#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 6.39 0.05 7.83 0.15 -1.26 -4.86 113.70 121.99 3hwx s SER 2 Ca 0.00 2.59 -0.14 0.00 0.70 0.00 0.00 55.95 59.09 3hwx s SER 2 Cb 0.00 -2.53 -0.31 0.00 -1.71 0.00 0.00 66.02 61.47 3hwx s SER 2 CO 0.00 -1.11 1.07 0.58 1.20 0.00 0.00 173.24 174.98 3hwx h VAL 3 N 5.75 1.29 0.11 4.45 2.07 -1.97 -2.27 116.25 125.68 3hwx h VAL 3 Ca -0.48 -2.57 0.02 0.00 0.82 0.00 0.00 66.70 64.48 3hwx h VAL 3 Cb 1.23 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 33.79 3hwx h VAL 3 CO 0.94 0.78 -0.27 -1.28 0.02 0.00 0.00 177.57 177.77 3hwx h SER 4 N 0.22 -0.76 -0.61 0.57 0.87 -1.80 -0.30 113.55 111.75 3hwx h SER 4 Ca -0.21 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3hwx h SER 4 Cb 2.01 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 64.20 3hwx h SER 4 CO 0.25 -0.35 0.33 0.00 -0.53 0.00 0.00 176.83 176.53 3hwx h ALA 5 N 0.27 0.81 -0.01 6.23 0.00 -1.81 -1.09 119.26 123.66 3hwx h ALA 5 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hwx h ALA 5 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hwx h ALA 5 CO -0.16 0.00 -0.02 0.35 0.00 0.00 0.00 179.25 179.42 3hwx h PHE 6 N 0.62 0.03 -0.99 0.00 3.57 -1.10 -2.59 116.94 116.49 3hwx h PHE 6 Ca 0.27 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.97 3hwx h PHE 6 Cb 0.16 -0.01 -0.19 0.00 2.79 0.00 0.00 35.95 38.71 3hwx h PHE 6 CO -0.09 0.64 -0.20 -0.91 -2.23 0.00 0.00 178.31 175.52 3hwx h ASN 7 N -0.58 -0.84 -0.37 0.41 4.21 -0.96 0.18 115.58 117.62 3hwx h ASN 7 Ca -0.00 0.29 0.06 0.00 1.21 0.00 0.00 56.30 57.86 3hwx h ASN 7 Cb 0.64 0.59 -0.08 0.00 -1.12 0.00 0.00 38.32 38.34 3hwx h ASN 7 CO 0.00 -0.33 -0.49 -0.09 -1.29 0.00 0.00 177.43 175.23 3hwx h ARG 8 N 0.00 -0.37 -0.67 0.81 2.43 -1.11 -1.32 114.38 114.15 3hwx h ARG 8 Ca 0.50 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.70 3hwx h ARG 8 Cb 0.82 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 3hwx h ARG 8 CO -1.00 -0.25 0.44 0.00 -1.51 0.00 0.00 179.97 177.65 3hwx h ARG 9 N -0.39 0.89 -0.53 0.20 2.47 -0.64 0.14 114.38 116.52 3hwx h ARG 9 Ca 0.10 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3hwx h ARG 9 Cb 0.60 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 3hwx h ARG 9 CO -0.57 0.59 0.35 2.35 0.56 0.00 0.00 179.97 183.26 3hwx h TRP 10 N 0.91 0.67 0.78 3.04 2.91 -0.50 -1.75 115.95 122.01 3hwx h TRP 10 Ca 0.25 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.24 3hwx h TRP 10 Cb -0.10 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.33 3hwx h TRP 10 CO -0.03 0.43 -0.43 0.00 -1.03 0.00 0.00 178.44 177.38 3hwx h ALA 11 N 1.19 -1.27 -1.56 2.65 0.00 -0.64 -2.96 119.26 116.68 3hwx h ALA 11 Ca 0.19 -0.24 0.48 0.00 0.00 0.00 0.00 54.91 55.35 3hwx h ALA 11 Cb -0.08 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3hwx h ALA 11 CO -0.04 -1.21 1.08 0.00 0.00 0.00 0.00 179.25 179.08 3hwx n ALA 12 N -2.63 1.52 -0.04 0.00 0.00 -0.02 -0.63 120.51 118.71 3hwx n ALA 12 Ca -0.14 0.68 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 3hwx n ALA 12 Cb 0.46 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 1.42 -0.06 0.00 2.07 -1.15 -2.39 116.25 116.13 3hwx h VAL 13 Ca 0.83 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3hwx h VAL 13 Cb 3.07 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 35.07 3hwx h VAL 13 CO -0.19 0.46 -0.05 0.40 0.02 0.00 0.00 177.57 178.22 3hwx h ILE 14 N -0.17 0.86 -0.53 4.57 2.04 -0.86 -0.27 117.51 123.15 3hwx h ILE 14 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 3hwx h ILE 14 Cb 0.88 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3hwx h ILE 14 CO 0.05 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 178.00 3hwx h LEU 15 N -0.05 1.02 -1.59 1.44 3.38 -1.43 -2.37 115.31 115.71 3hwx h LEU 15 Ca 0.04 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3hwx h LEU 15 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hwx h LEU 15 CO -0.10 1.15 0.06 -0.08 0.09 0.00 0.00 178.44 179.56 3hwx h GLU 16 N 0.89 0.32 -0.80 1.13 4.57 -1.08 -2.53 114.58 117.08 3hwx h GLU 16 Ca 0.13 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3hwx h GLU 16 Cb 0.71 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 3hwx h GLU 16 CO 0.05 0.30 0.46 0.00 -1.18 0.00 0.00 179.01 178.64 3hwx h ALA 17 N 1.75 1.02 -0.31 2.92 0.00 -0.51 -2.56 119.26 121.57 3hwx h ALA 17 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 17 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hwx h ALA 17 CO -0.00 0.52 -0.02 -0.07 0.00 0.00 0.00 179.25 179.68 3hwx h LEU 18 N 1.11 0.45 -1.57 0.00 3.38 -1.31 -2.23 115.31 115.14 3hwx h LEU 18 Ca 0.28 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.38 3hwx h LEU 18 Cb 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3hwx h LEU 18 CO -0.05 0.53 0.60 0.74 0.09 0.00 0.00 178.44 180.35 3hwx h THR 19 N 0.46 0.66 -0.04 0.22 2.02 -1.37 -1.80 112.91 113.05 3hwx h THR 19 Ca 0.10 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3hwx h THR 19 Cb 0.33 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3hwx h THR 19 CO 0.01 0.06 0.00 0.54 0.37 0.00 0.00 175.52 176.51 3hwx n ARG 20 N -4.49 1.47 -1.83 6.66 3.00 -0.84 -3.46 116.66 117.17 3hwx n ARG 20 Ca 0.19 -0.69 -0.24 0.00 -0.01 0.00 0.00 57.85 57.11 3hwx n ARG 20 Cb 0.74 -1.45 0.04 0.00 0.00 0.00 0.00 32.46 31.78 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hwx n HIS 21 N -0.15 2.66 -1.86 -1.55 8.25 -0.68 -4.30 115.22 117.58 3hwx n HIS 21 Ca 0.19 -2.29 -0.11 0.00 -0.26 0.00 0.00 57.72 55.26 3hwx n HIS 21 Cb 0.27 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 3hwx n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwx n GLY 22 N -0.77 0.41 3.55 -1.41 0.00 -1.22 -4.64 105.19 101.11 3hwx n GLY 22 Ca 0.45 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.48 5.09 -0.06 1.61 1.01 -1.22 -4.02 120.40 120.33 3hwx s VAL 23 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3hwx s VAL 23 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3hwx s VAL 23 CO 0.00 -0.14 -0.03 0.54 0.00 0.00 0.00 175.10 175.47 3hwx n ARG 24 N 5.57 1.35 -3.33 2.72 5.12 -1.26 -4.42 116.66 122.40 3hwx n ARG 24 Ca -0.07 0.02 -0.38 0.00 -1.93 0.00 0.00 57.85 55.50 3hwx n ARG 24 Cb 0.49 -1.14 -0.06 0.00 -1.16 0.00 0.00 32.46 30.59 3hwx n ARG 24 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3hwx s HIS 25 N -2.14 3.54 -0.07 -1.55 3.76 -1.26 0.11 115.29 117.69 3hwx s HIS 25 Ca -0.07 0.91 0.01 0.00 -0.15 0.00 0.00 55.06 55.76 3hwx s HIS 25 Cb 0.02 -2.52 0.02 0.00 1.11 0.00 0.00 32.58 31.21 3hwx s HIS 25 CO 0.18 0.23 -0.06 -1.50 -0.85 0.00 0.00 174.74 172.74 3hwx s ILE 26 N 0.41 0.76 -0.25 0.60 2.07 -0.33 -1.70 121.20 122.76 3hwx s ILE 26 Ca 0.26 -0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 59.19 3hwx s ILE 26 Cb -0.15 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 3hwx s ILE 26 CO 0.11 0.29 0.13 0.00 -1.91 0.00 0.00 174.94 173.56 3hwx s ILE 28 N 1.46 2.23 0.02 0.00 1.01 0.24 -1.58 121.20 124.60 3hwx s ILE 28 Ca 0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3hwx s ILE 28 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3hwx s ILE 28 CO 0.07 0.53 0.12 0.00 0.00 0.00 0.00 174.94 175.66 3hwx s ALA 29 N 1.17 3.72 0.56 9.38 0.00 -0.93 -2.87 121.76 132.78 3hwx s ALA 29 Ca 0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 3hwx s ALA 29 Cb -0.14 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 3hwx s ALA 29 CO -0.09 0.74 1.02 -1.25 0.00 0.00 0.00 175.76 176.18 3hwx s PRO 30 N -2.03 3.64 0.00 0.00 0.04 -1.26 -4.63 135.00 130.76 3hwx s PRO 30 Ca 0.27 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3hwx s PRO 30 Cb -0.12 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3hwx s PRO 30 CO 0.19 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3hwx n GLY 31 N -1.39 -1.57 0.67 0.56 0.00 -1.26 -4.67 105.19 97.54 3hwx n GLY 31 Ca 0.07 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 1.03 0.82 0.28 1.61 2.88 -1.26 -4.38 113.62 114.60 3hwx n SER 32 Ca 0.00 0.14 0.12 0.00 -1.33 0.00 0.00 58.87 57.80 3hwx n SER 32 Cb 0.00 -0.33 0.79 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.38 0.00 -0.01 -1.46 9.65 -1.98 -2.56 114.38 117.64 3hwx h ARG 33 Ca -0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3hwx h ARG 33 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3hwx h ARG 33 CO -0.15 0.01 0.00 -1.13 2.80 0.00 0.00 179.97 181.50 3hwx n SER 34 N -4.13 0.18 -0.10 -3.80 3.41 -1.26 -4.48 113.62 103.44 3hwx n SER 34 Ca -0.03 -1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 3hwx n SER 34 Cb 0.09 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.27 1.11 -0.54 6.66 2.02 -1.66 -1.54 112.91 119.23 3hwx h THR 35 Ca 0.00 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 67.03 3hwx h THR 35 Cb 0.06 0.69 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 3hwx h THR 35 CO 0.00 0.11 -0.16 -0.07 0.37 0.00 0.00 175.52 175.77 3hwx h LEU 36 N 0.42 -0.58 -0.81 2.58 4.07 -1.85 0.72 115.31 119.86 3hwx h LEU 36 Ca 0.12 0.17 -0.08 0.00 0.08 0.00 0.00 57.88 58.17 3hwx h LEU 36 Cb 0.01 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 3hwx h LEU 36 CO -0.02 -0.20 0.04 -0.07 -1.08 0.00 0.00 178.44 177.11 3hwx h LEU 37 N -0.03 0.90 -0.23 1.67 3.38 -1.79 -1.11 115.31 118.10 3hwx h LEU 37 Ca 0.26 -0.22 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 3hwx h LEU 37 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hwx h LEU 37 CO -0.57 0.94 -0.82 0.74 0.09 0.00 0.00 178.44 178.81 3hwx h THR 38 N 0.88 1.33 0.95 0.22 2.02 0.16 -1.43 112.91 117.04 3hwx h THR 38 Ca 0.17 -2.15 -0.05 0.00 0.77 0.00 0.00 66.41 65.16 3hwx h THR 38 Cb 0.45 2.15 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3hwx h THR 38 CO 0.02 0.66 -0.49 -0.07 0.37 0.00 0.00 175.52 176.01 3hwx h LEU 39 N 0.38 -1.18 -0.98 2.58 3.38 0.70 0.19 115.31 120.38 3hwx h LEU 39 Ca -0.06 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3hwx h LEU 39 Cb 1.44 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 42.35 3hwx h LEU 39 CO 0.15 -0.80 -0.42 0.00 0.09 0.00 0.00 178.44 177.46 3hwx h ALA 40 N -1.32 0.03 -0.42 1.53 0.00 -1.26 0.58 119.26 118.41 3hwx h ALA 40 Ca -0.13 0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3hwx h ALA 40 Cb 1.02 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3hwx h ALA 40 CO 0.19 -0.69 -0.22 0.00 0.00 0.00 0.00 179.25 178.54 3hwx h ALA 41 N 1.21 0.82 -0.09 0.00 0.00 -1.13 -2.32 119.26 117.75 3hwx h ALA 41 Ca 0.31 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3hwx h ALA 41 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hwx h ALA 41 CO -0.97 0.65 -0.49 0.00 0.00 0.00 0.00 179.25 178.44 3hwx h ALA 42 N 1.01 1.01 0.00 0.00 0.00 0.30 -3.15 119.26 118.42 3hwx h ALA 42 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hwx h ALA 42 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hwx h ALA 42 CO 0.06 0.65 -0.08 0.39 0.00 0.00 0.00 179.25 180.27 3hwx n GLU 43 N -3.96 0.08 -3.61 0.00 1.02 0.20 -4.79 120.64 109.57 3hwx n GLU 43 Ca -0.02 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.79 3hwx n GLU 43 Cb 0.53 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.26 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 -3.44 5.78 0.00 1.62 3.84 -0.90 -5.00 114.94 116.83 3hwx s ASN 44 Ca 0.12 -0.38 0.27 0.00 0.21 0.00 0.00 52.86 53.09 3hwx s ASN 44 Cb 0.17 -2.06 0.95 0.00 -0.55 0.00 0.00 41.25 39.76 3hwx s ASN 44 CO 0.57 -0.18 1.69 -1.54 -2.79 0.00 0.00 177.10 174.86 3hwx n SER 45 N 5.04 1.42 0.00 -4.21 3.41 -1.26 -3.55 113.62 114.46 3hwx n SER 45 Ca -0.14 -1.37 0.06 0.00 -0.26 0.00 0.00 58.87 57.17 3hwx n SER 45 Cb 0.50 0.03 0.27 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.01 1.60 -2.69 7.33 0.00 -1.26 -4.82 120.51 120.67 3hwx n ALA 46 Ca 0.17 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.29 3hwx n ALA 46 Cb 0.36 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.90 2.94 -0.21 0.00 0.08 -1.23 -4.69 117.98 111.97 3hwx s PHE 47 Ca 0.07 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 3hwx s PHE 47 Cb 0.08 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 3hwx s PHE 47 CO 0.21 0.51 0.11 0.42 -0.10 0.00 0.00 175.22 176.37 3hwx s ILE 48 N -1.62 5.09 -0.00 0.64 1.01 0.30 -4.99 121.20 121.62 3hwx s ILE 48 Ca 0.28 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 3hwx s ILE 48 Cb -0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3hwx s ILE 48 CO 0.19 0.42 0.27 -1.00 0.00 0.00 0.00 174.94 174.82 3hwx s HIS 49 N 0.63 3.59 0.07 3.97 3.76 -1.26 -1.19 115.29 124.86 3hwx s HIS 49 Ca 0.06 0.59 0.05 0.00 -0.15 0.00 0.00 55.06 55.61 3hwx s HIS 49 Cb -0.12 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.53 3hwx s HIS 49 CO 0.01 0.62 -0.13 -1.01 -0.85 0.00 0.00 174.74 173.39 3hwx s HIS 50 N -1.27 1.12 -0.04 1.40 3.76 -0.24 -4.95 115.29 115.07 3hwx s HIS 50 Ca 0.26 -0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3hwx s HIS 50 Cb -0.13 -0.63 0.03 0.00 1.11 0.00 0.00 32.58 32.96 3hwx s HIS 50 CO 0.15 0.03 0.06 0.95 -0.85 0.00 0.00 174.74 175.08 3hwx s THR 51 N -1.49 -0.10 0.06 1.30 -4.23 -1.26 0.83 115.64 110.75 3hwx s THR 51 Ca -0.02 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 3hwx s THR 51 Cb -0.09 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.59 3hwx s THR 51 CO 0.02 0.13 0.03 -2.28 -0.54 0.00 0.00 174.62 171.98 3hwx s HIS 52 N 1.64 0.41 -0.56 3.99 5.04 -1.14 -4.98 115.29 119.69 3hwx s HIS 52 Ca -0.02 -0.92 0.13 0.00 -1.54 0.00 0.00 55.06 52.70 3hwx s HIS 52 Cb -0.12 -0.30 -0.15 0.00 0.04 0.00 0.00 32.58 32.05 3hwx s HIS 52 CO -0.03 -0.42 0.53 1.97 -2.34 0.00 0.00 174.74 174.45 3hwx n PHE 53 N 0.10 0.00 -3.46 3.88 1.16 -1.26 -3.93 117.46 113.94 3hwx n PHE 53 Ca -0.14 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.01 3hwx n PHE 53 Cb 0.61 -0.03 -0.08 0.00 -1.61 0.00 0.00 39.48 38.38 3hwx n PHE 53 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3hwx s ASP 54 N -2.34 5.93 0.29 5.98 -1.08 -1.26 -4.90 116.67 119.29 3hwx s ASP 54 Ca 0.04 -1.60 0.04 0.00 -0.52 0.00 0.00 52.55 50.51 3hwx s ASP 54 Cb 0.10 -2.10 0.69 0.00 -1.46 0.00 0.00 42.92 40.15 3hwx s ASP 54 CO 0.54 -0.68 1.76 -0.33 0.52 0.00 0.00 175.17 176.98 3hwx h GLU 55 N 8.63 0.63 0.47 4.34 3.07 -1.89 0.73 114.58 130.57 3hwx h GLU 55 Ca -0.26 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 3hwx h GLU 55 Cb 1.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3hwx h GLU 55 CO 0.88 0.42 -0.41 -0.09 -1.40 0.00 0.00 179.01 178.41 3hwx h ARG 56 N 0.65 -0.85 -0.67 2.33 2.43 -1.87 -0.22 114.38 116.18 3hwx h ARG 56 Ca 0.55 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.90 3hwx h ARG 56 Cb 0.89 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.54 3hwx h ARG 56 CO -0.41 -0.57 0.21 0.78 -1.51 0.00 0.00 179.97 178.47 3hwx h GLY 57 N -0.89 0.93 0.44 2.80 0.00 -1.57 -2.20 103.07 102.58 3hwx h GLY 57 Ca -0.05 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.27 3hwx h GLY 57 CO -0.03 -0.10 0.10 -2.00 0.00 0.00 0.00 176.54 174.51 3hwx h LEU 58 N 0.35 0.03 -0.80 3.11 5.85 0.11 0.96 115.31 124.91 3hwx h LEU 58 Ca 0.36 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.09 3hwx h LEU 58 Cb 0.53 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3hwx h LEU 58 CO -0.40 0.05 0.19 1.23 -0.34 0.00 0.00 178.44 179.17 3hwx h GLY 59 N 0.24 1.17 1.53 3.75 0.00 -0.60 -1.92 103.07 107.23 3hwx h GLY 59 Ca 0.23 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 3hwx h GLY 59 CO -0.29 0.66 -0.40 0.45 0.00 0.00 0.00 176.54 176.96 3hwx h HIS 60 N 1.04 0.62 -0.26 5.60 3.86 -0.81 -2.12 115.15 123.08 3hwx h HIS 60 Ca 0.22 -0.18 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3hwx h HIS 60 Cb 0.33 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.62 3hwx h HIS 60 CO 0.03 0.84 -0.04 1.25 0.86 0.00 0.00 177.93 180.87 3hwx h LEU 61 N 0.43 -0.19 -0.93 2.43 5.85 -0.30 0.21 115.31 122.82 3hwx h LEU 61 Ca 0.04 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3hwx h LEU 61 Cb 0.89 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3hwx h LEU 61 CO 0.08 -0.06 -0.27 0.00 -0.34 0.00 0.00 178.44 177.84 3hwx h ALA 62 N 1.24 1.09 -0.28 1.25 0.00 -1.03 -0.14 119.26 121.39 3hwx h ALA 62 Ca 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hwx h ALA 62 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3hwx h ALA 62 CO -0.24 0.56 0.04 1.25 0.00 0.00 0.00 179.25 180.86 3hwx h LEU 63 N 0.41 -0.03 -0.38 0.00 5.85 -1.21 0.13 115.31 120.08 3hwx h LEU 63 Ca 0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hwx h LEU 63 Cb 0.69 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3hwx h LEU 63 CO 0.05 0.02 0.20 1.23 -0.34 0.00 0.00 178.44 179.60 3hwx h GLY 64 N 0.13 0.52 0.85 3.75 0.00 0.78 0.72 103.07 109.81 3hwx h GLY 64 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3hwx h GLY 64 CO -0.19 0.11 0.34 1.41 0.00 0.00 0.00 176.54 178.21 3hwx h LEU 65 N 0.40 0.55 -0.17 3.11 3.38 -1.06 -2.54 115.31 118.98 3hwx h LEU 65 Ca 0.16 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 3hwx h LEU 65 Cb 0.05 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hwx h LEU 65 CO -0.10 0.38 -0.89 0.00 0.09 0.00 0.00 178.44 177.93 3hwx h ALA 66 N 1.26 0.33 -0.41 1.53 0.00 0.08 0.20 119.26 122.25 3hwx h ALA 66 Ca 0.24 -0.66 0.09 0.00 0.00 0.00 0.00 54.91 54.57 3hwx h ALA 66 Cb 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 3hwx h ALA 66 CO -0.11 0.74 -0.23 -0.22 0.00 0.00 0.00 179.25 179.43 3hwx h LYS 67 N 0.36 -0.15 0.00 0.00 3.64 0.43 -2.23 116.57 118.63 3hwx h LYS 67 Ca -0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3hwx h LYS 67 Cb 1.51 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 3hwx h LYS 67 CO 0.17 -0.10 -0.08 0.28 -2.27 0.00 0.00 179.45 177.44 3hwx h VAL 68 N -0.16 1.36 0.00 2.00 2.07 -1.36 -3.36 116.25 116.80 3hwx h VAL 68 Ca 0.19 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 3hwx h VAL 68 Cb 0.46 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3hwx h VAL 68 CO -0.50 0.46 -0.13 0.77 0.02 0.00 0.00 177.57 178.19 3hwx h SER 69 N -1.00 0.00 0.00 0.57 4.64 -0.69 -3.46 113.55 113.61 3hwx h SER 69 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hwx h SER 69 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3hwx h SER 69 CO -0.01 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 3hwx n LYS 70 N -3.28 -0.12 -2.51 4.77 4.76 -0.84 -5.02 118.16 115.93 3hwx n LYS 70 Ca 0.00 0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 3hwx n LYS 70 Cb 0.38 -3.09 0.03 0.00 -1.84 0.00 0.00 35.03 30.51 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 -0.29 2.88 0.20 1.97 -0.21 -1.26 -5.01 119.66 117.94 3hwx s GLN 71 Ca 0.00 -0.15 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 3hwx s GLN 71 Cb 0.00 -2.33 -0.08 0.00 1.00 0.00 0.00 33.01 31.60 3hwx s GLN 71 CO 0.00 -0.66 0.99 -1.25 -2.12 0.00 0.00 175.29 172.25 3hwx s PRO 72 N -4.91 4.75 -0.04 2.91 0.04 -1.26 -4.49 135.00 132.00 3hwx s PRO 72 Ca 0.53 1.54 0.06 0.00 0.04 0.00 0.00 61.00 63.18 3hwx s PRO 72 Cb -0.10 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 3hwx s PRO 72 CO 0.43 0.33 -0.22 0.08 0.04 0.00 0.00 177.00 177.66 3hwx s VAL 73 N -0.68 2.36 0.04 -0.36 1.01 0.15 -4.11 120.40 118.81 3hwx s VAL 73 Ca 0.44 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3hwx s VAL 73 Cb -0.26 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3hwx s VAL 73 CO 0.33 0.58 0.25 0.00 0.00 0.00 0.00 175.10 176.25 3hwx s ALA 74 N -0.53 3.92 -0.03 5.51 0.00 -0.69 0.90 121.76 130.84 3hwx s ALA 74 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3hwx s ALA 74 Cb -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3hwx s ALA 74 CO 0.00 0.74 -0.04 0.08 0.00 0.00 0.00 175.76 176.54 3hwx s VAL 75 N -1.44 0.45 -0.20 0.00 1.01 0.17 -0.75 120.40 119.64 3hwx s VAL 75 Ca 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3hwx s VAL 75 Cb -0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 3hwx s VAL 75 CO 0.22 0.18 -0.05 -0.63 0.00 0.00 0.00 175.10 174.82 3hwx s ILE 76 N 0.58 3.36 0.06 2.22 1.01 -0.61 0.14 121.20 127.96 3hwx s ILE 76 Ca -0.07 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3hwx s ILE 76 Cb -0.10 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3hwx s ILE 76 CO -0.00 0.44 -0.07 0.68 0.00 0.00 0.00 174.94 175.99 3hwx s VAL 77 N 1.26 0.56 0.83 2.92 -7.23 -1.09 -2.19 120.40 115.46 3hwx s VAL 77 Ca 0.03 -1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3hwx s VAL 77 Cb -0.14 -1.00 0.13 0.00 0.56 0.00 0.00 36.38 35.92 3hwx s VAL 77 CO -0.02 -0.58 1.17 0.28 -0.31 0.00 0.00 175.10 175.64 3hwx s THR 78 N -2.26 2.08 0.71 5.32 -1.32 -1.26 -1.94 115.64 116.98 3hwx s THR 78 Ca -0.02 -0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.21 3hwx s THR 78 Cb -0.04 -2.95 0.02 0.00 -1.51 0.00 0.00 72.50 68.02 3hwx s THR 78 CO -0.02 0.00 1.07 -0.94 -2.21 0.00 0.00 174.62 172.52 3hwx s SER 79 N -4.70 5.25 0.00 8.08 1.04 -1.18 -4.16 113.70 118.03 3hwx s SER 79 Ca 0.67 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.65 3hwx s SER 79 Cb -0.08 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3hwx s SER 79 CO 0.49 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3hwx n GLY 80 N -2.04 0.74 0.14 7.32 0.00 -1.26 -4.40 105.19 105.71 3hwx n GLY 80 Ca 0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 3hwx n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hwx h THR 81 N 0.00 1.45 -0.20 2.61 1.35 -1.92 -2.93 112.91 113.27 3hwx h THR 81 Ca 0.00 -2.23 0.06 0.00 -0.55 0.00 0.00 66.41 63.68 3hwx h THR 81 Cb 0.00 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3hwx h THR 81 CO 0.00 0.65 0.47 0.00 -0.25 0.00 0.00 175.52 176.38 3hwx h ALA 82 N 1.20 1.75 0.15 6.62 0.00 -1.81 -0.07 119.26 127.09 3hwx h ALA 82 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 3hwx h ALA 82 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hwx h ALA 82 CO 0.10 -0.57 -1.64 0.28 0.00 0.00 0.00 179.25 177.42 3hwx h VAL 83 N 0.00 1.05 0.00 0.00 2.07 -1.67 -3.25 116.25 114.44 3hwx h VAL 83 Ca 0.09 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3hwx h VAL 83 Cb 1.02 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 3hwx h VAL 83 CO -0.00 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.42 3hwx h ALA 84 N 0.31 1.00 0.00 1.67 0.00 -1.14 -2.90 119.26 118.21 3hwx h ALA 84 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hwx h ALA 84 Cb 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3hwx h ALA 84 CO 0.17 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3hwx n ASN 85 N -2.74 0.00 0.03 0.00 3.02 -1.02 -1.48 115.26 113.06 3hwx n ASN 85 Ca 0.02 -0.40 0.11 0.00 -0.03 0.00 0.00 54.58 54.28 3hwx n ASN 85 Cb 0.31 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 3hwx n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hwx n LEU 86 N -1.13 0.61 -0.37 3.41 4.77 -1.09 -2.93 117.00 120.27 3hwx n LEU 86 Ca 0.14 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 3hwx n LEU 86 Cb 0.12 -0.10 0.15 0.00 -2.33 0.00 0.00 43.42 41.27 3hwx n LEU 86 CO 0.15 0.04 1.28 0.22 -1.33 0.00 0.00 177.39 177.74 3hwx h TYR 87 N 0.00 1.22 0.59 -1.77 5.03 -1.45 0.13 116.97 120.73 3hwx h TYR 87 Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 3hwx h TYR 87 Cb 0.74 -0.41 0.01 0.00 1.55 0.00 0.00 36.73 38.62 3hwx h TYR 87 CO 0.00 0.69 -0.28 -1.35 -1.32 0.00 0.00 178.16 175.90 3hwx h PRO 88 N 1.25 -0.77 -0.16 1.82 0.11 -1.79 -1.13 132.00 131.33 3hwx h PRO 88 Ca 0.40 0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.51 3hwx h PRO 88 Cb 0.03 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3hwx h PRO 88 CO -0.13 -0.49 -0.14 0.00 -0.21 0.00 0.00 178.00 177.02 3hwx h ALA 89 N -0.46 1.46 -0.41 -0.75 0.00 -1.80 -2.80 119.26 114.51 3hwx h ALA 89 Ca -0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3hwx h ALA 89 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hwx h ALA 89 CO 0.13 0.38 -0.20 1.25 0.00 0.00 0.00 179.25 180.81 3hwx h LEU 90 N 0.24 0.81 0.16 0.00 5.85 -0.62 -2.01 115.31 119.73 3hwx h LEU 90 Ca 0.05 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3hwx h LEU 90 Cb 0.41 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hwx h LEU 90 CO 0.02 0.99 -0.08 0.40 -0.34 0.00 0.00 178.44 179.44 3hwx h ILE 91 N 0.70 0.88 -0.45 4.05 2.04 -1.00 -1.39 117.51 122.34 3hwx h ILE 91 Ca 0.10 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3hwx h ILE 91 Cb 0.71 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3hwx h ILE 91 CO 0.05 0.04 0.25 -0.08 0.00 0.00 0.00 178.15 178.41 3hwx h GLU 92 N -0.30 0.48 -0.79 2.37 4.57 -1.32 -0.24 114.58 119.35 3hwx h GLU 92 Ca -0.02 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3hwx h GLU 92 Cb 0.23 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 3hwx h GLU 92 CO 0.04 0.32 0.50 0.00 -1.18 0.00 0.00 179.01 178.68 3hwx h ALA 93 N 1.22 1.05 -0.42 2.92 0.00 -1.27 -0.06 119.26 122.70 3hwx h ALA 93 Ca 0.19 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.20 3hwx h ALA 93 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hwx h ALA 93 CO -0.11 0.29 0.44 0.78 0.00 0.00 0.00 179.25 180.66 3hwx h GLY 94 N 0.96 0.00 0.22 0.00 0.00 0.11 -0.06 103.07 104.30 3hwx h GLY 94 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.28 3hwx h GLY 94 CO -0.13 0.00 -2.18 1.04 0.00 0.00 0.00 176.54 175.27 3hwx n LEU 95 N -3.75 2.60 -0.65 3.11 4.77 -0.21 -4.56 117.00 118.31 3hwx n LEU 95 Ca 0.08 0.11 0.09 0.00 -0.03 0.00 0.00 56.01 56.26 3hwx n LEU 95 Cb 0.62 -0.98 0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3hwx n LEU 95 CO 0.28 0.79 0.47 0.35 -1.33 0.00 0.00 177.39 177.95 3hwx n THR 96 N -3.60 0.00 -0.11 -5.08 -2.24 -0.22 -4.98 114.28 98.05 3hwx n THR 96 Ca -0.41 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3hwx n THR 96 Cb 0.96 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.53 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 1.09 0.72 3.70 3.38 0.00 -0.06 -5.01 105.19 109.00 3hwx n GLY 97 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3hwx n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwx s GLU 98 N -0.89 4.34 -0.58 1.61 8.01 -1.22 -2.74 118.70 127.23 3hwx s GLU 98 Ca 0.00 1.88 -0.26 0.00 0.01 0.00 0.00 54.97 56.60 3hwx s GLU 98 Cb 0.00 -3.46 0.04 0.00 -4.31 0.00 0.00 34.13 26.40 3hwx s GLU 98 CO 0.00 -0.45 1.07 0.15 0.01 0.00 0.00 175.26 176.04 3hwx s LYS 99 N 1.83 3.38 -0.14 1.61 1.02 -1.22 -3.17 119.74 123.05 3hwx s LYS 99 Ca 0.61 -0.09 -0.01 0.00 0.02 0.00 0.00 55.97 56.50 3hwx s LYS 99 Cb -0.30 -4.06 -0.02 0.00 -0.52 0.00 0.00 37.83 32.93 3hwx s LYS 99 CO 0.27 -1.64 -0.11 -0.51 -0.92 0.00 0.00 175.35 172.45 3hwx s LEU 100 N 4.50 2.85 -0.47 3.17 1.43 -1.03 0.31 118.68 129.45 3hwx s LEU 100 Ca 0.35 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3hwx s LEU 100 Cb -0.10 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.58 3hwx s LEU 100 CO 0.21 0.16 0.30 -0.63 0.23 0.00 0.00 176.35 176.63 3hwx s ILE 101 N 0.36 3.78 -0.39 -0.59 -1.09 0.26 -1.24 121.20 122.29 3hwx s ILE 101 Ca -0.09 -2.04 -0.20 0.00 -2.23 0.00 0.00 60.65 56.09 3hwx s ILE 101 Cb -0.15 -3.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 3hwx s ILE 101 CO 0.05 -0.76 0.62 -0.76 -1.23 0.00 0.00 174.94 172.86 3hwx s LEU 102 N 1.10 4.36 -0.48 2.97 1.43 -0.19 0.42 118.68 128.28 3hwx s LEU 102 Ca 0.08 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 3hwx s LEU 102 Cb -0.24 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.33 3hwx s LEU 102 CO -0.03 -0.65 0.44 -0.76 0.23 0.00 0.00 176.35 175.58 3hwx s LEU 103 N 2.70 5.61 -0.28 1.79 1.43 0.38 -0.44 118.68 129.87 3hwx s LEU 103 Ca 0.23 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 3hwx s LEU 103 Cb -0.14 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 43.91 3hwx s LEU 103 CO 0.16 -0.70 -0.04 0.42 0.23 0.00 0.00 176.35 176.42 3hwx s THR 104 N 1.76 2.78 0.52 5.49 -4.23 0.34 -2.67 115.64 119.63 3hwx s THR 104 Ca 0.05 -1.39 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 3hwx s THR 104 Cb -0.24 -2.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.96 3hwx s THR 104 CO 0.07 -0.04 1.21 0.00 -0.54 0.00 0.00 174.62 175.32 3hwx s ALA 105 N 1.23 2.82 0.02 3.99 0.00 -0.82 -0.12 121.76 128.88 3hwx s ALA 105 Ca -0.05 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 3hwx s ALA 105 Cb -0.19 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3hwx s ALA 105 CO -0.02 -0.93 0.10 0.34 0.00 0.00 0.00 175.76 175.24 3hwx s ASP 106 N -1.36 0.13 0.72 0.00 -1.08 -0.46 -3.11 116.67 111.50 3hwx s ASP 106 Ca 0.69 -0.41 -0.14 0.00 -0.52 0.00 0.00 52.55 52.17 3hwx s ASP 106 Cb -0.31 0.20 0.03 0.00 -1.46 0.00 0.00 42.92 41.38 3hwx s ASP 106 CO 0.36 -0.43 1.16 -0.13 0.52 0.00 0.00 175.17 176.65 3hwx s ARG 107 N -2.01 2.33 0.85 4.34 1.81 -1.26 -1.42 118.95 123.58 3hwx s ARG 107 Ca -0.10 1.58 -0.11 0.00 -1.72 0.00 0.00 55.73 55.37 3hwx s ARG 107 Cb -0.05 -1.87 0.10 0.00 -0.45 0.00 0.00 34.95 32.68 3hwx s ARG 107 CO -0.02 -1.65 1.09 -1.25 -0.68 0.00 0.00 175.30 172.79 3hwx s PRO 108 N -4.07 1.64 0.23 3.54 0.04 -1.26 -4.66 135.00 130.46 3hwx s PRO 108 Ca 0.70 0.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 3hwx s PRO 108 Cb -0.25 -1.86 0.41 0.00 0.04 0.00 0.00 34.50 32.84 3hwx s PRO 108 CO 0.45 -1.96 1.26 -2.30 0.04 0.00 0.00 177.00 174.48 3hwx n PRO 109 N -3.69 -0.07 0.25 0.56 -0.01 -1.26 -1.29 135.00 129.49 3hwx n PRO 109 Ca 0.07 1.25 0.13 0.00 -0.01 0.00 0.00 63.50 64.94 3hwx n PRO 109 Cb 0.55 -1.88 0.79 0.00 -0.01 0.00 0.00 33.50 32.95 3hwx n PRO 109 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3hwx h GLU 110 N 0.00 0.00 -0.58 -0.52 3.07 -2.04 -2.15 114.58 112.36 3hwx h GLU 110 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3hwx h GLU 110 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3hwx h GLU 110 CO -0.82 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.07 3hwx n LEU 111 N -4.12 3.71 -4.84 1.33 4.77 -0.41 -4.89 117.00 112.55 3hwx n LEU 111 Ca -0.01 -1.79 -0.38 0.00 -0.03 0.00 0.00 56.01 53.80 3hwx n LEU 111 Cb 0.16 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 3hwx n LEU 111 CO 0.30 0.88 0.08 -0.63 -1.33 0.00 0.00 177.39 176.69 3hwx s ILE 112 N -1.19 5.08 -0.80 -0.08 -1.09 -0.81 -4.42 121.20 117.89 3hwx s ILE 112 Ca 0.44 0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 59.59 3hwx s ILE 112 Cb 0.24 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 3hwx s ILE 112 CO 0.32 0.58 0.66 0.47 -1.23 0.00 0.00 174.94 175.74 3hwx n ASP 113 N 1.87 -4.53 -2.70 3.58 8.00 -1.26 -4.93 116.55 116.58 3hwx n ASP 113 Ca -0.14 -0.30 -0.04 0.00 0.71 0.00 0.00 54.79 55.02 3hwx n ASP 113 Cb 0.53 -3.13 0.11 0.00 -0.02 0.00 0.00 41.12 38.60 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 -0.96 -0.38 3.74 0.00 0.00 -1.26 -4.89 105.19 101.43 3hwx n GLY 115 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3hwx n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx s ALA 116 N -1.96 3.57 0.28 4.61 0.00 -1.26 -4.95 121.76 122.06 3hwx s ALA 116 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 3hwx s ALA 116 Cb 0.00 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 3hwx s ALA 116 CO 0.00 -0.61 1.58 -1.71 0.00 0.00 0.00 175.76 175.01 3hwx n ASN 117 N 2.74 3.73 -1.38 0.00 2.85 -1.26 -2.54 115.26 119.40 3hwx n ASN 117 Ca 0.07 1.14 -0.16 0.00 -0.11 0.00 0.00 54.58 55.52 3hwx n ASN 117 Cb 0.42 -1.57 -0.05 0.00 1.24 0.00 0.00 39.78 39.81 3hwx n ASN 117 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3hwx n GLN 118 N 2.19 -1.16 -3.98 1.20 7.27 -1.26 -4.93 117.38 116.70 3hwx n GLN 118 Ca 0.09 1.00 -0.32 0.00 0.07 0.00 0.00 57.00 57.84 3hwx n GLN 118 Cb 0.36 -5.24 -0.14 0.00 2.41 0.00 0.00 30.24 27.63 3hwx n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hwx s ALA 119 N -2.65 2.86 0.25 1.69 0.00 -1.05 -4.07 121.76 118.78 3hwx s ALA 119 Ca 0.00 -2.32 0.09 0.00 0.00 0.00 0.00 51.96 49.73 3hwx s ALA 119 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 3hwx s ALA 119 CO 0.00 -1.57 -0.14 0.96 0.00 0.00 0.00 175.76 175.01 3hwx s ILE 120 N 1.01 1.93 -0.63 0.00 -4.36 -1.26 -4.48 121.20 113.40 3hwx s ILE 120 Ca 0.05 -2.24 -0.26 0.00 -0.26 0.00 0.00 60.65 57.94 3hwx s ILE 120 Cb -0.20 -2.23 -0.02 0.00 1.25 0.00 0.00 42.46 41.26 3hwx s ILE 120 CO -0.06 -0.46 1.83 -0.13 0.24 0.00 0.00 174.94 176.36 3hwx s ARG 121 N -3.63 2.66 -0.08 0.37 0.52 -1.26 -4.87 118.95 112.66 3hwx s ARG 121 Ca 0.26 0.52 0.16 0.00 -0.52 0.00 0.00 55.73 56.15 3hwx s ARG 121 Cb -0.01 -4.41 -0.23 0.00 0.52 0.00 0.00 34.95 30.83 3hwx s ARG 121 CO 0.10 -2.73 0.46 1.04 0.02 0.00 0.00 175.30 174.20 3hwx n GLN 122 N 9.19 0.65 -2.10 3.54 6.02 -1.26 -4.73 117.38 128.70 3hwx n GLN 122 Ca 0.20 0.14 -0.39 0.00 -0.01 0.00 0.00 57.00 56.95 3hwx n GLN 122 Cb 0.52 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 30.10 3hwx n GLN 122 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3hwx s PRO 123 N -2.67 3.81 -1.24 -1.09 0.02 -1.26 -1.58 135.00 131.01 3hwx s PRO 123 Ca -0.07 2.03 0.00 0.00 0.02 0.00 0.00 61.00 62.99 3hwx s PRO 123 Cb 0.08 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3hwx s PRO 123 CO 0.83 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 3hwx n GLY 124 N 0.62 1.11 0.28 0.52 0.00 -1.26 -4.84 105.19 101.61 3hwx n GLY 124 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 3hwx n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx h MET 125 N 0.00 0.00 -0.56 1.61 -0.00 -1.58 -1.25 114.93 113.16 3hwx h MET 125 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.46 3hwx h MET 125 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 3hwx h MET 125 CO 0.35 0.00 0.00 1.19 -0.00 0.00 0.00 176.91 178.45 3hwx n PHE 126 N -3.08 0.86 0.00 -0.10 3.72 -1.26 -5.03 117.46 112.56 3hwx n PHE 126 Ca 0.00 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3hwx n PHE 126 Cb 0.30 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.77 0.00 0.22 4.37 0.00 -0.47 -2.27 120.51 123.12 3hwx n ALA 127 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.68 3hwx n ALA 127 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.11 3hwx n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hwx n SER 128 N 3.84 2.63 0.18 0.00 3.41 -1.26 -4.48 113.62 117.94 3hwx n SER 128 Ca 0.00 -1.78 0.05 0.00 -0.26 0.00 0.00 58.87 56.89 3hwx n SER 128 Cb 0.00 -0.13 0.28 0.00 -0.26 0.00 0.00 64.21 64.10 3hwx n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hwx h HIS 129 N 2.70 0.00 -3.88 7.33 -0.00 -1.87 -3.44 115.15 115.99 3hwx h HIS 129 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.88 3hwx h HIS 129 Cb 0.68 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.11 3hwx h HIS 129 CO 0.13 0.40 0.21 -2.14 -0.00 0.00 0.00 177.93 176.54 3hwx s PRO 130 N -3.49 3.81 0.13 2.45 0.02 -1.26 -4.53 135.00 132.12 3hwx s PRO 130 Ca 0.01 0.62 -0.10 0.00 0.02 0.00 0.00 61.00 61.54 3hwx s PRO 130 Cb 0.10 -2.29 -0.07 0.00 0.02 0.00 0.00 34.50 32.26 3hwx s PRO 130 CO 0.70 -0.15 1.39 1.15 -0.33 0.00 0.00 177.00 179.76 3hwx h THR 131 N 0.90 1.29 -3.50 0.99 2.02 -0.58 -3.45 112.91 110.58 3hwx h THR 131 Ca -0.47 -1.84 -0.25 0.00 0.77 0.00 0.00 66.41 64.63 3hwx h THR 131 Cb 1.19 1.78 -0.31 0.00 -1.74 0.00 0.00 68.15 69.07 3hwx h THR 131 CO 0.63 0.59 -0.67 -1.00 0.37 0.00 0.00 175.52 175.44 3hwx s HIS 132 N -3.97 -0.05 -0.04 3.16 3.76 -1.14 -5.04 115.29 111.98 3hwx s HIS 132 Ca -0.10 0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 3hwx s HIS 132 Cb 0.10 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.67 3hwx s HIS 132 CO 0.89 -0.08 -0.05 -1.12 -0.85 0.00 0.00 174.74 173.53 3hwx s SER 133 N 0.62 4.79 -0.08 1.40 0.01 -1.26 -1.24 113.70 117.94 3hwx s SER 133 Ca -0.05 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.18 3hwx s SER 133 Cb -0.07 -1.20 0.02 0.00 0.21 0.00 0.00 66.02 64.98 3hwx s SER 133 CO -0.02 0.33 -0.07 -0.63 0.41 0.00 0.00 173.24 173.25 3hwx s ILE 134 N -0.92 0.86 -0.32 1.44 1.01 -0.20 -4.95 121.20 118.12 3hwx s ILE 134 Ca 0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3hwx s ILE 134 Cb -0.11 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.51 3hwx s ILE 134 CO 0.05 0.32 0.11 -0.55 0.00 0.00 0.00 174.94 174.86 3hwx s SER 135 N 1.25 5.28 0.13 3.58 0.15 -1.26 -1.71 113.70 121.12 3hwx s SER 135 Ca -0.05 -0.83 -0.24 0.00 0.70 0.00 0.00 55.95 55.53 3hwx s SER 135 Cb -0.14 -1.91 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 3hwx s SER 135 CO -0.02 -0.25 0.73 -0.76 1.20 0.00 0.00 173.24 174.14 3hwx s LEU 136 N 1.49 4.56 0.93 3.45 1.43 -0.94 -4.99 118.68 124.62 3hwx s LEU 136 Ca 0.02 1.53 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 3hwx s LEU 136 Cb -0.18 -3.20 0.15 0.00 0.03 0.00 0.00 46.19 42.99 3hwx s LEU 136 CO 0.03 0.19 1.16 -2.16 0.23 0.00 0.00 176.35 175.80 3hwx s PRO 137 N -0.96 0.97 0.07 1.29 0.04 -1.26 -4.48 135.00 130.66 3hwx s PRO 137 Ca 0.35 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.26 3hwx s PRO 137 Cb -0.22 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3hwx s PRO 137 CO 0.24 -2.29 1.78 0.50 0.04 0.00 0.00 177.00 177.27 3hwx s ARG 138 N -5.37 4.16 0.29 4.56 3.52 -1.26 -4.69 118.95 120.16 3hwx s ARG 138 Ca 0.65 2.47 -0.29 0.00 -0.13 0.00 0.00 55.73 58.44 3hwx s ARG 138 Cb -0.13 -3.74 -0.14 0.00 -1.56 0.00 0.00 34.95 29.38 3hwx s ARG 138 CO 0.53 -0.83 1.13 -2.30 -0.81 0.00 0.00 175.30 173.03 3hwx n PRO 139 N 6.14 1.62 -3.66 5.12 -0.02 -1.26 -5.01 135.00 137.93 3hwx n PRO 139 Ca 0.17 0.57 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 3hwx n PRO 139 Cb 0.40 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 3hwx n PRO 139 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hwx s THR 140 N -0.93 0.01 -0.62 3.45 -1.32 -1.26 -5.03 115.64 109.93 3hwx s THR 140 Ca 0.59 -0.05 0.20 0.00 -1.21 0.00 0.00 61.69 61.23 3hwx s THR 140 Cb -0.67 -0.81 0.20 0.00 -1.51 0.00 0.00 72.50 69.71 3hwx s THR 140 CO 0.59 -0.03 1.62 0.00 -2.21 0.00 0.00 174.62 174.59 3hwx n GLN 141 N 2.32 0.13 0.00 7.08 6.02 -1.26 -1.63 117.38 130.04 3hwx n GLN 141 Ca -0.15 0.39 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 3hwx n GLN 141 Cb 0.56 -1.76 0.79 0.00 1.02 0.00 0.00 30.24 30.85 3hwx n GLN 141 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hwx n ASP 142 N -2.01 0.00 -4.34 1.08 8.00 -1.26 -4.51 116.55 113.51 3hwx n ASP 142 Ca 0.02 -0.61 -0.35 0.00 0.71 0.00 0.00 54.79 54.56 3hwx n ASP 142 Cb 0.19 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 3hwx n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hwx s ILE 143 N -2.20 3.44 0.38 0.53 1.01 -0.64 -5.11 121.20 118.60 3hwx s ILE 143 Ca 0.37 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.30 3hwx s ILE 143 Cb 0.19 -2.55 -0.10 0.00 0.01 0.00 0.00 42.46 40.01 3hwx s ILE 143 CO 0.36 0.44 0.97 -2.16 0.00 0.00 0.00 174.94 174.55 3hwx s PRO 144 N 1.24 4.37 0.59 2.79 0.04 -1.26 -4.83 135.00 137.94 3hwx s PRO 144 Ca 0.03 1.30 0.29 0.00 0.04 0.00 0.00 61.00 62.65 3hwx s PRO 144 Cb -0.14 -2.54 1.56 0.00 0.04 0.00 0.00 34.50 33.42 3hwx s PRO 144 CO -0.01 0.09 1.99 0.00 0.04 0.00 0.00 177.00 179.10 3hwx h ALA 145 N 2.60 2.01 -0.16 8.56 0.00 -1.94 0.37 119.26 130.69 3hwx h ALA 145 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3hwx h ALA 145 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hwx h ALA 145 CO 0.63 -0.52 -0.16 0.07 0.00 0.00 0.00 179.25 179.28 3hwx h ARG 146 N 0.00 0.27 -0.03 0.00 0.11 -1.91 -1.18 114.38 111.64 3hwx h ARG 146 Ca 0.15 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 3hwx h ARG 146 Cb 0.85 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.90 3hwx h ARG 146 CO -0.00 0.43 0.00 2.35 0.10 0.00 0.00 179.97 182.85 3hwx h TRP 147 N 0.25 0.06 -0.43 4.08 7.01 -0.63 -1.74 115.95 124.55 3hwx h TRP 147 Ca 0.05 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.09 3hwx h TRP 147 Cb 0.43 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 3hwx h TRP 147 CO 0.01 0.32 0.17 1.25 -2.79 0.00 0.00 178.44 177.40 3hwx h LEU 148 N -0.22 0.21 -0.91 0.65 5.85 -1.44 -1.16 115.31 118.28 3hwx h LEU 148 Ca 0.01 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3hwx h LEU 148 Cb 0.30 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hwx h LEU 148 CO 0.00 0.16 -0.50 1.62 -0.34 0.00 0.00 178.44 179.38 3hwx h VAL 149 N 0.35 1.36 -0.20 1.05 3.04 -1.24 -2.68 116.25 117.93 3hwx h VAL 149 Ca 0.19 -1.73 -0.08 0.00 -1.01 0.00 0.00 66.70 64.07 3hwx h VAL 149 Cb 0.16 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 3hwx h VAL 149 CO -0.18 0.50 -0.22 0.28 -1.01 0.00 0.00 177.57 176.95 3hwx h SER 150 N 0.09 0.35 0.00 3.17 0.02 -0.30 -0.37 113.55 116.50 3hwx h SER 150 Ca 0.00 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3hwx h SER 150 Cb 0.92 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3hwx h SER 150 CO 0.07 0.58 -0.21 0.74 -1.14 0.00 0.00 176.83 176.86 3hwx h THR 151 N 0.32 1.57 0.20 -2.27 2.02 -1.03 -1.06 112.91 112.66 3hwx h THR 151 Ca 0.05 -1.98 0.01 0.00 0.77 0.00 0.00 66.41 65.27 3hwx h THR 151 Cb 0.57 2.84 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 3hwx h THR 151 CO 0.04 0.54 -0.46 0.40 0.37 0.00 0.00 175.52 176.41 3hwx h ILE 152 N -0.57 0.10 -0.93 3.11 5.03 -1.49 -2.54 117.51 120.21 3hwx h ILE 152 Ca -0.03 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.91 3hwx h ILE 152 Cb 0.99 0.10 -0.08 0.00 -3.03 0.00 0.00 36.82 34.81 3hwx h ILE 152 CO 0.04 0.00 0.61 0.44 -0.68 0.00 0.00 178.15 178.56 3hwx h ASP 153 N -0.74 0.50 -0.18 1.72 3.32 -1.04 0.43 116.42 120.42 3hwx h ASP 153 Ca -0.00 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 3hwx h ASP 153 Cb 0.73 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3hwx h ASP 153 CO -0.22 0.19 -0.48 -0.74 -1.72 0.00 0.00 179.24 176.28 3hwx h HIS 154 N 0.49 0.92 0.00 4.55 -0.00 -0.99 -1.91 115.15 118.21 3hwx h HIS 154 Ca 0.50 -0.30 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3hwx h HIS 154 Cb 1.11 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 3hwx h HIS 154 CO -0.00 1.08 -0.40 0.00 -0.00 0.00 0.00 177.93 178.61 3hwx h ALA 155 N 0.87 0.76 0.03 5.26 0.00 0.17 -3.06 119.26 123.29 3hwx h ALA 155 Ca 0.03 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.27 3hwx h ALA 155 Cb 1.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3hwx h ALA 155 CO 0.10 0.46 -1.98 1.28 0.00 0.00 0.00 179.25 179.11 3hwx n LEU 156 N -3.18 1.40 0.17 0.00 4.32 0.05 -3.46 117.00 116.29 3hwx n LEU 156 Ca 0.02 0.23 0.03 0.00 -0.02 0.00 0.00 56.01 56.28 3hwx n LEU 156 Cb 0.68 -0.22 0.26 0.00 -1.62 0.00 0.00 43.42 42.52 3hwx n LEU 156 CO 0.39 0.59 0.61 1.23 -1.22 0.00 0.00 177.39 178.98 3hwx h GLY 157 N 2.81 0.00 -3.22 -0.72 0.00 -1.45 -2.95 103.07 97.53 3hwx h GLY 157 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3hwx h GLY 157 CO 0.06 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.30 3hwx n THR 158 N -3.59 2.08 -2.64 4.70 -2.24 -1.16 -4.09 114.28 107.33 3hwx n THR 158 Ca -0.00 -1.23 -0.42 0.00 -2.27 0.00 0.00 64.05 60.13 3hwx n THR 158 Cb 0.56 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3hwx n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hwx s LEU 159 N -2.08 3.55 0.42 3.22 2.96 -1.12 -4.83 118.68 120.80 3hwx s LEU 159 Ca 0.52 -0.70 0.23 0.00 -0.22 0.00 0.00 54.13 53.96 3hwx s LEU 159 Cb 0.35 -2.52 0.48 0.00 0.50 0.00 0.00 46.19 45.00 3hwx s LEU 159 CO 0.23 -1.70 1.64 -0.74 -1.32 0.00 0.00 176.35 174.46 3hwx h HIS 160 N 9.87 0.00 0.00 5.38 -0.00 -1.89 -3.48 115.15 125.03 3hwx h HIS 160 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 3hwx h HIS 160 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 3hwx h HIS 160 CO 1.10 0.15 0.00 0.00 -0.00 0.00 0.00 177.93 179.18 3hwx n ALA 161 N -2.14 0.00 0.00 5.26 0.00 -1.26 -5.01 120.51 117.35 3hwx n ALA 161 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hwx n ALA 161 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3hwx n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwx n GLY 162 N -0.22 -1.79 3.97 0.00 0.00 -1.11 -4.75 105.19 101.29 3hwx n GLY 162 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.07 1.56 -0.05 -0.02 0.00 -1.25 -2.45 107.32 105.04 3hwx s GLY 163 Ca 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 3hwx s GLY 163 CO 0.00 -1.17 0.10 0.14 0.00 0.00 0.00 173.10 172.17 3hwx s VAL 164 N -2.32 -0.13 -0.38 1.40 1.01 -0.38 0.15 120.40 119.75 3hwx s VAL 164 Ca 0.46 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 3hwx s VAL 164 Cb -0.10 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.11 3hwx s VAL 164 CO 0.34 0.14 0.23 -2.28 0.00 0.00 0.00 175.10 173.53 3hwx s HIS 165 N 1.83 3.24 -0.33 5.22 2.46 -0.37 -1.02 115.29 126.31 3hwx s HIS 165 Ca -0.01 -0.79 -0.04 0.00 0.47 0.00 0.00 55.06 54.70 3hwx s HIS 165 Cb -0.12 -2.48 0.05 0.00 -0.13 0.00 0.00 32.58 29.90 3hwx s HIS 165 CO -0.04 -0.60 0.08 0.42 -2.47 0.00 0.00 174.74 172.12 3hwx s ILE 166 N 1.60 3.41 0.03 0.89 1.01 0.42 -1.03 121.20 127.53 3hwx s ILE 166 Ca 0.03 -1.36 -0.19 0.00 0.00 0.00 0.00 60.65 59.13 3hwx s ILE 166 Cb -0.19 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 3hwx s ILE 166 CO 0.08 -0.22 0.57 0.21 0.00 0.00 0.00 174.94 175.57 3hwx s ASN 167 N 1.42 7.00 -0.44 3.58 2.47 -0.69 -0.51 114.94 127.78 3hwx s ASN 167 Ca -0.02 1.19 0.02 0.00 0.42 0.00 0.00 52.86 54.48 3hwx s ASN 167 Cb -0.20 -2.35 0.15 0.00 -1.45 0.00 0.00 41.25 37.40 3hwx s ASN 167 CO 0.00 0.20 0.29 0.00 -3.72 0.00 0.00 177.10 173.88 3hwx s PRO 169 N 0.25 4.37 -0.03 0.00 0.02 -1.26 -1.36 135.00 136.99 3hwx s PRO 169 Ca 0.23 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.06 3hwx s PRO 169 Cb -0.13 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.49 3hwx s PRO 169 CO -0.08 -0.03 -0.03 -0.06 -0.33 0.00 0.00 177.00 176.48 3hwx s PHE 170 N -1.32 0.52 0.03 6.54 0.08 -0.51 -4.39 117.98 118.93 3hwx s PHE 170 Ca 0.51 -0.10 -0.20 0.00 0.12 0.00 0.00 56.93 57.26 3hwx s PHE 170 Cb -0.30 -0.50 -0.06 0.00 -0.57 0.00 0.00 43.02 41.59 3hwx s PHE 170 CO 0.39 -0.14 0.59 0.00 -0.10 0.00 0.00 175.22 175.96 3hwx s ALA 171 N 0.80 3.53 0.69 5.36 0.00 -1.26 -4.03 121.76 126.85 3hwx s ALA 171 Ca -0.09 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 3hwx s ALA 171 Cb -0.12 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.30 3hwx s ALA 171 CO -0.01 0.26 1.13 0.39 0.00 0.00 0.00 175.76 177.54 3hwx n GLU 172 N 2.29 0.73 -3.05 0.00 1.02 -1.26 -4.39 120.64 115.98 3hwx n GLU 172 Ca -0.08 0.31 -0.41 0.00 -0.02 0.00 0.00 57.16 56.96 3hwx n GLU 172 Cb 0.51 -2.37 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 3hwx n GLU 172 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hwx s PRO 173 N -3.40 4.11 0.20 3.49 0.04 -1.26 -5.00 135.00 133.19 3hwx s PRO 173 Ca 0.77 0.63 0.11 0.00 0.04 0.00 0.00 61.00 62.56 3hwx s PRO 173 Cb -0.36 -3.65 -0.06 0.00 0.04 0.00 0.00 34.50 30.46 3hwx s PRO 173 CO 0.46 -0.45 1.37 -0.07 0.04 0.00 0.00 177.00 178.34 3hwx h LEU 174 N 9.01 0.00 -9.63 -3.56 3.38 -1.92 -2.93 115.31 109.66 3hwx h LEU 174 Ca -0.26 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.09 3hwx h LEU 174 Cb 1.11 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 3hwx h LEU 174 CO 0.80 0.74 -0.61 -0.31 0.09 0.00 0.00 178.44 179.15 3hwx s TYR 175 N -2.84 3.12 0.00 1.13 2.02 -1.26 -4.81 117.35 114.70 3hwx s TYR 175 Ca 0.03 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3hwx s TYR 175 Cb 0.09 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 3hwx s TYR 175 CO 0.78 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 175.68 3hwx n GLY 176 N 0.25 -0.89 3.75 0.71 0.00 -1.26 -4.73 105.19 103.03 3hwx n GLY 176 Ca -0.09 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 3hwx n GLY 176 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwx s GLU 177 N -2.00 4.17 -0.00 1.61 2.12 -1.26 -4.89 118.70 118.45 3hwx s GLU 177 Ca 0.00 2.49 -0.06 0.00 0.36 0.00 0.00 54.97 57.76 3hwx s GLU 177 Cb 0.00 -3.04 -0.26 0.00 0.26 0.00 0.00 34.13 31.09 3hwx s GLU 177 CO 0.00 -0.55 3.60 -0.12 -0.54 0.00 0.00 175.26 177.65 3hwx n MET 178 N 1.99 1.99 -0.59 4.30 0.00 -1.26 -4.58 117.12 118.96 3hwx n MET 178 Ca 0.07 -0.99 -0.19 0.00 -0.00 0.00 0.00 57.70 56.58 3hwx n MET 178 Cb 0.38 -1.98 0.01 0.00 0.00 0.00 0.00 33.22 31.63 3hwx n MET 178 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3hwx n ASP 179 N 2.47 -2.32 -2.92 6.12 -0.08 -1.26 -4.91 116.55 113.64 3hwx n ASP 179 Ca 0.42 0.24 -0.39 0.00 -1.51 0.00 0.00 54.79 53.55 3hwx n ASP 179 Cb 0.91 -0.41 0.03 0.00 2.34 0.00 0.00 41.12 43.99 3hwx n ASP 179 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3hwx n ASP 180 N 1.46 7.48 0.08 1.67 5.68 -1.26 -4.73 116.55 126.93 3hwx n ASP 180 Ca 0.02 -3.80 0.01 0.00 -0.50 0.00 0.00 54.79 50.52 3hwx n ASP 180 Cb 0.26 -1.08 0.33 0.00 -1.14 0.00 0.00 41.12 39.48 3hwx n ASP 180 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3hwx h THR 181 N 2.01 1.21 -0.39 2.12 2.02 -1.87 -3.01 112.91 114.99 3hwx h THR 181 Ca 0.56 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3hwx h THR 181 Cb 0.07 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3hwx h THR 181 CO 1.40 0.30 0.00 0.61 0.37 0.00 0.00 175.52 178.20 3hwx n GLY 182 N -0.71 2.82 0.37 2.16 0.00 -1.26 -4.81 105.19 103.75 3hwx n GLY 182 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 3hwx n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hwx h LEU 183 N 2.31 -1.06 -1.55 0.99 6.46 -1.89 -1.15 115.31 119.42 3hwx h LEU 183 Ca 0.00 0.12 0.18 0.00 -0.12 0.00 0.00 57.88 58.06 3hwx h LEU 183 Cb 0.82 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 3hwx h LEU 183 CO 0.02 -0.44 0.56 0.28 -0.62 0.00 0.00 178.44 178.23 3hwx h SER 184 N -0.59 0.39 -0.20 1.25 0.02 -1.87 0.31 113.55 112.87 3hwx h SER 184 Ca 0.03 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3hwx h SER 184 Cb 0.62 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3hwx h SER 184 CO -0.22 0.18 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.30 3hwx h TRP 185 N 0.40 0.48 -0.75 3.45 7.01 -1.58 -2.69 115.95 122.27 3hwx h TRP 185 Ca 0.43 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 61.32 3hwx h TRP 185 Cb 1.04 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.95 3hwx h TRP 185 CO -0.00 0.71 0.49 1.96 -2.79 0.00 0.00 178.44 178.81 3hwx h GLN 186 N 0.11 0.97 0.00 2.65 4.20 -0.57 -2.82 115.11 119.64 3hwx h GLN 186 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hwx h GLN 186 Cb 0.58 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3hwx h GLN 186 CO 0.03 0.64 0.00 1.04 -0.67 0.00 0.00 178.83 179.87 3hwx n GLN 187 N -4.58 0.32 0.00 1.46 6.02 0.01 -2.57 117.38 118.05 3hwx n GLN 187 Ca 0.08 0.08 0.15 0.00 -0.01 0.00 0.00 57.00 57.30 3hwx n GLN 187 Cb 0.03 -1.50 0.87 0.00 1.02 0.00 0.00 30.24 30.66 3hwx n GLN 187 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx n ARG 188 N -1.16 0.81 0.00 -1.09 5.12 -1.06 -2.63 116.66 116.64 3hwx n ARG 188 Ca 0.09 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.13 3hwx n ARG 188 Cb 0.09 -1.50 0.25 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.08 0.95 0.00 0.55 4.77 -1.06 -4.95 117.00 116.18 3hwx n LEU 189 Ca 0.21 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3hwx n LEU 189 Cb 0.14 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hwx n LEU 189 CO 0.19 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3hwx n GLY 190 N 1.42 1.72 0.00 -0.72 0.00 -1.08 -2.57 105.19 103.96 3hwx n GLY 190 Ca 0.09 -0.57 0.09 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 -0.37 0.00 -0.35 1.61 5.68 -1.26 -2.68 116.55 119.19 3hwx n ASP 191 Ca 0.00 -0.45 0.16 0.00 -0.50 0.00 0.00 54.79 54.00 3hwx n ASP 191 Cb 0.00 -0.06 0.36 0.00 -1.14 0.00 0.00 41.12 40.28 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 1.01 -0.27 2.11 7.01 -1.89 -1.76 115.95 122.16 3hwx h TRP 192 Ca 0.00 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.06 3hwx h TRP 192 Cb 0.04 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3hwx h TRP 192 CO 0.00 0.12 0.18 -1.49 -2.79 0.00 0.00 178.44 174.46 3hwx h TRP 193 N 0.63 0.27 -0.00 2.65 4.06 -1.73 0.77 115.95 122.60 3hwx h TRP 193 Ca 0.62 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.57 3hwx h TRP 193 Cb 1.10 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 3hwx h TRP 193 CO -0.01 0.16 -0.71 1.04 -3.56 0.00 0.00 178.44 175.36 3hwx n GLN 194 N -4.50 0.06 -1.42 0.49 3.00 -0.74 -4.95 117.38 109.33 3hwx n GLN 194 Ca 0.02 -0.04 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 3hwx n GLN 194 Cb 0.14 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 29.07 3hwx n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hwx s ASP 195 N -2.97 2.27 0.00 1.08 2.15 0.26 -5.04 116.67 114.42 3hwx s ASP 195 Ca 0.10 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.75 3hwx s ASP 195 Cb 0.17 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.82 3hwx s ASP 195 CO 0.76 -3.29 0.23 -0.90 -0.17 0.00 0.00 175.17 171.81 3hwx n ASP 196 N -4.21 0.47 -4.92 -0.34 5.75 -1.26 -5.01 116.55 107.03 3hwx n ASP 196 Ca 0.11 -1.00 -0.26 0.00 -0.01 0.00 0.00 54.79 53.63 3hwx n ASP 196 Cb 0.59 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.71 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hwx s LYS 197 N -0.00 3.03 0.85 0.11 -0.14 -1.26 -4.78 119.74 117.55 3hwx s LYS 197 Ca 0.00 -0.07 -0.13 0.00 -1.36 0.00 0.00 55.97 54.42 3hwx s LYS 197 Cb 0.00 -2.34 0.08 0.00 -1.68 0.00 0.00 37.83 33.89 3hwx s LYS 197 CO 0.00 -0.55 1.01 -2.30 -0.76 0.00 0.00 175.35 172.74 3hwx n PRO 198 N -2.45 -0.03 -0.01 -1.68 -0.02 -1.26 -4.87 135.00 124.67 3hwx n PRO 198 Ca 0.03 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 3hwx n PRO 198 Cb 0.57 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.19 0.13 -3.24 6.00 2.91 -1.96 -3.42 115.95 115.18 3hwx h TRP 199 Ca -0.45 -0.01 -0.56 0.00 1.13 0.00 0.00 58.89 59.00 3hwx h TRP 199 Cb 1.29 -0.04 -0.37 0.00 -0.51 0.00 0.00 29.16 29.53 3hwx h TRP 199 CO 0.45 0.23 -0.81 -1.17 -1.03 0.00 0.00 178.44 176.11 3hwx s LEU 200 N -9.89 1.52 -0.37 0.65 2.96 -1.26 -5.10 118.68 107.19 3hwx s LEU 200 Ca -0.14 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.09 3hwx s LEU 200 Cb 0.06 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.79 3hwx s LEU 200 CO 0.68 -0.13 0.46 -0.13 -1.32 0.00 0.00 176.35 175.91 3hwx s ARG 201 N 1.62 3.46 -0.22 1.98 0.52 -1.26 -4.69 118.95 120.35 3hwx s ARG 201 Ca 0.03 -0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3hwx s ARG 201 Cb -0.14 -3.85 0.10 0.00 0.52 0.00 0.00 34.95 31.58 3hwx s ARG 201 CO -0.08 -0.68 0.21 -2.00 0.02 0.00 0.00 175.30 172.77 3hwx s GLU 202 N 2.26 0.20 -0.45 3.54 2.12 -1.26 -5.02 118.70 120.08 3hwx s GLU 202 Ca 0.15 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.62 3hwx s GLU 202 Cb -0.16 -1.18 0.29 0.00 0.26 0.00 0.00 34.13 33.34 3hwx s GLU 202 CO 0.13 -0.73 1.07 0.00 -0.54 0.00 0.00 175.26 175.19 3hwx n ALA 203 N 5.31 -1.43 -1.81 6.30 0.00 -1.26 -3.39 120.51 124.24 3hwx n ALA 203 Ca -0.05 -1.26 -0.41 0.00 0.00 0.00 0.00 53.44 51.72 3hwx n ALA 203 Cb 0.49 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 3hwx n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hwx s PRO 204 N 0.40 4.24 0.43 0.00 0.04 -1.26 -5.01 135.00 133.83 3hwx s PRO 204 Ca 0.26 2.38 -0.20 0.00 0.04 0.00 0.00 61.00 63.48 3hwx s PRO 204 Cb 0.26 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 3hwx s PRO 204 CO -0.14 -0.41 0.93 1.03 0.04 0.00 0.00 177.00 178.45 3hwx s ARG 205 N -1.22 4.16 -0.33 4.56 0.52 -1.26 -5.01 118.95 120.37 3hwx s ARG 205 Ca 0.55 1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 56.76 3hwx s ARG 205 Cb -0.43 -2.20 0.05 0.00 0.52 0.00 0.00 34.95 32.89 3hwx s ARG 205 CO 0.51 -0.04 0.07 -1.17 0.02 0.00 0.00 175.30 174.69 3hwx s LEU 206 N -3.30 4.26 -0.06 2.53 2.96 -1.26 -5.08 118.68 118.72 3hwx s LEU 206 Ca 0.61 -1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 3hwx s LEU 206 Cb -0.09 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.84 3hwx s LEU 206 CO 0.16 -0.33 0.13 -0.70 -1.32 0.00 0.00 176.35 174.30 3hwx s GLU 207 N 1.31 0.05 0.34 1.98 2.12 -1.26 -4.76 118.70 118.47 3hwx s GLU 207 Ca -0.02 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.42 3hwx s GLU 207 Cb -0.20 -0.23 -0.10 0.00 0.26 0.00 0.00 34.13 33.85 3hwx s GLU 207 CO 0.00 -0.21 1.34 -1.12 -0.54 0.00 0.00 175.26 174.73 3hwx s SER 208 N 1.51 6.69 0.76 -1.70 0.01 -0.98 -5.01 113.70 114.97 3hwx s SER 208 Ca -0.05 2.76 -0.11 0.00 1.31 0.00 0.00 55.95 59.86 3hwx s SER 208 Cb -0.12 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.51 3hwx s SER 208 CO -0.05 -0.60 1.09 -0.70 0.41 0.00 0.00 173.24 173.38 3hwx s GLU 209 N -1.84 2.36 0.14 12.44 2.12 -1.26 -4.93 118.70 127.73 3hwx s GLU 209 Ca 0.50 1.15 -0.34 0.00 0.36 0.00 0.00 54.97 56.63 3hwx s GLU 209 Cb -0.41 -1.91 -0.14 0.00 0.26 0.00 0.00 34.13 31.93 3hwx s GLU 209 CO 0.55 -1.57 1.58 1.17 -0.54 0.00 0.00 175.26 176.46 3hwx n LYS 210 N -3.44 2.09 -1.92 4.30 4.81 -1.26 -4.86 118.16 117.87 3hwx n LYS 210 Ca 0.09 0.75 -0.29 0.00 -0.87 0.00 0.00 58.31 58.00 3hwx n LYS 210 Cb 0.53 -2.52 -0.05 0.00 0.02 0.00 0.00 35.03 33.01 3hwx n LYS 210 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hwx s GLN 211 N 1.08 2.38 0.58 1.64 -1.52 -1.26 -4.83 119.66 117.72 3hwx s GLN 211 Ca 0.80 0.25 0.33 0.00 -1.95 0.00 0.00 55.36 54.79 3hwx s GLN 211 Cb -0.70 -4.78 1.76 0.00 -0.22 0.00 0.00 33.01 29.07 3hwx s GLN 211 CO 0.39 -3.36 2.17 0.00 -0.25 0.00 0.00 175.29 174.25 3hwx h ARG 212 N 13.34 0.00 -0.67 2.91 3.08 -2.01 -1.90 114.38 129.13 3hwx h ARG 212 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hwx h ARG 212 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3hwx h ARG 212 CO 1.18 0.05 0.00 -0.40 -1.07 0.00 0.00 179.97 179.73 3hwx n ASP 213 N -3.46 4.22 -0.05 7.04 5.75 -1.26 -4.63 116.55 124.16 3hwx n ASP 213 Ca -0.02 -2.56 0.02 0.00 -0.01 0.00 0.00 54.79 52.21 3hwx n ASP 213 Cb 0.18 -0.59 0.34 0.00 -1.03 0.00 0.00 41.12 40.01 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 2.99 0.63 -0.87 2.11 -0.00 -1.75 -3.09 115.95 115.96 3hwx h TRP 214 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.90 3hwx h TRP 214 Cb 1.44 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 30.35 3hwx h TRP 214 CO 0.73 0.46 0.57 0.74 -0.00 0.00 0.00 178.44 180.95 3hwx h PHE 215 N 0.64 1.08 -0.27 2.65 -1.00 -1.85 -0.87 116.94 117.32 3hwx h PHE 215 Ca 0.16 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 3hwx h PHE 215 Cb 0.07 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.25 3hwx h PHE 215 CO 0.00 0.65 0.13 0.35 -1.61 0.00 0.00 178.31 177.84 3hwx h PHE 216 N 1.14 0.40 -0.28 -0.55 3.57 -1.91 -3.15 116.94 116.15 3hwx h PHE 216 Ca 0.33 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 3hwx h PHE 216 Cb -0.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3hwx h PHE 216 CO -0.01 0.37 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.83 3hwx h TRP 217 N 0.31 0.51 0.00 0.41 4.06 -1.36 -3.11 115.95 116.76 3hwx h TRP 217 Ca 0.09 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3hwx h TRP 217 Cb 0.13 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 3hwx h TRP 217 CO -0.02 0.58 0.00 2.89 -3.56 0.00 0.00 178.44 178.34 3hwx n ARG 218 N -4.21 0.13 0.11 0.49 1.85 -0.40 -1.77 116.66 112.85 3hwx n ARG 218 Ca 0.00 0.20 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 3hwx n ARG 218 Cb 0.32 -1.68 0.32 0.00 -1.05 0.00 0.00 32.46 30.36 3hwx n ARG 218 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3hwx h GLN 219 N 0.00 0.00 -7.43 2.89 1.08 -1.59 -3.48 115.11 106.58 3hwx h GLN 219 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3hwx h GLN 219 Cb 0.51 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.01 3hwx h GLN 219 CO 0.00 0.00 0.40 0.15 -0.95 0.00 0.00 178.83 178.43 3hwx s LYS 220 N -3.13 3.04 -0.57 1.46 -0.14 -0.73 -4.94 119.74 114.71 3hwx s LYS 220 Ca 0.09 0.50 -0.27 0.00 -1.36 0.00 0.00 55.97 54.93 3hwx s LYS 220 Cb 0.12 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 3hwx s LYS 220 CO 0.64 -0.90 1.91 1.03 -0.76 0.00 0.00 175.35 177.26 3hwx s ARG 221 N -5.29 2.64 0.35 1.68 0.52 -1.26 -4.96 118.95 112.63 3hwx s ARG 221 Ca 0.57 0.76 0.09 0.00 -0.52 0.00 0.00 55.73 56.63 3hwx s ARG 221 Cb -0.11 -4.39 -0.06 0.00 0.52 0.00 0.00 34.95 30.91 3hwx s ARG 221 CO 0.52 -2.70 -0.02 0.20 0.02 0.00 0.00 175.30 173.32 3hwx s GLY 222 N 8.29 2.15 0.05 -3.53 0.00 -1.26 0.47 107.32 113.49 3hwx s GLY 222 Ca 0.71 -2.03 0.06 0.00 0.00 0.00 0.00 44.72 43.46 3hwx s GLY 222 CO 0.22 -1.96 -0.17 0.14 0.00 0.00 0.00 173.10 171.33 3hwx s VAL 223 N -2.56 1.40 -0.13 1.40 1.01 -0.79 -4.27 120.40 116.45 3hwx s VAL 223 Ca 0.34 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3hwx s VAL 223 Cb 0.02 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3hwx s VAL 223 CO 0.18 0.06 -0.11 -0.69 0.00 0.00 0.00 175.10 174.55 3hwx s VAL 224 N -0.89 3.23 -0.12 2.92 1.01 -0.65 -0.43 120.40 125.46 3hwx s VAL 224 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3hwx s VAL 224 Cb -0.09 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3hwx s VAL 224 CO 0.02 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 3hwx s VAL 225 N 0.33 2.66 -0.29 2.92 1.01 -0.34 -0.17 120.40 126.53 3hwx s VAL 225 Ca -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3hwx s VAL 225 Cb -0.15 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.21 3hwx s VAL 225 CO 0.05 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.65 3hwx s ALA 226 N 0.42 2.65 0.07 5.51 0.00 0.16 0.78 121.76 131.36 3hwx s ALA 226 Ca -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.76 3hwx s ALA 226 Cb -0.16 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3hwx s ALA 226 CO 0.06 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.81 3hwx n GLY 227 N 4.38 1.82 3.74 0.00 0.00 -0.84 0.26 105.19 114.54 3hwx n GLY 227 Ca -0.06 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 3.84 4.42 0.12 1.61 3.52 0.38 -3.04 118.95 129.80 3hwx s ARG 228 Ca 0.00 1.99 -0.25 0.00 -0.13 0.00 0.00 55.73 57.34 3hwx s ARG 228 Cb 0.00 -3.21 0.08 0.00 -1.56 0.00 0.00 34.95 30.26 3hwx s ARG 228 CO 0.00 -0.19 1.07 0.00 -0.81 0.00 0.00 175.30 175.36 3hwx s MET 229 N -0.16 1.04 0.69 5.12 0.23 -1.25 -3.48 119.30 121.49 3hwx s MET 229 Ca 0.55 -0.62 -0.11 0.00 -1.03 0.00 0.00 55.69 54.48 3hwx s MET 229 Cb -0.35 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.28 3hwx s MET 229 CO 0.38 -0.48 1.06 -1.54 -2.03 0.00 0.00 175.02 172.40 3hwx s SER 230 N -3.15 5.39 0.27 -1.18 1.04 -1.26 -4.80 113.70 110.01 3hwx s SER 230 Ca 0.17 1.65 -0.00 0.00 0.48 0.00 0.00 55.95 58.24 3hwx s SER 230 Cb -0.01 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.22 3hwx s SER 230 CO 0.02 -1.43 1.68 0.00 0.98 0.00 0.00 173.24 174.48 3hwx h ALA 231 N -0.60 1.19 -0.10 5.32 0.00 -1.89 -2.02 119.26 121.16 3hwx h ALA 231 Ca -0.44 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3hwx h ALA 231 Cb 1.21 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3hwx h ALA 231 CO 0.57 -0.37 -0.47 0.93 0.00 0.00 0.00 179.25 179.91 3hwx h GLU 232 N 0.30 0.26 -0.27 0.00 4.39 -1.92 -2.94 114.58 114.39 3hwx h GLU 232 Ca 0.50 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.89 3hwx h GLU 232 Cb 0.92 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3hwx h GLU 232 CO -0.55 0.68 -0.49 0.93 -1.16 0.00 0.00 179.01 178.42 3hwx h GLU 233 N 0.21 0.73 -0.23 2.33 5.08 -1.74 -2.96 114.58 118.01 3hwx h GLU 233 Ca 0.01 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3hwx h GLU 233 Cb 0.91 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 3hwx h GLU 233 CO 0.07 1.05 -0.28 0.78 -1.00 0.00 0.00 179.01 179.64 3hwx h GLY 234 N 0.90 -0.26 0.59 -3.84 0.00 -1.27 0.36 103.07 99.55 3hwx h GLY 234 Ca 0.03 0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.75 3hwx h GLY 234 CO 0.10 -0.21 0.00 0.50 0.00 0.00 0.00 176.54 176.94 3hwx h LYS 235 N -0.30 0.08 -0.57 4.80 1.57 -1.48 -0.92 116.57 119.76 3hwx h LYS 235 Ca 0.13 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3hwx h LYS 235 Cb 0.50 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3hwx h LYS 235 CO -0.39 0.05 0.27 0.87 -0.57 0.00 0.00 179.45 179.68 3hwx h LYS 236 N 0.08 0.82 -0.18 3.15 1.57 -1.21 -1.89 116.57 118.92 3hwx h LYS 236 Ca 0.13 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3hwx h LYS 236 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hwx h LYS 236 CO -0.21 0.67 -0.38 0.28 -0.57 0.00 0.00 179.45 179.24 3hwx h VAL 237 N 0.77 1.30 0.27 0.50 2.07 0.10 -2.07 116.25 119.19 3hwx h VAL 237 Ca 0.19 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3hwx h VAL 237 Cb 0.12 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3hwx h VAL 237 CO -0.02 0.46 -0.43 0.00 0.02 0.00 0.00 177.57 177.59 3hwx h ALA 238 N 1.27 -0.86 -0.87 1.67 0.00 -0.67 -1.74 119.26 118.07 3hwx h ALA 238 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hwx h ALA 238 Cb 0.81 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 3hwx h ALA 238 CO 0.07 -1.04 0.57 -0.07 0.00 0.00 0.00 179.25 178.78 3hwx h LEU 239 N -0.77 0.97 -0.26 0.00 3.38 -1.14 -2.25 115.31 115.24 3hwx h LEU 239 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3hwx h LEU 239 Cb 0.73 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hwx h LEU 239 CO -0.16 0.68 -0.33 -0.25 0.09 0.00 0.00 178.44 178.48 3hwx h TRP 240 N 1.13 0.83 -0.36 1.13 7.01 -1.22 -0.41 115.95 124.07 3hwx h TRP 240 Ca 0.33 -0.27 -0.08 0.00 2.11 0.00 0.00 58.89 60.98 3hwx h TRP 240 Cb -0.06 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 3hwx h TRP 240 CO -0.00 1.02 -0.10 0.00 -2.79 0.00 0.00 178.44 176.57 3hwx h ALA 241 N 0.67 0.49 0.10 2.65 0.00 -1.23 -2.67 119.26 119.28 3hwx h ALA 241 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hwx h ALA 241 Cb 0.91 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3hwx h ALA 241 CO 0.08 0.35 -0.28 0.37 0.00 0.00 0.00 179.25 179.77 3hwx h GLN 242 N 0.49 -0.47 -0.39 0.00 4.15 -1.31 -0.64 115.11 116.93 3hwx h GLN 242 Ca 0.09 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.60 3hwx h GLN 242 Cb 0.61 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.33 3hwx h GLN 242 CO 0.04 -0.31 -0.50 1.15 -1.93 0.00 0.00 178.83 177.28 3hwx h THR 243 N -0.49 0.05 0.00 2.39 2.02 -1.04 0.19 112.91 116.03 3hwx h THR 243 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3hwx h THR 243 Cb 0.53 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3hwx h THR 243 CO -0.18 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.89 3hwx n LEU 244 N -5.40 0.28 -1.11 2.58 4.77 -1.01 -2.61 117.00 114.50 3hwx n LEU 244 Ca -0.02 0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 56.47 3hwx n LEU 244 Cb 0.35 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3hwx n LEU 244 CO 0.03 -0.51 -0.05 0.61 -1.33 0.00 0.00 177.39 176.14 3hwx n GLY 245 N -0.56 0.14 3.90 -0.72 0.00 0.65 -4.25 105.19 104.35 3hwx n GLY 245 Ca 0.02 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3hwx n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hwx s TRP 246 N -2.59 3.55 0.07 1.61 0.51 -0.37 -2.64 118.94 119.09 3hwx s TRP 246 Ca 0.06 0.42 -0.30 0.00 -2.12 0.00 0.00 56.10 54.15 3hwx s TRP 246 Cb -0.03 -1.87 -0.06 0.00 -0.81 0.00 0.00 33.47 30.70 3hwx s TRP 246 CO 0.07 0.63 1.18 -1.25 -0.51 0.00 0.00 176.95 177.07 3hwx s PRO 247 N -1.93 4.46 -0.27 4.98 0.04 -1.26 -4.35 135.00 136.66 3hwx s PRO 247 Ca 0.28 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 3hwx s PRO 247 Cb -0.13 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3hwx s PRO 247 CO 0.18 -0.21 0.25 -1.17 0.04 0.00 0.00 177.00 176.10 3hwx s LEU 248 N 0.91 4.03 -0.26 -3.56 2.96 -1.26 -1.64 118.68 119.85 3hwx s LEU 248 Ca 0.57 0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.39 3hwx s LEU 248 Cb -0.29 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 3hwx s LEU 248 CO 0.30 -0.09 0.60 -0.63 -1.32 0.00 0.00 176.35 175.21 3hwx s ILE 249 N 1.84 5.00 -0.11 6.68 1.01 0.77 -4.32 121.20 132.07 3hwx s ILE 249 Ca 0.10 1.05 0.03 0.00 0.00 0.00 0.00 60.65 61.82 3hwx s ILE 249 Cb -0.16 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 3hwx s ILE 249 CO 0.10 0.03 -0.21 -0.83 0.00 0.00 0.00 174.94 174.04 3hwx s GLY 250 N 1.50 1.39 0.49 6.18 0.00 -1.26 -0.66 107.32 114.96 3hwx s GLY 250 Ca 0.25 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 3hwx s GLY 250 CO 0.09 -0.27 0.86 -0.35 0.00 0.00 0.00 173.10 173.43 3hwx s ASP 251 N 0.37 6.40 0.33 1.64 2.15 0.14 -4.87 116.67 122.83 3hwx s ASP 251 Ca -0.16 1.20 0.11 0.00 0.43 0.00 0.00 52.55 54.13 3hwx s ASP 251 Cb -0.17 -2.36 0.97 0.00 -0.30 0.00 0.00 42.92 41.06 3hwx s ASP 251 CO 0.07 -0.58 1.67 -0.37 -0.17 0.00 0.00 175.17 175.80 3hwx h VAL 252 N 0.52 0.34 0.00 1.11 -1.51 -1.87 -1.88 116.25 112.95 3hwx h VAL 252 Ca -0.46 -0.12 -0.07 0.00 -1.23 0.00 0.00 66.70 64.82 3hwx h VAL 252 Cb 1.19 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 3hwx h VAL 252 CO 0.62 0.06 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.64 3hwx h LEU 253 N 0.34 0.00 -0.21 4.19 4.07 -1.89 -3.34 115.31 118.47 3hwx h LEU 253 Ca 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.60 3hwx h LEU 253 Cb 1.48 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 3hwx h LEU 253 CO -0.59 0.32 -0.02 0.77 -1.08 0.00 0.00 178.44 177.83 3hwx h SER 254 N 0.00 0.39 -1.52 -0.43 4.64 -1.25 -3.34 113.55 112.04 3hwx h SER 254 Ca -0.00 -0.34 -0.16 0.00 -0.47 0.00 0.00 61.79 60.82 3hwx h SER 254 Cb 1.01 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3hwx h SER 254 CO 0.04 0.64 -0.22 0.00 -0.87 0.00 0.00 176.83 176.42 3hwx n GLN 255 N -4.64 -1.17 0.00 4.77 6.02 -1.25 -3.91 117.38 117.19 3hwx n GLN 255 Ca -0.04 0.37 0.14 0.00 -0.01 0.00 0.00 57.00 57.46 3hwx n GLN 255 Cb 0.26 -4.22 0.50 0.00 1.02 0.00 0.00 30.24 27.80 3hwx n GLN 255 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hwx n THR 256 N -3.89 0.00 0.00 5.09 -2.24 -1.26 -0.12 114.28 111.86 3hwx n THR 256 Ca -0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3hwx n THR 256 Cb 0.56 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3hwx n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 257 N 1.22 2.44 3.71 3.38 0.00 -1.25 -4.52 105.19 110.17 3hwx n GLY 257 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3hwx n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 258 N -2.00 -1.61 0.32 1.61 6.02 -1.26 -4.48 117.38 115.99 3hwx n GLN 258 Ca 0.00 0.91 0.21 0.00 -0.01 0.00 0.00 57.00 58.11 3hwx n GLN 258 Cb 0.00 -2.41 1.11 0.00 1.02 0.00 0.00 30.24 29.96 3hwx n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3hwx h PRO 259 N 0.17 0.00 -2.29 -1.09 0.13 -1.84 -2.90 132.00 124.19 3hwx h PRO 259 Ca -0.60 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 63.90 3hwx h PRO 259 Cb 1.38 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.12 3hwx h PRO 259 CO 0.34 0.01 -0.35 1.28 -0.23 0.00 0.00 178.00 179.05 3hwx n LEU 260 N -3.20 4.84 -4.59 1.56 4.77 -1.26 -5.01 117.00 114.11 3hwx n LEU 260 Ca -0.03 -5.59 -0.30 0.00 -0.03 0.00 0.00 56.01 50.07 3hwx n LEU 260 Cb 0.11 -0.69 0.21 0.00 -2.33 0.00 0.00 43.42 40.71 3hwx n LEU 260 CO 0.22 2.24 0.60 -2.16 -1.33 0.00 0.00 177.39 176.97 3hwx s PRO 261 N -3.40 0.10 -1.58 3.23 0.04 -1.10 -3.68 135.00 128.61 3hwx s PRO 261 Ca 0.45 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 3hwx s PRO 261 Cb 0.24 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 33.13 3hwx s PRO 261 CO -0.11 -3.16 0.02 0.00 0.04 0.00 0.00 177.00 173.79 3hwx n ALA 263 N -1.95 0.52 0.28 0.00 0.00 -1.24 -0.85 120.51 117.27 3hwx n ALA 263 Ca -0.22 0.88 0.12 0.00 0.00 0.00 0.00 53.44 54.23 3hwx n ALA 263 Cb 0.66 -0.69 0.80 0.00 0.00 0.00 0.00 19.45 20.22 3hwx n ALA 263 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3hwx h ASP 264 N 0.00 0.00 0.00 0.00 3.58 -1.81 0.89 116.42 119.08 3hwx h ASP 264 Ca 0.55 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.81 3hwx h ASP 264 Cb 1.22 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 3hwx h ASP 264 CO -0.75 0.03 -1.23 0.18 -2.88 0.00 0.00 179.24 174.60 3hwx n LEU 265 N -4.00 1.86 0.26 2.28 4.77 -0.03 -4.49 117.00 117.65 3hwx n LEU 265 Ca -0.03 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 3hwx n LEU 265 Cb 0.12 -0.91 0.72 0.00 -2.33 0.00 0.00 43.42 41.02 3hwx n LEU 265 CO 0.30 0.09 0.97 4.11 -1.33 0.00 0.00 177.39 181.53 3hwx h TRP 266 N -1.00 0.00 0.00 -1.77 5.08 -0.97 -2.93 115.95 114.35 3hwx h TRP 266 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 3hwx h TRP 266 Cb 1.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3hwx h TRP 266 CO -0.04 0.12 0.00 -0.07 -1.28 0.00 0.00 178.44 177.17 3hwx h LEU 267 N 0.00 0.00 -3.92 0.11 3.38 -1.05 -2.04 115.31 111.79 3hwx h LEU 267 Ca -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3hwx h LEU 267 Cb 0.38 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.86 3hwx h LEU 267 CO 0.02 0.00 0.54 0.61 0.09 0.00 0.00 178.44 179.70 3hwx n GLY 268 N -0.16 4.33 3.43 0.83 0.00 -1.11 -4.56 105.19 107.95 3hwx n GLY 268 Ca 0.00 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 3hwx n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwx s ASN 269 N -1.29 4.73 0.22 1.61 3.84 -0.77 -4.46 114.94 118.82 3hwx s ASN 269 Ca 0.56 -0.23 -0.14 0.00 0.21 0.00 0.00 52.86 53.26 3hwx s ASN 269 Cb 0.47 -1.80 0.26 0.00 -0.55 0.00 0.00 41.25 39.62 3hwx s ASN 269 CO 0.11 0.06 1.60 0.00 -2.79 0.00 0.00 177.10 176.08 3hwx h ALA 270 N 7.52 0.34 -0.98 1.71 0.00 -1.88 0.18 119.26 126.15 3hwx h ALA 270 Ca -0.36 0.26 0.38 0.00 0.00 0.00 0.00 54.91 55.19 3hwx h ALA 270 Cb 1.18 0.65 -0.18 0.00 0.00 0.00 0.00 17.79 19.44 3hwx h ALA 270 CO 0.61 -0.49 0.42 1.63 0.00 0.00 0.00 179.25 181.42 3hwx n LYS 271 N -5.48 -0.06 0.21 0.00 5.02 -1.26 0.26 118.16 116.85 3hwx n LYS 271 Ca 0.09 1.38 -0.09 0.00 -2.02 0.00 0.00 58.31 57.66 3hwx n LYS 271 Cb 0.38 -2.41 -0.04 0.00 -0.02 0.00 0.00 35.03 32.93 3hwx n LYS 271 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hwx h ALA 272 N 1.96 -0.63 0.00 7.82 0.00 -0.92 -3.02 119.26 124.47 3hwx h ALA 272 Ca 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3hwx h ALA 272 Cb 2.01 0.23 0.00 0.00 0.00 0.00 0.00 17.79 20.03 3hwx h ALA 272 CO -0.79 -0.59 0.00 0.25 0.00 0.00 0.00 179.25 178.12 3hwx n THR 273 N -4.97 1.53 0.07 0.00 -2.24 0.75 -0.15 114.28 109.28 3hwx n THR 273 Ca -0.07 0.38 -0.20 0.00 -2.27 0.00 0.00 64.05 61.89 3hwx n THR 273 Cb 0.23 -1.36 -0.15 0.00 -2.10 0.00 0.00 70.33 66.96 3hwx n THR 273 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hwx h SER 274 N 0.00 0.50 -0.30 3.42 0.02 -0.21 -3.11 113.55 113.86 3hwx h SER 274 Ca 0.00 -0.71 -0.15 0.00 -0.84 0.00 0.00 61.79 60.09 3hwx h SER 274 Cb 0.02 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3hwx h SER 274 CO 0.00 1.60 -0.39 -0.08 -1.14 0.00 0.00 176.83 176.82 3hwx h GLU 275 N 0.09 0.79 0.00 3.45 4.81 -0.41 -3.15 114.58 120.15 3hwx h GLU 275 Ca -0.29 -0.45 -0.08 0.00 -0.13 0.00 0.00 59.36 58.41 3hwx h GLU 275 Cb 2.06 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.46 3hwx h GLU 275 CO 0.17 1.08 -0.37 -0.07 -0.73 0.00 0.00 179.01 179.09 3hwx h LEU 276 N 0.55 0.00 -2.06 1.64 3.38 -1.48 -1.65 115.31 115.69 3hwx h LEU 276 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hwx h LEU 276 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hwx h LEU 276 CO 0.09 0.37 0.20 1.56 0.09 0.00 0.00 178.44 180.75 3hwx h GLN 277 N 0.00 0.00 0.00 1.13 4.20 -1.50 -1.81 115.11 117.14 3hwx h GLN 277 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hwx h GLN 277 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3hwx h GLN 277 CO 0.05 0.00 -0.92 1.96 -0.67 0.00 0.00 178.83 179.25 3hwx h GLN 278 N 0.00 0.00 -6.47 1.46 4.20 -1.43 -3.46 115.11 109.40 3hwx h GLN 278 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 3hwx h GLN 278 Cb 0.39 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.25 3hwx h GLN 278 CO 0.00 0.00 0.56 0.00 -0.67 0.00 0.00 178.83 178.72 3hwx n ALA 279 N -2.13 0.50 0.04 3.87 0.00 -0.68 -4.80 120.51 117.30 3hwx n ALA 279 Ca 0.01 0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.97 3hwx n ALA 279 Cb 0.54 -2.21 -0.12 0.00 0.00 0.00 0.00 19.45 17.65 3hwx n ALA 279 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hwx n GLN 280 N 2.34 0.57 -4.15 0.00 6.02 0.18 -4.61 117.38 117.72 3hwx n GLN 280 Ca 0.14 -0.13 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 3hwx n GLN 280 Cb 0.28 -1.36 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 3hwx n GLN 280 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3hwx s ILE 281 N -3.04 0.42 -0.12 5.09 2.07 -1.21 0.64 121.20 125.06 3hwx s ILE 281 Ca -0.05 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.03 3hwx s ILE 281 Cb 0.10 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.32 3hwx s ILE 281 CO 0.64 0.13 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.89 3hwx s VAL 282 N 0.07 2.10 -0.30 4.00 1.01 -1.01 -1.89 120.40 124.38 3hwx s VAL 282 Ca -0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 3hwx s VAL 282 Cb -0.04 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.58 3hwx s VAL 282 CO -0.00 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 3hwx s VAL 283 N 0.58 2.76 -0.18 2.92 1.01 0.43 -0.77 120.40 127.14 3hwx s VAL 283 Ca -0.13 -1.57 -0.09 0.00 0.00 0.00 0.00 61.98 60.20 3hwx s VAL 283 Cb -0.17 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3hwx s VAL 283 CO 0.03 -0.17 0.11 -1.58 0.00 0.00 0.00 175.10 173.50 3hwx s GLN 284 N 1.18 4.02 -0.10 2.72 0.74 0.30 -1.19 119.66 127.32 3hwx s GLN 284 Ca -0.04 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.15 3hwx s GLN 284 Cb -0.20 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.60 3hwx s GLN 284 CO -0.03 0.36 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.39 3hwx s LEU 285 N 0.16 1.85 0.00 3.68 1.02 0.23 -0.74 118.68 124.88 3hwx s LEU 285 Ca 0.08 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.77 3hwx s LEU 285 Cb -0.11 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.93 3hwx s LEU 285 CO -0.01 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.03 3hwx n GLY 286 N 3.97 -2.19 0.00 -3.19 0.00 0.22 -1.98 105.19 102.02 3hwx n GLY 286 Ca -0.20 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.31 0.00 -3.10 1.61 3.41 -1.23 -4.49 113.62 110.13 3hwx n SER 287 Ca 0.00 -0.23 -0.15 0.00 -0.26 0.00 0.00 58.87 58.23 3hwx n SER 287 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.30 -2.08 -4.65 4.04 7.64 -1.26 -0.47 113.62 116.54 3hwx n SER 288 Ca 0.00 -0.54 -0.44 0.00 1.01 0.00 0.00 58.87 58.91 3hwx n SER 288 Cb 0.00 -4.51 -0.01 0.00 -1.01 0.00 0.00 64.21 58.68 3hwx n SER 288 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hwx n LEU 289 N -3.70 2.82 0.00 -3.43 4.32 -1.26 -4.76 117.00 110.99 3hwx n LEU 289 Ca -0.25 1.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 3hwx n LEU 289 Cb 0.65 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 3hwx n LEU 289 CO 0.53 -0.84 0.00 0.41 -1.22 0.00 0.00 177.39 176.27 3hwx n THR 290 N 0.46 0.00 -1.22 -5.08 -1.04 -1.26 -4.92 114.28 101.22 3hwx n THR 290 Ca 0.07 0.16 -0.37 0.00 -2.04 0.00 0.00 64.05 61.88 3hwx n THR 290 Cb 0.34 -0.91 0.05 0.00 -1.82 0.00 0.00 70.33 67.99 3hwx n THR 290 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hwx n GLY 291 N 2.23 -2.40 0.10 3.41 0.00 -1.26 -4.84 105.19 102.44 3hwx n GLY 291 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 3hwx n GLY 291 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hwx h LYS 292 N -0.36 0.26 -0.54 1.61 3.64 -1.95 -2.38 116.57 116.85 3hwx h LYS 292 Ca -0.44 -0.44 -0.11 0.00 -1.27 0.00 0.00 60.65 58.39 3hwx h LYS 292 Cb 1.37 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 3hwx h LYS 292 CO 0.40 1.19 -0.09 0.00 -2.27 0.00 0.00 179.45 178.68 3hwx h ARG 293 N 0.07 1.01 0.29 1.90 -0.00 -1.91 -2.25 114.38 113.49 3hwx h ARG 293 Ca -0.15 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.98 58.96 3hwx h ARG 293 Cb 1.97 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.87 3hwx h ARG 293 CO 0.19 1.04 -0.14 1.25 0.00 0.00 0.00 179.97 182.32 3hwx h LEU 294 N 0.90 -0.33 -1.82 3.04 5.85 -1.88 -1.39 115.31 119.68 3hwx h LEU 294 Ca 0.14 -0.15 0.27 0.00 0.84 0.00 0.00 57.88 58.99 3hwx h LEU 294 Cb 0.65 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3hwx h LEU 294 CO 0.04 -0.03 0.69 -0.07 -0.34 0.00 0.00 178.44 178.73 3hwx h LEU 295 N -0.66 0.13 0.06 2.25 3.38 -1.37 0.31 115.31 119.42 3hwx h LEU 295 Ca -0.04 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3hwx h LEU 295 Cb 0.46 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hwx h LEU 295 CO 0.07 0.04 -0.64 1.56 0.09 0.00 0.00 178.44 179.55 3hwx h GLN 296 N 0.13 0.13 -0.41 1.13 4.20 -1.24 -1.15 115.11 117.88 3hwx h GLN 296 Ca 0.49 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 59.06 3hwx h GLN 296 Cb 1.71 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 29.51 3hwx h GLN 296 CO -0.08 1.10 -0.00 2.35 -0.67 0.00 0.00 178.83 181.53 3hwx h TRP 297 N -0.70 -0.03 -0.72 2.96 7.01 -0.84 -0.86 115.95 122.78 3hwx h TRP 297 Ca -0.14 0.03 0.18 0.00 2.11 0.00 0.00 58.89 61.07 3hwx h TRP 297 Cb 1.36 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.45 3hwx h TRP 297 CO 0.21 -0.08 0.50 0.37 -2.79 0.00 0.00 178.44 176.64 3hwx h GLN 298 N 0.11 0.18 0.22 2.65 -0.00 -0.88 0.54 115.11 117.92 3hwx h GLN 298 Ca 0.20 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.65 58.50 3hwx h GLN 298 Cb 0.29 -0.04 0.03 0.00 0.00 0.00 0.00 27.48 27.76 3hwx h GLN 298 CO -0.34 0.12 -1.61 0.00 0.00 0.00 0.00 178.83 176.99 3hwx h ALA 299 N 1.66 -0.02 0.00 3.38 0.00 0.10 -3.36 119.26 121.03 3hwx h ALA 299 Ca 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hwx h ALA 299 Cb 1.11 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hwx h ALA 299 CO -0.06 0.85 -1.20 -1.13 0.00 0.00 0.00 179.25 177.71 3hwx n SER 300 N -3.66 0.60 -4.76 0.00 3.41 -0.53 -4.90 113.62 103.78 3hwx n SER 300 Ca -0.21 0.10 -0.37 0.00 -0.26 0.00 0.00 58.87 58.14 3hwx n SER 300 Cb 1.09 0.85 0.02 0.00 -0.26 0.00 0.00 64.21 65.92 3hwx n SER 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx s GLU 302 N -2.99 0.89 0.93 0.00 2.12 -1.26 -4.98 118.70 113.41 3hwx s GLU 302 Ca 0.71 -1.98 -0.13 0.00 0.36 0.00 0.00 54.97 53.93 3hwx s GLU 302 Cb -0.33 -1.31 0.15 0.00 0.26 0.00 0.00 34.13 32.89 3hwx s GLU 302 CO 0.39 -1.37 1.14 -1.25 -0.54 0.00 0.00 175.26 173.62 3hwx s PRO 303 N 0.19 0.98 0.10 4.30 0.04 -1.26 -4.98 135.00 134.37 3hwx s PRO 303 Ca 0.32 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 3hwx s PRO 303 Cb 0.02 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 3hwx s PRO 303 CO -0.18 -2.31 1.73 0.93 0.04 0.00 0.00 177.00 177.22 3hwx h GLU 304 N -1.58 0.00 -5.40 4.56 5.08 -0.08 -3.45 114.58 113.72 3hwx h GLU 304 Ca -0.51 -0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.37 3hwx h GLU 304 Cb 1.33 -0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.30 3hwx h GLU 304 CO 0.60 0.00 -0.81 -1.21 -1.00 0.00 0.00 179.01 176.59 3hwx s GLU 305 N -6.19 1.13 -0.15 2.33 2.02 -1.01 -4.80 118.70 112.02 3hwx s GLU 305 Ca -0.13 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.25 3hwx s GLU 305 Cb 0.07 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.19 3hwx s GLU 305 CO 0.67 0.30 -0.19 -0.47 0.02 0.00 0.00 175.26 175.59 3hwx s TYR 306 N -0.52 2.73 -0.09 1.61 6.14 -0.33 -2.40 117.35 124.49 3hwx s TYR 306 Ca 0.05 -1.24 0.04 0.00 0.64 0.00 0.00 57.07 56.56 3hwx s TYR 306 Cb -0.06 -1.86 -0.00 0.00 0.42 0.00 0.00 41.96 40.45 3hwx s TYR 306 CO 0.00 -0.57 -0.24 -1.58 0.64 0.00 0.00 175.55 173.80 3hwx s TRP 307 N 0.87 2.54 -0.19 4.97 0.52 0.05 -0.90 118.94 126.79 3hwx s TRP 307 Ca -0.05 -1.01 -0.02 0.00 0.02 0.00 0.00 56.10 55.04 3hwx s TRP 307 Cb -0.15 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.47 3hwx s TRP 307 CO -0.02 -0.40 -0.10 0.42 0.02 0.00 0.00 176.95 176.88 3hwx s ILE 308 N 0.28 3.03 -0.17 2.03 1.01 -1.11 -0.54 121.20 125.74 3hwx s ILE 308 Ca -0.17 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 3hwx s ILE 308 Cb -0.17 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3hwx s ILE 308 CO 0.08 0.47 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 3hwx s VAL 309 N 1.13 3.36 0.29 2.92 1.01 0.08 -0.64 120.40 128.55 3hwx s VAL 309 Ca 0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3hwx s VAL 309 Cb -0.14 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3hwx s VAL 309 CO -0.03 0.48 0.66 -0.62 0.00 0.00 0.00 175.10 175.59 3hwx s ASP 310 N 0.78 -0.13 0.00 3.32 -1.08 -0.86 0.71 116.67 119.40 3hwx s ASP 310 Ca -0.03 -0.80 0.23 0.00 -0.52 0.00 0.00 52.55 51.43 3hwx s ASP 310 Cb -0.15 0.71 0.66 0.00 -1.46 0.00 0.00 42.92 42.68 3hwx s ASP 310 CO 0.02 -1.34 1.51 -0.67 0.52 0.00 0.00 175.17 175.20 3hwx n ASP 311 N -0.61 2.22 -4.66 -0.34 -0.08 -1.20 -0.82 116.55 111.07 3hwx n ASP 311 Ca -0.04 -1.77 -0.26 0.00 -1.51 0.00 0.00 54.79 51.21 3hwx n ASP 311 Cb 0.60 -0.11 -0.08 0.00 2.34 0.00 0.00 41.12 43.88 3hwx n ASP 311 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3hwx s ILE 312 N -1.79 3.66 0.89 5.18 2.07 -1.26 -4.84 121.20 125.12 3hwx s ILE 312 Ca 0.34 -1.49 -0.14 0.00 -1.41 0.00 0.00 60.65 57.95 3hwx s ILE 312 Cb 0.20 -2.85 0.14 0.00 0.13 0.00 0.00 42.46 40.07 3hwx s ILE 312 CO 0.29 -0.14 1.25 -1.61 -1.91 0.00 0.00 174.94 172.82 3hwx s GLU 313 N -3.02 1.28 0.00 3.50 2.02 -1.26 -4.85 118.70 116.36 3hwx s GLU 313 Ca 0.28 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.13 3hwx s GLU 313 Cb -0.09 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.25 3hwx s GLU 313 CO 0.19 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 173.85 3hwx n GLY 314 N -3.50 0.59 3.77 -1.39 0.00 -1.26 -4.92 105.19 98.47 3hwx n GLY 314 Ca 0.12 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.58 4.43 0.00 1.61 0.52 -1.26 -4.94 118.95 116.73 3hwx s ARG 315 Ca 0.00 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 3hwx s ARG 315 Cb 0.00 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.40 3hwx s ARG 315 CO 0.00 -0.05 0.69 1.28 0.02 0.00 0.00 175.30 177.23 3hwx n LEU 316 N 0.86 1.02 -4.20 2.53 4.77 -1.26 -4.95 117.00 115.76 3hwx n LEU 316 Ca 0.00 -1.02 -0.39 0.00 -0.03 0.00 0.00 56.01 54.57 3hwx n LEU 316 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3hwx n LEU 316 CO 0.56 0.25 -0.09 -0.62 -1.33 0.00 0.00 177.39 176.17 3hwx s ASP 317 N -0.46 5.55 0.00 -1.43 2.15 -1.26 -4.88 116.67 116.34 3hwx s ASP 317 Ca 0.00 -1.86 0.00 0.00 0.43 0.00 0.00 52.55 51.12 3hwx s ASP 317 Cb 0.00 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 3hwx s ASP 317 CO 0.00 -0.61 0.32 -0.81 -0.17 0.00 0.00 175.17 173.90 3hwx n PRO 318 N 4.81 0.43 0.00 4.34 -0.04 -1.26 -2.44 135.00 140.84 3hwx n PRO 318 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3hwx n PRO 318 Cb 0.41 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 3hwx n PRO 318 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwx n ALA 319 N -0.10 1.22 -3.27 0.55 0.00 -1.26 -5.06 120.51 112.58 3hwx n ALA 319 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3hwx n ALA 319 Cb 0.05 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.56 3hwx n ALA 319 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hwx n HIS 320 N -0.42 -2.29 -0.88 0.00 8.25 -1.02 -4.99 115.22 113.86 3hwx n HIS 320 Ca 0.00 0.74 -0.33 0.00 -0.26 0.00 0.00 57.72 57.87 3hwx n HIS 320 Cb 0.03 -4.50 0.12 0.00 1.12 0.00 0.00 29.99 26.76 3hwx n HIS 320 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hwx n HIS 321 N -4.64 -0.50 -2.72 4.41 8.25 -1.26 -4.96 115.22 113.79 3hwx n HIS 321 Ca -0.04 0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 57.31 3hwx n HIS 321 Cb 0.58 -1.89 -0.03 0.00 1.12 0.00 0.00 29.99 29.77 3hwx n HIS 321 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hwx s ARG 322 N -3.78 4.55 0.00 -0.41 3.52 -1.26 -4.90 118.95 116.67 3hwx s ARG 322 Ca 0.62 1.40 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 3hwx s ARG 322 Cb -0.25 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 3hwx s ARG 322 CO 0.62 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 3hwx n GLY 323 N 2.91 -0.79 3.29 8.12 0.00 -1.26 -1.19 105.19 116.28 3hwx n GLY 323 Ca 0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.70 1.13 -0.22 1.61 0.52 -0.08 -4.89 118.95 116.32 3hwx s ARG 324 Ca 0.00 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 3hwx s ARG 324 Cb 0.00 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 34.15 3hwx s ARG 324 CO 0.00 0.31 -0.12 0.50 0.02 0.00 0.00 175.30 176.01 3hwx s ARG 325 N -2.01 2.25 -0.24 3.54 6.06 -1.26 -2.73 118.95 124.56 3hwx s ARG 325 Ca 0.07 -1.04 -0.03 0.00 -2.50 0.00 0.00 55.73 52.23 3hwx s ARG 325 Cb -0.09 -2.63 0.01 0.00 0.06 0.00 0.00 34.95 32.29 3hwx s ARG 325 CO 0.04 -0.45 -0.04 -0.51 -2.50 0.00 0.00 175.30 171.84 3hwx s LEU 326 N 1.27 3.12 -0.42 -0.88 1.43 0.19 -5.01 118.68 118.37 3hwx s LEU 326 Ca -0.03 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 3hwx s LEU 326 Cb -0.17 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3hwx s LEU 326 CO -0.08 -0.09 0.45 -0.63 0.23 0.00 0.00 176.35 176.23 3hwx s ILE 327 N 1.41 5.08 -0.23 -0.59 1.09 -1.26 -2.03 121.20 124.67 3hwx s ILE 327 Ca 0.03 -0.30 -0.27 0.00 -1.10 0.00 0.00 60.65 59.01 3hwx s ILE 327 Cb -0.16 -4.04 0.12 0.00 -1.06 0.00 0.00 42.46 37.33 3hwx s ILE 327 CO -0.03 -0.42 1.02 0.00 -0.10 0.00 0.00 174.94 175.41 3hwx s ALA 328 N 2.17 -1.96 0.23 9.38 0.00 -0.00 -2.33 121.76 129.25 3hwx s ALA 328 Ca 0.13 1.74 -0.31 0.00 0.00 0.00 0.00 51.96 53.52 3hwx s ALA 328 Cb -0.17 -1.12 -0.14 0.00 0.00 0.00 0.00 23.12 21.69 3hwx s ALA 328 CO 0.14 -0.27 1.22 -1.71 0.00 0.00 0.00 175.76 175.14 3hwx n ASN 329 N 1.56 1.87 -0.01 0.00 2.85 -1.26 -3.21 115.26 117.06 3hwx n ASN 329 Ca -0.12 1.15 -0.12 0.00 -0.11 0.00 0.00 54.58 55.38 3hwx n ASN 329 Cb 0.57 -1.31 -0.08 0.00 1.24 0.00 0.00 39.78 40.20 3hwx n ASN 329 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3hwx h ILE 330 N 2.65 1.22 -0.72 -1.44 2.04 -1.93 -1.61 117.51 117.72 3hwx h ILE 330 Ca -0.43 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3hwx h ILE 330 Cb 1.32 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 3hwx h ILE 330 CO 0.70 0.18 0.44 0.00 0.00 0.00 0.00 178.15 179.46 3hwx h ALA 331 N 0.76 0.95 -0.38 1.87 0.00 -1.94 -1.54 119.26 118.97 3hwx h ALA 331 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hwx h ALA 331 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hwx h ALA 331 CO 0.00 0.18 0.16 -0.44 0.00 0.00 0.00 179.25 179.15 3hwx h ASP 332 N 0.83 0.53 -0.84 0.00 5.19 -1.92 -2.45 116.42 117.76 3hwx h ASP 332 Ca 0.30 -0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.58 3hwx h ASP 332 Cb 0.09 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.41 3hwx h ASP 332 CO -0.14 0.54 0.56 -0.25 -3.12 0.00 0.00 179.24 176.83 3hwx h TRP 333 N 0.48 1.02 -0.99 4.55 7.01 -0.96 0.14 115.95 127.19 3hwx h TRP 333 Ca 0.13 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.19 3hwx h TRP 333 Cb 0.18 -0.34 -0.06 0.00 -2.10 0.00 0.00 29.16 26.84 3hwx h TRP 333 CO -0.00 0.61 0.65 -0.07 -2.79 0.00 0.00 178.44 176.84 3hwx h LEU 334 N 1.07 1.09 -0.17 0.65 3.38 -0.85 0.82 115.31 121.30 3hwx h LEU 334 Ca 0.33 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.07 3hwx h LEU 334 Cb -0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3hwx h LEU 334 CO -0.09 0.74 -0.96 -0.33 0.09 0.00 0.00 178.44 177.89 3hwx h GLU 335 N 1.26 0.27 -0.44 1.13 5.08 -0.89 -2.81 114.58 118.18 3hwx h GLU 335 Ca 0.40 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3hwx h GLU 335 Cb 0.00 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hwx h GLU 335 CO -0.12 1.05 -0.17 1.25 -1.00 0.00 0.00 179.01 180.01 3hwx h LEU 336 N 0.14 0.92 -7.18 1.33 5.85 -0.58 -3.35 115.31 112.44 3hwx h LEU 336 Ca -0.07 -0.39 -0.66 0.00 0.84 0.00 0.00 57.88 57.60 3hwx h LEU 336 Cb 1.61 -0.25 -0.39 0.00 0.37 0.00 0.00 40.66 42.00 3hwx h LEU 336 CO 0.15 1.10 -0.34 1.41 -0.34 0.00 0.00 178.44 180.43 3hwx n HIS 337 N -4.21 3.73 -0.49 1.25 8.25 0.26 -4.98 115.22 119.04 3hwx n HIS 337 Ca -0.01 -4.23 -0.30 0.00 -0.26 0.00 0.00 57.72 52.93 3hwx n HIS 337 Cb 0.42 -0.87 0.27 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.46 -2.12 -0.14 -0.41 0.04 -1.07 -4.70 135.00 125.15 3hwx s PRO 338 Ca 0.26 0.36 -0.04 0.00 0.04 0.00 0.00 61.00 61.63 3hwx s PRO 338 Cb -0.05 -1.45 -0.03 0.00 0.04 0.00 0.00 34.50 33.00 3hwx s PRO 338 CO -0.15 -4.40 -0.01 0.00 0.04 0.00 0.00 177.00 172.49 3hwx s ALA 339 N -2.40 3.16 -0.20 8.56 0.00 -1.26 -5.08 121.76 124.54 3hwx s ALA 339 Ca 0.69 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 3hwx s ALA 339 Cb -0.17 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 3hwx s ALA 339 CO 0.60 0.33 -0.01 -2.00 0.00 0.00 0.00 175.76 174.68 3hwx s GLU 340 N -0.05 3.55 -0.01 0.00 2.56 -1.26 -4.93 118.70 118.55 3hwx s GLU 340 Ca 0.03 -0.55 -0.38 0.00 0.00 0.00 0.00 54.97 54.07 3hwx s GLU 340 Cb -0.13 -3.05 -0.16 0.00 2.00 0.00 0.00 34.13 32.79 3hwx s GLU 340 CO 0.02 -0.04 1.45 1.63 -0.56 0.00 0.00 175.26 177.76 3hwx n LYS 341 N 4.37 1.14 -3.84 4.30 5.02 -1.26 -4.26 118.16 123.63 3hwx n LYS 341 Ca -0.17 0.41 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 3hwx n LYS 341 Cb 0.52 -2.07 -0.09 0.00 -0.02 0.00 0.00 35.03 33.37 3hwx n LYS 341 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3hwx s ARG 342 N 1.30 0.59 0.10 1.97 3.52 -1.07 -4.98 118.95 120.37 3hwx s ARG 342 Ca 0.88 -0.44 -0.35 0.00 -0.13 0.00 0.00 55.73 55.70 3hwx s ARG 342 Cb -0.99 0.25 -0.14 0.00 -1.56 0.00 0.00 34.95 32.51 3hwx s ARG 342 CO 0.52 -0.16 1.59 0.94 -0.81 0.00 0.00 175.30 177.38 3hwx n GLN 343 N 1.16 1.96 -1.73 5.12 -0.06 -1.26 -3.86 117.38 118.71 3hwx n GLN 343 Ca -0.21 0.71 -0.42 0.00 -2.00 0.00 0.00 57.00 55.08 3hwx n GLN 343 Cb 0.57 -2.47 -0.03 0.00 -4.06 0.00 0.00 30.24 24.25 3hwx n GLN 343 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3hwx s PRO 344 N 1.41 4.14 0.24 3.69 0.04 -1.26 -4.78 135.00 138.48 3hwx s PRO 344 Ca 0.82 2.58 0.24 0.00 0.04 0.00 0.00 61.00 64.68 3hwx s PRO 344 Cb -0.74 -3.54 0.33 0.00 0.04 0.00 0.00 34.50 30.59 3hwx s PRO 344 CO 0.42 -0.83 1.39 0.11 0.04 0.00 0.00 177.00 178.14 3hwx h TRP 345 N 8.38 0.00 -3.54 0.56 5.08 -1.85 -3.44 115.95 121.15 3hwx h TRP 345 Ca -0.45 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 58.99 3hwx h TRP 345 Cb 1.21 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.35 3hwx h TRP 345 CO 0.77 0.00 0.26 0.00 -1.28 0.00 0.00 178.44 178.20 3hwx n VAL 347 N 2.41 0.04 0.11 0.00 0.31 -1.26 -4.83 118.33 115.11 3hwx n VAL 347 Ca -0.01 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 3hwx n VAL 347 Cb 0.49 -0.77 -0.14 0.00 -0.91 0.00 0.00 33.84 32.51 3hwx n VAL 347 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hwx h GLU 348 N -0.01 0.58 -0.55 5.55 5.08 -1.95 -3.34 114.58 119.93 3hwx h GLU 348 Ca -0.02 -0.84 0.09 0.00 -1.00 0.00 0.00 59.36 57.59 3hwx h GLU 348 Cb 1.02 0.29 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 3hwx h GLU 348 CO -0.00 1.39 0.18 0.82 -1.00 0.00 0.00 179.01 180.39 3hwx h ILE 349 N 0.23 0.77 -0.81 3.13 2.04 -1.89 -1.13 117.51 119.84 3hwx h ILE 349 Ca -0.21 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3hwx h ILE 349 Cb 2.00 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 3hwx h ILE 349 CO 0.25 0.06 0.50 -0.65 0.00 0.00 0.00 178.15 178.31 3hwx h PRO 350 N 0.35 1.10 -0.11 2.37 0.11 -1.88 -0.48 132.00 133.45 3hwx h PRO 350 Ca 0.28 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.30 3hwx h PRO 350 Cb 0.34 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3hwx h PRO 350 CO -0.30 0.76 0.04 -0.09 -0.21 0.00 0.00 178.00 178.21 3hwx h ARG 351 N 1.12 0.10 -0.47 1.05 2.43 -1.61 -2.94 114.38 114.05 3hwx h ARG 351 Ca 0.29 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 3hwx h ARG 351 Cb -0.06 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 3hwx h ARG 351 CO -0.06 0.07 0.17 -0.07 -1.51 0.00 0.00 179.97 178.57 3hwx h LEU 352 N 0.10 0.19 -1.20 3.80 3.38 0.16 0.17 115.31 121.91 3hwx h LEU 352 Ca 0.04 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hwx h LEU 352 Cb 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3hwx h LEU 352 CO -0.04 0.14 0.55 0.00 0.09 0.00 0.00 178.44 179.18 3hwx h ALA 353 N 1.31 1.48 0.01 1.53 0.00 -1.32 0.35 119.26 122.61 3hwx h ALA 353 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hwx h ALA 353 Cb 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hwx h ALA 353 CO -0.22 0.44 -0.00 1.49 0.00 0.00 0.00 179.25 180.95 3hwx h GLU 354 N 1.05 -0.01 -0.48 0.00 4.81 -0.81 -1.93 114.58 117.21 3hwx h GLU 354 Ca 0.33 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3hwx h GLU 354 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3hwx h GLU 354 CO -0.10 0.22 0.08 1.96 -0.73 0.00 0.00 179.01 180.45 3hwx h GLN 355 N -0.24 0.74 0.08 1.92 4.20 -1.13 -0.95 115.11 119.73 3hwx h GLN 355 Ca -0.00 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3hwx h GLN 355 Cb 0.23 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hwx h GLN 355 CO 0.00 0.69 -0.10 0.00 -0.67 0.00 0.00 178.83 178.76 3hwx h ALA 356 N 1.38 -0.78 -0.82 3.87 0.00 -0.06 -0.00 119.26 122.84 3hwx h ALA 356 Ca 0.15 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.23 3hwx h ALA 356 Cb 0.31 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 3hwx h ALA 356 CO 0.00 -0.79 0.26 1.98 0.00 0.00 0.00 179.25 180.70 3hwx h MET 357 N -0.19 0.29 -0.57 0.00 1.85 -1.32 -0.80 114.93 114.19 3hwx h MET 357 Ca -0.01 -0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.17 3hwx h MET 357 Cb 0.17 -0.07 -0.09 0.00 0.43 0.00 0.00 31.60 32.04 3hwx h MET 357 CO -0.02 0.19 0.07 1.96 -0.40 0.00 0.00 176.91 178.71 3hwx h GLN 358 N 0.30 0.19 0.00 0.39 4.20 -0.60 0.33 115.11 119.92 3hwx h GLN 358 Ca 0.49 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.15 3hwx h GLN 358 Cb 0.91 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3hwx h GLN 358 CO -0.55 0.13 -0.21 0.00 -0.67 0.00 0.00 178.83 177.53 3hwx h ALA 359 N 1.48 1.58 0.05 3.87 0.00 0.44 -1.95 119.26 124.73 3hwx h ALA 359 Ca 0.30 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 3hwx h ALA 359 Cb 0.46 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hwx h ALA 359 CO -0.43 0.26 -1.08 0.28 0.00 0.00 0.00 179.25 178.28 3hwx h VAL 360 N 0.00 1.29 -0.58 0.00 2.07 0.13 -3.30 116.25 115.87 3hwx h VAL 360 Ca -0.00 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 3hwx h VAL 360 Cb 0.39 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3hwx h VAL 360 CO 0.03 0.71 0.32 0.40 0.02 0.00 0.00 177.57 179.04 3hwx h ILE 361 N 0.30 1.19 -0.84 4.57 2.04 -0.69 -2.31 117.51 121.76 3hwx h ILE 361 Ca -0.15 -0.47 0.18 0.00 1.00 0.00 0.00 64.86 65.42 3hwx h ILE 361 Cb 1.75 0.45 -0.16 0.00 -0.74 0.00 0.00 36.82 38.12 3hwx h ILE 361 CO 0.21 0.20 -0.16 0.00 0.00 0.00 0.00 178.15 178.40 3hwx h ALA 362 N 1.15 0.64 -0.28 1.87 0.00 -1.43 -1.11 119.26 120.10 3hwx h ALA 362 Ca 0.20 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3hwx h ALA 362 Cb 0.04 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hwx h ALA 362 CO -0.03 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.34 3hwx n ARG 363 N -5.51 2.52 0.00 0.00 1.74 -0.88 -4.43 116.66 110.10 3hwx n ARG 363 Ca 0.13 -1.38 0.07 0.00 -0.77 0.00 0.00 57.85 55.91 3hwx n ARG 363 Cb 0.46 -1.70 0.40 0.00 -1.02 0.00 0.00 32.46 30.60 3hwx n ARG 363 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3hwx n ARG 364 N 0.34 0.32 0.02 5.56 1.85 -0.42 -4.20 116.66 120.12 3hwx n ARG 364 Ca 0.12 0.08 -0.21 0.00 -1.00 0.00 0.00 57.85 56.84 3hwx n ARG 364 Cb 0.58 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.35 3hwx n ARG 364 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3hwx h ASP 365 N 0.00 0.41 -1.62 2.89 3.32 -1.83 -3.47 116.42 116.13 3hwx h ASP 365 Ca 0.00 -0.87 -0.69 0.00 0.02 0.00 0.00 57.03 55.49 3hwx h ASP 365 Cb 0.08 -0.13 0.06 0.00 0.22 0.00 0.00 39.33 39.55 3hwx h ASP 365 CO 0.00 1.61 0.31 0.00 -1.72 0.00 0.00 179.24 179.44 3hwx n ALA 366 N -2.93 -1.42 -2.19 3.45 0.00 -1.26 -4.85 120.51 111.30 3hwx n ALA 366 Ca -0.24 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 3hwx n ALA 366 Cb 0.91 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 2.00 4.13 -4.08 0.00 7.35 -1.26 -4.63 117.46 120.98 3hwx n PHE 367 Ca 0.18 -2.91 -0.04 0.00 -0.76 0.00 0.00 57.45 53.92 3hwx n PHE 367 Cb 0.19 -2.59 -0.01 0.00 0.35 0.00 0.00 39.48 37.42 3hwx n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hwx n GLY 368 N 4.76 3.97 0.18 7.13 0.00 -1.26 -4.91 105.19 115.06 3hwx n GLY 368 Ca 0.50 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 3hwx n GLY 368 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hwx h GLU 369 N 0.00 0.60 -0.54 1.61 4.11 -1.95 -1.83 114.58 116.58 3hwx h GLU 369 Ca -0.05 -0.58 0.11 0.00 0.07 0.00 0.00 59.36 58.91 3hwx h GLU 369 Cb 0.19 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 3hwx h GLU 369 CO 0.08 1.20 -0.17 0.00 0.07 0.00 0.00 179.01 180.19 3hwx h ALA 370 N 0.42 0.29 -0.16 1.06 0.00 -1.91 0.67 119.26 119.62 3hwx h ALA 370 Ca -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hwx h ALA 370 Cb 1.42 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 3hwx h ALA 370 CO 0.15 -0.47 -0.07 1.96 0.00 0.00 0.00 179.25 180.82 3hwx h GLN 371 N -0.04 0.34 -0.48 0.00 7.50 -1.81 -2.26 115.11 118.35 3hwx h GLN 371 Ca 0.26 -0.15 0.08 0.00 0.50 0.00 0.00 58.65 59.34 3hwx h GLN 371 Cb 0.43 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.88 3hwx h GLN 371 CO -0.57 0.65 0.09 1.25 -1.50 0.00 0.00 178.83 178.75 3hwx h LEU 372 N 0.02 -0.01 -0.54 1.46 5.85 -0.86 0.28 115.31 121.51 3hwx h LEU 372 Ca 0.04 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.95 3hwx h LEU 372 Cb 0.54 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 3hwx h LEU 372 CO 0.02 0.03 -0.15 0.00 -0.34 0.00 0.00 178.44 178.00 3hwx h ALA 373 N 1.38 0.33 -0.17 1.25 0.00 -0.79 -0.45 119.26 120.80 3hwx h ALA 373 Ca 0.24 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 3hwx h ALA 373 Cb 0.32 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hwx h ALA 373 CO -0.32 -0.45 -0.41 1.25 0.00 0.00 0.00 179.25 179.32 3hwx h HIS 374 N -0.01 0.47 0.00 0.00 -0.00 -0.61 -2.98 115.15 112.01 3hwx h HIS 374 Ca 0.26 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3hwx h HIS 374 Cb 0.41 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 3hwx h HIS 374 CO -0.46 0.75 0.00 0.54 -0.00 0.00 0.00 177.93 178.76 3hwx n ARG 375 N -4.02 0.08 -0.01 5.26 5.12 0.87 -4.57 116.66 119.40 3hwx n ARG 375 Ca -0.02 0.09 0.21 0.00 -1.93 0.00 0.00 57.85 56.21 3hwx n ARG 375 Cb 0.50 -1.60 0.70 0.00 -1.16 0.00 0.00 32.46 30.90 3hwx n ARG 375 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3hwx h ILE 376 N 0.00 0.71 -0.05 0.55 6.09 -0.92 0.54 117.51 124.43 3hwx h ILE 376 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3hwx h ILE 376 Cb 0.55 0.72 -0.00 0.00 0.47 0.00 0.00 36.82 38.56 3hwx h ILE 376 CO 0.00 0.00 0.03 0.00 -3.07 0.00 0.00 178.15 175.11 3hwx n ASP 378 N -4.53 0.00 -0.00 0.00 8.00 0.19 -3.17 116.55 117.04 3hwx n ASP 378 Ca -0.02 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3hwx n ASP 378 Cb 0.09 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3hwx n ASP 378 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hwx n TYR 379 N -1.08 0.00 -1.78 1.24 4.01 -0.83 -5.04 117.16 113.69 3hwx n TYR 379 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 3hwx n TYR 379 Cb 0.06 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3hwx n TYR 379 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hwx s LEU 380 N -2.29 4.39 0.17 7.72 1.43 -1.19 -4.93 118.68 123.98 3hwx s LEU 380 Ca 0.00 2.71 -0.31 0.00 -1.03 0.00 0.00 54.13 55.51 3hwx s LEU 380 Cb 0.01 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 3hwx s LEU 380 CO 0.04 -0.96 1.39 -2.16 0.23 0.00 0.00 176.35 174.88 3hwx s PRO 381 N 2.33 4.33 0.20 1.29 0.04 -1.26 -4.93 135.00 136.99 3hwx s PRO 381 Ca 0.78 2.13 -0.33 0.00 0.04 0.00 0.00 61.00 63.62 3hwx s PRO 381 Cb -0.45 -3.20 -0.14 0.00 0.04 0.00 0.00 34.50 30.76 3hwx s PRO 381 CO 0.34 -0.38 1.52 -1.91 0.04 0.00 0.00 177.00 176.60 3hwx n GLU 382 N 3.21 2.15 -1.00 4.56 4.07 -1.26 -0.30 120.64 132.06 3hwx n GLU 382 Ca 0.09 0.77 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 3hwx n GLU 382 Cb 0.42 -2.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 3hwx n GLU 382 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3hwx n GLN 383 N 2.81 -0.62 0.00 5.31 1.13 -1.26 -4.88 117.38 119.88 3hwx n GLN 383 Ca 0.14 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 3hwx n GLN 383 Cb 0.30 -3.62 0.00 0.00 0.11 0.00 0.00 30.24 27.04 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 -1.75 1.67 3.36 1.08 0.00 0.58 -4.49 105.19 105.64 3hwx n GLY 384 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 3hwx n GLY 384 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hwx s GLN 385 N 3.08 0.45 -0.40 1.61 0.74 -0.63 -4.56 119.66 119.95 3hwx s GLN 385 Ca 0.00 0.96 -0.09 0.00 0.05 0.00 0.00 55.36 56.28 3hwx s GLN 385 Cb 0.00 0.12 0.07 0.00 1.10 0.00 0.00 33.01 34.30 3hwx s GLN 385 CO 0.00 -0.18 0.22 -1.17 -0.55 0.00 0.00 175.29 173.62 3hwx s LEU 386 N 1.75 4.95 -0.80 3.68 2.96 -0.47 -0.91 118.68 129.83 3hwx s LEU 386 Ca -0.08 -1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 52.26 3hwx s LEU 386 Cb -0.09 -1.96 0.15 0.00 0.50 0.00 0.00 46.19 44.79 3hwx s LEU 386 CO -0.15 -0.48 0.90 0.12 -1.32 0.00 0.00 176.35 175.42 3hwx s PHE 387 N 1.43 3.29 -0.09 5.38 5.36 0.18 0.51 117.98 134.03 3hwx s PHE 387 Ca 0.02 -1.46 -0.30 0.00 -0.96 0.00 0.00 56.93 54.24 3hwx s PHE 387 Cb -0.22 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.37 3hwx s PHE 387 CO 0.03 -1.28 1.19 0.54 -1.46 0.00 0.00 175.22 174.24 3hwx s VAL 388 N 1.89 4.31 0.18 3.12 0.11 -0.86 -2.26 120.40 126.90 3hwx s VAL 388 Ca 0.22 1.62 -0.03 0.00 -2.93 0.00 0.00 61.98 60.86 3hwx s VAL 388 Cb -0.12 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.73 3hwx s VAL 388 CO -0.05 -0.04 0.23 0.61 -3.33 0.00 0.00 175.10 172.52 3hwx n GLY 389 N 3.40 -1.47 0.00 6.54 0.00 0.32 -4.44 105.19 109.54 3hwx n GLY 389 Ca 0.11 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3hwx n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwx n ASN 390 N -3.19 0.00 0.00 1.61 3.02 -1.26 -3.97 115.26 111.46 3hwx n ASN 390 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3hwx n ASN 390 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.05 6.41 2.88 -1.26 -3.68 113.62 117.92 3hwx n SER 391 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3hwx n SER 391 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3hwx n SER 391 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hwx h LEU 392 N 0.00 0.18 -0.80 2.46 3.38 -1.96 -3.24 115.31 115.32 3hwx h LEU 392 Ca 0.00 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3hwx h LEU 392 Cb 0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.57 3hwx h LEU 392 CO 0.00 0.14 -0.11 1.62 0.09 0.00 0.00 178.44 180.18 3hwx h VAL 393 N 0.24 0.23 -0.37 1.22 3.04 -1.87 0.70 116.25 119.44 3hwx h VAL 393 Ca 0.09 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.74 3hwx h VAL 393 Cb 0.01 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.47 3hwx h VAL 393 CO -0.05 0.01 0.13 1.62 -1.01 0.00 0.00 177.57 178.27 3hwx h VAL 394 N 0.04 1.20 -0.31 1.51 3.04 -1.68 0.53 116.25 120.57 3hwx h VAL 394 Ca 0.42 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 3hwx h VAL 394 Cb 0.70 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 3hwx h VAL 394 CO -0.78 0.22 0.10 0.03 -1.01 0.00 0.00 177.57 176.13 3hwx h ARG 395 N 0.45 0.49 -0.34 4.17 3.08 -1.15 0.03 114.38 121.09 3hwx h ARG 395 Ca 0.12 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3hwx h ARG 395 Cb 0.21 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3hwx h ARG 395 CO -0.01 0.53 0.07 -0.07 -1.07 0.00 0.00 179.97 179.42 3hwx h LEU 396 N 0.35 0.02 -0.78 3.04 3.38 0.63 0.26 115.31 122.22 3hwx h LEU 396 Ca 0.10 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3hwx h LEU 396 Cb 0.24 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hwx h LEU 396 CO -0.00 0.05 -0.29 0.40 0.09 0.00 0.00 178.44 178.69 3hwx h ILE 397 N 0.19 1.28 0.00 1.22 2.04 -0.84 -0.79 117.51 120.62 3hwx h ILE 397 Ca 0.16 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 3hwx h ILE 397 Cb 0.18 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3hwx h ILE 397 CO -0.21 0.45 -0.37 -0.78 0.00 0.00 0.00 178.15 177.23 3hwx h ASP 398 N 0.52 0.00 0.14 1.72 3.58 -0.02 -1.66 116.42 120.70 3hwx h ASP 398 Ca 0.07 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.19 3hwx h ASP 398 Cb 0.76 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 3hwx h ASP 398 CO 0.06 0.37 -1.68 0.00 -2.88 0.00 0.00 179.24 175.11 3hwx h ALA 399 N 1.63 0.23 -0.00 -0.78 0.00 -0.41 -3.41 119.26 116.52 3hwx h ALA 399 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3hwx h ALA 399 Cb 0.97 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hwx h ALA 399 CO 0.05 1.02 -0.06 1.28 0.00 0.00 0.00 179.25 181.54 3hwx n LEU 400 N -3.71 1.10 -4.44 0.00 4.77 -0.31 -3.38 117.00 111.03 3hwx n LEU 400 Ca -0.27 -0.86 -0.22 0.00 -0.03 0.00 0.00 56.01 54.62 3hwx n LEU 400 Cb 1.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.99 3hwx n LEU 400 CO 0.45 0.24 -0.46 -0.55 -1.33 0.00 0.00 177.39 175.73 3hwx s SER 401 N -0.71 3.27 -0.31 -1.43 0.15 -0.63 -4.33 113.70 109.71 3hwx s SER 401 Ca 0.05 -1.04 0.03 0.00 0.70 0.00 0.00 55.95 55.68 3hwx s SER 401 Cb 0.04 -0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.19 3hwx s SER 401 CO 0.10 -0.05 0.02 -1.58 1.20 0.00 0.00 173.24 172.93 3hwx s GLN 402 N -3.56 1.49 0.27 5.44 0.74 -1.26 -4.50 119.66 118.27 3hwx s GLN 402 Ca 0.28 -1.57 -0.17 0.00 0.05 0.00 0.00 55.36 53.95 3hwx s GLN 402 Cb -0.03 -2.89 -0.09 0.00 1.10 0.00 0.00 33.01 31.10 3hwx s GLN 402 CO 0.13 -0.85 0.73 -0.51 -0.55 0.00 0.00 175.29 174.23 3hwx s LEU 403 N 1.10 4.21 0.74 3.68 1.43 -1.26 -4.86 118.68 123.72 3hwx s LEU 403 Ca 0.06 1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 54.38 3hwx s LEU 403 Cb -0.19 -3.81 0.04 0.00 0.03 0.00 0.00 46.19 42.26 3hwx s LEU 403 CO -0.10 -0.08 1.13 -2.84 0.23 0.00 0.00 176.35 174.69 3hwx s PRO 404 N -2.44 2.29 0.16 1.29 0.02 -1.26 -3.83 135.00 131.24 3hwx s PRO 404 Ca 0.48 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 3hwx s PRO 404 Cb -0.14 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 3hwx s PRO 404 CO 0.19 -1.65 1.05 0.00 -0.33 0.00 0.00 177.00 176.26 3hwx s ALA 405 N -2.49 3.33 0.00 -1.55 0.00 -1.26 -3.05 121.76 116.74 3hwx s ALA 405 Ca 0.66 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3hwx s ALA 405 Cb -0.21 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3hwx s ALA 405 CO 0.49 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3hwx n GLY 406 N 2.06 0.33 3.60 0.00 0.00 0.82 -4.88 105.19 107.13 3hwx n GLY 406 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3hwx n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hwx s TYR 407 N -1.75 3.22 -0.14 1.61 6.14 -1.17 -4.82 117.35 120.44 3hwx s TYR 407 Ca 0.00 0.58 -0.33 0.00 0.64 0.00 0.00 57.07 57.96 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 -0.45 2.01 -2.30 0.64 0.00 0.00 175.55 175.45 3hwx n PRO 408 N 5.83 2.05 -3.94 4.97 -0.02 -1.26 -4.82 135.00 137.79 3hwx n PRO 408 Ca -0.02 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 3hwx n PRO 408 Cb 0.49 -2.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.11 3hwx n PRO 408 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hwx s VAL 409 N 5.49 5.11 0.11 -1.45 1.01 -1.26 -1.37 120.40 128.04 3hwx s VAL 409 Ca 0.97 0.07 0.10 0.00 0.00 0.00 0.00 61.98 63.12 3hwx s VAL 409 Cb -0.62 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3hwx s VAL 409 CO 0.47 0.52 -0.26 -0.31 0.00 0.00 0.00 175.10 175.52 3hwx s TYR 410 N -0.22 2.25 -0.00 5.22 2.02 0.18 -4.97 117.35 121.83 3hwx s TYR 410 Ca 0.09 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 3hwx s TYR 410 Cb -0.12 -1.24 0.11 0.00 -0.40 0.00 0.00 41.96 40.31 3hwx s TYR 410 CO 0.01 0.28 1.20 -1.54 -1.57 0.00 0.00 175.55 173.93 3hwx s SER 411 N -1.88 -0.10 -0.85 2.29 1.04 -1.26 -2.03 113.70 110.91 3hwx s SER 411 Ca 0.13 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.39 3hwx s SER 411 Cb -0.10 0.23 0.24 0.00 0.10 0.00 0.00 66.02 66.49 3hwx s SER 411 CO 0.05 -0.43 0.86 0.59 0.98 0.00 0.00 173.24 175.29 3hwx n ASN 412 N -0.43 4.33 -0.86 7.02 3.02 -1.26 -4.91 115.26 122.17 3hwx n ASN 412 Ca -0.07 -3.26 0.08 0.00 -0.03 0.00 0.00 54.58 51.29 3hwx n ASN 412 Cb 0.62 -0.96 0.20 0.00 -0.61 0.00 0.00 39.78 39.03 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 1.76 2.76 0.00 3.52 5.12 -1.26 -3.26 116.66 125.30 3hwx n ARG 413 Ca 0.24 -2.22 0.00 0.00 -1.93 0.00 0.00 57.85 53.94 3hwx n ARG 413 Cb 0.37 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 3hwx n ARG 413 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwx n GLY 414 N 0.88 -1.73 0.11 -0.13 0.00 -1.26 -4.41 105.19 98.65 3hwx n GLY 414 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hwx n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx h ALA 415 N -2.00 0.63 -2.15 4.61 0.00 -1.85 -3.49 119.26 115.01 3hwx h ALA 415 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3hwx h ALA 415 Cb 0.00 0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hwx h ALA 415 CO 0.00 0.81 -0.14 0.43 0.00 0.00 0.00 179.25 180.35 3hwx n SER 416 N -3.12 -2.68 -4.72 0.00 7.64 -1.20 -5.01 113.62 104.53 3hwx n SER 416 Ca -0.03 -0.11 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 3hwx n SER 416 Cb 0.80 -1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 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 -3.11 2.90 0.00 0.23 0.00 -1.26 -4.93 107.32 101.15 3hwx s GLY 417 Ca 0.09 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.32 3hwx s GLY 417 CO 0.15 1.56 0.90 0.29 0.00 0.00 0.00 173.10 175.99 3hwx n ILE 418 N 3.57 0.00 0.06 0.90 -5.35 -1.26 -4.26 119.36 113.01 3hwx n ILE 418 Ca 0.04 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.41 3hwx n ILE 418 Cb 0.51 -0.09 -0.13 0.00 -1.74 0.00 0.00 39.64 38.18 3hwx n ILE 418 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3hwx h ASP 419 N 0.00 0.16 -1.17 7.28 2.03 -1.92 -3.41 116.42 119.39 3hwx h ASP 419 Ca 0.00 -0.20 -0.46 0.00 -0.73 0.00 0.00 57.03 55.64 3hwx h ASP 419 Cb 0.00 -0.05 -0.41 0.00 -0.83 0.00 0.00 39.33 38.04 3hwx h ASP 419 CO 0.00 1.16 -0.96 0.61 -1.03 0.00 0.00 179.24 179.01 3hwx n GLY 420 N 1.48 3.82 0.15 7.15 0.00 -1.26 -4.41 105.19 112.11 3hwx n GLY 420 Ca -0.07 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.70 3hwx n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hwx h LEU 421 N 2.73 0.68 -0.07 0.99 3.38 -1.83 -2.98 115.31 118.21 3hwx h LEU 421 Ca 0.10 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.12 3hwx h LEU 421 Cb 1.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hwx h LEU 421 CO 0.65 1.77 -0.06 -0.07 0.09 0.00 0.00 178.44 180.82 3hwx h LEU 422 N 0.12 0.17 -0.30 1.67 3.38 -1.88 -2.43 115.31 116.04 3hwx h LEU 422 Ca -0.32 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 3hwx h LEU 422 Cb 2.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 3hwx h LEU 422 CO 0.20 0.61 0.07 0.77 0.09 0.00 0.00 178.44 180.18 3hwx h SER 423 N -0.26 0.46 0.31 -0.43 4.64 -1.86 -1.48 113.55 114.93 3hwx h SER 423 Ca 0.01 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hwx h SER 423 Cb 0.55 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3hwx h SER 423 CO 0.02 0.58 -0.45 0.74 -0.87 0.00 0.00 176.83 176.84 3hwx h THR 424 N 0.33 0.00 -0.89 2.95 2.02 -1.61 -2.04 112.91 113.67 3hwx h THR 424 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.42 3hwx h THR 424 Cb 0.29 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.56 3hwx h THR 424 CO 0.00 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.57 3hwx n ALA 425 N -2.79 -0.05 -0.27 6.16 0.00 -0.91 -0.89 120.51 121.76 3hwx n ALA 425 Ca -0.09 0.90 -0.00 0.00 0.00 0.00 0.00 53.44 54.24 3hwx n ALA 425 Cb 0.38 -0.43 0.12 0.00 0.00 0.00 0.00 19.45 19.53 3hwx n ALA 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwx h ALA 426 N 1.32 1.03 -0.04 0.00 0.00 -0.76 -0.43 119.26 120.38 3hwx h ALA 426 Ca 0.33 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3hwx h ALA 426 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hwx h ALA 426 CO -0.88 0.13 -0.43 0.78 0.00 0.00 0.00 179.25 178.85 3hwx h GLY 427 N 0.80 0.09 1.96 0.00 0.00 -0.32 -2.11 103.07 103.48 3hwx h GLY 427 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hwx h GLY 427 CO -0.19 0.08 0.02 -2.08 0.00 0.00 0.00 176.54 174.37 3hwx h VAL 428 N 0.07 1.01 0.00 4.60 2.07 0.62 -2.15 116.25 122.47 3hwx h VAL 428 Ca 0.00 -0.02 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 3hwx h VAL 428 Cb 0.78 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3hwx h VAL 428 CO 0.06 0.01 -1.79 0.00 0.02 0.00 0.00 177.57 175.87 3hwx n GLN 429 N -4.53 0.65 0.17 1.57 -0.00 -0.78 -3.76 117.38 110.70 3hwx n GLN 429 Ca -0.02 0.10 0.02 0.00 -0.00 0.00 0.00 57.00 57.09 3hwx n GLN 429 Cb 0.09 -1.68 0.30 0.00 -0.00 0.00 0.00 30.24 28.95 3hwx n GLN 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hwx h ARG 430 N 0.00 0.00 0.01 2.61 3.08 -1.18 0.17 114.38 119.07 3hwx h ARG 430 Ca -0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3hwx h ARG 430 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 3hwx h ARG 430 CO 0.04 0.46 -0.01 0.00 -1.07 0.00 0.00 179.97 179.38 3hwx h ALA 431 N 1.54 -0.02 0.05 0.04 0.00 -1.54 -3.34 119.26 115.99 3hwx h ALA 431 Ca -0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.30 3hwx h ALA 431 Cb 0.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3hwx h ALA 431 CO 0.06 -0.10 -1.04 0.66 0.00 0.00 0.00 179.25 178.82 3hwx h SER 432 N -0.83 0.26 0.00 0.00 4.64 -1.65 -3.47 113.55 112.50 3hwx h SER 432 Ca -0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hwx h SER 432 Cb 0.77 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3hwx h SER 432 CO 0.00 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 3hwx n GLY 433 N 1.23 0.46 3.83 -0.77 0.00 0.58 -5.04 105.19 105.47 3hwx n GLY 433 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.53 4.15 0.37 1.61 1.02 -1.25 -4.35 119.74 120.76 3hwx s LYS 434 Ca 0.00 0.82 -0.26 0.00 0.02 0.00 0.00 55.97 56.55 3hwx s LYS 434 Cb 0.00 -2.59 -0.12 0.00 -0.52 0.00 0.00 37.83 34.60 3hwx s LYS 434 CO 0.00 0.23 1.06 -2.30 -0.92 0.00 0.00 175.35 173.42 3hwx n PRO 435 N 0.06 1.49 -4.56 -1.68 -0.02 -1.26 -4.71 135.00 124.32 3hwx n PRO 435 Ca 0.02 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.80 3hwx n PRO 435 Cb 0.52 -2.04 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 3hwx n PRO 435 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hwx s THR 436 N -1.19 1.02 -0.20 3.45 2.01 -0.21 -1.61 115.64 118.90 3hwx s THR 436 Ca 0.61 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 3hwx s THR 436 Cb -0.59 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3hwx s THR 436 CO 0.59 0.30 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.59 3hwx s LEU 437 N 0.07 3.16 -0.10 4.42 2.96 -0.09 -0.50 118.68 128.59 3hwx s LEU 437 Ca -0.02 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3hwx s LEU 437 Cb -0.09 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3hwx s LEU 437 CO 0.01 0.05 -0.19 0.00 -1.32 0.00 0.00 176.35 174.89 3hwx s ALA 438 N 1.10 1.86 -0.08 5.97 0.00 -0.42 -0.65 121.76 129.55 3hwx s ALA 438 Ca 0.02 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3hwx s ALA 438 Cb -0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 3hwx s ALA 438 CO 0.01 0.11 -0.21 0.42 0.00 0.00 0.00 175.76 176.10 3hwx s ILE 439 N 0.64 2.43 0.06 0.00 1.01 -0.96 0.12 121.20 124.51 3hwx s ILE 439 Ca -0.13 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 3hwx s ILE 439 Cb -0.16 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.39 3hwx s ILE 439 CO 0.04 0.56 0.30 0.54 0.00 0.00 0.00 174.94 176.38 3hwx s VAL 440 N -0.10 0.09 0.71 2.92 0.11 0.17 -0.52 120.40 123.79 3hwx s VAL 440 Ca -0.04 -0.74 -0.11 0.00 -2.93 0.00 0.00 61.98 58.16 3hwx s VAL 440 Cb -0.14 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 3hwx s VAL 440 CO 0.04 -0.41 1.08 -0.83 -3.33 0.00 0.00 175.10 171.66 3hwx s GLY 441 N -2.28 1.64 0.12 6.54 0.00 -1.26 -1.58 107.32 110.50 3hwx s GLY 441 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 3hwx s GLY 441 CO -0.06 0.13 1.47 1.29 0.00 0.00 0.00 173.10 175.94 3hwx h ASP 442 N -0.71 0.86 -0.66 1.64 2.03 -1.78 -1.38 116.42 116.43 3hwx h ASP 442 Ca -0.45 -0.44 -0.05 0.00 -0.73 0.00 0.00 57.03 55.36 3hwx h ASP 442 Cb 1.24 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 39.47 3hwx h ASP 442 CO 0.62 1.12 0.21 -0.07 -1.03 0.00 0.00 179.24 180.08 3hwx h LEU 443 N 0.62 0.96 -0.88 0.15 3.38 -1.89 0.10 115.31 117.74 3hwx h LEU 443 Ca 0.07 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hwx h LEU 443 Cb 0.84 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 3hwx h LEU 443 CO 0.07 0.91 0.52 0.28 0.09 0.00 0.00 178.44 180.31 3hwx h SER 444 N 0.95 0.76 0.79 -0.43 0.02 -1.74 0.27 113.55 114.18 3hwx h SER 444 Ca 0.21 0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.98 3hwx h SER 444 Cb 0.29 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3hwx h SER 444 CO -0.01 0.43 -1.04 0.00 -1.14 0.00 0.00 176.83 175.07 3hwx h ALA 445 N 1.48 0.32 -0.35 3.77 0.00 -0.49 -2.47 119.26 121.50 3hwx h ALA 445 Ca 0.43 -0.86 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3hwx h ALA 445 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hwx h ALA 445 CO -0.25 1.08 -0.06 -0.07 0.00 0.00 0.00 179.25 179.95 3hwx h LEU 446 N 0.05 0.67 -0.65 0.00 3.38 -0.66 -1.67 115.31 116.42 3hwx h LEU 446 Ca -0.06 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.68 3hwx h LEU 446 Cb 1.77 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 3hwx h LEU 446 CO 0.15 0.86 0.21 0.22 0.09 0.00 0.00 178.44 179.97 3hwx h TYR 447 N 0.46 0.35 -0.49 1.13 5.03 -0.20 -2.34 116.97 120.91 3hwx h TYR 447 Ca 0.09 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.23 3hwx h TYR 447 Cb 0.55 -0.05 -0.13 0.00 1.55 0.00 0.00 36.73 38.65 3hwx h TYR 447 CO 0.05 0.03 0.10 -3.47 -1.32 0.00 0.00 178.16 173.55 3hwx n ASP 448 N -5.06 3.22 -0.34 -2.11 -0.08 -0.96 -4.80 116.55 106.43 3hwx n ASP 448 Ca 0.11 -3.54 0.22 0.00 -1.51 0.00 0.00 54.79 50.06 3hwx n ASP 448 Cb 0.34 -0.67 0.48 0.00 2.34 0.00 0.00 41.12 43.61 3hwx n ASP 448 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3hwx h LEU 449 N 1.33 0.51 -0.55 -2.67 5.85 -0.72 0.14 115.31 119.20 3hwx h LEU 449 Ca 0.26 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3hwx h LEU 449 Cb 1.91 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.98 3hwx h LEU 449 CO 0.52 0.05 0.00 -0.55 -0.34 0.00 0.00 178.44 178.13 3hwx h ASN 450 N 0.42 0.00 0.11 1.25 7.08 -1.86 -2.76 115.58 119.83 3hwx h ASN 450 Ca 0.64 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.86 3hwx h ASN 450 Cb 1.51 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.75 3hwx h ASN 450 CO -0.39 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 174.96 3hwx n ALA 451 N -1.99 1.14 0.13 4.14 0.00 0.47 -0.57 120.51 123.84 3hwx n ALA 451 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.58 3hwx n ALA 451 Cb 0.40 -1.14 0.31 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.76 0.30 0.11 0.00 4.77 -1.04 -0.37 117.00 119.01 3hwx n LEU 452 Ca 0.00 0.53 -0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3hwx n LEU 452 Cb 0.05 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3hwx n LEU 452 CO 0.06 -0.63 0.36 0.00 -1.33 0.00 0.00 177.39 175.84 3hwx h ALA 453 N 1.29 0.59 -0.00 -1.18 0.00 -1.10 -3.21 119.26 115.65 3hwx h ALA 453 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3hwx h ALA 453 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hwx h ALA 453 CO 0.00 0.81 -0.11 1.28 0.00 0.00 0.00 179.25 181.22 3hwx n LEU 454 N -3.25 0.22 -0.69 0.00 4.77 0.50 -3.54 117.00 115.01 3hwx n LEU 454 Ca 0.01 0.23 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 3hwx n LEU 454 Cb 0.79 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3hwx n LEU 454 CO 0.42 0.05 0.49 0.18 -1.33 0.00 0.00 177.39 177.19 3hwx n LEU 455 N -1.30 2.41 0.00 2.23 4.77 -1.20 -3.91 117.00 120.00 3hwx n LEU 455 Ca 0.10 -0.94 0.12 0.00 -0.03 0.00 0.00 56.01 55.26 3hwx n LEU 455 Cb 0.30 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.01 3hwx n LEU 455 CO 0.27 0.42 0.88 0.54 -1.33 0.00 0.00 177.39 178.17 3hwx n ARG 456 N 0.79 0.45 -3.31 3.23 1.74 -1.23 -4.00 116.66 114.33 3hwx n ARG 456 Ca 0.10 0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.98 3hwx n ARG 456 Cb 0.46 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 3hwx n ARG 456 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hwx n GLN 457 N -1.20 1.57 -4.46 5.56 1.13 -1.25 -4.98 117.38 113.75 3hwx n GLN 457 Ca 0.13 -3.92 -0.32 0.00 -1.94 0.00 0.00 57.00 50.95 3hwx n GLN 457 Cb 0.16 -1.72 -0.11 0.00 0.11 0.00 0.00 30.24 28.68 3hwx n GLN 457 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3hwx s VAL 458 N -1.78 3.53 0.02 5.09 -7.23 -1.26 -4.98 120.40 113.80 3hwx s VAL 458 Ca 0.37 -0.87 0.10 0.00 -1.81 0.00 0.00 61.98 59.78 3hwx s VAL 458 Cb 0.16 -2.54 -0.16 0.00 0.56 0.00 0.00 36.38 34.39 3hwx s VAL 458 CO -0.07 0.36 1.15 0.77 -0.31 0.00 0.00 175.10 177.00 3hwx h SER 459 N 4.42 0.00 -3.93 4.85 4.64 -1.87 -3.43 113.55 118.24 3hwx h SER 459 Ca -0.48 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.48 3hwx h SER 459 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 3hwx h SER 459 CO 0.53 0.88 -0.68 0.00 -0.87 0.00 0.00 176.83 176.69 3hwx s ALA 460 N -2.75 1.67 0.25 5.18 0.00 -1.26 -4.73 121.76 120.12 3hwx s ALA 460 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 3hwx s ALA 460 Cb 0.09 0.34 -0.14 0.00 0.00 0.00 0.00 23.12 23.41 3hwx s ALA 460 CO 0.81 -0.20 1.26 -2.30 0.00 0.00 0.00 175.76 175.33 3hwx n PRO 461 N -0.33 1.74 -3.98 0.00 -0.02 -1.25 -4.19 135.00 126.96 3hwx n PRO 461 Ca -0.07 0.62 -0.26 0.00 -2.02 0.00 0.00 63.50 61.77 3hwx n PRO 461 Cb 0.63 -2.17 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 3hwx n PRO 461 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hwx s LEU 462 N 0.09 1.18 -0.12 2.45 0.20 -0.90 -1.05 118.68 120.53 3hwx s LEU 462 Ca 0.65 -0.27 -0.07 0.00 0.69 0.00 0.00 54.13 55.13 3hwx s LEU 462 Cb -0.69 -0.78 -0.04 0.00 -0.43 0.00 0.00 46.19 44.25 3hwx s LEU 462 CO 0.54 -0.11 0.14 -0.69 -0.29 0.00 0.00 176.35 175.95 3hwx s VAL 463 N 1.58 5.50 -0.18 1.68 1.01 0.34 -0.74 120.40 129.60 3hwx s VAL 463 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3hwx s VAL 463 Cb -0.13 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3hwx s VAL 463 CO -0.06 0.61 -0.17 -0.22 0.00 0.00 0.00 175.10 175.26 3hwx s LEU 464 N -0.96 2.32 -0.30 3.92 2.96 -0.19 -1.31 118.68 125.12 3hwx s LEU 464 Ca 0.15 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 3hwx s LEU 464 Cb -0.12 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3hwx s LEU 464 CO 0.04 0.02 0.21 -0.63 -1.32 0.00 0.00 176.35 174.67 3hwx s ILE 465 N 1.19 5.30 -0.59 6.68 1.01 0.32 -0.23 121.20 134.88 3hwx s ILE 465 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 3hwx s ILE 465 Cb -0.14 -3.60 0.15 0.00 0.01 0.00 0.00 42.46 38.88 3hwx s ILE 465 CO -0.08 0.16 0.50 -0.69 0.00 0.00 0.00 174.94 174.82 3hwx s VAL 466 N 1.75 4.80 -0.26 2.92 1.01 0.06 0.43 120.40 131.11 3hwx s VAL 466 Ca 0.07 -1.96 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 3hwx s VAL 466 Cb -0.17 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3hwx s VAL 466 CO 0.11 -0.87 2.01 -0.69 0.00 0.00 0.00 175.10 175.66 3hwx s VAL 467 N 1.03 3.24 -0.51 2.92 1.01 -0.61 -0.87 120.40 126.60 3hwx s VAL 467 Ca 0.09 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 3hwx s VAL 467 Cb -0.23 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 32.96 3hwx s VAL 467 CO -0.02 -0.19 0.44 0.21 0.00 0.00 0.00 175.10 175.54 3hwx s ASN 468 N 7.13 6.04 -0.33 3.32 3.84 0.31 -2.37 114.94 132.88 3hwx s ASN 468 Ca 0.90 -1.78 0.07 0.00 0.21 0.00 0.00 52.86 52.27 3hwx s ASN 468 Cb -0.28 -2.15 0.50 0.00 -0.55 0.00 0.00 41.25 38.77 3hwx s ASN 468 CO 0.34 -0.79 1.49 -0.46 -2.79 0.00 0.00 177.10 174.90 3hwx n ASN 469 N 5.14 3.29 -3.71 -4.21 0.23 -1.26 -1.55 115.26 113.19 3hwx n ASN 469 Ca -0.12 -3.79 -0.24 0.00 -0.53 0.00 0.00 54.58 49.90 3hwx n ASN 469 Cb 0.41 -0.63 0.01 0.00 -2.08 0.00 0.00 39.78 37.48 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 -1.05 -5.24 0.00 0.53 5.15 -1.26 -4.23 115.26 109.15 3hwx n ASN 470 Ca 0.38 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 3hwx n ASN 470 Cb 1.02 -2.33 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 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 -1.72 -0.50 2.94 8.20 0.00 -1.26 -4.04 105.19 108.80 3hwx n GLY 471 Ca -0.23 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.09 3hwx n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwx n GLY 472 N -0.69 4.41 0.00 -0.02 0.00 0.32 -4.75 105.19 104.46 3hwx n GLY 472 Ca 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.11 3hwx n GLY 472 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 473 N 4.83 0.06 0.14 1.61 1.13 -1.26 -0.84 117.38 123.05 3hwx n GLN 473 Ca 0.43 0.26 0.06 0.00 -1.94 0.00 0.00 57.00 55.80 3hwx n GLN 473 Cb 0.38 -1.50 0.52 0.00 0.11 0.00 0.00 30.24 29.76 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 1.06 -0.00 5.09 6.09 -1.96 0.16 117.51 127.95 3hwx h ILE 474 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3hwx h ILE 474 Cb 0.05 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.16 3hwx h ILE 474 CO 0.00 0.07 -0.02 0.49 -3.07 0.00 0.00 178.15 175.62 3hwx n PHE 475 N -4.48 0.00 0.07 2.19 3.72 -0.02 -1.29 117.46 117.65 3hwx n PHE 475 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3hwx n PHE 475 Cb 0.10 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 3hwx n PHE 475 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hwx h SER 476 N 0.30 0.24 0.06 4.37 0.02 -0.85 -3.38 113.55 114.31 3hwx h SER 476 Ca 0.00 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3hwx h SER 476 Cb 0.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3hwx h SER 476 CO 0.00 1.22 -0.03 0.25 -1.14 0.00 0.00 176.83 177.14 3hwx h LEU 477 N 0.04 -0.06-10.04 5.07 5.85 -0.81 -3.45 115.31 111.91 3hwx h LEU 477 Ca -0.12 -0.47 -0.53 0.00 0.84 0.00 0.00 57.88 57.60 3hwx h LEU 477 Cb 1.91 0.02 0.11 0.00 0.37 0.00 0.00 40.66 43.07 3hwx h LEU 477 CO 0.16 0.45 0.54 -0.76 -0.34 0.00 0.00 178.44 178.50 3hwx s LEU 478 N -9.16 3.88 -0.63 2.25 1.43 -0.67 -4.85 118.68 110.92 3hwx s LEU 478 Ca -0.15 2.54 -0.06 0.00 -1.03 0.00 0.00 54.13 55.43 3hwx s LEU 478 Cb 0.01 -4.31 -0.14 0.00 0.03 0.00 0.00 46.19 41.78 3hwx s LEU 478 CO 0.63 -1.35 2.74 -0.81 0.23 0.00 0.00 176.35 177.80 3hwx n PRO 479 N -0.92 2.23 -2.38 1.29 -0.04 -1.26 -4.88 135.00 129.04 3hwx n PRO 479 Ca 0.10 -1.30 -0.37 0.00 -0.04 0.00 0.00 63.50 61.89 3hwx n PRO 479 Cb 0.47 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 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 2.11 3.37 -0.18 0.52 -4.23 -1.26 -4.93 115.64 111.03 3hwx s THR 480 Ca 0.54 1.03 -0.31 0.00 -1.18 0.00 0.00 61.69 61.77 3hwx s THR 480 Cb 0.20 -3.52 -0.08 0.00 1.34 0.00 0.00 72.50 70.44 3hwx s THR 480 CO -0.02 -0.01 2.13 -0.81 -0.54 0.00 0.00 174.62 175.37 3hwx n PRO 481 N -0.34 1.98 -0.30 3.99 -0.04 -1.26 -4.86 135.00 134.17 3hwx n PRO 481 Ca 0.06 0.61 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 3hwx n PRO 481 Cb 0.49 -2.98 0.25 0.00 -0.04 0.00 0.00 33.50 31.22 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 13.07 0.57 -0.68 0.54 4.20 -2.00 -2.60 115.11 128.21 3hwx h GLN 482 Ca -0.41 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.22 3hwx h GLN 482 Cb 1.26 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 3hwx h GLN 482 CO 0.97 0.38 0.23 1.03 -0.67 0.00 0.00 178.83 180.77 3hwx h SER 483 N 0.59 0.98 0.63 1.46 0.87 -2.05 -3.10 113.55 112.93 3hwx h SER 483 Ca 0.50 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3hwx h SER 483 Cb 0.78 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3hwx h SER 483 CO -0.40 0.91 -0.99 -1.84 -0.53 0.00 0.00 176.83 173.98 3hwx n GLU 484 N -4.34 0.38 -0.26 2.24 0.00 -1.04 -4.60 120.64 113.01 3hwx n GLU 484 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 57.16 57.31 3hwx n GLU 484 Cb 0.21 -1.66 0.14 0.00 0.00 0.00 0.00 31.44 30.12 3hwx n GLU 484 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3hwx n ARG 485 N -2.17 -0.06 0.23 3.44 3.00 -1.01 -1.82 116.66 118.27 3hwx n ARG 485 Ca 0.01 1.14 -0.09 0.00 -0.00 0.00 0.00 57.85 58.91 3hwx n ARG 485 Cb 0.47 -1.73 -0.04 0.00 0.00 0.00 0.00 32.46 31.15 3hwx n ARG 485 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3hwx h GLU 486 N 0.00 -0.58 0.00 -0.14 4.81 -1.81 -0.12 114.58 116.74 3hwx h GLU 486 Ca 0.38 0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3hwx h GLU 486 Cb 0.66 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3hwx h GLU 486 CO -0.74 -0.38 -0.55 0.07 -0.73 0.00 0.00 179.01 176.67 3hwx h ARG 487 N -0.71 0.00 0.00 1.92 0.11 -1.87 -1.63 114.38 112.20 3hwx h ARG 487 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 3hwx h ARG 487 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3hwx h ARG 487 CO 0.10 0.55 -0.89 1.19 0.10 0.00 0.00 179.97 181.02 3hwx n PHE 488 N -3.55 0.00 0.01 4.08 3.72 -0.76 -4.51 117.46 116.45 3hwx n PHE 488 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hwx n PHE 488 Cb 0.63 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 -1.46 -0.13 -0.04 1.38 4.01 -1.08 -4.91 117.16 114.93 3hwx n TYR 489 Ca 0.03 0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 3hwx n TYR 489 Cb 0.29 0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hwx h LEU 490 N 0.00 0.21 -2.96 7.72 3.38 -1.07 -3.43 115.31 119.16 3hwx h LEU 490 Ca 0.00 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 3hwx h LEU 490 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hwx h LEU 490 CO 0.00 0.16 -0.63 0.23 0.09 0.00 0.00 178.44 178.29 3hwx n MET 491 N -4.96 -1.71 -2.34 1.13 2.81 -0.61 0.12 117.12 111.56 3hwx n MET 491 Ca -0.04 1.40 -0.38 0.00 -1.81 0.00 0.00 57.70 56.88 3hwx n MET 491 Cb 0.03 -4.10 -0.02 0.00 -0.71 0.00 0.00 33.22 28.42 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 -3.39 4.08 0.00 0.03 0.04 -1.26 -4.22 135.00 130.28 3hwx s PRO 492 Ca 0.12 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.02 3hwx s PRO 492 Cb -0.02 -2.66 0.15 0.00 0.04 0.00 0.00 34.50 32.01 3hwx s PRO 492 CO 0.82 -0.28 0.97 1.04 0.04 0.00 0.00 177.00 179.58 3hwx n GLN 493 N 0.06 1.43 -3.69 4.56 1.13 -1.26 -4.92 117.38 114.69 3hwx n GLN 493 Ca 0.04 -1.43 -0.29 0.00 -1.94 0.00 0.00 57.00 53.38 3hwx n GLN 493 Cb 0.47 -1.19 0.04 0.00 0.11 0.00 0.00 30.24 29.67 3hwx n GLN 493 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hwx n ASN 494 N 0.40 -4.34 -4.32 1.08 3.02 -1.26 -4.99 115.26 104.85 3hwx n ASN 494 Ca 0.07 -0.98 -0.17 0.00 -0.03 0.00 0.00 54.58 53.47 3hwx n ASN 494 Cb 0.29 -3.51 -0.10 0.00 -0.61 0.00 0.00 39.78 35.85 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 -3.55 0.62 0.37 2.41 0.11 -1.26 -5.17 120.40 113.94 3hwx s VAL 495 Ca 0.37 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.47 3hwx s VAL 495 Cb -0.12 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 3hwx s VAL 495 CO 0.85 -0.05 0.20 -1.00 -3.33 0.00 0.00 175.10 171.77 3hwx s HIS 496 N -3.71 1.76 -0.77 1.54 3.76 -1.26 -4.99 115.29 111.61 3hwx s HIS 496 Ca 0.36 -1.46 0.08 0.00 -0.15 0.00 0.00 55.06 53.89 3hwx s HIS 496 Cb 0.08 -0.95 0.19 0.00 1.11 0.00 0.00 32.58 33.01 3hwx s HIS 496 CO 0.13 -0.57 1.09 1.19 -0.85 0.00 0.00 174.74 175.73 3hwx n PHE 497 N -0.78 0.27 0.03 1.40 3.01 -1.26 -4.69 117.46 115.44 3hwx n PHE 497 Ca -0.00 -0.38 -0.10 0.00 1.01 0.00 0.00 57.45 57.97 3hwx n PHE 497 Cb 0.64 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 40.05 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 1.54 -0.28 -0.14 -1.08 4.81 -1.98 -0.88 114.58 116.57 3hwx h GLU 498 Ca 0.00 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 3hwx h GLU 498 Cb 0.60 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3hwx h GLU 498 CO 0.00 -0.19 -0.51 0.45 -0.73 0.00 0.00 179.01 178.04 3hwx h HIS 499 N -0.29 0.48 -0.08 0.92 3.86 -1.98 -1.04 115.15 117.02 3hwx h HIS 499 Ca 0.08 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3hwx h HIS 499 Cb 0.40 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3hwx h HIS 499 CO -0.28 0.82 -0.11 0.00 0.86 0.00 0.00 177.93 179.22 3hwx h ALA 500 N 1.15 -0.05 -0.01 2.45 0.00 -1.71 -0.85 119.26 120.25 3hwx h ALA 500 Ca 0.01 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3hwx h ALA 500 Cb 1.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3hwx h ALA 500 CO 0.09 -0.57 -0.63 0.00 0.00 0.00 0.00 179.25 178.13 3hwx h ALA 501 N 0.91 0.94 0.00 0.00 0.00 -0.99 -2.62 119.26 117.50 3hwx h ALA 501 Ca 0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3hwx h ALA 501 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hwx h ALA 501 CO -0.17 0.78 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 3hwx h ALA 502 N 1.34 1.22 -0.18 0.00 0.00 -0.79 0.77 119.26 121.62 3hwx h ALA 502 Ca -0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3hwx h ALA 502 Cb 1.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hwx h ALA 502 CO 0.08 0.26 -0.63 1.98 0.00 0.00 0.00 179.25 180.94 3hwx h MET 503 N 0.00 0.75 -0.67 0.00 -1.53 -0.76 -3.09 114.93 109.63 3hwx h MET 503 Ca -0.00 -0.56 0.00 0.00 -3.44 0.00 0.00 59.70 55.69 3hwx h MET 503 Cb 0.53 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.68 3hwx h MET 503 CO 0.03 1.18 0.00 1.19 0.14 0.00 0.00 176.91 179.45 3hwx n PHE 504 N -4.04 0.89 -3.72 1.39 3.72 -1.19 -4.93 117.46 109.58 3hwx n PHE 504 Ca -0.07 -0.44 -0.24 0.00 -0.05 0.00 0.00 57.45 56.65 3hwx n PHE 504 Cb 0.67 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.25 3hwx n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hwx n GLU 505 N 1.45 -5.81 -3.52 -1.08 1.02 -1.00 -4.84 120.64 106.86 3hwx n GLU 505 Ca 0.22 0.67 -0.31 0.00 -0.02 0.00 0.00 57.16 57.73 3hwx n GLU 505 Cb 0.56 -5.48 -0.04 0.00 -0.02 0.00 0.00 31.44 26.46 3hwx n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hwx s LEU 506 N -6.94 4.18 0.51 -4.62 1.43 0.26 -5.00 118.68 108.52 3hwx s LEU 506 Ca 0.31 0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 53.91 3hwx s LEU 506 Cb -0.15 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 3hwx s LEU 506 CO 0.80 -0.05 1.17 -0.54 0.23 0.00 0.00 176.35 177.96 3hwx s LYS 507 N -2.97 3.47 -0.07 1.70 3.01 -1.25 -4.28 119.74 119.35 3hwx s LYS 507 Ca 0.43 1.77 -0.06 0.00 -1.01 0.00 0.00 55.97 57.10 3hwx s LYS 507 Cb -0.11 -2.20 0.02 0.00 -1.01 0.00 0.00 37.83 34.53 3hwx s LYS 507 CO 0.25 -0.79 0.19 -0.47 0.51 0.00 0.00 175.35 175.05 3hwx s TYR 508 N -1.60 -0.22 0.09 3.18 5.04 -1.26 -0.13 117.35 122.44 3hwx s TYR 508 Ca 0.69 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 3hwx s TYR 508 Cb -0.28 0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.05 3hwx s TYR 508 CO 0.33 -0.12 -0.09 -1.01 -1.34 0.00 0.00 175.55 173.31 3hwx s HIS 509 N 0.36 0.96 -0.54 4.97 3.76 -0.78 -5.00 115.29 119.02 3hwx s HIS 509 Ca -0.02 -0.67 0.04 0.00 -0.15 0.00 0.00 55.06 54.26 3hwx s HIS 509 Cb -0.04 -0.54 0.14 0.00 1.11 0.00 0.00 32.58 33.26 3hwx s HIS 509 CO -0.02 -0.04 0.31 0.50 -0.85 0.00 0.00 174.74 174.64 3hwx s ARG 510 N -2.71 1.93 -0.02 1.40 3.52 -1.26 -1.82 118.95 119.99 3hwx s ARG 510 Ca 0.03 -2.66 -0.30 0.00 -0.13 0.00 0.00 55.73 52.67 3hwx s ARG 510 Cb -0.03 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 3hwx s ARG 510 CO -0.01 -1.17 1.03 -1.25 -0.81 0.00 0.00 175.30 173.10 3hwx s PRO 511 N -0.43 4.49 0.05 5.12 0.04 -1.23 -4.96 135.00 138.09 3hwx s PRO 511 Ca 0.19 1.48 0.23 0.00 0.04 0.00 0.00 61.00 62.95 3hwx s PRO 511 Cb -0.20 -3.47 0.18 0.00 0.04 0.00 0.00 34.50 31.05 3hwx s PRO 511 CO -0.04 -0.18 1.16 1.04 0.04 0.00 0.00 177.00 179.01 3hwx n GLN 512 N 4.30 0.21 -3.37 4.56 1.13 -1.26 -4.76 117.38 118.18 3hwx n GLN 512 Ca 0.07 0.01 -0.05 0.00 -1.94 0.00 0.00 57.00 55.10 3hwx n GLN 512 Cb 0.49 -1.58 0.02 0.00 0.11 0.00 0.00 30.24 29.28 3hwx n GLN 512 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3hwx n ASN 513 N -1.86 -1.64 -0.21 1.08 0.23 -1.26 -5.04 115.26 106.56 3hwx n ASN 513 Ca 0.03 -2.00 -0.03 0.00 -0.53 0.00 0.00 54.58 52.05 3hwx n ASN 513 Cb 0.41 2.70 0.16 0.00 -2.08 0.00 0.00 39.78 40.97 3hwx n ASN 513 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 3hwx h TRP 514 N 1.81 1.02 -0.22 -2.53 4.06 -1.95 -1.89 115.95 116.25 3hwx h TRP 514 Ca -0.25 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.55 3hwx h TRP 514 Cb 1.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 3hwx h TRP 514 CO 0.00 0.76 -0.28 1.96 -3.56 0.00 0.00 178.44 177.32 3hwx h GLN 515 N 1.00 0.43 0.03 0.49 4.20 -1.98 0.04 115.11 119.31 3hwx h GLN 515 Ca 0.24 -0.17 -0.26 0.00 0.06 0.00 0.00 58.65 58.51 3hwx h GLN 515 Cb 0.16 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.94 3hwx h GLN 515 CO -0.02 0.68 -1.07 0.93 -0.67 0.00 0.00 178.83 178.67 3hwx h GLU 516 N 0.38 0.59 -0.66 1.46 5.08 -1.93 -2.61 114.58 116.90 3hwx h GLU 516 Ca 0.05 -0.68 0.05 0.00 -1.00 0.00 0.00 59.36 57.79 3hwx h GLU 516 Cb 0.69 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 3hwx h GLU 516 CO 0.05 1.28 0.37 1.25 -1.00 0.00 0.00 179.01 180.96 3hwx h LEU 517 N 0.31 0.55 -0.50 1.33 5.85 -1.16 0.20 115.31 121.90 3hwx h LEU 517 Ca -0.13 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 3hwx h LEU 517 Cb 1.73 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 3hwx h LEU 517 CO 0.20 0.36 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.87 3hwx h GLU 518 N 0.69 0.00 0.03 1.25 5.08 -0.99 -1.95 114.58 118.69 3hwx h GLU 518 Ca 0.29 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 3hwx h GLU 518 Cb 0.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.43 3hwx h GLU 518 CO -0.17 0.47 -0.79 1.15 -1.00 0.00 0.00 179.01 178.66 3hwx h THR 519 N 0.00 1.39 -0.34 1.13 2.02 -1.06 -2.27 112.91 113.79 3hwx h THR 519 Ca -0.00 -2.21 0.07 0.00 0.77 0.00 0.00 66.41 65.04 3hwx h THR 519 Cb 1.15 2.64 -0.08 0.00 -1.74 0.00 0.00 68.15 70.12 3hwx h THR 519 CO 0.06 0.65 -0.26 0.00 0.37 0.00 0.00 175.52 176.34 3hwx h ALA 520 N 0.30 -0.09 -0.59 6.16 0.00 -0.37 0.40 119.26 125.07 3hwx h ALA 520 Ca -0.11 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hwx h ALA 520 Cb 1.50 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 3hwx h ALA 520 CO 0.15 -0.66 0.39 0.74 0.00 0.00 0.00 179.25 179.87 3hwx h PHE 521 N -0.22 0.73 -0.43 0.00 0.04 -1.40 0.49 116.94 116.15 3hwx h PHE 521 Ca 0.17 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3hwx h PHE 521 Cb 0.48 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3hwx h PHE 521 CO -0.46 0.45 0.19 0.00 -0.60 0.00 0.00 178.31 177.90 3hwx h ALA 522 N 1.22 1.54 -0.42 2.45 0.00 -1.10 -2.10 119.26 120.85 3hwx h ALA 522 Ca 0.22 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3hwx h ALA 522 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hwx h ALA 522 CO -0.06 0.37 -0.10 0.22 0.00 0.00 0.00 179.25 179.68 3hwx h ASP 523 N 0.60 0.82 0.12 0.00 3.58 -0.40 -3.36 116.42 117.78 3hwx h ASP 523 Ca 0.15 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 3hwx h ASP 523 Cb 0.09 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3hwx h ASP 523 CO -0.02 1.00 -0.06 0.00 -2.88 0.00 0.00 179.24 177.28 3hwx h ALA 524 N 0.86 -0.16 0.00 -0.78 0.00 -0.71 -3.12 119.26 115.35 3hwx h ALA 524 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hwx h ALA 524 Cb 0.64 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hwx h ALA 524 CO 0.04 -0.31 0.00 0.91 0.00 0.00 0.00 179.25 179.89 3hwx n TRP 525 N -4.92 0.00 0.11 0.00 5.03 -0.81 -2.83 117.44 114.02 3hwx n TRP 525 Ca -0.08 0.00 -0.00 0.00 3.03 0.00 0.00 57.50 60.44 3hwx n TRP 525 Cb 0.27 -0.11 -0.02 0.00 -1.03 0.00 0.00 31.31 30.42 3hwx n TRP 525 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3hwx h ARG 526 N 0.00 0.00 -4.99 -0.99 3.08 -1.69 -3.46 114.38 106.33 3hwx h ARG 526 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3hwx h ARG 526 Cb 0.01 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.82 3hwx h ARG 526 CO 0.00 0.64 -0.77 0.95 -1.07 0.00 0.00 179.97 179.72 3hwx s THR 527 N -2.88 0.87 -1.03 2.04 -4.23 -1.13 -5.04 115.64 104.24 3hwx s THR 527 Ca 0.03 -0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 3hwx s THR 527 Cb 0.08 -0.83 -0.08 0.00 1.34 0.00 0.00 72.50 73.02 3hwx s THR 527 CO 0.77 -0.12 2.18 -2.65 -0.54 0.00 0.00 174.62 174.25 3hwx n PRO 528 N 1.81 2.21 -4.19 3.99 -0.02 -1.26 -3.83 135.00 133.71 3hwx n PRO 528 Ca -0.19 -1.83 -0.13 0.00 -2.02 0.00 0.00 63.50 59.33 3hwx n PRO 528 Cb 0.55 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.17 3hwx n PRO 528 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hwx s THR 529 N 3.73 0.89 0.18 3.45 -4.23 -1.26 -4.55 115.64 113.84 3hwx s THR 529 Ca 0.50 -1.85 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 3hwx s THR 529 Cb 0.13 -1.59 -0.08 0.00 1.34 0.00 0.00 72.50 72.30 3hwx s THR 529 CO 0.00 -0.73 1.24 -0.89 -0.54 0.00 0.00 174.62 173.71 3hwx s THR 530 N -3.10 3.48 -0.06 3.99 2.01 -1.25 -2.11 115.64 118.59 3hwx s THR 530 Ca 0.10 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.37 3hwx s THR 530 Cb 0.01 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3hwx s THR 530 CO -0.02 0.18 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.95 3hwx s THR 531 N 0.14 2.04 -0.24 -0.82 2.01 0.08 -3.93 115.64 114.92 3hwx s THR 531 Ca 0.55 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 3hwx s THR 531 Cb -0.34 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 3hwx s THR 531 CO 0.36 0.57 0.16 -0.69 -0.69 0.00 0.00 174.62 174.33 3hwx s VAL 532 N -0.18 5.36 -0.19 3.82 1.01 0.81 -1.02 120.40 130.01 3hwx s VAL 532 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3hwx s VAL 532 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3hwx s VAL 532 CO 0.03 0.35 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 3hwx s ILE 533 N 1.06 2.78 -0.26 2.22 1.01 0.68 -1.86 121.20 126.82 3hwx s ILE 533 Ca 0.08 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3hwx s ILE 533 Cb -0.13 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3hwx s ILE 533 CO 0.04 0.48 0.07 -0.70 0.00 0.00 0.00 174.94 174.84 3hwx s GLU 534 N 1.29 3.50 -0.39 2.79 2.12 -0.76 -0.76 118.70 126.49 3hwx s GLU 534 Ca 0.04 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 54.65 3hwx s GLU 534 Cb -0.14 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.94 3hwx s GLU 534 CO -0.06 -0.26 0.26 1.41 -0.54 0.00 0.00 175.26 176.07 3hwx s MET 535 N 1.58 2.98 -0.24 4.30 -2.45 -0.05 -3.53 119.30 121.89 3hwx s MET 535 Ca 0.05 -1.00 -0.18 0.00 -1.25 0.00 0.00 55.69 53.32 3hwx s MET 535 Cb -0.16 -3.88 -0.03 0.00 1.25 0.00 0.00 34.83 32.01 3hwx s MET 535 CO 0.03 -0.70 0.50 0.08 1.05 0.00 0.00 175.02 175.97 3hwx s VAL 536 N 1.64 5.10 0.40 10.11 1.01 -1.26 0.12 120.40 137.52 3hwx s VAL 536 Ca 0.04 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3hwx s VAL 536 Cb -0.19 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3hwx s VAL 536 CO 0.09 0.12 0.10 1.33 0.00 0.00 0.00 175.10 176.75 3hwx n VAL 537 N 4.95 0.00 -3.05 2.92 0.24 -0.59 -4.95 118.33 117.84 3hwx n VAL 537 Ca -0.05 -1.79 -0.41 0.00 -2.04 0.00 0.00 64.34 60.05 3hwx n VAL 537 Cb 0.50 0.20 -0.06 0.00 -1.47 0.00 0.00 33.84 33.02 3hwx n VAL 537 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3hwx s ASN 538 N -3.25 6.60 0.00 -1.34 0.01 -1.26 -4.68 114.94 111.02 3hwx s ASN 538 Ca 0.08 0.64 0.00 0.00 -0.71 0.00 0.00 52.86 52.87 3hwx s ASN 538 Cb -0.01 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3hwx s ASN 538 CO 0.05 -0.48 0.05 -0.90 -1.51 0.00 0.00 177.10 174.31 3hwx n ASP 539 N 5.91 0.00 0.00 -1.22 5.68 -1.26 -1.23 116.55 124.43 3hwx n ASP 539 Ca 0.01 0.05 0.11 0.00 -0.50 0.00 0.00 54.79 54.45 3hwx n ASP 539 Cb 0.49 -0.01 0.50 0.00 -1.14 0.00 0.00 41.12 40.96 3hwx n ASP 539 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hwx n THR 540 N -0.74 0.42 -0.16 2.12 -2.24 -1.26 -4.06 114.28 108.37 3hwx n THR 540 Ca 0.00 0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.85 3hwx n THR 540 Cb 0.00 -0.74 0.03 0.00 -2.10 0.00 0.00 70.33 67.53 3hwx n THR 540 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwx h ASP 541 N 0.00 -0.58 -0.98 3.42 5.19 -1.59 -1.80 116.42 120.09 3hwx h ASP 541 Ca 0.00 0.16 0.12 0.00 -0.62 0.00 0.00 57.03 56.69 3hwx h ASP 541 Cb 0.30 0.35 -0.08 0.00 0.18 0.00 0.00 39.33 40.08 3hwx h ASP 541 CO 0.00 -0.20 0.60 1.23 -3.12 0.00 0.00 179.24 177.76 3hwx h GLY 542 N -0.05 1.59 1.30 2.75 0.00 -1.75 -1.74 103.07 105.17 3hwx h GLY 542 Ca 0.24 -0.41 -0.29 0.00 0.00 0.00 0.00 47.33 46.87 3hwx h GLY 542 CO -0.54 0.15 -1.48 0.00 0.00 0.00 0.00 176.54 174.67 3hwx h ALA 543 N 1.53 0.36 -0.43 3.60 0.00 -1.71 -3.20 119.26 119.40 3hwx h ALA 543 Ca 0.48 -1.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 3hwx h ALA 543 Cb 0.47 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hwx h ALA 543 CO -0.26 1.22 -0.23 1.96 0.00 0.00 0.00 179.25 181.94 3hwx h GLN 544 N 0.05 0.92 -0.96 0.00 4.20 -1.24 -0.55 115.11 117.54 3hwx h GLN 544 Ca -0.22 -0.41 0.11 0.00 0.06 0.00 0.00 58.65 58.19 3hwx h GLN 544 Cb 1.98 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.66 3hwx h GLN 544 CO 0.14 1.07 0.61 1.15 -0.67 0.00 0.00 178.83 181.14 3hwx h THR 545 N 0.76 0.96 -0.06 -0.54 2.02 -1.39 -0.62 112.91 114.03 3hwx h THR 545 Ca 0.09 -0.33 -0.23 0.00 0.77 0.00 0.00 66.41 66.71 3hwx h THR 545 Cb 0.81 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3hwx h THR 545 CO 0.07 0.18 -0.89 0.25 0.37 0.00 0.00 175.52 175.50 3hwx h LEU 546 N 0.97 0.75 0.32 2.58 5.85 -1.46 -1.10 115.31 123.22 3hwx h LEU 546 Ca 0.46 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3hwx h LEU 546 Cb 0.43 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hwx h LEU 546 CO -0.22 1.34 -0.15 1.56 -0.34 0.00 0.00 178.44 180.63 3hwx h GLN 547 N 0.38 -0.41 -0.86 1.25 4.20 -0.66 -0.98 115.11 118.03 3hwx h GLN 547 Ca -0.08 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.80 3hwx h GLN 547 Cb 1.52 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 29.30 3hwx h GLN 547 CO 0.17 -0.25 0.46 1.96 -0.67 0.00 0.00 178.83 180.49 3hwx h GLN 548 N -0.46 0.65 -0.00 1.46 4.20 -1.04 -1.98 115.11 117.94 3hwx h GLN 548 Ca -0.04 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 3hwx h GLN 548 Cb 0.35 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3hwx h GLN 548 CO 0.07 0.43 -0.88 -0.07 -0.67 0.00 0.00 178.83 177.71 3hwx h LEU 549 N 0.67 0.36 0.14 1.46 3.38 -0.98 -1.48 115.31 118.85 3hwx h LEU 549 Ca 0.46 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hwx h LEU 549 Cb 0.61 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hwx h LEU 549 CO -0.34 1.08 -0.07 0.25 0.09 0.00 0.00 178.44 179.45 3hwx h LEU 550 N 0.16 -0.15 -0.89 1.67 7.12 -0.43 -0.93 115.31 121.86 3hwx h LEU 550 Ca -0.05 -0.17 0.07 0.00 0.13 0.00 0.00 57.88 57.86 3hwx h LEU 550 Cb 1.50 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 41.61 3hwx h LEU 550 CO 0.14 0.08 0.56 0.00 -0.13 0.00 0.00 178.44 179.09 3hwx h ALA 551 N 0.44 1.25 0.17 1.25 0.00 -1.49 0.40 119.26 121.27 3hwx h ALA 551 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hwx h ALA 551 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hwx h ALA 551 CO 0.03 0.29 -0.20 0.37 0.00 0.00 0.00 179.25 179.73 3hwx h GLN 552 N 0.99 -0.41 0.00 0.00 4.15 -0.73 -1.39 115.11 117.73 3hwx h GLN 552 Ca 0.40 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.81 3hwx h GLN 552 Cb 0.22 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3hwx h GLN 552 CO -0.19 -0.27 -0.18 0.28 -1.93 0.00 0.00 178.83 176.54 3hwx h VAL 553 N -0.42 0.50 0.00 2.39 2.07 -1.04 -3.18 116.25 116.57 3hwx h VAL 553 Ca 0.01 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3hwx h VAL 553 Cb 0.41 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3hwx h VAL 553 CO -0.07 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.15 3hwx n SER 554 N -3.42 0.00 0.00 0.57 3.41 0.14 -3.05 113.62 111.27 3hwx n SER 554 Ca -0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 3hwx n SER 554 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3hwx n SER 554 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hwx n HIS 555 N -0.63 0.00 0.74 7.33 -0.00 -1.18 -4.68 115.22 116.81 3hwx n HIS 555 Ca 0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.83 3hwx n HIS 555 Cb 0.02 0.00 0.35 0.00 -0.00 0.00 0.00 29.99 30.36 3hwx n HIS 555 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62