#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhg s MET 3 N 0.00 2.46 0.04 0.00 1.00 -1.26 -5.12 119.30 116.42 3dhg s MET 3 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 55.69 54.74 3dhg s MET 3 Cb 0.00 -2.36 -0.06 0.00 0.00 0.00 0.00 34.83 32.41 3dhg s MET 3 CO 0.00 0.62 0.69 -1.01 0.00 0.00 0.00 175.02 175.32 3dhg s HIS 4 N -0.76 3.73 0.35 -0.03 0.09 -1.26 -5.03 115.29 112.39 3dhg s HIS 4 Ca 0.12 1.37 -0.27 0.00 -0.00 0.00 0.00 55.06 56.29 3dhg s HIS 4 Cb -0.11 -2.72 -0.12 0.00 -0.00 0.00 0.00 32.58 29.63 3dhg s HIS 4 CO 0.01 0.34 1.05 -2.30 -0.00 0.00 0.00 174.74 173.84 3dhg n PRO 5 N 2.63 1.48 -0.33 8.40 -0.02 -1.26 -4.87 135.00 141.03 3dhg n PRO 5 Ca -0.05 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 3dhg n PRO 5 Cb 0.50 -2.00 0.26 0.00 -0.02 0.00 0.00 33.50 32.25 3dhg n PRO 5 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3dhg h ARG 6 N 1.90 0.72 0.00 -0.52 2.43 -2.00 -2.09 114.38 114.81 3dhg h ARG 6 Ca -0.43 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3dhg h ARG 6 Cb 1.33 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3dhg h ARG 6 CO 0.59 0.48 -0.02 1.57 -1.51 0.00 0.00 179.97 181.08 3dhg h LYS 7 N 0.74 0.00 0.00 0.20 2.10 -2.00 -0.70 116.57 116.91 3dhg h LYS 7 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 3dhg h LYS 7 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 3dhg h LYS 7 CO -0.35 0.02 0.00 -0.44 -2.00 0.00 0.00 179.45 176.68 3dhg h ASP 8 N 0.00 0.00 0.00 7.07 3.32 -1.73 -3.36 116.42 121.72 3dhg h ASP 8 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dhg h ASP 8 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3dhg h ASP 8 CO 0.00 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.85 3dhg n TRP 9 N -3.07 0.00 -0.16 4.55 4.27 -0.81 -4.82 117.44 117.39 3dhg n TRP 9 Ca 0.04 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.66 3dhg n TRP 9 Cb 0.51 0.00 0.29 0.00 -1.36 0.00 0.00 31.31 30.75 3dhg n TRP 9 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 3dhg h TYR 10 N 0.00 0.83 -0.56 -2.67 3.20 -1.30 -1.87 116.97 114.60 3dhg h TYR 10 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3dhg h TYR 10 Cb 0.06 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3dhg h TYR 10 CO 0.00 0.52 0.37 0.93 -1.64 0.00 0.00 178.16 178.34 3dhg h GLU 11 N 0.90 0.62 0.00 1.82 4.39 -1.86 -1.80 114.58 118.65 3dhg h GLU 11 Ca 0.25 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 3dhg h GLU 11 Cb -0.09 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 3dhg h GLU 11 CO -0.06 0.41 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.84 3dhg h LEU 12 N 0.64 0.00 -1.82 1.33 3.38 -1.70 -1.99 115.31 115.15 3dhg h LEU 12 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3dhg h LEU 12 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dhg h LEU 12 CO -0.06 0.30 -0.13 0.71 0.09 0.00 0.00 178.44 179.35 3dhg h THR 13 N 0.00 0.97 -0.25 0.22 1.35 -1.33 -2.81 112.91 111.05 3dhg h THR 13 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3dhg h THR 13 Cb 0.60 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3dhg h THR 13 CO 0.04 0.12 0.00 0.54 -0.25 0.00 0.00 175.52 175.97 3dhg n ARG 14 N -4.21 2.44 -2.38 4.72 1.74 -0.81 -4.64 116.66 113.52 3dhg n ARG 14 Ca -0.02 -2.15 -0.42 0.00 -0.77 0.00 0.00 57.85 54.49 3dhg n ARG 14 Cb 0.20 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3dhg n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dhg n ALA 15 N 1.44 5.78 -0.08 7.54 0.00 -0.83 -4.53 120.51 129.82 3dhg n ALA 15 Ca 0.17 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.25 3dhg n ALA 15 Cb 0.60 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3dhg n ALA 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dhg n THR 16 N 2.29 0.00 -2.15 0.00 -2.24 -1.26 -5.02 114.28 105.90 3dhg n THR 16 Ca 0.44 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 3dhg n THR 16 Cb 0.32 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 3dhg n THR 16 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3dhg s ASN 17 N -0.45 6.45 0.12 3.42 -0.87 -1.26 -5.06 114.94 117.28 3dhg s ASN 17 Ca 0.00 2.54 -0.05 0.00 -1.57 0.00 0.00 52.86 53.78 3dhg s ASN 17 Cb 0.00 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.25 38.58 3dhg s ASN 17 CO 0.00 -0.75 0.15 -1.66 -2.57 0.00 0.00 177.10 172.28 3dhg s TRP 18 N -1.29 0.50 -0.47 2.20 -2.14 -1.26 -5.13 118.94 111.35 3dhg s TRP 18 Ca 0.56 -0.90 -0.21 0.00 2.66 0.00 0.00 56.10 58.21 3dhg s TRP 18 Cb -0.36 -0.23 0.03 0.00 -3.10 0.00 0.00 33.47 29.82 3dhg s TRP 18 CO 0.46 -0.58 0.68 0.99 -2.66 0.00 0.00 176.95 175.84 3dhg s THR 19 N -3.96 4.78 0.69 0.66 2.01 -1.26 -5.05 115.64 113.51 3dhg s THR 19 Ca 0.15 0.01 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 3dhg s THR 19 Cb 0.06 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3dhg s THR 19 CO -0.03 -0.70 1.17 -2.16 -0.69 0.00 0.00 174.62 172.20 3dhg s PRO 20 N 2.92 2.49 0.00 4.92 0.04 -1.26 -4.96 135.00 139.15 3dhg s PRO 20 Ca 0.22 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3dhg s PRO 20 Cb -0.15 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3dhg s PRO 20 CO 0.18 -1.54 0.00 0.43 0.04 0.00 0.00 177.00 176.11 3dhg n SER 21 N -2.48 1.97 0.05 6.66 7.64 -1.26 -4.77 113.62 121.42 3dhg n SER 21 Ca 0.12 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.09 3dhg n SER 21 Cb 0.51 0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 3dhg n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3dhg n TYR 22 N -1.36 0.68 -4.39 1.43 4.01 -1.26 -4.80 117.16 111.46 3dhg n TYR 22 Ca 0.00 0.20 -0.20 0.00 -0.16 0.00 0.00 57.90 57.75 3dhg n TYR 22 Cb 0.21 -0.86 -0.10 0.00 -0.31 0.00 0.00 39.34 38.27 3dhg n TYR 22 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3dhg s VAL 23 N -3.30 1.29 0.65 -0.72 -7.23 -1.26 -5.18 120.40 104.65 3dhg s VAL 23 Ca -0.03 -2.06 -0.09 0.00 -1.81 0.00 0.00 61.98 57.99 3dhg s VAL 23 Cb 0.10 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.56 3dhg s VAL 23 CO 0.83 -0.24 1.00 0.42 -0.31 0.00 0.00 175.10 176.80 3dhg s THR 24 N -3.24 3.61 0.24 5.32 -4.23 -1.26 -4.71 115.64 111.37 3dhg s THR 24 Ca 0.31 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3dhg s THR 24 Cb 0.06 -3.48 0.22 0.00 1.34 0.00 0.00 72.50 70.64 3dhg s THR 24 CO 0.11 -0.57 1.87 -0.08 -0.54 0.00 0.00 174.62 175.42 3dhg h GLU 25 N -0.41 1.03 -0.05 3.99 4.81 -1.98 -1.94 114.58 120.02 3dhg h GLU 25 Ca -0.45 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 3dhg h GLU 25 Cb 1.25 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3dhg h GLU 25 CO 0.62 0.68 -0.46 1.49 -0.73 0.00 0.00 179.01 180.61 3dhg h GLU 26 N 1.06 0.13 -0.45 1.92 4.57 -1.94 -0.20 114.58 119.68 3dhg h GLU 26 Ca 0.37 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.40 3dhg h GLU 26 Cb 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3dhg h GLU 26 CO -0.14 0.57 -0.04 1.96 -1.18 0.00 0.00 179.01 180.18 3dhg h GLN 27 N 0.11 0.81 -0.25 1.92 4.20 -1.84 -1.94 115.11 118.11 3dhg h GLN 27 Ca 0.01 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.25 3dhg h GLN 27 Cb 0.86 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 3dhg h GLN 27 CO 0.07 0.89 -0.57 1.25 -0.67 0.00 0.00 178.83 179.80 3dhg h LEU 28 N 0.65 0.89 -6.02 1.46 5.85 -1.14 -3.35 115.31 113.65 3dhg h LEU 28 Ca 0.12 -0.49 -0.59 0.00 0.84 0.00 0.00 57.88 57.77 3dhg h LEU 28 Cb 0.55 -0.26 -0.42 0.00 0.37 0.00 0.00 40.66 40.91 3dhg h LEU 28 CO 0.03 1.27 -0.69 0.49 -0.34 0.00 0.00 178.44 179.20 3dhg n PHE 29 N -3.99 3.05 -1.89 1.25 3.72 -0.10 -5.00 117.46 114.50 3dhg n PHE 29 Ca -0.04 -4.04 -0.41 0.00 -0.05 0.00 0.00 57.45 52.90 3dhg n PHE 29 Cb 0.63 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3dhg n PHE 29 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dhg s PRO 30 N -2.46 4.19 0.30 -1.08 0.04 -0.73 -4.66 135.00 130.61 3dhg s PRO 30 Ca 0.41 2.45 0.04 0.00 0.04 0.00 0.00 61.00 63.94 3dhg s PRO 30 Cb 0.18 -3.06 0.67 0.00 0.04 0.00 0.00 34.50 32.33 3dhg s PRO 30 CO -0.05 -0.52 1.81 1.49 0.04 0.00 0.00 177.00 179.78 3dhg h GLU 31 N 4.71 0.83 -0.84 4.56 4.57 -1.96 0.16 114.58 126.62 3dhg h GLU 31 Ca -0.47 -0.05 0.13 0.00 -1.18 0.00 0.00 59.36 57.79 3dhg h GLU 31 Cb 1.22 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.56 3dhg h GLU 31 CO 0.77 0.55 0.55 -0.09 -1.18 0.00 0.00 179.01 179.61 3dhg h ARG 32 N 0.86 0.63 0.00 1.92 2.43 -1.97 0.19 114.38 118.45 3dhg h ARG 32 Ca 0.53 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.49 3dhg h ARG 32 Cb 0.70 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3dhg h ARG 32 CO -0.31 0.42 -2.06 -1.33 -1.51 0.00 0.00 179.97 175.18 3dhg n MET 33 N -4.53 0.84 -0.08 0.20 2.81 -0.24 -3.85 117.12 112.27 3dhg n MET 33 Ca 0.16 -0.09 -0.20 0.00 -1.81 0.00 0.00 57.70 55.76 3dhg n MET 33 Cb 0.45 -1.46 -0.13 0.00 -0.71 0.00 0.00 33.22 31.37 3dhg n MET 33 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dhg n SER 34 N -2.43 2.03 -1.24 7.83 2.88 0.41 -0.52 113.62 122.60 3dhg n SER 34 Ca -0.17 0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.27 3dhg n SER 34 Cb 0.81 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 63.63 3dhg n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dhg n GLY 35 N 2.10 0.43 0.00 0.46 0.00 0.66 -2.22 105.19 106.61 3dhg n GLY 35 Ca -0.41 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3dhg n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dhg n HIS 36 N -3.48 0.00 -2.15 1.61 1.44 -1.26 -4.62 115.22 106.75 3dhg n HIS 36 Ca -0.14 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.38 3dhg n HIS 36 Cb 0.53 -0.34 -0.03 0.00 0.12 0.00 0.00 29.99 30.28 3dhg n HIS 36 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dhg n MET 37 N -1.34 -1.67 -0.91 -1.40 2.81 -1.26 -1.01 117.12 112.34 3dhg n MET 37 Ca 0.07 1.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.96 3dhg n MET 37 Cb 0.14 -5.57 0.00 0.00 -0.71 0.00 0.00 33.22 27.08 3dhg n MET 37 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dhg n GLY 38 N -0.79 0.62 3.69 3.03 0.00 -1.26 -5.01 105.19 105.46 3dhg n GLY 38 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3dhg n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dhg s ILE 39 N -2.75 2.94 0.56 -0.61 1.01 -0.18 -4.96 121.20 117.21 3dhg s ILE 39 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.81 3dhg s ILE 39 Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3dhg s ILE 39 CO 0.00 -0.01 1.13 -2.84 0.00 0.00 0.00 174.94 173.22 3dhg s PRO 40 N 2.91 3.28 0.30 2.79 0.02 -1.26 -4.91 135.00 138.13 3dhg s PRO 40 Ca 0.77 1.58 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3dhg s PRO 40 Cb -0.41 -2.00 0.76 0.00 0.02 0.00 0.00 34.50 32.87 3dhg s PRO 40 CO 0.34 -0.90 1.61 1.25 -0.33 0.00 0.00 177.00 178.97 3dhg h LEU 41 N 1.03 -0.18 -1.51 -5.54 5.85 -1.94 -1.57 115.31 111.45 3dhg h LEU 41 Ca -0.50 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3dhg h LEU 41 Cb 1.26 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 3dhg h LEU 41 CO 0.56 -0.26 0.15 -0.08 -0.34 0.00 0.00 178.44 178.48 3dhg h GLU 42 N 0.11 0.48 -0.62 1.25 4.81 -1.95 -2.05 114.58 116.60 3dhg h GLU 42 Ca 0.59 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.69 3dhg h GLU 42 Cb 1.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3dhg h GLU 42 CO -0.77 0.39 0.11 0.87 -0.73 0.00 0.00 179.01 178.88 3dhg h LYS 43 N 0.48 1.01 0.00 1.92 1.79 -1.64 -2.53 116.57 117.60 3dhg h LYS 43 Ca 0.12 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3dhg h LYS 43 Cb 0.07 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3dhg h LYS 43 CO -0.02 0.92 -0.04 -1.49 -1.08 0.00 0.00 179.45 177.74 3dhg h TRP 44 N 0.95 0.00 0.00 -1.35 4.06 -1.44 -3.01 115.95 115.16 3dhg h TRP 44 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 3dhg h TRP 44 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 3dhg h TRP 44 CO 0.03 0.04 0.00 0.93 -3.56 0.00 0.00 178.44 175.88 3dhg h GLU 45 N 0.00 0.00 -0.00 0.49 5.08 -1.44 -2.03 114.58 116.68 3dhg h GLU 45 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhg h GLU 45 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3dhg h GLU 45 CO 0.01 0.00 -0.29 -1.13 -1.00 0.00 0.00 179.01 176.60 3dhg n SER 46 N -2.37 0.69 -4.63 1.42 3.41 -1.14 -4.91 113.62 106.09 3dhg n SER 46 Ca -0.00 -0.54 -0.57 0.00 -0.26 0.00 0.00 58.87 57.49 3dhg n SER 46 Cb 0.11 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 3dhg n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dhg n TYR 47 N -1.03 1.54 -3.46 7.33 9.36 -0.76 -4.95 117.16 125.19 3dhg n TYR 47 Ca 0.10 0.77 -0.26 0.00 3.32 0.00 0.00 57.90 61.82 3dhg n TYR 47 Cb 0.33 -2.31 -0.12 0.00 -0.63 0.00 0.00 39.34 36.61 3dhg n TYR 47 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3dhg s ASP 48 N 1.69 2.76 0.31 2.98 2.15 -1.26 -4.69 116.67 120.62 3dhg s ASP 48 Ca 0.93 -1.78 -0.29 0.00 0.43 0.00 0.00 52.55 51.84 3dhg s ASP 48 Cb -1.13 -0.19 -0.11 0.00 -0.30 0.00 0.00 42.92 41.20 3dhg s ASP 48 CO 0.60 -0.34 1.44 -1.83 -0.17 0.00 0.00 175.17 174.87 3dhg s GLU 49 N 1.47 4.23 0.33 4.34 1.03 -1.26 -4.89 118.70 123.94 3dhg s GLU 49 Ca 0.15 2.39 0.17 0.00 0.03 0.00 0.00 54.97 57.72 3dhg s GLU 49 Cb -0.20 -3.05 0.36 0.00 -0.80 0.00 0.00 34.13 30.44 3dhg s GLU 49 CO -0.11 -0.42 1.58 -1.00 -1.33 0.00 0.00 175.26 173.98 3dhg h PRO 50 N 3.99 0.00 -3.59 -4.83 0.13 -1.99 -3.40 132.00 122.31 3dhg h PRO 50 Ca -0.48 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.92 3dhg h PRO 50 Cb 1.23 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.03 3dhg h PRO 50 CO 0.71 0.43 -0.18 0.71 -0.23 0.00 0.00 178.00 179.44 3dhg s TYR 51 N -3.23 3.59 0.45 1.56 2.02 -1.26 -5.08 117.35 115.40 3dhg s TYR 51 Ca 0.02 -2.58 -0.21 0.00 -0.37 0.00 0.00 57.07 53.93 3dhg s TYR 51 Cb 0.09 -3.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.17 3dhg s TYR 51 CO 0.71 -0.87 1.01 0.15 -1.57 0.00 0.00 175.55 174.99 3dhg s LYS 52 N -0.25 4.02 0.28 -0.62 1.02 -1.26 -4.93 119.74 118.00 3dhg s LYS 52 Ca 0.19 1.31 -0.12 0.00 0.02 0.00 0.00 55.97 57.37 3dhg s LYS 52 Cb -0.15 -2.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3dhg s LYS 52 CO -0.06 -0.23 0.54 -0.08 -0.92 0.00 0.00 175.35 174.59 3dhg s THR 53 N -1.98 0.00 0.11 2.17 -1.32 -1.26 -5.17 115.64 108.19 3dhg s THR 53 Ca 0.64 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 3dhg s THR 53 Cb -0.15 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 3dhg s THR 53 CO 0.19 0.00 -0.01 -0.94 -2.21 0.00 0.00 174.62 171.65 3dhg s SER 54 N -3.06 0.79 0.15 8.08 1.04 -1.26 -5.06 113.70 114.38 3dhg s SER 54 Ca 0.22 -1.09 -0.26 0.00 0.48 0.00 0.00 55.95 55.30 3dhg s SER 54 Cb -0.02 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3dhg s SER 54 CO 0.11 -0.59 1.59 0.22 0.98 0.00 0.00 173.24 175.55 3dhg h TYR 55 N 2.93 -1.08 -0.92 5.02 5.03 -2.01 -1.09 116.97 124.85 3dhg h TYR 55 Ca -0.35 0.06 0.09 0.00 2.58 0.00 0.00 58.73 61.10 3dhg h TYR 55 Cb 1.18 0.52 -0.07 0.00 1.55 0.00 0.00 36.73 39.90 3dhg h TYR 55 CO 0.52 -0.42 0.57 -1.35 -1.32 0.00 0.00 178.16 176.16 3dhg h PRO 56 N -0.35 0.94 -0.46 1.82 0.11 -2.00 -0.50 132.00 131.56 3dhg h PRO 56 Ca 0.13 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 3dhg h PRO 56 Cb 0.57 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3dhg h PRO 56 CO -0.50 0.62 -0.06 0.93 -0.21 0.00 0.00 178.00 178.79 3dhg h GLU 57 N 0.97 0.80 0.19 1.05 5.08 -1.85 -2.87 114.58 117.96 3dhg h GLU 57 Ca 0.43 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3dhg h GLU 57 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3dhg h GLU 57 CO -0.22 0.85 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.62 3dhg h TYR 58 N 0.74 -0.24 -0.06 4.33 3.20 0.15 -0.96 116.97 124.13 3dhg h TYR 58 Ca 0.13 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3dhg h TYR 58 Cb 0.53 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3dhg h TYR 58 CO 0.03 0.16 -0.04 -0.39 -1.64 0.00 0.00 178.16 176.28 3dhg h VAL 59 N -0.76 1.07 -0.01 1.81 -1.51 -1.37 -1.47 116.25 114.00 3dhg h VAL 59 Ca -0.03 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 3dhg h VAL 59 Cb 0.51 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3dhg h VAL 59 CO 0.04 0.09 -0.02 -1.28 -1.23 0.00 0.00 177.57 175.17 3dhg h SER 60 N 0.08 0.04 -0.54 4.19 0.87 -1.33 -1.94 113.55 114.92 3dhg h SER 60 Ca 0.02 -0.57 -0.12 0.00 -1.23 0.00 0.00 61.79 59.89 3dhg h SER 60 Cb 0.13 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3dhg h SER 60 CO 0.01 0.60 -0.12 -0.29 -0.53 0.00 0.00 176.83 176.50 3dhg h ILE 61 N -0.53 1.27 0.01 2.23 2.10 -0.98 -2.73 117.51 118.88 3dhg h ILE 61 Ca 0.00 -1.28 -0.19 0.00 1.08 0.00 0.00 64.86 64.47 3dhg h ILE 61 Cb 0.60 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.28 3dhg h ILE 61 CO 0.00 0.45 -0.87 1.56 -1.08 0.00 0.00 178.15 178.22 3dhg h GLN 62 N 0.92 0.11 -0.21 2.19 1.08 -1.35 -0.43 115.11 117.42 3dhg h GLN 62 Ca 0.14 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 3dhg h GLN 62 Cb 0.69 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 3dhg h GLN 62 CO 0.05 0.90 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.74 3dhg h ARG 63 N 0.06 0.06 -0.72 1.46 2.43 -1.23 -1.50 114.38 114.93 3dhg h ARG 63 Ca -0.03 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3dhg h ARG 63 Cb 1.50 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.00 3dhg h ARG 63 CO 0.12 0.04 0.46 1.49 -1.51 0.00 0.00 179.97 180.57 3dhg h GLU 64 N 0.06 0.89 -0.03 0.20 4.81 -1.19 -1.62 114.58 117.70 3dhg h GLU 64 Ca 0.10 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3dhg h GLU 64 Cb 0.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3dhg h GLU 64 CO -0.18 0.59 -0.03 0.87 -0.73 0.00 0.00 179.01 179.53 3dhg h LYS 65 N 0.91 -0.05 -0.76 1.92 1.57 -0.61 -1.98 116.57 117.57 3dhg h LYS 65 Ca 0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3dhg h LYS 65 Cb -0.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3dhg h LYS 65 CO -0.09 -0.03 0.28 -0.44 -0.57 0.00 0.00 179.45 178.60 3dhg h ASP 66 N -0.05 1.06 -0.81 0.86 3.32 -1.19 -1.00 116.42 118.62 3dhg h ASP 66 Ca 0.02 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3dhg h ASP 66 Cb 0.08 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3dhg h ASP 66 CO -0.06 0.96 0.51 0.00 -1.72 0.00 0.00 179.24 178.93 3dhg h ALA 67 N 1.19 1.09 -0.12 3.45 0.00 -0.85 -1.23 119.26 122.79 3dhg h ALA 67 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dhg h ALA 67 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dhg h ALA 67 CO -0.02 0.30 0.05 0.78 0.00 0.00 0.00 179.25 180.36 3dhg h GLY 68 N 0.97 0.20 1.01 0.00 0.00 -0.95 -1.38 103.07 102.92 3dhg h GLY 68 Ca 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 3dhg h GLY 68 CO -0.14 0.10 0.35 0.00 0.00 0.00 0.00 176.54 176.85 3dhg h ALA 69 N 0.88 0.89 0.07 3.60 0.00 -0.63 -2.43 119.26 121.65 3dhg h ALA 69 Ca 0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 3dhg h ALA 69 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dhg h ALA 69 CO -0.00 0.44 -1.14 1.88 0.00 0.00 0.00 179.25 180.44 3dhg h TYR 70 N 0.96 0.30 -0.65 0.00 0.05 -1.27 -2.72 116.97 113.64 3dhg h TYR 70 Ca 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3dhg h TYR 70 Cb 0.10 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3dhg h TYR 70 CO 0.00 1.16 0.32 0.66 -1.05 0.00 0.00 178.16 179.26 3dhg h SER 71 N 0.05 0.85 -0.42 3.88 4.64 -1.20 -1.38 113.55 119.97 3dhg h SER 71 Ca -0.08 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 3dhg h SER 71 Cb 1.88 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.73 3dhg h SER 71 CO 0.17 0.74 0.14 0.58 -0.87 0.00 0.00 176.83 177.59 3dhg h VAL 72 N 0.90 1.22 -0.32 0.95 2.07 -1.48 -0.33 116.25 119.25 3dhg h VAL 72 Ca 0.23 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3dhg h VAL 72 Cb 0.11 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3dhg h VAL 72 CO -0.03 0.25 0.13 0.50 0.02 0.00 0.00 177.57 178.44 3dhg h LYS 73 N 0.54 0.27 -0.32 1.57 3.64 -1.41 -2.00 116.57 118.85 3dhg h LYS 73 Ca 0.14 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3dhg h LYS 73 Cb 0.25 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3dhg h LYS 73 CO -0.01 0.18 0.16 0.00 -2.27 0.00 0.00 179.45 177.51 3dhg h ALA 74 N 1.19 0.39 0.00 5.00 0.00 -0.96 -2.72 119.26 122.16 3dhg h ALA 74 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dhg h ALA 74 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dhg h ALA 74 CO -0.13 -0.22 -0.21 0.00 0.00 0.00 0.00 179.25 178.69 3dhg h ALA 75 N 1.17 1.15 -0.49 0.00 0.00 -0.88 -3.06 119.26 117.14 3dhg h ALA 75 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dhg h ALA 75 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dhg h ALA 75 CO -0.09 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.71 3dhg n LEU 76 N -3.57 3.47 -0.10 0.00 4.77 -0.77 -4.61 117.00 116.20 3dhg n LEU 76 Ca -0.01 -1.76 0.26 0.00 -0.03 0.00 0.00 56.01 54.48 3dhg n LEU 76 Cb 0.36 -0.33 0.72 0.00 -2.33 0.00 0.00 43.42 41.84 3dhg n LEU 76 CO 0.33 0.82 1.24 -0.33 -1.33 0.00 0.00 177.39 178.11 3dhg h GLU 77 N 3.82 0.00 -0.00 3.23 5.08 -1.38 -0.91 114.58 124.42 3dhg h GLU 77 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhg h GLU 77 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3dhg h GLU 77 CO 0.00 0.00 -0.21 0.54 -1.00 0.00 0.00 179.01 178.34 3dhg n ARG 78 N -4.03 0.13 0.00 2.33 5.12 -1.26 -3.72 116.66 115.24 3dhg n ARG 78 Ca 0.16 -0.05 0.03 0.00 -1.93 0.00 0.00 57.85 56.06 3dhg n ARG 78 Cb 0.90 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.84 3dhg n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dhg n ALA 79 N -1.39 1.42 -3.53 7.54 0.00 -0.35 -4.89 120.51 119.31 3dhg n ALA 79 Ca 0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3dhg n ALA 79 Cb 0.33 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3dhg n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dhg n LYS 80 N -1.33 -1.21 -0.11 0.00 4.76 -1.24 -4.74 118.16 114.29 3dhg n LYS 80 Ca 0.02 0.58 -0.12 0.00 -2.87 0.00 0.00 58.31 55.92 3dhg n LYS 80 Cb 0.05 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.48 3dhg n LYS 80 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3dhg h ILE 81 N -0.02 1.29 -0.64 -0.18 1.08 -1.90 -1.99 117.51 115.14 3dhg h ILE 81 Ca -0.51 -1.27 0.13 0.00 -0.39 0.00 0.00 64.86 62.82 3dhg h ILE 81 Cb 1.10 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.20 3dhg h ILE 81 CO 0.29 0.42 0.44 0.22 -0.69 0.00 0.00 178.15 178.82 3dhg h TYR 82 N 0.48 0.37 0.05 1.37 3.20 -1.95 -1.28 116.97 119.21 3dhg h TYR 82 Ca 0.08 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.65 3dhg h TYR 82 Cb 0.70 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3dhg h TYR 82 CO 0.06 0.16 -1.70 1.05 -1.64 0.00 0.00 178.16 176.09 3dhg h GLU 83 N 0.33 0.10 0.00 1.82 9.09 -1.89 -3.41 114.58 120.62 3dhg h GLU 83 Ca 0.31 -0.17 0.00 0.00 0.05 0.00 0.00 59.36 59.55 3dhg h GLU 83 Cb 0.75 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 3dhg h GLU 83 CO -0.08 0.79 -1.03 0.09 0.05 0.00 0.00 179.01 178.83 3dhg n ASN 84 N -3.23 0.85 -4.83 3.06 3.02 -0.76 -4.97 115.26 108.40 3dhg n ASN 84 Ca -0.19 -0.83 -0.32 0.00 -0.03 0.00 0.00 54.58 53.21 3dhg n ASN 84 Cb 1.04 1.11 -0.01 0.00 -0.61 0.00 0.00 39.78 41.31 3dhg n ASN 84 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3dhg s SER 85 N -2.99 6.29 0.32 6.41 0.01 -0.52 -5.02 113.70 118.20 3dhg s SER 85 Ca 0.05 1.62 -0.29 0.00 1.31 0.00 0.00 55.95 58.64 3dhg s SER 85 Cb 0.14 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.76 3dhg s SER 85 CO 0.79 -0.82 1.42 -0.62 0.41 0.00 0.00 173.24 174.42 3dhg s ASP 86 N -3.18 6.59 0.40 2.44 -1.08 -1.26 -4.87 116.67 115.71 3dhg s ASP 86 Ca 0.60 2.80 0.19 0.00 -0.52 0.00 0.00 52.55 55.62 3dhg s ASP 86 Cb -0.12 -2.65 1.12 0.00 -1.46 0.00 0.00 42.92 39.81 3dhg s ASP 86 CO 0.37 -0.71 1.77 -0.65 0.52 0.00 0.00 175.17 176.48 3dhg h PRO 87 N 3.89 0.37 -0.58 4.34 0.11 -1.95 0.52 132.00 138.70 3dhg h PRO 87 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3dhg h PRO 87 Cb 1.23 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3dhg h PRO 87 CO 0.70 0.24 0.30 0.78 -0.21 0.00 0.00 178.00 179.81 3dhg h GLY 88 N 0.38 0.86 0.91 -0.55 0.00 -1.90 -1.01 103.07 101.76 3dhg h GLY 88 Ca 0.59 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 3dhg h GLY 88 CO -0.29 0.37 -0.18 -0.25 0.00 0.00 0.00 176.54 176.19 3dhg h TRP 89 N 0.81 0.72 -0.66 5.60 2.91 -1.12 -1.99 115.95 122.21 3dhg h TRP 89 Ca 0.20 -0.19 0.02 0.00 1.13 0.00 0.00 58.89 60.05 3dhg h TRP 89 Cb 0.05 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.50 3dhg h TRP 89 CO 0.01 0.88 0.42 0.82 -1.03 0.00 0.00 178.44 179.53 3dhg h ILE 90 N 0.35 1.12 -0.58 2.65 1.08 -1.08 -0.11 117.51 120.94 3dhg h ILE 90 Ca 0.06 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3dhg h ILE 90 Cb 0.71 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 3dhg h ILE 90 CO 0.05 0.15 0.32 0.28 -0.69 0.00 0.00 178.15 178.26 3dhg h SER 91 N 0.84 0.70 -0.65 1.72 0.02 -1.20 -0.66 113.55 114.32 3dhg h SER 91 Ca 0.26 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3dhg h SER 91 Cb -0.02 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3dhg h SER 91 CO -0.09 0.57 0.25 0.74 -1.14 0.00 0.00 176.83 177.16 3dhg h THR 92 N 0.80 1.24 -0.17 -2.27 2.02 -0.45 -0.18 112.91 113.91 3dhg h THR 92 Ca 0.21 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3dhg h THR 92 Cb 0.01 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3dhg h THR 92 CO -0.03 0.29 0.03 -0.07 0.37 0.00 0.00 175.52 176.11 3dhg h LEU 93 N 0.91 0.26 -0.15 2.58 3.38 -0.67 -0.86 115.31 120.76 3dhg h LEU 93 Ca 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dhg h LEU 93 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dhg h LEU 93 CO -0.02 0.45 0.08 0.11 0.09 0.00 0.00 178.44 179.16 3dhg h LYS 94 N 0.06 0.17 0.06 1.13 1.57 -0.92 -0.16 116.57 118.48 3dhg h LYS 94 Ca 0.05 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3dhg h LYS 94 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3dhg h LYS 94 CO 0.00 0.11 -0.08 1.03 -0.57 0.00 0.00 179.45 179.95 3dhg h SER 95 N 0.18 -0.22 0.00 0.86 0.87 -1.05 -2.29 113.55 111.90 3dhg h SER 95 Ca 0.06 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3dhg h SER 95 Cb -0.01 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 3dhg h SER 95 CO -0.03 -0.13 -0.39 -0.74 -0.53 0.00 0.00 176.83 175.02 3dhg h HIS 96 N -0.17 -1.08 -0.49 2.24 -0.00 -0.86 -0.87 115.15 113.92 3dhg h HIS 96 Ca 0.01 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.34 3dhg h HIS 96 Cb 0.18 0.48 -0.02 0.00 -0.00 0.00 0.00 27.41 28.04 3dhg h HIS 96 CO -0.12 -0.47 -0.01 1.88 -0.00 0.00 0.00 177.93 179.21 3dhg h TYR 97 N -0.54 0.88 -0.41 5.26 0.05 -1.03 -0.53 116.97 120.65 3dhg h TYR 97 Ca 0.05 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 3dhg h TYR 97 Cb 0.62 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 3dhg h TYR 97 CO -0.40 0.82 -0.09 0.78 -1.05 0.00 0.00 178.16 178.23 3dhg h GLY 98 N 0.98 0.86 2.00 3.88 0.00 -1.10 -1.66 103.07 108.03 3dhg h GLY 98 Ca 0.15 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 3dhg h GLY 98 CO 0.02 0.64 -0.27 0.00 0.00 0.00 0.00 176.54 176.93 3dhg h ALA 99 N 0.86 0.86 0.00 3.60 0.00 -0.89 -3.40 119.26 120.29 3dhg h ALA 99 Ca 0.11 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 3dhg h ALA 99 Cb 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3dhg h ALA 99 CO 0.04 0.33 -1.79 -0.89 0.00 0.00 0.00 179.25 176.94 3dhg n ILE 100 N -3.21 0.79 0.20 0.00 2.08 -0.23 -4.56 119.36 114.43 3dhg n ILE 100 Ca 0.02 -0.27 -0.15 0.00 0.56 0.00 0.00 62.75 62.92 3dhg n ILE 100 Cb 0.59 -1.22 -0.07 0.00 -0.75 0.00 0.00 39.64 38.19 3dhg n ILE 100 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dhg h ALA 101 N -0.17 -0.54 0.00 -1.39 0.00 -1.48 0.68 119.26 116.36 3dhg h ALA 101 Ca -0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3dhg h ALA 101 Cb 1.42 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3dhg h ALA 101 CO -0.11 -0.83 -0.20 0.28 0.00 0.00 0.00 179.25 178.40 3dhg h VAL 102 N -0.55 0.41 -0.51 0.00 2.07 -1.80 -2.87 116.25 112.99 3dhg h VAL 102 Ca -0.02 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 3dhg h VAL 102 Cb 0.48 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3dhg h VAL 102 CO -0.01 0.19 -0.13 1.23 0.02 0.00 0.00 177.57 178.87 3dhg h GLY 103 N 2.76 1.08 0.06 2.17 0.00 -1.60 -1.17 103.07 106.36 3dhg h GLY 103 Ca -0.00 -0.89 0.12 0.00 0.00 0.00 0.00 47.33 46.55 3dhg h GLY 103 CO 0.03 0.82 0.06 0.83 0.00 0.00 0.00 176.54 178.27 3dhg h GLU 104 N 0.86 0.17 -0.84 4.80 4.39 -0.68 -0.92 114.58 122.36 3dhg h GLU 104 Ca 0.13 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 3dhg h GLU 104 Cb 0.70 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 3dhg h GLU 104 CO 0.05 0.11 0.48 -0.92 -1.16 0.00 0.00 179.01 177.58 3dhg h TYR 105 N 0.17 1.13 -0.59 4.33 3.20 -1.33 -1.71 116.97 122.17 3dhg h TYR 105 Ca 0.31 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.20 3dhg h TYR 105 Cb 0.49 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3dhg h TYR 105 CO -0.31 0.77 0.39 0.00 -1.64 0.00 0.00 178.16 177.38 3dhg h ALA 106 N 1.26 1.68 0.00 1.82 0.00 -0.59 -1.85 119.26 121.58 3dhg h ALA 106 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dhg h ALA 106 Cb -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dhg h ALA 106 CO -0.05 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.43 3dhg h ALA 107 N 1.65 1.18 -0.97 0.00 0.00 -0.23 -0.72 119.26 120.18 3dhg h ALA 107 Ca 0.24 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3dhg h ALA 107 Cb 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 3dhg h ALA 107 CO -0.06 0.04 0.59 0.28 0.00 0.00 0.00 179.25 180.10 3dhg h VAL 108 N 0.00 0.88 -0.35 0.00 2.07 -1.25 -1.39 116.25 116.20 3dhg h VAL 108 Ca -0.00 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3dhg h VAL 108 Cb 0.15 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3dhg h VAL 108 CO 0.00 0.17 -0.21 0.74 0.02 0.00 0.00 177.57 178.29 3dhg h THR 109 N 0.91 1.29 -0.76 2.57 2.02 -1.27 0.19 112.91 117.86 3dhg h THR 109 Ca 0.49 -1.34 0.07 0.00 0.77 0.00 0.00 66.41 66.39 3dhg h THR 109 Cb 0.53 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 3dhg h THR 109 CO -0.29 0.44 0.44 1.23 0.37 0.00 0.00 175.52 177.72 3dhg h GLY 110 N 0.54 1.13 1.06 2.16 0.00 -1.44 0.20 103.07 106.71 3dhg h GLY 110 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3dhg h GLY 110 CO 0.06 0.19 -0.25 0.83 0.00 0.00 0.00 176.54 177.36 3dhg h GLU 111 N 0.80 0.87 -0.49 4.80 4.39 -1.01 -2.94 114.58 121.00 3dhg h GLU 111 Ca 0.34 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3dhg h GLU 111 Cb 0.21 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3dhg h GLU 111 CO -0.19 1.05 0.08 0.78 -1.16 0.00 0.00 179.01 179.57 3dhg h GLY 112 N 0.69 0.82 0.14 -3.84 0.00 -0.24 0.19 103.07 100.82 3dhg h GLY 112 Ca 0.08 -0.48 0.09 0.00 0.00 0.00 0.00 47.33 47.02 3dhg h GLY 112 CO 0.07 0.45 -0.07 -0.09 0.00 0.00 0.00 176.54 176.91 3dhg h ARG 113 N 0.73 0.04 -0.27 4.80 9.65 -0.49 -1.49 114.38 127.35 3dhg h ARG 113 Ca 0.16 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3dhg h ARG 113 Cb 0.33 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3dhg h ARG 113 CO 0.00 0.03 -0.07 0.52 2.80 0.00 0.00 179.97 183.25 3dhg h MET 114 N 0.04 0.53 -1.01 0.20 2.86 -1.24 0.83 114.93 117.15 3dhg h MET 114 Ca 0.23 -0.20 0.14 0.00 -2.06 0.00 0.00 59.70 57.81 3dhg h MET 114 Cb 0.35 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.88 3dhg h MET 114 CO -0.44 0.74 0.63 0.00 1.06 0.00 0.00 176.91 178.90 3dhg h ALA 115 N 0.77 1.57 0.08 6.32 0.00 -0.68 -0.97 119.26 126.36 3dhg h ALA 115 Ca 0.07 0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 3dhg h ALA 115 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3dhg h ALA 115 CO 0.03 0.14 -1.79 -2.13 0.00 0.00 0.00 179.25 175.50 3dhg n ARG 116 N -4.66 0.70 0.00 0.00 3.00 -0.59 -4.73 116.66 110.38 3dhg n ARG 116 Ca 0.20 0.36 0.11 0.00 -0.00 0.00 0.00 57.85 58.52 3dhg n ARG 116 Cb 0.42 -1.72 -0.12 0.00 0.00 0.00 0.00 32.46 31.05 3dhg n ARG 116 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3dhg n PHE 117 N -3.79 0.08 -2.10 -0.14 3.72 0.28 -4.95 117.46 110.56 3dhg n PHE 117 Ca -0.33 0.02 -0.41 0.00 -0.05 0.00 0.00 57.45 56.69 3dhg n PHE 117 Cb 0.93 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 3dhg n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dhg s SER 118 N -4.06 6.76 0.00 4.37 0.15 -0.38 -4.48 113.70 116.06 3dhg s SER 118 Ca -0.02 2.60 0.28 0.00 0.70 0.00 0.00 55.95 59.51 3dhg s SER 118 Cb 0.14 -2.63 1.41 0.00 -1.71 0.00 0.00 66.02 63.24 3dhg s SER 118 CO 0.88 -0.60 1.96 0.29 1.20 0.00 0.00 173.24 176.97 3dhg n LYS 119 N 1.97 0.39 -3.22 5.44 5.02 -1.26 -4.72 118.16 121.79 3dhg n LYS 119 Ca 0.05 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3dhg n LYS 119 Cb 0.41 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 3dhg n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dhg s ALA 120 N -2.57 3.42 0.26 7.82 0.00 -1.26 -4.66 121.76 124.76 3dhg s ALA 120 Ca 0.26 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3dhg s ALA 120 Cb 0.19 -3.12 0.56 0.00 0.00 0.00 0.00 23.12 20.75 3dhg s ALA 120 CO 0.43 -1.51 1.74 -1.35 0.00 0.00 0.00 175.76 175.07 3dhg h PRO 121 N 8.67 0.51 -0.69 0.00 0.11 -1.84 -0.70 132.00 138.06 3dhg h PRO 121 Ca -0.27 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3dhg h PRO 121 Cb 1.11 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3dhg h PRO 121 CO 0.82 0.34 0.37 0.78 -0.21 0.00 0.00 178.00 180.09 3dhg h GLY 122 N 0.53 1.02 1.02 -0.55 0.00 -1.83 -1.95 103.07 101.31 3dhg h GLY 122 Ca 0.47 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 3dhg h GLY 122 CO -0.41 0.44 -0.18 -0.57 0.00 0.00 0.00 176.54 175.82 3dhg h ASN 123 N 0.96 0.86 -0.53 0.19 -1.24 -1.63 -0.40 115.58 113.79 3dhg h ASN 123 Ca 0.24 -0.40 -0.03 0.00 0.71 0.00 0.00 56.30 56.83 3dhg h ASN 123 Cb 0.04 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 3dhg h ASN 123 CO -0.04 1.07 0.25 0.03 -1.29 0.00 0.00 177.43 177.45 3dhg h ARG 124 N 0.65 0.81 0.20 6.67 3.08 -0.54 -0.26 114.38 124.99 3dhg h ARG 124 Ca 0.09 -0.11 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 3dhg h ARG 124 Cb 0.73 -0.15 0.03 0.00 0.08 0.00 0.00 29.97 30.67 3dhg h ARG 124 CO 0.06 0.65 -1.18 -0.91 -1.07 0.00 0.00 179.97 177.52 3dhg h ASN 125 N 0.81 0.69 -0.12 7.04 2.35 -1.24 -2.81 115.58 122.30 3dhg h ASN 125 Ca 0.20 -0.93 -0.04 0.00 -0.55 0.00 0.00 56.30 54.98 3dhg h ASN 125 Cb 0.12 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3dhg h ASN 125 CO -0.02 1.57 -0.02 0.24 -1.65 0.00 0.00 177.43 177.55 3dhg h MET 126 N -0.07 0.34 0.00 0.81 2.86 -0.91 -1.44 114.93 116.52 3dhg h MET 126 Ca -0.20 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.29 3dhg h MET 126 Cb 1.93 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.52 3dhg h MET 126 CO 0.22 0.39 -0.41 0.00 1.06 0.00 0.00 176.91 178.16 3dhg h ALA 127 N 1.66 1.25 -0.15 6.32 0.00 -1.07 0.31 119.26 127.58 3dhg h ALA 127 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3dhg h ALA 127 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dhg h ALA 127 CO 0.01 0.52 0.07 1.15 0.00 0.00 0.00 179.25 181.00 3dhg h THR 128 N 0.00 1.12 -0.46 0.00 2.02 -0.99 0.28 112.91 114.88 3dhg h THR 128 Ca -0.00 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 3dhg h THR 128 Cb 0.76 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3dhg h THR 128 CO 0.05 0.11 0.18 -0.26 0.37 0.00 0.00 175.52 175.97 3dhg h PHE 129 N 0.12 0.65 -0.46 3.16 0.04 -1.03 -2.51 116.94 116.91 3dhg h PHE 129 Ca 0.05 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.83 3dhg h PHE 129 Cb 0.11 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 3dhg h PHE 129 CO -0.03 0.51 0.24 0.78 -0.60 0.00 0.00 178.31 179.22 3dhg h GLY 130 N 0.80 0.64 0.38 -1.45 0.00 -0.01 0.15 103.07 103.59 3dhg h GLY 130 Ca 0.16 -0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.42 3dhg h GLY 130 CO -0.01 0.12 0.31 -0.33 0.00 0.00 0.00 176.54 176.62 3dhg h MET 131 N 0.48 0.50 -0.21 4.80 2.86 -0.03 -1.23 114.93 122.09 3dhg h MET 131 Ca 0.20 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.64 3dhg h MET 131 Cb 0.09 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3dhg h MET 131 CO -0.13 0.33 -0.54 0.52 1.06 0.00 0.00 176.91 178.15 3dhg h MET 132 N 0.51 0.74 -0.62 1.72 2.07 -1.16 -1.48 114.93 116.71 3dhg h MET 132 Ca 0.35 -0.51 -0.01 0.00 -2.07 0.00 0.00 59.70 57.46 3dhg h MET 132 Cb 0.42 0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 3dhg h MET 132 CO -0.31 1.13 0.35 -0.44 1.07 0.00 0.00 176.91 178.71 3dhg h ASP 133 N 0.47 0.76 0.81 1.22 3.32 -0.47 -1.00 116.42 121.52 3dhg h ASP 133 Ca -0.01 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 3dhg h ASP 133 Cb 1.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3dhg h ASP 133 CO 0.12 0.63 -0.82 -0.33 -1.72 0.00 0.00 179.24 177.11 3dhg h GLU 134 N 0.83 0.00 -0.41 3.56 4.39 -1.18 -1.83 114.58 119.95 3dhg h GLU 134 Ca 0.22 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.96 3dhg h GLU 134 Cb 0.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3dhg h GLU 134 CO -0.04 0.82 0.15 1.25 -1.16 0.00 0.00 179.01 180.03 3dhg h LEU 135 N 0.00 0.16 -0.24 1.33 5.85 -1.08 -0.98 115.31 120.35 3dhg h LEU 135 Ca -0.01 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3dhg h LEU 135 Cb 1.45 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 3dhg h LEU 135 CO 0.11 0.13 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.10 3dhg h ARG 136 N 0.31 -0.12 -0.42 1.25 2.43 -0.82 -1.42 114.38 115.60 3dhg h ARG 136 Ca 0.19 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3dhg h ARG 136 Cb 0.17 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3dhg h ARG 136 CO -0.19 -0.08 0.11 0.45 -1.51 0.00 0.00 179.97 178.75 3dhg h HIS 137 N -0.12 0.70 -0.17 2.20 3.86 -1.11 0.16 115.15 120.68 3dhg h HIS 137 Ca 0.13 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3dhg h HIS 137 Cb 0.32 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3dhg h HIS 137 CO -0.31 0.66 0.03 0.78 0.86 0.00 0.00 177.93 179.94 3dhg h GLY 138 N 0.55 0.18 0.83 2.45 0.00 -1.12 -1.55 103.07 104.40 3dhg h GLY 138 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3dhg h GLY 138 CO -0.00 -0.01 0.01 1.46 0.00 0.00 0.00 176.54 178.00 3dhg h GLN 139 N 0.09 0.36 -0.55 4.80 4.20 -0.87 -1.82 115.11 121.32 3dhg h GLN 139 Ca 0.07 -0.11 0.08 0.00 0.06 0.00 0.00 58.65 58.75 3dhg h GLN 139 Cb 0.07 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 3dhg h GLN 139 CO -0.11 0.55 0.20 -0.07 -0.67 0.00 0.00 178.83 178.74 3dhg h LEU 140 N 0.13 0.21 -0.43 1.46 3.38 -0.65 0.61 115.31 120.02 3dhg h LEU 140 Ca 0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dhg h LEU 140 Cb 0.38 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dhg h LEU 140 CO 0.01 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3dhg n GLN 141 N -4.99 1.28 -0.12 1.13 6.02 -0.59 -1.49 117.38 118.62 3dhg n GLN 141 Ca 0.07 -0.43 -0.26 0.00 -0.01 0.00 0.00 57.00 56.37 3dhg n GLN 141 Cb 0.23 -1.35 -0.11 0.00 1.02 0.00 0.00 30.24 30.03 3dhg n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3dhg n LEU 142 N -0.37 2.08 -0.30 1.08 4.77 -0.70 -4.44 117.00 119.11 3dhg n LEU 142 Ca 0.16 0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 56.42 3dhg n LEU 142 Cb 0.17 -0.88 0.10 0.00 -2.33 0.00 0.00 43.42 40.49 3dhg n LEU 142 CO 0.12 0.56 1.20 0.15 -1.33 0.00 0.00 177.39 178.09 3dhg h PHE 143 N -0.85 0.99 0.01 -1.77 3.57 -0.69 -1.92 116.94 116.29 3dhg h PHE 143 Ca -0.60 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 60.93 3dhg h PHE 143 Cb 1.59 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3dhg h PHE 143 CO -0.03 0.58 -0.00 0.74 -2.23 0.00 0.00 178.31 177.37 3dhg h PHE 144 N 1.03 -0.01 0.00 0.41 -1.00 -1.50 -3.17 116.94 112.70 3dhg h PHE 144 Ca 0.33 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 3dhg h PHE 144 Cb -0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3dhg h PHE 144 CO -0.02 0.47 0.00 -1.00 -1.61 0.00 0.00 178.31 176.15 3dhg h PRO 145 N -0.50 0.00 -1.00 1.51 0.13 -1.77 -2.95 132.00 127.43 3dhg h PRO 145 Ca -0.00 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.34 3dhg h PRO 145 Cb 0.49 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.51 3dhg h PRO 145 CO 0.00 0.00 0.62 1.25 -0.23 0.00 0.00 178.00 179.64 3dhg h HIS 146 N 0.00 0.93 -1.07 1.56 2.76 -1.31 0.10 115.15 118.11 3dhg h HIS 146 Ca 0.00 0.03 0.29 0.00 -2.20 0.00 0.00 60.37 58.49 3dhg h HIS 146 Cb 0.58 -0.28 -0.08 0.00 1.55 0.00 0.00 27.41 29.18 3dhg h HIS 146 CO 0.00 0.16 0.72 1.49 -1.30 0.00 0.00 177.93 179.00 3dhg h GLU 147 N 0.62 0.26 -0.01 5.26 4.57 -1.61 -2.47 114.58 121.20 3dhg h GLU 147 Ca 0.58 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 3dhg h GLU 147 Cb 1.10 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3dhg h GLU 147 CO -0.36 0.17 -0.41 0.66 -1.18 0.00 0.00 179.01 177.89 3dhg n TYR 148 N -4.50 0.00 -0.26 0.92 4.01 0.34 -4.23 117.16 113.44 3dhg n TYR 148 Ca 0.25 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.05 3dhg n TYR 148 Cb 0.98 -0.07 0.19 0.00 -0.31 0.00 0.00 39.34 40.14 3dhg n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dhg n LYS 150 N -5.04 0.15 -0.06 0.00 2.85 -1.26 -2.72 118.16 112.09 3dhg n LYS 150 Ca 0.15 0.54 -0.16 0.00 -1.05 0.00 0.00 58.31 57.79 3dhg n LYS 150 Cb 0.44 -1.89 -0.14 0.00 -0.65 0.00 0.00 35.03 32.79 3dhg n LYS 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dhg n LYS 151 N -2.19 0.69 -3.64 -1.58 5.02 0.21 -5.01 118.16 111.66 3dhg n LYS 151 Ca 0.00 0.19 -0.04 0.00 -2.02 0.00 0.00 58.31 56.44 3dhg n LYS 151 Cb 0.11 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 3dhg n LYS 151 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dhg s ASP 152 N -6.44 -1.02 0.60 4.39 -1.08 -0.95 -5.04 116.67 107.14 3dhg s ASP 152 Ca -0.20 1.52 0.35 0.00 -0.52 0.00 0.00 52.55 53.69 3dhg s ASP 152 Cb 0.07 1.82 1.96 0.00 -1.46 0.00 0.00 42.92 45.31 3dhg s ASP 152 CO 0.74 -0.23 2.26 0.03 0.52 0.00 0.00 175.17 178.49 3dhg h ARG 153 N 7.45 0.00 0.00 4.34 3.08 -1.87 -1.95 114.38 125.43 3dhg h ARG 153 Ca -0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 3dhg h ARG 153 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3dhg h ARG 153 CO 0.13 0.02 -0.18 1.96 -1.07 0.00 0.00 179.97 180.83 3dhg h GLN 154 N 0.00 0.00 0.00 0.04 4.20 -1.86 -0.79 115.11 116.70 3dhg h GLN 154 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dhg h GLN 154 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3dhg h GLN 154 CO 0.00 0.18 0.00 1.19 -0.67 0.00 0.00 178.83 179.53 3dhg n PHE 155 N -4.16 0.75 0.27 2.96 3.72 -0.73 -1.64 117.46 118.64 3dhg n PHE 155 Ca -0.02 0.34 0.13 0.00 -0.05 0.00 0.00 57.45 57.85 3dhg n PHE 155 Cb 0.25 -1.05 0.76 0.00 -0.94 0.00 0.00 39.48 38.50 3dhg n PHE 155 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3dhg h ASP 156 N 0.00 0.00 0.66 4.37 3.58 -1.29 -2.64 116.42 121.10 3dhg h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dhg h ASP 156 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3dhg h ASP 156 CO 0.00 0.10 0.00 -0.50 -2.88 0.00 0.00 179.24 175.96 3dhg h TRP 157 N 0.00 0.00 -0.97 0.28 4.06 -1.46 -1.25 115.95 116.60 3dhg h TRP 157 Ca -0.00 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.14 3dhg h TRP 157 Cb 0.26 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.33 3dhg h TRP 157 CO 0.00 0.00 0.61 0.00 -3.56 0.00 0.00 178.44 175.49 3dhg h ALA 158 N 2.04 1.85 0.04 1.49 0.00 -1.66 -1.10 119.26 121.92 3dhg h ALA 158 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 3dhg h ALA 158 Cb 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3dhg h ALA 158 CO 0.00 -0.19 -1.71 1.87 0.00 0.00 0.00 179.25 179.22 3dhg n TRP 159 N -4.66 0.89 0.14 0.00 -0.00 -0.70 -4.31 117.44 108.81 3dhg n TRP 159 Ca 0.22 0.31 0.02 0.00 -0.00 0.00 0.00 57.50 58.04 3dhg n TRP 159 Cb 0.61 -1.10 0.14 0.00 -0.00 0.00 0.00 31.31 30.96 3dhg n TRP 159 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 3dhg h ARG 160 N -0.64 0.00 -0.35 5.87 2.43 -1.04 -3.38 114.38 117.26 3dhg h ARG 160 Ca -0.43 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.81 3dhg h ARG 160 Cb 1.59 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.05 3dhg h ARG 160 CO -0.15 0.56 -0.26 0.00 -1.51 0.00 0.00 179.97 178.61 3dhg h ALA 161 N 1.44 -0.07 0.00 2.80 0.00 -1.47 0.29 119.26 122.26 3dhg h ALA 161 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dhg h ALA 161 Cb 1.22 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3dhg h ALA 161 CO 0.07 -0.65 0.00 1.88 0.00 0.00 0.00 179.25 180.55 3dhg h TYR 162 N -0.21 0.00 -0.03 0.00 -1.99 -1.82 -1.01 116.97 111.91 3dhg h TYR 162 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 3dhg h TYR 162 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3dhg h TYR 162 CO -0.46 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 178.42 3dhg n HIS 163 N -2.45 0.02 -3.71 4.88 8.25 0.06 -4.94 115.22 117.33 3dhg n HIS 163 Ca 0.02 -0.01 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 3dhg n HIS 163 Cb 0.24 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 3dhg n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3dhg s SER 164 N -1.95 4.90 -0.35 0.41 1.04 -0.39 -5.03 113.70 112.34 3dhg s SER 164 Ca 0.39 -0.82 0.08 0.00 0.48 0.00 0.00 55.95 56.08 3dhg s SER 164 Cb 0.21 -0.56 0.65 0.00 0.10 0.00 0.00 66.02 66.42 3dhg s SER 164 CO 0.33 -0.62 1.73 0.59 0.98 0.00 0.00 173.24 176.26 3dhg n ASN 165 N -1.47 3.82 -4.77 7.02 3.02 -1.25 -4.68 115.26 116.96 3dhg n ASN 165 Ca 0.02 -3.47 -0.38 0.00 -0.03 0.00 0.00 54.58 50.72 3dhg n ASN 165 Cb 0.62 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 3dhg n ASN 165 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dhg s GLU 166 N -3.15 3.90 0.31 3.52 -6.30 -1.15 -4.54 118.70 111.29 3dhg s GLU 166 Ca 0.52 1.93 0.00 0.00 -2.50 0.00 0.00 54.97 54.93 3dhg s GLU 166 Cb 0.44 -2.61 0.50 0.00 0.00 0.00 0.00 34.13 32.46 3dhg s GLU 166 CO 0.09 -0.48 1.90 0.11 0.02 0.00 0.00 175.26 176.90 3dhg h TRP 167 N 2.43 0.81 -0.07 5.30 5.08 -1.91 -0.85 115.95 126.74 3dhg h TRP 167 Ca -0.49 -0.04 -0.13 0.00 1.08 0.00 0.00 58.89 59.31 3dhg h TRP 167 Cb 1.24 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 27.14 3dhg h TRP 167 CO 0.53 0.63 -0.53 0.00 -1.28 0.00 0.00 178.44 177.79 3dhg h ALA 168 N 1.45 0.97 -0.26 0.11 0.00 -1.88 -2.20 119.26 117.44 3dhg h ALA 168 Ca 0.19 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3dhg h ALA 168 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dhg h ALA 168 CO -0.02 0.68 -0.48 0.00 0.00 0.00 0.00 179.25 179.43 3dhg h ALA 169 N 1.29 0.67 -0.24 0.00 0.00 -1.52 -0.52 119.26 118.95 3dhg h ALA 169 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3dhg h ALA 169 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3dhg h ALA 169 CO 0.08 0.68 0.14 0.82 0.00 0.00 0.00 179.25 180.96 3dhg h ILE 170 N 0.55 1.03 -0.02 0.00 2.04 -1.16 0.57 117.51 120.52 3dhg h ILE 170 Ca 0.03 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3dhg h ILE 170 Cb 1.04 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3dhg h ILE 170 CO 0.10 0.05 -0.25 0.00 0.00 0.00 0.00 178.15 178.05 3dhg h ALA 171 N 1.10 -0.32 -0.43 1.87 0.00 -1.20 0.26 119.26 120.54 3dhg h ALA 171 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3dhg h ALA 171 Cb -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3dhg h ALA 171 CO -0.04 -0.74 0.20 0.00 0.00 0.00 0.00 179.25 178.67 3dhg h ALA 172 N 0.47 0.54 -0.39 0.00 0.00 -1.06 -1.62 119.26 117.20 3dhg h ALA 172 Ca 0.07 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3dhg h ALA 172 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3dhg h ALA 172 CO -0.24 -0.16 -0.27 0.87 0.00 0.00 0.00 179.25 179.45 3dhg h LYS 173 N 0.41 0.82 -0.41 0.00 1.57 -0.44 -0.50 116.57 118.02 3dhg h LYS 173 Ca 0.19 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3dhg h LYS 173 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3dhg h LYS 173 CO -0.15 0.99 0.10 1.25 -0.57 0.00 0.00 179.45 181.07 3dhg h HIS 174 N 0.70 0.69 0.73 -1.35 2.76 -0.41 0.32 115.15 118.60 3dhg h HIS 174 Ca 0.09 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3dhg h HIS 174 Cb 0.81 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 3dhg h HIS 174 CO 0.04 0.66 -0.46 0.35 -1.30 0.00 0.00 177.93 177.22 3dhg h PHE 175 N 0.52 -1.23 -0.27 5.26 3.57 -1.17 -2.55 116.94 121.08 3dhg h PHE 175 Ca 0.13 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3dhg h PHE 175 Cb 0.32 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3dhg h PHE 175 CO 0.02 -0.69 -0.24 0.74 -2.23 0.00 0.00 178.31 175.91 3dhg h PHE 176 N -1.12 0.57 0.00 0.41 0.04 -1.01 -0.81 116.94 115.01 3dhg h PHE 176 Ca -0.10 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 3dhg h PHE 176 Cb 0.91 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 3dhg h PHE 176 CO -0.11 0.71 -0.36 -0.44 -0.60 0.00 0.00 178.31 177.51 3dhg h ASP 177 N 0.45 0.00 -0.06 2.17 3.32 -0.46 0.24 116.42 122.07 3dhg h ASP 177 Ca 0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3dhg h ASP 177 Cb 0.67 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.22 3dhg h ASP 177 CO 0.05 0.36 -0.42 -0.78 -1.72 0.00 0.00 179.24 176.73 3dhg h ASP 178 N 0.00 0.48 0.51 6.45 3.58 -0.87 0.34 116.42 126.91 3dhg h ASP 178 Ca -0.00 -0.67 -0.07 0.00 0.42 0.00 0.00 57.03 56.70 3dhg h ASP 178 Cb 0.85 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 3dhg h ASP 178 CO 0.05 1.08 -1.55 2.30 -2.88 0.00 0.00 179.24 178.24 3dhg n ILE 179 N -4.34 0.61 -0.05 2.25 -5.35 -0.40 -4.35 119.36 107.73 3dhg n ILE 179 Ca -0.09 -0.59 -0.09 0.00 -0.27 0.00 0.00 62.75 61.71 3dhg n ILE 179 Cb 0.56 -0.33 -0.03 0.00 -1.74 0.00 0.00 39.64 38.10 3dhg n ILE 179 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3dhg n ILE 180 N -2.59 1.29 0.64 7.28 5.41 0.82 -4.04 119.36 128.16 3dhg n ILE 180 Ca -0.06 0.12 0.11 0.00 1.00 0.00 0.00 62.75 63.91 3dhg n ILE 180 Cb 0.68 -1.99 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 3dhg n ILE 180 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3dhg n THR 181 N -4.02 0.03 -0.38 1.39 -2.24 -1.09 -3.83 114.28 104.13 3dhg n THR 181 Ca -0.15 -0.19 0.07 0.00 -2.27 0.00 0.00 64.05 61.52 3dhg n THR 181 Cb 0.43 0.56 0.22 0.00 -2.10 0.00 0.00 70.33 69.44 3dhg n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhg n GLY 182 N 1.41 2.93 3.21 3.38 0.00 0.12 -4.99 105.19 111.25 3dhg n GLY 182 Ca 0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 3dhg n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhg s ARG 183 N -1.38 1.17 0.99 1.61 0.52 -1.26 -4.97 118.95 115.63 3dhg s ARG 183 Ca 0.33 -1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 53.82 3dhg s ARG 183 Cb 0.20 0.14 0.19 0.00 0.52 0.00 0.00 34.95 35.99 3dhg s ARG 183 CO 0.18 -0.33 1.10 0.16 0.02 0.00 0.00 175.30 176.43 3dhg s ASP 184 N -3.16 2.35 0.19 0.23 1.47 -1.25 -4.68 116.67 111.82 3dhg s ASP 184 Ca 0.35 1.87 -0.11 0.00 1.18 0.00 0.00 52.55 55.83 3dhg s ASP 184 Cb 0.07 -2.44 0.19 0.00 -0.34 0.00 0.00 42.92 40.40 3dhg s ASP 184 CO 0.09 -3.40 1.78 0.00 0.68 0.00 0.00 175.17 174.33 3dhg h ALA 185 N -2.07 0.74 -0.55 2.11 0.00 -0.80 -0.98 119.26 117.70 3dhg h ALA 185 Ca -0.50 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3dhg h ALA 185 Cb 1.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3dhg h ALA 185 CO 0.46 -0.07 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 3dhg h ILE 186 N 0.54 1.26 -0.60 0.00 5.03 -1.70 -0.74 117.51 121.29 3dhg h ILE 186 Ca 0.26 -1.13 0.02 0.00 -0.12 0.00 0.00 64.86 63.89 3dhg h ILE 186 Cb 0.19 0.85 -0.04 0.00 -3.03 0.00 0.00 36.82 34.79 3dhg h ILE 186 CO -0.19 0.40 0.37 0.28 -0.68 0.00 0.00 178.15 178.34 3dhg h SER 187 N 0.89 0.62 0.12 1.72 0.02 -1.67 -0.82 113.55 114.43 3dhg h SER 187 Ca 0.16 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3dhg h SER 187 Cb 0.54 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3dhg h SER 187 CO 0.03 0.44 -0.26 0.58 -1.14 0.00 0.00 176.83 176.48 3dhg h VAL 188 N 0.75 0.43 -0.56 2.27 2.07 -0.96 0.60 116.25 120.85 3dhg h VAL 188 Ca 0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.87 3dhg h VAL 188 Cb -0.01 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 3dhg h VAL 188 CO -0.09 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.45 3dhg h ALA 189 N 0.27 0.48 -0.05 1.67 0.00 -0.83 0.12 119.26 120.92 3dhg h ALA 189 Ca 0.03 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dhg h ALA 189 Cb 0.49 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dhg h ALA 189 CO -0.15 -0.41 -0.29 0.82 0.00 0.00 0.00 179.25 179.23 3dhg h ILE 190 N 0.07 1.45 0.16 0.00 2.04 -0.82 -2.48 117.51 117.93 3dhg h ILE 190 Ca 0.28 -1.74 -0.26 0.00 1.00 0.00 0.00 64.86 64.14 3dhg h ILE 190 Cb 0.44 2.42 0.02 0.00 -0.74 0.00 0.00 36.82 38.96 3dhg h ILE 190 CO -0.51 0.49 -1.21 0.24 0.00 0.00 0.00 178.15 177.16 3dhg h MET 191 N -0.25 0.34 0.00 2.37 2.86 0.42 -0.81 114.93 119.86 3dhg h MET 191 Ca -0.02 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3dhg h MET 191 Cb 0.95 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3dhg h MET 191 CO 0.06 1.28 -0.07 1.25 1.06 0.00 0.00 176.91 180.49 3dhg h LEU 192 N -0.21 0.00 -0.08 1.22 5.85 -0.88 -2.58 115.31 118.62 3dhg h LEU 192 Ca -0.23 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.29 3dhg h LEU 192 Cb 1.82 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.86 3dhg h LEU 192 CO 0.15 0.36 -0.71 0.71 -0.34 0.00 0.00 178.44 178.61 3dhg h THR 193 N -0.65 1.33 0.00 1.05 1.35 -1.26 0.80 112.91 115.53 3dhg h THR 193 Ca 0.00 -2.00 -0.01 0.00 -0.55 0.00 0.00 66.41 63.84 3dhg h THR 193 Cb 0.07 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3dhg h THR 193 CO 0.00 0.61 -0.11 0.15 -0.25 0.00 0.00 175.52 175.93 3dhg h PHE 194 N 0.25 0.00 -0.07 4.73 3.57 -1.44 0.02 116.94 124.00 3dhg h PHE 194 Ca -0.07 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 3dhg h PHE 194 Cb 1.37 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.12 3dhg h PHE 194 CO 0.11 0.49 -0.43 0.77 -2.23 0.00 0.00 178.31 177.02 3dhg h SER 195 N -1.00 0.50 0.00 0.41 0.02 -1.22 -2.24 113.55 110.02 3dhg h SER 195 Ca -0.02 -0.66 -0.26 0.00 -0.84 0.00 0.00 61.79 60.01 3dhg h SER 195 Cb 0.51 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3dhg h SER 195 CO -0.01 1.09 -1.50 0.33 -1.14 0.00 0.00 176.83 175.60 3dhg n PHE 196 N -4.32 0.74 0.10 3.45 7.35 -0.90 -3.25 117.46 120.63 3dhg n PHE 196 Ca -0.08 0.32 -0.07 0.00 -0.76 0.00 0.00 57.45 56.85 3dhg n PHE 196 Cb 0.56 -1.03 -0.04 0.00 0.35 0.00 0.00 39.48 39.32 3dhg n PHE 196 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3dhg h GLU 197 N -1.00 -0.34 -0.70 -4.13 5.08 -0.93 -0.70 114.58 111.86 3dhg h GLU 197 Ca -0.39 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3dhg h GLU 197 Cb 1.30 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 3dhg h GLU 197 CO -0.24 -0.12 0.32 1.15 -1.00 0.00 0.00 179.01 179.12 3dhg h THR 198 N -1.05 1.23 0.00 1.13 2.02 -0.98 -1.79 112.91 113.47 3dhg h THR 198 Ca -0.04 -0.65 -0.20 0.00 0.77 0.00 0.00 66.41 66.29 3dhg h THR 198 Cb 0.37 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3dhg h THR 198 CO 0.06 0.27 -0.97 1.23 0.37 0.00 0.00 175.52 176.48 3dhg h GLY 199 N 1.06 0.00 0.00 2.16 0.00 -1.38 -3.43 103.07 101.48 3dhg h GLY 199 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3dhg h GLY 199 CO -0.03 0.00 -0.41 0.69 0.00 0.00 0.00 176.54 176.79 3dhg n PHE 200 N -3.30 -0.32 0.06 5.60 3.72 -0.37 -4.84 117.46 118.01 3dhg n PHE 200 Ca -0.01 0.06 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 3dhg n PHE 200 Cb 0.91 0.23 -0.11 0.00 -0.94 0.00 0.00 39.48 39.58 3dhg n PHE 200 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dhg h THR 201 N 0.00 1.29 -0.45 4.37 1.35 -1.07 -1.00 112.91 117.39 3dhg h THR 201 Ca 0.00 -2.32 0.09 0.00 -0.55 0.00 0.00 66.41 63.63 3dhg h THR 201 Cb 0.41 2.47 -0.10 0.00 -1.73 0.00 0.00 68.15 69.20 3dhg h THR 201 CO 0.00 0.71 -0.25 -1.13 -0.25 0.00 0.00 175.52 174.61 3dhg h ASN 202 N 0.36 -0.84 1.07 5.36 -1.24 -1.58 0.66 115.58 119.35 3dhg h ASN 202 Ca -0.14 0.18 -0.13 0.00 0.71 0.00 0.00 56.30 56.92 3dhg h ASN 202 Cb 1.75 0.44 -0.02 0.00 0.73 0.00 0.00 38.32 41.22 3dhg h ASN 202 CO 0.21 -0.27 -0.62 0.24 -1.29 0.00 0.00 177.43 175.71 3dhg h MET 203 N -0.15 0.00 -0.31 6.67 2.86 -1.81 -2.63 114.93 119.56 3dhg h MET 203 Ca 0.21 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3dhg h MET 203 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3dhg h MET 203 CO -0.55 0.62 0.04 0.37 1.06 0.00 0.00 176.91 178.45 3dhg h GLN 204 N 0.00 0.51 -0.61 1.72 4.15 -0.67 -0.33 115.11 119.89 3dhg h GLN 204 Ca -0.01 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 3dhg h GLN 204 Cb 1.32 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3dhg h GLN 204 CO 0.08 0.62 -0.01 0.74 -1.93 0.00 0.00 178.83 178.34 3dhg h PHE 205 N 0.33 1.17 -0.19 3.99 -1.00 -0.89 0.17 116.94 120.53 3dhg h PHE 205 Ca 0.09 -0.20 0.04 0.00 2.81 0.00 0.00 57.97 60.71 3dhg h PHE 205 Cb 0.37 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 3dhg h PHE 205 CO 0.03 1.03 -0.08 -0.07 -1.61 0.00 0.00 178.31 177.61 3dhg h LEU 206 N 0.98 -0.27 -0.61 1.54 3.38 -1.34 -1.77 115.31 117.22 3dhg h LEU 206 Ca 0.17 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3dhg h LEU 206 Cb 0.57 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3dhg h LEU 206 CO 0.03 -0.11 0.36 1.23 0.09 0.00 0.00 178.44 180.05 3dhg h GLY 207 N -0.05 0.88 0.97 0.83 0.00 -0.79 -2.86 103.07 102.05 3dhg h GLY 207 Ca 0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3dhg h GLY 207 CO -0.22 0.36 0.14 -2.00 0.00 0.00 0.00 176.54 174.81 3dhg h LEU 208 N 0.82 0.74 -0.61 3.11 5.85 -0.33 -0.84 115.31 124.05 3dhg h LEU 208 Ca 0.22 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3dhg h LEU 208 Cb -0.02 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3dhg h LEU 208 CO -0.04 0.77 0.30 0.00 -0.34 0.00 0.00 178.44 179.13 3dhg h ALA 209 N 1.00 0.80 -0.64 1.25 0.00 -1.32 0.31 119.26 120.67 3dhg h ALA 209 Ca 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3dhg h ALA 209 Cb 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dhg h ALA 209 CO -0.00 -0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.39 3dhg h ALA 210 N 1.35 0.83 -0.79 0.00 0.00 -1.24 -2.23 119.26 117.18 3dhg h ALA 210 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dhg h ALA 210 Cb 0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dhg h ALA 210 CO -0.22 0.50 0.34 -0.44 0.00 0.00 0.00 179.25 179.43 3dhg h ASP 211 N 0.91 1.06 -0.83 0.00 3.32 -0.51 -2.70 116.42 117.68 3dhg h ASP 211 Ca 0.21 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3dhg h ASP 211 Cb 0.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3dhg h ASP 211 CO -0.01 0.92 0.53 0.00 -1.72 0.00 0.00 179.24 178.96 3dhg h ALA 212 N 1.23 1.06 -0.39 3.45 0.00 -0.04 -0.61 119.26 123.96 3dhg h ALA 212 Ca 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3dhg h ALA 212 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dhg h ALA 212 CO -0.03 0.50 0.14 0.00 0.00 0.00 0.00 179.25 179.86 3dhg h ALA 213 N 1.29 0.51 -0.69 0.00 0.00 -1.23 0.88 119.26 120.02 3dhg h ALA 213 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dhg h ALA 213 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3dhg h ALA 213 CO -0.06 0.13 0.33 1.49 0.00 0.00 0.00 179.25 181.14 3dhg h GLU 214 N 0.48 0.98 0.00 0.00 4.57 -1.17 0.87 114.58 120.31 3dhg h GLU 214 Ca 0.13 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dhg h GLU 214 Cb 0.22 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3dhg h GLU 214 CO -0.01 0.76 0.00 0.00 -1.18 0.00 0.00 179.01 178.58 3dhg n ALA 215 N -2.44 1.94 -0.45 2.92 0.00 -0.26 -4.89 120.51 117.34 3dhg n ALA 215 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3dhg n ALA 215 Cb 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3dhg n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhg n GLY 216 N 0.34 0.77 3.16 0.00 0.00 0.30 -4.83 105.19 104.94 3dhg n GLY 216 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3dhg n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dhg s ASP 217 N -2.10 5.98 0.27 1.61 -1.08 0.26 -4.89 116.67 116.72 3dhg s ASP 217 Ca 0.00 -3.23 0.13 0.00 -0.52 0.00 0.00 52.55 48.94 3dhg s ASP 217 Cb 0.00 -1.97 0.28 0.00 -1.46 0.00 0.00 42.92 39.77 3dhg s ASP 217 CO 0.00 -0.33 1.55 1.88 0.52 0.00 0.00 175.17 178.79 3dhg h TYR 218 N 6.74 0.00 0.07 -5.34 0.05 -1.89 -1.39 116.97 115.21 3dhg h TYR 218 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3dhg h TYR 218 Cb 0.91 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.64 3dhg h TYR 218 CO 0.78 0.60 -0.06 1.15 -1.05 0.00 0.00 178.16 179.58 3dhg h THR 219 N 0.00 0.87 -0.39 -2.88 2.02 -1.90 0.46 112.91 111.09 3dhg h THR 219 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3dhg h THR 219 Cb 1.23 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3dhg h THR 219 CO 0.08 0.00 -0.13 0.15 0.37 0.00 0.00 175.52 175.99 3dhg h PHE 220 N -0.14 0.88 -0.32 3.16 3.57 -1.93 -0.89 116.94 121.27 3dhg h PHE 220 Ca -0.00 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.35 3dhg h PHE 220 Cb 0.12 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3dhg h PHE 220 CO -0.09 0.93 0.05 0.00 -2.23 0.00 0.00 178.31 176.96 3dhg h ALA 221 N 0.83 0.33 -0.71 2.41 0.00 -1.11 0.79 119.26 121.80 3dhg h ALA 221 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dhg h ALA 221 Cb 0.66 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3dhg h ALA 221 CO 0.04 -0.36 0.39 -0.97 0.00 0.00 0.00 179.25 178.35 3dhg h ASN 222 N 0.15 0.90 0.02 0.00 -0.73 -0.75 -1.35 115.58 113.82 3dhg h ASN 222 Ca 0.15 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.22 3dhg h ASN 222 Cb 0.18 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.54 3dhg h ASN 222 CO -0.22 0.74 -0.01 0.25 -0.37 0.00 0.00 177.43 177.82 3dhg h LEU 223 N 0.98 -0.02 -0.51 0.34 5.85 -0.64 -0.39 115.31 120.93 3dhg h LEU 223 Ca 0.25 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3dhg h LEU 223 Cb 0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3dhg h LEU 223 CO -0.04 0.25 0.12 0.40 -0.34 0.00 0.00 178.44 178.83 3dhg h ILE 224 N -0.29 1.24 -0.43 4.05 1.08 -0.79 -0.66 117.51 121.71 3dhg h ILE 224 Ca -0.00 -0.86 0.08 0.00 -0.39 0.00 0.00 64.86 63.69 3dhg h ILE 224 Cb 0.28 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 3dhg h ILE 224 CO 0.00 0.31 -0.02 0.28 -0.69 0.00 0.00 178.15 178.04 3dhg h SER 225 N 0.72 -0.21 -0.63 1.72 0.02 -1.22 0.17 113.55 114.12 3dhg h SER 225 Ca 0.16 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3dhg h SER 225 Cb 0.34 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3dhg h SER 225 CO 0.00 -0.07 0.31 -1.28 -1.14 0.00 0.00 176.83 174.65 3dhg h SER 226 N 0.09 0.82 -0.46 3.07 0.87 -0.45 -1.83 113.55 115.67 3dhg h SER 226 Ca 0.21 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3dhg h SER 226 Cb 0.31 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3dhg h SER 226 CO -0.37 0.71 0.13 0.40 -0.53 0.00 0.00 176.83 177.18 3dhg h ILE 227 N 0.86 1.23 -0.67 2.23 2.04 -0.84 -2.94 117.51 119.42 3dhg h ILE 227 Ca 0.22 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.34 3dhg h ILE 227 Cb 0.11 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3dhg h ILE 227 CO -0.03 0.27 0.44 -0.61 0.00 0.00 0.00 178.15 178.23 3dhg h GLN 228 N 0.61 0.77 0.00 2.37 -0.00 -0.09 -0.95 115.11 117.81 3dhg h GLN 228 Ca 0.15 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3dhg h GLN 228 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 27.48 27.59 3dhg h GLN 228 CO -0.00 0.51 -0.00 1.79 0.00 0.00 0.00 178.83 181.13 3dhg h THR 229 N 0.80 0.33 0.00 2.39 1.35 -1.16 -1.17 112.91 115.44 3dhg h THR 229 Ca 0.27 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 66.11 3dhg h THR 229 Cb 0.07 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3dhg h THR 229 CO -0.07 0.00 -0.07 0.44 -0.25 0.00 0.00 175.52 175.57 3dhg h ASP 230 N 0.00 0.00 0.03 5.36 3.32 -1.22 -3.40 116.42 120.51 3dhg h ASP 230 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3dhg h ASP 230 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3dhg h ASP 230 CO 0.00 0.07 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.37 3dhg h GLU 231 N 0.00 -0.24 -0.49 3.56 4.57 -1.27 -2.68 114.58 118.03 3dhg h GLU 231 Ca -0.00 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3dhg h GLU 231 Cb 0.89 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 3dhg h GLU 231 CO 0.01 -0.16 0.34 0.66 -1.18 0.00 0.00 179.01 178.68 3dhg h SER 232 N -0.25 0.20 -0.96 1.04 4.64 -1.78 0.20 113.55 116.64 3dhg h SER 232 Ca 0.04 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3dhg h SER 232 Cb 0.29 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 3dhg h SER 232 CO -0.11 0.12 0.62 -0.09 -0.87 0.00 0.00 176.83 176.49 3dhg h ARG 233 N 0.22 1.02 0.00 4.77 2.43 -1.77 -2.63 114.38 118.43 3dhg h ARG 233 Ca 0.23 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 3dhg h ARG 233 Cb 0.62 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3dhg h ARG 233 CO -0.04 0.68 -1.70 -2.39 -1.51 0.00 0.00 179.97 175.00 3dhg n HIS 234 N -4.52 0.00 0.29 2.20 1.44 -0.97 -4.55 115.22 109.11 3dhg n HIS 234 Ca 0.16 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.02 3dhg n HIS 234 Cb 0.24 -0.50 0.87 0.00 0.12 0.00 0.00 29.99 30.72 3dhg n HIS 234 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dhg h ALA 235 N 0.53 1.35 0.00 1.59 0.00 -0.62 -2.63 119.26 119.48 3dhg h ALA 235 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dhg h ALA 235 Cb 1.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3dhg h ALA 235 CO 0.01 0.06 0.00 -0.56 0.00 0.00 0.00 179.25 178.76 3dhg h GLN 236 N 0.00 0.00 -0.01 0.00 3.07 -1.69 -3.32 115.11 113.16 3dhg h GLN 236 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 3dhg h GLN 236 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 3dhg h GLN 236 CO 0.01 0.00 -0.18 1.96 0.09 0.00 0.00 178.83 180.70 3dhg h GLN 237 N 0.00 0.01 -0.42 0.06 4.20 -1.76 -3.17 115.11 114.02 3dhg h GLN 237 Ca 0.00 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 3dhg h GLN 237 Cb 0.11 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3dhg h GLN 237 CO 0.00 0.20 -0.28 0.78 -0.67 0.00 0.00 178.83 178.86 3dhg h GLY 238 N 0.57 0.99 -0.04 3.46 0.00 -1.68 -3.24 103.07 103.13 3dhg h GLY 238 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 47.33 46.43 3dhg h GLY 238 CO 0.02 0.84 -0.46 -1.33 0.00 0.00 0.00 176.54 175.61 3dhg h GLY 239 N 0.88 -1.17 0.71 4.60 0.00 -1.83 0.44 103.07 106.70 3dhg h GLY 239 Ca 0.09 0.67 0.12 0.00 0.00 0.00 0.00 47.33 48.21 3dhg h GLY 239 CO 0.07 -0.27 0.53 -2.55 0.00 0.00 0.00 176.54 174.32 3dhg h PRO 240 N -0.55 0.61 -0.26 4.80 0.11 -1.75 0.39 132.00 135.36 3dhg h PRO 240 Ca 0.02 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3dhg h PRO 240 Cb 0.60 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3dhg h PRO 240 CO -0.33 0.41 -0.25 0.00 -0.21 0.00 0.00 178.00 177.62 3dhg h ALA 241 N 1.61 0.38 -0.68 -0.75 0.00 -1.42 -2.00 119.26 116.41 3dhg h ALA 241 Ca 0.39 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dhg h ALA 241 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3dhg h ALA 241 CO -0.15 0.36 0.37 -0.07 0.00 0.00 0.00 179.25 179.75 3dhg h LEU 242 N 0.35 0.87 -0.63 0.00 3.38 -0.33 -1.55 115.31 117.38 3dhg h LEU 242 Ca 0.04 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3dhg h LEU 242 Cb 0.81 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3dhg h LEU 242 CO 0.06 0.72 0.38 -0.61 0.09 0.00 0.00 178.44 179.08 3dhg h GLN 243 N 0.94 0.71 -0.45 1.13 4.15 -0.78 -0.66 115.11 120.14 3dhg h GLN 243 Ca 0.24 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 3dhg h GLN 243 Cb 0.06 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3dhg h GLN 243 CO -0.04 0.47 0.18 -0.07 -1.93 0.00 0.00 178.83 177.44 3dhg h LEU 244 N 0.73 0.63 -0.35 -2.39 3.38 -1.05 0.88 115.31 117.14 3dhg h LEU 244 Ca 0.26 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dhg h LEU 244 Cb 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dhg h LEU 244 CO -0.13 0.63 0.19 -0.07 0.09 0.00 0.00 178.44 179.16 3dhg h LEU 245 N 0.59 0.31 -0.52 1.67 3.38 -1.02 -1.84 115.31 117.88 3dhg h LEU 245 Ca 0.15 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3dhg h LEU 245 Cb 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dhg h LEU 245 CO -0.01 0.22 0.06 0.40 0.09 0.00 0.00 178.44 179.21 3dhg h ILE 246 N 0.40 1.26 0.00 1.22 2.04 -0.76 -0.70 117.51 120.96 3dhg h ILE 246 Ca 0.14 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3dhg h ILE 246 Cb 0.02 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3dhg h ILE 246 CO -0.08 0.35 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 3dhg n GLU 247 N -4.36 0.18 -1.40 2.37 1.02 0.27 -3.53 120.64 115.20 3dhg n GLU 247 Ca 0.02 0.39 -0.18 0.00 -0.02 0.00 0.00 57.16 57.37 3dhg n GLU 247 Cb 0.28 -1.84 0.10 0.00 -0.02 0.00 0.00 31.44 29.96 3dhg n GLU 247 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dhg n ASN 248 N -2.18 4.41 -1.93 1.62 4.13 -0.66 -4.97 115.26 115.67 3dhg n ASN 248 Ca 0.02 -3.78 -0.15 0.00 1.68 0.00 0.00 54.58 52.35 3dhg n ASN 248 Cb 0.24 -0.58 0.01 0.00 -1.54 0.00 0.00 39.78 37.91 3dhg n ASN 248 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dhg n GLY 249 N -0.92 -0.20 0.60 7.41 0.00 -1.17 -4.91 105.19 105.99 3dhg n GLY 249 Ca 0.43 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.30 3dhg n GLY 249 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dhg n LYS 250 N -2.74 1.09 -0.27 1.61 4.76 -0.36 -4.84 118.16 117.42 3dhg n LYS 250 Ca -0.13 -2.67 -0.04 0.00 -2.87 0.00 0.00 58.31 52.60 3dhg n LYS 250 Cb 0.61 -1.21 0.11 0.00 -1.84 0.00 0.00 35.03 32.70 3dhg n LYS 250 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3dhg h ARG 251 N 0.63 1.13 -0.50 1.97 2.43 -1.81 0.08 114.38 118.31 3dhg h ARG 251 Ca -0.04 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 58.87 3dhg h ARG 251 Cb 1.19 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 3dhg h ARG 251 CO 0.02 0.89 -0.02 0.93 -1.51 0.00 0.00 179.97 180.27 3dhg h GLU 252 N 1.11 0.90 -0.31 0.20 3.07 -1.95 0.02 114.58 117.61 3dhg h GLU 252 Ca 0.26 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3dhg h GLU 252 Cb 0.15 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3dhg h GLU 252 CO -0.03 0.94 0.12 0.93 -1.40 0.00 0.00 179.01 179.57 3dhg h GLU 253 N 0.76 0.47 -0.42 2.33 3.07 -1.84 -1.75 114.58 117.20 3dhg h GLU 253 Ca 0.14 -0.09 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 3dhg h GLU 253 Cb 0.55 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 3dhg h GLU 253 CO 0.03 0.49 0.15 0.00 -1.40 0.00 0.00 179.01 178.28 3dhg h ALA 254 N 0.96 0.50 -0.89 3.43 0.00 -0.79 -2.65 119.26 119.82 3dhg h ALA 254 Ca 0.10 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3dhg h ALA 254 Cb 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3dhg h ALA 254 CO -0.01 -0.23 0.58 0.37 0.00 0.00 0.00 179.25 179.96 3dhg h GLN 255 N 0.32 1.06 -0.38 0.00 5.75 -0.70 -2.47 115.11 118.70 3dhg h GLN 255 Ca 0.19 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 3dhg h GLN 255 Cb 0.18 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3dhg h GLN 255 CO -0.19 0.70 -0.25 -0.22 -2.65 0.00 0.00 178.83 176.22 3dhg h LYS 256 N 1.10 0.85 -0.42 1.69 3.64 -0.98 0.18 116.57 122.63 3dhg h LYS 256 Ca 0.36 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3dhg h LYS 256 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3dhg h LYS 256 CO -0.11 1.03 0.17 0.87 -2.27 0.00 0.00 179.45 179.14 3dhg h LYS 257 N 0.65 0.63 -0.37 1.90 1.57 -1.26 -1.75 116.57 117.95 3dhg h LYS 257 Ca 0.08 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dhg h LYS 257 Cb 0.81 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3dhg h LYS 257 CO 0.07 0.58 0.21 0.28 -0.57 0.00 0.00 179.45 180.02 3dhg h VAL 258 N 0.53 1.13 -0.39 0.50 2.07 -1.27 -0.92 116.25 117.90 3dhg h VAL 258 Ca 0.14 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3dhg h VAL 258 Cb 0.19 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 3dhg h VAL 258 CO -0.01 0.14 -0.07 0.44 0.02 0.00 0.00 177.57 178.08 3dhg h ASP 259 N 0.47 -0.31 -0.10 0.57 3.32 -0.79 -0.73 116.42 118.85 3dhg h ASP 259 Ca 0.13 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3dhg h ASP 259 Cb 0.03 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3dhg h ASP 259 CO -0.02 -0.11 0.02 0.24 -1.72 0.00 0.00 179.24 177.65 3dhg h MET 260 N 0.02 0.16 -0.63 3.56 2.86 -1.13 -3.13 114.93 116.63 3dhg h MET 260 Ca 0.19 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3dhg h MET 260 Cb 0.29 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3dhg h MET 260 CO -0.38 0.34 0.22 0.00 1.06 0.00 0.00 176.91 178.15 3dhg h ALA 261 N 0.81 0.82 -0.38 6.32 0.00 -0.88 -2.02 119.26 123.93 3dhg h ALA 261 Ca 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3dhg h ALA 261 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dhg h ALA 261 CO 0.00 0.48 0.02 0.82 0.00 0.00 0.00 179.25 180.57 3dhg h ILE 262 N 0.90 1.25 -0.10 0.00 2.04 -1.19 -0.54 117.51 119.87 3dhg h ILE 262 Ca 0.21 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3dhg h ILE 262 Cb 0.26 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3dhg h ILE 262 CO -0.01 0.32 0.03 -0.25 0.00 0.00 0.00 178.15 178.24 3dhg h TRP 263 N 0.48 0.17 -0.77 1.37 2.91 -1.47 -1.38 115.95 117.24 3dhg h TRP 263 Ca 0.11 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.16 3dhg h TRP 263 Cb 0.43 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.98 3dhg h TRP 263 CO 0.03 0.30 0.48 0.00 -1.03 0.00 0.00 178.44 178.22 3dhg h ARG 264 N -0.02 0.88 -0.57 2.65 3.08 -1.21 -2.07 114.38 117.12 3dhg h ARG 264 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3dhg h ARG 264 Cb 0.21 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3dhg h ARG 264 CO -0.00 0.58 0.32 0.00 -1.07 0.00 0.00 179.97 179.80 3dhg h ALA 265 N 1.35 0.73 -0.19 0.04 0.00 -0.90 -3.05 119.26 117.23 3dhg h ALA 265 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3dhg h ALA 265 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3dhg h ALA 265 CO -0.14 0.24 -0.01 2.35 0.00 0.00 0.00 179.25 181.68 3dhg h TRP 266 N 0.77 -0.04 -0.48 0.00 -0.00 -0.71 0.89 115.95 116.38 3dhg h TRP 266 Ca 0.20 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.13 3dhg h TRP 266 Cb 0.03 0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.21 3dhg h TRP 266 CO -0.01 -0.05 0.28 0.00 -0.00 0.00 0.00 178.44 178.66 3dhg h ARG 267 N 0.04 0.54 -0.44 2.65 2.47 -1.32 0.15 114.38 118.47 3dhg h ARG 267 Ca 0.09 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 3dhg h ARG 267 Cb 0.12 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3dhg h ARG 267 CO -0.17 0.36 -0.05 1.25 0.56 0.00 0.00 179.97 181.92 3dhg h LEU 268 N 0.56 0.80 -0.92 3.04 5.85 -1.41 -2.82 115.31 120.41 3dhg h LEU 268 Ca 0.19 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3dhg h LEU 268 Cb 0.02 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 3dhg h LEU 268 CO -0.09 0.95 0.58 0.15 -0.34 0.00 0.00 178.44 179.69 3dhg h PHE 269 N 0.64 1.08 0.00 1.25 3.57 -0.46 -1.73 116.94 121.29 3dhg h PHE 269 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3dhg h PHE 269 Cb 0.57 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3dhg h PHE 269 CO 0.04 0.56 -0.20 0.00 -2.23 0.00 0.00 178.31 176.48 3dhg h ALA 270 N 1.42 1.60 0.03 2.41 0.00 -0.47 -1.18 119.26 123.08 3dhg h ALA 270 Ca 0.40 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.81 3dhg h ALA 270 Cb 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3dhg h ALA 270 CO -0.17 0.26 -1.78 1.55 0.00 0.00 0.00 179.25 179.11 3dhg n VAL 271 N -4.21 1.65 -0.00 0.00 3.14 -1.01 -3.58 118.33 114.32 3dhg n VAL 271 Ca -0.02 -0.76 -0.17 0.00 -2.96 0.00 0.00 64.34 60.43 3dhg n VAL 271 Cb 0.27 -1.21 -0.14 0.00 -1.06 0.00 0.00 33.84 31.70 3dhg n VAL 271 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3dhg n LEU 272 N -3.15 2.03 -0.08 6.55 4.77 -0.68 -4.46 117.00 121.97 3dhg n LEU 272 Ca -0.20 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3dhg n LEU 272 Cb 1.05 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3dhg n LEU 272 CO 0.45 0.69 -1.02 0.41 -1.33 0.00 0.00 177.39 176.59 3dhg n THR 273 N -3.33 0.93 -0.21 -5.08 -1.04 -0.47 -4.39 114.28 100.69 3dhg n THR 273 Ca -0.27 -0.38 -0.08 0.00 -2.04 0.00 0.00 64.05 61.28 3dhg n THR 273 Cb 1.05 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 3dhg n THR 273 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3dhg h GLY 274 N 1.43 -0.44 1.58 3.41 0.00 -1.55 -1.82 103.07 105.69 3dhg h GLY 274 Ca -0.36 0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 3dhg h GLY 274 CO -0.05 -0.16 0.12 -2.55 0.00 0.00 0.00 176.54 173.90 3dhg h PRO 275 N -0.22 0.54 -0.47 4.80 0.11 -1.78 -2.70 132.00 132.27 3dhg h PRO 275 Ca 0.18 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.23 3dhg h PRO 275 Cb 0.56 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3dhg h PRO 275 CO -0.69 0.47 0.29 0.28 -0.21 0.00 0.00 178.00 178.14 3dhg h VAL 276 N 0.53 1.06 -0.30 3.15 2.07 -1.57 0.23 116.25 121.42 3dhg h VAL 276 Ca 0.13 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 3dhg h VAL 276 Cb 0.16 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3dhg h VAL 276 CO -0.01 0.10 -0.43 0.24 0.02 0.00 0.00 177.57 177.50 3dhg h MET 277 N 0.58 0.82 0.00 1.57 2.86 -1.21 -1.20 114.93 118.34 3dhg h MET 277 Ca 0.19 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3dhg h MET 277 Cb -0.00 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3dhg h MET 277 CO -0.08 1.11 -1.02 -0.25 1.06 0.00 0.00 176.91 177.74 3dhg n ASP 278 N -4.11 0.98 0.00 1.22 9.92 -1.03 -4.52 116.55 119.00 3dhg n ASP 278 Ca -0.04 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 3dhg n ASP 278 Cb 0.56 1.02 0.00 0.00 -0.64 0.00 0.00 41.12 42.06 3dhg n ASP 278 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3dhg n TYR 279 N -1.51 0.00 0.11 1.24 4.01 0.03 -4.93 117.16 116.11 3dhg n TYR 279 Ca 0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 3dhg n TYR 279 Cb 0.33 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.21 3dhg n TYR 279 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3dhg h TYR 280 N 0.00 0.84 -2.38 -0.72 0.99 -1.30 -3.38 116.97 111.02 3dhg h TYR 280 Ca 0.00 -0.61 -0.55 0.00 2.00 0.00 0.00 58.73 59.57 3dhg h TYR 280 Cb 0.31 -0.03 0.03 0.00 1.00 0.00 0.00 36.73 38.04 3dhg h TYR 280 CO 0.00 1.50 1.11 2.41 -0.00 0.00 0.00 178.16 183.18 3dhg n THR 281 N -3.83 0.45 -1.77 -2.88 -1.04 -0.46 -4.41 114.28 100.34 3dhg n THR 281 Ca -0.17 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.05 61.37 3dhg n THR 281 Cb 1.02 -2.08 0.04 0.00 -1.82 0.00 0.00 70.33 67.49 3dhg n THR 281 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3dhg s PRO 282 N 3.12 3.30 0.26 -2.82 0.04 -1.26 -4.86 135.00 132.78 3dhg s PRO 282 Ca 0.85 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 64.15 3dhg s PRO 282 Cb -0.52 -2.38 0.51 0.00 0.04 0.00 0.00 34.50 32.15 3dhg s PRO 282 CO 0.40 -1.09 1.61 1.25 0.04 0.00 0.00 177.00 179.21 3dhg h LEU 283 N 1.72 -0.47 -2.31 -3.56 5.85 -1.93 0.31 115.31 114.92 3dhg h LEU 283 Ca -0.51 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3dhg h LEU 283 Cb 1.29 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 3dhg h LEU 283 CO 0.58 -0.25 -0.01 1.05 -0.34 0.00 0.00 178.44 179.48 3dhg h GLU 284 N 0.06 0.00 -0.01 1.25 9.09 -2.02 -1.72 114.58 121.22 3dhg h GLU 284 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 3dhg h GLU 284 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3dhg h GLU 284 CO -0.78 0.01 -0.11 -0.25 0.05 0.00 0.00 179.01 177.93 3dhg n ASP 285 N -3.16 1.59 -4.52 3.06 10.43 0.09 -4.90 116.55 119.15 3dhg n ASP 285 Ca -0.02 -1.38 -0.42 0.00 2.57 0.00 0.00 54.79 55.55 3dhg n ASP 285 Cb 0.18 0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.18 3dhg n ASP 285 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3dhg s ARG 286 N -2.19 3.17 0.29 -1.24 0.52 -0.65 -4.85 118.95 114.00 3dhg s ARG 286 Ca 0.31 -0.47 0.15 0.00 -0.52 0.00 0.00 55.73 55.20 3dhg s ARG 286 Cb 0.20 -4.22 0.29 0.00 0.52 0.00 0.00 34.95 31.74 3dhg s ARG 286 CO 0.40 -2.04 1.55 0.66 0.02 0.00 0.00 175.30 175.90 3dhg h SER 287 N 9.86 0.00 -4.97 0.23 4.64 -1.90 -3.46 113.55 117.95 3dhg h SER 287 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3dhg h SER 287 Cb 1.06 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.03 3dhg h SER 287 CO 1.25 0.55 0.24 0.00 -0.87 0.00 0.00 176.83 178.00 3dhg s GLN 288 N -3.24 1.28 0.81 4.77 -2.07 -1.26 -5.13 119.66 114.83 3dhg s GLN 288 Ca 0.01 -0.50 -0.12 0.00 -1.82 0.00 0.00 55.36 52.93 3dhg s GLN 288 Cb 0.10 0.57 0.08 0.00 -1.09 0.00 0.00 33.01 32.67 3dhg s GLN 288 CO 0.74 -0.56 1.12 -1.54 -1.32 0.00 0.00 175.29 173.73 3dhg s SER 289 N -2.74 4.42 0.19 12.60 1.04 -1.26 -4.89 113.70 123.06 3dhg s SER 289 Ca 0.02 1.08 -0.12 0.00 0.48 0.00 0.00 55.95 57.41 3dhg s SER 289 Cb -0.01 -1.73 0.15 0.00 0.10 0.00 0.00 66.02 64.52 3dhg s SER 289 CO -0.11 -1.99 1.82 0.15 0.98 0.00 0.00 173.24 174.09 3dhg h PHE 290 N -1.11 0.64 -0.55 5.02 3.57 -1.88 -1.14 116.94 121.50 3dhg h PHE 290 Ca -0.47 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 3dhg h PHE 290 Cb 1.29 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3dhg h PHE 290 CO 0.40 0.35 0.18 -0.22 -2.23 0.00 0.00 178.31 176.79 3dhg h LYS 291 N 0.67 0.85 -0.70 1.11 3.64 -1.94 -0.25 116.57 119.96 3dhg h LYS 291 Ca 0.24 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3dhg h LYS 291 Cb 0.06 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 3dhg h LYS 291 CO -0.12 0.77 0.42 0.93 -2.27 0.00 0.00 179.45 179.18 3dhg h GLU 292 N 0.77 0.77 -0.24 1.90 5.08 -1.86 -0.46 114.58 120.54 3dhg h GLU 292 Ca 0.18 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3dhg h GLU 292 Cb 0.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3dhg h GLU 292 CO -0.01 0.51 0.11 0.35 -1.00 0.00 0.00 179.01 178.97 3dhg h PHE 293 N 0.80 0.20 -0.42 4.33 3.57 -0.69 0.20 116.94 124.93 3dhg h PHE 293 Ca 0.30 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3dhg h PHE 293 Cb 0.10 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3dhg h PHE 293 CO -0.06 0.11 0.26 0.52 -2.23 0.00 0.00 178.31 176.91 3dhg h MET 294 N 0.24 0.56 -0.18 1.11 2.86 -0.58 0.65 114.93 119.58 3dhg h MET 294 Ca 0.10 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 3dhg h MET 294 Cb 0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3dhg h MET 294 CO -0.08 0.41 -0.42 1.88 1.06 0.00 0.00 176.91 179.76 3dhg h TYR 295 N 0.55 0.50 0.19 -0.22 0.05 -0.78 0.18 116.97 117.45 3dhg h TYR 295 Ca 0.15 -0.14 -0.26 0.00 0.05 0.00 0.00 58.73 58.53 3dhg h TYR 295 Cb -0.01 -0.11 0.03 0.00 1.01 0.00 0.00 36.73 37.65 3dhg h TYR 295 CO -0.04 0.78 -1.13 1.49 -1.05 0.00 0.00 178.16 178.21 3dhg h GLU 296 N 0.35 0.43 0.00 4.88 4.81 -0.51 -3.39 114.58 121.16 3dhg h GLU 296 Ca 0.03 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3dhg h GLU 296 Cb 0.88 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3dhg h GLU 296 CO 0.07 1.34 -1.20 0.91 -0.73 0.00 0.00 179.01 179.40 3dhg n TRP 297 N -3.93 0.00 -0.02 0.92 7.02 0.21 -4.86 117.44 116.78 3dhg n TRP 297 Ca -0.15 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.27 3dhg n TRP 297 Cb 0.96 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 29.69 3dhg n TRP 297 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3dhg n ILE 298 N -1.67 0.90 -0.03 -0.99 2.08 -0.72 -4.69 119.36 114.24 3dhg n ILE 298 Ca -0.01 0.11 -0.13 0.00 0.56 0.00 0.00 62.75 63.28 3dhg n ILE 298 Cb 0.17 -1.72 -0.08 0.00 -0.75 0.00 0.00 39.64 37.25 3dhg n ILE 298 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3dhg h ILE 299 N -0.30 1.34 -0.34 1.39 2.04 -0.90 -1.97 117.51 118.76 3dhg h ILE 299 Ca -0.11 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 3dhg h ILE 299 Cb 0.74 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3dhg h ILE 299 CO -0.06 0.30 -0.06 1.23 0.00 0.00 0.00 178.15 179.56 3dhg h GLY 300 N -0.27 0.70 0.13 5.37 0.00 -1.81 -1.76 103.07 105.42 3dhg h GLY 300 Ca 0.01 -0.56 0.12 0.00 0.00 0.00 0.00 47.33 46.91 3dhg h GLY 300 CO 0.01 0.51 0.13 1.46 0.00 0.00 0.00 176.54 178.65 3dhg h GLN 301 N 0.44 0.25 -0.34 4.80 7.50 -1.83 0.40 115.11 126.34 3dhg h GLN 301 Ca 0.09 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.23 3dhg h GLN 301 Cb 0.54 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 3dhg h GLN 301 CO 0.03 0.17 0.22 0.74 -1.50 0.00 0.00 178.83 178.48 3dhg h PHE 302 N 0.26 0.43 -0.42 2.96 0.04 -1.15 -1.01 116.94 118.05 3dhg h PHE 302 Ca 0.33 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.14 3dhg h PHE 302 Cb 0.51 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3dhg h PHE 302 CO -0.25 0.28 0.21 0.93 -0.60 0.00 0.00 178.31 178.88 3dhg h GLU 303 N 0.45 0.42 -0.01 1.51 5.08 -0.34 -0.69 114.58 121.00 3dhg h GLU 303 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3dhg h GLU 303 Cb -0.04 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3dhg h GLU 303 CO -0.03 0.28 0.01 0.00 -1.00 0.00 0.00 179.01 178.27 3dhg h ARG 304 N 0.43 0.02 -0.33 2.33 2.47 -0.88 -1.21 114.38 117.20 3dhg h ARG 304 Ca 0.18 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.81 3dhg h ARG 304 Cb 0.08 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3dhg h ARG 304 CO -0.12 0.02 -0.16 0.66 0.56 0.00 0.00 179.97 180.93 3dhg h SER 305 N 0.01 0.59 0.01 7.04 4.64 -0.84 0.10 113.55 125.10 3dhg h SER 305 Ca 0.00 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3dhg h SER 305 Cb 0.01 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3dhg h SER 305 CO -0.00 0.76 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.65 3dhg h LEU 306 N 0.54 -0.01 -0.46 5.97 3.38 -1.09 -2.71 115.31 120.94 3dhg h LEU 306 Ca 0.09 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.75 3dhg h LEU 306 Cb 0.58 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3dhg h LEU 306 CO 0.04 0.39 0.05 0.40 0.09 0.00 0.00 178.44 179.41 3dhg h ILE 307 N -0.41 0.71 -0.52 1.22 2.04 -1.08 -0.76 117.51 118.70 3dhg h ILE 307 Ca -0.00 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 65.95 3dhg h ILE 307 Cb 0.40 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3dhg h ILE 307 CO 0.00 0.03 0.38 0.44 0.00 0.00 0.00 178.15 179.01 3dhg h ASP 308 N 0.18 0.00 0.25 1.72 3.32 -0.75 -1.40 116.42 119.73 3dhg h ASP 308 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3dhg h ASP 308 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3dhg h ASP 308 CO -0.33 0.00 -0.53 0.18 -1.72 0.00 0.00 179.24 176.84 3dhg n LEU 309 N -4.33 0.96 0.00 1.55 4.77 -0.56 -4.94 117.00 114.46 3dhg n LEU 309 Ca 0.10 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3dhg n LEU 309 Cb 0.61 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3dhg n LEU 309 CO 0.36 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3dhg n GLY 310 N 1.44 0.52 4.02 -0.72 0.00 -0.53 -4.92 105.19 105.01 3dhg n GLY 310 Ca 0.08 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 3dhg n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhg s LEU 311 N 0.00 3.32 0.31 0.99 1.43 -0.40 -5.02 118.68 119.30 3dhg s LEU 311 Ca 0.00 -0.63 0.10 0.00 -1.03 0.00 0.00 54.13 52.58 3dhg s LEU 311 Cb 0.00 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 3dhg s LEU 311 CO 0.00 -1.14 -0.14 -1.81 0.23 0.00 0.00 176.35 173.49 3dhg s ASP 312 N -4.54 3.61 0.20 2.29 1.01 -1.26 -3.88 116.67 114.10 3dhg s ASP 312 Ca 0.59 -1.12 -0.33 0.00 0.71 0.00 0.00 52.55 52.40 3dhg s ASP 312 Cb -0.08 -0.32 -0.14 0.00 1.01 0.00 0.00 42.92 43.40 3dhg s ASP 312 CO 0.37 -0.11 1.46 0.29 0.21 0.00 0.00 175.17 177.39 3dhg n LYS 313 N -0.70 2.01 -1.21 8.23 5.02 -1.26 -4.92 118.16 125.33 3dhg n LYS 313 Ca -0.05 0.72 -0.36 0.00 -2.02 0.00 0.00 58.31 56.60 3dhg n LYS 313 Cb 0.62 -2.41 0.06 0.00 -0.02 0.00 0.00 35.03 33.28 3dhg n LYS 313 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3dhg n PRO 314 N 2.55 0.20 -0.04 1.97 -0.02 -1.26 -4.85 135.00 133.55 3dhg n PRO 314 Ca 0.14 0.10 0.23 0.00 -2.02 0.00 0.00 63.50 61.95 3dhg n PRO 314 Cb 0.30 -1.67 0.71 0.00 -0.02 0.00 0.00 33.50 32.81 3dhg n PRO 314 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3dhg h TRP 315 N -0.46 0.00 -0.47 6.00 5.08 -1.98 -2.67 115.95 121.45 3dhg h TRP 315 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3dhg h TRP 315 Cb 1.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3dhg h TRP 315 CO 0.33 0.00 0.00 2.48 -1.28 0.00 0.00 178.44 179.97 3dhg n TYR 316 N -4.23 0.93 -0.24 0.12 0.18 -1.26 -4.67 117.16 107.99 3dhg n TYR 316 Ca 0.12 -0.39 0.02 0.00 1.88 0.00 0.00 57.90 59.53 3dhg n TYR 316 Cb 0.72 -0.13 0.15 0.00 -0.38 0.00 0.00 39.34 39.69 3dhg n TYR 316 CO 0.00 0.00 0.00 2.35 -2.08 0.00 0.00 176.86 177.13 3dhg h TRP 317 N 2.89 0.57 -1.00 -3.48 2.91 -1.82 0.46 115.95 116.47 3dhg h TRP 317 Ca 0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.10 3dhg h TRP 317 Cb 0.96 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.40 3dhg h TRP 317 CO 0.48 0.17 0.65 -0.44 -1.03 0.00 0.00 178.44 178.27 3dhg h ASP 318 N 0.53 1.08 -0.48 2.65 3.32 -1.88 -0.80 116.42 120.85 3dhg h ASP 318 Ca 0.36 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 3dhg h ASP 318 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3dhg h ASP 318 CO -0.31 0.72 0.10 -0.07 -1.72 0.00 0.00 179.24 177.97 3dhg h LEU 319 N 1.24 0.74 -0.00 1.55 4.07 -0.50 -1.27 115.31 121.14 3dhg h LEU 319 Ca 0.41 -0.24 0.03 0.00 0.08 0.00 0.00 57.88 58.16 3dhg h LEU 319 Cb 0.05 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.54 3dhg h LEU 319 CO -0.14 0.79 -0.37 0.15 -1.08 0.00 0.00 178.44 177.79 3dhg h PHE 320 N 0.66 -1.04 -0.97 1.13 3.57 -0.69 -1.47 116.94 118.12 3dhg h PHE 320 Ca 0.15 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3dhg h PHE 320 Cb 0.35 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3dhg h PHE 320 CO 0.02 -0.46 0.65 -0.07 -2.23 0.00 0.00 178.31 176.22 3dhg h LEU 321 N -0.52 1.11 -0.85 0.59 3.38 -0.84 -1.01 115.31 117.16 3dhg h LEU 321 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dhg h LEU 321 Cb 0.61 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3dhg h LEU 321 CO -0.29 0.80 0.47 0.50 0.09 0.00 0.00 178.44 180.00 3dhg h LYS 322 N 1.31 1.19 -0.20 1.13 3.64 -1.01 -2.46 116.57 120.17 3dhg h LYS 322 Ca 0.36 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3dhg h LYS 322 Cb -0.14 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.43 3dhg h LYS 322 CO -0.08 0.88 -0.10 0.22 -2.27 0.00 0.00 179.45 178.10 3dhg h ASP 323 N 1.19 0.30 -0.13 4.20 3.58 -0.11 -2.44 116.42 123.01 3dhg h ASP 323 Ca 0.30 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 3dhg h ASP 323 Cb 0.03 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3dhg h ASP 323 CO -0.05 0.44 0.05 0.40 -2.88 0.00 0.00 179.24 177.20 3dhg h ILE 324 N 0.31 1.09 0.00 2.25 2.04 -0.93 0.19 117.51 122.46 3dhg h ILE 324 Ca 0.06 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3dhg h ILE 324 Cb 0.37 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3dhg h ILE 324 CO 0.02 0.11 -0.07 0.44 0.00 0.00 0.00 178.15 178.65 3dhg h ASP 325 N 0.26 0.00 0.00 1.72 3.45 -1.51 -3.42 116.42 116.92 3dhg h ASP 325 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3dhg h ASP 325 Cb 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3dhg h ASP 325 CO -0.00 0.07 -0.68 -0.62 -1.57 0.00 0.00 179.24 176.44 3dhg n GLU 326 N -3.17 0.00 -0.05 3.56 1.02 -0.55 -4.91 120.64 116.55 3dhg n GLU 326 Ca 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 3dhg n GLU 326 Cb 0.39 -0.61 -0.04 0.00 -0.02 0.00 0.00 31.44 31.16 3dhg n GLU 326 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dhg h LEU 327 N 0.00 0.25 -1.16 -4.62 5.85 -0.92 -2.79 115.31 111.92 3dhg h LEU 327 Ca 0.00 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3dhg h LEU 327 Cb 0.68 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3dhg h LEU 327 CO 0.00 0.31 -0.33 1.12 -0.34 0.00 0.00 178.44 179.20 3dhg h HIS 328 N 0.16 0.00 -0.47 1.25 2.07 -1.79 -0.52 115.15 115.85 3dhg h HIS 328 Ca 0.06 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.52 3dhg h HIS 328 Cb 0.14 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.10 3dhg h HIS 328 CO -0.02 0.33 0.06 0.45 -3.07 0.00 0.00 177.93 175.69 3dhg h HIS 329 N 0.00 0.84 -0.33 6.12 3.86 -1.84 0.22 115.15 124.01 3dhg h HIS 329 Ca -0.00 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 3dhg h HIS 329 Cb 0.76 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3dhg h HIS 329 CO 0.00 0.78 -0.22 0.77 0.86 0.00 0.00 177.93 180.12 3dhg h SER 330 N 0.65 0.78 -0.66 2.45 0.02 -1.46 -2.24 113.55 113.09 3dhg h SER 330 Ca 0.14 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3dhg h SER 330 Cb 0.41 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3dhg h SER 330 CO 0.01 1.04 0.43 1.88 -1.14 0.00 0.00 176.83 179.06 3dhg h TYR 331 N 0.52 0.82 -0.85 3.45 0.99 -0.92 -0.44 116.97 120.54 3dhg h TYR 331 Ca 0.07 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.84 3dhg h TYR 331 Cb 0.78 -0.27 -0.05 0.00 1.00 0.00 0.00 36.73 38.19 3dhg h TYR 331 CO 0.06 0.51 0.55 1.25 -0.00 0.00 0.00 178.16 180.53 3dhg h HIS 332 N 0.88 1.04 -0.56 4.88 2.76 -0.57 -0.42 115.15 123.16 3dhg h HIS 332 Ca 0.24 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 3dhg h HIS 332 Cb -0.08 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.50 3dhg h HIS 332 CO -0.03 0.63 0.06 1.98 -1.30 0.00 0.00 177.93 179.27 3dhg h MET 333 N 1.10 0.91 0.10 5.26 1.85 -0.74 0.89 114.93 124.31 3dhg h MET 333 Ca 0.32 -0.23 -0.01 0.00 -0.61 0.00 0.00 59.70 59.17 3dhg h MET 333 Cb -0.06 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 31.86 3dhg h MET 333 CO -0.09 0.87 -0.05 0.78 -0.40 0.00 0.00 176.91 178.02 3dhg h GLY 334 N 1.00 -0.14 0.63 1.39 0.00 -0.62 0.58 103.07 105.91 3dhg h GLY 334 Ca 0.17 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.60 3dhg h GLY 334 CO 0.01 -0.05 0.10 -2.08 0.00 0.00 0.00 176.54 174.52 3dhg h VAL 335 N -0.39 0.86 -0.02 4.60 2.07 -0.93 -0.30 116.25 122.13 3dhg h VAL 335 Ca -0.01 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3dhg h VAL 335 Cb 0.33 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3dhg h VAL 335 CO 0.02 0.04 -0.00 -0.25 0.02 0.00 0.00 177.57 177.40 3dhg h TRP 336 N 0.24 0.05 -0.85 1.57 7.01 -0.77 -0.40 115.95 122.79 3dhg h TRP 336 Ca 0.17 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.20 3dhg h TRP 336 Cb 0.17 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 3dhg h TRP 336 CO -0.16 0.39 0.54 -0.92 -2.79 0.00 0.00 178.44 175.50 3dhg h TYR 337 N -0.30 1.01 -0.73 2.65 3.20 -0.78 -1.40 116.97 120.62 3dhg h TYR 337 Ca 0.01 0.03 -0.39 0.00 3.14 0.00 0.00 58.73 61.51 3dhg h TYR 337 Cb 0.38 -0.33 -0.22 0.00 1.54 0.00 0.00 36.73 38.09 3dhg h TYR 337 CO 0.05 0.56 0.50 0.91 -1.64 0.00 0.00 178.16 178.54 3dhg n TRP 338 N -4.57 2.26 0.10 -3.82 8.01 -0.13 -4.35 117.44 114.94 3dhg n TRP 338 Ca 0.11 -1.62 0.19 0.00 -1.31 0.00 0.00 57.50 54.87 3dhg n TRP 338 Cb 0.12 -0.82 0.75 0.00 -2.01 0.00 0.00 31.31 29.34 3dhg n TRP 338 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3dhg h ARG 339 N 0.86 0.00 0.00 -0.99 0.11 0.11 0.38 114.38 114.85 3dhg h ARG 339 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 3dhg h ARG 339 Cb 2.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.25 3dhg h ARG 339 CO 0.86 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.93 3dhg h THR 340 N 0.00 0.00 -0.01 0.08 1.03 -1.81 -1.69 112.91 110.50 3dhg h THR 340 Ca 0.17 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3dhg h THR 340 Cb 0.80 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 3dhg h THR 340 CO -0.00 0.00 -0.26 0.35 -0.01 0.00 0.00 175.52 175.59 3dhg n THR 341 N -2.71 0.00 -3.54 0.00 -2.24 0.12 -3.72 114.28 102.20 3dhg n THR 341 Ca -0.01 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 3dhg n THR 341 Cb 0.15 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 3dhg n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhg s ALA 342 N -2.37 3.76 -2.41 6.98 0.00 -0.68 -4.57 121.76 122.47 3dhg s ALA 342 Ca 0.25 -0.92 0.22 0.00 0.00 0.00 0.00 51.96 51.51 3dhg s ALA 342 Cb 0.19 -2.04 0.54 0.00 0.00 0.00 0.00 23.12 21.81 3dhg s ALA 342 CO 0.49 0.14 1.45 -2.67 0.00 0.00 0.00 175.76 175.17 3dhg n TRP 343 N -1.41 0.38 -4.54 0.00 2.14 -1.26 -0.87 117.44 111.88 3dhg n TRP 343 Ca -0.05 -0.19 -0.25 0.00 2.07 0.00 0.00 57.50 59.08 3dhg n TRP 343 Cb 0.56 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.96 3dhg n TRP 343 CO 0.00 0.00 0.00 1.67 2.07 0.00 0.00 177.69 181.43 3dhg s TRP 344 N -1.62 2.02 -0.50 -2.67 -2.14 -1.26 -4.73 118.94 108.05 3dhg s TRP 344 Ca 0.36 -0.97 -0.14 0.00 2.66 0.00 0.00 56.10 58.01 3dhg s TRP 344 Cb 0.20 -1.39 0.11 0.00 -3.10 0.00 0.00 33.47 29.29 3dhg s TRP 344 CO 0.29 0.06 0.42 -0.80 -2.66 0.00 0.00 176.95 174.26 3dhg s ASN 345 N -3.60 6.04 0.37 -2.66 0.01 -1.26 -4.08 114.94 109.76 3dhg s ASN 345 Ca 0.30 -1.66 -0.27 0.00 -0.71 0.00 0.00 52.86 50.52 3dhg s ASN 345 Cb 0.07 -2.15 -0.09 0.00 0.41 0.00 0.00 41.25 39.49 3dhg s ASN 345 CO 0.14 -0.74 1.26 -2.84 -1.51 0.00 0.00 177.10 173.41 3dhg s PRO 346 N 1.55 4.14 -0.07 -0.60 0.02 -1.18 -4.04 135.00 134.83 3dhg s PRO 346 Ca 0.04 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 62.95 3dhg s PRO 346 Cb -0.27 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 3dhg s PRO 346 CO 0.03 -0.32 0.55 0.00 -0.33 0.00 0.00 177.00 176.93 3dhg s ALA 347 N -1.25 3.46 0.20 -1.55 0.00 -1.26 -1.29 121.76 120.08 3dhg s ALA 347 Ca 0.54 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 3dhg s ALA 347 Cb -0.37 -2.72 0.15 0.00 0.00 0.00 0.00 23.12 20.18 3dhg s ALA 347 CO 0.48 0.06 1.80 0.00 0.00 0.00 0.00 175.76 178.09 3dhg h ALA 348 N 6.31 0.98 -2.62 0.00 0.00 -1.94 -3.42 119.26 118.56 3dhg h ALA 348 Ca -0.43 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.09 3dhg h ALA 348 Cb 1.19 -0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.71 3dhg h ALA 348 CO 0.73 0.54 -0.35 0.41 0.00 0.00 0.00 179.25 180.58 3dhg n GLY 349 N -0.98 -0.04 1.58 0.00 0.00 -1.26 -4.96 105.19 99.53 3dhg n GLY 349 Ca 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 3dhg n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dhg n VAL 350 N -3.99 1.60 -0.80 1.61 0.24 -1.26 -4.57 118.33 111.17 3dhg n VAL 350 Ca -0.08 -2.91 -0.32 0.00 -2.04 0.00 0.00 64.34 58.99 3dhg n VAL 350 Cb 0.58 0.10 0.16 0.00 -1.47 0.00 0.00 33.84 33.21 3dhg n VAL 350 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dhg n THR 351 N -0.54 0.60 -0.28 3.34 -2.24 -1.26 -4.73 114.28 109.17 3dhg n THR 351 Ca 0.20 -0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 3dhg n THR 351 Cb 0.89 -1.05 0.21 0.00 -2.10 0.00 0.00 70.33 68.28 3dhg n THR 351 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3dhg h PRO 352 N -1.61 0.51 -0.51 -0.78 0.11 -1.90 0.13 132.00 127.95 3dhg h PRO 352 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3dhg h PRO 352 Cb 1.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3dhg h PRO 352 CO 0.42 0.34 0.24 1.49 -0.21 0.00 0.00 178.00 180.28 3dhg h GLU 353 N 0.52 0.74 -0.42 1.05 4.81 -1.94 0.19 114.58 119.53 3dhg h GLU 353 Ca 0.44 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 3dhg h GLU 353 Cb 0.67 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3dhg h GLU 353 CO -0.39 0.61 -0.26 0.93 -0.73 0.00 0.00 179.01 179.17 3dhg h GLU 354 N 0.68 0.90 -0.05 1.92 5.08 -1.75 -2.81 114.58 118.55 3dhg h GLU 354 Ca 0.18 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 3dhg h GLU 354 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dhg h GLU 354 CO -0.02 1.05 -0.36 0.00 -1.00 0.00 0.00 179.01 178.68 3dhg h ARG 355 N 0.77 0.09 -0.49 2.33 3.08 -0.20 -0.97 114.38 118.99 3dhg h ARG 355 Ca 0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3dhg h ARG 355 Cb 0.82 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 3dhg h ARG 355 CO 0.07 0.44 0.32 -0.44 -1.07 0.00 0.00 179.97 179.29 3dhg h ASP 356 N 0.08 0.55 -0.49 7.04 3.32 -0.87 -1.11 116.42 124.94 3dhg h ASP 356 Ca 0.01 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3dhg h ASP 356 Cb 0.68 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3dhg h ASP 356 CO 0.05 0.39 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.65 3dhg h TRP 357 N 0.65 1.01 -0.83 4.55 7.01 -1.09 -0.87 115.95 126.37 3dhg h TRP 357 Ca 0.18 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 3dhg h TRP 357 Cb -0.06 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.71 3dhg h TRP 357 CO -0.05 0.96 0.42 -0.07 -2.79 0.00 0.00 178.44 176.92 3dhg h LEU 358 N 0.76 1.06 -0.44 0.65 3.38 -1.15 0.34 115.31 119.91 3dhg h LEU 358 Ca 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3dhg h LEU 358 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3dhg h LEU 358 CO 0.04 0.88 0.05 -0.08 0.09 0.00 0.00 178.44 179.42 3dhg h GLU 359 N 1.18 0.75 -0.20 1.13 4.57 -0.93 0.91 114.58 121.98 3dhg h GLU 359 Ca 0.29 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3dhg h GLU 359 Cb 0.08 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3dhg h GLU 359 CO -0.04 0.78 0.08 1.49 -1.18 0.00 0.00 179.01 180.14 3dhg h GLU 360 N 0.60 0.29 0.00 1.92 4.81 -0.83 -2.47 114.58 118.91 3dhg h GLU 360 Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3dhg h GLU 360 Cb 0.41 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3dhg h GLU 360 CO 0.01 0.35 -0.05 0.87 -0.73 0.00 0.00 179.01 179.47 3dhg h LYS 361 N 0.17 0.00 -1.48 1.92 1.79 -0.24 -3.38 116.57 115.34 3dhg h LYS 361 Ca 0.07 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.11 3dhg h LYS 361 Cb 0.17 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.52 3dhg h LYS 361 CO -0.01 0.05 -0.83 0.66 -1.08 0.00 0.00 179.45 178.24 3dhg n TYR 362 N -3.16 -1.77 -1.57 -1.35 4.01 0.30 -5.01 117.16 108.61 3dhg n TYR 362 Ca 0.01 -2.72 -0.55 0.00 -0.16 0.00 0.00 57.90 54.48 3dhg n TYR 362 Cb 0.36 0.55 -0.07 0.00 -0.31 0.00 0.00 39.34 39.87 3dhg n TYR 362 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3dhg n PRO 363 N 2.10 0.81 -0.35 -0.72 -0.02 -0.94 -1.20 135.00 134.68 3dhg n PRO 363 Ca 0.20 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3dhg n PRO 363 Cb 0.54 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3dhg n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhg n GLY 364 N 2.35 0.70 0.21 -1.23 0.00 -1.26 -4.98 105.19 100.98 3dhg n GLY 364 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 3dhg n GLY 364 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dhg h TRP 365 N 0.00 0.41 -0.05 1.61 7.01 -1.44 -2.68 115.95 120.81 3dhg h TRP 365 Ca 0.00 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 3dhg h TRP 365 Cb 0.00 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3dhg h TRP 365 CO 0.00 0.17 -0.22 -0.91 -2.79 0.00 0.00 178.44 174.69 3dhg h ASN 366 N 0.44 0.08 0.74 2.65 2.35 -1.90 -1.33 115.58 118.60 3dhg h ASN 366 Ca 0.24 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3dhg h ASN 366 Cb 0.20 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3dhg h ASN 366 CO -0.20 0.30 0.00 0.29 -1.65 0.00 0.00 177.43 176.17 3dhg n LYS 367 N -4.25 0.24 0.00 0.81 4.76 -1.03 -2.88 118.16 115.81 3dhg n LYS 367 Ca -0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3dhg n LYS 367 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3dhg n LYS 367 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3dhg n ARG 368 N -1.38 0.00 0.07 1.97 1.74 -0.59 -0.90 116.66 117.57 3dhg n ARG 368 Ca 0.11 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.36 3dhg n ARG 368 Cb 0.28 0.00 0.69 0.00 -1.02 0.00 0.00 32.46 32.41 3dhg n ARG 368 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dhg h TRP 369 N 0.00 0.00 -0.76 -1.55 6.55 -1.60 -1.74 115.95 116.85 3dhg h TRP 369 Ca 0.00 0.00 0.09 0.00 0.95 0.00 0.00 58.89 59.93 3dhg h TRP 369 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.25 3dhg h TRP 369 CO 0.00 0.00 0.50 0.78 -1.05 0.00 0.00 178.44 178.67 3dhg h GLY 370 N 0.00 0.98 0.99 1.49 0.00 -1.30 -1.37 103.07 103.86 3dhg h GLY 370 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3dhg h GLY 370 CO -0.00 0.19 0.27 3.21 0.00 0.00 0.00 176.54 180.21 3dhg h ARG 371 N 0.71 0.61 -0.55 4.80 2.47 -1.17 0.59 114.38 121.84 3dhg h ARG 371 Ca 0.34 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.89 3dhg h ARG 371 Cb 0.39 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 3dhg h ARG 371 CO -0.12 0.44 -0.11 0.00 0.56 0.00 0.00 179.97 180.74 3dhg h TRP 373 N 0.92 0.00 -0.32 0.00 4.06 -0.82 -1.51 115.95 118.29 3dhg h TRP 373 Ca 0.14 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.05 3dhg h TRP 373 Cb 0.68 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 3dhg h TRP 373 CO 0.05 0.30 0.02 -0.44 -3.56 0.00 0.00 178.44 174.80 3dhg h ASP 374 N 0.00 0.54 -0.27 -3.49 3.32 -0.79 0.11 116.42 115.84 3dhg h ASP 374 Ca -0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 3dhg h ASP 374 Cb 0.58 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3dhg h ASP 374 CO 0.04 0.70 0.16 0.58 -1.72 0.00 0.00 179.24 179.00 3dhg h VAL 375 N 0.37 1.10 0.21 -1.35 2.07 -1.34 -1.28 116.25 116.04 3dhg h VAL 375 Ca 0.09 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3dhg h VAL 375 Cb 0.41 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3dhg h VAL 375 CO 0.01 0.10 -0.14 0.40 0.02 0.00 0.00 177.57 177.97 3dhg h ILE 376 N 0.34 0.71 -0.69 4.57 2.04 -1.21 -2.26 117.51 121.01 3dhg h ILE 376 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 3dhg h ILE 376 Cb 0.03 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3dhg h ILE 376 CO -0.02 0.00 0.37 0.74 0.00 0.00 0.00 178.15 179.24 3dhg h THR 377 N -0.34 0.92 -0.44 -0.27 2.02 -0.64 -1.05 112.91 113.11 3dhg h THR 377 Ca -0.02 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3dhg h THR 377 Cb 0.29 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3dhg h THR 377 CO 0.01 0.12 0.12 -0.33 0.37 0.00 0.00 175.52 175.81 3dhg h GLU 378 N 0.65 0.69 -0.58 6.66 5.08 -1.15 -0.22 114.58 125.71 3dhg h GLU 378 Ca 0.32 -0.16 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3dhg h GLU 378 Cb 0.26 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3dhg h GLU 378 CO -0.22 0.68 0.26 -0.91 -1.00 0.00 0.00 179.01 177.83 3dhg h ASN 379 N 0.57 0.33 -0.09 1.42 -0.26 -0.93 0.46 115.58 117.09 3dhg h ASN 379 Ca 0.14 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 3dhg h ASN 379 Cb 0.29 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3dhg h ASN 379 CO -0.00 0.21 0.01 0.58 -1.06 0.00 0.00 177.43 177.18 3dhg h VAL 380 N 0.49 1.22 -0.42 2.81 2.07 -0.79 0.52 116.25 122.14 3dhg h VAL 380 Ca 0.28 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3dhg h VAL 380 Cb 0.26 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3dhg h VAL 380 CO -0.23 0.19 0.10 -0.07 0.02 0.00 0.00 177.57 177.58 3dhg h LEU 381 N -0.09 0.04 -0.21 2.57 3.38 -0.90 -1.67 115.31 118.43 3dhg h LEU 381 Ca 0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dhg h LEU 381 Cb 0.29 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dhg h LEU 381 CO 0.00 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.18 3dhg n ASN 382 N -5.08 0.18 -2.47 -0.43 3.02 0.14 -4.89 115.26 105.74 3dhg n ASN 382 Ca 0.03 -1.77 -0.15 0.00 -0.03 0.00 0.00 54.58 52.66 3dhg n ASN 382 Cb 0.19 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 3dhg n ASN 382 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dhg n ASP 383 N -0.38 -4.55 -3.82 6.41 8.00 -0.63 -4.89 116.55 116.69 3dhg n ASP 383 Ca 0.00 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 3dhg n ASP 383 Cb 0.05 -3.83 0.01 0.00 -0.02 0.00 0.00 41.12 37.32 3dhg n ASP 383 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dhg n ARG 384 N -2.92 4.44 0.28 -1.24 1.74 0.11 -4.80 116.66 114.27 3dhg n ARG 384 Ca -0.17 -4.13 0.18 0.00 -0.77 0.00 0.00 57.85 52.96 3dhg n ARG 384 Cb 0.63 -2.64 0.75 0.00 -1.02 0.00 0.00 32.46 30.19 3dhg n ARG 384 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3dhg h MET 385 N 5.18 0.00 -0.34 5.56 2.86 -1.90 -2.39 114.93 123.89 3dhg h MET 385 Ca 0.39 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.06 3dhg h MET 385 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3dhg h MET 385 CO 1.41 0.01 0.23 0.38 1.06 0.00 0.00 176.91 180.01 3dhg h ASP 386 N 0.00 0.28 0.10 1.22 2.03 -1.93 -2.31 116.42 115.80 3dhg h ASP 386 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dhg h ASP 386 Cb 0.45 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 3dhg h ASP 386 CO 0.00 0.19 -0.02 0.18 -1.03 0.00 0.00 179.24 178.56 3dhg n LEU 387 N -4.49 0.49 -0.99 0.15 4.77 -0.90 -3.16 117.00 112.87 3dhg n LEU 387 Ca 0.03 -0.12 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 3dhg n LEU 387 Cb 0.18 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 3dhg n LEU 387 CO 0.35 0.08 0.70 1.33 -1.33 0.00 0.00 177.39 178.52 3dhg n VAL 388 N -0.70 1.13 -4.78 4.08 0.24 -0.87 -4.93 118.33 112.50 3dhg n VAL 388 Ca 0.20 -1.06 -0.25 0.00 -2.04 0.00 0.00 64.34 61.20 3dhg n VAL 388 Cb 0.21 0.44 -0.16 0.00 -1.47 0.00 0.00 33.84 32.86 3dhg n VAL 388 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3dhg s SER 389 N -1.03 1.98 0.71 -1.34 0.01 -1.19 -4.91 113.70 107.92 3dhg s SER 389 Ca 0.36 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 3dhg s SER 389 Cb 0.20 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 66.04 3dhg s SER 389 CO 0.23 0.17 1.09 -2.16 0.41 0.00 0.00 173.24 172.97 3dhg s PRO 390 N -0.15 2.86 -0.00 12.44 0.04 -1.26 -4.97 135.00 143.96 3dhg s PRO 390 Ca 0.01 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.60 3dhg s PRO 390 Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3dhg s PRO 390 CO 0.01 -1.05 0.77 0.39 0.04 0.00 0.00 177.00 177.15 3dhg n GLU 391 N -3.03 1.55 -4.17 4.56 1.02 -1.26 -5.07 120.64 114.24 3dhg n GLU 391 Ca 0.07 -1.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.01 3dhg n GLU 391 Cb 0.56 -0.77 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 3dhg n GLU 391 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3dhg s THR 392 N -0.54 0.00 0.10 2.62 -1.32 -1.26 -4.85 115.64 110.39 3dhg s THR 392 Ca 0.00 -1.79 0.01 0.00 -1.21 0.00 0.00 61.69 58.71 3dhg s THR 392 Cb 0.00 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 3dhg s THR 392 CO 0.00 0.00 0.24 -0.76 -2.21 0.00 0.00 174.62 171.89 3dhg s LEU 393 N -3.27 4.31 0.58 9.08 1.43 -1.26 -5.01 118.68 124.54 3dhg s LEU 393 Ca 0.35 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.49 3dhg s LEU 393 Cb 0.01 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 3dhg s LEU 393 CO 0.22 0.11 1.06 -2.16 0.23 0.00 0.00 176.35 175.81 3dhg s PRO 394 N -2.85 3.38 0.46 1.29 0.05 -1.26 -5.02 135.00 131.04 3dhg s PRO 394 Ca 0.34 1.23 -0.22 0.00 0.05 0.00 0.00 61.00 62.40 3dhg s PRO 394 Cb -0.12 -2.04 -0.08 0.00 0.05 0.00 0.00 34.50 32.31 3dhg s PRO 394 CO 0.28 -0.77 1.11 -1.12 0.05 0.00 0.00 177.00 176.55 3dhg s SER 395 N -2.68 6.30 0.02 6.66 0.01 -1.26 -4.93 113.70 117.82 3dhg s SER 395 Ca 0.64 2.16 0.06 0.00 1.31 0.00 0.00 55.95 60.12 3dhg s SER 395 Cb -0.16 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 3dhg s SER 395 CO 0.35 -0.82 -0.18 -0.69 0.41 0.00 0.00 173.24 172.31 3dhg s VAL 396 N -1.66 1.41 0.20 3.43 1.01 -1.26 -1.18 120.40 122.34 3dhg s VAL 396 Ca 0.64 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3dhg s VAL 396 Cb -0.24 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.83 3dhg s VAL 396 CO 0.30 0.24 1.46 0.00 0.00 0.00 0.00 175.10 177.09 3dhg n ASN 398 N 3.04 0.00 -0.01 0.00 3.02 0.11 -2.08 115.26 119.33 3dhg n ASN 398 Ca 0.09 -0.69 -0.02 0.00 -0.03 0.00 0.00 54.58 53.94 3dhg n ASN 398 Cb 0.40 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.51 3dhg n ASN 398 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3dhg n MET 399 N -1.06 0.10 0.24 3.52 1.56 -1.26 -4.80 117.12 115.42 3dhg n MET 399 Ca 0.19 0.04 0.15 0.00 -0.27 0.00 0.00 57.70 57.81 3dhg n MET 399 Cb 0.12 -0.59 0.50 0.00 2.15 0.00 0.00 33.22 35.40 3dhg n MET 399 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3dhg h SER 400 N -0.19 0.00 -0.77 6.12 4.64 -1.97 -3.47 113.55 117.92 3dhg h SER 400 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3dhg h SER 400 Cb 0.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.17 3dhg h SER 400 CO 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.70 3dhg n GLN 401 N -3.00 -0.97 -4.58 4.77 1.13 -0.89 -4.54 117.38 109.30 3dhg n GLN 401 Ca 0.02 0.96 -0.31 0.00 -1.94 0.00 0.00 57.00 55.73 3dhg n GLN 401 Cb 0.37 -5.06 -0.12 0.00 0.11 0.00 0.00 30.24 25.55 3dhg n GLN 401 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dhg s ILE 402 N -2.53 2.89 0.22 5.09 1.01 -1.26 -4.58 121.20 122.04 3dhg s ILE 402 Ca 0.00 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.18 3dhg s ILE 402 Cb 0.00 -2.24 -0.17 0.00 0.01 0.00 0.00 42.46 40.07 3dhg s ILE 402 CO 0.00 0.30 0.56 -2.65 0.00 0.00 0.00 174.94 173.15 3dhg n PRO 403 N 1.43 0.15 -2.27 2.79 -0.02 -1.26 -1.48 135.00 134.34 3dhg n PRO 403 Ca -0.16 0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 3dhg n PRO 403 Cb 0.52 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.88 3dhg n PRO 403 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dhg s LEU 404 N 2.77 3.68 0.33 2.45 1.43 -0.32 -4.73 118.68 124.28 3dhg s LEU 404 Ca 0.63 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 3dhg s LEU 404 Cb -0.89 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 3dhg s LEU 404 CO 0.57 -1.39 0.07 0.68 0.23 0.00 0.00 176.35 176.51 3dhg s VAL 405 N 5.44 1.05 0.00 -1.59 -7.23 -1.26 -4.86 120.40 111.94 3dhg s VAL 405 Ca 0.65 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3dhg s VAL 405 Cb -0.17 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.04 3dhg s VAL 405 CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 3dhg n GLY 406 N -0.69 2.74 3.66 2.32 0.00 -1.26 -4.59 105.19 107.37 3dhg n GLY 406 Ca -0.03 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 3dhg n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhg s VAL 407 N -2.82 5.04 0.38 1.61 1.01 -0.42 -4.79 120.40 120.41 3dhg s VAL 407 Ca 0.00 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 3dhg s VAL 407 Cb 0.00 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.54 3dhg s VAL 407 CO 0.00 0.12 0.52 -0.81 0.00 0.00 0.00 175.10 174.93 3dhg n PRO 408 N 5.03 0.22 0.00 2.72 -0.04 -1.26 -1.45 135.00 140.22 3dhg n PRO 408 Ca -0.02 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 3dhg n PRO 408 Cb 0.50 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 3dhg n PRO 408 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dhg n GLY 409 N 1.03 -0.25 0.35 0.55 0.00 -1.25 -4.13 105.19 101.48 3dhg n GLY 409 Ca 0.09 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 45.08 3dhg n GLY 409 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dhg h ASP 410 N 7.19 0.13 -0.34 1.61 3.32 -1.30 -2.35 116.42 124.68 3dhg h ASP 410 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 3dhg h ASP 410 Cb 0.00 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.43 3dhg h ASP 410 CO 0.00 0.08 -0.05 -0.67 -1.72 0.00 0.00 179.24 176.88 3dhg n ASP 411 N -4.44 2.70 -4.07 6.45 2.03 -1.26 -5.06 116.55 112.89 3dhg n ASP 411 Ca 0.07 -3.65 -0.57 0.00 0.52 0.00 0.00 54.79 51.16 3dhg n ASP 411 Cb 0.42 -0.62 -0.08 0.00 -0.72 0.00 0.00 41.12 40.11 3dhg n ASP 411 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 3dhg n TRP 412 N -1.04 1.33 -3.66 -0.67 -0.00 -0.89 -4.87 117.44 107.63 3dhg n TRP 412 Ca 0.32 0.98 -0.08 0.00 -0.00 0.00 0.00 57.50 58.72 3dhg n TRP 412 Cb 1.02 -1.91 -0.09 0.00 -0.00 0.00 0.00 31.31 30.34 3dhg n TRP 412 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3dhg s ASN 413 N 2.06 -0.58 -0.01 5.87 2.47 -0.53 -5.02 114.94 119.20 3dhg s ASN 413 Ca 0.89 1.14 0.00 0.00 0.42 0.00 0.00 52.86 55.31 3dhg s ASN 413 Cb -1.26 1.36 0.02 0.00 -1.45 0.00 0.00 41.25 39.92 3dhg s ASN 413 CO 0.67 -0.22 0.01 -0.51 -3.72 0.00 0.00 177.10 173.33 3dhg s ILE 414 N 2.19 0.01 -0.04 -5.21 2.07 -1.26 -1.30 121.20 117.66 3dhg s ILE 414 Ca -0.06 0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.28 3dhg s ILE 414 Cb -0.10 -0.09 0.03 0.00 0.13 0.00 0.00 42.46 42.43 3dhg s ILE 414 CO -0.15 0.06 0.01 -0.70 -1.91 0.00 0.00 174.94 172.25 3dhg s GLU 415 N 0.60 0.29 -0.12 3.50 2.56 -1.26 -5.06 118.70 119.21 3dhg s GLU 415 Ca -0.05 0.12 -0.04 0.00 0.00 0.00 0.00 54.97 55.00 3dhg s GLU 415 Cb -0.08 -0.54 -0.04 0.00 2.00 0.00 0.00 34.13 35.48 3dhg s GLU 415 CO -0.02 -0.18 0.03 0.08 -0.56 0.00 0.00 175.26 174.62 3dhg s VAL 416 N 1.28 4.58 -0.34 3.70 1.01 -1.26 -4.62 120.40 124.75 3dhg s VAL 416 Ca -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3dhg s VAL 416 Cb -0.13 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.32 3dhg s VAL 416 CO -0.02 0.56 0.11 -0.36 0.00 0.00 0.00 175.10 175.38 3dhg s PHE 417 N -0.47 3.28 0.38 5.22 0.08 0.07 -4.94 117.98 121.61 3dhg s PHE 417 Ca 0.09 -1.57 0.07 0.00 0.12 0.00 0.00 56.93 55.65 3dhg s PHE 417 Cb -0.12 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 3dhg s PHE 417 CO 0.02 -0.77 0.41 -1.12 -0.10 0.00 0.00 175.22 173.66 3dhg s SER 418 N 1.46 5.40 -0.29 1.36 0.01 -1.26 -0.39 113.70 119.99 3dhg s SER 418 Ca -0.01 -0.51 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 3dhg s SER 418 Cb -0.20 -0.82 0.12 0.00 0.21 0.00 0.00 66.02 65.33 3dhg s SER 418 CO 0.02 -0.55 0.67 -0.22 0.41 0.00 0.00 173.24 173.57 3dhg s LEU 419 N -4.14 -1.07 -0.23 2.44 2.96 -0.61 -4.97 118.68 113.06 3dhg s LEU 419 Ca 0.47 1.54 -0.20 0.00 -0.22 0.00 0.00 54.13 55.71 3dhg s LEU 419 Cb -0.06 2.31 -0.02 0.00 0.50 0.00 0.00 46.19 48.92 3dhg s LEU 419 CO 0.29 -0.22 0.62 -1.61 -1.32 0.00 0.00 176.35 174.11 3dhg s GLU 420 N 2.49 4.15 -0.12 1.98 0.41 -1.26 -0.64 118.70 125.72 3dhg s GLU 420 Ca -0.07 0.56 -0.04 0.00 -0.41 0.00 0.00 54.97 55.01 3dhg s GLU 420 Cb -0.10 -3.62 0.06 0.00 -1.78 0.00 0.00 34.13 28.70 3dhg s GLU 420 CO -0.19 -0.33 0.24 -1.58 -0.49 0.00 0.00 175.26 172.91 3dhg s HIS 421 N 2.21 -0.36 -1.50 1.61 5.65 -0.36 -4.87 115.29 117.68 3dhg s HIS 421 Ca 0.27 0.87 -0.03 0.00 0.25 0.00 0.00 55.06 56.42 3dhg s HIS 421 Cb -0.16 -0.08 0.03 0.00 -1.18 0.00 0.00 32.58 31.19 3dhg s HIS 421 CO 0.09 -0.32 0.35 0.09 -0.65 0.00 0.00 174.74 174.30 3dhg n ASN 422 N 5.24 -0.38 -0.00 9.88 3.02 -1.26 -1.57 115.26 130.19 3dhg n ASN 422 Ca -0.07 -1.09 -0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3dhg n ASN 422 Cb 0.50 -2.56 -0.00 0.00 -0.61 0.00 0.00 39.78 37.11 3dhg n ASN 422 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dhg n GLY 423 N -2.05 0.45 3.21 7.41 0.00 -1.26 -5.02 105.19 107.93 3dhg n GLY 423 Ca -0.25 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 3dhg n GLY 423 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dhg s ARG 424 N -0.24 1.16 -0.25 1.61 3.52 -0.61 -5.12 118.95 119.02 3dhg s ARG 424 Ca 0.00 -0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 54.58 3dhg s ARG 424 Cb 0.00 -1.25 -0.05 0.00 -1.56 0.00 0.00 34.95 32.09 3dhg s ARG 424 CO 0.00 0.31 0.19 -1.17 -0.81 0.00 0.00 175.30 173.82 3dhg s LEU 425 N -1.29 4.09 0.09 -0.88 2.96 -1.26 -1.22 118.68 121.17 3dhg s LEU 425 Ca 0.05 0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 3dhg s LEU 425 Cb -0.09 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3dhg s LEU 425 CO 0.02 0.02 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.68 3dhg s TYR 426 N 1.28 2.79 -0.04 5.38 2.02 0.19 -4.98 117.35 123.98 3dhg s TYR 426 Ca 0.09 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 3dhg s TYR 426 Cb -0.14 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 3dhg s TYR 426 CO 0.06 0.43 -0.14 -1.01 -1.57 0.00 0.00 175.55 173.32 3dhg s HIS 427 N -1.22 1.47 0.07 2.71 3.76 -1.26 -1.58 115.29 119.25 3dhg s HIS 427 Ca 0.22 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.78 3dhg s HIS 427 Cb -0.11 -1.02 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 3dhg s HIS 427 CO 0.14 -0.17 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.55 3dhg s PHE 428 N 0.20 2.13 -1.94 1.40 0.08 0.48 0.06 117.98 120.38 3dhg s PHE 428 Ca -0.06 -0.40 0.32 0.00 0.12 0.00 0.00 56.93 56.91 3dhg s PHE 428 Cb -0.12 -1.24 1.83 0.00 -0.57 0.00 0.00 43.02 42.92 3dhg s PHE 428 CO 0.02 0.16 2.19 0.41 -0.10 0.00 0.00 175.22 177.91 3dhg n GLY 429 N 1.57 -1.01 3.57 4.36 0.00 -1.26 -0.75 105.19 111.68 3dhg n GLY 429 Ca -0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3dhg n GLY 429 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dhg s SER 430 N -2.07 -0.39 0.39 1.61 1.04 -1.26 -4.87 113.70 108.14 3dhg s SER 430 Ca 0.45 -0.16 0.12 0.00 0.48 0.00 0.00 55.95 56.83 3dhg s SER 430 Cb 0.22 0.54 0.80 0.00 0.10 0.00 0.00 66.02 67.67 3dhg s SER 430 CO 0.38 -0.92 1.89 -0.08 0.98 0.00 0.00 173.24 175.49 3dhg h GLU 431 N 2.00 0.09 -0.28 4.02 4.81 -1.93 -2.79 114.58 120.50 3dhg h GLU 431 Ca -0.26 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 3dhg h GLU 431 Cb 1.27 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3dhg h GLU 431 CO 0.31 0.34 -0.45 0.28 -0.73 0.00 0.00 179.01 178.76 3dhg h VAL 432 N 0.08 1.29 -0.74 0.32 2.07 -1.99 -0.56 116.25 116.73 3dhg h VAL 432 Ca 0.01 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 65.90 3dhg h VAL 432 Cb 0.49 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3dhg h VAL 432 CO 0.03 0.53 0.49 0.44 0.02 0.00 0.00 177.57 179.08 3dhg h ASP 433 N 0.56 0.84 -0.39 0.57 3.32 -1.92 0.23 116.42 119.62 3dhg h ASP 433 Ca 0.02 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3dhg h ASP 433 Cb 1.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3dhg h ASP 433 CO 0.10 0.60 0.12 -0.09 -1.72 0.00 0.00 179.24 178.26 3dhg h ARG 434 N 0.99 0.60 -0.57 3.56 2.43 -1.39 -2.09 114.38 117.92 3dhg h ARG 434 Ca 0.27 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 3dhg h ARG 434 Cb -0.10 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.30 3dhg h ARG 434 CO -0.06 0.61 0.26 2.35 -1.51 0.00 0.00 179.97 181.61 3dhg h TRP 435 N 0.48 0.47 -0.60 2.20 7.01 -0.47 -2.33 115.95 122.71 3dhg h TRP 435 Ca 0.13 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3dhg h TRP 435 Cb 0.26 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.14 3dhg h TRP 435 CO 0.01 0.19 0.33 0.28 -2.79 0.00 0.00 178.44 176.46 3dhg h VAL 436 N 0.49 0.99 -0.25 2.65 2.07 -0.20 -0.47 116.25 121.52 3dhg h VAL 436 Ca 0.27 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3dhg h VAL 436 Cb 0.24 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 3dhg h VAL 436 CO -0.22 0.12 -0.11 0.15 0.02 0.00 0.00 177.57 177.52 3dhg h PHE 437 N 0.63 -0.27 0.00 1.57 3.57 -1.04 -2.27 116.94 119.13 3dhg h PHE 437 Ca 0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3dhg h PHE 437 Cb 0.13 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3dhg h PHE 437 CO -0.08 -0.18 0.00 1.96 -2.23 0.00 0.00 178.31 177.78 3dhg h GLN 438 N -0.08 0.00 0.00 1.11 4.20 -1.00 -1.78 115.11 117.56 3dhg h GLN 438 Ca 0.13 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3dhg h GLN 438 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3dhg h GLN 438 CO -0.30 0.00 -0.18 1.96 -0.67 0.00 0.00 178.83 179.64 3dhg h GLN 439 N 0.00 0.00 -0.19 1.46 1.08 -0.48 -3.38 115.11 113.61 3dhg h GLN 439 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 3dhg h GLN 439 Cb 0.61 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.87 3dhg h GLN 439 CO 0.00 0.18 -0.54 -3.47 -0.95 0.00 0.00 178.83 174.05 3dhg n ASP 440 N -3.56 -2.44 0.14 1.46 2.03 -0.94 -5.04 116.55 108.20 3dhg n ASP 440 Ca -0.01 -3.38 0.05 0.00 0.52 0.00 0.00 54.79 51.97 3dhg n ASP 440 Cb 0.32 1.64 0.48 0.00 -0.72 0.00 0.00 41.12 42.84 3dhg n ASP 440 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3dhg h PRO 441 N 3.68 0.22 -0.24 -0.67 0.13 -1.53 -2.08 132.00 131.52 3dhg h PRO 441 Ca -0.11 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3dhg h PRO 441 Cb 1.04 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3dhg h PRO 441 CO 0.29 0.25 0.21 -0.24 -0.23 0.00 0.00 178.00 178.28 3dhg h VAL 442 N 0.22 0.64 0.00 1.56 3.04 -1.96 -0.55 116.25 119.20 3dhg h VAL 442 Ca 0.05 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.64 3dhg h VAL 442 Cb 0.15 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 3dhg h VAL 442 CO 0.00 0.00 -0.51 -0.61 -1.01 0.00 0.00 177.57 175.44 3dhg h GLN 443 N 0.00 0.00 0.00 4.17 5.75 -1.74 -3.40 115.11 119.89 3dhg h GLN 443 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3dhg h GLN 443 Cb 0.54 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 3dhg h GLN 443 CO -0.00 0.51 -0.69 0.66 -2.65 0.00 0.00 178.83 176.65 3dhg n TYR 444 N -3.90 0.00 0.11 3.99 4.02 -0.36 -4.93 117.16 116.09 3dhg n TYR 444 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.86 3dhg n TYR 444 Cb 0.53 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 40.08 3dhg n TYR 444 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3dhg h GLN 445 N 0.00 0.19 -0.47 -0.72 3.07 -1.38 -2.48 115.11 113.31 3dhg h GLN 445 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.65 3dhg h GLN 445 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3dhg h GLN 445 CO 0.00 0.59 0.00 0.09 0.09 0.00 0.00 178.83 179.60 3dhg n ASN 446 N -4.02 3.73 -4.77 0.06 3.02 -1.26 -4.94 115.26 107.08 3dhg n ASN 446 Ca -0.02 -2.28 -0.41 0.00 -0.03 0.00 0.00 54.58 51.85 3dhg n ASN 446 Cb 0.48 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 3dhg n ASN 446 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3dhg s HIS 447 N -1.51 3.13 -0.18 3.10 5.65 -0.94 -5.01 115.29 119.53 3dhg s HIS 447 Ca 0.38 1.47 -0.01 0.00 0.25 0.00 0.00 55.06 57.14 3dhg s HIS 447 Cb 0.23 -3.61 -0.00 0.00 -1.18 0.00 0.00 32.58 28.02 3dhg s HIS 447 CO 0.20 -1.63 -0.11 -1.64 -0.65 0.00 0.00 174.74 170.90 3dhg s MET 448 N -1.75 3.26 1.02 2.88 -1.94 -1.26 -5.11 119.30 116.40 3dhg s MET 448 Ca 0.48 -0.70 -0.17 0.00 -1.71 0.00 0.00 55.69 53.59 3dhg s MET 448 Cb -0.38 -2.78 0.23 0.00 2.01 0.00 0.00 34.83 33.91 3dhg s MET 448 CO 0.51 -0.09 1.31 0.54 -0.01 0.00 0.00 175.02 177.28 3dhg s ASN 449 N 1.12 2.62 0.28 3.03 2.20 -1.26 -4.73 114.94 118.20 3dhg s ASN 449 Ca 0.01 0.25 0.08 0.00 -0.94 0.00 0.00 52.86 52.26 3dhg s ASN 449 Cb -0.14 -0.26 0.39 0.00 -2.00 0.00 0.00 41.25 39.23 3dhg s ASN 449 CO -0.03 -3.04 1.64 -0.29 -2.94 0.00 0.00 177.10 172.44 3dhg h ILE 450 N -1.85 1.38 -0.12 0.54 2.10 -1.95 -1.27 117.51 116.33 3dhg h ILE 450 Ca -0.44 -1.85 -0.19 0.00 1.08 0.00 0.00 64.86 63.47 3dhg h ILE 450 Cb 1.23 1.95 0.01 0.00 -1.09 0.00 0.00 36.82 38.92 3dhg h ILE 450 CO 0.34 0.54 -0.66 0.58 -1.08 0.00 0.00 178.15 177.87 3dhg h VAL 451 N 0.10 1.32 -0.80 2.19 2.07 -1.91 -1.14 116.25 118.07 3dhg h VAL 451 Ca -0.00 -1.92 0.12 0.00 0.82 0.00 0.00 66.70 65.72 3dhg h VAL 451 Cb 0.99 2.11 -0.08 0.00 -1.52 0.00 0.00 31.29 32.78 3dhg h VAL 451 CO 0.08 0.59 0.41 0.44 0.02 0.00 0.00 177.57 179.11 3dhg h ASP 452 N 0.33 0.52 -0.45 0.57 3.32 -1.82 0.15 116.42 119.04 3dhg h ASP 452 Ca -0.05 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3dhg h ASP 452 Cb 1.30 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 3dhg h ASP 452 CO 0.14 0.26 0.09 0.03 -1.72 0.00 0.00 179.24 178.04 3dhg h ARG 453 N 0.64 0.73 -0.57 3.56 3.08 -1.10 -1.46 114.38 119.26 3dhg h ARG 453 Ca 0.41 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.33 3dhg h ARG 453 Cb 0.51 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3dhg h ARG 453 CO -0.32 0.74 0.30 0.35 -1.07 0.00 0.00 179.97 179.97 3dhg h PHE 454 N 0.60 0.55 -0.00 3.04 3.57 -0.57 -1.99 116.94 122.13 3dhg h PHE 454 Ca 0.14 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3dhg h PHE 454 Cb 0.35 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3dhg h PHE 454 CO 0.02 0.27 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.71 3dhg h LEU 455 N 0.57 0.01 -0.08 0.59 3.38 -0.84 -3.03 115.31 115.92 3dhg h LEU 455 Ca 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3dhg h LEU 455 Cb 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dhg h LEU 455 CO -0.17 0.59 -0.06 0.00 0.09 0.00 0.00 178.44 178.90 3dhg n ALA 456 N -2.43 2.61 -0.07 1.53 0.00 -0.56 -4.92 120.51 116.67 3dhg n ALA 456 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3dhg n ALA 456 Cb 0.59 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3dhg n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhg n GLY 457 N 1.31 0.72 0.11 0.00 0.00 -0.95 -4.95 105.19 101.42 3dhg n GLY 457 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3dhg n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhg n GLN 458 N -2.03 0.23 -3.97 1.61 6.02 -0.80 -4.62 117.38 113.83 3dhg n GLN 458 Ca 0.00 0.25 -0.34 0.00 -0.01 0.00 0.00 57.00 56.90 3dhg n GLN 458 Cb 0.00 -1.80 -0.14 0.00 1.02 0.00 0.00 30.24 29.31 3dhg n GLN 458 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dhg s ILE 459 N -3.14 2.72 -0.05 5.09 1.01 -1.26 -4.99 121.20 120.57 3dhg s ILE 459 Ca 0.09 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.36 3dhg s ILE 459 Cb 0.12 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3dhg s ILE 459 CO 0.54 -0.04 -0.15 -1.10 0.00 0.00 0.00 174.94 174.19 3dhg s GLN 460 N 1.22 1.81 0.92 2.79 -1.52 -1.26 -2.81 119.66 120.79 3dhg s GLN 460 Ca -0.06 -0.54 -0.11 0.00 -1.95 0.00 0.00 55.36 52.70 3dhg s GLN 460 Cb -0.19 -1.52 0.15 0.00 -0.22 0.00 0.00 33.01 31.22 3dhg s GLN 460 CO -0.03 0.16 1.10 -2.14 -0.25 0.00 0.00 175.29 174.13 3dhg s PRO 461 N 0.28 1.02 -1.52 2.91 0.02 -1.26 -4.79 135.00 131.67 3dhg s PRO 461 Ca -0.09 1.18 -0.09 0.00 0.02 0.00 0.00 61.00 62.03 3dhg s PRO 461 Cb -0.13 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 3dhg s PRO 461 CO 0.03 -2.51 2.72 -0.12 -0.33 0.00 0.00 177.00 176.79 3dhg n MET 462 N -4.11 3.89 -4.25 5.54 1.56 -1.13 -4.04 117.12 114.59 3dhg n MET 462 Ca 0.09 -2.62 -0.14 0.00 -0.27 0.00 0.00 57.70 54.76 3dhg n MET 462 Cb 0.53 -2.79 -0.10 0.00 2.15 0.00 0.00 33.22 33.01 3dhg n MET 462 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3dhg s THR 463 N 1.27 0.59 0.26 1.12 -4.23 -1.26 -5.03 115.64 108.35 3dhg s THR 463 Ca 0.63 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 3dhg s THR 463 Cb 0.18 -2.23 0.23 0.00 1.34 0.00 0.00 72.50 72.02 3dhg s THR 463 CO -0.07 -0.36 1.78 -0.07 -0.54 0.00 0.00 174.62 175.35 3dhg h LEU 464 N 2.64 0.57 -0.82 4.79 3.38 -1.89 0.72 115.31 124.71 3dhg h LEU 464 Ca -0.37 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3dhg h LEU 464 Cb 1.21 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 3dhg h LEU 464 CO 0.62 0.27 0.54 -0.08 0.09 0.00 0.00 178.44 179.87 3dhg h GLU 465 N 0.67 1.08 -0.64 1.13 4.81 -1.97 0.62 114.58 120.29 3dhg h GLU 465 Ca 0.45 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3dhg h GLU 465 Cb 0.57 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3dhg h GLU 465 CO -0.33 0.72 0.32 0.78 -0.73 0.00 0.00 179.01 179.77 3dhg h GLY 466 N 1.11 0.98 1.01 1.92 0.00 -1.54 -1.70 103.07 104.85 3dhg h GLY 466 Ca 0.30 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3dhg h GLY 466 CO -0.06 0.45 0.41 0.00 0.00 0.00 0.00 176.54 177.34 3dhg h ALA 467 N 1.14 0.93 -0.83 3.60 0.00 -0.13 -1.31 119.26 122.67 3dhg h ALA 467 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dhg h ALA 467 Cb 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3dhg h ALA 467 CO -0.03 0.43 0.43 -0.07 0.00 0.00 0.00 179.25 180.01 3dhg h LEU 468 N 1.00 1.06 -0.65 0.00 3.38 -0.50 0.22 115.31 119.82 3dhg h LEU 468 Ca 0.26 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3dhg h LEU 468 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3dhg h LEU 468 CO -0.04 0.88 0.14 0.50 0.09 0.00 0.00 178.44 180.01 3dhg h LYS 469 N 1.17 1.05 -0.65 1.13 3.64 -1.09 -2.89 116.57 118.93 3dhg h LYS 469 Ca 0.29 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3dhg h LYS 469 Cb 0.07 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3dhg h LYS 469 CO -0.04 0.95 0.28 -0.92 -2.27 0.00 0.00 179.45 177.45 3dhg h TYR 470 N 0.97 0.94 0.00 1.91 3.20 -0.60 -2.37 116.97 121.02 3dhg h TYR 470 Ca 0.20 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3dhg h TYR 470 Cb 0.39 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3dhg h TYR 470 CO 0.03 0.70 0.00 -1.33 -1.64 0.00 0.00 178.16 175.92 3dhg n MET 471 N -4.32 0.11 0.00 1.82 2.81 0.01 -4.29 117.12 113.25 3dhg n MET 471 Ca 0.06 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3dhg n MET 471 Cb 0.15 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 3dhg n MET 471 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dhg n GLY 472 N 0.25 1.00 3.74 3.03 0.00 -0.89 -2.95 105.19 109.36 3dhg n GLY 472 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3dhg n GLY 472 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dhg s PHE 473 N -2.00 3.15 -0.65 1.61 0.40 -1.19 -4.94 117.98 114.37 3dhg s PHE 473 Ca 0.00 1.10 0.06 0.00 -0.60 0.00 0.00 56.93 57.49 3dhg s PHE 473 Cb 0.00 -3.71 0.03 0.00 0.51 0.00 0.00 43.02 39.84 3dhg s PHE 473 CO 0.00 -2.30 0.59 1.04 0.70 0.00 0.00 175.22 175.25 3dhg n GLN 474 N 2.64 0.95 -3.64 0.44 6.02 -1.26 -4.75 117.38 117.79 3dhg n GLN 474 Ca 0.07 -0.68 -0.07 0.00 -0.01 0.00 0.00 57.00 56.31 3dhg n GLN 474 Cb 0.41 -1.04 -0.02 0.00 1.02 0.00 0.00 30.24 30.62 3dhg n GLN 474 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3dhg s SER 475 N -0.71 -0.33 0.22 1.08 1.04 -1.26 -5.04 113.70 108.69 3dhg s SER 475 Ca 0.06 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 3dhg s SER 475 Cb 0.05 0.54 0.17 0.00 0.10 0.00 0.00 66.02 66.88 3dhg s SER 475 CO 0.10 -0.95 1.79 0.40 0.98 0.00 0.00 173.24 175.56 3dhg h ILE 476 N 2.00 1.26 0.00 -1.02 2.04 -1.97 -2.66 117.51 117.16 3dhg h ILE 476 Ca -0.25 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3dhg h ILE 476 Cb 1.26 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3dhg h ILE 476 CO 0.29 0.34 -0.02 -0.33 0.00 0.00 0.00 178.15 178.42 3dhg h GLU 477 N 1.16 0.00 0.00 2.37 3.07 -2.02 -2.77 114.58 116.39 3dhg h GLU 477 Ca 0.27 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 3dhg h GLU 477 Cb 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3dhg h GLU 477 CO -0.02 0.02 -0.44 0.93 -1.40 0.00 0.00 179.01 178.10 3dhg h GLU 478 N 0.00 0.00 -6.89 2.33 5.08 -1.84 -3.45 114.58 109.81 3dhg h GLU 478 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3dhg h GLU 478 Cb 0.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.32 3dhg h GLU 478 CO 0.00 0.44 0.47 -1.64 -1.00 0.00 0.00 179.01 177.29 3dhg s MET 479 N -3.89 4.33 0.51 2.33 -1.94 -1.05 -4.54 119.30 115.05 3dhg s MET 479 Ca -0.02 1.74 -0.22 0.00 -1.71 0.00 0.00 55.69 55.48 3dhg s MET 479 Cb 0.13 -2.85 -0.06 0.00 2.01 0.00 0.00 34.83 34.06 3dhg s MET 479 CO 0.72 -0.05 1.27 0.20 -0.01 0.00 0.00 175.02 177.15 3dhg s GLY 480 N -1.14 2.83 0.37 -0.03 0.00 -0.05 -4.92 107.32 104.38 3dhg s GLY 480 Ca 0.52 1.14 0.05 0.00 0.00 0.00 0.00 44.72 46.43 3dhg s GLY 480 CO 0.37 1.63 0.18 -1.59 0.00 0.00 0.00 173.10 173.68 3dhg s LYS 481 N -2.84 1.82 0.18 2.90 -2.85 -1.26 -3.20 119.74 114.48 3dhg s LYS 481 Ca 0.68 -2.09 -0.31 0.00 -1.00 0.00 0.00 55.97 53.26 3dhg s LYS 481 Cb -0.35 -0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.08 3dhg s LYS 481 CO 0.41 -0.53 1.49 0.34 0.10 0.00 0.00 175.35 177.17 3dhg s ASP 482 N -3.50 6.65 0.29 0.03 2.15 -1.26 -3.09 116.67 117.95 3dhg s ASP 482 Ca 0.31 2.57 -0.01 0.00 0.43 0.00 0.00 52.55 55.85 3dhg s ASP 482 Cb 0.03 -2.60 0.48 0.00 -0.30 0.00 0.00 42.92 40.52 3dhg s ASP 482 CO 0.19 -0.75 1.92 0.00 -0.17 0.00 0.00 175.17 176.36 3dhg h ALA 483 N 6.29 1.46 -0.60 3.66 0.00 -1.33 -1.97 119.26 126.77 3dhg h ALA 483 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dhg h ALA 483 Cb 1.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dhg h ALA 483 CO 0.86 0.43 0.00 0.72 0.00 0.00 0.00 179.25 181.26 3dhg n HIS 484 N -4.46 1.86 -4.27 0.00 8.25 -1.26 -4.86 115.22 110.48 3dhg n HIS 484 Ca 0.13 -0.69 -0.37 0.00 -0.26 0.00 0.00 57.72 56.53 3dhg n HIS 484 Cb 0.15 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 3dhg n HIS 484 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3dhg n ASP 485 N 0.77 -2.81 -1.09 0.41 8.00 -0.74 -1.54 116.55 119.56 3dhg n ASP 485 Ca 0.27 -1.06 -0.14 0.00 0.71 0.00 0.00 54.79 54.57 3dhg n ASP 485 Cb 1.09 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.12 39.58 3dhg n ASP 485 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dhg n PHE 486 N -4.34 0.00 0.26 1.24 3.72 -1.26 -4.89 117.46 112.19 3dhg n PHE 486 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.58 3dhg n PHE 486 Cb 0.50 -2.53 0.71 0.00 -0.94 0.00 0.00 39.48 37.22 3dhg n PHE 486 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dhg h ALA 487 N 0.00 1.20 -0.01 4.37 0.00 -1.70 -2.22 119.26 120.91 3dhg h ALA 487 Ca -0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dhg h ALA 487 Cb 0.93 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dhg h ALA 487 CO 0.43 0.15 0.01 0.11 0.00 0.00 0.00 179.25 179.95 3dhg h TRP 488 N 0.00 0.00 0.00 0.00 5.08 -1.90 -1.39 115.95 117.74 3dhg h TRP 488 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 3dhg h TRP 488 Cb 0.39 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.54 3dhg h TRP 488 CO 0.00 0.00 -0.36 0.00 -1.28 0.00 0.00 178.44 176.80 3dhg h ALA 489 N 1.98 1.15 -0.16 0.11 0.00 -1.78 -2.88 119.26 117.68 3dhg h ALA 489 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dhg h ALA 489 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dhg h ALA 489 CO -0.00 0.46 0.11 -0.44 0.00 0.00 0.00 179.25 179.37 3dhg h ASP 490 N 0.00 0.19 0.86 0.00 3.32 -1.41 0.46 116.42 119.84 3dhg h ASP 490 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dhg h ASP 490 Cb 0.77 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3dhg h ASP 490 CO 0.05 0.14 -0.03 0.29 -1.72 0.00 0.00 179.24 177.96 3dhg n LYS 491 N -4.51 0.11 -3.25 3.56 5.02 -1.09 -4.86 118.16 113.13 3dhg n LYS 491 Ca -0.01 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 3dhg n LYS 491 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3dhg n LYS 491 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88