#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhw s ILE 2 N 0.00 5.06 -0.04 2.02 2.07 -1.24 -3.29 121.20 125.78 3dhw s ILE 2 Ca 0.00 0.69 0.02 0.00 -1.41 0.00 0.00 60.65 59.95 3dhw s ILE 2 Cb 0.00 -3.85 0.01 0.00 0.13 0.00 0.00 42.46 38.75 3dhw s ILE 2 CO 0.00 0.01 -0.10 -0.75 -1.91 0.00 0.00 174.94 172.19 3dhw s LYS 3 N 2.31 1.20 -0.05 3.50 2.20 0.01 -1.86 119.74 127.06 3dhw s LYS 3 Ca 0.20 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 3dhw s LYS 3 Cb -0.16 -1.08 -0.01 0.00 -1.51 0.00 0.00 37.83 35.07 3dhw s LYS 3 CO 0.11 0.08 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.41 3dhw s LEU 4 N 0.40 2.06 -0.05 5.43 1.43 0.87 -1.03 118.68 127.80 3dhw s LEU 4 Ca -0.07 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3dhw s LEU 4 Cb -0.12 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.78 3dhw s LEU 4 CO 0.01 0.26 -0.00 -0.55 0.23 0.00 0.00 176.35 176.30 3dhw s SER 5 N -0.27 0.93 -1.38 2.29 0.15 -1.18 -1.00 113.70 113.23 3dhw s SER 5 Ca -0.00 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 3dhw s SER 5 Cb -0.13 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 3dhw s SER 5 CO 0.02 -0.13 0.51 0.59 1.20 0.00 0.00 173.24 175.44 3dhw n ASN 6 N 4.51 -0.66 -4.59 5.45 3.02 -1.05 -2.78 115.26 119.15 3dhw n ASN 6 Ca -0.19 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 3dhw n ASN 6 Cb 0.50 -3.36 -0.02 0.00 -0.61 0.00 0.00 39.78 36.29 3dhw n ASN 6 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dhw s ILE 7 N -3.86 4.13 -0.11 2.41 1.01 0.31 -3.17 121.20 121.93 3dhw s ILE 7 Ca 0.02 1.10 0.04 0.00 0.00 0.00 0.00 60.65 61.81 3dhw s ILE 7 Cb -0.01 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 37.80 3dhw s ILE 7 CO 0.87 -1.14 -0.24 -0.89 0.00 0.00 0.00 174.94 173.54 3dhw s THR 8 N 4.65 2.08 -0.01 2.92 2.01 -0.68 -2.41 115.64 124.20 3dhw s THR 8 Ca 0.46 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3dhw s THR 8 Cb -0.07 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 3dhw s THR 8 CO 0.30 0.56 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.95 3dhw s LYS 9 N 0.41 0.70 -0.01 4.92 2.20 -0.30 -0.62 119.74 127.04 3dhw s LYS 9 Ca -0.17 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3dhw s LYS 9 Cb -0.18 -0.67 -0.01 0.00 -1.51 0.00 0.00 37.83 35.46 3dhw s LYS 9 CO 0.07 0.18 -0.13 0.54 -0.36 0.00 0.00 175.35 175.66 3dhw s VAL 10 N -0.23 1.03 -0.21 4.02 0.11 -1.26 -1.36 120.40 122.50 3dhw s VAL 10 Ca 0.03 -0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 58.42 3dhw s VAL 10 Cb -0.03 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3dhw s VAL 10 CO -0.00 0.29 0.14 -0.36 -3.33 0.00 0.00 175.10 171.84 3dhw s PHE 11 N -0.30 3.39 -0.34 1.54 0.40 0.11 -4.91 117.98 117.87 3dhw s PHE 11 Ca 0.05 0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.62 3dhw s PHE 11 Cb -0.05 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.34 3dhw s PHE 11 CO -0.00 0.23 0.10 -1.58 0.70 0.00 0.00 175.22 174.67 3dhw s HIS 12 N 0.53 3.27 0.15 0.36 2.46 -1.26 -0.82 115.29 119.98 3dhw s HIS 12 Ca 0.08 -1.50 -0.09 0.00 0.47 0.00 0.00 55.06 54.01 3dhw s HIS 12 Cb -0.12 -2.31 -0.00 0.00 -0.13 0.00 0.00 32.58 30.02 3dhw s HIS 12 CO -0.00 -0.75 1.49 1.96 -2.47 0.00 0.00 174.74 174.97 3dhw h GLN 13 N 8.20 0.89 0.00 2.88 1.08 -1.72 -3.49 115.11 122.95 3dhw h GLN 13 Ca -0.23 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 3dhw h GLN 13 Cb 1.08 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3dhw h GLN 13 CO 0.60 1.11 0.00 0.41 -0.95 0.00 0.00 178.83 180.01 3dhw n GLY 14 N 0.11 2.23 0.21 3.46 0.00 -1.26 -4.77 105.19 105.17 3dhw n GLY 14 Ca -0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 3dhw n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dhw h THR 15 N 0.00 1.32 -3.70 2.61 1.35 -2.01 -3.45 112.91 109.03 3dhw h THR 15 Ca 0.00 -1.65 -0.68 0.00 -0.55 0.00 0.00 66.41 63.52 3dhw h THR 15 Cb 0.00 1.70 -0.19 0.00 -1.73 0.00 0.00 68.15 67.93 3dhw h THR 15 CO 0.00 0.51 -0.71 -0.13 -0.25 0.00 0.00 175.52 174.94 3dhw s ARG 16 N -4.10 2.65 -0.22 4.72 1.81 -1.26 -5.12 118.95 117.43 3dhw s ARG 16 Ca -0.06 -0.62 -0.04 0.00 -1.72 0.00 0.00 55.73 53.29 3dhw s ARG 16 Cb 0.12 -2.53 -0.01 0.00 -0.45 0.00 0.00 34.95 32.08 3dhw s ARG 16 CO 0.81 0.64 -0.04 0.99 -0.68 0.00 0.00 175.30 177.01 3dhw s THR 17 N -0.86 3.38 -0.10 0.02 2.01 -1.26 -1.63 115.64 117.20 3dhw s THR 17 Ca 0.14 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.69 3dhw s THR 17 Cb -0.11 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 3dhw s THR 17 CO 0.03 0.43 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.52 3dhw s ILE 18 N 1.41 2.07 -0.17 1.82 1.01 -0.00 -5.01 121.20 122.33 3dhw s ILE 18 Ca 0.05 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.40 3dhw s ILE 18 Cb -0.14 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3dhw s ILE 18 CO -0.03 0.56 0.95 -1.10 0.00 0.00 0.00 174.94 175.33 3dhw s GLN 19 N 0.33 4.33 0.00 2.79 -1.52 -1.26 0.08 119.66 124.40 3dhw s GLN 19 Ca -0.18 1.25 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 3dhw s GLN 19 Cb -0.18 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.03 3dhw s GLN 19 CO 0.09 -0.42 0.00 0.00 -0.25 0.00 0.00 175.29 174.71 3dhw n ALA 20 N 5.49 0.00 -2.69 6.09 0.00 -0.46 -4.89 120.51 124.05 3dhw n ALA 20 Ca 0.08 -0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 3dhw n ALA 20 Cb 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 3dhw n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dhw s LEU 21 N -2.03 2.06 -0.24 0.00 1.43 -0.48 -4.16 118.68 115.26 3dhw s LEU 21 Ca 0.00 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3dhw s LEU 21 Cb 0.00 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.89 3dhw s LEU 21 CO 0.00 0.25 -0.09 0.21 0.23 0.00 0.00 176.35 176.95 3dhw s ASN 22 N -0.22 4.20 -1.29 2.29 3.84 -0.31 -1.15 114.94 122.30 3dhw s ASN 22 Ca -0.02 -1.00 -0.16 0.00 0.21 0.00 0.00 52.86 51.89 3dhw s ASN 22 Cb -0.13 -1.61 0.01 0.00 -0.55 0.00 0.00 41.25 38.97 3dhw s ASN 22 CO 0.03 -0.13 0.55 0.59 -2.79 0.00 0.00 177.10 175.35 3dhw n ASN 23 N 4.60 -2.73 -4.71 -4.21 3.02 -1.22 -4.62 115.26 105.39 3dhw n ASN 23 Ca -0.16 -1.13 -0.35 0.00 -0.03 0.00 0.00 54.58 52.90 3dhw n ASN 23 Cb 0.46 -2.57 -0.08 0.00 -0.61 0.00 0.00 39.78 36.98 3dhw n ASN 23 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dhw s VAL 24 N -3.75 5.37 -0.19 2.41 -7.23 -1.01 -4.68 120.40 111.32 3dhw s VAL 24 Ca 0.28 0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.61 3dhw s VAL 24 Cb -0.13 -3.46 -0.00 0.00 0.56 0.00 0.00 36.38 33.35 3dhw s VAL 24 CO 0.92 0.42 -0.10 -0.44 -0.31 0.00 0.00 175.10 175.59 3dhw s SER 25 N 0.50 3.97 -0.05 4.85 0.01 -1.26 -0.53 113.70 121.18 3dhw s SER 25 Ca 0.08 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3dhw s SER 25 Cb -0.12 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.49 3dhw s SER 25 CO -0.01 0.04 -0.04 -0.22 0.41 0.00 0.00 173.24 173.42 3dhw s LEU 26 N 1.12 1.19 -0.35 2.44 2.96 -0.17 -4.96 118.68 120.91 3dhw s LEU 26 Ca 0.01 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 3dhw s LEU 26 Cb -0.14 -0.48 0.03 0.00 0.50 0.00 0.00 46.19 46.09 3dhw s LEU 26 CO -0.03 -0.08 0.13 -2.28 -1.32 0.00 0.00 176.35 172.78 3dhw s HIS 27 N 1.15 3.24 -0.28 5.38 5.65 -1.26 -0.09 115.29 129.08 3dhw s HIS 27 Ca -0.07 -1.25 -0.03 0.00 0.25 0.00 0.00 55.06 53.96 3dhw s HIS 27 Cb -0.14 -2.32 0.03 0.00 -1.18 0.00 0.00 32.58 28.97 3dhw s HIS 27 CO -0.01 -0.69 -0.00 0.08 -0.65 0.00 0.00 174.74 173.46 3dhw s VAL 28 N 1.46 3.16 -0.02 0.89 1.01 -0.78 -5.07 120.40 121.05 3dhw s VAL 28 Ca -0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 3dhw s VAL 28 Cb -0.19 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 3dhw s VAL 28 CO 0.04 0.03 1.54 -2.16 0.00 0.00 0.00 175.10 174.55 3dhw s PRO 29 N 1.33 4.22 0.54 2.72 0.04 -1.26 -2.42 135.00 140.16 3dhw s PRO 29 Ca -0.02 2.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 3dhw s PRO 29 Cb -0.18 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.51 3dhw s PRO 29 CO -0.01 -0.73 0.76 0.00 0.04 0.00 0.00 177.00 177.05 3dhw n ALA 30 N 6.26 -0.51 -1.00 8.56 0.00 -1.26 -1.44 120.51 131.12 3dhw n ALA 30 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3dhw n ALA 30 Cb 0.43 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3dhw n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 31 N 1.52 0.47 3.28 0.00 0.00 -1.26 -4.98 105.19 104.22 3dhw n GLY 31 Ca 0.12 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 3dhw n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhw s GLN 32 N -0.51 1.15 -0.33 1.61 -0.21 -0.52 -4.95 119.66 115.90 3dhw s GLN 32 Ca 0.00 -1.43 -0.11 0.00 0.02 0.00 0.00 55.36 53.84 3dhw s GLN 32 Cb 0.00 -0.91 -0.01 0.00 1.00 0.00 0.00 33.01 33.09 3dhw s GLN 32 CO 0.00 0.15 0.19 0.42 -2.12 0.00 0.00 175.29 173.93 3dhw s ILE 33 N -2.79 4.84 -0.17 1.08 1.01 -1.25 -0.55 121.20 123.38 3dhw s ILE 33 Ca 0.16 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3dhw s ILE 33 Cb -0.01 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3dhw s ILE 33 CO 0.04 0.00 0.01 -0.47 0.00 0.00 0.00 174.94 174.52 3dhw s TYR 34 N 1.65 3.14 -0.15 3.97 6.14 0.20 -0.82 117.35 131.48 3dhw s TYR 34 Ca 0.05 -0.10 -0.05 0.00 0.64 0.00 0.00 57.07 57.61 3dhw s TYR 34 Cb -0.17 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.15 3dhw s TYR 34 CO 0.08 0.07 0.02 0.20 0.64 0.00 0.00 175.55 176.55 3dhw s GLY 35 N 0.35 1.84 -0.24 8.97 0.00 0.20 0.75 107.32 119.19 3dhw s GLY 35 Ca -0.00 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3dhw s GLY 35 CO 0.01 -0.12 -0.13 0.14 0.00 0.00 0.00 173.10 173.01 3dhw s VAL 36 N 0.08 2.21 0.16 1.40 1.01 0.23 0.28 120.40 125.77 3dhw s VAL 36 Ca 0.03 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 60.68 3dhw s VAL 36 Cb -0.13 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3dhw s VAL 36 CO 0.02 0.13 -0.16 -0.51 0.00 0.00 0.00 175.10 174.58 3dhw s ILE 37 N 1.17 1.63 -0.03 2.22 2.07 0.28 -1.69 121.20 126.85 3dhw s ILE 37 Ca -0.05 -1.92 -0.29 0.00 -1.41 0.00 0.00 60.65 56.99 3dhw s ILE 37 Cb -0.18 -1.79 0.10 0.00 0.13 0.00 0.00 42.46 40.72 3dhw s ILE 37 CO -0.07 -0.41 1.30 -0.83 -1.91 0.00 0.00 174.94 173.02 3dhw s GLY 38 N -2.74 -0.17 0.74 1.50 0.00 -1.25 -1.01 107.32 104.39 3dhw s GLY 38 Ca 0.15 0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.83 3dhw s GLY 38 CO 0.05 5.23 0.40 0.00 0.00 0.00 0.00 173.10 178.78 3dhw n ALA 39 N -0.87 -1.91 -2.19 3.20 0.00 -0.87 -4.78 120.51 113.09 3dhw n ALA 39 Ca 0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3dhw n ALA 39 Cb 0.59 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 3dhw n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dhw s SER 40 N -1.45 6.84 -0.81 0.00 0.01 -1.26 -3.10 113.70 113.93 3dhw s SER 40 Ca 0.63 2.27 -0.02 0.00 1.31 0.00 0.00 55.95 60.14 3dhw s SER 40 Cb -0.34 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.31 3dhw s SER 40 CO 0.61 -0.67 0.25 0.61 0.41 0.00 0.00 173.24 174.45 3dhw n GLY 41 N 3.54 0.05 1.15 3.44 0.00 -1.26 -4.95 105.19 107.15 3dhw n GLY 41 Ca 0.12 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3dhw n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw n ALA 42 N -2.47 2.82 -0.53 4.61 0.00 -1.18 -4.95 120.51 118.81 3dhw n ALA 42 Ca -0.07 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3dhw n ALA 42 Cb 0.57 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3dhw n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 43 N 0.51 0.70 0.27 0.00 0.00 -1.26 -3.29 105.19 102.12 3dhw n GLY 43 Ca 0.21 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3dhw n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dhw h LYS 44 N 1.20 0.12 0.14 1.61 -0.00 -1.92 -2.96 116.57 114.75 3dhw h LYS 44 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.65 60.64 3dhw h LYS 44 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 32.23 32.20 3dhw h LYS 44 CO 0.00 0.09 -0.09 0.77 -0.00 0.00 0.00 179.45 180.22 3dhw h SER 45 N 0.12 -0.22 -0.96 7.07 0.02 -1.99 -2.19 113.55 115.42 3dhw h SER 45 Ca 0.03 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3dhw h SER 45 Cb 0.00 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 3dhw h SER 45 CO -0.01 -0.14 0.58 0.74 -1.14 0.00 0.00 176.83 176.86 3dhw h THR 46 N -0.22 1.26 -0.39 -2.27 2.02 -1.93 -3.26 112.91 108.12 3dhw h THR 46 Ca -0.01 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3dhw h THR 46 Cb 0.19 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3dhw h THR 46 CO 0.01 0.27 0.26 0.25 0.37 0.00 0.00 175.52 176.68 3dhw h LEU 47 N 1.32 0.45 -1.01 2.58 5.85 -1.38 -1.38 115.31 121.74 3dhw h LEU 47 Ca 0.34 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.06 3dhw h LEU 47 Cb -0.07 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3dhw h LEU 47 CO -0.07 0.33 0.66 0.40 -0.34 0.00 0.00 178.44 179.42 3dhw h ILE 48 N 0.53 1.26 -0.79 4.05 1.08 -1.58 -0.34 117.51 121.73 3dhw h ILE 48 Ca 0.14 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3dhw h ILE 48 Cb -0.06 -0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 33.43 3dhw h ILE 48 CO -0.03 0.25 0.51 0.03 -0.69 0.00 0.00 178.15 178.22 3dhw h ARG 49 N 1.36 1.04 0.00 2.37 3.08 -1.46 -2.73 114.38 118.05 3dhw h ARG 49 Ca 0.37 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3dhw h ARG 49 Cb -0.15 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.67 3dhw h ARG 49 CO -0.08 0.70 -0.01 0.00 -1.07 0.00 0.00 179.97 179.52 3dhw h VAL 51 N 0.00 1.25 -0.44 0.00 2.07 -1.50 -1.95 116.25 115.69 3dhw h VAL 51 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3dhw h VAL 51 Cb 0.01 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.58 3dhw h VAL 51 CO 0.00 0.24 0.00 -0.46 0.02 0.00 0.00 177.57 177.37 3dhw n ASN 52 N -4.40 4.03 -2.89 0.57 0.23 -1.09 -4.91 115.26 106.81 3dhw n ASN 52 Ca 0.12 -2.54 -0.22 0.00 -0.53 0.00 0.00 54.58 51.41 3dhw n ASN 52 Cb 0.02 -0.48 0.02 0.00 -2.08 0.00 0.00 39.78 37.26 3dhw n ASN 52 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3dhw n LEU 53 N 0.40 -2.47 -0.30 -4.53 7.94 -0.73 -4.88 117.00 112.43 3dhw n LEU 53 Ca 0.21 -0.22 -0.05 0.00 -1.11 0.00 0.00 56.01 54.84 3dhw n LEU 53 Cb 0.78 -2.94 0.07 0.00 0.53 0.00 0.00 43.42 41.86 3dhw n LEU 53 CO 0.17 0.12 1.14 -0.07 -1.11 0.00 0.00 177.39 177.65 3dhw h LEU 54 N -1.05 1.03 -9.39 -1.96 3.38 -1.62 -3.39 115.31 102.31 3dhw h LEU 54 Ca -0.52 -0.10 -0.68 0.00 0.09 0.00 0.00 57.88 56.67 3dhw h LEU 54 Cb 1.36 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 3dhw h LEU 54 CO 0.57 0.83 -0.58 -1.61 0.09 0.00 0.00 178.44 177.75 3dhw s GLU 55 N -5.84 3.12 -0.27 1.13 0.41 -1.25 -5.05 118.70 110.96 3dhw s GLU 55 Ca -0.13 -0.32 -0.17 0.00 -0.41 0.00 0.00 54.97 53.94 3dhw s GLU 55 Cb 0.16 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.57 3dhw s GLU 55 CO 0.81 0.73 0.46 1.03 -0.49 0.00 0.00 175.26 177.80 3dhw s ARG 56 N -0.93 4.03 -0.10 1.61 0.52 -1.26 -4.43 118.95 118.39 3dhw s ARG 56 Ca 0.14 0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 3dhw s ARG 56 Cb -0.12 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 3dhw s ARG 56 CO 0.03 -0.34 1.34 -1.25 0.02 0.00 0.00 175.30 175.10 3dhw s PRO 57 N 2.22 4.25 0.25 3.54 0.04 -1.26 -4.85 135.00 139.19 3dhw s PRO 57 Ca 0.19 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 3dhw s PRO 57 Cb -0.16 -3.74 0.27 0.00 0.04 0.00 0.00 34.50 30.91 3dhw s PRO 57 CO 0.10 -0.67 1.93 1.15 0.04 0.00 0.00 177.00 179.55 3dhw h THR 58 N 5.34 1.26 -3.62 1.26 2.02 -1.23 -3.43 112.91 114.50 3dhw h THR 58 Ca -0.32 -0.47 -0.37 0.00 0.77 0.00 0.00 66.41 66.03 3dhw h THR 58 Cb 1.14 -0.21 -0.18 0.00 -1.74 0.00 0.00 68.15 67.16 3dhw h THR 58 CO 0.94 0.25 -0.74 -1.61 0.37 0.00 0.00 175.52 174.73 3dhw s GLU 59 N -6.11 0.95 0.00 6.66 2.02 -0.41 -5.00 118.70 116.82 3dhw s GLU 59 Ca -0.13 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.64 3dhw s GLU 59 Cb 0.18 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.69 3dhw s GLU 59 CO 0.82 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.63 3dhw n GLY 60 N 0.49 1.51 3.12 -1.39 0.00 -1.19 -1.69 105.19 106.04 3dhw n GLY 60 Ca -0.15 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 3dhw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dhw s SER 61 N -0.11 1.88 -0.13 1.61 0.01 -1.12 -4.97 113.70 110.86 3dhw s SER 61 Ca 0.00 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 3dhw s SER 61 Cb 0.00 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 3dhw s SER 61 CO 0.00 0.17 -0.13 -0.69 0.41 0.00 0.00 173.24 173.00 3dhw s VAL 62 N -0.17 3.08 -0.19 3.43 1.01 -1.26 -3.10 120.40 123.21 3dhw s VAL 62 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3dhw s VAL 62 Cb -0.08 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3dhw s VAL 62 CO 0.00 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.22 3dhw s LEU 63 N 0.38 2.25 -0.13 3.92 2.96 -0.19 -3.07 118.68 124.79 3dhw s LEU 63 Ca -0.10 -0.72 0.02 0.00 -0.22 0.00 0.00 54.13 53.11 3dhw s LEU 63 Cb -0.16 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.07 3dhw s LEU 63 CO 0.05 -0.02 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.16 3dhw s VAL 64 N 1.28 1.93 -1.58 1.68 1.01 -0.86 -0.81 120.40 123.06 3dhw s VAL 64 Ca 0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 3dhw s VAL 64 Cb -0.14 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.64 3dhw s VAL 64 CO -0.12 0.53 0.88 -0.67 0.00 0.00 0.00 175.10 175.71 3dhw n ASP 65 N 4.07 -4.27 -0.00 3.32 -0.08 -1.21 -1.30 116.55 117.09 3dhw n ASP 65 Ca -0.20 -0.82 -0.00 0.00 -1.51 0.00 0.00 54.79 52.26 3dhw n ASP 65 Cb 0.52 -3.44 -0.00 0.00 2.34 0.00 0.00 41.12 40.54 3dhw n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dhw n GLY 66 N -1.54 0.50 3.35 0.27 0.00 -1.26 -5.05 105.19 101.45 3dhw n GLY 66 Ca 0.05 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3dhw n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhw s GLN 67 N -0.05 2.58 0.01 1.61 -0.21 -0.42 -5.08 119.66 118.10 3dhw s GLN 67 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.57 3dhw s GLN 67 Cb 0.00 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 3dhw s GLN 67 CO 0.00 0.46 0.07 -1.21 -2.12 0.00 0.00 175.29 172.49 3dhw s GLU 68 N -0.33 3.00 -0.25 2.91 2.02 -1.26 -2.03 118.70 122.75 3dhw s GLU 68 Ca 0.02 -0.53 -0.14 0.00 0.02 0.00 0.00 54.97 54.33 3dhw s GLU 68 Cb -0.12 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 3dhw s GLU 68 CO 0.02 0.63 0.33 -0.51 0.02 0.00 0.00 175.26 175.76 3dhw s LEU 69 N -1.82 4.07 -0.10 1.80 1.02 -1.18 -5.03 118.68 117.45 3dhw s LEU 69 Ca 0.23 0.28 0.04 0.00 0.02 0.00 0.00 54.13 54.71 3dhw s LEU 69 Cb -0.12 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.72 3dhw s LEU 69 CO 0.15 -0.12 -0.24 -0.89 0.02 0.00 0.00 176.35 175.27 3dhw s THR 70 N 1.77 2.05 -0.34 5.49 2.01 -1.26 -4.72 115.64 120.65 3dhw s THR 70 Ca 0.14 -1.01 0.26 0.00 0.31 0.00 0.00 61.69 61.39 3dhw s THR 70 Cb -0.15 -1.77 0.28 0.00 0.01 0.00 0.00 72.50 70.87 3dhw s THR 70 CO 0.09 0.56 1.78 0.74 -0.69 0.00 0.00 174.62 177.10 3dhw h THR 71 N 5.71 0.00 -0.99 -0.82 2.02 -2.00 -3.17 112.91 113.66 3dhw h THR 71 Ca -0.19 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3dhw h THR 71 Cb 1.24 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 3dhw h THR 71 CO 0.47 0.00 0.65 -0.07 0.37 0.00 0.00 175.52 176.94 3dhw h LEU 72 N 0.00 1.14 -7.93 2.58 3.38 -2.02 -3.37 115.31 109.08 3dhw h LEU 72 Ca 0.00 -0.03 -0.75 0.00 0.09 0.00 0.00 57.88 57.18 3dhw h LEU 72 Cb 0.40 -0.29 -0.27 0.00 0.09 0.00 0.00 40.66 40.59 3dhw h LEU 72 CO 0.00 0.83 -0.19 -0.94 0.09 0.00 0.00 178.44 178.23 3dhw s SER 73 N -6.14 6.14 0.21 -0.43 1.04 -1.20 -4.93 113.70 108.40 3dhw s SER 73 Ca -0.13 -2.17 -0.07 0.00 0.48 0.00 0.00 55.95 54.06 3dhw s SER 73 Cb 0.18 -2.13 0.16 0.00 0.10 0.00 0.00 66.02 64.34 3dhw s SER 73 CO 0.82 -0.69 1.74 -0.33 0.98 0.00 0.00 173.24 175.76 3dhw h GLU 74 N 8.30 1.12 -0.97 4.02 4.39 -1.87 -2.83 114.58 126.73 3dhw h GLU 74 Ca -0.14 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3dhw h GLU 74 Cb 1.06 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.51 3dhw h GLU 74 CO 0.88 0.97 0.61 0.77 -1.16 0.00 0.00 179.01 181.08 3dhw h SER 75 N 1.07 1.15 -0.48 1.42 0.02 -1.97 -1.60 113.55 113.16 3dhw h SER 75 Ca 0.23 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3dhw h SER 75 Cb 0.33 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3dhw h SER 75 CO -0.00 0.86 0.31 -0.33 -1.14 0.00 0.00 176.83 176.52 3dhw h GLU 76 N 1.33 0.64 -0.94 3.45 4.39 -1.92 -2.65 114.58 118.89 3dhw h GLU 76 Ca 0.35 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 3dhw h GLU 76 Cb -0.09 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.37 3dhw h GLU 76 CO -0.07 0.44 0.57 1.25 -1.16 0.00 0.00 179.01 180.04 3dhw h LEU 77 N 0.65 1.12 -0.93 1.33 5.85 -1.31 -2.14 115.31 119.88 3dhw h LEU 77 Ca 0.17 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3dhw h LEU 77 Cb -0.05 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 3dhw h LEU 77 CO -0.04 0.86 0.61 0.74 -0.34 0.00 0.00 178.44 180.28 3dhw h THR 78 N 1.29 1.24 -0.64 1.05 2.02 -0.93 -2.97 112.91 113.97 3dhw h THR 78 Ca 0.34 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3dhw h THR 78 Cb -0.06 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.19 3dhw h THR 78 CO -0.06 0.23 0.42 0.11 0.37 0.00 0.00 175.52 176.59 3dhw h LYS 79 N 1.27 0.83 0.00 6.66 1.57 -1.32 -3.09 116.57 122.50 3dhw h LYS 79 Ca 0.34 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 3dhw h LYS 79 Cb -0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 3dhw h LYS 79 CO -0.07 0.55 -0.42 0.00 -0.57 0.00 0.00 179.45 178.94 3dhw h ALA 80 N 1.23 1.14 -0.38 3.86 0.00 -1.53 -3.15 119.26 120.44 3dhw h ALA 80 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dhw h ALA 80 Cb -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dhw h ALA 80 CO -0.05 0.52 0.25 0.00 0.00 0.00 0.00 179.25 179.97 3dhw h ARG 81 N 0.00 0.50 -0.97 0.00 3.08 -1.50 -0.14 114.38 115.35 3dhw h ARG 81 Ca -0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3dhw h ARG 81 Cb 0.82 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3dhw h ARG 81 CO 0.05 0.34 0.64 0.00 -1.07 0.00 0.00 179.97 179.93 3dhw h ARG 82 N 0.52 1.28 -0.23 0.04 3.08 -1.69 -2.92 114.38 114.46 3dhw h ARG 82 Ca 0.14 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3dhw h ARG 82 Cb -0.05 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 3dhw h ARG 82 CO -0.03 0.85 -0.38 1.96 -1.07 0.00 0.00 179.97 181.31 3dhw h GLN 83 N 1.32 0.52 -4.76 0.04 1.08 -1.22 -3.37 115.11 108.72 3dhw h GLN 83 Ca 0.35 -0.25 -0.69 0.00 -1.45 0.00 0.00 58.65 56.62 3dhw h GLN 83 Cb -0.14 -0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 26.99 3dhw h GLN 83 CO -0.08 0.82 -0.65 -1.50 -0.95 0.00 0.00 178.83 176.47 3dhw s ILE 84 N -4.28 3.53 0.49 2.54 1.10 -0.90 -1.48 121.20 122.20 3dhw s ILE 84 Ca -0.07 -1.06 0.04 0.00 -0.51 0.00 0.00 60.65 59.05 3dhw s ILE 84 Cb 0.13 -2.93 0.02 0.00 0.15 0.00 0.00 42.46 39.82 3dhw s ILE 84 CO 0.81 -0.05 0.68 -0.83 -2.11 0.00 0.00 174.94 173.45 3dhw s GLY 85 N 1.38 1.87 0.04 1.50 0.00 0.15 -4.70 107.32 107.56 3dhw s GLY 85 Ca -0.01 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.24 3dhw s GLY 85 CO 0.01 -1.23 -0.03 -0.29 0.00 0.00 0.00 173.10 171.56 3dhw s MET 86 N -4.58 0.48 0.17 2.90 1.75 -1.26 -2.10 119.30 116.66 3dhw s MET 86 Ca 0.56 -0.94 0.06 0.00 -1.25 0.00 0.00 55.69 54.12 3dhw s MET 86 Cb -0.10 0.14 -0.05 0.00 2.84 0.00 0.00 34.83 37.66 3dhw s MET 86 CO 0.36 -0.07 -0.11 0.42 -0.65 0.00 0.00 175.02 174.96 3dhw s ILE 87 N -2.73 1.37 0.34 10.11 1.01 -1.07 -4.68 121.20 125.55 3dhw s ILE 87 Ca -0.04 -2.11 0.09 0.00 0.00 0.00 0.00 60.65 58.59 3dhw s ILE 87 Cb -0.01 -1.94 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3dhw s ILE 87 CO -0.05 -0.67 -0.03 -0.36 0.00 0.00 0.00 174.94 173.82 3dhw s PHE 88 N -3.20 2.49 0.23 3.97 0.40 -1.26 -4.25 117.98 116.36 3dhw s PHE 88 Ca 0.19 -0.46 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 3dhw s PHE 88 Cb 0.02 -1.44 0.21 0.00 0.51 0.00 0.00 43.02 42.32 3dhw s PHE 88 CO 0.03 0.52 1.91 1.96 0.70 0.00 0.00 175.22 180.34 3dhw h GLN 89 N 1.90 1.19 -5.13 0.44 4.20 -1.85 -3.37 115.11 112.49 3dhw h GLN 89 Ca -0.42 -0.08 -0.43 0.00 0.06 0.00 0.00 58.65 57.78 3dhw h GLN 89 Cb 1.25 -0.27 -0.14 0.00 0.30 0.00 0.00 27.48 28.62 3dhw h GLN 89 CO 0.68 0.79 -0.62 -1.01 -0.67 0.00 0.00 178.83 178.01 3dhw s HIS 90 N -6.11 1.80 0.25 2.96 3.76 -1.26 -4.59 115.29 112.10 3dhw s HIS 90 Ca -0.13 -1.00 -0.06 0.00 -0.15 0.00 0.00 55.06 53.72 3dhw s HIS 90 Cb 0.17 -1.13 0.28 0.00 1.11 0.00 0.00 32.58 33.01 3dhw s HIS 90 CO 0.80 -0.08 1.93 0.74 -0.85 0.00 0.00 174.74 177.28 3dhw h PHE 91 N 2.24 1.25 -5.19 1.40 0.04 -1.95 -3.46 116.94 111.26 3dhw h PHE 91 Ca -0.40 0.03 -0.41 0.00 2.80 0.00 0.00 57.97 59.99 3dhw h PHE 91 Cb 1.24 -0.42 0.04 0.00 2.20 0.00 0.00 35.95 39.01 3dhw h PHE 91 CO 0.55 0.78 -0.64 -1.71 -0.60 0.00 0.00 178.31 176.69 3dhw n ASN 92 N -4.39 -5.61 -4.87 2.17 5.15 -1.26 -4.72 115.26 101.73 3dhw n ASN 92 Ca 0.12 -0.43 -0.30 0.00 -0.60 0.00 0.00 54.58 53.37 3dhw n ASN 92 Cb 0.02 -4.51 -0.01 0.00 -0.53 0.00 0.00 39.78 34.76 3dhw n ASN 92 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dhw s LEU 93 N -6.88 3.49 -0.21 1.20 1.43 -1.26 -5.06 118.68 111.40 3dhw s LEU 93 Ca 0.43 1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 3dhw s LEU 93 Cb -0.20 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 3dhw s LEU 93 CO 0.53 -0.67 0.13 -0.76 0.23 0.00 0.00 176.35 175.81 3dhw s LEU 94 N -4.67 4.14 0.26 1.79 1.43 -1.26 -5.00 118.68 115.37 3dhw s LEU 94 Ca 0.53 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 3dhw s LEU 94 Cb -0.11 -2.08 0.29 0.00 0.03 0.00 0.00 46.19 44.32 3dhw s LEU 94 CO 0.44 0.15 1.93 0.28 0.23 0.00 0.00 176.35 179.39 3dhw h SER 95 N 6.86 1.12 -0.98 2.29 0.02 -1.98 -3.28 113.55 117.60 3dhw h SER 95 Ca -0.40 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3dhw h SER 95 Cb 1.16 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 3dhw h SER 95 CO 0.73 0.82 0.65 -1.28 -1.14 0.00 0.00 176.83 176.61 3dhw h SER 96 N 1.32 1.13 -2.62 3.07 0.87 -2.01 -3.40 113.55 111.91 3dhw h SER 96 Ca 0.36 -0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 60.33 3dhw h SER 96 Cb -0.14 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 61.47 3dhw h SER 96 CO -0.08 0.81 -0.56 -0.13 -0.53 0.00 0.00 176.83 176.35 3dhw s ARG 97 N -6.09 2.89 0.98 2.24 0.52 -1.24 -5.06 118.95 113.20 3dhw s ARG 97 Ca -0.13 -0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 54.01 3dhw s ARG 97 Cb 0.18 -2.62 0.22 0.00 0.52 0.00 0.00 34.95 33.24 3dhw s ARG 97 CO 0.82 0.47 1.34 0.95 0.02 0.00 0.00 175.30 178.89 3dhw s THR 98 N -1.82 2.00 0.24 0.02 -4.23 -1.26 -4.26 115.64 106.33 3dhw s THR 98 Ca 0.31 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3dhw s THR 98 Cb -0.10 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.98 3dhw s THR 98 CO 0.23 0.00 1.92 0.58 -0.54 0.00 0.00 174.62 176.81 3dhw h VAL 99 N -1.72 1.24 -0.93 2.29 2.07 -1.71 -0.42 116.25 117.07 3dhw h VAL 99 Ca -0.44 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3dhw h VAL 99 Cb 1.22 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3dhw h VAL 99 CO 0.35 0.23 0.60 0.15 0.02 0.00 0.00 177.57 178.92 3dhw h PHE 100 N 1.28 1.18 -0.50 1.57 3.57 -1.89 -3.15 116.94 119.00 3dhw h PHE 100 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3dhw h PHE 100 Cb -0.14 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.17 3dhw h PHE 100 CO -0.00 0.76 0.32 0.78 -2.23 0.00 0.00 178.31 177.94 3dhw h GLY 101 N 1.27 0.71 1.06 2.40 0.00 -1.42 -3.17 103.07 103.92 3dhw h GLY 101 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3dhw h GLY 101 CO -0.07 0.27 0.60 3.43 0.00 0.00 0.00 176.54 180.77 3dhw h ASN 102 N 0.68 1.10 -0.92 0.19 2.35 -1.43 -3.15 115.58 114.40 3dhw h ASN 102 Ca 0.18 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3dhw h ASN 102 Cb -0.06 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 37.99 3dhw h ASN 102 CO -0.04 0.82 0.59 0.58 -1.65 0.00 0.00 177.43 177.73 3dhw h VAL 103 N 1.29 1.24 0.00 2.81 2.07 -1.64 -0.82 116.25 121.19 3dhw h VAL 103 Ca 0.34 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3dhw h VAL 103 Cb -0.11 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.57 3dhw h VAL 103 CO -0.07 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.76 3dhw n ALA 104 N -2.37 1.73 -0.18 1.67 0.00 -1.19 -3.68 120.51 116.49 3dhw n ALA 104 Ca 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 3dhw n ALA 104 Cb 0.03 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.14 3dhw n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dhw h LEU 105 N 0.00 -0.33 -0.70 0.00 3.38 -1.11 -0.94 115.31 115.61 3dhw h LEU 105 Ca 0.00 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 3dhw h LEU 105 Cb 0.41 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3dhw h LEU 105 CO 0.00 -0.12 -0.65 1.55 0.09 0.00 0.00 178.44 179.31 3dhw h PRO 106 N 0.08 0.00 -0.96 1.13 0.13 -1.75 -3.22 132.00 127.40 3dhw h PRO 106 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 3dhw h PRO 106 Cb 0.43 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.52 3dhw h PRO 106 CO -0.50 0.65 0.61 -0.07 -0.23 0.00 0.00 178.00 178.45 3dhw h LEU 107 N 0.00 1.13 -0.83 1.56 3.38 -1.39 -2.57 115.31 116.59 3dhw h LEU 107 Ca -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3dhw h LEU 107 Cb 1.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 3dhw h LEU 107 CO 0.08 0.85 0.32 -0.08 0.09 0.00 0.00 178.44 179.70 3dhw h GLU 108 N 1.32 1.18 -0.99 1.13 4.81 -1.46 -0.73 114.58 119.84 3dhw h GLU 108 Ca 0.35 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3dhw h GLU 108 Cb -0.10 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.04 3dhw h GLU 108 CO -0.07 0.95 0.66 -0.07 -0.73 0.00 0.00 179.01 179.75 3dhw h LEU 109 N 1.15 1.13 0.00 1.64 3.38 -1.47 -3.31 115.31 117.84 3dhw h LEU 109 Ca 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3dhw h LEU 109 Cb 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dhw h LEU 109 CO -0.02 0.81 -0.93 0.47 0.09 0.00 0.00 178.44 178.86 3dhw n ASP 110 N -4.40 0.17 -0.34 -0.43 8.00 -1.25 -4.86 116.55 113.43 3dhw n ASP 110 Ca 0.12 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.58 3dhw n ASP 110 Cb 0.02 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.21 3dhw n ASP 110 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3dhw h ASN 111 N 0.00 1.13 -6.63 -2.24 -0.26 -1.71 -3.47 115.58 102.40 3dhw h ASN 111 Ca 0.00 -0.10 -0.53 0.00 -0.56 0.00 0.00 56.30 55.12 3dhw h ASN 111 Cb 0.93 -0.29 0.03 0.00 -1.06 0.00 0.00 38.32 37.93 3dhw h ASN 111 CO 0.00 0.90 -0.98 0.41 -1.06 0.00 0.00 177.43 176.69 3dhw n THR 112 N -4.34 -4.11 -2.80 2.81 -1.04 -0.30 -4.92 114.28 99.57 3dhw n THR 112 Ca 0.10 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.05 60.92 3dhw n THR 112 Cb 0.09 -3.20 -0.03 0.00 -1.82 0.00 0.00 70.33 65.37 3dhw n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3dhw s PRO 113 N -6.81 4.19 0.19 -2.82 0.04 -1.26 -4.98 135.00 123.56 3dhw s PRO 113 Ca 0.49 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 3dhw s PRO 113 Cb -0.23 -3.65 0.11 0.00 0.04 0.00 0.00 34.50 30.77 3dhw s PRO 113 CO 0.93 -0.58 1.86 0.87 0.04 0.00 0.00 177.00 180.11 3dhw h LYS 114 N 7.64 0.81 0.00 4.56 1.57 -2.00 -3.37 116.57 125.79 3dhw h LYS 114 Ca -0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3dhw h LYS 114 Cb 1.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3dhw h LYS 114 CO 0.92 0.54 0.00 -0.25 -0.57 0.00 0.00 179.45 180.09 3dhw n ASP 115 N -4.66 0.42 0.09 0.86 8.00 -1.26 -4.63 116.55 115.37 3dhw n ASP 115 Ca 0.05 -0.73 0.10 0.00 0.71 0.00 0.00 54.79 54.92 3dhw n ASP 115 Cb 0.02 0.33 0.42 0.00 -0.02 0.00 0.00 41.12 41.88 3dhw n ASP 115 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dhw n GLU 116 N -0.33 0.12 0.03 -1.24 1.02 -1.26 -2.01 120.64 116.97 3dhw n GLU 116 Ca 0.00 0.40 -0.12 0.00 -0.02 0.00 0.00 57.16 57.42 3dhw n GLU 116 Cb 0.03 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.63 3dhw n GLU 116 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dhw h VAL 117 N 0.00 1.01 -0.78 2.62 2.07 -1.82 0.40 116.25 119.74 3dhw h VAL 117 Ca 0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3dhw h VAL 117 Cb 0.27 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3dhw h VAL 117 CO 0.00 0.01 0.31 0.11 0.02 0.00 0.00 177.57 178.02 3dhw h LYS 118 N 0.02 1.17 -0.09 1.57 1.57 -1.74 -2.98 116.57 116.10 3dhw h LYS 118 Ca 0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3dhw h LYS 118 Cb 0.00 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3dhw h LYS 118 CO -0.00 0.95 0.06 0.00 -0.57 0.00 0.00 179.45 179.89 3dhw h ARG 119 N 1.14 0.12 -0.41 3.15 3.08 -0.61 -0.53 114.38 120.32 3dhw h ARG 119 Ca 0.26 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.15 3dhw h ARG 119 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3dhw h ARG 119 CO -0.02 0.08 -0.33 0.00 -1.07 0.00 0.00 179.97 178.63 3dhw h ARG 120 N 0.13 0.94 -0.03 0.04 3.08 -0.46 -2.39 114.38 115.69 3dhw h ARG 120 Ca 0.03 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 3dhw h ARG 120 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3dhw h ARG 120 CO -0.01 1.13 0.00 0.28 -1.07 0.00 0.00 179.97 180.30 3dhw h VAL 121 N 0.77 1.24 -0.63 2.04 2.07 -1.50 0.18 116.25 120.42 3dhw h VAL 121 Ca 0.07 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3dhw h VAL 121 Cb 0.92 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 3dhw h VAL 121 CO 0.09 0.20 0.16 0.74 0.02 0.00 0.00 177.57 178.77 3dhw h THR 122 N -0.24 1.25 -0.92 2.57 2.02 -1.13 0.31 112.91 116.77 3dhw h THR 122 Ca 0.01 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3dhw h THR 122 Cb 0.31 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3dhw h THR 122 CO 0.00 0.35 0.52 -0.33 0.37 0.00 0.00 175.52 176.43 3dhw h GLU 123 N 0.93 1.28 -0.61 6.66 5.08 -1.22 -0.90 114.58 125.79 3dhw h GLU 123 Ca 0.20 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3dhw h GLU 123 Cb 0.35 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3dhw h GLU 123 CO 0.00 0.92 0.08 -0.07 -1.00 0.00 0.00 179.01 178.94 3dhw h LEU 124 N 1.29 0.99 -0.85 1.33 4.07 0.30 0.25 115.31 122.68 3dhw h LEU 124 Ca 0.33 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 3dhw h LEU 124 Cb -0.00 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.44 3dhw h LEU 124 CO -0.06 1.01 0.41 -0.07 -1.08 0.00 0.00 178.44 178.65 3dhw h LEU 125 N 0.93 1.12 -0.61 1.67 3.38 0.34 0.38 115.31 122.53 3dhw h LEU 125 Ca 0.18 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3dhw h LEU 125 Cb 0.45 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3dhw h LEU 125 CO 0.02 0.94 0.05 -1.28 0.09 0.00 0.00 178.44 178.26 3dhw h SER 126 N 1.22 1.01 -0.25 -0.43 0.87 -0.88 -2.02 113.55 113.06 3dhw h SER 126 Ca 0.29 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3dhw h SER 126 Cb 0.12 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3dhw h SER 126 CO -0.04 1.04 0.16 0.25 -0.53 0.00 0.00 176.83 177.72 3dhw h LEU 127 N 0.94 0.29 -1.55 2.23 5.85 0.34 -3.04 115.31 120.37 3dhw h LEU 127 Ca 0.18 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3dhw h LEU 127 Cb 0.49 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3dhw h LEU 127 CO 0.02 0.22 -0.03 -0.37 -0.34 0.00 0.00 178.44 177.94 3dhw h VAL 128 N 0.34 0.08 0.00 1.05 -1.51 0.02 -3.47 116.25 112.76 3dhw h VAL 128 Ca 0.09 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3dhw h VAL 128 Cb -0.03 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 3dhw h VAL 128 CO -0.02 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 3dhw n GLY 129 N -0.06 1.05 3.11 5.19 0.00 -0.81 -5.02 105.19 108.64 3dhw n GLY 129 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3dhw n GLY 129 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dhw s LEU 130 N 0.00 2.49 0.00 0.99 2.96 -0.92 -4.90 118.68 119.29 3dhw s LEU 130 Ca 0.00 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.06 3dhw s LEU 130 Cb 0.00 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.19 3dhw s LEU 130 CO 0.00 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 3dhw n GLY 131 N 4.57 -2.17 0.05 7.98 0.00 -1.25 -4.36 105.19 110.01 3dhw n GLY 131 Ca -0.19 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 3dhw n GLY 131 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dhw h ASP 132 N 0.00 0.05 -0.35 1.61 3.32 -1.90 -2.16 116.42 116.99 3dhw h ASP 132 Ca 0.00 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3dhw h ASP 132 Cb 0.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3dhw h ASP 132 CO 0.00 0.04 -0.40 0.11 -1.72 0.00 0.00 179.24 177.27 3dhw h LYS 133 N 0.06 0.89 -0.11 3.56 1.57 -1.93 -3.35 116.57 117.25 3dhw h LYS 133 Ca 0.02 -0.49 -0.11 0.00 -1.87 0.00 0.00 60.65 58.19 3dhw h LYS 133 Cb -0.00 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.19 3dhw h LYS 133 CO -0.00 1.13 -0.66 0.72 -0.57 0.00 0.00 179.45 180.07 3dhw n HIS 134 N -4.09 0.41 -0.36 -1.35 8.25 -1.25 -4.78 115.22 112.05 3dhw n HIS 134 Ca -0.03 -1.44 -0.01 0.00 -0.26 0.00 0.00 57.72 55.98 3dhw n HIS 134 Cb 0.55 -0.24 0.14 0.00 1.12 0.00 0.00 29.99 31.56 3dhw n HIS 134 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3dhw h ASP 135 N 1.21 1.10 -0.51 0.41 1.82 -1.52 -3.29 116.42 115.64 3dhw h ASP 135 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 3dhw h ASP 135 Cb 1.24 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.96 3dhw h ASP 135 CO 0.12 0.78 0.33 0.28 -1.61 0.00 0.00 179.24 179.15 3dhw h SER 136 N 1.29 0.59 -3.81 2.28 0.02 -1.86 -3.37 113.55 108.68 3dhw h SER 136 Ca 0.37 -0.02 -0.48 0.00 -0.84 0.00 0.00 61.79 60.82 3dhw h SER 136 Cb -0.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3dhw h SER 136 CO -0.09 0.43 0.37 -0.31 -1.14 0.00 0.00 176.83 176.08 3dhw s TYR 137 N -6.14 3.79 0.00 3.45 1.51 -1.24 -4.61 117.35 114.11 3dhw s TYR 137 Ca -0.13 1.83 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 3dhw s TYR 137 Cb 0.12 -3.01 0.00 0.00 -0.11 0.00 0.00 41.96 38.96 3dhw s TYR 137 CO 0.74 0.17 0.00 -0.35 -1.11 0.00 0.00 175.55 175.00 3dhw n PRO 138 N 1.05 0.00 -0.34 -1.71 -0.04 -1.26 -3.02 135.00 129.68 3dhw n PRO 138 Ca -0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3dhw n PRO 138 Cb 0.48 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.04 3dhw n PRO 138 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3dhw h SER 139 N 0.00 1.03 -3.79 3.54 0.02 -1.77 -3.40 113.55 109.17 3dhw h SER 139 Ca 0.00 -0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 60.28 3dhw h SER 139 Cb 0.00 -0.25 -0.19 0.00 0.14 0.00 0.00 62.40 62.10 3dhw h SER 139 CO 0.00 0.73 -0.54 0.20 -1.14 0.00 0.00 176.83 176.08 3dhw s ASN 140 N -6.00 5.77 0.22 3.07 0.02 -1.26 -5.02 114.94 111.73 3dhw s ASN 140 Ca -0.13 -0.16 -0.20 0.00 -1.02 0.00 0.00 52.86 51.35 3dhw s ASN 140 Cb 0.17 -2.06 0.03 0.00 0.02 0.00 0.00 41.25 39.41 3dhw s ASN 140 CO 0.80 -0.08 0.60 -0.22 0.02 0.00 0.00 177.10 178.23 3dhw s LEU 141 N 1.71 -0.19 0.45 0.60 2.96 -1.26 -4.92 118.68 118.02 3dhw s LEU 141 Ca 0.07 -0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 53.30 3dhw s LEU 141 Cb -0.16 2.43 -0.09 0.00 0.50 0.00 0.00 46.19 48.88 3dhw s LEU 141 CO 0.09 -1.13 1.45 -1.20 -1.32 0.00 0.00 176.35 174.23 3dhw n SER 142 N -0.39 3.40 -0.36 3.68 7.64 -1.26 -4.85 113.62 121.49 3dhw n SER 142 Ca -0.10 1.13 0.11 0.00 1.01 0.00 0.00 58.87 61.03 3dhw n SER 142 Cb 0.62 -1.61 0.29 0.00 -1.01 0.00 0.00 64.21 62.50 3dhw n SER 142 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3dhw h GLY 143 N 2.36 1.75 1.00 0.23 0.00 -2.00 -3.01 103.07 103.40 3dhw h GLY 143 Ca -0.51 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.44 3dhw h GLY 143 CO 0.61 0.01 0.04 -1.33 0.00 0.00 0.00 176.54 175.87 3dhw h GLY 144 N 0.84 0.09 2.00 4.60 0.00 -1.95 -2.41 103.07 106.24 3dhw h GLY 144 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3dhw h GLY 144 CO -0.35 0.03 0.00 1.46 0.00 0.00 0.00 176.54 177.69 3dhw h GLN 145 N 0.09 0.00 -0.99 4.80 4.20 -1.91 -1.69 115.11 119.61 3dhw h GLN 145 Ca 0.02 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3dhw h GLN 145 Cb -0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 3dhw h GLN 145 CO -0.01 0.00 0.65 0.87 -0.67 0.00 0.00 178.83 179.68 3dhw h LYS 146 N 0.00 1.28 -0.90 1.46 1.57 -1.39 0.50 116.57 119.09 3dhw h LYS 146 Ca 0.00 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3dhw h LYS 146 Cb 0.28 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3dhw h LYS 146 CO 0.00 0.84 0.55 0.37 -0.57 0.00 0.00 179.45 180.64 3dhw h GLN 147 N 1.31 1.22 -0.54 3.15 5.75 -1.40 -2.67 115.11 121.93 3dhw h GLN 147 Ca 0.37 -0.11 0.01 0.00 -0.15 0.00 0.00 58.65 58.78 3dhw h GLN 147 Cb -0.10 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.16 3dhw h GLN 147 CO -0.09 0.85 0.36 0.00 -2.65 0.00 0.00 178.83 177.30 3dhw h ARG 148 N 1.24 0.70 -0.98 1.69 3.08 -1.04 0.83 114.38 119.89 3dhw h ARG 148 Ca 0.32 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.35 3dhw h ARG 148 Cb -0.06 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.78 3dhw h ARG 148 CO -0.06 0.46 0.65 0.28 -1.07 0.00 0.00 179.97 180.23 3dhw h VAL 149 N 0.72 1.24 -0.52 2.04 2.07 -1.10 -0.97 116.25 119.73 3dhw h VAL 149 Ca 0.20 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3dhw h VAL 149 Cb -0.06 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.50 3dhw h VAL 149 CO -0.05 0.24 -0.15 0.00 0.02 0.00 0.00 177.57 177.63 3dhw h ALA 150 N 1.37 0.74 -0.85 1.67 0.00 0.55 -2.73 119.26 120.01 3dhw h ALA 150 Ca 0.37 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dhw h ALA 150 Cb -0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3dhw h ALA 150 CO -0.09 0.67 0.51 -0.84 0.00 0.00 0.00 179.25 179.51 3dhw h ILE 151 N 0.89 1.24 -0.92 0.00 3.07 -0.42 0.96 117.51 122.34 3dhw h ILE 151 Ca 0.13 -0.52 -0.00 0.00 1.55 0.00 0.00 64.86 66.01 3dhw h ILE 151 Cb 0.73 0.05 -0.04 0.00 -0.27 0.00 0.00 36.82 37.28 3dhw h ILE 151 CO 0.06 0.25 0.56 0.00 -1.05 0.00 0.00 178.15 177.96 3dhw h ALA 152 N 1.27 1.17 -1.00 0.16 0.00 -1.13 0.55 119.26 120.28 3dhw h ALA 152 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dhw h ALA 152 Cb -0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.33 3dhw h ALA 152 CO -0.06 0.62 0.66 -0.09 0.00 0.00 0.00 179.25 180.38 3dhw h ARG 153 N 1.26 1.32 -0.56 0.00 2.43 -0.79 0.29 114.38 118.34 3dhw h ARG 153 Ca 0.33 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3dhw h ARG 153 Cb -0.07 -0.30 -0.02 0.00 -0.42 0.00 0.00 29.97 29.17 3dhw h ARG 153 CO -0.06 0.88 -0.07 0.00 -1.51 0.00 0.00 179.97 179.20 3dhw h ALA 154 N 1.37 0.76 0.00 2.80 0.00 0.18 -2.72 119.26 121.64 3dhw h ALA 154 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dhw h ALA 154 Cb -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3dhw h ALA 154 CO -0.08 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.10 3dhw n LEU 155 N -4.18 0.00 -0.37 0.00 4.77 0.16 -3.60 117.00 113.77 3dhw n LEU 155 Ca 0.02 0.46 -0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3dhw n LEU 155 Cb 0.38 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 41.15 3dhw n LEU 155 CO 0.45 -0.01 1.29 0.00 -1.33 0.00 0.00 177.39 177.79 3dhw h ALA 156 N 3.06 1.33 0.00 -1.18 0.00 -0.11 0.49 119.26 122.85 3dhw h ALA 156 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dhw h ALA 156 Cb 0.45 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dhw h ALA 156 CO 0.00 0.59 0.00 0.43 0.00 0.00 0.00 179.25 180.27 3dhw n SER 157 N -4.42 0.07 -3.67 0.00 7.64 -1.24 -4.89 113.62 107.11 3dhw n SER 157 Ca 0.13 0.51 -0.31 0.00 1.01 0.00 0.00 58.87 60.21 3dhw n SER 157 Cb 0.07 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 62.79 3dhw n SER 157 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3dhw n ASN 158 N -1.57 -5.34 -4.89 6.43 2.85 0.17 -4.85 115.26 108.07 3dhw n ASN 158 Ca 0.04 -1.01 -0.31 0.00 -0.11 0.00 0.00 54.58 53.18 3dhw n ASN 158 Cb 0.20 -3.42 -0.05 0.00 1.24 0.00 0.00 39.78 37.75 3dhw n ASN 158 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3dhw s PRO 159 N -5.95 3.71 0.25 1.20 0.04 -1.26 -4.94 135.00 128.06 3dhw s PRO 159 Ca 0.47 0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.55 3dhw s PRO 159 Cb -0.17 -2.73 0.27 0.00 0.04 0.00 0.00 34.50 31.92 3dhw s PRO 159 CO 0.86 0.36 1.93 0.87 0.04 0.00 0.00 177.00 181.06 3dhw h LYS 160 N 2.55 1.31 -5.34 4.56 1.57 -1.76 -3.44 116.57 116.02 3dhw h LYS 160 Ca -0.47 -0.08 -0.66 0.00 -1.87 0.00 0.00 60.65 57.58 3dhw h LYS 160 Cb 1.17 -0.30 -0.27 0.00 0.08 0.00 0.00 32.23 32.91 3dhw h LYS 160 CO 0.70 0.87 -0.78 0.08 -0.57 0.00 0.00 179.45 179.75 3dhw s VAL 161 N -6.11 2.93 -0.07 0.50 1.01 -0.55 -1.92 120.40 116.18 3dhw s VAL 161 Ca -0.13 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3dhw s VAL 161 Cb 0.18 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3dhw s VAL 161 CO 0.82 0.53 -0.21 -0.22 0.00 0.00 0.00 175.10 176.02 3dhw s LEU 162 N 0.32 2.32 0.11 3.92 0.20 -0.97 0.34 118.68 124.92 3dhw s LEU 162 Ca -0.12 -0.42 0.06 0.00 0.69 0.00 0.00 54.13 54.34 3dhw s LEU 162 Cb -0.16 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 3dhw s LEU 162 CO 0.06 0.24 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.58 3dhw s LEU 163 N -0.11 3.35 0.12 -0.68 1.43 -0.89 -2.10 118.68 119.81 3dhw s LEU 163 Ca -0.04 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 3dhw s LEU 163 Cb -0.14 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3dhw s LEU 163 CO 0.04 0.15 -0.19 0.00 0.23 0.00 0.00 176.35 176.58 3dhw n ASP 165 N 0.80 -0.69 -3.87 0.00 -0.08 -1.26 -3.55 116.55 107.90 3dhw n ASP 165 Ca -0.17 -2.41 -0.31 0.00 -1.51 0.00 0.00 54.79 50.39 3dhw n ASP 165 Cb 0.55 -0.40 -0.00 0.00 2.34 0.00 0.00 41.12 43.61 3dhw n ASP 165 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3dhw n GLU 166 N 2.84 -4.13 -0.26 -0.67 1.02 -0.85 -3.53 120.64 115.07 3dhw n GLU 166 Ca 0.29 0.49 -0.05 0.00 -0.02 0.00 0.00 57.16 57.87 3dhw n GLU 166 Cb 0.49 -5.28 0.05 0.00 -0.02 0.00 0.00 31.44 26.68 3dhw n GLU 166 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dhw h ALA 167 N 0.95 0.90 0.00 0.62 0.00 -1.85 -2.64 119.26 117.25 3dhw h ALA 167 Ca -0.54 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3dhw h ALA 167 Cb 1.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dhw h ALA 167 CO 0.67 0.37 0.00 1.79 0.00 0.00 0.00 179.25 182.08 3dhw h THR 168 N 0.96 0.00 -0.89 0.00 1.35 -1.89 -3.20 112.91 109.24 3dhw h THR 168 Ca 0.25 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3dhw h THR 168 Cb -0.04 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.82 3dhw h THR 168 CO -0.05 0.00 0.46 0.77 -0.25 0.00 0.00 175.52 176.45 3dhw h SER 169 N 0.00 1.13 -0.53 5.36 4.64 -1.83 -3.16 113.55 119.16 3dhw h SER 169 Ca 0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 3dhw h SER 169 Cb 0.49 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3dhw h SER 169 CO 0.00 0.92 0.18 0.00 -0.87 0.00 0.00 176.83 177.07 3dhw h ALA 170 N 1.25 0.70 -2.47 5.18 0.00 -1.68 -3.45 119.26 118.78 3dhw h ALA 170 Ca 0.31 -0.18 -0.49 0.00 0.00 0.00 0.00 54.91 54.55 3dhw h ALA 170 Cb 0.07 -0.21 0.06 0.00 0.00 0.00 0.00 17.79 17.71 3dhw h ALA 170 CO -0.05 0.34 0.40 -0.51 0.00 0.00 0.00 179.25 179.44 3dhw s LEU 171 N -9.70 3.70 0.56 0.00 1.43 -1.20 -4.99 118.68 108.47 3dhw s LEU 171 Ca -0.13 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.82 3dhw s LEU 171 Cb 0.12 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.72 3dhw s LEU 171 CO 0.79 -1.14 1.12 1.51 0.23 0.00 0.00 176.35 178.86 3dhw s ASP 172 N -2.06 5.67 0.36 2.29 3.84 -1.26 -4.50 116.67 121.01 3dhw s ASP 172 Ca 0.69 2.13 0.19 0.00 -0.00 0.00 0.00 52.55 55.56 3dhw s ASP 172 Cb -0.20 -2.57 1.29 0.00 -1.38 0.00 0.00 42.92 40.05 3dhw s ASP 172 CO 0.28 -1.25 1.57 -0.81 -0.00 0.00 0.00 175.17 174.96 3dhw n PRO 173 N -1.46 -0.06 -0.01 2.11 -0.04 -1.26 -0.37 135.00 133.92 3dhw n PRO 173 Ca 0.11 1.38 -0.11 0.00 -0.04 0.00 0.00 63.50 64.84 3dhw n PRO 173 Cb 0.51 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.47 3dhw n PRO 173 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dhw h ALA 174 N 1.99 0.14 -0.76 0.55 0.00 -1.99 1.11 119.26 120.30 3dhw h ALA 174 Ca 0.82 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.66 3dhw h ALA 174 Cb 2.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.86 3dhw h ALA 174 CO -0.78 -0.37 0.24 1.15 0.00 0.00 0.00 179.25 179.50 3dhw h THR 175 N 0.14 1.26 -0.79 0.00 2.02 -1.16 -2.53 112.91 111.85 3dhw h THR 175 Ca 0.04 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.32 3dhw h THR 175 Cb -0.01 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3dhw h THR 175 CO -0.01 0.36 0.53 0.74 0.37 0.00 0.00 175.52 177.51 3dhw h THR 176 N 1.12 1.20 -0.56 3.16 2.02 -0.01 0.13 112.91 119.97 3dhw h THR 176 Ca 0.24 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3dhw h THR 176 Cb 0.30 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3dhw h THR 176 CO -0.01 0.20 0.36 0.03 0.37 0.00 0.00 175.52 176.47 3dhw h ARG 177 N 1.07 0.72 -0.61 6.66 3.08 0.15 -2.66 114.38 122.79 3dhw h ARG 177 Ca 0.29 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3dhw h ARG 177 Cb -0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 3dhw h ARG 177 CO -0.07 0.48 0.21 0.77 -1.07 0.00 0.00 179.97 180.29 3dhw h SER 178 N 0.74 0.88 -0.69 7.04 0.02 -0.89 -3.23 113.55 117.42 3dhw h SER 178 Ca 0.21 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3dhw h SER 178 Cb -0.07 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 3dhw h SER 178 CO -0.05 0.84 0.20 0.40 -1.14 0.00 0.00 176.83 177.08 3dhw h ILE 179 N 0.87 1.26 -0.93 3.27 1.08 -0.44 -2.56 117.51 120.06 3dhw h ILE 179 Ca 0.20 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3dhw h ILE 179 Cb 0.26 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 3dhw h ILE 179 CO -0.01 0.35 0.57 -0.07 -0.69 0.00 0.00 178.15 178.30 3dhw h LEU 180 N 1.02 1.12 -0.79 1.44 3.38 -1.55 -1.95 115.31 117.99 3dhw h LEU 180 Ca 0.22 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3dhw h LEU 180 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dhw h LEU 180 CO -0.00 0.86 -0.33 -0.33 0.09 0.00 0.00 178.44 178.73 3dhw h GLU 181 N 1.29 0.53 -0.99 1.13 5.08 -1.48 -2.29 114.58 117.84 3dhw h GLU 181 Ca 0.34 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3dhw h GLU 181 Cb -0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 3dhw h GLU 181 CO -0.06 0.79 0.65 1.25 -1.00 0.00 0.00 179.01 180.64 3dhw h LEU 182 N 0.45 1.15 -0.84 1.33 5.85 -1.07 0.31 115.31 122.49 3dhw h LEU 182 Ca 0.05 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dhw h LEU 182 Cb 0.79 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3dhw h LEU 182 CO 0.06 0.84 0.56 -0.07 -0.34 0.00 0.00 178.44 179.49 3dhw h LEU 183 N 1.35 0.96 -0.50 2.25 3.38 -0.97 0.15 115.31 121.94 3dhw h LEU 183 Ca 0.36 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 3dhw h LEU 183 Cb -0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3dhw h LEU 183 CO -0.08 0.69 -0.23 0.11 0.09 0.00 0.00 178.44 179.03 3dhw h LYS 184 N 1.13 0.99 -0.46 1.13 1.57 -0.59 -0.42 116.57 119.92 3dhw h LYS 184 Ca 0.31 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3dhw h LYS 184 Cb -0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3dhw h LYS 184 CO -0.07 1.11 0.05 0.22 -0.57 0.00 0.00 179.45 180.19 3dhw h ASP 185 N 0.85 0.75 0.72 0.86 3.58 -0.11 0.34 116.42 123.42 3dhw h ASP 185 Ca 0.11 -0.27 -0.13 0.00 0.42 0.00 0.00 57.03 57.15 3dhw h ASP 185 Cb 0.81 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3dhw h ASP 185 CO 0.07 0.84 -0.62 0.16 -2.88 0.00 0.00 179.24 176.81 3dhw h ILE 186 N 0.64 1.37 -0.06 2.25 3.07 -0.58 -2.73 117.51 121.48 3dhw h ILE 186 Ca 0.14 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.37 3dhw h ILE 186 Cb 0.42 2.20 -0.00 0.00 -0.27 0.00 0.00 36.82 39.16 3dhw h ILE 186 CO 0.01 0.61 0.04 -1.13 -1.05 0.00 0.00 178.15 176.63 3dhw h ASN 187 N 0.00 0.07 -0.02 2.16 -1.24 -0.14 -1.75 115.58 114.65 3dhw h ASN 187 Ca -0.01 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 3dhw h ASN 187 Cb 1.15 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.18 3dhw h ASN 187 CO 0.08 0.06 0.01 0.03 -1.29 0.00 0.00 177.43 176.33 3dhw h ARG 188 N 0.07 0.03 -0.24 6.67 3.08 -0.27 -0.04 114.38 123.67 3dhw h ARG 188 Ca 0.02 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3dhw h ARG 188 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3dhw h ARG 188 CO -0.00 0.07 -0.01 0.00 -1.07 0.00 0.00 179.97 178.95 3dhw h ARG 189 N -0.01 0.44 -0.02 0.04 3.08 -1.58 -3.30 114.38 113.02 3dhw h ARG 189 Ca 0.01 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3dhw h ARG 189 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3dhw h ARG 189 CO -0.00 0.62 -0.35 1.28 -1.07 0.00 0.00 179.97 180.45 3dhw n LEU 190 N -4.63 2.29 -1.16 3.04 4.77 -0.66 -4.91 117.00 115.75 3dhw n LEU 190 Ca -0.04 -0.82 -0.11 0.00 -0.03 0.00 0.00 56.01 55.02 3dhw n LEU 190 Cb 0.25 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3dhw n LEU 190 CO 0.38 0.41 -0.13 0.61 -1.33 0.00 0.00 177.39 177.33 3dhw n GLY 191 N 1.40 0.10 3.71 -0.72 0.00 -0.05 -4.91 105.19 104.72 3dhw n GLY 191 Ca 0.11 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3dhw n GLY 191 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dhw s LEU 192 N -2.97 4.36 -0.11 0.99 2.96 -1.11 -4.43 118.68 118.36 3dhw s LEU 192 Ca 0.00 2.21 -0.10 0.00 -0.22 0.00 0.00 54.13 56.02 3dhw s LEU 192 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 3dhw s LEU 192 CO 0.00 -0.61 0.22 0.42 -1.32 0.00 0.00 176.35 175.06 3dhw s THR 193 N 1.22 5.37 -0.01 3.68 -4.23 -0.81 -4.57 115.64 116.29 3dhw s THR 193 Ca 0.63 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 3dhw s THR 193 Cb -0.34 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 3dhw s THR 193 CO 0.29 0.55 -0.07 0.27 -0.54 0.00 0.00 174.62 175.12 3dhw s ILE 194 N -0.60 0.55 -0.25 2.99 -4.36 0.29 -2.30 121.20 117.52 3dhw s ILE 194 Ca 0.16 -0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.23 3dhw s ILE 194 Cb -0.13 -0.46 0.02 0.00 1.25 0.00 0.00 42.46 43.14 3dhw s ILE 194 CO 0.05 0.15 -0.06 -0.22 0.24 0.00 0.00 174.94 175.11 3dhw s LEU 195 N -0.17 3.20 -0.15 0.37 2.96 -0.89 0.58 118.68 124.58 3dhw s LEU 195 Ca 0.03 -0.85 -0.03 0.00 -0.22 0.00 0.00 54.13 53.06 3dhw s LEU 195 Cb -0.03 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3dhw s LEU 195 CO -0.00 -0.13 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.63 3dhw s LEU 196 N 1.34 3.14 -0.17 -0.68 2.96 0.23 -1.11 118.68 124.38 3dhw s LEU 196 Ca 0.00 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3dhw s LEU 196 Cb -0.17 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3dhw s LEU 196 CO -0.04 0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 3dhw s ILE 197 N 0.36 2.07 0.00 6.68 1.09 -1.23 0.76 121.20 130.94 3dhw s ILE 197 Ca -0.05 -0.94 -0.07 0.00 -1.10 0.00 0.00 60.65 58.48 3dhw s ILE 197 Cb -0.15 -1.86 0.00 0.00 -1.06 0.00 0.00 42.46 39.40 3dhw s ILE 197 CO 0.03 0.54 0.13 0.28 -0.10 0.00 0.00 174.94 175.83 3dhw s THR 198 N 1.20 0.08 0.25 2.92 -1.32 -0.68 -2.01 115.64 116.09 3dhw s THR 198 Ca 0.03 -0.69 -0.06 0.00 -1.21 0.00 0.00 61.69 59.76 3dhw s THR 198 Cb -0.13 -0.42 0.25 0.00 -1.51 0.00 0.00 72.50 70.69 3dhw s THR 198 CO -0.11 -0.38 1.93 -0.74 -2.21 0.00 0.00 174.62 173.11 3dhw h HIS 199 N 4.31 1.26 -3.96 9.09 2.76 -1.90 -3.33 115.15 123.37 3dhw h HIS 199 Ca -0.31 0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.25 3dhw h HIS 199 Cb 1.19 -0.42 -0.23 0.00 1.55 0.00 0.00 27.41 29.50 3dhw h HIS 199 CO 0.59 0.79 -0.86 -1.21 -1.30 0.00 0.00 177.93 175.95 3dhw s GLU 200 N -6.12 1.35 0.34 5.26 2.02 -1.26 -4.81 118.70 115.47 3dhw s GLU 200 Ca -0.13 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 53.62 3dhw s GLU 200 Cb 0.18 -1.73 0.59 0.00 0.10 0.00 0.00 34.13 33.27 3dhw s GLU 200 CO 0.82 0.41 1.99 0.52 0.02 0.00 0.00 175.26 179.02 3dhw h MET 201 N 4.07 0.90 -0.62 1.61 2.86 -1.89 -0.43 114.93 121.43 3dhw h MET 201 Ca -0.49 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.10 3dhw h MET 201 Cb 1.17 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 3dhw h MET 201 CO 0.40 0.60 0.41 -0.44 1.06 0.00 0.00 176.91 178.94 3dhw h ASP 202 N 0.93 0.72 -0.97 1.22 3.32 -1.93 0.49 116.42 120.20 3dhw h ASP 202 Ca 0.27 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3dhw h ASP 202 Cb -0.06 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 3dhw h ASP 202 CO -0.06 0.52 0.64 0.58 -1.72 0.00 0.00 179.24 179.20 3dhw h VAL 203 N 0.85 1.25 0.00 -1.35 2.07 -1.50 -2.79 116.25 114.79 3dhw h VAL 203 Ca 0.23 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3dhw h VAL 203 Cb -0.09 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.51 3dhw h VAL 203 CO -0.05 0.24 -0.00 0.58 0.02 0.00 0.00 177.57 178.36 3dhw h VAL 204 N 1.31 1.18 -0.99 2.57 2.07 -0.05 -3.32 116.25 119.03 3dhw h VAL 204 Ca 0.35 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3dhw h VAL 204 Cb -0.15 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3dhw h VAL 204 CO -0.08 0.14 0.65 0.11 0.02 0.00 0.00 177.57 178.41 3dhw h LYS 205 N -0.24 1.31 -0.80 1.57 1.57 -0.52 0.49 116.57 119.94 3dhw h LYS 205 Ca -0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3dhw h LYS 205 Cb 0.24 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3dhw h LYS 205 CO 0.00 0.87 0.32 0.00 -0.57 0.00 0.00 179.45 180.07 3dhw h ARG 206 N 1.35 1.20 0.00 3.15 3.08 -1.65 -3.32 114.38 118.19 3dhw h ARG 206 Ca 0.36 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3dhw h ARG 206 Cb -0.14 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.72 3dhw h ARG 206 CO -0.08 0.97 0.00 0.44 -1.07 0.00 0.00 179.97 180.23 3dhw n ILE 207 N -4.28 0.34 -2.84 2.04 -5.35 -1.08 -4.86 119.36 103.34 3dhw n ILE 207 Ca 0.07 -0.41 -0.41 0.00 -0.27 0.00 0.00 62.75 61.73 3dhw n ILE 207 Cb 0.19 0.99 -0.04 0.00 -1.74 0.00 0.00 39.64 39.04 3dhw n ILE 207 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dhw h ASP 209 N 7.10 -0.06 -4.11 0.00 5.19 -1.29 -3.40 116.42 119.84 3dhw h ASP 209 Ca -0.33 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.39 3dhw h ASP 209 Cb 1.16 0.02 -0.24 0.00 0.18 0.00 0.00 39.33 40.45 3dhw h ASP 209 CO 0.82 0.43 -0.85 0.00 -3.12 0.00 0.00 179.24 176.51 3dhw s VAL 211 N -0.91 0.73 -0.04 0.00 0.11 -0.86 0.60 120.40 120.03 3dhw s VAL 211 Ca 0.13 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 3dhw s VAL 211 Cb -0.10 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 3dhw s VAL 211 CO 0.04 0.17 -0.13 0.00 -3.33 0.00 0.00 175.10 171.85 3dhw s ALA 212 N -0.30 2.74 -0.23 1.54 0.00 0.80 -2.92 121.76 123.39 3dhw s ALA 212 Ca 0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3dhw s ALA 212 Cb -0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 3dhw s ALA 212 CO -0.00 0.56 -0.00 0.08 0.00 0.00 0.00 175.76 176.40 3dhw s VAL 213 N -0.78 3.70 -0.11 0.00 1.01 -0.65 0.98 120.40 124.55 3dhw s VAL 213 Ca 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3dhw s VAL 213 Cb -0.11 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 3dhw s VAL 213 CO 0.01 0.39 -0.21 -0.63 0.00 0.00 0.00 175.10 174.67 3dhw s ILE 214 N 1.53 2.28 -0.11 2.22 1.09 -0.18 0.12 121.20 128.14 3dhw s ILE 214 Ca 0.06 -0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 58.67 3dhw s ILE 214 Cb -0.15 -1.90 0.03 0.00 -1.06 0.00 0.00 42.46 39.39 3dhw s ILE 214 CO -0.01 0.55 -0.04 -0.55 -0.10 0.00 0.00 174.94 174.79 3dhw s SER 215 N 0.42 2.12 -1.58 3.58 0.15 -1.00 -2.05 113.70 115.33 3dhw s SER 215 Ca -0.15 -0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.03 3dhw s SER 215 Cb -0.17 -0.70 0.11 0.00 -1.71 0.00 0.00 66.02 63.55 3dhw s SER 215 CO 0.07 -0.17 0.94 0.59 1.20 0.00 0.00 173.24 175.87 3dhw n ASN 216 N 5.01 -4.48 0.00 5.45 5.03 -1.26 -2.66 115.26 122.35 3dhw n ASN 216 Ca -0.10 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.51 3dhw n ASN 216 Cb 0.49 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.66 3dhw n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dhw n GLY 217 N -1.61 1.35 3.72 7.41 0.00 -1.21 -4.92 105.19 109.93 3dhw n GLY 217 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3dhw n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dhw s GLU 218 N -0.53 2.56 -0.28 1.61 2.02 -1.09 -1.16 118.70 121.83 3dhw s GLU 218 Ca 0.00 -1.27 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 3dhw s GLU 218 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3dhw s GLU 218 CO 0.00 0.38 0.17 -1.17 0.02 0.00 0.00 175.26 174.66 3dhw s LEU 219 N -3.75 3.95 -0.15 1.80 2.96 -1.26 -2.39 118.68 119.84 3dhw s LEU 219 Ca 0.32 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.90 3dhw s LEU 219 Cb -0.07 -2.08 -0.22 0.00 0.50 0.00 0.00 46.19 44.32 3dhw s LEU 219 CO 0.22 -0.06 0.57 0.40 -1.32 0.00 0.00 176.35 176.16 3dhw h ILE 220 N 5.42 1.44 -3.85 6.68 2.04 0.55 -3.49 117.51 126.29 3dhw h ILE 220 Ca -0.35 -2.19 -0.28 0.00 1.00 0.00 0.00 64.86 63.04 3dhw h ILE 220 Cb 1.18 2.82 -0.27 0.00 -0.74 0.00 0.00 36.82 39.81 3dhw h ILE 220 CO 0.56 0.49 -0.74 -1.61 0.00 0.00 0.00 178.15 176.85 3dhw s GLU 221 N -2.20 0.28 -0.04 2.37 2.02 -1.19 -4.96 118.70 114.98 3dhw s GLU 221 Ca -0.20 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 3dhw s GLU 221 Cb -0.01 -0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.02 3dhw s GLU 221 CO 0.61 0.06 0.01 -1.14 0.02 0.00 0.00 175.26 174.82 3dhw s GLN 222 N -0.26 0.29 0.09 1.61 0.74 -1.26 -1.63 119.66 119.24 3dhw s GLN 222 Ca -0.01 0.15 -0.27 0.00 0.05 0.00 0.00 55.36 55.28 3dhw s GLN 222 Cb -0.02 -0.60 0.08 0.00 1.10 0.00 0.00 33.01 33.57 3dhw s GLN 222 CO -0.00 -0.22 1.09 -0.51 -0.55 0.00 0.00 175.29 175.10 3dhw s ASP 223 N 1.49 -0.12 0.58 6.67 1.01 -1.15 -5.03 116.67 120.12 3dhw s ASP 223 Ca -0.03 -0.32 -0.18 0.00 0.71 0.00 0.00 52.55 52.72 3dhw s ASP 223 Cb -0.13 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.13 3dhw s ASP 223 CO -0.03 -0.68 1.14 -0.89 0.21 0.00 0.00 175.17 174.92 3dhw s THR 224 N -2.91 3.04 0.25 -1.27 2.01 -1.26 -2.04 115.64 113.46 3dhw s THR 224 Ca 0.14 0.61 -0.06 0.00 0.31 0.00 0.00 61.69 62.69 3dhw s THR 224 Cb 0.01 -3.21 0.26 0.00 0.01 0.00 0.00 72.50 69.57 3dhw s THR 224 CO 0.00 -0.18 1.92 0.58 -0.69 0.00 0.00 174.62 176.26 3dhw h VAL 225 N 0.87 1.26 -0.98 3.82 2.07 -0.75 -2.12 116.25 120.41 3dhw h VAL 225 Ca -0.49 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3dhw h VAL 225 Cb 1.27 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3dhw h VAL 225 CO 0.56 0.25 0.65 0.28 0.02 0.00 0.00 177.57 179.33 3dhw h SER 226 N 1.36 1.13 -0.67 0.57 0.02 -1.81 -2.29 113.55 111.87 3dhw h SER 226 Ca 0.37 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 3dhw h SER 226 Cb -0.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.09 3dhw h SER 226 CO -0.08 0.82 0.09 -0.33 -1.14 0.00 0.00 176.83 176.19 3dhw h GLU 227 N 1.33 1.11 -5.05 3.45 5.08 -1.78 -3.43 114.58 115.30 3dhw h GLU 227 Ca 0.36 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3dhw h GLU 227 Cb -0.16 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3dhw h GLU 227 CO -0.08 1.03 0.84 0.28 -1.00 0.00 0.00 179.01 180.08 3dhw n VAL 228 N -4.21 0.00 -0.40 3.13 0.31 -0.86 -4.36 118.33 111.94 3dhw n VAL 228 Ca 0.04 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3dhw n VAL 228 Cb 0.30 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3dhw n VAL 228 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3dhw n PHE 229 N 10.00 0.00 0.00 3.52 0.99 -1.26 -5.00 117.46 125.71 3dhw n PHE 229 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 3dhw n PHE 229 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.90 3dhw n PHE 229 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3dhw n SER 230 N -0.01 0.00 -4.64 4.37 7.64 -1.26 -4.85 113.62 114.87 3dhw n SER 230 Ca 0.00 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.40 3dhw n SER 230 Cb 0.10 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 3dhw n SER 230 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3dhw n HIS 231 N -0.01 1.97 0.00 1.43 8.25 -1.26 -4.54 115.22 121.06 3dhw n HIS 231 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 3dhw n HIS 231 Cb 0.00 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 28.65 3dhw n HIS 231 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dhw n PRO 232 N 2.99 0.00 -1.47 -0.41 -0.02 -1.26 -4.66 135.00 130.17 3dhw n PRO 232 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3dhw n PRO 232 Cb 0.25 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.82 3dhw n PRO 232 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3dhw n LYS 233 N 0.00 1.24 -0.21 -0.52 2.85 -1.26 -4.93 118.16 115.33 3dhw n LYS 233 Ca 0.00 -2.93 0.00 0.00 -1.05 0.00 0.00 58.31 54.33 3dhw n LYS 233 Cb 0.00 -1.07 0.08 0.00 -0.65 0.00 0.00 35.03 33.40 3dhw n LYS 233 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3dhw h THR 234 N 4.21 0.41 0.00 0.58 2.02 -1.89 -2.89 112.91 115.34 3dhw h THR 234 Ca -0.06 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3dhw h THR 234 Cb 1.46 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3dhw h THR 234 CO 0.16 0.01 0.00 -2.65 0.37 0.00 0.00 175.52 173.41 3dhw n PRO 235 N -5.37 0.00 -0.34 6.66 -0.02 -1.26 0.47 135.00 135.13 3dhw n PRO 235 Ca 0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3dhw n PRO 235 Cb 0.35 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.92 3dhw n PRO 235 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dhw h LEU 236 N 0.00 1.07 -1.54 2.45 3.38 -1.96 -0.39 115.31 118.32 3dhw h LEU 236 Ca 0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dhw h LEU 236 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3dhw h LEU 236 CO 0.00 0.81 0.32 0.00 0.09 0.00 0.00 178.44 179.65 3dhw h ALA 237 N 1.31 1.67 -0.24 1.53 0.00 1.01 -1.49 119.26 123.05 3dhw h ALA 237 Ca 0.33 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3dhw h ALA 237 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dhw h ALA 237 CO -0.07 0.30 -0.23 1.96 0.00 0.00 0.00 179.25 181.21 3dhw h GLN 238 N 0.64 0.45 -0.95 0.00 1.08 0.27 -3.34 115.11 113.26 3dhw h GLN 238 Ca 0.18 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3dhw h GLN 238 Cb -0.06 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 3dhw h GLN 238 CO -0.04 0.66 0.62 0.87 -0.95 0.00 0.00 178.83 179.99 3dhw h LYS 239 N 0.40 1.25 -6.98 1.46 1.57 0.00 -0.19 116.57 114.08 3dhw h LYS 239 Ca 0.06 -0.08 -0.54 0.00 -1.87 0.00 0.00 60.65 58.22 3dhw h LYS 239 Cb 0.63 -0.28 0.12 0.00 0.08 0.00 0.00 32.23 32.78 3dhw h LYS 239 CO 0.05 0.84 0.72 0.12 -0.57 0.00 0.00 179.45 180.60 3dhw s PHE 240 N -6.04 2.46 0.00 -1.35 5.36 -1.25 -4.43 117.98 112.72 3dhw s PHE 240 Ca -0.13 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 3dhw s PHE 240 Cb 0.18 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 3dhw s PHE 240 CO 0.81 -3.01 0.00 -0.89 -1.46 0.00 0.00 175.22 170.67 3dhw n ILE 241 N -0.09 0.00 0.57 3.12 2.08 -1.26 -2.13 119.36 121.65 3dhw n ILE 241 Ca 0.04 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.47 3dhw n ILE 241 Cb 0.41 0.00 0.18 0.00 -0.75 0.00 0.00 39.64 39.49 3dhw n ILE 241 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dhw n GLN 242 N 0.00 0.29 -0.01 0.38 1.13 -1.23 -2.65 117.38 115.30 3dhw n GLN 242 Ca 0.00 0.09 0.14 0.00 -1.94 0.00 0.00 57.00 55.29 3dhw n GLN 242 Cb 0.00 -1.69 0.51 0.00 0.11 0.00 0.00 30.24 29.16 3dhw n GLN 242 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3dhw n SER 243 N -2.12 1.54 -0.02 1.08 2.88 -0.08 -3.25 113.62 113.65 3dhw n SER 243 Ca 0.03 -1.53 -0.04 0.00 -1.33 0.00 0.00 58.87 56.01 3dhw n SER 243 Cb 0.44 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.88 3dhw n SER 243 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3dhw n THR 244 N 0.20 0.23 -0.10 2.46 -2.24 -1.23 -4.21 114.28 109.39 3dhw n THR 244 Ca 0.19 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 3dhw n THR 244 Cb 0.36 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.00 3dhw n THR 244 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dhw h LEU 245 N -0.12 0.98 0.00 3.22 4.07 -1.70 -2.04 115.31 119.71 3dhw h LEU 245 Ca -0.08 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.38 3dhw h LEU 245 Cb 1.04 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.50 3dhw h LEU 245 CO -0.05 1.28 0.00 1.57 -1.08 0.00 0.00 178.44 180.16 3dhw n HIS 246 N -4.05 0.00 -0.31 1.13 -0.00 -1.20 -3.37 115.22 107.41 3dhw n HIS 246 Ca -0.03 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.11 3dhw n HIS 246 Cb 0.58 -0.03 0.08 0.00 -0.12 0.00 0.00 29.99 30.50 3dhw n HIS 246 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3dhw h LEU 247 N 0.00 0.98 0.02 0.27 3.38 -1.83 -3.34 115.31 114.79 3dhw h LEU 247 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dhw h LEU 247 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3dhw h LEU 247 CO 0.00 0.72 -0.01 0.44 0.09 0.00 0.00 178.44 179.68 3dhw h ASP 248 N 1.15 -0.02 0.00 -0.43 3.32 -1.73 -3.50 116.42 115.21 3dhw h ASP 248 Ca 0.31 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3dhw h ASP 248 Cb -0.12 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3dhw h ASP 248 CO -0.07 0.75 0.00 2.30 -1.72 0.00 0.00 179.24 180.50 3dhw n ILE 249 N -4.73 0.00 -2.65 0.35 -5.35 -0.77 -3.28 119.36 102.94 3dhw n ILE 249 Ca -0.09 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 3dhw n ILE 249 Cb 0.36 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.22 3dhw n ILE 249 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3dhw s PRO 250 N 0.00 4.63 0.24 6.28 0.04 -1.26 -4.96 135.00 139.96 3dhw s PRO 250 Ca 0.00 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 3dhw s PRO 250 Cb 0.00 -3.36 0.22 0.00 0.04 0.00 0.00 34.50 31.40 3dhw s PRO 250 CO 0.00 0.10 1.88 1.49 0.04 0.00 0.00 177.00 180.51 3dhw h GLU 251 N 5.74 1.28 -0.64 4.56 4.81 -1.95 -2.88 114.58 125.50 3dhw h GLU 251 Ca -0.43 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3dhw h GLU 251 Cb 1.21 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3dhw h GLU 251 CO 0.73 0.91 0.00 -0.40 -0.73 0.00 0.00 179.01 179.52 3dhw n ASP 252 N -4.35 4.74 -0.36 1.04 3.85 -1.26 -3.97 116.55 116.24 3dhw n ASP 252 Ca 0.10 -2.45 -0.02 0.00 -0.71 0.00 0.00 54.79 51.71 3dhw n ASP 252 Cb 0.07 -0.57 0.11 0.00 -1.35 0.00 0.00 41.12 39.38 3dhw n ASP 252 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 3dhw h TYR 253 N 4.03 1.21 -0.12 2.11 5.03 -1.89 -3.28 116.97 124.07 3dhw h TYR 253 Ca 0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.35 3dhw h TYR 253 Cb 1.45 -0.41 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 3dhw h TYR 253 CO 0.76 0.75 0.08 1.96 -1.32 0.00 0.00 178.16 180.39 3dhw h GLN 254 N 1.29 0.09 -0.50 1.82 4.20 -1.75 -1.86 115.11 118.41 3dhw h GLN 254 Ca 0.36 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.07 3dhw h GLN 254 Cb -0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3dhw h GLN 254 CO -0.09 0.06 0.33 1.05 -0.67 0.00 0.00 178.83 179.51 3dhw h GLU 255 N 0.09 0.64 -0.92 1.46 4.11 -1.88 0.32 114.58 118.40 3dhw h GLU 255 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 3dhw h GLU 255 Cb 0.09 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3dhw h GLU 255 CO -0.01 0.43 0.52 0.00 0.07 0.00 0.00 179.01 180.02 3dhw h ARG 256 N 0.66 1.27 -6.84 1.06 3.08 -1.54 -3.44 114.38 108.64 3dhw h ARG 256 Ca 0.18 -0.14 -0.53 0.00 0.07 0.00 0.00 59.98 59.57 3dhw h ARG 256 Cb -0.06 -0.25 0.08 0.00 0.08 0.00 0.00 29.97 29.81 3dhw h ARG 256 CO -0.04 0.91 0.77 -1.17 -1.07 0.00 0.00 179.97 179.37 3dhw s LEU 257 N -9.94 4.37 -0.00 3.04 2.96 0.11 -4.71 118.68 114.51 3dhw s LEU 257 Ca -0.13 2.83 0.05 0.00 -0.22 0.00 0.00 54.13 56.67 3dhw s LEU 257 Cb 0.17 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 3dhw s LEU 257 CO 0.83 -0.76 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.85 3dhw s GLN 258 N -1.13 2.30 0.29 1.98 -1.52 -0.78 -4.95 119.66 115.85 3dhw s GLN 258 Ca 0.56 -0.83 0.02 0.00 -1.95 0.00 0.00 55.36 53.16 3dhw s GLN 258 Cb -0.44 -2.30 0.44 0.00 -0.22 0.00 0.00 33.01 30.49 3dhw s GLN 258 CO 0.51 0.58 1.76 0.00 -0.25 0.00 0.00 175.29 177.89 3dhw h ALA 259 N 4.89 1.15 -2.37 6.09 0.00 -1.91 -3.14 119.26 123.97 3dhw h ALA 259 Ca -0.47 -0.31 -0.61 0.00 0.00 0.00 0.00 54.91 53.53 3dhw h ALA 259 Cb 1.15 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 3dhw h ALA 259 CO 0.49 0.53 -0.77 -1.21 0.00 0.00 0.00 179.25 178.30 3dhw s GLU 260 N -4.65 1.63 0.63 0.00 2.02 -1.26 -4.83 118.70 112.24 3dhw s GLU 260 Ca -0.07 -1.72 -0.15 0.00 0.02 0.00 0.00 54.97 53.05 3dhw s GLU 260 Cb 0.14 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.62 3dhw s GLU 260 CO 0.79 0.33 1.07 -1.25 0.02 0.00 0.00 175.26 176.22 3dhw s PRO 261 N -3.38 3.08 0.36 0.39 0.04 -1.26 -4.59 135.00 129.65 3dhw s PRO 261 Ca 0.28 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 3dhw s PRO 261 Cb -0.05 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3dhw s PRO 261 CO 0.14 -1.00 0.50 1.97 0.04 0.00 0.00 177.00 178.65 3dhw n PHE 262 N -2.35 -1.48 -1.72 0.56 1.16 -1.26 -5.10 117.46 107.27 3dhw n PHE 262 Ca 0.09 -2.44 -0.42 0.00 -1.87 0.00 0.00 57.45 52.80 3dhw n PHE 262 Cb 0.53 0.57 -0.03 0.00 -1.61 0.00 0.00 39.48 38.94 3dhw n PHE 262 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 3dhw n THR 263 N -0.60 0.17 -3.87 1.97 -1.04 -1.26 -3.92 114.28 105.73 3dhw n THR 263 Ca 0.01 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.73 3dhw n THR 263 Cb 0.61 -1.93 -0.00 0.00 -1.82 0.00 0.00 70.33 67.19 3dhw n THR 263 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3dhw n ASP 264 N 3.62 -0.84 -4.11 8.00 8.00 -1.26 -5.03 116.55 124.93 3dhw n ASP 264 Ca 0.15 -0.94 -0.08 0.00 0.71 0.00 0.00 54.79 54.63 3dhw n ASP 264 Cb 0.34 -3.41 -0.10 0.00 -0.02 0.00 0.00 41.12 37.93 3dhw n ASP 264 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhw s VAL 266 N -3.92 4.98 -0.43 0.00 1.01 -1.26 -4.93 120.40 115.85 3dhw s VAL 266 Ca 0.12 0.71 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 3dhw s VAL 266 Cb 0.08 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3dhw s VAL 266 CO -0.07 0.37 1.02 -2.16 0.00 0.00 0.00 175.10 174.27 3dhw s PRO 267 N -1.65 3.74 0.29 2.72 0.04 -1.26 -1.41 135.00 137.47 3dhw s PRO 267 Ca 0.32 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 3dhw s PRO 267 Cb -0.15 -3.87 -0.10 0.00 0.04 0.00 0.00 34.50 30.42 3dhw s PRO 267 CO 0.17 -1.18 1.27 1.41 0.04 0.00 0.00 177.00 178.71 3dhw s MET 268 N 3.94 4.42 0.07 4.56 1.75 -0.77 -3.16 119.30 130.11 3dhw s MET 268 Ca 0.42 2.10 0.08 0.00 -1.25 0.00 0.00 55.69 57.05 3dhw s MET 268 Cb -0.10 -3.12 -0.03 0.00 2.84 0.00 0.00 34.83 34.42 3dhw s MET 268 CO 0.25 -0.12 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.77 3dhw s LEU 269 N -1.33 2.23 -0.28 4.11 1.43 -0.66 -3.43 118.68 120.74 3dhw s LEU 269 Ca 0.50 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 3dhw s LEU 269 Cb -0.38 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3dhw s LEU 269 CO 0.47 0.14 0.17 -0.60 0.23 0.00 0.00 176.35 176.76 3dhw s ARG 270 N -1.54 3.87 -0.28 1.70 3.52 -0.46 -0.50 118.95 125.27 3dhw s ARG 270 Ca 0.08 -0.37 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 3dhw s ARG 270 Cb -0.09 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3dhw s ARG 270 CO 0.03 -0.20 0.08 -0.51 -0.81 0.00 0.00 175.30 173.89 3dhw s LEU 271 N 1.73 3.68 -0.13 -0.88 1.43 0.35 -2.71 118.68 122.15 3dhw s LEU 271 Ca 0.07 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3dhw s LEU 271 Cb -0.16 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3dhw s LEU 271 CO 0.10 -0.13 -0.12 -0.70 0.23 0.00 0.00 176.35 175.73 3dhw s GLU 272 N 1.55 3.43 -0.03 1.70 2.12 -0.57 0.21 118.70 127.11 3dhw s GLU 272 Ca 0.04 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.74 3dhw s GLU 272 Cb -0.16 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 3dhw s GLU 272 CO 0.03 0.22 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.82 3dhw s PHE 273 N 0.36 2.84 0.94 5.30 0.08 1.10 -1.41 117.98 127.20 3dhw s PHE 273 Ca -0.10 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 56.74 3dhw s PHE 273 Cb -0.16 -1.63 0.18 0.00 -0.57 0.00 0.00 43.02 40.84 3dhw s PHE 273 CO 0.05 0.32 1.30 0.95 -0.10 0.00 0.00 175.22 177.73 3dhw s THR 274 N -0.88 1.99 0.00 0.64 -4.23 -1.26 -2.61 115.64 109.29 3dhw s THR 274 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3dhw s THR 274 Cb -0.11 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3dhw s THR 274 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3dhw n GLY 275 N -3.62 0.30 3.13 3.99 0.00 -1.24 -4.53 105.19 103.22 3dhw n GLY 275 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3dhw n GLY 275 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhw n GLN 276 N 1.61 -1.95 -2.22 1.61 6.02 -1.26 -4.79 117.38 116.40 3dhw n GLN 276 Ca 0.00 -0.57 -0.26 0.00 -0.01 0.00 0.00 57.00 56.17 3dhw n GLN 276 Cb 0.00 -1.55 0.07 0.00 1.02 0.00 0.00 30.24 29.77 3dhw n GLN 276 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3dhw s SER 277 N -1.89 4.83 0.26 1.08 0.01 -1.26 -4.78 113.70 111.94 3dhw s SER 277 Ca 0.46 0.44 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 3dhw s SER 277 Cb -0.07 -1.10 0.28 0.00 0.21 0.00 0.00 66.02 65.34 3dhw s SER 277 CO 0.50 -1.58 1.93 0.58 0.41 0.00 0.00 173.24 175.08 3dhw h VAL 278 N -0.58 1.25 -0.97 3.43 2.07 -2.00 -3.21 116.25 116.25 3dhw h VAL 278 Ca -0.44 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3dhw h VAL 278 Cb 1.32 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3dhw h VAL 278 CO 0.60 0.25 0.64 0.44 0.02 0.00 0.00 177.57 179.52 3dhw h ASP 279 N 1.31 1.11 -4.64 0.57 3.32 -2.04 -3.45 116.42 112.59 3dhw h ASP 279 Ca 0.35 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3dhw h ASP 279 Cb -0.13 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.15 3dhw h ASP 279 CO -0.07 0.80 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 3dhw n ALA 280 N -2.39 -0.93 -0.33 3.45 0.00 -1.22 -4.64 120.51 114.46 3dhw n ALA 280 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 3dhw n ALA 280 Cb 0.03 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.68 3dhw n ALA 280 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dhw n PRO 281 N -0.46 2.86 -0.02 0.00 -0.04 -1.26 -4.58 135.00 131.50 3dhw n PRO 281 Ca 0.00 -2.02 -0.11 0.00 -0.04 0.00 0.00 63.50 61.33 3dhw n PRO 281 Cb 0.00 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 3dhw n PRO 281 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dhw h LEU 282 N 1.97 0.17 -0.39 1.53 3.38 -1.98 0.34 115.31 120.34 3dhw h LEU 282 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dhw h LEU 282 Cb 1.78 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 3dhw h LEU 282 CO 0.49 0.16 0.18 -0.07 0.09 0.00 0.00 178.44 179.29 3dhw h LEU 283 N 0.17 0.51 -0.97 1.67 3.38 -1.98 0.13 115.31 118.22 3dhw h LEU 283 Ca 0.05 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dhw h LEU 283 Cb 0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3dhw h LEU 283 CO -0.01 0.51 0.63 0.28 0.09 0.00 0.00 178.44 179.94 3dhw h SER 284 N 0.48 1.12 -1.01 -0.43 0.02 -1.87 -2.30 113.55 109.57 3dhw h SER 284 Ca 0.13 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3dhw h SER 284 Cb 0.14 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 3dhw h SER 284 CO -0.01 0.83 0.67 -0.08 -1.14 0.00 0.00 176.83 177.09 3dhw h GLU 285 N 1.32 1.32 -0.89 3.45 4.57 0.14 -1.82 114.58 122.66 3dhw h GLU 285 Ca 0.35 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3dhw h GLU 285 Cb -0.13 -0.30 -0.04 0.00 -0.16 0.00 0.00 28.75 28.12 3dhw h GLU 285 CO -0.07 0.87 0.49 1.79 -1.18 0.00 0.00 179.01 180.91 3dhw h THR 286 N 1.36 1.26 -0.00 0.32 1.35 -0.45 -1.48 112.91 115.26 3dhw h THR 286 Ca 0.37 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3dhw h THR 286 Cb -0.14 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.33 3dhw h THR 286 CO -0.09 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 175.47 3dhw h ALA 287 N 1.27 0.00 -0.01 6.62 0.00 -1.31 0.12 119.26 125.94 3dhw h ALA 287 Ca 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dhw h ALA 287 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dhw h ALA 287 CO -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 179.25 178.74 3dhw h ARG 288 N -0.06 0.02 -0.37 0.00 3.08 -1.30 -0.58 114.38 115.16 3dhw h ARG 288 Ca 0.00 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3dhw h ARG 288 Cb 0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dhw h ARG 288 CO -0.00 0.09 -0.41 0.00 -1.07 0.00 0.00 179.97 178.58 3dhw h ARG 289 N -0.06 0.94 -0.11 0.04 3.08 -1.24 -3.35 114.38 113.68 3dhw h ARG 289 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3dhw h ARG 289 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3dhw h ARG 289 CO -0.00 1.16 0.00 1.19 -1.07 0.00 0.00 179.97 181.25 3dhw n PHE 290 N -4.05 0.13 -3.36 3.04 0.99 0.40 -5.02 117.46 109.59 3dhw n PHE 290 Ca -0.03 -0.12 -0.19 0.00 -0.00 0.00 0.00 57.45 57.11 3dhw n PHE 290 Cb 0.56 -0.01 0.06 0.00 -1.00 0.00 0.00 39.48 39.10 3dhw n PHE 290 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3dhw n ASN 291 N 0.67 -6.14 -4.28 4.37 2.85 -0.23 -4.92 115.26 107.57 3dhw n ASN 291 Ca 0.08 -0.78 -0.16 0.00 -0.11 0.00 0.00 54.58 53.62 3dhw n ASN 291 Cb 0.34 -4.80 -0.10 0.00 1.24 0.00 0.00 39.78 36.46 3dhw n ASN 291 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3dhw s VAL 292 N -3.41 1.37 -0.10 3.44 -7.23 -1.20 -4.69 120.40 108.58 3dhw s VAL 292 Ca 0.44 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 3dhw s VAL 292 Cb -0.08 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3dhw s VAL 292 CO 0.77 -0.68 -0.24 0.20 -0.31 0.00 0.00 175.10 174.85 3dhw s ASN 293 N -3.17 3.12 -0.23 4.85 0.01 -1.15 -4.03 114.94 114.34 3dhw s ASN 293 Ca 0.18 -0.56 -0.05 0.00 -0.71 0.00 0.00 52.86 51.72 3dhw s ASN 293 Cb 0.01 -1.42 -0.02 0.00 0.41 0.00 0.00 41.25 40.23 3dhw s ASN 293 CO 0.03 0.16 0.01 0.20 -1.51 0.00 0.00 177.10 175.98 3dhw s ASN 294 N 0.36 4.71 -0.23 -1.22 0.01 -1.26 -1.25 114.94 116.06 3dhw s ASN 294 Ca -0.18 -0.30 -0.05 0.00 -0.71 0.00 0.00 52.86 51.62 3dhw s ASN 294 Cb -0.18 -1.83 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 3dhw s ASN 294 CO 0.08 -0.02 0.01 0.20 -1.51 0.00 0.00 177.10 175.86 3dhw s ASN 295 N 1.52 4.67 -0.32 -1.22 -0.87 -0.88 -5.02 114.94 112.82 3dhw s ASN 295 Ca 0.06 -0.31 -0.13 0.00 -1.57 0.00 0.00 52.86 50.91 3dhw s ASN 295 Cb -0.15 -1.82 -0.03 0.00 -0.02 0.00 0.00 41.25 39.24 3dhw s ASN 295 CO 0.00 -0.03 0.24 -0.63 -2.57 0.00 0.00 177.10 174.12 3dhw s ILE 296 N 1.54 5.28 0.09 0.60 1.01 -1.26 -1.13 121.20 127.32 3dhw s ILE 296 Ca 0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 3dhw s ILE 296 Cb -0.15 -3.67 -0.14 0.00 0.01 0.00 0.00 42.46 38.51 3dhw s ILE 296 CO -0.00 0.06 1.73 0.40 0.00 0.00 0.00 174.94 177.13 3dhw h ILE 297 N 5.46 1.02 -1.85 2.92 1.08 -1.55 -3.48 117.51 121.12 3dhw h ILE 297 Ca -0.32 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 3dhw h ILE 297 Cb 1.17 1.00 -0.20 0.00 -3.07 0.00 0.00 36.82 35.71 3dhw h ILE 297 CO 0.62 0.01 0.34 -0.55 -0.69 0.00 0.00 178.15 177.88 3dhw s SER 298 N -5.23 -0.54 0.05 1.72 0.15 -0.38 -4.89 113.70 104.59 3dhw s SER 298 Ca -0.13 0.57 -0.27 0.00 0.70 0.00 0.00 55.95 56.82 3dhw s SER 298 Cb 0.06 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.91 3dhw s SER 298 CO 0.66 -0.51 0.81 0.00 1.20 0.00 0.00 173.24 175.40 3dhw s ALA 299 N -1.24 -1.75 0.21 5.45 0.00 -1.26 0.69 121.76 123.85 3dhw s ALA 299 Ca -0.07 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 3dhw s ALA 299 Cb -0.00 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.72 3dhw s ALA 299 CO 0.06 -0.73 0.63 -0.65 0.00 0.00 0.00 175.76 175.07 3dhw s GLN 300 N -3.31 1.48 0.05 0.00 -0.21 -1.13 -5.05 119.66 111.48 3dhw s GLN 300 Ca 0.04 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 3dhw s GLN 300 Cb -0.01 0.58 -0.01 0.00 1.00 0.00 0.00 33.01 34.57 3dhw s GLN 300 CO -0.10 -0.66 0.10 -1.64 -2.12 0.00 0.00 175.29 170.87 3dhw s MET 301 N -3.83 0.64 0.24 2.91 -1.94 -1.26 -2.59 119.30 113.47 3dhw s MET 301 Ca 0.06 -0.86 -0.22 0.00 -1.71 0.00 0.00 55.69 52.96 3dhw s MET 301 Cb -0.03 0.25 0.04 0.00 2.01 0.00 0.00 34.83 37.10 3dhw s MET 301 CO -0.04 -0.16 0.70 0.16 -0.01 0.00 0.00 175.02 175.66 3dhw s ASP 302 N -2.38 -0.34 -0.32 3.03 3.84 -1.13 -5.01 116.67 114.36 3dhw s ASP 302 Ca -0.01 -0.44 -0.11 0.00 -0.00 0.00 0.00 52.55 51.99 3dhw s ASP 302 Cb 0.01 0.68 -0.02 0.00 -1.38 0.00 0.00 42.92 42.22 3dhw s ASP 302 CO -0.07 -1.23 0.19 -0.31 -0.00 0.00 0.00 175.17 173.76 3dhw s TYR 303 N -3.85 3.20 -0.11 2.11 1.51 -1.26 -2.88 117.35 116.08 3dhw s TYR 303 Ca 0.08 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3dhw s TYR 303 Cb -0.04 -2.41 0.04 0.00 -0.11 0.00 0.00 41.96 39.44 3dhw s TYR 303 CO 0.01 -0.39 0.04 0.00 -1.11 0.00 0.00 175.55 174.10 3dhw s ALA 304 N 1.67 0.60 -0.67 3.71 0.00 -1.25 -4.75 121.76 121.07 3dhw s ALA 304 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3dhw s ALA 304 Cb -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3dhw s ALA 304 CO 0.08 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3dhw n GLY 305 N 5.19 0.82 1.49 0.00 0.00 -1.25 -3.82 105.19 107.62 3dhw n GLY 305 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3dhw n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhw n GLY 306 N -2.11 1.48 3.04 -0.02 0.00 -1.26 -4.31 105.19 102.00 3dhw n GLY 306 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 3dhw n GLY 306 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dhw s VAL 307 N -2.51 0.78 0.25 1.61 -7.23 -1.25 -5.12 120.40 106.94 3dhw s VAL 307 Ca 0.00 -0.45 -0.31 0.00 -1.81 0.00 0.00 61.98 59.41 3dhw s VAL 307 Cb 0.00 -0.66 -0.12 0.00 0.56 0.00 0.00 36.38 36.16 3dhw s VAL 307 CO 0.00 0.20 1.67 1.17 -0.31 0.00 0.00 175.10 177.83 3dhw n LYS 308 N 2.79 2.77 -4.55 4.82 4.81 -1.26 -3.84 118.16 123.69 3dhw n LYS 308 Ca -0.14 0.99 -0.33 0.00 -0.87 0.00 0.00 58.31 57.96 3dhw n LYS 308 Cb 0.57 -2.81 -0.14 0.00 0.02 0.00 0.00 35.03 32.66 3dhw n LYS 308 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3dhw s PHE 309 N 0.62 2.85 -0.12 5.64 0.08 -1.14 -3.72 117.98 122.19 3dhw s PHE 309 Ca 0.70 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 57.03 3dhw s PHE 309 Cb -0.50 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 3dhw s PHE 309 CO 0.40 -0.30 -0.13 0.20 -0.10 0.00 0.00 175.22 175.29 3dhw s GLY 310 N 0.62 1.01 -0.10 4.36 0.00 -1.07 -2.84 107.32 109.29 3dhw s GLY 310 Ca -0.06 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 43.97 3dhw s GLY 310 CO 0.03 0.40 -0.23 -0.42 0.00 0.00 0.00 173.10 172.87 3dhw s ILE 311 N 1.21 1.99 0.02 0.90 1.01 -1.07 0.35 121.20 125.62 3dhw s ILE 311 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3dhw s ILE 311 Cb -0.14 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3dhw s ILE 311 CO -0.05 0.54 -0.04 -0.04 0.00 0.00 0.00 174.94 175.36 3dhw s MET 312 N 0.39 0.30 -0.20 2.79 -1.94 0.57 -2.83 119.30 118.37 3dhw s MET 312 Ca -0.18 -0.46 -0.02 0.00 -1.71 0.00 0.00 55.69 53.32 3dhw s MET 312 Cb -0.18 -0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.60 3dhw s MET 312 CO 0.08 0.00 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.49 3dhw s LEU 313 N -1.01 2.66 -0.07 -0.03 1.43 0.22 0.13 118.68 122.00 3dhw s LEU 313 Ca -0.09 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3dhw s LEU 313 Cb -0.07 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3dhw s LEU 313 CO -0.00 -0.01 0.17 0.42 0.23 0.00 0.00 176.35 177.16 3dhw s THR 314 N 1.37 -0.02 0.12 5.49 -4.23 0.35 -1.25 115.64 117.47 3dhw s THR 314 Ca 0.05 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 3dhw s THR 314 Cb -0.14 -0.26 -0.07 0.00 1.34 0.00 0.00 72.50 73.38 3dhw s THR 314 CO -0.06 0.03 1.14 -1.61 -0.54 0.00 0.00 174.62 173.59 3dhw s GLU 315 N 0.58 4.52 -0.25 3.99 2.02 -0.29 -1.65 118.70 127.62 3dhw s GLU 315 Ca -0.04 1.74 0.03 0.00 0.02 0.00 0.00 54.97 56.71 3dhw s GLU 315 Cb -0.06 -3.31 0.06 0.00 0.10 0.00 0.00 34.13 30.92 3dhw s GLU 315 CO -0.03 -0.08 -0.12 1.41 0.02 0.00 0.00 175.26 176.46 3dhw s MET 316 N 0.30 2.30 0.58 1.61 1.75 -1.19 -2.07 119.30 122.58 3dhw s MET 316 Ca 0.54 -1.30 -0.10 0.00 -1.25 0.00 0.00 55.69 53.58 3dhw s MET 316 Cb -0.29 -2.86 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 3dhw s MET 316 CO 0.32 -0.54 0.96 -1.01 -0.65 0.00 0.00 175.02 174.11 3dhw s HIS 317 N 1.12 3.61 -5.00 4.11 3.76 -0.38 -4.36 115.29 118.15 3dhw s HIS 317 Ca -0.08 1.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 3dhw s HIS 317 Cb -0.19 -2.61 0.00 0.00 1.11 0.00 0.00 32.58 30.89 3dhw s HIS 317 CO -0.06 -0.57 0.00 0.41 -0.85 0.00 0.00 174.74 173.67 3dhw n GLY 318 N -2.59 -2.20 3.78 -2.22 0.00 -1.26 -2.95 105.19 97.75 3dhw n GLY 318 Ca 0.05 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 3dhw n GLY 318 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dhw s THR 319 N -1.95 3.41 0.19 2.61 2.01 -1.26 -4.74 115.64 115.92 3dhw s THR 319 Ca 0.00 0.49 -0.12 0.00 0.31 0.00 0.00 61.69 62.37 3dhw s THR 319 Cb 0.00 -3.01 0.11 0.00 0.01 0.00 0.00 72.50 69.61 3dhw s THR 319 CO 0.00 -0.57 1.86 1.56 -0.69 0.00 0.00 174.62 176.78 3dhw h GLN 320 N -0.87 0.85 -0.44 4.92 1.08 -2.01 -1.56 115.11 117.08 3dhw h GLN 320 Ca -0.44 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 56.57 3dhw h GLN 320 Cb 1.23 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 3dhw h GLN 320 CO 0.53 0.56 -0.28 1.96 -0.95 0.00 0.00 178.83 180.65 3dhw h GLN 321 N 0.87 0.95 -0.95 1.46 4.20 -2.00 -3.19 115.11 116.45 3dhw h GLN 321 Ca 0.24 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.53 3dhw h GLN 321 Cb -0.10 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3dhw h GLN 321 CO -0.05 1.10 0.63 -0.44 -0.67 0.00 0.00 178.83 179.40 3dhw h ASP 322 N 0.80 1.07 -0.36 1.46 3.32 -1.73 0.41 116.42 121.39 3dhw h ASP 322 Ca 0.09 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 3dhw h ASP 322 Cb 0.86 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3dhw h ASP 322 CO 0.08 0.76 -0.41 0.71 -1.72 0.00 0.00 179.24 178.66 3dhw h THR 323 N 1.26 1.27 -0.98 0.35 1.35 -1.43 0.56 112.91 115.29 3dhw h THR 323 Ca 0.36 -1.59 0.01 0.00 -0.55 0.00 0.00 66.41 64.64 3dhw h THR 323 Cb -0.09 1.44 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 3dhw h THR 323 CO -0.09 0.53 0.63 1.56 -0.25 0.00 0.00 175.52 177.90 3dhw h GLN 324 N 0.73 1.30 -0.93 4.72 4.20 -1.41 -2.47 115.11 121.25 3dhw h GLN 324 Ca 0.05 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3dhw h GLN 324 Cb 1.01 -0.29 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 3dhw h GLN 324 CO 0.10 0.87 0.61 0.00 -0.67 0.00 0.00 178.83 179.75 3dhw h ALA 325 N 1.35 1.18 -0.68 3.87 0.00 0.44 -2.86 119.26 122.56 3dhw h ALA 325 Ca 0.36 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3dhw h ALA 325 Cb -0.13 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.26 3dhw h ALA 325 CO -0.07 0.59 0.11 0.00 0.00 0.00 0.00 179.25 179.87 3dhw h ALA 326 N 1.34 0.92 -0.95 0.00 0.00 -0.48 -2.23 119.26 117.85 3dhw h ALA 326 Ca 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dhw h ALA 326 Cb -0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 3dhw h ALA 326 CO -0.07 0.67 0.59 -0.84 0.00 0.00 0.00 179.25 179.60 3dhw h ILE 327 N 1.04 1.26 -0.56 0.00 3.07 -1.23 0.15 117.51 121.24 3dhw h ILE 327 Ca 0.21 -0.52 -0.11 0.00 1.55 0.00 0.00 64.86 65.98 3dhw h ILE 327 Cb 0.44 -0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 36.86 3dhw h ILE 327 CO 0.01 0.26 -0.10 0.00 -1.05 0.00 0.00 178.15 177.28 3dhw h ALA 328 N 1.33 0.76 -0.22 0.16 0.00 -1.51 0.52 119.26 120.31 3dhw h ALA 328 Ca 0.34 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dhw h ALA 328 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3dhw h ALA 328 CO -0.07 0.67 0.13 2.35 0.00 0.00 0.00 179.25 182.33 3dhw h TRP 329 N 0.93 0.24 -0.89 0.00 7.01 -0.60 -0.18 115.95 122.46 3dhw h TRP 329 Ca 0.15 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3dhw h TRP 329 Cb 0.67 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 3dhw h TRP 329 CO 0.05 0.15 0.51 -0.07 -2.79 0.00 0.00 178.44 176.28 3dhw h LEU 330 N 0.27 1.09 -1.00 0.65 3.38 -0.64 -2.98 115.31 116.09 3dhw h LEU 330 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dhw h LEU 330 Cb -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3dhw h LEU 330 CO -0.03 0.86 0.59 -0.61 0.09 0.00 0.00 178.44 179.34 3dhw h GLN 331 N 1.23 1.27 -0.83 1.13 4.15 0.84 -1.51 115.11 121.39 3dhw h GLN 331 Ca 0.31 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 3dhw h GLN 331 Cb -0.00 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.37 3dhw h GLN 331 CO -0.05 0.87 0.51 0.93 -1.93 0.00 0.00 178.83 179.16 3dhw h GLU 332 N 1.29 1.11 -0.43 1.69 5.08 -1.08 -1.79 114.58 120.46 3dhw h GLU 332 Ca 0.34 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3dhw h GLU 332 Cb -0.09 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.92 3dhw h GLU 332 CO -0.07 0.76 0.00 0.72 -1.00 0.00 0.00 179.01 179.43 3dhw n HIS 333 N -4.38 0.19 -2.72 4.33 8.25 -0.66 -4.90 115.22 115.33 3dhw n HIS 333 Ca 0.09 -0.08 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 3dhw n HIS 333 Cb 0.05 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.13 3dhw n HIS 333 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dhw n HIS 334 N -0.09 -0.83 -3.87 4.41 8.25 -0.67 -5.06 115.22 117.36 3dhw n HIS 334 Ca 0.04 0.31 -0.35 0.00 -0.26 0.00 0.00 57.72 57.45 3dhw n HIS 334 Cb 0.20 -2.45 -0.14 0.00 1.12 0.00 0.00 29.99 28.73 3dhw n HIS 334 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dhw s VAL 335 N -3.10 3.60 -0.03 1.59 1.01 -0.69 -4.12 120.40 118.67 3dhw s VAL 335 Ca 0.13 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3dhw s VAL 335 Cb -0.06 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3dhw s VAL 335 CO 0.22 0.40 0.99 -0.54 0.00 0.00 0.00 175.10 176.18 3dhw s LYS 336 N 1.51 4.52 -0.10 2.72 -0.14 -0.50 -4.03 119.74 123.72 3dhw s LYS 336 Ca 0.06 1.42 0.04 0.00 -1.36 0.00 0.00 55.97 56.13 3dhw s LYS 336 Cb -0.14 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.53 3dhw s LYS 336 CO -0.02 -0.12 -0.24 0.08 -0.76 0.00 0.00 175.35 174.30 3dhw s VAL 337 N 1.27 2.02 -0.01 3.17 1.01 -1.26 -1.52 120.40 125.09 3dhw s VAL 337 Ca 0.51 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3dhw s VAL 337 Cb -0.20 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3dhw s VAL 337 CO 0.25 0.55 -0.09 -0.70 0.00 0.00 0.00 175.10 175.11 3dhw s GLU 338 N 0.36 0.77 -0.23 2.72 2.12 -1.10 -4.98 118.70 118.36 3dhw s GLU 338 Ca -0.19 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.77 3dhw s GLU 338 Cb -0.18 -0.74 0.00 0.00 0.26 0.00 0.00 34.13 33.47 3dhw s GLU 338 CO 0.09 0.20 -0.04 0.08 -0.54 0.00 0.00 175.26 175.05 3dhw s VAL 339 N -0.23 3.28 0.13 3.70 1.01 -1.26 -1.36 120.40 125.67 3dhw s VAL 339 Ca 0.04 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3dhw s VAL 339 Cb -0.04 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3dhw s VAL 339 CO -0.00 0.33 1.45 -0.07 0.00 0.00 0.00 175.10 176.81 3dhw h LEU 340 N 8.10 0.95 0.00 3.92 3.38 -1.93 -3.50 115.31 126.22 3dhw h LEU 340 Ca -0.38 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3dhw h LEU 340 Cb 1.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3dhw h LEU 340 CO 0.60 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.97 3dhw n GLY 341 N 0.18 -1.43 3.31 0.83 0.00 -1.26 -4.93 105.19 101.90 3dhw n GLY 341 Ca -0.03 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3dhw n GLY 341 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhw s TYR 342 N -2.69 2.33 0.00 1.61 1.51 -1.19 -1.84 117.35 117.08 3dhw s TYR 342 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 3dhw s TYR 342 Cb 0.00 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 3dhw s TYR 342 CO 0.00 -0.04 0.37 0.28 -1.11 0.00 0.00 175.55 175.06