#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx5 s TYR 3 N 0.00 3.09 0.19 2.13 2.02 -1.26 -1.25 117.35 122.27 3dx5 s TYR 3 Ca 0.00 0.10 0.09 0.00 -0.37 0.00 0.00 57.07 56.88 3dx5 s TYR 3 Cb 0.00 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3dx5 s TYR 3 CO 0.00 0.46 -0.18 -1.54 -1.57 0.00 0.00 175.55 172.72 3dx5 s SER 4 N -1.44 2.79 -0.09 2.29 1.04 -0.24 -1.05 113.70 117.00 3dx5 s SER 4 Ca 0.18 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.65 3dx5 s SER 4 Cb -0.11 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3dx5 s SER 4 CO 0.09 -0.05 0.10 -0.22 0.98 0.00 0.00 173.24 174.14 3dx5 s LEU 5 N -2.93 4.14 -0.20 2.42 0.20 -0.81 -1.49 118.68 120.01 3dx5 s LEU 5 Ca 0.19 0.34 -0.09 0.00 0.69 0.00 0.00 54.13 55.26 3dx5 s LEU 5 Cb -0.04 -2.09 -0.05 0.00 -0.43 0.00 0.00 46.19 43.58 3dx5 s LEU 5 CO 0.08 0.37 0.12 0.00 -0.29 0.00 0.00 176.35 176.62 3dx5 h THR 7 N 4.82 0.18 -0.19 0.00 1.35 -1.62 -1.84 112.91 115.60 3dx5 h THR 7 Ca -0.39 -0.33 0.06 0.00 -0.55 0.00 0.00 66.41 65.20 3dx5 h THR 7 Cb 1.16 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 3dx5 h THR 7 CO 0.72 0.04 0.20 -0.29 -0.25 0.00 0.00 175.52 175.94 3dx5 h ILE 8 N 0.00 0.50 0.00 6.82 2.10 -1.94 -0.69 117.51 124.30 3dx5 h ILE 8 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3dx5 h ILE 8 Cb 0.27 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 3dx5 h ILE 8 CO 0.00 0.00 0.00 0.28 -1.08 0.00 0.00 178.15 177.35 3dx5 h SER 9 N 0.00 0.00 -0.42 2.19 0.02 -1.50 -2.29 113.55 111.56 3dx5 h SER 9 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3dx5 h SER 9 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3dx5 h SER 9 CO -0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 3dx5 n PHE 10 N -3.01 1.08 0.32 3.45 3.72 -0.27 -4.69 117.46 118.06 3dx5 n PHE 10 Ca -0.02 -0.70 0.21 0.00 -0.05 0.00 0.00 57.45 56.89 3dx5 n PHE 10 Cb 0.10 -0.24 1.04 0.00 -0.94 0.00 0.00 39.48 39.44 3dx5 n PHE 10 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3dx5 h ARG 11 N 2.68 0.00 -0.39 -1.08 0.11 -1.49 -2.59 114.38 111.61 3dx5 h ARG 11 Ca 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 3dx5 h ARG 11 Cb 1.32 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.31 3dx5 h ARG 11 CO 0.20 0.00 0.02 0.72 0.10 0.00 0.00 179.97 181.00 3dx5 n HIS 12 N -3.09 1.24 -3.92 4.08 8.25 -1.26 -5.00 115.22 115.53 3dx5 n HIS 12 Ca -0.02 -1.38 -0.09 0.00 -0.26 0.00 0.00 57.72 55.97 3dx5 n HIS 12 Cb 0.15 -0.48 -0.09 0.00 1.12 0.00 0.00 29.99 30.69 3dx5 n HIS 12 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3dx5 s GLN 13 N -3.11 0.62 -0.38 -0.41 -2.07 -0.98 -5.11 119.66 108.21 3dx5 s GLN 13 Ca 0.45 -0.78 -0.25 0.00 -1.82 0.00 0.00 55.36 52.95 3dx5 s GLN 13 Cb 0.39 0.24 0.02 0.00 -1.09 0.00 0.00 33.01 32.57 3dx5 s GLN 13 CO 0.04 -0.16 0.91 -0.51 -1.32 0.00 0.00 175.29 174.25 3dx5 s LEU 14 N -2.22 4.01 -0.10 2.60 1.43 -1.26 -5.01 118.68 118.13 3dx5 s LEU 14 Ca -0.03 0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 3dx5 s LEU 14 Cb -0.00 -3.22 0.04 0.00 0.03 0.00 0.00 46.19 43.04 3dx5 s LEU 14 CO -0.05 -0.86 0.48 -0.51 0.23 0.00 0.00 176.35 175.63 3dx5 s ILE 15 N 3.46 0.02 0.46 -0.59 2.07 -1.26 -5.17 121.20 120.19 3dx5 s ILE 15 Ca 0.37 -0.16 -0.07 0.00 -1.41 0.00 0.00 60.65 59.38 3dx5 s ILE 15 Cb -0.12 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 3dx5 s ILE 15 CO 0.19 -0.09 0.79 -0.94 -1.91 0.00 0.00 174.94 172.99 3dx5 s SER 16 N -0.59 6.35 0.26 4.50 1.04 -1.26 -4.96 113.70 119.04 3dx5 s SER 16 Ca -0.07 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 3dx5 s SER 16 Cb -0.03 -2.29 0.37 0.00 0.10 0.00 0.00 66.02 64.17 3dx5 s SER 16 CO 0.04 -0.53 1.88 0.15 0.98 0.00 0.00 173.24 175.76 3dx5 h PHE 17 N 0.55 1.16 -0.63 5.02 3.57 -2.02 -1.87 116.94 122.73 3dx5 h PHE 17 Ca -0.47 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.13 3dx5 h PHE 17 Cb 1.20 -0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3dx5 h PHE 17 CO 0.60 0.62 0.32 1.15 -2.23 0.00 0.00 178.31 178.77 3dx5 h THR 18 N 1.16 0.92 -0.17 4.41 2.02 -1.96 0.10 112.91 119.38 3dx5 h THR 18 Ca 0.41 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 3dx5 h THR 18 Cb 0.12 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3dx5 h THR 18 CO -0.16 0.11 -0.50 0.44 0.37 0.00 0.00 175.52 175.78 3dx5 h ASP 19 N 0.59 0.51 -0.42 4.18 3.32 -1.84 -1.57 116.42 121.19 3dx5 h ASP 19 Ca 0.29 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3dx5 h ASP 19 Cb 0.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3dx5 h ASP 19 CO -0.21 0.92 0.24 0.40 -1.72 0.00 0.00 179.24 178.87 3dx5 h ILE 20 N 0.37 1.15 -0.44 0.35 2.04 -0.82 -0.39 117.51 119.76 3dx5 h ILE 20 Ca 0.02 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3dx5 h ILE 20 Cb 1.01 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3dx5 h ILE 20 CO 0.09 0.15 0.25 0.58 0.00 0.00 0.00 178.15 179.22 3dx5 h VAL 21 N 0.55 1.15 -0.40 1.67 2.07 -0.83 0.13 116.25 120.59 3dx5 h VAL 21 Ca 0.15 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3dx5 h VAL 21 Cb 0.03 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3dx5 h VAL 21 CO -0.03 0.15 0.17 -0.61 0.02 0.00 0.00 177.57 177.28 3dx5 h GLN 22 N 0.58 0.59 -0.61 1.57 5.75 -1.19 -0.83 115.11 120.97 3dx5 h GLN 22 Ca 0.16 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3dx5 h GLN 22 Cb 0.03 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 3dx5 h GLN 22 CO -0.03 0.54 0.37 0.35 -2.65 0.00 0.00 178.83 177.42 3dx5 h PHE 23 N 0.50 0.70 -0.69 3.99 3.57 -0.77 -1.05 116.94 123.19 3dx5 h PHE 23 Ca 0.13 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3dx5 h PHE 23 Cb 0.17 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3dx5 h PHE 23 CO -0.00 0.40 0.44 0.00 -2.23 0.00 0.00 178.31 176.92 3dx5 h ALA 24 N 1.26 0.89 -0.14 2.41 0.00 -0.35 -2.63 119.26 120.69 3dx5 h ALA 24 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dx5 h ALA 24 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3dx5 h ALA 24 CO -0.10 0.24 -0.04 -0.92 0.00 0.00 0.00 179.25 178.43 3dx5 h TYR 25 N 0.88 0.31 0.00 0.00 3.20 -0.77 -2.34 116.97 118.25 3dx5 h TYR 25 Ca 0.27 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dx5 h TYR 25 Cb -0.04 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3dx5 h TYR 25 CO -0.04 0.58 0.00 1.05 -1.64 0.00 0.00 178.16 178.11 3dx5 h GLU 26 N -0.04 0.00 -0.57 1.82 4.11 -1.13 -2.70 114.58 116.07 3dx5 h GLU 26 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3dx5 h GLU 26 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3dx5 h GLU 26 CO 0.02 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.19 3dx5 n ASN 27 N -2.75 3.61 0.00 3.06 3.02 -1.00 -4.98 115.26 116.22 3dx5 n ASN 27 Ca 0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3dx5 n ASN 27 Cb 0.31 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3dx5 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dx5 n GLY 28 N 1.57 0.53 3.76 7.41 0.00 -1.02 -4.90 105.19 112.55 3dx5 n GLY 28 Ca 0.22 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3dx5 n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dx5 s PHE 29 N -2.00 2.45 -1.04 1.61 0.08 -0.90 -4.83 117.98 113.36 3dx5 s PHE 29 Ca 0.00 1.50 0.09 0.00 0.12 0.00 0.00 56.93 58.64 3dx5 s PHE 29 Cb 0.00 -3.51 0.12 0.00 -0.57 0.00 0.00 43.02 39.06 3dx5 s PHE 29 CO 0.00 -2.20 0.89 0.39 -0.10 0.00 0.00 175.22 174.21 3dx5 n GLU 30 N -1.33 0.93 -3.69 0.44 1.02 -0.22 -4.67 120.64 113.12 3dx5 n GLU 30 Ca 0.12 -1.27 -0.10 0.00 -0.02 0.00 0.00 57.16 55.89 3dx5 n GLU 30 Cb 0.49 -1.19 -0.05 0.00 -0.02 0.00 0.00 31.44 30.67 3dx5 n GLU 30 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dx5 s GLY 31 N -0.82 -0.19 -0.09 0.62 0.00 -1.11 -2.86 107.32 102.88 3dx5 s GLY 31 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.73 3dx5 s GLY 31 CO 0.12 -0.38 -0.15 -0.42 0.00 0.00 0.00 173.10 172.26 3dx5 s ILE 32 N -3.66 1.41 -0.37 0.90 1.01 0.12 -1.93 121.20 118.69 3dx5 s ILE 32 Ca 0.02 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3dx5 s ILE 32 Cb 0.02 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 3dx5 s ILE 32 CO -0.11 0.42 0.34 -0.70 0.00 0.00 0.00 174.94 174.90 3dx5 s GLU 33 N 0.74 3.38 -0.24 2.79 2.12 0.62 -0.51 118.70 127.60 3dx5 s GLU 33 Ca -0.12 -0.61 -0.14 0.00 0.36 0.00 0.00 54.97 54.46 3dx5 s GLU 33 Cb -0.16 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 3dx5 s GLU 33 CO 0.03 -0.60 0.34 -1.17 -0.54 0.00 0.00 175.26 173.32 3dx5 s LEU 34 N 1.94 4.09 0.32 2.70 2.96 -1.26 -1.43 118.68 127.99 3dx5 s LEU 34 Ca 0.10 0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 3dx5 s LEU 34 Cb -0.17 -2.39 -0.11 0.00 0.50 0.00 0.00 46.19 44.02 3dx5 s LEU 34 CO 0.12 -0.10 1.45 0.86 -1.32 0.00 0.00 176.35 177.36 3dx5 s TRP 35 N 1.63 2.84 0.26 5.38 -0.00 -1.26 -1.32 118.94 126.47 3dx5 s TRP 35 Ca 0.15 1.11 -0.03 0.00 -0.00 0.00 0.00 56.10 57.33 3dx5 s TRP 35 Cb -0.15 -3.90 0.40 0.00 -0.00 0.00 0.00 33.47 29.82 3dx5 s TRP 35 CO 0.08 -2.77 1.86 0.78 -0.00 0.00 0.00 176.95 176.91 3dx5 h GLY 36 N 4.00 1.47 1.60 5.86 0.00 0.08 -1.16 103.07 114.93 3dx5 h GLY 36 Ca -0.48 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.32 3dx5 h GLY 36 CO 0.71 0.28 -0.22 0.00 0.00 0.00 0.00 176.54 177.32 3dx5 h THR 37 N 1.08 1.25 -0.18 4.70 1.03 -1.91 -0.77 112.91 118.11 3dx5 h THR 37 Ca 0.42 -1.19 -0.02 0.00 -0.01 0.00 0.00 66.41 65.62 3dx5 h THR 37 Cb 0.22 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 3dx5 h THR 37 CO -0.19 0.38 0.05 0.45 -0.01 0.00 0.00 175.52 176.20 3dx5 h HIS 38 N 0.42 0.30 -0.30 0.00 3.86 -1.68 -1.31 115.15 116.44 3dx5 h HIS 38 Ca 0.07 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.31 3dx5 h HIS 38 Cb 0.61 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 3dx5 h HIS 38 CO 0.02 0.40 -0.13 0.00 0.86 0.00 0.00 177.93 179.08 3dx5 h ALA 39 N 0.87 0.12 -0.36 2.45 0.00 -0.96 -0.91 119.26 120.47 3dx5 h ALA 39 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dx5 h ALA 39 Cb 0.25 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3dx5 h ALA 39 CO -0.00 -0.52 0.15 0.37 0.00 0.00 0.00 179.25 179.25 3dx5 h GLN 40 N -0.08 0.53 -0.02 0.00 5.75 -1.11 -1.69 115.11 118.50 3dx5 h GLN 40 Ca 0.15 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 3dx5 h GLN 40 Cb 0.31 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3dx5 h GLN 40 CO -0.36 0.50 -0.53 -0.91 -2.65 0.00 0.00 178.83 174.89 3dx5 h ASN 41 N 0.44 0.05 -0.39 -0.69 -0.26 -1.09 -2.86 115.58 110.77 3dx5 h ASN 41 Ca 0.12 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.81 3dx5 h ASN 41 Cb 0.16 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 3dx5 h ASN 41 CO -0.01 0.57 0.14 -0.07 -1.06 0.00 0.00 177.43 176.99 3dx5 h LEU 42 N 0.03 0.56 -0.54 1.61 3.38 -0.92 0.07 115.31 119.50 3dx5 h LEU 42 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3dx5 h LEU 42 Cb 0.95 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3dx5 h LEU 42 CO 0.07 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.20 3dx5 n TYR 43 N -4.62 0.00 0.00 1.13 9.36 -0.66 -0.26 117.16 122.11 3dx5 n TYR 43 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3dx5 n TYR 43 Cb 0.16 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.87 3dx5 n TYR 43 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3dx5 n GLN 45 N 0.04 0.00 -2.74 2.98 3.00 0.01 -4.27 117.38 116.41 3dx5 n GLN 45 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3dx5 n GLN 45 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.28 3dx5 n GLN 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3dx5 n GLU 46 N -0.61 1.67 0.27 -1.09 -0.58 0.64 -4.96 120.64 115.98 3dx5 n GLU 46 Ca 0.00 -3.48 -0.16 0.00 -0.42 0.00 0.00 57.16 53.10 3dx5 n GLU 46 Cb 0.00 -1.54 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 3dx5 n GLU 46 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3dx5 h TYR 47 N 2.71 -0.62 -0.93 -0.32 3.20 -1.62 -1.16 116.97 118.23 3dx5 h TYR 47 Ca -0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3dx5 h TYR 47 Cb 1.25 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.68 3dx5 h TYR 47 CO 0.52 -0.34 0.56 1.49 -1.64 0.00 0.00 178.16 178.75 3dx5 h GLU 48 N -0.76 1.26 0.15 1.82 4.81 -1.93 0.76 114.58 120.68 3dx5 h GLU 48 Ca -0.07 -0.11 -0.28 0.00 -0.13 0.00 0.00 59.36 58.76 3dx5 h GLU 48 Cb 0.55 -0.26 0.03 0.00 0.63 0.00 0.00 28.75 29.70 3dx5 h GLU 48 CO 0.11 0.88 -1.20 1.79 -0.73 0.00 0.00 179.01 179.86 3dx5 h THR 49 N 1.28 1.32 -0.68 0.32 1.35 -1.97 -2.59 112.91 111.94 3dx5 h THR 49 Ca 0.33 -2.50 0.08 0.00 -0.55 0.00 0.00 66.41 63.77 3dx5 h THR 49 Cb -0.05 2.85 -0.07 0.00 -1.73 0.00 0.00 68.15 69.15 3dx5 h THR 49 CO -0.06 0.75 0.34 0.74 -0.25 0.00 0.00 175.52 177.04 3dx5 h THR 50 N 0.13 0.88 -0.85 6.82 2.02 -1.03 -1.94 112.91 118.94 3dx5 h THR 50 Ca -0.19 -0.21 0.10 0.00 0.77 0.00 0.00 66.41 66.88 3dx5 h THR 50 Cb 1.90 0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 68.46 3dx5 h THR 50 CO 0.23 0.11 0.49 -0.33 0.37 0.00 0.00 175.52 176.39 3dx5 h GLU 51 N 0.60 0.78 -0.40 6.66 4.39 -0.81 0.11 114.58 125.91 3dx5 h GLU 51 Ca 0.33 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 3dx5 h GLU 51 Cb 0.31 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3dx5 h GLU 51 CO -0.24 0.52 -0.10 0.07 -1.16 0.00 0.00 179.01 178.09 3dx5 h ARG 52 N 0.80 0.71 -0.19 2.33 0.11 -1.04 -1.87 114.38 115.23 3dx5 h ARG 52 Ca 0.41 -0.22 -0.02 0.00 0.10 0.00 0.00 59.98 60.25 3dx5 h ARG 52 Cb 0.40 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 3dx5 h ARG 52 CO -0.26 0.80 0.03 0.93 0.10 0.00 0.00 179.97 181.57 3dx5 h GLU 53 N 0.65 0.31 -0.62 0.08 4.39 -0.58 -3.17 114.58 115.64 3dx5 h GLU 53 Ca 0.11 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3dx5 h GLU 53 Cb 0.55 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3dx5 h GLU 53 CO 0.03 0.47 0.41 -0.07 -1.16 0.00 0.00 179.01 178.69 3dx5 h LEU 54 N 0.11 0.70 -1.14 1.33 3.38 -0.59 -1.65 115.31 117.44 3dx5 h LEU 54 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dx5 h LEU 54 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3dx5 h LEU 54 CO 0.00 0.50 0.00 0.78 0.09 0.00 0.00 178.44 179.82 3dx5 h ASN 55 N 0.82 0.00 -0.09 -0.43 2.35 -1.32 -2.64 115.58 114.27 3dx5 h ASN 55 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3dx5 h ASN 55 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3dx5 h ASN 55 CO -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.73 3dx5 h LEU 57 N 2.83 0.43 -1.11 0.00 3.38 -1.16 -2.32 115.31 117.35 3dx5 h LEU 57 Ca 0.00 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3dx5 h LEU 57 Cb 0.64 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3dx5 h LEU 57 CO 0.00 0.28 0.59 0.50 0.09 0.00 0.00 178.44 179.90 3dx5 h LYS 58 N 0.57 1.18 0.00 1.13 1.63 -1.79 -0.62 116.57 118.67 3dx5 h LYS 58 Ca 0.28 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3dx5 h LYS 58 Cb 0.21 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3dx5 h LYS 58 CO -0.20 0.79 -0.01 -0.44 -3.45 0.00 0.00 179.45 176.13 3dx5 h ASP 59 N 1.22 0.00 -0.64 4.20 3.32 -1.74 -1.22 116.42 121.56 3dx5 h ASP 59 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3dx5 h ASP 59 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3dx5 h ASP 59 CO -0.07 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.75 3dx5 n LYS 60 N -3.34 2.92 -3.91 3.56 5.02 -0.34 -4.95 118.16 117.12 3dx5 n LYS 60 Ca -0.03 -2.59 -0.28 0.00 -2.02 0.00 0.00 58.31 53.40 3dx5 n LYS 60 Cb 0.12 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 3dx5 n LYS 60 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dx5 n THR 61 N 1.31 -2.77 -4.43 -0.18 -1.04 -0.46 -4.90 114.28 101.80 3dx5 n THR 61 Ca 0.22 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 3dx5 n THR 61 Cb 0.63 -2.89 -0.11 0.00 -1.82 0.00 0.00 70.33 66.14 3dx5 n THR 61 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dx5 s LEU 62 N -7.05 2.51 0.22 -4.42 1.43 -0.61 -4.40 118.68 106.35 3dx5 s LEU 62 Ca 0.36 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 3dx5 s LEU 62 Cb -0.18 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 44.97 3dx5 s LEU 62 CO 0.85 0.06 0.55 -1.83 0.23 0.00 0.00 176.35 176.22 3dx5 s GLU 63 N -3.08 1.47 -0.26 1.70 -1.05 -1.14 -3.81 118.70 112.54 3dx5 s GLU 63 Ca 0.24 -0.92 -0.21 0.00 -0.15 0.00 0.00 54.97 53.94 3dx5 s GLU 63 Cb -0.06 0.53 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 3dx5 s GLU 63 CO 0.12 -0.63 0.65 0.42 0.95 0.00 0.00 175.26 176.77 3dx5 s ILE 64 N -3.90 4.96 -0.27 1.83 -1.09 -1.26 -0.70 121.20 120.78 3dx5 s ILE 64 Ca 0.11 1.16 0.19 0.00 -2.23 0.00 0.00 60.65 59.88 3dx5 s ILE 64 Cb -0.02 -3.96 0.16 0.00 -1.58 0.00 0.00 42.46 37.06 3dx5 s ILE 64 CO 0.00 0.01 1.45 0.71 -1.23 0.00 0.00 174.94 175.87 3dx5 h THR 65 N 5.42 0.44 -3.33 2.92 1.35 -1.16 -3.41 112.91 115.15 3dx5 h THR 65 Ca -0.26 -1.64 -0.66 0.00 -0.55 0.00 0.00 66.41 63.30 3dx5 h THR 65 Cb 1.12 2.17 -0.27 0.00 -1.73 0.00 0.00 68.15 69.44 3dx5 h THR 65 CO 0.79 0.25 -0.75 -0.63 -0.25 0.00 0.00 175.52 174.93 3dx5 s ILE 67 N -3.08 3.19 -0.23 6.82 1.01 -0.68 -4.59 121.20 123.64 3dx5 s ILE 67 Ca 0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 3dx5 s ILE 67 Cb 0.07 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3dx5 s ILE 67 CO 0.72 0.48 0.13 -0.94 0.00 0.00 0.00 174.94 175.34 3dx5 s SER 68 N 0.89 5.97 0.00 3.58 1.04 -0.44 -1.27 113.70 123.47 3dx5 s SER 68 Ca -0.02 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3dx5 s SER 68 Cb -0.15 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3dx5 s SER 68 CO 0.00 0.09 0.00 -0.67 0.98 0.00 0.00 173.24 173.64 3dx5 n ASP 69 N 4.12 0.00 -3.49 7.02 4.64 -0.56 0.82 116.55 129.10 3dx5 n ASP 69 Ca -0.15 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.16 3dx5 n ASP 69 Cb 0.52 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.51 3dx5 n ASP 69 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 3dx5 s TYR 70 N -0.57 -0.77 -0.20 -0.67 2.02 -1.26 -4.33 117.35 111.58 3dx5 s TYR 70 Ca 0.00 1.07 -0.05 0.00 -0.37 0.00 0.00 57.07 57.72 3dx5 s TYR 70 Cb 0.00 0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.64 3dx5 s TYR 70 CO 0.00 -0.60 -0.01 -0.51 -1.57 0.00 0.00 175.55 172.86 3dx5 s LEU 71 N 2.55 3.19 -0.58 -1.29 1.43 -1.26 -5.03 118.68 117.69 3dx5 s LEU 71 Ca 0.07 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 3dx5 s LEU 71 Cb -0.14 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3dx5 s LEU 71 CO -0.14 0.06 1.06 -0.62 0.23 0.00 0.00 176.35 176.94 3dx5 s ASP 72 N 1.05 6.36 -0.09 2.29 2.15 -1.26 -4.81 116.67 122.35 3dx5 s ASP 72 Ca 0.02 -0.22 0.13 0.00 0.43 0.00 0.00 52.55 52.91 3dx5 s ASP 72 Cb -0.14 -2.49 0.26 0.00 -0.30 0.00 0.00 42.92 40.25 3dx5 s ASP 72 CO 0.01 -1.37 1.18 2.30 -0.17 0.00 0.00 175.17 177.12 3dx5 n ILE 73 N 6.37 1.63 -0.64 4.11 -6.64 -1.26 -4.76 119.36 118.17 3dx5 n ILE 73 Ca 0.04 -1.70 -0.30 0.00 -1.77 0.00 0.00 62.75 59.02 3dx5 n ILE 73 Cb 0.48 0.04 0.20 0.00 -1.44 0.00 0.00 39.64 38.92 3dx5 n ILE 73 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 3dx5 s SER 74 N -1.96 2.15 0.28 7.28 1.04 -1.26 -4.89 113.70 116.33 3dx5 s SER 74 Ca 0.25 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 58.60 3dx5 s SER 74 Cb 0.20 -2.47 0.39 0.00 0.10 0.00 0.00 66.02 64.24 3dx5 s SER 74 CO 0.05 -3.54 1.81 -0.07 0.98 0.00 0.00 173.24 172.46 3dx5 h LEU 75 N -2.17 0.74 -1.22 2.42 3.38 -1.98 -2.28 115.31 114.21 3dx5 h LEU 75 Ca -0.50 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3dx5 h LEU 75 Cb 1.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3dx5 h LEU 75 CO 0.45 0.77 0.00 0.77 0.09 0.00 0.00 178.44 180.51 3dx5 h SER 76 N 0.75 0.00 -3.95 -0.43 4.64 -2.00 -3.46 113.55 109.10 3dx5 h SER 76 Ca 0.16 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.97 3dx5 h SER 76 Cb 0.35 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.50 3dx5 h SER 76 CO 0.01 0.00 0.50 0.00 -0.87 0.00 0.00 176.83 176.47 3dx5 s ALA 77 N -3.50 3.13 -0.72 5.18 0.00 -0.86 -4.98 121.76 120.01 3dx5 s ALA 77 Ca 0.01 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 3dx5 s ALA 77 Cb 0.08 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3dx5 s ALA 77 CO 0.34 -0.54 1.29 0.34 0.00 0.00 0.00 175.76 177.20 3dx5 s ASP 78 N -1.18 6.15 0.26 0.00 -1.08 -1.26 -4.90 116.67 114.66 3dx5 s ASP 78 Ca 0.58 -0.36 0.01 0.00 -0.52 0.00 0.00 52.55 52.26 3dx5 s ASP 78 Cb -0.30 -2.56 0.33 0.00 -1.46 0.00 0.00 42.92 38.94 3dx5 s ASP 78 CO 0.38 -1.83 1.67 0.15 0.52 0.00 0.00 175.17 176.06 3dx5 h PHE 79 N 10.17 0.57 -0.68 -5.34 3.57 -1.92 -1.76 116.94 121.56 3dx5 h PHE 79 Ca -0.28 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.10 3dx5 h PHE 79 Cb 1.06 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 3dx5 h PHE 79 CO 1.12 0.76 0.45 0.93 -2.23 0.00 0.00 178.31 179.34 3dx5 h GLU 80 N 0.43 0.86 -0.53 1.11 5.08 -1.98 -0.03 114.58 119.53 3dx5 h GLU 80 Ca 0.05 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3dx5 h GLU 80 Cb 0.77 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3dx5 h GLU 80 CO 0.06 0.57 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.39 3dx5 h LYS 81 N 0.89 0.95 -0.16 2.33 3.64 -1.76 -1.71 116.57 120.75 3dx5 h LYS 81 Ca 0.25 -0.32 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3dx5 h LYS 81 Cb -0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3dx5 h LYS 81 CO -0.06 0.99 0.06 1.15 -2.27 0.00 0.00 179.45 179.32 3dx5 h THR 82 N 0.82 0.97 -0.74 1.00 2.02 -0.73 -1.53 112.91 114.72 3dx5 h THR 82 Ca 0.14 -0.05 0.10 0.00 0.77 0.00 0.00 66.41 67.38 3dx5 h THR 82 Cb 0.58 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 3dx5 h THR 82 CO 0.03 0.03 0.37 0.40 0.37 0.00 0.00 175.52 176.72 3dx5 h ILE 83 N 0.14 0.82 -0.73 3.11 1.08 -0.99 -0.80 117.51 120.14 3dx5 h ILE 83 Ca 0.07 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3dx5 h ILE 83 Cb 0.04 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.91 3dx5 h ILE 83 CO -0.07 0.11 0.48 -0.08 -0.69 0.00 0.00 178.15 177.91 3dx5 h GLU 84 N 0.61 0.97 -0.75 2.37 4.81 -0.95 -1.53 114.58 120.11 3dx5 h GLU 84 Ca 0.37 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3dx5 h GLU 84 Cb 0.42 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3dx5 h GLU 84 CO -0.29 0.65 0.45 -0.22 -0.73 0.00 0.00 179.01 178.87 3dx5 h LYS 85 N 1.00 1.01 -0.88 1.92 3.64 -0.79 -1.42 116.57 121.05 3dx5 h LYS 85 Ca 0.27 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3dx5 h LYS 85 Cb -0.11 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.45 3dx5 h LYS 85 CO -0.06 0.72 0.58 0.00 -2.27 0.00 0.00 179.45 178.41 3dx5 h GLU 87 N 1.14 0.76 -0.27 0.00 5.08 -0.82 -1.41 114.58 119.06 3dx5 h GLU 87 Ca 0.34 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 3dx5 h GLU 87 Cb -0.04 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3dx5 h GLU 87 CO -0.10 0.75 -0.46 0.37 -1.00 0.00 0.00 179.01 178.57 3dx5 h GLN 88 N 0.72 0.79 -0.67 2.33 5.75 -0.63 -2.86 115.11 120.54 3dx5 h GLN 88 Ca 0.15 -0.49 0.06 0.00 -0.15 0.00 0.00 58.65 58.22 3dx5 h GLN 88 Cb 0.40 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 3dx5 h GLN 88 CO 0.01 1.11 0.44 -0.07 -2.65 0.00 0.00 178.83 177.68 3dx5 h LEU 89 N 0.54 0.62 -0.72 -2.39 3.38 -0.75 -0.94 115.31 115.05 3dx5 h LEU 89 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3dx5 h LEU 89 Cb 1.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3dx5 h LEU 89 CO 0.10 0.41 -0.14 0.00 0.09 0.00 0.00 178.44 178.90 3dx5 h ALA 90 N 1.63 0.91 0.02 1.53 0.00 -1.20 0.21 119.26 122.37 3dx5 h ALA 90 Ca 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dx5 h ALA 90 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dx5 h ALA 90 CO -0.09 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.60 3dx5 h ILE 91 N 0.74 0.98 -0.41 0.00 2.04 -1.10 -1.63 117.51 118.13 3dx5 h ILE 91 Ca 0.12 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3dx5 h ILE 91 Cb 0.65 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3dx5 h ILE 91 CO 0.05 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.39 3dx5 h LEU 92 N -0.03 0.44 -1.06 1.44 3.38 -0.93 -1.13 115.31 117.41 3dx5 h LEU 92 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dx5 h LEU 92 Cb 0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3dx5 h LEU 92 CO 0.01 0.32 0.41 0.00 0.09 0.00 0.00 178.44 179.26 3dx5 h ALA 93 N 1.17 1.28 -0.33 1.53 0.00 -0.51 0.97 119.26 123.36 3dx5 h ALA 93 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dx5 h ALA 93 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3dx5 h ALA 93 CO -0.05 0.58 0.21 -0.97 0.00 0.00 0.00 179.25 179.02 3dx5 h ASN 94 N 1.07 0.37 -0.33 0.00 -0.73 -0.99 0.91 115.58 115.87 3dx5 h ASN 94 Ca 0.27 -0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.36 3dx5 h ASN 94 Cb 0.04 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 3dx5 h ASN 94 CO -0.04 0.27 -0.05 -0.25 -0.37 0.00 0.00 177.43 176.98 3dx5 h TRP 95 N 0.44 0.69 0.00 0.67 7.01 -0.33 -2.73 115.95 121.70 3dx5 h TRP 95 Ca 0.12 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3dx5 h TRP 95 Cb -0.05 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 3dx5 h TRP 95 CO -0.06 0.77 0.00 1.19 -2.79 0.00 0.00 178.44 177.56 3dx5 n PHE 96 N -4.47 0.00 -3.45 2.65 3.72 0.25 -4.94 117.46 111.22 3dx5 n PHE 96 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.20 3dx5 n PHE 96 Cb 0.31 -0.25 0.08 0.00 -0.94 0.00 0.00 39.48 38.69 3dx5 n PHE 96 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3dx5 n LYS 97 N -1.25 -6.37 -4.30 -1.08 5.02 0.17 -4.38 118.16 105.98 3dx5 n LYS 97 Ca 0.15 0.83 -0.24 0.00 -2.02 0.00 0.00 58.31 57.03 3dx5 n LYS 97 Cb 0.22 -5.80 -0.12 0.00 -0.02 0.00 0.00 35.03 29.30 3dx5 n LYS 97 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3dx5 s THR 98 N -3.39 1.75 -0.18 -0.18 -1.32 -0.36 -4.72 115.64 107.23 3dx5 s THR 98 Ca 0.01 -1.58 0.17 0.00 -1.21 0.00 0.00 61.69 59.07 3dx5 s THR 98 Cb -0.00 -1.60 0.53 0.00 -1.51 0.00 0.00 72.50 69.92 3dx5 s THR 98 CO 0.74 -0.07 1.42 -0.46 -2.21 0.00 0.00 174.62 174.04 3dx5 n ASN 99 N 1.02 3.85 -4.02 8.08 6.94 -1.26 -4.46 115.26 125.41 3dx5 n ASN 99 Ca -0.19 -3.04 -0.20 0.00 -0.02 0.00 0.00 54.58 51.13 3dx5 n ASN 99 Cb 0.54 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 37.26 3dx5 n ASN 99 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3dx5 s LYS 100 N -2.85 0.85 -0.04 -3.83 1.02 -1.26 -0.12 119.74 113.51 3dx5 s LYS 100 Ca 0.42 -0.34 0.05 0.00 0.02 0.00 0.00 55.97 56.13 3dx5 s LYS 100 Cb 0.34 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 3dx5 s LYS 100 CO 0.09 0.18 -0.18 0.96 -0.92 0.00 0.00 175.35 175.47 3dx5 s ILE 101 N -0.10 1.51 -0.15 2.17 -4.36 -0.60 -1.68 121.20 117.99 3dx5 s ILE 101 Ca 0.02 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 59.52 3dx5 s ILE 101 Cb -0.05 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.32 3dx5 s ILE 101 CO -0.00 0.43 0.22 -0.60 0.24 0.00 0.00 174.94 175.23 3dx5 s ARG 102 N -0.06 4.04 0.25 0.37 3.00 -0.40 -0.48 118.95 125.66 3dx5 s ARG 102 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 55.73 54.69 3dx5 s ARG 102 Cb -0.11 -3.36 -0.03 0.00 0.00 0.00 0.00 34.95 31.45 3dx5 s ARG 102 CO 0.02 0.41 0.21 -0.08 0.00 0.00 0.00 175.30 175.85 3dx5 s THR 103 N -0.00 0.00 0.08 4.11 -1.32 -0.19 -1.50 115.64 116.81 3dx5 s THR 103 Ca 0.14 -1.95 0.05 0.00 -1.21 0.00 0.00 61.69 58.72 3dx5 s THR 103 Cb -0.12 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3dx5 s THR 103 CO 0.03 0.00 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.04 3dx5 s PHE 104 N -3.90 2.91 -0.98 9.09 0.08 -1.26 -1.84 117.98 122.08 3dx5 s PHE 104 Ca 0.38 -0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.26 3dx5 s PHE 104 Cb 0.05 -1.53 0.25 0.00 -0.57 0.00 0.00 43.02 41.22 3dx5 s PHE 104 CO 0.17 0.45 0.96 0.00 -0.10 0.00 0.00 175.22 176.70 3dx5 s ALA 105 N -1.23 4.40 0.00 5.36 0.00 -1.26 -4.77 121.76 124.26 3dx5 s ALA 105 Ca 0.23 -3.58 0.00 0.00 0.00 0.00 0.00 51.96 48.61 3dx5 s ALA 105 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3dx5 s ALA 105 CO 0.15 -2.27 0.00 0.41 0.00 0.00 0.00 175.76 174.06 3dx5 n GLY 106 N 3.37 -0.61 0.06 0.00 0.00 -1.26 -0.48 105.19 106.27 3dx5 n GLY 106 Ca 0.20 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.48 3dx5 n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dx5 n GLN 107 N -0.64 1.23 -4.13 1.61 1.13 -1.26 -4.64 117.38 110.68 3dx5 n GLN 107 Ca 0.00 -0.46 -0.09 0.00 -1.94 0.00 0.00 57.00 54.51 3dx5 n GLN 107 Cb 0.00 -0.92 -0.10 0.00 0.11 0.00 0.00 30.24 29.33 3dx5 n GLN 107 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3dx5 s LYS 108 N -0.46 0.74 0.67 -1.09 -2.85 -0.56 -4.76 119.74 111.43 3dx5 s LYS 108 Ca 0.02 -1.29 -0.17 0.00 -1.00 0.00 0.00 55.97 53.52 3dx5 s LYS 108 Cb 0.02 0.05 -0.00 0.00 -2.06 0.00 0.00 37.83 35.83 3dx5 s LYS 108 CO 0.04 -0.09 1.23 0.41 0.10 0.00 0.00 175.35 177.04 3dx5 n GLY 109 N 0.02 0.34 0.37 0.59 0.00 -1.23 -2.82 105.19 102.46 3dx5 n GLY 109 Ca -0.12 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.79 3dx5 n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dx5 h SER 110 N 0.29 0.68 0.50 1.61 4.64 -1.75 -0.99 113.55 118.53 3dx5 h SER 110 Ca -0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3dx5 h SER 110 Cb 1.34 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3dx5 h SER 110 CO 0.51 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.86 3dx5 h ALA 111 N 1.59 1.00 -0.05 5.18 0.00 -1.91 -2.59 119.26 122.48 3dx5 h ALA 111 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3dx5 h ALA 111 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dx5 h ALA 111 CO -0.16 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.84 3dx5 n ASP 112 N -2.65 2.51 -4.78 0.00 8.00 -0.38 -4.88 116.55 114.37 3dx5 n ASP 112 Ca -0.00 -1.83 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 3dx5 n ASP 112 Cb 0.17 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 3dx5 n ASP 112 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dx5 s PHE 113 N -1.97 3.80 0.79 1.24 0.40 -0.98 -5.00 117.98 116.27 3dx5 s PHE 113 Ca 0.32 1.38 -0.11 0.00 -0.60 0.00 0.00 56.93 57.92 3dx5 s PHE 113 Cb 0.20 -2.63 0.07 0.00 0.51 0.00 0.00 43.02 41.17 3dx5 s PHE 113 CO 0.31 0.48 1.09 -1.54 0.70 0.00 0.00 175.22 176.26 3dx5 s SER 114 N -0.80 4.53 0.09 1.36 1.04 -1.26 -4.89 113.70 113.77 3dx5 s SER 114 Ca 0.32 1.40 -0.34 0.00 0.48 0.00 0.00 55.95 57.81 3dx5 s SER 114 Cb -0.20 -2.15 -0.16 0.00 0.10 0.00 0.00 66.02 63.61 3dx5 s SER 114 CO 0.21 -1.96 1.53 1.56 0.98 0.00 0.00 173.24 175.57 3dx5 h GLN 115 N -1.08 -0.87 -0.87 4.02 4.20 -1.98 -1.71 115.11 116.82 3dx5 h GLN 115 Ca -0.47 0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.43 3dx5 h GLN 115 Cb 1.26 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 29.17 3dx5 h GLN 115 CO 0.58 -0.58 0.56 -0.56 -0.67 0.00 0.00 178.83 178.17 3dx5 h GLN 116 N -0.90 0.73 -0.12 1.46 3.07 -1.99 0.97 115.11 118.33 3dx5 h GLN 116 Ca -0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.62 3dx5 h GLN 116 Cb 0.81 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.20 3dx5 h GLN 116 CO -0.12 0.48 -0.04 1.49 0.09 0.00 0.00 178.83 180.73 3dx5 h GLU 117 N 0.75 0.24 -0.48 0.06 4.81 -1.91 -1.20 114.58 116.86 3dx5 h GLU 117 Ca 0.42 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 3dx5 h GLU 117 Cb 0.58 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 3dx5 h GLU 117 CO -0.19 0.55 0.21 -0.09 -0.73 0.00 0.00 179.01 178.76 3dx5 h ARG 118 N -0.08 0.41 -0.56 1.92 2.43 -0.50 -1.76 114.38 116.24 3dx5 h ARG 118 Ca 0.03 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3dx5 h ARG 118 Cb 0.46 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3dx5 h ARG 118 CO 0.01 0.27 -0.01 0.37 -1.51 0.00 0.00 179.97 179.11 3dx5 h GLN 119 N 0.42 1.00 -0.39 0.20 5.75 -0.62 -0.78 115.11 120.69 3dx5 h GLN 119 Ca 0.22 -0.32 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 3dx5 h GLN 119 Cb 0.17 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 3dx5 h GLN 119 CO -0.18 1.00 -0.07 0.93 -2.65 0.00 0.00 178.83 177.86 3dx5 h GLU 120 N 0.88 0.02 -0.84 1.69 4.39 -1.15 -1.52 114.58 118.06 3dx5 h GLU 120 Ca 0.16 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3dx5 h GLU 120 Cb 0.55 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3dx5 h GLU 120 CO 0.03 0.02 0.51 -0.92 -1.16 0.00 0.00 179.01 177.48 3dx5 h TYR 121 N 0.02 1.10 -0.41 4.33 3.20 -0.41 -1.05 116.97 123.75 3dx5 h TYR 121 Ca 0.19 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.12 3dx5 h TYR 121 Cb 0.29 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 3dx5 h TYR 121 CO -0.33 0.73 0.09 0.28 -1.64 0.00 0.00 178.16 177.30 3dx5 h VAL 122 N 1.16 0.80 -0.99 1.81 2.07 -0.74 -1.48 116.25 118.87 3dx5 h VAL 122 Ca 0.30 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.79 3dx5 h VAL 122 Cb -0.05 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 3dx5 h VAL 122 CO -0.06 0.04 0.65 0.78 0.02 0.00 0.00 177.57 179.00 3dx5 h ASN 123 N 0.23 1.06 -0.26 0.57 2.35 -0.18 -1.37 115.58 117.98 3dx5 h ASN 123 Ca 0.20 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 3dx5 h ASN 123 Cb 0.23 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dx5 h ASN 123 CO -0.25 0.71 -0.44 0.03 -1.65 0.00 0.00 177.43 175.82 3dx5 h ARG 124 N 1.22 0.76 -0.99 0.81 3.08 -1.00 -2.98 114.38 115.27 3dx5 h ARG 124 Ca 0.41 -0.47 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3dx5 h ARG 124 Cb 0.07 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 3dx5 h ARG 124 CO -0.14 1.09 0.65 0.82 -1.07 0.00 0.00 179.97 181.32 3dx5 h ILE 125 N 0.50 1.16 0.00 2.04 2.04 -1.13 -1.18 117.51 120.94 3dx5 h ILE 125 Ca 0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3dx5 h ILE 125 Cb 1.05 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3dx5 h ILE 125 CO 0.10 0.23 0.00 -1.14 0.00 0.00 0.00 178.15 177.34 3dx5 n ARG 126 N -4.46 0.07 0.00 2.37 0.63 -0.53 -0.95 116.66 113.80 3dx5 n ARG 126 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3dx5 n ARG 126 Cb 0.10 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 31.85 3dx5 n ARG 126 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3dx5 n ILE 128 N 0.62 0.00 -0.26 5.15 5.41 -0.45 -1.03 119.36 128.79 3dx5 n ILE 128 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 3dx5 n ILE 128 Cb 0.02 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.04 3dx5 n ILE 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dx5 h GLU 130 N 0.89 1.14 0.52 0.00 5.08 -1.35 0.19 114.58 121.06 3dx5 h GLU 130 Ca 0.30 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3dx5 h GLU 130 Cb 0.03 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.08 3dx5 h GLU 130 CO -0.11 0.89 -0.25 1.25 -1.00 0.00 0.00 179.01 179.79 3dx5 h LEU 131 N 1.11 -0.59 -1.35 1.33 6.46 -1.78 -3.18 115.31 117.31 3dx5 h LEU 131 Ca 0.27 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 3dx5 h LEU 131 Cb 0.14 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3dx5 h LEU 131 CO -0.03 -0.37 -0.27 -0.26 -0.62 0.00 0.00 178.44 176.89 3dx5 h PHE 132 N -0.78 0.09 -0.03 1.25 0.04 -1.20 -2.37 116.94 113.95 3dx5 h PHE 132 Ca -0.07 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.69 3dx5 h PHE 132 Cb 0.57 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 3dx5 h PHE 132 CO -0.02 0.35 0.02 0.00 -0.60 0.00 0.00 178.31 178.06 3dx5 h ALA 133 N 1.65 1.72 0.00 2.45 0.00 -0.61 -0.55 119.26 123.93 3dx5 h ALA 133 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dx5 h ALA 133 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dx5 h ALA 133 CO 0.04 -0.04 0.00 1.96 0.00 0.00 0.00 179.25 181.21 3dx5 h GLN 134 N 0.00 0.00 -0.57 0.00 1.08 -1.40 -2.35 115.11 111.86 3dx5 h GLN 134 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dx5 h GLN 134 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3dx5 h GLN 134 CO -0.00 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 178.60 3dx5 n HIS 135 N -2.90 0.98 -2.82 2.96 8.25 -0.24 -5.16 115.22 116.29 3dx5 n HIS 135 Ca 0.01 -0.56 -0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3dx5 n HIS 135 Cb 0.31 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3dx5 n HIS 135 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3dx5 n ASN 136 N 1.05 -6.87 -3.75 0.41 5.15 -0.89 -5.07 115.26 105.28 3dx5 n ASN 136 Ca 0.21 -0.07 -0.13 0.00 -0.60 0.00 0.00 54.58 53.99 3dx5 n ASN 136 Cb 0.67 -4.64 -0.10 0.00 -0.53 0.00 0.00 39.78 35.17 3dx5 n ASN 136 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3dx5 s TYR 138 N -3.01 -0.36 -0.33 1.20 2.02 0.83 -4.91 117.35 112.79 3dx5 s TYR 138 Ca 0.01 0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 57.42 3dx5 s TYR 138 Cb -0.00 0.13 -0.02 0.00 -0.40 0.00 0.00 41.96 41.67 3dx5 s TYR 138 CO 0.63 -0.23 0.31 0.08 -1.57 0.00 0.00 175.55 174.77 3dx5 s VAL 139 N -0.09 5.22 -0.28 0.71 1.01 -0.26 -1.56 120.40 125.15 3dx5 s VAL 139 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 3dx5 s VAL 139 Cb -0.03 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3dx5 s VAL 139 CO 0.01 -0.02 0.15 -0.76 0.00 0.00 0.00 175.10 174.48 3dx5 s LEU 140 N 1.90 3.88 0.04 3.92 1.02 0.37 0.07 118.68 129.88 3dx5 s LEU 140 Ca 0.10 -0.17 -0.25 0.00 0.02 0.00 0.00 54.13 53.84 3dx5 s LEU 140 Cb -0.17 -2.04 -0.05 0.00 0.02 0.00 0.00 46.19 43.95 3dx5 s LEU 140 CO 0.11 -0.08 0.75 -0.76 0.02 0.00 0.00 176.35 176.39 3dx5 s LEU 141 N 1.69 4.44 0.00 1.79 1.43 -0.55 -1.02 118.68 126.47 3dx5 s LEU 141 Ca 0.06 1.41 -0.20 0.00 -1.03 0.00 0.00 54.13 54.37 3dx5 s LEU 141 Cb -0.16 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 3dx5 s LEU 141 CO 0.08 0.02 0.60 -0.70 0.23 0.00 0.00 176.35 176.57 3dx5 s GLU 142 N -0.02 4.31 -0.20 1.70 2.12 -0.77 -0.78 118.70 125.06 3dx5 s GLU 142 Ca 0.38 0.74 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 3dx5 s GLU 142 Cb -0.20 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 3dx5 s GLU 142 CO 0.22 0.39 1.40 0.95 -0.54 0.00 0.00 175.26 177.68 3dx5 s THR 143 N -0.28 4.03 -0.12 -1.70 -4.23 -1.02 -4.72 115.64 107.60 3dx5 s THR 143 Ca 0.31 1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 61.92 3dx5 s THR 143 Cb -0.18 -3.92 0.03 0.00 1.34 0.00 0.00 72.50 69.77 3dx5 s THR 143 CO 0.17 -0.26 0.32 -1.00 -0.54 0.00 0.00 174.62 173.32 3dx5 s HIS 144 N 4.18 -0.36 0.77 3.99 3.76 -1.15 -4.48 115.29 121.99 3dx5 s HIS 144 Ca 0.61 0.87 -0.14 0.00 -0.15 0.00 0.00 55.06 56.25 3dx5 s HIS 144 Cb -0.22 0.12 0.06 0.00 1.11 0.00 0.00 32.58 33.65 3dx5 s HIS 144 CO 0.22 -0.18 1.19 -1.25 -0.85 0.00 0.00 174.74 173.87 3dx5 s PRO 145 N 0.26 1.94 -1.56 8.40 0.04 -1.26 -2.85 135.00 139.97 3dx5 s PRO 145 Ca -0.01 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3dx5 s PRO 145 Cb -0.03 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3dx5 s PRO 145 CO -0.00 -1.97 0.00 0.09 0.04 0.00 0.00 177.00 175.16 3dx5 n ASN 146 N -3.04 -5.26 -3.42 6.66 4.13 -1.26 -4.91 115.26 108.15 3dx5 n ASN 146 Ca 0.13 -0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.20 3dx5 n ASN 146 Cb 0.51 -4.33 -0.08 0.00 -1.54 0.00 0.00 39.78 34.33 3dx5 n ASN 146 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3dx5 s THR 147 N -2.90 0.00 0.09 3.41 -4.23 -1.13 -1.50 115.64 109.39 3dx5 s THR 147 Ca 0.00 -1.97 0.33 0.00 -1.18 0.00 0.00 61.69 58.88 3dx5 s THR 147 Cb 0.00 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.69 3dx5 s THR 147 CO 0.00 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.00 3dx5 h LEU 148 N 2.18 0.00 -3.89 4.79 3.38 -0.86 -2.58 115.31 118.32 3dx5 h LEU 148 Ca -0.26 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.21 3dx5 h LEU 148 Cb 1.23 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.69 3dx5 h LEU 148 CO 0.38 0.00 0.64 0.35 0.09 0.00 0.00 178.44 179.89 3dx5 n THR 149 N -2.85 3.12 1.25 0.22 -2.24 -1.26 -4.08 114.28 108.44 3dx5 n THR 149 Ca -0.00 -1.87 0.14 0.00 -2.27 0.00 0.00 64.05 60.05 3dx5 n THR 149 Cb 0.21 -0.54 0.63 0.00 -2.10 0.00 0.00 70.33 68.54 3dx5 n THR 149 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dx5 n ASP 150 N -1.05 0.16 -4.12 3.42 5.75 -1.07 -2.95 116.55 116.70 3dx5 n ASP 150 Ca 0.57 -0.07 -0.11 0.00 -0.01 0.00 0.00 54.79 55.17 3dx5 n ASP 150 Cb 1.56 -0.25 -0.11 0.00 -1.03 0.00 0.00 41.12 41.30 3dx5 n ASP 150 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3dx5 s THR 151 N -2.72 0.59 0.09 2.12 -4.23 -1.26 -4.70 115.64 105.54 3dx5 s THR 151 Ca 0.23 -1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 58.95 3dx5 s THR 151 Cb 0.20 -1.19 -0.13 0.00 1.34 0.00 0.00 72.50 72.72 3dx5 s THR 151 CO 0.51 -0.66 1.71 0.25 -0.54 0.00 0.00 174.62 175.88 3dx5 h LEU 152 N 3.66 -0.19 -1.37 4.79 5.85 -1.93 -1.58 115.31 124.54 3dx5 h LEU 152 Ca -0.35 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3dx5 h LEU 152 Cb 1.18 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3dx5 h LEU 152 CO 0.54 -0.12 0.42 -0.65 -0.34 0.00 0.00 178.44 178.29 3dx5 h PRO 153 N -0.17 0.84 -0.41 5.25 0.11 -1.99 -1.11 132.00 134.54 3dx5 h PRO 153 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 3dx5 h PRO 153 Cb 0.16 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3dx5 h PRO 153 CO -0.02 0.56 -0.21 1.03 -0.21 0.00 0.00 178.00 179.15 3dx5 h SER 154 N 0.87 0.82 -0.16 -2.05 0.87 -1.82 0.01 113.55 112.09 3dx5 h SER 154 Ca 0.23 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3dx5 h SER 154 Cb -0.09 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3dx5 h SER 154 CO -0.05 1.01 0.05 0.74 -0.53 0.00 0.00 176.83 178.05 3dx5 h THR 155 N 0.70 1.18 -0.58 2.23 2.02 -0.81 0.12 112.91 117.78 3dx5 h THR 155 Ca 0.10 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.72 3dx5 h THR 155 Cb 0.73 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3dx5 h THR 155 CO 0.06 0.17 0.38 -0.07 0.37 0.00 0.00 175.52 176.43 3dx5 h LEU 156 N 0.07 0.65 -0.20 2.58 3.38 -1.06 -1.87 115.31 118.85 3dx5 h LEU 156 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dx5 h LEU 156 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3dx5 h LEU 156 CO -0.00 0.47 0.06 -0.08 0.09 0.00 0.00 178.44 178.98 3dx5 h GLU 157 N 0.77 0.15 -0.66 1.13 4.57 -0.78 -2.27 114.58 117.49 3dx5 h GLU 157 Ca 0.22 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.48 3dx5 h GLU 157 Cb -0.06 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.42 3dx5 h GLU 157 CO -0.06 0.10 0.29 1.25 -1.18 0.00 0.00 179.01 179.41 3dx5 h LEU 158 N 0.16 0.34 -0.85 1.64 5.85 -0.40 0.13 115.31 122.17 3dx5 h LEU 158 Ca 0.09 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3dx5 h LEU 158 Cb 0.06 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3dx5 h LEU 158 CO -0.09 0.20 0.38 -0.07 -0.34 0.00 0.00 178.44 178.51 3dx5 h LEU 159 N 0.50 1.11 -0.73 2.25 3.38 -1.14 -0.45 115.31 120.23 3dx5 h LEU 159 Ca 0.33 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3dx5 h LEU 159 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dx5 h LEU 159 CO -0.29 0.95 -0.59 1.23 0.09 0.00 0.00 178.44 179.83 3dx5 h GLY 160 N 1.20 0.16 1.13 0.83 0.00 -0.81 -1.63 103.07 103.95 3dx5 h GLY 160 Ca 0.28 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 3dx5 h GLY 160 CO -0.03 0.17 -0.82 0.83 0.00 0.00 0.00 176.54 176.70 3dx5 h GLU 161 N 0.11 0.72 -0.09 4.80 5.08 -0.00 -3.28 114.58 121.92 3dx5 h GLU 161 Ca -0.00 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 57.65 3dx5 h GLU 161 Cb 1.07 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dx5 h GLU 161 CO 0.09 1.25 -0.16 0.28 -1.00 0.00 0.00 179.01 179.46 3dx5 h VAL 162 N 0.42 1.39 -6.01 3.13 2.07 -1.16 -3.48 116.25 112.62 3dx5 h VAL 162 Ca -0.07 -1.43 -0.39 0.00 0.82 0.00 0.00 66.70 65.63 3dx5 h VAL 162 Cb 1.46 2.10 0.09 0.00 -1.52 0.00 0.00 31.29 33.42 3dx5 h VAL 162 CO 0.17 0.41 -0.87 -0.67 0.02 0.00 0.00 177.57 176.63 3dx5 n ASP 163 N -4.58 -3.32 -4.12 0.57 2.03 -0.61 -4.93 116.55 101.59 3dx5 n ASP 163 Ca -0.07 -0.85 -0.24 0.00 0.52 0.00 0.00 54.79 54.14 3dx5 n ASP 163 Cb 0.38 -4.09 -0.15 0.00 -0.72 0.00 0.00 41.12 36.54 3dx5 n ASP 163 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3dx5 s HIS 164 N -3.56 1.47 -0.15 -0.67 2.46 -1.26 -5.04 115.29 108.53 3dx5 s HIS 164 Ca 0.22 -0.33 0.27 0.00 0.47 0.00 0.00 55.06 55.68 3dx5 s HIS 164 Cb -0.06 -0.97 1.30 0.00 -0.13 0.00 0.00 32.58 32.72 3dx5 s HIS 164 CO 0.81 -0.07 1.81 -1.00 -2.47 0.00 0.00 174.74 173.82 3dx5 h PRO 165 N 5.96 0.00 -0.28 2.88 0.13 -1.98 -2.85 132.00 135.86 3dx5 h PRO 165 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3dx5 h PRO 165 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3dx5 h PRO 165 CO 0.48 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.34 3dx5 n ASN 166 N -2.45 3.34 -4.66 1.44 4.13 -1.26 -4.87 115.26 110.93 3dx5 n ASN 166 Ca -0.00 -2.00 -0.40 0.00 1.68 0.00 0.00 54.58 53.86 3dx5 n ASN 166 Cb 0.14 -0.18 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 3dx5 n ASN 166 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3dx5 s LEU 167 N -1.64 4.15 0.00 3.41 2.96 -1.08 -1.11 118.68 125.38 3dx5 s LEU 167 Ca 0.36 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 3dx5 s LEU 167 Cb 0.22 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3dx5 s LEU 167 CO 0.31 -0.30 0.12 0.29 -1.32 0.00 0.00 176.35 175.46 3dx5 n LYS 168 N 5.06 0.61 -4.89 1.98 4.76 0.11 -4.96 118.16 120.84 3dx5 n LYS 168 Ca -0.00 -2.38 -0.26 0.00 -2.87 0.00 0.00 58.31 52.80 3dx5 n LYS 168 Cb 0.50 1.41 -0.16 0.00 -1.84 0.00 0.00 35.03 34.94 3dx5 n LYS 168 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dx5 s ILE 169 N -2.67 1.48 -0.43 -0.18 -1.09 0.38 -1.48 121.20 117.21 3dx5 s ILE 169 Ca 0.17 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 3dx5 s ILE 169 Cb 0.01 -1.25 0.03 0.00 -1.58 0.00 0.00 42.46 39.67 3dx5 s ILE 169 CO 0.12 0.42 0.35 0.21 -1.23 0.00 0.00 174.94 174.81 3dx5 s ASN 170 N -0.18 6.14 -0.43 3.58 2.47 0.04 -1.29 114.94 125.26 3dx5 s ASN 170 Ca 0.01 -0.95 -0.24 0.00 0.42 0.00 0.00 52.86 52.10 3dx5 s ASN 170 Cb -0.10 -2.18 0.02 0.00 -1.45 0.00 0.00 41.25 37.55 3dx5 s ASN 170 CO 0.01 -0.53 0.82 -0.22 -3.72 0.00 0.00 177.10 173.46 3dx5 s LEU 171 N 1.78 4.17 -0.52 3.21 2.96 -0.29 -2.43 118.68 127.55 3dx5 s LEU 171 Ca 0.06 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.92 3dx5 s LEU 171 Cb -0.20 -3.03 0.13 0.00 0.50 0.00 0.00 46.19 43.59 3dx5 s LEU 171 CO 0.10 -0.90 0.43 -0.62 -1.32 0.00 0.00 176.35 174.04 3dx5 s ASP 172 N 2.08 5.94 0.25 3.68 -1.08 -1.26 -1.48 116.67 124.81 3dx5 s ASP 172 Ca 0.32 -1.92 -0.06 0.00 -0.52 0.00 0.00 52.55 50.36 3dx5 s ASP 172 Cb -0.12 -2.10 0.25 0.00 -1.46 0.00 0.00 42.92 39.49 3dx5 s ASP 172 CO 0.22 -0.75 1.92 -0.26 0.52 0.00 0.00 175.17 176.82 3dx5 h PHE 173 N 8.57 1.25 -0.34 -5.34 0.04 -1.90 -1.84 116.94 117.38 3dx5 h PHE 173 Ca -0.23 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.64 3dx5 h PHE 173 Cb 1.08 -0.42 -0.08 0.00 2.20 0.00 0.00 35.95 38.73 3dx5 h PHE 173 CO 0.70 0.79 -0.18 1.25 -0.60 0.00 0.00 178.31 180.26 3dx5 h LEU 174 N 1.35 -0.62 -1.09 1.54 7.12 -1.82 0.30 115.31 122.08 3dx5 h LEU 174 Ca 0.36 0.14 -0.09 0.00 0.13 0.00 0.00 57.88 58.42 3dx5 h LEU 174 Cb -0.15 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 3dx5 h LEU 174 CO -0.08 -0.22 -0.38 0.45 -0.13 0.00 0.00 178.44 178.09 3dx5 h HIS 175 N -0.13 0.16 -0.19 1.25 3.86 -1.71 -0.48 115.15 117.91 3dx5 h HIS 175 Ca 0.17 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3dx5 h HIS 175 Cb 0.40 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3dx5 h HIS 175 CO -0.40 0.50 0.04 0.82 0.86 0.00 0.00 177.93 179.75 3dx5 h ILE 176 N 0.12 1.21 -0.62 2.45 1.08 -0.92 -2.30 117.51 118.53 3dx5 h ILE 176 Ca 0.01 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.82 3dx5 h ILE 176 Cb 0.73 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 3dx5 h ILE 176 CO 0.05 0.21 0.38 -0.25 -0.69 0.00 0.00 178.15 177.86 3dx5 h TRP 177 N 0.11 0.72 -0.89 1.37 7.01 -0.60 -1.90 115.95 121.76 3dx5 h TRP 177 Ca 0.06 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.21 3dx5 h TRP 177 Cb 0.29 -0.23 -0.07 0.00 -2.10 0.00 0.00 29.16 27.05 3dx5 h TRP 177 CO 0.01 0.41 0.57 1.49 -2.79 0.00 0.00 178.44 178.14 3dx5 h GLU 178 N 0.75 0.72 0.00 2.65 4.81 -0.98 -0.09 114.58 122.45 3dx5 h GLU 178 Ca 0.25 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3dx5 h GLU 178 Cb 0.01 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.23 3dx5 h GLU 178 CO -0.10 0.48 0.00 -1.13 -0.73 0.00 0.00 179.01 177.53 3dx5 n SER 179 N -4.56 0.00 0.00 1.04 3.41 -0.72 -4.86 113.62 107.93 3dx5 n SER 179 Ca 0.17 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3dx5 n SER 179 Cb 0.43 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3dx5 n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dx5 n GLY 180 N 0.33 0.24 3.84 5.00 0.00 -0.05 -4.97 105.19 109.59 3dx5 n GLY 180 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3dx5 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx5 s ALA 181 N -2.00 3.12 0.04 4.61 0.00 -1.18 -5.02 121.76 121.34 3dx5 s ALA 181 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 3dx5 s ALA 181 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3dx5 s ALA 181 CO 0.00 -0.04 1.12 0.34 0.00 0.00 0.00 175.76 177.18 3dx5 s ASP 182 N -2.73 7.18 0.17 0.00 2.15 -1.26 -4.14 116.67 118.05 3dx5 s ASP 182 Ca 0.58 1.90 -0.14 0.00 0.43 0.00 0.00 52.55 55.32 3dx5 s ASP 182 Cb -0.10 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.05 3dx5 s ASP 182 CO 0.24 -0.39 1.78 -0.65 -0.17 0.00 0.00 175.17 175.98 3dx5 h PRO 183 N 6.76 0.44 -0.12 4.34 0.11 -1.91 -0.04 132.00 141.59 3dx5 h PRO 183 Ca -0.41 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3dx5 h PRO 183 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dx5 h PRO 183 CO 0.79 0.29 -0.01 0.28 -0.21 0.00 0.00 178.00 179.14 3dx5 h VAL 184 N 0.46 1.27 -0.88 3.15 2.07 -1.93 -0.79 116.25 119.60 3dx5 h VAL 184 Ca 0.20 -0.86 0.11 0.00 0.82 0.00 0.00 66.70 66.97 3dx5 h VAL 184 Cb 0.11 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 3dx5 h VAL 184 CO -0.14 0.25 0.51 -0.78 0.02 0.00 0.00 177.57 177.42 3dx5 h ASP 185 N -0.07 0.71 -0.54 0.57 3.58 -1.95 -0.39 116.42 118.32 3dx5 h ASP 185 Ca 0.03 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 3dx5 h ASP 185 Cb 0.39 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3dx5 h ASP 185 CO 0.01 0.37 -0.01 0.77 -2.88 0.00 0.00 179.24 177.50 3dx5 h SER 186 N 0.80 0.98 -0.55 2.28 4.64 -0.81 -0.71 113.55 120.18 3dx5 h SER 186 Ca 0.44 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3dx5 h SER 186 Cb 0.47 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 3dx5 h SER 186 CO -0.28 1.04 0.35 0.15 -0.87 0.00 0.00 176.83 177.21 3dx5 h PHE 187 N 0.91 0.66 -0.35 4.77 3.57 -0.42 0.05 116.94 126.14 3dx5 h PHE 187 Ca 0.16 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3dx5 h PHE 187 Cb 0.55 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3dx5 h PHE 187 CO 0.04 0.40 -0.30 1.96 -2.23 0.00 0.00 178.31 178.17 3dx5 h GLN 188 N 0.70 0.74 0.00 1.11 4.20 -0.62 0.13 115.11 121.38 3dx5 h GLN 188 Ca 0.21 -0.33 -0.21 0.00 0.06 0.00 0.00 58.65 58.38 3dx5 h GLN 188 Cb -0.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3dx5 h GLN 188 CO -0.07 0.95 -0.91 1.96 -0.67 0.00 0.00 178.83 180.08 3dx5 h GLN 189 N 0.63 0.31 -0.00 1.46 4.20 -0.98 -3.25 115.11 117.48 3dx5 h GLN 189 Ca 0.07 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3dx5 h GLN 189 Cb 0.82 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3dx5 h GLN 189 CO 0.07 1.04 -0.41 1.28 -0.67 0.00 0.00 178.83 180.13 3dx5 n LEU 190 N -3.71 0.88 -0.34 1.46 4.77 -0.01 -4.61 117.00 115.44 3dx5 n LEU 190 Ca -0.05 -0.20 0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3dx5 n LEU 190 Cb 0.82 -0.16 0.29 0.00 -2.33 0.00 0.00 43.42 42.04 3dx5 n LEU 190 CO 0.50 0.18 0.81 -0.09 -1.33 0.00 0.00 177.39 177.46 3dx5 h ARG 191 N 0.73 0.02 -0.01 3.23 2.43 -0.78 -0.50 114.38 119.50 3dx5 h ARG 191 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dx5 h ARG 191 Cb 0.52 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3dx5 h ARG 191 CO 0.00 0.01 0.03 -1.35 -1.51 0.00 0.00 179.97 177.15 3dx5 h PRO 192 N 0.02 0.00 -0.00 0.20 0.11 -1.85 -2.79 132.00 127.68 3dx5 h PRO 192 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3dx5 h PRO 192 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dx5 h PRO 192 CO -0.90 0.00 -0.57 0.91 -0.21 0.00 0.00 178.00 177.23 3dx5 n TRP 193 N -3.41 0.00 -2.48 0.65 8.01 -0.21 -5.02 117.44 114.97 3dx5 n TRP 193 Ca -0.03 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.75 3dx5 n TRP 193 Cb 0.10 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.37 3dx5 n TRP 193 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3dx5 s ILE 194 N -2.21 4.03 -0.02 -0.99 1.01 -1.06 -0.47 121.20 121.49 3dx5 s ILE 194 Ca 0.08 1.56 0.03 0.00 0.00 0.00 0.00 60.65 62.32 3dx5 s ILE 194 Cb 0.12 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3dx5 s ILE 194 CO 0.53 0.18 0.82 0.00 0.00 0.00 0.00 174.94 176.48 3dx5 n GLN 195 N 3.28 0.79 -3.63 2.79 6.02 -0.41 -4.86 117.38 121.36 3dx5 n GLN 195 Ca 0.06 -1.12 -0.03 0.00 -0.01 0.00 0.00 57.00 55.90 3dx5 n GLN 195 Cb 0.47 -0.74 -0.03 0.00 1.02 0.00 0.00 30.24 30.95 3dx5 n GLN 195 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3dx5 s HIS 196 N -0.60 -0.08 0.20 1.08 2.46 -1.22 -4.64 115.29 112.49 3dx5 s HIS 196 Ca 0.04 0.11 0.09 0.00 0.47 0.00 0.00 55.06 55.77 3dx5 s HIS 196 Cb 0.04 0.50 -0.05 0.00 -0.13 0.00 0.00 32.58 32.94 3dx5 s HIS 196 CO 0.00 -0.10 -0.18 0.71 -2.47 0.00 0.00 174.74 172.71 3dx5 s TYR 197 N -1.54 1.93 -0.09 3.88 2.02 -0.02 -1.14 117.35 122.40 3dx5 s TYR 197 Ca 0.09 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3dx5 s TYR 197 Cb -0.01 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 3dx5 s TYR 197 CO -0.05 0.44 -0.20 -1.01 -1.57 0.00 0.00 175.55 173.15 3dx5 s HIS 198 N -2.38 2.62 -0.23 2.71 3.76 -0.55 -1.29 115.29 119.93 3dx5 s HIS 198 Ca 0.21 -0.78 -0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3dx5 s HIS 198 Cb -0.04 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.95 3dx5 s HIS 198 CO 0.09 -0.26 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.56 3dx5 s PHE 199 N 0.13 3.00 0.20 1.40 0.40 0.16 -2.99 117.98 120.28 3dx5 s PHE 199 Ca -0.10 -1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 54.55 3dx5 s PHE 199 Cb -0.16 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 3dx5 s PHE 199 CO 0.06 -0.74 0.38 -1.59 0.70 0.00 0.00 175.22 174.03 3dx5 s LYS 200 N 1.32 1.34 0.18 0.44 -2.85 -1.26 -1.88 119.74 117.03 3dx5 s LYS 200 Ca 0.01 -1.21 -0.03 0.00 -1.00 0.00 0.00 55.97 53.74 3dx5 s LYS 200 Cb -0.16 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 3dx5 s LYS 200 CO -0.06 -0.53 0.17 1.21 0.10 0.00 0.00 175.35 176.24 3dx5 s ASN 201 N -2.99 0.15 0.03 0.03 3.84 -1.26 -4.33 114.94 110.42 3dx5 s ASN 201 Ca 0.20 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 52.06 3dx5 s ASN 201 Cb 0.01 0.39 -0.02 0.00 -0.55 0.00 0.00 41.25 41.08 3dx5 s ASN 201 CO 0.04 -0.85 -0.04 -0.51 -2.79 0.00 0.00 177.10 172.95 3dx5 s ILE 202 N -4.09 0.24 0.12 -5.21 1.10 -1.26 -3.17 121.20 108.94 3dx5 s ILE 202 Ca 0.30 -1.07 0.20 0.00 -0.51 0.00 0.00 60.65 59.57 3dx5 s ILE 202 Cb 0.06 -0.51 0.16 0.00 0.15 0.00 0.00 42.46 42.32 3dx5 s ILE 202 CO 0.07 -0.53 1.73 0.77 -2.11 0.00 0.00 174.94 174.87 3dx5 h SER 203 N 4.42 0.00 -4.56 4.50 4.64 -0.32 -1.04 113.55 121.19 3dx5 h SER 203 Ca -0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3dx5 h SER 203 Cb 1.20 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 3dx5 h SER 203 CO 0.44 0.34 0.37 -0.55 -0.87 0.00 0.00 176.83 176.56 3dx5 s SER 204 N -6.36 -0.51 0.55 4.97 0.15 -1.26 -4.33 113.70 106.90 3dx5 s SER 204 Ca 0.01 0.56 0.27 0.00 0.70 0.00 0.00 55.95 57.49 3dx5 s SER 204 Cb 0.10 0.42 1.46 0.00 -1.71 0.00 0.00 66.02 66.29 3dx5 s SER 204 CO 0.68 -0.48 1.97 0.00 1.20 0.00 0.00 173.24 176.61 3dx5 h ALA 205 N 2.77 2.40 -0.33 5.45 0.00 -2.00 -1.93 119.26 125.62 3dx5 h ALA 205 Ca -0.23 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3dx5 h ALA 205 Cb 1.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dx5 h ALA 205 CO 0.35 -0.70 0.36 -0.44 0.00 0.00 0.00 179.25 178.82 3dx5 h ASP 206 N 0.00 0.00 -0.50 0.00 5.19 -2.01 -2.33 116.42 116.77 3dx5 h ASP 206 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3dx5 h ASP 206 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3dx5 h ASP 206 CO -0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 3dx5 n TYR 207 N -3.75 0.66 0.21 4.55 4.01 -0.72 -4.64 117.16 117.47 3dx5 n TYR 207 Ca 0.05 -0.45 0.14 0.00 -0.16 0.00 0.00 57.90 57.48 3dx5 n TYR 207 Cb 0.51 -0.01 0.76 0.00 -0.31 0.00 0.00 39.34 40.29 3dx5 n TYR 207 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3dx5 h LEU 208 N 3.22 0.00 -1.22 7.72 3.38 -1.55 -1.72 115.31 125.13 3dx5 h LEU 208 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dx5 h LEU 208 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3dx5 h LEU 208 CO 0.00 0.00 0.00 1.12 0.09 0.00 0.00 178.44 179.65 3dx5 h HIS 209 N 0.00 0.00 0.00 1.13 2.07 -1.84 -2.39 115.15 114.11 3dx5 h HIS 209 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 3dx5 h HIS 209 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 3dx5 h HIS 209 CO 0.00 0.00 0.00 -0.39 -3.07 0.00 0.00 177.93 174.47 3dx5 h VAL 210 N 0.00 0.00 -0.02 6.12 -1.51 -1.64 -1.74 116.25 117.47 3dx5 h VAL 210 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3dx5 h VAL 210 Cb 0.20 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3dx5 h VAL 210 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3dx5 n PHE 211 N -2.94 0.02 -1.77 5.19 3.72 -0.90 -4.09 117.46 116.69 3dx5 n PHE 211 Ca -0.00 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3dx5 n PHE 211 Cb 0.22 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 3dx5 n PHE 211 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3dx5 s GLU 212 N -1.98 4.12 0.25 -1.08 2.02 -0.66 -4.77 118.70 116.60 3dx5 s GLU 212 Ca 0.41 2.59 -0.04 0.00 0.02 0.00 0.00 54.97 57.95 3dx5 s GLU 212 Cb 0.20 -3.03 0.47 0.00 0.10 0.00 0.00 34.13 31.87 3dx5 s GLU 212 CO 0.33 -0.64 1.74 -1.35 0.02 0.00 0.00 175.26 175.36 3dx5 h PRO 213 N 4.98 0.49 -0.61 0.39 0.11 -1.91 0.36 132.00 135.81 3dx5 h PRO 213 Ca -0.47 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3dx5 h PRO 213 Cb 1.22 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3dx5 h PRO 213 CO 0.80 0.32 0.40 -0.91 -0.21 0.00 0.00 178.00 178.41 3dx5 h ASN 214 N 0.50 0.70 -0.15 -2.05 2.35 -1.96 0.47 115.58 115.44 3dx5 h ASN 214 Ca 0.42 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.95 3dx5 h ASN 214 Cb 0.61 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.82 3dx5 h ASN 214 CO -0.38 0.51 -0.70 -1.13 -1.65 0.00 0.00 177.43 174.07 3dx5 h ASN 215 N 0.83 0.88 -0.62 5.81 -1.24 -1.29 -2.80 115.58 117.15 3dx5 h ASN 215 Ca 0.22 -0.63 -0.01 0.00 0.71 0.00 0.00 56.30 56.60 3dx5 h ASN 215 Cb -0.10 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.67 3dx5 h ASN 215 CO -0.05 1.36 0.36 0.58 -1.29 0.00 0.00 177.43 178.40 3dx5 h VAL 216 N 0.45 1.19 0.00 2.57 2.07 -0.58 -3.19 116.25 118.76 3dx5 h VAL 216 Ca -0.05 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 3dx5 h VAL 216 Cb 1.33 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3dx5 h VAL 216 CO 0.15 0.19 -0.48 1.88 0.02 0.00 0.00 177.57 179.33 3dx5 h TYR 217 N 0.84 0.00 -3.09 1.57 0.05 -0.94 -3.45 116.97 111.95 3dx5 h TYR 217 Ca 0.22 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.47 3dx5 h TYR 217 Cb -0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 3dx5 h TYR 217 CO -0.02 0.48 0.65 0.00 -1.05 0.00 0.00 178.16 178.22 3dx5 s ALA 218 N -3.22 3.50 0.30 3.88 0.00 -1.06 -4.95 121.76 120.21 3dx5 s ALA 218 Ca 0.02 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 3dx5 s ALA 218 Cb 0.09 -3.50 0.49 0.00 0.00 0.00 0.00 23.12 20.21 3dx5 s ALA 218 CO 0.72 -0.54 1.94 0.00 0.00 0.00 0.00 175.76 177.88 3dx5 h ALA 219 N 6.84 1.47 -0.45 0.00 0.00 -1.87 -1.39 119.26 123.87 3dx5 h ALA 219 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dx5 h ALA 219 Cb 1.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dx5 h ALA 219 CO 0.84 0.44 0.00 0.00 0.00 0.00 0.00 179.25 180.53 3dx5 n ALA 220 N -2.40 2.70 -1.74 0.00 0.00 -1.26 -4.96 120.51 112.84 3dx5 n ALA 220 Ca 0.11 -0.95 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 3dx5 n ALA 220 Cb 0.11 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.62 3dx5 n ALA 220 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dx5 s GLY 221 N -0.86 2.83 0.18 0.00 0.00 -0.53 -4.94 107.32 104.01 3dx5 s GLY 221 Ca 0.33 1.18 -0.31 0.00 0.00 0.00 0.00 44.72 45.91 3dx5 s GLY 221 CO 0.18 1.61 1.53 0.21 0.00 0.00 0.00 173.10 176.63 3dx5 s ASN 222 N -1.38 6.61 0.00 1.64 2.47 -1.26 -4.93 114.94 118.09 3dx5 s ASN 222 Ca 0.79 2.61 0.07 0.00 0.42 0.00 0.00 52.86 56.76 3dx5 s ASN 222 Cb -0.36 -2.60 0.08 0.00 -1.45 0.00 0.00 41.25 36.92 3dx5 s ASN 222 CO 0.39 -0.79 0.81 0.54 -3.72 0.00 0.00 177.10 174.33 3dx5 n ARG 223 N 3.57 0.53 -1.64 0.43 5.12 -1.26 -4.85 116.66 118.56 3dx5 n ARG 223 Ca 0.12 -1.09 -0.47 0.00 -1.93 0.00 0.00 57.85 54.48 3dx5 n ARG 223 Cb 0.39 -1.14 -0.04 0.00 -1.16 0.00 0.00 32.46 30.51 3dx5 n ARG 223 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3dx5 n THR 224 N 0.35 0.68 -0.63 0.55 -1.04 -1.26 -4.88 114.28 108.05 3dx5 n THR 224 Ca 0.05 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3dx5 n THR 224 Cb 0.21 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 3dx5 n THR 224 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dx5 n GLY 225 N 2.36 0.15 0.00 3.41 0.00 -1.26 -4.88 105.19 104.97 3dx5 n GLY 225 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3dx5 n GLY 225 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dx5 n VAL 227 N -0.23 0.00 -0.80 1.61 0.24 -1.19 0.48 118.33 118.43 3dx5 n VAL 227 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 3dx5 n VAL 227 Cb 0.02 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 32.53 3dx5 n VAL 227 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3dx5 n PRO 228 N -1.00 -0.28 -0.29 7.34 -0.02 -1.26 -4.05 135.00 135.44 3dx5 n PRO 228 Ca 0.00 -0.03 0.06 0.00 -2.02 0.00 0.00 63.50 61.52 3dx5 n PRO 228 Cb 0.00 -2.10 0.21 0.00 -0.02 0.00 0.00 33.50 31.60 3dx5 n PRO 228 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dx5 h LEU 229 N -1.56 0.49 -0.95 2.45 3.38 -1.94 -1.48 115.31 115.69 3dx5 h LEU 229 Ca -0.44 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3dx5 h LEU 229 Cb 1.28 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3dx5 h LEU 229 CO 0.38 0.21 0.00 0.49 0.09 0.00 0.00 178.44 179.61 3dx5 n PHE 230 N -4.89 0.11 0.00 1.13 3.72 -1.26 -3.82 117.46 112.45 3dx5 n PHE 230 Ca 0.16 -0.05 0.09 0.00 -0.05 0.00 0.00 57.45 57.60 3dx5 n PHE 230 Cb 0.42 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.82 3dx5 n PHE 230 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3dx5 n GLU 231 N 0.15 0.65 -1.35 -1.08 2.13 -0.56 -5.03 120.64 115.55 3dx5 n GLU 231 Ca 0.17 -0.13 -0.08 0.00 0.66 0.00 0.00 57.16 57.79 3dx5 n GLU 231 Cb 0.32 -1.57 0.04 0.00 0.27 0.00 0.00 31.44 30.49 3dx5 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dx5 n GLY 232 N 1.28 0.85 0.09 8.31 0.00 -1.18 -4.90 105.19 109.63 3dx5 n GLY 232 Ca -0.05 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 3dx5 n GLY 232 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dx5 h ILE 233 N -0.41 1.58 -3.60 -0.61 6.09 -1.37 -3.44 117.51 115.73 3dx5 h ILE 233 Ca -0.11 -3.16 -0.52 0.00 -1.37 0.00 0.00 64.86 59.70 3dx5 h ILE 233 Cb 0.43 2.88 0.04 0.00 0.47 0.00 0.00 36.82 40.64 3dx5 h ILE 233 CO 0.13 0.91 0.63 -0.69 -3.07 0.00 0.00 178.15 176.06 3dx5 s VAL 234 N -2.72 3.04 -0.81 2.19 1.01 -1.26 -4.96 120.40 116.89 3dx5 s VAL 234 Ca -0.02 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 3dx5 s VAL 234 Cb 0.08 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.98 3dx5 s VAL 234 CO 0.86 0.18 1.01 0.21 0.00 0.00 0.00 175.10 177.36 3dx5 s ASN 235 N -0.09 6.46 0.44 3.32 3.84 -1.26 -4.87 114.94 122.78 3dx5 s ASN 235 Ca 0.53 -1.73 0.25 0.00 0.21 0.00 0.00 52.86 52.12 3dx5 s ASN 235 Cb -0.37 -2.38 0.82 0.00 -0.55 0.00 0.00 41.25 38.76 3dx5 s ASN 235 CO 0.44 -1.15 1.78 1.88 -2.79 0.00 0.00 177.10 177.26 3dx5 h TYR 236 N 9.02 0.00 -0.19 0.43 -1.99 -1.93 -2.87 116.97 119.44 3dx5 h TYR 236 Ca -0.02 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.72 3dx5 h TYR 236 Cb 1.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 3dx5 h TYR 236 CO 1.07 0.18 0.09 -0.44 -0.00 0.00 0.00 178.16 179.06 3dx5 h ASP 237 N 0.00 0.14 -0.40 3.88 3.32 -1.92 0.88 116.42 122.32 3dx5 h ASP 237 Ca -0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3dx5 h ASP 237 Cb 0.82 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3dx5 h ASP 237 CO 0.02 0.11 0.01 -0.33 -1.72 0.00 0.00 179.24 177.34 3dx5 h GLU 238 N 0.20 0.70 0.35 3.56 5.08 -1.98 -2.35 114.58 120.15 3dx5 h GLU 238 Ca 0.08 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3dx5 h GLU 238 Cb 0.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3dx5 h GLU 238 CO -0.05 0.78 -0.19 0.82 -1.00 0.00 0.00 179.01 179.37 3dx5 h ILE 239 N 0.54 0.60 -0.38 3.13 2.04 -1.38 -2.88 117.51 119.17 3dx5 h ILE 239 Ca 0.12 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3dx5 h ILE 239 Cb 0.45 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3dx5 h ILE 239 CO 0.02 0.00 0.06 0.40 0.00 0.00 0.00 178.15 178.63 3dx5 h ILE 240 N -0.51 1.19 -0.85 -0.67 2.04 -0.84 -1.14 117.51 116.74 3dx5 h ILE 240 Ca -0.04 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.15 3dx5 h ILE 240 Cb 0.41 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3dx5 h ILE 240 CO 0.06 0.25 0.56 1.56 0.00 0.00 0.00 178.15 180.57 3dx5 h GLN 241 N 0.56 1.00 -0.08 2.37 4.20 -1.36 0.66 115.11 122.47 3dx5 h GLN 241 Ca 0.13 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 3dx5 h GLN 241 Cb 0.27 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.83 3dx5 h GLN 241 CO 0.00 0.66 -0.38 0.93 -0.67 0.00 0.00 178.83 179.37 3dx5 h GLU 242 N 1.03 0.39 -0.00 1.46 4.39 -1.12 -3.37 114.58 117.36 3dx5 h GLU 242 Ca 0.34 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3dx5 h GLU 242 Cb 0.06 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3dx5 h GLU 242 CO -0.11 0.96 -0.59 1.33 -1.16 0.00 0.00 179.01 179.44 3dx5 n VAL 243 N -4.36 0.00 0.30 3.13 0.24 -0.51 -4.37 118.33 112.76 3dx5 n VAL 243 Ca -0.08 -0.01 0.19 0.00 -2.04 0.00 0.00 64.34 62.40 3dx5 n VAL 243 Cb 0.54 0.44 0.96 0.00 -1.47 0.00 0.00 33.84 34.31 3dx5 n VAL 243 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3dx5 h ARG 244 N 0.12 0.00 0.00 7.34 0.11 -1.04 -1.27 114.38 119.64 3dx5 h ARG 244 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dx5 h ARG 244 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 3dx5 h ARG 244 CO 0.00 0.00 -0.89 0.38 0.10 0.00 0.00 179.97 179.56 3dx5 h ASP 245 N 0.00 0.00 -4.25 0.08 2.03 -1.85 -3.47 116.42 108.97 3dx5 h ASP 245 Ca 0.00 -0.11 -0.48 0.00 -0.73 0.00 0.00 57.03 55.71 3dx5 h ASP 245 Cb 0.13 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 38.75 3dx5 h ASP 245 CO 0.00 0.05 0.32 0.42 -1.03 0.00 0.00 179.24 179.00 3dx5 s THR 246 N -3.29 2.92 -0.39 1.15 -4.23 -0.48 -4.95 115.64 106.38 3dx5 s THR 246 Ca 0.02 0.30 0.15 0.00 -1.18 0.00 0.00 61.69 60.98 3dx5 s THR 246 Cb 0.11 -3.00 0.77 0.00 1.34 0.00 0.00 72.50 71.73 3dx5 s THR 246 CO 0.77 -0.39 1.70 -0.67 -0.54 0.00 0.00 174.62 175.49 3dx5 n ASP 247 N -3.54 5.38 -4.88 3.99 2.03 -1.26 -4.87 116.55 113.41 3dx5 n ASP 247 Ca 0.07 -2.86 -0.33 0.00 0.52 0.00 0.00 54.79 52.19 3dx5 n ASP 247 Cb 0.56 -0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 3dx5 n ASP 247 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3dx5 s HIS 248 N -2.62 3.51 0.41 -0.67 3.76 -1.26 -5.00 115.29 113.41 3dx5 s HIS 248 Ca 0.53 0.76 -0.24 0.00 -0.15 0.00 0.00 55.06 55.96 3dx5 s HIS 248 Cb 0.39 -2.16 -0.09 0.00 1.11 0.00 0.00 32.58 31.84 3dx5 s HIS 248 CO 0.17 0.41 1.09 -0.06 -0.85 0.00 0.00 174.74 175.50 3dx5 s PHE 249 N -1.60 3.18 -0.21 1.40 0.40 -1.26 -4.45 117.98 115.43 3dx5 s PHE 249 Ca 0.40 1.61 -0.03 0.00 -0.60 0.00 0.00 56.93 58.31 3dx5 s PHE 249 Cb -0.13 -3.22 -0.00 0.00 0.51 0.00 0.00 43.02 40.18 3dx5 s PHE 249 CO 0.21 -0.89 -0.08 0.00 0.70 0.00 0.00 175.22 175.16 3dx5 s ALA 250 N -1.58 2.70 0.14 5.36 0.00 -0.38 -0.84 121.76 127.16 3dx5 s ALA 250 Ca 0.58 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.12 3dx5 s ALA 250 Cb -0.25 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.22 3dx5 s ALA 250 CO 0.31 -0.41 0.74 -1.12 0.00 0.00 0.00 175.76 175.28 3dx5 s SER 251 N 1.43 7.32 -0.95 0.00 0.01 -0.41 -1.08 113.70 120.01 3dx5 s SER 251 Ca 0.06 1.56 -0.21 0.00 1.31 0.00 0.00 55.95 58.67 3dx5 s SER 251 Cb -0.14 -2.47 0.09 0.00 0.21 0.00 0.00 66.02 63.71 3dx5 s SER 251 CO -0.06 0.20 1.26 -0.76 0.41 0.00 0.00 173.24 174.30 3dx5 s LEU 252 N -1.04 4.33 -1.28 2.44 1.43 -0.55 -0.66 118.68 123.34 3dx5 s LEU 252 Ca 0.35 -1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 51.57 3dx5 s LEU 252 Cb -0.22 -2.47 0.09 0.00 0.03 0.00 0.00 46.19 43.62 3dx5 s LEU 252 CO 0.25 -1.29 1.69 1.21 0.23 0.00 0.00 176.35 178.44 3dx5 n GLU 253 N 7.64 3.23 -3.23 1.70 2.13 -0.79 -4.41 120.64 126.93 3dx5 n GLU 253 Ca 0.26 -3.40 -0.39 0.00 0.66 0.00 0.00 57.16 54.29 3dx5 n GLU 253 Cb 0.50 -3.37 -0.07 0.00 0.27 0.00 0.00 31.44 28.77 3dx5 n GLU 253 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3dx5 s TRP 254 N 3.49 3.37 -1.52 4.31 -0.11 -1.26 -4.68 118.94 122.55 3dx5 s TRP 254 Ca 0.51 0.80 0.13 0.00 1.22 0.00 0.00 56.10 58.76 3dx5 s TRP 254 Cb 0.03 -2.69 0.17 0.00 -1.50 0.00 0.00 33.47 29.48 3dx5 s TRP 254 CO 0.05 -0.11 1.02 1.19 -4.62 0.00 0.00 176.95 174.48 3dx5 n PHE 255 N 4.82 0.14 -1.82 5.86 3.72 -1.26 -4.20 117.46 124.72 3dx5 n PHE 255 Ca -0.04 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3dx5 n PHE 255 Cb 0.50 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3dx5 n PHE 255 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dx5 n GLY 256 N 0.74 0.24 3.86 1.37 0.00 -1.26 -5.02 105.19 105.11 3dx5 n GLY 256 Ca 0.09 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 3dx5 n GLY 256 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dx5 s HIS 257 N -0.05 3.15 -1.28 1.61 3.76 -1.26 -4.38 115.29 116.84 3dx5 s HIS 257 Ca 0.00 1.08 -0.07 0.00 -0.15 0.00 0.00 55.06 55.92 3dx5 s HIS 257 Cb 0.00 -3.09 -0.00 0.00 1.11 0.00 0.00 32.58 30.59 3dx5 s HIS 257 CO 0.00 -1.39 0.62 0.09 -0.85 0.00 0.00 174.74 173.22 3dx5 n ASN 258 N -3.15 -2.36 -0.23 1.40 5.03 -1.26 -4.82 115.26 109.87 3dx5 n ASN 258 Ca 0.07 -0.96 0.02 0.00 0.87 0.00 0.00 54.58 54.58 3dx5 n ASN 258 Cb 0.57 -3.45 0.14 0.00 -1.02 0.00 0.00 39.78 36.02 3dx5 n ASN 258 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dx5 h ALA 259 N 0.82 0.93 -0.48 5.41 0.00 -1.87 -1.95 119.26 122.12 3dx5 h ALA 259 Ca -0.64 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3dx5 h ALA 259 Cb 1.36 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3dx5 h ALA 259 CO 0.56 -0.16 0.27 0.87 0.00 0.00 0.00 179.25 180.79 3dx5 h LYS 260 N 0.47 0.67 -0.26 0.00 1.57 -1.95 0.51 116.57 117.58 3dx5 h LYS 260 Ca 0.35 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3dx5 h LYS 260 Cb 0.46 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3dx5 h LYS 260 CO -0.33 0.52 0.14 -0.44 -0.57 0.00 0.00 179.45 178.78 3dx5 h ASP 261 N 0.64 0.32 -0.28 0.86 3.32 -1.84 -0.77 116.42 118.67 3dx5 h ASP 261 Ca 0.17 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3dx5 h ASP 261 Cb 0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3dx5 h ASP 261 CO -0.03 0.31 0.11 0.40 -1.72 0.00 0.00 179.24 178.31 3dx5 h ILE 262 N 0.30 1.18 -0.35 0.35 1.08 -1.14 -1.76 117.51 117.17 3dx5 h ILE 262 Ca 0.09 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 3dx5 h ILE 262 Cb 0.06 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3dx5 h ILE 262 CO -0.01 0.18 0.00 -0.07 -0.69 0.00 0.00 178.15 177.56 3dx5 h LEU 263 N 0.31 0.61 -0.20 1.44 3.38 -0.84 -0.36 115.31 119.66 3dx5 h LEU 263 Ca 0.09 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3dx5 h LEU 263 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3dx5 h LEU 263 CO -0.01 0.77 0.09 0.50 0.09 0.00 0.00 178.44 179.88 3dx5 h LYS 264 N 0.43 0.19 -0.82 1.13 3.64 -1.13 -2.76 116.57 117.25 3dx5 h LYS 264 Ca 0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3dx5 h LYS 264 Cb 0.45 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3dx5 h LYS 264 CO 0.02 0.12 0.44 0.00 -2.27 0.00 0.00 179.45 177.76 3dx5 h ALA 265 N 1.11 1.06 0.00 5.00 0.00 -1.12 -2.96 119.26 122.34 3dx5 h ALA 265 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dx5 h ALA 265 Cb 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3dx5 h ALA 265 CO -0.06 0.58 0.00 -1.91 0.00 0.00 0.00 179.25 177.85 3dx5 n GLU 266 N -4.38 0.00 0.00 0.00 4.07 -0.16 -2.28 120.64 117.89 3dx5 n GLU 266 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 3dx5 n GLU 266 Cb 0.10 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 3dx5 n GLU 266 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3dx5 n LYS 268 N 0.63 0.00 -0.09 5.31 5.02 -1.12 -0.49 118.16 127.42 3dx5 n LYS 268 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3dx5 n LYS 268 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3dx5 n LYS 268 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3dx5 h VAL 269 N 0.00 1.30 -0.78 -0.18 3.04 -1.76 -3.12 116.25 114.75 3dx5 h VAL 269 Ca 0.00 -1.50 0.05 0.00 -1.01 0.00 0.00 66.70 64.24 3dx5 h VAL 269 Cb 0.00 1.63 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 3dx5 h VAL 269 CO 0.00 0.48 0.48 -0.07 -1.01 0.00 0.00 177.57 177.45 3dx5 h LEU 270 N 0.44 0.77 -1.80 3.16 3.38 -1.07 0.08 115.31 120.27 3dx5 h LEU 270 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3dx5 h LEU 270 Cb 0.90 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3dx5 h LEU 270 CO 0.08 0.51 -0.12 0.74 0.09 0.00 0.00 178.44 179.74 3dx5 h THR 271 N 0.91 0.46 -0.00 0.22 2.02 -1.82 -3.32 112.91 111.38 3dx5 h THR 271 Ca 0.33 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3dx5 h THR 271 Cb 0.10 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3dx5 h THR 271 CO -0.15 0.12 -0.07 0.59 0.37 0.00 0.00 175.52 176.38 3dx5 n ASN 272 N -3.49 0.65 -4.78 4.18 3.02 -0.68 -5.06 115.26 109.11 3dx5 n ASN 272 Ca -0.01 -0.82 -0.34 0.00 -0.03 0.00 0.00 54.58 53.37 3dx5 n ASN 272 Cb 0.27 0.53 0.01 0.00 -0.61 0.00 0.00 39.78 39.98 3dx5 n ASN 272 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dx5 s ARG 273 N -0.78 3.24 0.00 3.52 3.52 -0.07 -5.07 118.95 123.31 3dx5 s ARG 273 Ca 0.02 1.46 0.05 0.00 -0.13 0.00 0.00 55.73 57.12 3dx5 s ARG 273 Cb 0.02 -2.00 0.04 0.00 -1.56 0.00 0.00 34.95 31.44 3dx5 s ARG 273 CO 0.07 -0.91 0.64 0.27 -0.81 0.00 0.00 175.30 174.57