0.00 55.73 54.33 3hwx s ARG 342 Cb -0.47 -1.43 -0.07 0.00 0.52 0.00 0.00 34.95 33.49 3hwx s ARG 342 CO 0.39 0.24 0.65 1.14 0.02 0.00 0.00 175.30 177.74 3hwx s GLN 343 N -3.59 4.32 0.30 3.54 -2.07 -1.26 -3.97 119.66 116.93 3hwx s GLN 343 Ca 0.27 0.88 -0.29 0.00 -1.82 0.00 0.00 55.36 54.40 3hwx s GLN 343 Cb -0.02 -3.20 -0.13 0.00 -1.09 0.00 0.00 33.01 28.57 3hwx s GLN 343 CO 0.11 0.59 1.35 -2.30 -1.32 0.00 0.00 175.29 173.72 3hwx n PRO 344 N 1.56 2.11 -0.08 9.60 -0.02 -1.26 -4.82 135.00 142.09 3hwx n PRO 344 Ca -0.08 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3hwx n PRO 344 Cb 0.50 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.08 0.38 -2.19 6.00 4.27 -1.11 -4.90 117.44 120.97 3hwx n TRP 345 Ca 0.08 0.11 -0.41 0.00 -3.89 0.00 0.00 57.50 53.39 3hwx n TRP 345 Cb 0.34 -1.06 -0.03 0.00 -1.36 0.00 0.00 31.31 29.21 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 1.12 0.32 -0.02 0.00 0.31 -1.26 -4.83 118.33 113.96 3hwx n VAL 347 Ca 0.01 -0.18 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 3hwx n VAL 347 Cb 0.42 -0.85 -0.13 0.00 -0.91 0.00 0.00 33.84 32.38 3hwx n VAL 347 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3hwx n GLU 348 N -2.26 0.64 0.00 5.55 0.28 -1.26 -4.24 120.64 119.35 3hwx n GLU 348 Ca -0.08 0.17 0.02 0.00 -0.16 0.00 0.00 57.16 57.11 3hwx n GLU 348 Cb 0.64 -1.71 0.37 0.00 1.43 0.00 0.00 31.44 32.17 3hwx n GLU 348 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3hwx h ILE 349 N 0.00 1.15 -0.27 3.84 2.04 -1.89 0.60 117.51 122.97 3hwx h ILE 349 Ca -0.30 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3hwx h ILE 349 Cb 1.88 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3hwx h ILE 349 CO 0.05 0.18 -0.05 -0.65 0.00 0.00 0.00 178.15 177.68 3hwx h PRO 350 N 0.53 0.43 -0.16 2.37 0.11 -1.88 -1.38 132.00 132.01 3hwx h PRO 350 Ca 0.13 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 3hwx h PRO 350 Cb 0.11 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 3hwx h PRO 350 CO -0.01 0.49 -0.15 0.00 -0.21 0.00 0.00 178.00 178.12 3hwx h ARG 351 N 0.41 0.38 -0.91 1.05 3.08 -1.52 -2.68 114.38 114.19 3hwx h ARG 351 Ca 0.09 -0.20 0.12 0.00 0.07 0.00 0.00 59.98 60.06 3hwx h ARG 351 Cb 0.34 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 3hwx h ARG 351 CO 0.01 0.75 0.53 -0.07 -1.07 0.00 0.00 179.97 180.12 3hwx h LEU 352 N 0.02 0.74 0.00 3.04 3.38 -0.84 -0.09 115.31 121.55 3hwx h LEU 352 Ca 0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hwx h LEU 352 Cb 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hwx h LEU 352 CO 0.04 0.37 -0.00 0.00 0.09 0.00 0.00 178.44 178.94 3hwx h ALA 353 N 1.52 -0.01 -1.01 1.53 0.00 -1.24 -2.61 119.26 117.45 3hwx h ALA 353 Ca 0.46 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3hwx h ALA 353 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3hwx h ALA 353 CO -0.29 -0.34 0.66 1.49 0.00 0.00 0.00 179.25 180.77 3hwx h GLU 354 N -0.34 1.22 -0.53 0.00 4.81 -1.04 -2.15 114.58 116.56 3hwx h GLU 354 Ca -0.00 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 3hwx h GLU 354 Cb 0.33 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3hwx h GLU 354 CO 0.00 0.81 0.05 1.96 -0.73 0.00 0.00 179.01 181.10 3hwx h GLN 355 N 1.26 0.86 0.48 1.92 4.20 -0.99 -2.77 115.11 120.07 3hwx h GLN 355 Ca 0.41 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3hwx h GLN 355 Cb 0.03 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hwx h GLN 355 CO -0.13 0.83 -0.23 0.00 -0.67 0.00 0.00 178.83 178.63 3hwx h ALA 356 N 1.24 -0.65 -0.91 3.87 0.00 -1.00 -1.43 119.26 120.38 3hwx h ALA 356 Ca 0.16 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.12 3hwx h ALA 356 Cb 0.42 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3hwx h ALA 356 CO 0.01 -0.77 0.61 1.98 0.00 0.00 0.00 179.25 181.08 3hwx h MET 357 N -0.82 0.28 0.15 0.00 1.85 -1.45 -0.08 114.93 114.85 3hwx h MET 357 Ca -0.07 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 3hwx h MET 357 Cb 0.57 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.54 3hwx h MET 357 CO 0.11 0.18 -0.07 1.96 -0.40 0.00 0.00 176.91 178.69 3hwx h GLN 358 N 0.29 -0.19 -1.01 0.39 4.20 -1.30 0.21 115.11 117.68 3hwx h GLN 358 Ca 0.47 0.01 0.29 0.00 0.06 0.00 0.00 58.65 59.48 3hwx h GLN 358 Cb 1.35 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 29.04 3hwx h GLN 358 CO -0.14 0.13 0.59 0.00 -0.67 0.00 0.00 178.83 178.74 3hwx h ALA 359 N 0.25 1.91 0.07 3.87 0.00 0.03 -0.08 119.26 125.30 3hwx h ALA 359 Ca -0.02 0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 3hwx h ALA 359 Cb 0.41 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hwx h ALA 359 CO 0.03 -0.45 -1.10 0.28 0.00 0.00 0.00 179.25 178.01 3hwx h VAL 360 N 0.44 1.40 0.00 0.00 2.07 -0.78 -2.66 116.25 116.71 3hwx h VAL 360 Ca 0.69 -2.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 3hwx h VAL 360 Cb 1.49 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.88 3hwx h VAL 360 CO -0.53 0.78 -0.17 0.16 0.02 0.00 0.00 177.57 177.83 3hwx h ILE 361 N 0.20 0.56 0.00 4.57 3.07 0.51 -2.52 117.51 123.91 3hwx h ILE 361 Ca -0.12 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.51 3hwx h ILE 361 Cb 1.77 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.83 3hwx h ILE 361 CO 0.19 0.16 0.00 0.00 -1.05 0.00 0.00 178.15 177.46 3hwx n ALA 362 N -2.26 1.89 0.13 0.16 0.00 -0.15 -2.47 120.51 117.82 3hwx n ALA 362 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3hwx n ALA 362 Cb 0.32 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.50 3hwx n ALA 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hwx n ARG 363 N -2.03 1.93 0.00 0.00 5.12 -0.96 -4.77 116.66 115.95 3hwx n ARG 363 Ca 0.04 -1.76 0.09 0.00 -1.93 0.00 0.00 57.85 54.29 3hwx n ARG 363 Cb 0.28 -1.29 0.50 0.00 -1.16 0.00 0.00 32.46 30.79 3hwx n ARG 363 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hwx n ARG 364 N 0.72 0.39 -0.08 5.56 -4.01 -1.03 -3.99 116.66 114.22 3hwx n ARG 364 Ca 0.11 0.07 -0.19 0.00 -1.04 0.00 0.00 57.85 56.79 3hwx n ARG 364 Cb 0.40 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.20 3hwx n ARG 364 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 3hwx h ASP 365 N 0.00 0.05 -1.75 2.89 3.32 -1.86 -3.47 116.42 115.60 3hwx h ASP 365 Ca 0.00 -0.71 -0.63 0.00 0.02 0.00 0.00 57.03 55.71 3hwx h ASP 365 Cb 0.10 -0.02 0.12 0.00 0.22 0.00 0.00 39.33 39.76 3hwx h ASP 365 CO 0.00 1.35 -0.36 0.00 -1.72 0.00 0.00 179.24 178.52 3hwx n ALA 366 N -3.11 -1.86 -2.37 3.45 0.00 -1.26 -4.86 120.51 110.51 3hwx n ALA 366 Ca -0.24 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 3hwx n ALA 366 Cb 0.65 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.20 3.73 -4.31 0.00 7.35 -1.26 -4.70 117.46 118.07 3hwx n PHE 367 Ca 0.14 -2.96 -0.19 0.00 -0.76 0.00 0.00 57.45 53.68 3hwx n PHE 367 Cb 0.31 -2.22 -0.09 0.00 0.35 0.00 0.00 39.48 37.83 3hwx n PHE 367 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hwx s GLY 368 N 2.23 2.15 0.07 7.13 0.00 -1.26 -4.88 107.32 112.76 3hwx s GLY 368 Ca 0.44 -1.84 0.08 0.00 0.00 0.00 0.00 44.72 43.40 3hwx s GLY 368 CO -0.01 -1.53 1.11 1.05 0.00 0.00 0.00 173.10 173.72 3hwx h GLU 369 N 2.19 0.02 -0.49 2.90 4.11 -1.92 -1.45 114.58 119.94 3hwx h GLU 369 Ca -0.30 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.20 3hwx h GLU 369 Cb 1.24 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 3hwx h GLU 369 CO 0.45 0.88 -0.13 0.00 0.07 0.00 0.00 179.01 180.29 3hwx h ALA 370 N 0.97 0.32 -0.13 1.06 0.00 -1.88 -1.71 119.26 117.88 3hwx h ALA 370 Ca -0.09 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3hwx h ALA 370 Cb 1.84 0.38 0.00 0.00 0.00 0.00 0.00 17.79 20.02 3hwx h ALA 370 CO 0.12 -0.45 -0.46 1.96 0.00 0.00 0.00 179.25 180.43 3hwx h GLN 371 N -0.01 0.55 0.06 0.00 7.50 -1.65 -2.54 115.11 119.03 3hwx h GLN 371 Ca 0.24 -0.41 0.02 0.00 0.50 0.00 0.00 58.65 59.00 3hwx h GLN 371 Cb 0.36 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.93 3hwx h GLN 371 CO -0.51 1.03 -0.24 1.25 -1.50 0.00 0.00 178.83 178.86 3hwx h LEU 372 N 0.17 -0.69 -0.77 1.46 5.85 -1.29 1.20 115.31 121.23 3hwx h LEU 372 Ca -0.02 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3hwx h LEU 372 Cb 1.09 0.27 -0.15 0.00 0.37 0.00 0.00 40.66 42.24 3hwx h LEU 372 CO 0.10 -0.32 -0.18 0.00 -0.34 0.00 0.00 178.44 177.69 3hwx h ALA 373 N 0.39 0.53 0.00 1.25 0.00 -1.32 0.50 119.26 120.61 3hwx h ALA 373 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hwx h ALA 373 Cb 0.46 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hwx h ALA 373 CO -0.17 -0.41 0.00 1.25 0.00 0.00 0.00 179.25 179.92 3hwx h HIS 374 N 0.00 0.00 0.00 0.00 -0.00 -0.85 -3.08 115.15 111.22 3hwx h HIS 374 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 3hwx h HIS 374 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 3hwx h HIS 374 CO -0.61 0.00 -0.56 0.54 -0.00 0.00 0.00 177.93 177.31 3hwx n ARG 375 N -2.84 0.02 -0.36 5.26 1.74 0.40 -4.66 116.66 116.21 3hwx n ARG 375 Ca 0.04 0.00 0.27 0.00 -0.77 0.00 0.00 57.85 57.40 3hwx n ARG 375 Cb 0.47 -1.51 0.54 0.00 -1.02 0.00 0.00 32.46 30.94 3hwx n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hwx h ILE 376 N 0.00 0.34 0.00 0.55 6.09 -0.05 0.44 117.51 124.88 3hwx h ILE 376 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 3hwx h ILE 376 Cb 0.52 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.83 3hwx h ILE 376 CO 0.00 0.05 0.00 0.00 -3.07 0.00 0.00 178.15 175.13 3hwx h ASP 378 N 0.00 0.00 -0.00 0.00 3.32 -0.47 -3.29 116.42 115.98 3hwx h ASP 378 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hwx h ASP 378 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hwx h ASP 378 CO 0.00 0.19 -0.94 -1.22 -1.72 0.00 0.00 179.24 175.55 3hwx n TYR 379 N -3.87 0.00 -1.73 4.55 4.01 0.51 -4.97 117.16 115.66 3hwx n TYR 379 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3hwx n TYR 379 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.47 4.11 -4.76 7.72 4.77 -1.05 -4.93 117.00 121.40 3hwx n LEU 380 Ca 0.04 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 3hwx n LEU 380 Cb 0.31 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.81 3hwx n LEU 380 CO 0.41 0.11 1.03 -2.16 -1.33 0.00 0.00 177.39 175.44 3hwx s PRO 381 N 0.15 4.32 0.05 3.23 0.04 -1.26 -4.96 135.00 136.58 3hwx s PRO 381 Ca 0.69 2.24 -0.31 0.00 0.04 0.00 0.00 61.00 63.66 3hwx s PRO 381 Cb -0.52 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 30.85 3hwx s PRO 381 CO 0.42 -0.29 1.58 -2.00 0.04 0.00 0.00 177.00 176.76 3hwx s GLU 382 N -1.09 4.22 -0.90 4.56 2.12 -1.26 -0.82 118.70 125.52 3hwx s GLU 382 Ca 0.54 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.10 3hwx s GLU 382 Cb -0.40 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.41 3hwx s GLU 382 CO 0.48 -0.69 0.00 1.04 -0.54 0.00 0.00 175.26 175.55 3hwx n GLN 383 N 5.48 -0.72 -0.39 4.30 1.13 -1.26 -4.87 117.38 121.05 3hwx n GLN 383 Ca 0.15 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 3hwx n GLN 383 Cb 0.41 -4.60 0.00 0.00 0.11 0.00 0.00 30.24 26.16 3hwx n GLN 383 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hwx n GLY 384 N -1.35 1.78 3.07 1.08 0.00 -0.00 -4.55 105.19 105.21 3hwx n GLY 384 Ca -0.11 -2.06 -0.07 0.00 0.00 0.00 0.00 46.02 43.78 3hwx n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hwx s GLN 385 N 0.85 0.55 -0.18 1.61 -2.07 -0.99 -4.50 119.66 114.94 3hwx s GLN 385 Ca 0.00 -1.09 -0.03 0.00 -1.82 0.00 0.00 55.36 52.42 3hwx s GLN 385 Cb 0.00 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 3hwx s GLN 385 CO 0.00 -0.10 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.64 3hwx s LEU 386 N -2.63 2.99 -0.23 2.60 2.96 -0.33 -2.41 118.68 121.64 3hwx s LEU 386 Ca 0.02 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 3hwx s LEU 386 Cb 0.04 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3hwx s LEU 386 CO -0.08 0.09 0.08 0.12 -1.32 0.00 0.00 176.35 175.24 3hwx s PHE 387 N 0.81 3.16 -0.16 5.38 5.36 -0.05 -0.33 117.98 132.16 3hwx s PHE 387 Ca -0.02 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 3hwx s PHE 387 Cb -0.15 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 3hwx s PHE 387 CO 0.01 -0.13 -0.15 0.08 -1.46 0.00 0.00 175.22 173.57 3hwx s VAL 388 N 1.15 2.62 0.00 3.12 1.01 -0.75 -1.55 120.40 126.01 3hwx s VAL 388 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3hwx s VAL 388 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3hwx s VAL 388 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3hwx n GLY 389 N 4.15 -2.86 0.00 4.51 0.00 0.51 -4.44 105.19 107.06 3hwx n GLY 389 Ca -0.19 -1.35 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 -2.14 0.00 0.00 1.61 3.02 -1.26 -4.29 115.26 112.19 3hwx n ASN 390 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hwx n ASN 390 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.00 0.00 -0.02 6.41 2.88 -1.26 -3.59 113.62 118.04 3hwx n SER 391 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3hwx n SER 391 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.36 -0.79 2.46 3.38 -1.98 -3.32 115.31 115.43 3hwx h LEU 392 Ca 0.00 -0.75 0.16 0.00 0.09 0.00 0.00 57.88 57.39 3hwx h LEU 392 Cb 0.00 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.53 3hwx h LEU 392 CO 0.00 1.06 0.30 1.62 0.09 0.00 0.00 178.44 181.51 3hwx h VAL 393 N -0.30 0.59 -0.07 1.22 3.04 -1.89 0.95 116.25 119.79 3hwx h VAL 393 Ca -0.04 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.37 3hwx h VAL 393 Cb 1.11 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 3hwx h VAL 393 CO 0.08 0.07 -0.57 1.62 -1.01 0.00 0.00 177.57 177.76 3hwx h VAL 394 N 0.41 1.38 0.03 1.51 3.04 -1.73 0.62 116.25 121.50 3hwx h VAL 394 Ca 0.45 -1.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.23 3hwx h VAL 394 Cb 0.74 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3hwx h VAL 394 CO -0.45 0.56 -0.01 0.03 -1.01 0.00 0.00 177.57 176.69 3hwx h ARG 395 N 0.17 -0.04 -0.46 4.17 3.08 0.07 0.01 114.38 121.39 3hwx h ARG 395 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3hwx h ARG 395 Cb 1.06 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.04 3hwx h ARG 395 CO 0.09 0.49 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.39 3hwx h LEU 396 N -0.58 -0.22 -0.38 3.04 3.38 0.80 0.17 115.31 121.52 3hwx h LEU 396 Ca -0.00 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3hwx h LEU 396 Cb 0.54 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hwx h LEU 396 CO 0.01 -0.07 -0.04 0.40 0.09 0.00 0.00 178.44 178.83 3hwx h ILE 397 N 0.10 1.27 -0.56 1.22 2.04 0.20 -2.68 117.51 119.09 3hwx h ILE 397 Ca 0.23 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 65.10 3hwx h ILE 397 Cb 0.34 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 3hwx h ILE 397 CO -0.39 0.36 0.19 -0.78 0.00 0.00 0.00 178.15 177.53 3hwx h ASP 398 N 0.51 0.18 1.09 1.72 3.58 0.25 -0.45 116.42 123.30 3hwx h ASP 398 Ca 0.10 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.53 3hwx h ASP 398 Cb 0.53 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 3hwx h ASP 398 CO 0.03 0.12 -0.96 0.00 -2.88 0.00 0.00 179.24 175.55 3hwx h ALA 399 N 1.39 0.65 0.00 -0.78 0.00 -0.77 -3.40 119.26 116.35 3hwx h ALA 399 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 399 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hwx h ALA 399 CO -0.29 0.53 -0.85 1.28 0.00 0.00 0.00 179.25 179.93 3hwx n LEU 400 N -2.94 0.13 -4.64 0.00 4.77 -1.01 -3.83 117.00 109.47 3hwx n LEU 400 Ca -0.03 -0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 3hwx n LEU 400 Cb 0.71 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 3hwx n LEU 400 CO 0.41 0.03 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.64 3hwx s SER 401 N -2.22 4.39 -0.31 -1.43 0.15 -0.19 -4.57 113.70 109.51 3hwx s SER 401 Ca -0.00 -0.81 0.02 0.00 0.70 0.00 0.00 55.95 55.86 3hwx s SER 401 Cb 0.04 -0.68 0.09 0.00 -1.71 0.00 0.00 66.02 63.76 3hwx s SER 401 CO 0.26 -0.13 0.04 -1.58 1.20 0.00 0.00 173.24 173.03 3hwx s GLN 402 N -3.71 1.34 0.22 5.44 0.74 -1.26 -4.49 119.66 117.94 3hwx s GLN 402 Ca 0.34 -1.51 -0.24 0.00 0.05 0.00 0.00 55.36 54.00 3hwx s GLN 402 Cb -0.04 -2.78 -0.08 0.00 1.10 0.00 0.00 33.01 31.21 3hwx s GLN 402 CO 0.20 -0.88 0.81 -0.51 -0.55 0.00 0.00 175.29 174.35 3hwx s LEU 403 N 1.17 4.48 0.48 3.68 1.43 -1.26 -4.93 118.68 123.72 3hwx s LEU 403 Ca 0.07 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 54.58 3hwx s LEU 403 Cb -0.19 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 3hwx s LEU 403 CO -0.12 0.10 1.23 -2.16 0.23 0.00 0.00 176.35 175.63 3hwx s PRO 404 N -1.56 3.62 0.24 1.29 0.04 -1.26 -3.84 135.00 133.52 3hwx s PRO 404 Ca 0.41 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 63.07 3hwx s PRO 404 Cb -0.21 -2.41 -0.13 0.00 0.04 0.00 0.00 34.50 31.80 3hwx s PRO 404 CO 0.25 -0.71 1.57 0.00 0.04 0.00 0.00 177.00 178.15 3hwx n ALA 405 N -0.56 2.06 -0.97 8.56 0.00 -1.26 -2.75 120.51 125.59 3hwx n ALA 405 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3hwx n ALA 405 Cb 0.47 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3hwx n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwx n GLY 406 N 2.75 0.83 3.70 0.00 0.00 0.45 -4.89 105.19 108.02 3hwx n GLY 406 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3hwx n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hwx s TYR 407 N -3.39 3.53 0.14 1.61 6.14 -1.11 -4.80 117.35 119.47 3hwx s TYR 407 Ca 0.00 1.34 -0.31 0.00 0.64 0.00 0.00 57.07 58.74 3hwx s TYR 407 Cb 0.00 -2.95 -0.10 0.00 0.42 0.00 0.00 41.96 39.33 3hwx s TYR 407 CO 0.00 -0.07 1.57 -2.14 0.64 0.00 0.00 175.55 175.55 3hwx s PRO 408 N 1.41 4.22 -0.11 4.97 0.02 -1.26 -4.72 135.00 139.53 3hwx s PRO 408 Ca 0.41 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.79 3hwx s PRO 408 Cb -0.18 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.11 3hwx s PRO 408 CO 0.18 -0.62 -0.20 0.08 -0.33 0.00 0.00 177.00 176.10 3hwx s VAL 409 N 1.40 1.86 0.01 3.83 1.01 -1.26 -1.19 120.40 126.06 3hwx s VAL 409 Ca 0.70 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3hwx s VAL 409 Cb -0.43 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3hwx s VAL 409 CO 0.31 0.51 -0.24 -0.31 0.00 0.00 0.00 175.10 175.37 3hwx s TYR 410 N 0.64 2.16 0.22 5.22 2.02 0.55 -4.96 117.35 123.19 3hwx s TYR 410 Ca -0.13 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.15 3hwx s TYR 410 Cb -0.16 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 3hwx s TYR 410 CO 0.03 0.02 0.32 -1.13 -1.57 0.00 0.00 175.55 173.22 3hwx n SER 411 N 2.21 -0.89 -3.51 2.29 3.41 -1.26 -1.80 113.62 114.07 3hwx n SER 411 Ca -0.16 -2.15 -0.27 0.00 -0.26 0.00 0.00 58.87 56.03 3hwx n SER 411 Cb 0.52 1.63 -0.09 0.00 -0.26 0.00 0.00 64.21 66.01 3hwx n SER 411 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hwx n ASN 412 N -1.78 2.56 -1.24 4.04 3.02 -1.26 -4.95 115.26 115.66 3hwx n ASN 412 Ca -0.00 -3.16 0.11 0.00 -0.03 0.00 0.00 54.58 51.51 3hwx n ASN 412 Cb 0.36 -0.68 0.29 0.00 -0.61 0.00 0.00 39.78 39.14 3hwx n ASN 412 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hwx n ARG 413 N 1.42 2.56 0.12 3.52 5.12 -1.26 -2.98 116.66 125.16 3hwx n ARG 413 Ca 0.26 -2.42 -0.05 0.00 -1.93 0.00 0.00 57.85 53.71 3hwx n ARG 413 Cb 0.42 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 30.17 3hwx n ARG 413 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3hwx h GLY 414 N 4.52 -0.32 0.00 -0.13 0.00 -1.92 -3.37 103.07 101.84 3hwx h GLY 414 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3hwx h GLY 414 CO 0.00 -0.12 -1.81 0.00 0.00 0.00 0.00 176.54 174.61 3hwx n ALA 415 N -2.18 2.81 -2.98 3.60 0.00 -1.26 -5.03 120.51 115.46 3hwx n ALA 415 Ca -0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 3hwx n ALA 415 Cb 0.12 -0.66 0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.12 -2.91 -4.76 0.00 7.64 -1.16 -4.99 113.62 105.31 3hwx n SER 416 Ca -0.03 -0.37 -0.38 0.00 1.01 0.00 0.00 58.87 59.10 3hwx n SER 416 Cb 0.49 -3.36 0.01 0.00 -1.01 0.00 0.00 64.21 60.34 3hwx n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hwx s GLY 417 N -3.63 2.83 -0.12 0.23 0.00 -1.26 -4.90 107.32 100.47 3hwx s GLY 417 Ca 0.12 1.11 0.16 0.00 0.00 0.00 0.00 44.72 46.12 3hwx s GLY 417 CO 0.45 1.60 1.53 0.29 0.00 0.00 0.00 173.10 176.98 3hwx n ILE 418 N -0.68 1.91 0.47 0.90 -5.35 -1.26 -4.45 119.36 110.90 3hwx n ILE 418 Ca 0.08 -1.36 0.11 0.00 -0.27 0.00 0.00 62.75 61.32 3hwx n ILE 418 Cb 0.47 0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 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 0.56 0.53 0.00 7.28 5.75 -1.26 -4.57 116.55 124.85 3hwx n ASP 419 Ca 0.23 -0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 3hwx n ASP 419 Cb 0.85 1.15 0.00 0.00 -1.03 0.00 0.00 41.12 42.09 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 1.36 2.08 0.13 6.12 0.00 -1.26 -4.59 105.19 109.03 3hwx n GLY 420 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hwx n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hwx h LEU 421 N 0.00 0.35 -0.15 0.99 3.38 -1.85 0.10 115.31 118.13 3hwx h LEU 421 Ca 0.00 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3hwx h LEU 421 Cb 0.41 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hwx h LEU 421 CO 0.00 0.62 -0.16 -0.07 0.09 0.00 0.00 178.44 178.92 3hwx h LEU 422 N 0.08 0.39 -0.94 1.67 3.38 -1.88 -2.01 115.31 116.00 3hwx h LEU 422 Ca 0.05 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 3hwx h LEU 422 Cb 0.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hwx h LEU 422 CO 0.02 0.80 -0.16 0.77 0.09 0.00 0.00 178.44 179.96 3hwx h SER 423 N -0.00 0.59 0.74 -0.43 4.64 -1.83 -2.04 113.55 115.22 3hwx h SER 423 Ca 0.02 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3hwx h SER 423 Cb 0.69 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hwx h SER 423 CO 0.04 0.77 -0.45 0.74 -0.87 0.00 0.00 176.83 177.05 3hwx h THR 424 N 0.54 0.00 -0.20 2.95 2.02 -0.70 -2.41 112.91 115.12 3hwx h THR 424 Ca 0.09 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 3hwx h THR 424 Cb 0.58 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3hwx h THR 424 CO 0.04 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.39 3hwx h ALA 425 N -1.24 1.75 -0.05 6.16 0.00 -1.31 0.28 119.26 124.85 3hwx h ALA 425 Ca -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hwx h ALA 425 Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hwx h ALA 425 CO 0.10 -0.57 -0.17 0.00 0.00 0.00 0.00 179.25 178.61 3hwx h ALA 426 N 1.26 0.09 -0.13 0.00 0.00 -0.90 -2.99 119.26 116.59 3hwx h ALA 426 Ca 0.10 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3hwx h ALA 426 Cb 1.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3hwx h ALA 426 CO -0.00 0.03 -0.13 0.78 0.00 0.00 0.00 179.25 179.93 3hwx h GLY 427 N -0.34 -0.05 -0.43 0.00 0.00 -0.02 -1.21 103.07 101.03 3hwx h GLY 427 Ca -0.01 0.16 0.35 0.00 0.00 0.00 0.00 47.33 47.83 3hwx h GLY 427 CO 0.04 -0.14 0.86 -2.08 0.00 0.00 0.00 176.54 175.22 3hwx h VAL 428 N -0.16 0.40 0.08 4.60 2.07 -1.12 -1.65 116.25 120.46 3hwx h VAL 428 Ca 0.09 -0.01 -0.26 0.00 0.82 0.00 0.00 66.70 67.33 3hwx h VAL 428 Cb 0.29 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3hwx h VAL 428 CO -0.22 0.01 -1.37 -0.61 0.02 0.00 0.00 177.57 175.39 3hwx h GLN 429 N 0.04 0.16 -0.71 1.57 -0.00 -1.12 -3.30 115.11 111.76 3hwx h GLN 429 Ca 0.59 -0.28 -0.06 0.00 -0.00 0.00 0.00 58.65 58.91 3hwx h GLN 429 Cb 2.25 0.10 -0.03 0.00 0.00 0.00 0.00 27.48 29.81 3hwx h GLN 429 CO -0.04 1.13 0.23 0.00 0.00 0.00 0.00 178.83 180.14 3hwx h ARG 430 N -0.49 1.10 -0.31 1.69 3.08 -0.63 -0.94 114.38 117.88 3hwx h ARG 430 Ca -0.32 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.42 3hwx h ARG 430 Cb 1.63 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 3hwx h ARG 430 CO -0.02 0.93 -0.17 0.00 -1.07 0.00 0.00 179.97 179.64 3hwx h ALA 431 N 1.19 1.13 0.00 0.04 0.00 -1.48 -3.29 119.26 116.85 3hwx h ALA 431 Ca 0.23 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 3hwx h ALA 431 Cb 0.29 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3hwx h ALA 431 CO -0.01 0.54 -2.28 -1.13 0.00 0.00 0.00 179.25 176.37 3hwx n SER 432 N -4.16 0.13 0.00 0.00 3.41 -1.20 -4.87 113.62 106.93 3hwx n SER 432 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hwx n SER 432 Cb 0.36 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 3hwx n SER 432 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hwx n GLY 433 N 1.69 0.44 3.81 5.00 0.00 -0.36 -5.00 105.19 110.77 3hwx n GLY 433 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3hwx n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwx s LYS 434 N -0.47 4.22 0.29 1.61 1.02 -1.25 -4.58 119.74 120.59 3hwx s LYS 434 Ca 0.00 0.77 -0.25 0.00 0.02 0.00 0.00 55.97 56.52 3hwx s LYS 434 Cb 0.00 -3.17 -0.16 0.00 -0.52 0.00 0.00 37.83 33.98 3hwx s LYS 434 CO 0.00 0.59 0.31 -0.35 -0.92 0.00 0.00 175.35 174.98 3hwx n PRO 435 N 1.48 0.00 -3.80 -1.68 -0.04 -1.26 -4.80 135.00 124.90 3hwx n PRO 435 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 3hwx n PRO 435 Cb 0.51 -0.99 -0.15 0.00 -0.04 0.00 0.00 33.50 32.83 3hwx n PRO 435 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hwx s THR 436 N -1.31 -0.03 -0.26 0.52 2.01 -0.70 -2.34 115.64 113.53 3hwx s THR 436 Ca 0.61 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.67 3hwx s THR 436 Cb -0.78 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 3hwx s THR 436 CO 0.59 0.05 0.02 -0.22 -0.69 0.00 0.00 174.62 174.36 3hwx s LEU 437 N 0.63 3.37 -0.14 4.42 2.96 -1.01 0.17 118.68 129.08 3hwx s LEU 437 Ca -0.05 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 3hwx s LEU 437 Cb -0.07 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3hwx s LEU 437 CO -0.02 -0.09 -0.07 0.00 -1.32 0.00 0.00 176.35 174.84 3hwx s ALA 438 N 1.50 2.89 -0.15 5.97 0.00 0.10 -0.87 121.76 131.20 3hwx s ALA 438 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3hwx s ALA 438 Cb -0.16 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3hwx s ALA 438 CO -0.00 0.27 -0.21 0.42 0.00 0.00 0.00 175.76 176.24 3hwx s ILE 439 N 0.20 2.03 0.03 0.00 1.01 -0.60 -0.20 121.20 123.67 3hwx s ILE 439 Ca -0.04 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.67 3hwx s ILE 439 Cb -0.14 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 3hwx s ILE 439 CO 0.04 0.54 -0.06 -0.69 0.00 0.00 0.00 174.94 174.77 3hwx s VAL 440 N 0.98 0.39 0.85 2.92 1.01 0.43 -0.36 120.40 126.61 3hwx s VAL 440 Ca -0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 3hwx s VAL 440 Cb -0.15 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 35.87 3hwx s VAL 440 CO -0.06 -0.35 1.09 -0.83 0.00 0.00 0.00 175.10 174.95 3hwx s GLY 441 N -1.35 1.63 0.07 4.51 0.00 -1.26 -1.22 107.32 109.71 3hwx s GLY 441 Ca -0.10 -0.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.31 3hwx s GLY 441 CO -0.00 0.39 1.66 1.29 0.00 0.00 0.00 173.10 176.44 3hwx h ASP 442 N -1.34 -0.16 -0.92 1.64 2.03 -1.46 -0.59 116.42 115.62 3hwx h ASP 442 Ca -0.48 -0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 55.77 3hwx h ASP 442 Cb 1.27 0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.77 3hwx h ASP 442 CO 0.56 -0.06 0.52 -0.07 -1.03 0.00 0.00 179.24 179.15 3hwx h LEU 443 N -0.24 1.13 -0.87 0.15 3.38 -1.88 0.14 115.31 117.13 3hwx h LEU 443 Ca -0.02 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hwx h LEU 443 Cb 0.19 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3hwx h LEU 443 CO 0.03 0.89 0.56 0.28 0.09 0.00 0.00 178.44 180.30 3hwx h SER 444 N 1.28 0.95 0.15 -0.43 0.02 -1.77 0.11 113.55 113.86 3hwx h SER 444 Ca 0.33 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.11 3hwx h SER 444 Cb -0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3hwx h SER 444 CO -0.06 0.66 -0.57 0.00 -1.14 0.00 0.00 176.83 175.73 3hwx h ALA 445 N 1.35 0.76 -0.30 3.77 0.00 -0.33 -3.02 119.26 121.49 3hwx h ALA 445 Ca 0.34 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hwx h ALA 445 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hwx h ALA 445 CO -0.10 0.70 0.13 -0.07 0.00 0.00 0.00 179.25 179.90 3hwx h LEU 446 N 0.33 0.41 -1.24 0.00 3.38 -0.25 -1.65 115.31 116.30 3hwx h LEU 446 Ca 0.00 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3hwx h LEU 446 Cb 1.09 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 3hwx h LEU 446 CO 0.10 0.46 0.56 0.22 0.09 0.00 0.00 178.44 179.87 3hwx h TYR 447 N 0.34 0.91 -0.12 1.13 5.03 -0.70 -2.81 116.97 120.75 3hwx h TYR 447 Ca 0.10 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.44 3hwx h TYR 447 Cb 0.17 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.16 3hwx h TYR 447 CO -0.01 0.41 0.00 -3.47 -1.32 0.00 0.00 178.16 173.77 3hwx n ASP 448 N -4.53 2.89 -0.29 -2.11 -0.08 -1.15 -4.85 116.55 106.43 3hwx n ASP 448 Ca 0.15 -2.82 0.02 0.00 -1.51 0.00 0.00 54.79 50.62 3hwx n ASP 448 Cb 0.33 -0.40 0.06 0.00 2.34 0.00 0.00 41.12 43.46 3hwx n ASP 448 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3hwx n LEU 449 N -0.82 -0.40 0.10 -2.67 7.94 -0.62 0.13 117.00 120.66 3hwx n LEU 449 Ca 0.15 1.33 0.10 0.00 -1.11 0.00 0.00 56.01 56.49 3hwx n LEU 449 Cb 0.66 -0.35 0.44 0.00 0.53 0.00 0.00 43.42 44.70 3hwx n LEU 449 CO 0.06 -1.23 0.81 -0.46 -1.11 0.00 0.00 177.39 175.46 3hwx n ASN 450 N -5.18 0.49 0.00 1.96 0.23 -1.26 -0.44 115.26 111.05 3hwx n ASN 450 Ca 0.10 0.64 0.06 0.00 -0.53 0.00 0.00 54.58 54.85 3hwx n ASN 450 Cb 0.34 -0.74 0.35 0.00 -2.08 0.00 0.00 39.78 37.65 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 1.93 0.38 -2.53 0.00 0.35 -1.82 120.51 117.12 3hwx n ALA 451 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3hwx n ALA 451 Cb 0.17 -1.19 0.49 0.00 0.00 0.00 0.00 19.45 18.92 3hwx n ALA 451 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hwx n LEU 452 N -1.00 0.63 -0.05 0.00 4.77 0.42 -2.10 117.00 119.66 3hwx n LEU 452 Ca 0.09 0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 56.58 3hwx n LEU 452 Cb 0.04 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 3hwx n LEU 452 CO 0.07 -0.57 0.38 0.00 -1.33 0.00 0.00 177.39 175.93 3hwx h ALA 453 N 2.26 0.42 -0.46 -1.18 0.00 -1.61 -2.75 119.26 115.94 3hwx h ALA 453 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.38 3hwx h ALA 453 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hwx h ALA 453 CO 0.00 0.68 0.31 -0.07 0.00 0.00 0.00 179.25 180.17 3hwx h LEU 454 N 0.62 0.48 0.00 0.00 3.38 -1.63 -2.42 115.31 115.74 3hwx h LEU 454 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hwx h LEU 454 Cb 1.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hwx h LEU 454 CO 0.14 0.34 0.00 0.18 0.09 0.00 0.00 178.44 179.19 3hwx n LEU 455 N -4.47 0.00 0.01 1.67 4.77 -1.04 -2.30 117.00 115.64 3hwx n LEU 455 Ca 0.04 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.50 3hwx n LEU 455 Cb 0.10 -0.41 0.31 0.00 -2.33 0.00 0.00 43.42 41.09 3hwx n LEU 455 CO 0.35 -0.15 0.73 0.54 -1.33 0.00 0.00 177.39 177.53 3hwx n ARG 456 N -1.41 0.01 -3.61 3.23 1.74 -0.91 -4.27 116.66 111.44 3hwx n ARG 456 Ca 0.06 0.27 -0.29 0.00 -0.77 0.00 0.00 57.85 57.12 3hwx n ARG 456 Cb 0.19 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 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 -3.02 0.69 0.05 5.56 -0.21 -0.97 -4.99 119.66 116.76 3hwx s GLN 457 Ca 0.06 -1.25 0.06 0.00 0.02 0.00 0.00 55.36 54.26 3hwx s GLN 457 Cb 0.09 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.38 3hwx s GLN 457 CO 0.26 -1.10 -0.18 0.14 -2.12 0.00 0.00 175.29 172.30 3hwx s VAL 458 N 1.27 1.41 -2.23 1.09 -7.23 -1.26 -4.96 120.40 108.49 3hwx s VAL 458 Ca 0.14 -1.17 0.27 0.00 -1.81 0.00 0.00 61.98 59.40 3hwx s VAL 458 Cb -0.20 -1.26 0.65 0.00 0.56 0.00 0.00 36.38 36.13 3hwx s VAL 458 CO -0.14 0.06 1.87 -1.54 -0.31 0.00 0.00 175.10 175.03 3hwx n SER 459 N 1.72 0.83 -3.57 4.85 3.41 -1.26 -4.44 113.62 115.15 3hwx n SER 459 Ca -0.18 -1.36 -0.13 0.00 -0.26 0.00 0.00 58.87 56.95 3hwx n SER 459 Cb 0.54 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3hwx n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx s ALA 460 N -1.97 -1.89 0.23 7.33 0.00 -1.26 -4.88 121.76 119.33 3hwx s ALA 460 Ca 0.39 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.64 3hwx s ALA 460 Cb 0.20 -0.62 -0.16 0.00 0.00 0.00 0.00 23.12 22.53 3hwx s ALA 460 CO 0.32 -0.32 0.62 -0.35 0.00 0.00 0.00 175.76 176.03 3hwx n PRO 461 N 1.02 0.32 -3.94 0.00 -0.04 -1.23 -3.96 135.00 127.17 3hwx n PRO 461 Ca -0.13 0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 3hwx n PRO 461 Cb 0.57 -1.20 -0.16 0.00 -0.04 0.00 0.00 33.50 32.67 3hwx n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hwx s LEU 462 N 2.43 1.16 -0.16 1.53 0.20 -0.64 -1.72 118.68 121.48 3hwx s LEU 462 Ca 0.63 -0.04 -0.04 0.00 0.69 0.00 0.00 54.13 55.37 3hwx s LEU 462 Cb -0.86 -0.24 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 3hwx s LEU 462 CO 0.57 -0.10 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.81 3hwx s VAL 463 N 1.04 3.95 -0.28 1.68 1.01 0.13 -1.08 120.40 126.84 3hwx s VAL 463 Ca -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3hwx s VAL 463 Cb -0.14 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.55 3hwx s VAL 463 CO -0.02 0.49 -0.02 -0.22 0.00 0.00 0.00 175.10 175.33 3hwx s LEU 464 N 0.38 3.69 -0.12 3.92 2.96 -1.00 0.00 118.68 128.52 3hwx s LEU 464 Ca -0.03 -1.18 -0.19 0.00 -0.22 0.00 0.00 54.13 52.51 3hwx s LEU 464 Cb -0.14 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3hwx s LEU 464 CO 0.03 -0.22 0.51 -0.63 -1.32 0.00 0.00 176.35 174.71 3hwx s ILE 465 N 1.26 5.16 -0.37 6.68 1.01 0.71 -1.75 121.20 133.92 3hwx s ILE 465 Ca -0.04 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.63 3hwx s ILE 465 Cb -0.19 -3.85 0.10 0.00 0.01 0.00 0.00 42.46 38.53 3hwx s ILE 465 CO -0.02 0.30 0.11 -0.69 0.00 0.00 0.00 174.94 174.65 3hwx s VAL 466 N 0.73 2.77 -0.18 2.92 1.01 -0.18 -0.43 120.40 127.05 3hwx s VAL 466 Ca 0.27 -2.14 -0.29 0.00 0.00 0.00 0.00 61.98 59.82 3hwx s VAL 466 Cb -0.15 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3hwx s VAL 466 CO 0.11 -0.60 1.47 -0.69 0.00 0.00 0.00 175.10 175.40 3hwx s VAL 467 N 1.03 3.91 -0.57 2.92 1.01 -0.35 -1.25 120.40 127.11 3hwx s VAL 467 Ca 0.08 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 3hwx s VAL 467 Cb -0.21 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.51 3hwx s VAL 467 CO -0.06 -0.22 0.35 0.21 0.00 0.00 0.00 175.10 175.38 3hwx s ASN 468 N 3.13 4.96 -0.02 3.32 3.84 0.39 -1.12 114.94 129.43 3hwx s ASN 468 Ca 0.64 -2.80 0.22 0.00 0.21 0.00 0.00 52.86 51.13 3hwx s ASN 468 Cb -0.25 -1.78 0.67 0.00 -0.55 0.00 0.00 41.25 39.34 3hwx s ASN 468 CO 0.24 -0.34 1.57 -0.46 -2.79 0.00 0.00 177.10 175.31 3hwx n ASN 469 N 3.50 4.16 -2.65 -4.21 0.23 -1.26 -1.57 115.26 113.47 3hwx n ASN 469 Ca 0.06 -2.10 -0.02 0.00 -0.53 0.00 0.00 54.58 51.99 3hwx n ASN 469 Cb 0.37 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 3hwx n ASN 469 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hwx n ASN 470 N 1.55 -6.54 0.00 0.53 5.15 -1.26 -3.86 115.26 110.84 3hwx n ASN 470 Ca 0.25 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 3hwx n ASN 470 Cb 0.69 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.57 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 -1.14 1.32 3.58 8.20 0.00 -1.26 -4.21 105.19 111.68 3hwx n GLY 471 Ca 0.03 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3hwx n GLY 471 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hwx s GLY 472 N 0.00 1.62 0.24 -0.02 0.00 0.16 -4.78 107.32 104.55 3hwx s GLY 472 Ca 0.00 -2.88 0.23 0.00 0.00 0.00 0.00 44.72 42.07 3hwx s GLY 472 CO 0.00 2.72 1.69 -1.06 0.00 0.00 0.00 173.10 176.45 3hwx n GLN 473 N 8.40 0.18 -0.11 2.90 1.13 -1.26 -0.91 117.38 127.71 3hwx n GLN 473 Ca 0.48 0.42 0.27 0.00 -1.94 0.00 0.00 57.00 56.23 3hwx n GLN 473 Cb 0.46 -1.85 0.71 0.00 0.11 0.00 0.00 30.24 29.67 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 0.40 -0.08 5.09 2.10 -1.96 0.27 117.51 123.34 3hwx h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hwx h ILE 474 Cb 0.34 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 3hwx h ILE 474 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3hwx n PHE 475 N -3.94 0.10 -0.07 2.19 3.72 -0.09 -2.60 117.46 116.77 3hwx n PHE 475 Ca 0.16 -0.05 -0.15 0.00 -0.05 0.00 0.00 57.45 57.36 3hwx n PHE 475 Cb 0.96 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.37 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 0.81 0.02 -0.22 4.37 0.02 -0.64 -3.37 113.55 114.54 3hwx h SER 476 Ca 0.00 -0.93 0.06 0.00 -0.84 0.00 0.00 61.79 60.08 3hwx h SER 476 Cb 0.18 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 3hwx h SER 476 CO 0.00 1.09 -0.21 0.25 -1.14 0.00 0.00 176.83 176.82 3hwx h LEU 477 N -0.97 -0.67-10.18 5.07 5.85 -1.54 -3.44 115.31 109.43 3hwx h LEU 477 Ca -0.06 0.12 -0.53 0.00 0.84 0.00 0.00 57.88 58.26 3hwx h LEU 477 Cb 1.07 0.32 0.20 0.00 0.37 0.00 0.00 40.66 42.62 3hwx h LEU 477 CO -0.02 -0.25 0.16 0.18 -0.34 0.00 0.00 178.44 178.17 3hwx n LEU 478 N -5.35 3.26 -0.88 2.25 4.77 -1.07 -4.74 117.00 115.23 3hwx n LEU 478 Ca -0.01 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3hwx n LEU 478 Cb 0.27 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3hwx n LEU 478 CO 0.17 -2.19 0.32 -0.81 -1.33 0.00 0.00 177.39 173.55 3hwx n PRO 479 N -3.61 0.72 -2.04 3.23 -0.04 -1.26 -4.93 135.00 127.07 3hwx n PRO 479 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 3hwx n PRO 479 Cb 0.52 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.02 3.13 -0.01 0.52 -4.23 -1.26 -4.91 115.64 108.85 3hwx s THR 480 Ca 0.00 0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 60.90 3hwx s THR 480 Cb 0.00 -3.45 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 3hwx s THR 480 CO 0.00 0.02 2.02 -0.81 -0.54 0.00 0.00 174.62 175.31 3hwx n PRO 481 N 4.83 2.69 -0.03 3.99 -0.04 -1.26 -4.90 135.00 140.28 3hwx n PRO 481 Ca 0.14 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 3hwx n PRO 481 Cb 0.41 -3.03 0.29 0.00 -0.04 0.00 0.00 33.50 31.13 3hwx n PRO 481 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3hwx h GLN 482 N 11.29 0.60 0.00 0.54 4.20 -2.01 -3.02 115.11 126.72 3hwx h GLN 482 Ca -0.48 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.12 3hwx h GLN 482 Cb 1.24 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3hwx h GLN 482 CO 0.94 0.56 0.00 1.03 -0.67 0.00 0.00 178.83 180.70 3hwx h SER 483 N 0.59 0.00 -0.00 1.46 0.87 -2.04 -2.99 113.55 111.43 3hwx h SER 483 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hwx h SER 483 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3hwx h SER 483 CO -0.00 0.00 -0.57 -0.62 -0.53 0.00 0.00 176.83 175.11 3hwx n GLU 484 N -2.55 1.81 0.16 2.24 4.71 -1.14 -4.77 120.64 121.09 3hwx n GLU 484 Ca 0.02 -0.34 0.02 0.00 -0.01 0.00 0.00 57.16 56.85 3hwx n GLU 484 Cb 0.31 -1.25 0.23 0.00 -1.01 0.00 0.00 31.44 29.72 3hwx n GLU 484 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3hwx h ARG 485 N 0.75 0.00 -0.82 3.49 0.11 -1.58 -2.07 114.38 114.25 3hwx h ARG 485 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3hwx h ARG 485 Cb 0.44 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 3hwx h ARG 485 CO 0.00 0.52 0.47 1.49 0.10 0.00 0.00 179.97 182.55 3hwx h GLU 486 N 0.00 1.14 0.09 0.08 4.81 -1.86 0.17 114.58 119.01 3hwx h GLU 486 Ca -0.01 -0.12 -0.35 0.00 -0.13 0.00 0.00 59.36 58.75 3hwx h GLU 486 Cb 1.03 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 3hwx h GLU 486 CO 0.07 0.83 -1.97 -2.13 -0.73 0.00 0.00 179.01 175.07 3hwx n ARG 487 N -4.41 0.72 -0.25 1.92 0.63 -1.01 -1.08 116.66 113.18 3hwx n ARG 487 Ca 0.08 0.29 0.10 0.00 -0.92 0.00 0.00 57.85 57.40 3hwx n ARG 487 Cb 0.08 -1.69 0.24 0.00 0.45 0.00 0.00 32.46 31.54 3hwx n ARG 487 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hwx n PHE 488 N -3.60 0.66 0.06 -0.14 3.72 -0.81 -4.37 117.46 112.99 3hwx n PHE 488 Ca -0.34 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 3hwx n PHE 488 Cb 0.99 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.29 -1.44 0.25 1.38 4.02 -1.14 -4.96 117.16 116.55 3hwx n TYR 489 Ca 0.19 0.27 -0.16 0.00 -0.01 0.00 0.00 57.90 58.19 3hwx n TYR 489 Cb 0.55 0.78 -0.08 0.00 -0.02 0.00 0.00 39.34 40.58 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hwx h LEU 490 N 0.00 -0.68 -3.14 7.72 3.38 -0.80 -3.41 115.31 118.38 3hwx h LEU 490 Ca 0.00 0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.74 3hwx h LEU 490 Cb 0.00 0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hwx h LEU 490 CO 0.00 -0.42 -0.81 0.23 0.09 0.00 0.00 178.44 177.53 3hwx n MET 491 N -5.40 -1.79 -2.41 1.13 2.81 -0.24 -0.66 117.12 110.56 3hwx n MET 491 Ca -0.11 1.37 -0.40 0.00 -1.81 0.00 0.00 57.70 56.76 3hwx n MET 491 Cb 0.30 -3.54 -0.04 0.00 -0.71 0.00 0.00 33.22 29.24 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 -3.36 4.48 0.00 0.03 0.04 -1.26 -4.30 135.00 130.64 3hwx s PRO 492 Ca 0.17 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.22 3hwx s PRO 492 Cb -0.03 -3.05 0.29 0.00 0.04 0.00 0.00 34.50 31.76 3hwx s PRO 492 CO 0.84 0.06 1.21 1.04 0.04 0.00 0.00 177.00 180.18 3hwx n GLN 493 N 0.88 2.04 -3.78 4.56 1.13 -1.26 -4.90 117.38 116.05 3hwx n GLN 493 Ca 0.00 -1.91 -0.33 0.00 -1.94 0.00 0.00 57.00 52.82 3hwx n GLN 493 Cb 0.45 -1.37 0.03 0.00 0.11 0.00 0.00 30.24 29.46 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 1.02 -4.46 -4.08 1.08 3.02 -1.26 -4.94 115.26 105.64 3hwx n ASN 494 Ca 0.14 -1.07 -0.08 0.00 -0.03 0.00 0.00 54.58 53.54 3hwx n ASN 494 Cb 0.47 -3.05 -0.10 0.00 -0.61 0.00 0.00 39.78 36.49 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 -3.54 0.29 0.43 2.41 0.11 -1.26 -5.17 120.40 113.67 3hwx s VAL 495 Ca 0.42 -1.59 0.04 0.00 -2.93 0.00 0.00 61.98 57.91 3hwx s VAL 495 Cb -0.17 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 3hwx s VAL 495 CO 0.88 -0.83 0.04 -1.00 -3.33 0.00 0.00 175.10 170.87 3hwx s HIS 496 N -3.19 2.02 -0.46 1.54 3.76 -1.26 -5.00 115.29 112.70 3hwx s HIS 496 Ca 0.02 -0.97 0.11 0.00 -0.15 0.00 0.00 55.06 54.07 3hwx s HIS 496 Cb 0.03 -1.48 0.30 0.00 1.11 0.00 0.00 32.58 32.53 3hwx s HIS 496 CO -0.07 0.11 1.23 1.19 -0.85 0.00 0.00 174.74 176.36 3hwx n PHE 497 N -1.00 0.43 -0.08 1.40 3.01 -1.26 -4.63 117.46 115.33 3hwx n PHE 497 Ca -0.09 -0.65 -0.11 0.00 1.01 0.00 0.00 57.45 57.61 3hwx n PHE 497 Cb 0.66 -0.12 -0.04 0.00 -0.01 0.00 0.00 39.48 39.98 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 1.32 0.41 -0.21 -1.08 4.81 -1.98 -1.37 114.58 116.47 3hwx h GLU 498 Ca 0.00 -0.10 -0.20 0.00 -0.13 0.00 0.00 59.36 58.94 3hwx h GLU 498 Cb 0.89 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.22 3hwx h GLU 498 CO 0.06 0.50 -0.63 0.45 -0.73 0.00 0.00 179.01 178.66 3hwx h HIS 499 N 0.25 1.04 -0.30 0.92 3.86 -1.99 -2.26 115.15 116.67 3hwx h HIS 499 Ca 0.08 -0.42 0.05 0.00 -1.16 0.00 0.00 60.37 58.93 3hwx h HIS 499 Cb 0.27 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.49 3hwx h HIS 499 CO 0.01 1.24 -0.49 0.00 0.86 0.00 0.00 177.93 179.55 3hwx h ALA 500 N 0.60 -0.67 -0.71 2.45 0.00 -1.83 0.10 119.26 119.21 3hwx h ALA 500 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3hwx h ALA 500 Cb 1.25 0.98 -0.09 0.00 0.00 0.00 0.00 17.79 19.92 3hwx h ALA 500 CO 0.13 -0.99 0.24 0.00 0.00 0.00 0.00 179.25 178.64 3hwx h ALA 501 N 0.07 0.96 -0.69 0.00 0.00 -1.28 -2.79 119.26 115.51 3hwx h ALA 501 Ca 0.08 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hwx h ALA 501 Cb 0.62 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hwx h ALA 501 CO -0.52 -0.24 0.14 0.00 0.00 0.00 0.00 179.25 178.62 3hwx h ALA 502 N 1.53 0.92 -0.57 0.00 0.00 -0.66 0.39 119.26 120.87 3hwx h ALA 502 Ca 0.39 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hwx h ALA 502 Cb 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3hwx h ALA 502 CO -0.41 0.67 0.36 1.98 0.00 0.00 0.00 179.25 181.85 3hwx h MET 503 N 1.06 0.70 -0.62 0.00 -1.53 -0.57 -1.04 114.93 112.92 3hwx h MET 503 Ca 0.21 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 3hwx h MET 503 Cb 0.41 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 3hwx h MET 503 CO 0.01 0.46 0.00 1.19 0.14 0.00 0.00 176.91 178.71 3hwx n PHE 504 N -4.73 0.86 -4.00 1.39 3.72 -1.16 -4.93 117.46 108.62 3hwx n PHE 504 Ca 0.04 -0.33 -0.27 0.00 -0.05 0.00 0.00 57.45 56.84 3hwx n PHE 504 Cb 0.06 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.46 -2.73 -4.00 -1.08 1.02 -0.40 -4.79 120.64 109.12 3hwx n GLU 505 Ca 0.14 0.35 -0.25 0.00 -0.02 0.00 0.00 57.16 57.38 3hwx n GLU 505 Cb 0.58 -4.30 -0.04 0.00 -0.02 0.00 0.00 31.44 27.65 3hwx n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hwx s LEU 506 N -7.01 4.14 0.29 -4.62 1.43 0.13 -5.01 118.68 108.02 3hwx s LEU 506 Ca 0.04 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 3hwx s LEU 506 Cb -0.02 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 3hwx s LEU 506 CO 0.91 0.03 1.05 -0.54 0.23 0.00 0.00 176.35 178.03 3hwx s LYS 507 N -3.38 4.63 0.01 1.70 1.02 -1.25 -4.28 119.74 118.20 3hwx s LYS 507 Ca 0.33 1.68 0.03 0.00 0.02 0.00 0.00 55.97 58.04 3hwx s LYS 507 Cb -0.10 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 3hwx s LYS 507 CO 0.27 0.24 -0.10 -0.47 -0.92 0.00 0.00 175.35 174.37 3hwx s TYR 508 N -1.24 0.90 0.02 3.18 5.04 -1.26 -0.40 117.35 123.59 3hwx s TYR 508 Ca 0.45 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 3hwx s TYR 508 Cb -0.29 -0.56 -0.02 0.00 0.35 0.00 0.00 41.96 41.44 3hwx s TYR 508 CO 0.37 -0.01 -0.05 -1.01 -1.34 0.00 0.00 175.55 173.51 3hwx s HIS 509 N -0.47 0.41 -0.59 4.97 3.76 -0.59 -4.98 115.29 117.81 3hwx s HIS 509 Ca 0.02 -0.43 0.05 0.00 -0.15 0.00 0.00 55.06 54.55 3hwx s HIS 509 Cb -0.05 -0.26 0.18 0.00 1.11 0.00 0.00 32.58 33.56 3hwx s HIS 509 CO 0.00 -0.12 0.48 -2.13 -0.85 0.00 0.00 174.74 172.12 3hwx n ARG 510 N 1.80 1.32 -2.12 1.40 0.63 -1.26 -1.31 116.66 117.11 3hwx n ARG 510 Ca -0.21 -4.01 -0.38 0.00 -0.92 0.00 0.00 57.85 52.33 3hwx n ARG 510 Cb 0.56 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.45 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 -1.08 3.72 0.00 -0.14 0.04 -1.24 -4.96 135.00 131.34 3hwx s PRO 511 Ca 0.30 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.34 3hwx s PRO 511 Cb 0.02 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 32.10 3hwx s PRO 511 CO -0.16 -0.63 0.66 1.04 0.04 0.00 0.00 177.00 177.95 3hwx n GLN 512 N -0.38 -0.21 -3.76 4.56 6.02 -1.26 -4.68 117.38 117.67 3hwx n GLN 512 Ca 0.07 -0.80 -0.08 0.00 -0.01 0.00 0.00 57.00 56.18 3hwx n GLN 512 Cb 0.46 -1.08 -0.02 0.00 1.02 0.00 0.00 30.24 30.63 3hwx n GLN 512 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx s ASN 513 N -0.37 -0.31 0.25 1.08 2.20 -1.26 -5.06 114.94 111.46 3hwx s ASN 513 Ca 0.05 -0.47 -0.03 0.00 -0.94 0.00 0.00 52.86 51.47 3hwx s ASN 513 Cb 0.03 0.68 0.47 0.00 -2.00 0.00 0.00 41.25 40.44 3hwx s ASN 513 CO 0.05 -1.23 1.75 -0.50 -2.94 0.00 0.00 177.10 174.23 3hwx h TRP 514 N 2.00 0.64 -0.37 1.54 4.06 -1.95 -1.76 115.95 120.10 3hwx h TRP 514 Ca -0.22 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 3hwx h TRP 514 Cb 1.26 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 3hwx h TRP 514 CO 0.39 0.14 0.18 -0.56 -3.56 0.00 0.00 178.44 175.02 3hwx h GLN 515 N 0.54 0.54 -0.86 0.49 3.07 -1.99 0.18 115.11 117.09 3hwx h GLN 515 Ca 0.43 -0.08 0.09 0.00 0.09 0.00 0.00 58.65 59.17 3hwx h GLN 515 Cb 0.60 -0.10 -0.06 0.00 0.08 0.00 0.00 27.48 28.01 3hwx h GLN 515 CO -0.37 0.49 0.56 0.93 0.09 0.00 0.00 178.83 180.53 3hwx h GLU 516 N 0.46 0.86 0.81 0.06 5.08 -1.91 -0.81 114.58 119.12 3hwx h GLU 516 Ca 0.13 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3hwx h GLU 516 Cb 0.13 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hwx h GLU 516 CO -0.02 0.57 -0.39 1.25 -1.00 0.00 0.00 179.01 179.42 3hwx h LEU 517 N 0.88 -0.92 -1.29 1.33 5.85 -0.55 -2.27 115.31 118.35 3hwx h LEU 517 Ca 0.39 0.03 0.39 0.00 0.84 0.00 0.00 57.88 59.53 3hwx h LEU 517 Cb 0.35 0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.48 3hwx h LEU 517 CO -0.16 -0.60 0.74 -0.33 -0.34 0.00 0.00 178.44 177.75 3hwx h GLU 518 N -1.20 0.16 -0.10 1.25 5.08 -0.19 0.15 114.58 119.74 3hwx h GLU 518 Ca -0.11 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3hwx h GLU 518 Cb 0.83 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3hwx h GLU 518 CO 0.18 0.11 -0.27 1.15 -1.00 0.00 0.00 179.01 179.19 3hwx h THR 519 N 0.17 1.40 0.33 1.13 2.02 -1.19 -1.45 112.91 115.32 3hwx h THR 519 Ca 0.77 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3hwx h THR 519 Cb 2.21 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 70.77 3hwx h THR 519 CO -0.47 0.46 -0.40 0.00 0.37 0.00 0.00 175.52 175.49 3hwx h ALA 520 N 0.49 -0.83 -0.01 6.16 0.00 -0.16 -0.42 119.26 124.49 3hwx h ALA 520 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hwx h ALA 520 Cb 0.88 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3hwx h ALA 520 CO 0.06 -1.01 -0.36 0.74 0.00 0.00 0.00 179.25 178.68 3hwx h PHE 521 N -0.77 -1.07 -0.55 0.00 0.04 -1.19 0.28 116.94 113.67 3hwx h PHE 521 Ca -0.02 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.87 3hwx h PHE 521 Cb 0.71 0.47 -0.10 0.00 2.20 0.00 0.00 35.95 39.22 3hwx h PHE 521 CO -0.25 -0.38 -0.44 0.00 -0.60 0.00 0.00 178.31 176.64 3hwx h ALA 522 N -0.76 -0.36 -0.64 2.45 0.00 -1.05 0.11 119.26 119.00 3hwx h ALA 522 Ca 0.01 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hwx h ALA 522 Cb 0.48 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3hwx h ALA 522 CO -0.25 -0.84 0.14 0.22 0.00 0.00 0.00 179.25 178.52 3hwx h ASP 523 N -0.24 0.99 -0.96 0.00 3.58 -1.08 -3.18 116.42 115.53 3hwx h ASP 523 Ca 0.17 -0.24 0.05 0.00 0.42 0.00 0.00 57.03 57.43 3hwx h ASP 523 Cb 0.57 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.29 3hwx h ASP 523 CO -0.67 0.98 0.62 0.00 -2.88 0.00 0.00 179.24 177.29 3hwx h ALA 524 N 1.05 1.31 0.00 -0.78 0.00 0.19 -2.49 119.26 118.54 3hwx h ALA 524 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hwx h ALA 524 Cb 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hwx h ALA 524 CO 0.01 0.45 0.00 0.91 0.00 0.00 0.00 179.25 180.61 3hwx n TRP 525 N -4.51 0.00 0.35 0.00 7.02 -0.04 -3.70 117.44 116.56 3hwx n TRP 525 Ca 0.14 -0.04 0.04 0.00 -1.02 0.00 0.00 57.50 56.62 3hwx n TRP 525 Cb 0.14 -0.08 -0.06 0.00 -2.42 0.00 0.00 31.31 28.90 3hwx n TRP 525 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 3hwx n ARG 526 N 0.27 3.36 -4.29 -0.99 1.85 -0.94 -4.90 116.66 111.02 3hwx n ARG 526 Ca 0.00 -0.01 -0.20 0.00 -1.00 0.00 0.00 57.85 56.63 3hwx n ARG 526 Cb 0.17 -0.98 -0.13 0.00 -1.05 0.00 0.00 32.46 30.47 3hwx n ARG 526 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3hwx s THR 527 N -1.99 1.21 -0.97 8.89 -4.23 -1.24 -5.07 115.64 112.22 3hwx s THR 527 Ca 0.02 -1.18 -0.20 0.00 -1.18 0.00 0.00 61.69 59.15 3hwx s THR 527 Cb 0.07 -1.11 -0.10 0.00 1.34 0.00 0.00 72.50 72.69 3hwx s THR 527 CO 0.38 -0.08 2.00 -0.81 -0.54 0.00 0.00 174.62 175.57 3hwx n PRO 528 N 1.58 1.89 -3.65 3.99 -0.04 -1.26 -3.50 135.00 134.00 3hwx n PRO 528 Ca -0.19 -2.09 -0.09 0.00 -0.04 0.00 0.00 63.50 61.09 3hwx n PRO 528 Cb 0.54 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 30.93 3hwx n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hwx s THR 529 N 4.73 0.00 -0.07 0.52 -4.23 -1.25 -4.23 115.64 111.10 3hwx s THR 529 Ca 0.55 -0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 60.36 3hwx s THR 529 Cb 0.14 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 3hwx s THR 529 CO 0.06 0.00 0.51 -0.89 -0.54 0.00 0.00 174.62 173.76 3hwx s THR 530 N -3.75 5.10 -0.17 3.99 2.01 -1.26 -1.62 115.64 119.93 3hwx s THR 530 Ca 0.07 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.11 3hwx s THR 530 Cb -0.03 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3hwx s THR 530 CO -0.02 0.37 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.21 3hwx s THR 531 N 0.24 1.91 -0.29 -0.82 2.01 -0.24 -3.81 115.64 114.64 3hwx s THR 531 Ca 0.27 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 3hwx s THR 531 Cb -0.16 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 3hwx s THR 531 CO 0.13 0.51 0.66 -0.69 -0.69 0.00 0.00 174.62 174.53 3hwx s VAL 532 N 1.35 4.92 -0.32 3.82 1.01 0.47 -2.38 120.40 129.27 3hwx s VAL 532 Ca 0.05 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 3hwx s VAL 532 Cb -0.13 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.26 3hwx s VAL 532 CO -0.12 -0.12 0.11 -0.63 0.00 0.00 0.00 175.10 174.34 3hwx s ILE 533 N 2.64 3.99 -0.32 2.22 1.01 -0.71 -1.54 121.20 128.49 3hwx s ILE 533 Ca 0.27 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 3hwx s ILE 533 Cb -0.15 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 3hwx s ILE 533 CO 0.11 -0.07 0.71 -0.70 0.00 0.00 0.00 174.94 174.99 3hwx s GLU 534 N 1.47 3.86 -0.42 2.79 2.12 -0.43 -1.01 118.70 127.09 3hwx s GLU 534 Ca 0.01 0.36 -0.15 0.00 0.36 0.00 0.00 54.97 55.55 3hwx s GLU 534 Cb -0.18 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.48 3hwx s GLU 534 CO 0.03 -0.68 0.33 -1.64 -0.54 0.00 0.00 175.26 172.76 3hwx s MET 535 N 2.83 2.98 -0.17 4.30 -1.94 -0.38 -3.72 119.30 123.20 3hwx s MET 535 Ca 0.29 -1.07 -0.20 0.00 -1.71 0.00 0.00 55.69 53.00 3hwx s MET 535 Cb -0.14 -4.01 -0.03 0.00 2.01 0.00 0.00 34.83 32.66 3hwx s MET 535 CO 0.13 -0.81 0.57 0.08 -0.01 0.00 0.00 175.02 174.98 3hwx s VAL 536 N 1.70 5.08 0.04 -6.03 1.01 -1.26 0.15 120.40 121.09 3hwx s VAL 536 Ca 0.05 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.14 3hwx s VAL 536 Cb -0.20 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3hwx s VAL 536 CO 0.10 0.18 -0.07 0.68 0.00 0.00 0.00 175.10 175.99 3hwx s VAL 537 N 1.49 0.52 0.19 2.92 -7.23 -0.61 -4.93 120.40 112.74 3hwx s VAL 537 Ca 0.27 -1.02 -0.33 0.00 -1.81 0.00 0.00 61.98 59.10 3hwx s VAL 537 Cb -0.16 -0.58 -0.14 0.00 0.56 0.00 0.00 36.38 36.06 3hwx s VAL 537 CO 0.11 -0.35 1.47 0.59 -0.31 0.00 0.00 175.10 176.61 3hwx n ASN 538 N 1.57 2.76 0.00 4.85 3.02 -1.26 -4.08 115.26 122.12 3hwx n ASN 538 Ca -0.22 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 3hwx n ASN 538 Cb 0.55 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3hwx n ASN 538 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hwx n ASP 539 N 2.78 0.00 -0.55 6.41 5.75 -1.25 -2.80 116.55 126.89 3hwx n ASP 539 Ca 0.15 0.21 0.12 0.00 -0.01 0.00 0.00 54.79 55.26 3hwx n ASP 539 Cb 0.29 -0.10 0.17 0.00 -1.03 0.00 0.00 41.12 40.45 3hwx n ASP 539 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3hwx n THR 540 N -2.01 0.00 -0.22 2.12 -2.24 -1.26 -4.62 114.28 106.04 3hwx n THR 540 Ca 0.00 -0.29 0.16 0.00 -2.27 0.00 0.00 64.05 61.65 3hwx n THR 540 Cb 0.00 1.04 0.47 0.00 -2.10 0.00 0.00 70.33 69.73 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 2.70 0.48 0.26 3.42 3.32 -1.91 -0.53 116.42 124.15 3hwx h ASP 541 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3hwx h ASP 541 Cb 0.73 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3hwx h ASP 541 CO 0.00 0.23 -0.15 1.23 -1.72 0.00 0.00 179.24 178.83 3hwx h GLY 542 N 0.50 -0.57 0.84 2.75 0.00 -1.82 -1.85 103.07 102.92 3hwx h GLY 542 Ca 0.43 0.23 0.03 0.00 0.00 0.00 0.00 47.33 48.03 3hwx h GLY 542 CO -0.17 -0.20 0.43 0.00 0.00 0.00 0.00 176.54 176.60 3hwx h ALA 543 N -1.71 0.91 -0.35 3.60 0.00 -1.82 -1.75 119.26 118.15 3hwx h ALA 543 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hwx h ALA 543 Cb 0.30 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hwx h ALA 543 CO 0.04 0.19 0.10 0.37 0.00 0.00 0.00 179.25 179.95 3hwx h GLN 544 N 0.83 0.22 -0.64 0.00 4.15 -1.19 -1.04 115.11 117.44 3hwx h GLN 544 Ca 0.28 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.62 3hwx h GLN 544 Cb 0.04 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3hwx h GLN 544 CO -0.12 0.15 0.12 1.15 -1.93 0.00 0.00 178.83 178.20 3hwx h THR 545 N 0.23 1.26 -0.16 2.39 2.02 -0.49 0.56 112.91 118.71 3hwx h THR 545 Ca 0.16 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 3hwx h THR 545 Cb 0.16 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3hwx h THR 545 CO -0.19 0.37 0.09 0.25 0.37 0.00 0.00 175.52 176.41 3hwx h LEU 546 N 0.96 0.20 -1.36 2.58 5.85 -1.11 -1.87 115.31 120.57 3hwx h LEU 546 Ca 0.20 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3hwx h LEU 546 Cb 0.41 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3hwx h LEU 546 CO 0.01 0.23 0.48 1.56 -0.34 0.00 0.00 178.44 180.38 3hwx h GLN 547 N 0.16 0.76 -0.40 1.25 4.20 0.16 -1.11 115.11 120.14 3hwx h GLN 547 Ca 0.06 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hwx h GLN 547 Cb 0.07 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3hwx h GLN 547 CO -0.01 0.50 0.11 1.96 -0.67 0.00 0.00 178.83 180.73 3hwx h GLN 548 N 0.79 0.62 0.00 1.46 4.20 -0.61 -2.81 115.11 118.76 3hwx h GLN 548 Ca 0.31 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 3hwx h GLN 548 Cb 0.21 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hwx h GLN 548 CO -0.10 0.63 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.22 3hwx h LEU 549 N 0.50 0.00 0.28 1.46 3.38 -0.62 -2.79 115.31 117.51 3hwx h LEU 549 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hwx h LEU 549 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3hwx h LEU 549 CO -0.00 0.41 -0.48 -0.07 0.09 0.00 0.00 178.44 178.39 3hwx h LEU 550 N 0.00 -1.38 -0.45 1.67 3.38 -1.05 -2.33 115.31 115.16 3hwx h LEU 550 Ca -0.00 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hwx h LEU 550 Cb 0.93 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 3hwx h LEU 550 CO 0.05 -0.58 -0.56 0.00 0.09 0.00 0.00 178.44 177.44 3hwx h ALA 551 N -0.54 -0.77 -0.39 1.53 0.00 -1.40 -1.36 119.26 116.32 3hwx h ALA 551 Ca -0.02 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3hwx h ALA 551 Cb 0.78 1.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.63 3hwx h ALA 551 CO -0.18 -1.05 -0.14 0.37 0.00 0.00 0.00 179.25 178.25 3hwx h GLN 552 N -0.37 -0.05 -0.09 0.00 4.15 -1.44 -1.68 115.11 115.63 3hwx h GLN 552 Ca 0.08 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.37 3hwx h GLN 552 Cb 0.58 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 3hwx h GLN 552 CO -0.62 -0.04 -0.55 0.28 -1.93 0.00 0.00 178.83 175.98 3hwx h VAL 553 N -0.06 1.36 0.00 2.39 2.07 -1.30 -2.93 116.25 117.78 3hwx h VAL 553 Ca 0.19 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 3hwx h VAL 553 Cb 0.35 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3hwx h VAL 553 CO -0.44 0.55 -0.01 0.77 0.02 0.00 0.00 177.57 178.46 3hwx h SER 554 N 0.20 0.00 0.21 0.57 4.64 -0.28 -3.30 113.55 115.59 3hwx h SER 554 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3hwx h SER 554 Cb 1.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 3hwx h SER 554 CO 0.09 0.01 -2.05 1.41 -0.87 0.00 0.00 176.83 175.42 3hwx n HIS 555 N -3.14 0.74 1.30 4.77 8.25 -1.10 -4.48 115.22 121.55 3hwx n HIS 555 Ca -0.02 0.21 0.10 0.00 -0.26 0.00 0.00 57.72 57.75 3hwx n HIS 555 Cb 0.15 -1.12 0.62 0.00 1.12 0.00 0.00 29.99 30.76 3hwx n HIS 555 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45