#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miq h GLY 4 N 0.00 0.00 -0.88 3.14 0.00 -1.77 -2.85 103.07 100.71 3miq h GLY 4 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.54 3miq h GLY 4 CO 0.00 0.00 -0.13 -2.09 0.00 0.00 0.00 176.54 174.32 3miq h GLU 5 N 0.00 0.01 0.00 4.80 4.81 -1.91 -0.89 114.58 121.40 3miq h GLU 5 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3miq h GLU 5 Cb 0.46 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3miq h GLU 5 CO 0.01 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 178.68 3miq n GLU 6 N -5.55 0.11 0.17 1.92 1.02 -1.08 -1.40 120.64 115.84 3miq n GLU 6 Ca 0.17 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 3miq n GLU 6 Cb 0.57 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.59 3miq n GLU 6 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3miq h LEU 7 N 0.00 0.00 -2.62 -4.62 3.38 -1.39 -3.32 115.31 106.74 3miq h LEU 7 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3miq h LEU 7 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3miq h LEU 7 CO 0.00 0.06 0.00 0.49 0.09 0.00 0.00 178.44 179.08 3miq n PHE 8 N -2.98 0.56 -0.31 1.13 3.01 -0.49 -4.54 117.46 113.85 3miq n PHE 8 Ca 0.02 -0.41 0.30 0.00 1.01 0.00 0.00 57.45 58.37 3miq n PHE 8 Cb 0.56 -0.01 0.65 0.00 -0.01 0.00 0.00 39.48 40.67 3miq n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3miq h THR 9 N 3.02 0.47 -1.71 4.37 1.35 -1.68 -3.37 112.91 115.35 3miq h THR 9 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3miq h THR 9 Cb 0.81 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3miq h THR 9 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3miq n GLY 10 N -1.65 6.23 3.70 5.82 0.00 -1.26 -4.81 105.19 113.22 3miq n GLY 10 Ca 0.25 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3miq n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3miq s VAL 11 N 0.04 3.92 -0.05 1.61 1.01 -1.26 -4.52 120.40 121.14 3miq s VAL 11 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.34 3miq s VAL 11 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3miq s VAL 11 CO 0.00 0.03 -0.18 -0.69 0.00 0.00 0.00 175.10 174.26 3miq s VAL 12 N 1.92 2.71 0.39 2.92 1.01 -0.79 -4.99 120.40 123.56 3miq s VAL 12 Ca 0.60 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 3miq s VAL 12 Cb -0.29 -2.04 -0.10 0.00 0.00 0.00 0.00 36.38 33.95 3miq s VAL 12 CO 0.26 0.58 0.95 -2.84 0.00 0.00 0.00 175.10 174.05 3miq s PRO 13 N -0.52 4.36 -0.03 2.72 0.02 -1.26 -1.41 135.00 138.88 3miq s PRO 13 Ca 0.07 1.22 0.06 0.00 0.02 0.00 0.00 61.00 62.37 3miq s PRO 13 Cb -0.11 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 3miq s PRO 13 CO 0.01 0.08 -0.20 0.42 -0.33 0.00 0.00 177.00 176.98 3miq s ILE 14 N -1.94 1.63 -0.04 2.83 1.01 0.21 -0.25 121.20 124.64 3miq s ILE 14 Ca 0.57 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.41 3miq s ILE 14 Cb -0.13 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 3miq s ILE 14 CO 0.18 0.46 -0.18 -0.76 0.00 0.00 0.00 174.94 174.64 3miq s LEU 15 N -0.35 1.95 -0.10 2.97 1.43 0.03 -2.34 118.68 122.28 3miq s LEU 15 Ca 0.04 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3miq s LEU 15 Cb -0.09 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.13 3miq s LEU 15 CO 0.00 0.18 -0.12 -0.69 0.23 0.00 0.00 176.35 175.95 3miq s VAL 16 N -0.06 1.22 -0.09 -1.59 1.01 -0.45 -0.16 120.40 120.28 3miq s VAL 16 Ca -0.02 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3miq s VAL 16 Cb -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3miq s VAL 16 CO 0.02 0.39 -0.17 -1.61 0.00 0.00 0.00 175.10 173.73 3miq s GLU 17 N 1.16 2.30 -0.04 2.72 0.41 0.37 0.23 118.70 125.84 3miq s GLU 17 Ca -0.04 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 53.90 3miq s GLU 17 Cb -0.14 -1.83 0.03 0.00 -1.78 0.00 0.00 34.13 30.41 3miq s GLU 17 CO -0.03 0.06 0.02 -1.17 -0.49 0.00 0.00 175.26 173.65 3miq s LEU 18 N 0.62 0.74 -0.23 1.80 2.96 0.08 0.13 118.68 124.78 3miq s LEU 18 Ca -0.14 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 3miq s LEU 18 Cb -0.16 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 3miq s LEU 18 CO 0.04 -0.16 0.06 -1.81 -1.32 0.00 0.00 176.35 173.16 3miq s ASP 19 N 1.56 5.22 0.08 3.68 -0.00 0.03 -0.64 116.67 126.59 3miq s ASP 19 Ca -0.02 -0.13 0.09 0.00 -0.00 0.00 0.00 52.55 52.48 3miq s ASP 19 Cb -0.13 -1.92 -0.03 0.00 -0.00 0.00 0.00 42.92 40.84 3miq s ASP 19 CO -0.03 0.03 -0.24 -0.83 -0.00 0.00 0.00 175.17 174.10 3miq s GLY 20 N 1.23 1.34 -0.23 0.21 0.00 0.24 -0.47 107.32 109.63 3miq s GLY 20 Ca 0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 3miq s GLY 20 CO 0.03 -1.20 0.07 -0.35 0.00 0.00 0.00 173.10 171.65 3miq s ASP 21 N -1.56 3.23 -0.27 1.64 -1.08 -0.47 -1.13 116.67 117.03 3miq s ASP 21 Ca 0.10 -1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 51.04 3miq s ASP 21 Cb -0.10 -0.60 0.03 0.00 -1.46 0.00 0.00 42.92 40.80 3miq s ASP 21 CO 0.03 -0.35 -0.03 -0.69 0.52 0.00 0.00 175.17 174.65 3miq s VAL 22 N 1.86 3.01 -1.46 1.11 1.01 -0.53 0.68 120.40 126.08 3miq s VAL 22 Ca 0.03 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 3miq s VAL 22 Cb -0.17 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.64 3miq s VAL 22 CO -0.16 0.08 0.77 0.59 0.00 0.00 0.00 175.10 176.38 3miq n ASN 23 N 4.67 -5.53 0.00 3.32 4.13 0.34 -0.73 115.26 121.46 3miq n ASN 23 Ca -0.15 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.67 3miq n ASN 23 Cb 0.46 -4.44 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 3miq n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3miq n GLY 24 N -1.59 1.02 3.59 7.41 0.00 -1.26 -4.97 105.19 109.38 3miq n GLY 24 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3miq n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3miq s HIS 25 N -2.85 2.91 0.32 1.61 3.76 0.09 -5.03 115.29 116.10 3miq s HIS 25 Ca 0.00 0.65 -0.09 0.00 -0.15 0.00 0.00 55.06 55.47 3miq s HIS 25 Cb 0.00 -4.11 -0.06 0.00 1.11 0.00 0.00 32.58 29.51 3miq s HIS 25 CO 0.00 -1.11 0.65 0.15 -0.85 0.00 0.00 174.74 173.58 3miq s LYS 26 N 4.02 3.76 0.01 1.40 1.02 -1.26 -1.45 119.74 127.24 3miq s LYS 26 Ca 0.43 0.30 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 3miq s LYS 26 Cb -0.09 -2.53 0.10 0.00 -0.52 0.00 0.00 37.83 34.78 3miq s LYS 26 CO 0.27 0.14 0.96 -0.59 -0.92 0.00 0.00 175.35 175.21 3miq s PHE 27 N -2.11 -0.26 0.03 3.18 -0.71 -0.28 -4.96 117.98 112.87 3miq s PHE 27 Ca 0.48 0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.50 3miq s PHE 27 Cb -0.11 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 3miq s PHE 27 CO 0.27 -0.56 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.38 3miq s SER 28 N -2.57 1.02 -0.00 1.98 0.01 -1.26 -0.59 113.70 112.28 3miq s SER 28 Ca 0.07 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3miq s SER 28 Cb -0.01 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.19 3miq s SER 28 CO -0.06 -0.08 -0.04 -0.69 0.41 0.00 0.00 173.24 172.77 3miq s VAL 29 N -0.97 0.32 0.05 3.43 1.01 0.19 -1.43 120.40 123.00 3miq s VAL 29 Ca -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3miq s VAL 29 Cb -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3miq s VAL 29 CO 0.01 0.06 -0.19 -0.44 0.00 0.00 0.00 175.10 174.54 3miq s SER 30 N -0.19 2.23 -0.01 3.32 0.01 -0.29 -0.74 113.70 118.03 3miq s SER 30 Ca 0.01 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.75 3miq s SER 30 Cb -0.02 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 3miq s SER 30 CO -0.00 0.10 -0.05 -0.83 0.41 0.00 0.00 173.24 172.87 3miq s GLY 31 N -1.31 0.26 0.10 3.44 0.00 0.13 -0.94 107.32 109.00 3miq s GLY 31 Ca 0.05 -0.19 0.09 0.00 0.00 0.00 0.00 44.72 44.68 3miq s GLY 31 CO 0.02 -0.10 -0.24 -0.54 0.00 0.00 0.00 173.10 172.24 3miq s GLU 32 N 0.01 1.37 0.00 2.90 2.02 -1.00 -1.34 118.70 122.66 3miq s GLU 32 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.80 3miq s GLU 32 Cb -0.03 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.51 3miq s GLU 32 CO -0.00 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.10 3miq n GLY 33 N 1.24 -0.75 3.04 -1.39 0.00 -0.99 -1.79 105.19 104.55 3miq n GLY 33 Ca -0.18 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 3miq n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3miq s GLU 34 N -2.00 0.55 0.12 1.61 2.02 -0.65 0.65 118.70 120.99 3miq s GLU 34 Ca 0.00 -0.61 0.10 0.00 0.02 0.00 0.00 54.97 54.49 3miq s GLU 34 Cb 0.00 -0.40 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 3miq s GLU 34 CO 0.00 0.09 -0.25 0.20 0.02 0.00 0.00 175.26 175.32 3miq s GLY 35 N -1.14 1.59 -0.39 -1.39 0.00 -0.50 -1.63 107.32 103.85 3miq s GLY 35 Ca -0.05 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.26 3miq s GLY 35 CO 0.00 -1.40 0.26 -0.35 0.00 0.00 0.00 173.10 171.62 3miq s ASP 36 N -2.00 2.61 0.00 1.64 -1.08 0.16 -1.89 116.67 116.11 3miq s ASP 36 Ca 0.15 -2.58 0.00 0.00 -0.52 0.00 0.00 52.55 49.60 3miq s ASP 36 Cb -0.10 -0.53 0.00 0.00 -1.46 0.00 0.00 42.92 40.83 3miq s ASP 36 CO 0.06 -0.25 0.93 0.00 0.52 0.00 0.00 175.17 176.43 3miq n ALA 37 N 3.53 0.86 0.02 3.66 0.00 -1.26 -0.78 120.51 126.54 3miq n ALA 37 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 3miq n ALA 37 Cb 0.40 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 3miq n ALA 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3miq h THR 38 N 0.00 1.21 -0.44 0.00 2.02 -1.88 -3.18 112.91 110.64 3miq h THR 38 Ca 0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3miq h THR 38 Cb 0.14 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3miq h THR 38 CO 0.00 0.25 0.00 -1.22 0.37 0.00 0.00 175.52 174.92 3miq n TYR 39 N -4.92 0.58 -3.61 3.16 0.53 0.04 -4.93 117.16 108.02 3miq n TYR 39 Ca -0.08 -0.29 -0.26 0.00 -1.02 0.00 0.00 57.90 56.24 3miq n TYR 39 Cb 0.24 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.53 3miq n TYR 39 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3miq n GLY 40 N 1.35 -0.47 3.55 2.72 0.00 -0.17 -4.75 105.19 107.42 3miq n GLY 40 Ca 0.18 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3miq n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3miq s LYS 41 N -6.26 3.37 0.00 1.61 2.20 -1.02 -1.57 119.74 118.06 3miq s LYS 41 Ca 0.49 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.65 3miq s LYS 41 Cb -0.27 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.19 3miq s LYS 41 CO 0.61 0.41 -0.15 -0.51 -0.36 0.00 0.00 175.35 175.35 3miq s LEU 42 N -0.10 2.74 -0.07 5.43 1.43 -0.11 -0.67 118.68 127.33 3miq s LEU 42 Ca 0.02 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3miq s LEU 42 Cb -0.13 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.53 3miq s LEU 42 CO 0.02 0.29 0.00 0.42 0.23 0.00 0.00 176.35 177.32 3miq s THR 43 N -0.87 0.35 0.01 5.49 -4.23 -0.64 -2.01 115.64 113.73 3miq s THR 43 Ca 0.14 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 3miq s THR 43 Cb -0.11 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.23 3miq s THR 43 CO 0.04 0.25 0.17 -0.76 -0.54 0.00 0.00 174.62 173.78 3miq s LEU 44 N 1.93 1.45 -0.10 4.79 1.43 -0.70 -1.64 118.68 125.85 3miq s LEU 44 Ca 0.04 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3miq s LEU 44 Cb -0.12 0.78 0.01 0.00 0.03 0.00 0.00 46.19 46.89 3miq s LEU 44 CO -0.05 -0.41 -0.15 -0.75 0.23 0.00 0.00 176.35 175.22 3miq s LYS 45 N -1.55 2.17 -0.10 1.70 2.20 -0.74 -0.11 119.74 123.32 3miq s LYS 45 Ca -0.13 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 3miq s LYS 45 Cb -0.06 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.42 3miq s LYS 45 CO 0.01 -0.02 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.86 3miq s PHE 46 N 0.85 2.95 0.01 4.03 0.40 0.14 -2.38 117.98 123.98 3miq s PHE 46 Ca -0.10 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3miq s PHE 46 Cb -0.15 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 3miq s PHE 46 CO 0.01 0.17 -0.21 0.42 0.70 0.00 0.00 175.22 176.31 3miq s ILE 47 N -0.36 2.55 -0.41 0.64 -1.09 -0.11 -0.48 121.20 121.94 3miq s ILE 47 Ca 0.05 -1.12 -0.22 0.00 -2.23 0.00 0.00 60.65 57.13 3miq s ILE 47 Cb -0.12 -2.00 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 3miq s ILE 47 CO 0.02 0.45 0.74 0.00 -1.23 0.00 0.00 174.94 174.93 3miq n THR 49 N 5.91 0.00 0.05 0.00 -2.24 -0.52 -3.68 114.28 113.81 3miq n THR 49 Ca 0.01 -0.06 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 3miq n THR 49 Cb 0.48 -0.25 0.11 0.00 -2.10 0.00 0.00 70.33 68.57 3miq n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3miq n THR 50 N -0.82 0.64 0.00 4.28 -2.24 -1.25 -4.94 114.28 109.95 3miq n THR 50 Ca 0.20 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3miq n THR 50 Cb 0.20 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3miq n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3miq n GLY 51 N 0.51 0.10 3.75 3.38 0.00 -1.24 -4.98 105.19 106.71 3miq n GLY 51 Ca 0.09 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 3miq n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3miq s LYS 52 N 0.00 4.51 -0.06 1.61 2.20 -1.26 -4.33 119.74 122.41 3miq s LYS 52 Ca 0.00 1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 3miq s LYS 52 Cb 0.00 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3miq s LYS 52 CO 0.00 0.37 1.20 -1.17 -0.36 0.00 0.00 175.35 175.39 3miq s LEU 53 N -0.37 4.27 0.00 5.43 2.96 -1.26 -4.93 118.68 124.79 3miq s LEU 53 Ca 0.38 1.81 0.28 0.00 -0.22 0.00 0.00 54.13 56.38 3miq s LEU 53 Cb -0.21 -3.56 1.68 0.00 0.50 0.00 0.00 46.19 44.60 3miq s LEU 53 CO 0.24 -0.59 2.03 -0.81 -1.32 0.00 0.00 176.35 175.90 3miq n PRO 54 N 5.25 0.86 -4.18 0.98 -0.04 -1.26 -4.78 135.00 131.83 3miq n PRO 54 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 3miq n PRO 54 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 3miq n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3miq s VAL 55 N -2.03 0.52 0.36 0.52 -7.23 -1.26 -4.69 120.40 106.60 3miq s VAL 55 Ca 0.42 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 3miq s VAL 55 Cb 0.19 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 3miq s VAL 55 CO 0.33 -0.69 1.07 -2.84 -0.31 0.00 0.00 175.10 172.66 3miq s PRO 56 N -3.91 4.30 0.22 4.82 0.02 -1.26 -4.92 135.00 134.27 3miq s PRO 56 Ca 0.17 1.62 -0.08 0.00 0.02 0.00 0.00 61.00 62.73 3miq s PRO 56 Cb 0.06 -2.75 0.34 0.00 0.02 0.00 0.00 34.50 32.17 3miq s PRO 56 CO -0.02 -0.05 1.72 -1.49 -0.33 0.00 0.00 177.00 176.84 3miq h TRP 57 N 2.91 0.31 -0.12 6.54 4.06 -1.97 -1.91 115.95 125.78 3miq h TRP 57 Ca -0.48 0.04 0.03 0.00 2.06 0.00 0.00 58.89 60.54 3miq h TRP 57 Cb 1.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3miq h TRP 57 CO 0.58 0.01 0.20 -1.35 -3.56 0.00 0.00 178.44 174.32 3miq h PRO 58 N 0.33 0.00 0.00 0.49 0.11 -1.90 0.14 132.00 131.18 3miq h PRO 58 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3miq h PRO 58 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3miq h PRO 58 CO -0.39 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.65 3miq n THR 59 N -3.46 0.67 0.40 -1.15 -2.24 -0.72 -2.99 114.28 104.79 3miq n THR 59 Ca 0.00 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 3miq n THR 59 Cb 0.30 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.56 3miq n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3miq n LEU 60 N -1.94 0.45 -0.02 3.22 4.77 0.50 -4.61 117.00 119.37 3miq n LEU 60 Ca 0.04 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 3miq n LEU 60 Cb 0.28 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3miq n LEU 60 CO 0.22 0.06 0.68 0.58 -1.33 0.00 0.00 177.39 177.61 3miq h VAL 61 N 0.00 0.36 0.00 4.08 2.07 -1.55 0.13 116.25 121.34 3miq h VAL 61 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3miq h VAL 61 Cb 0.81 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3miq h VAL 61 CO 0.00 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 178.15 3miq h THR 62 N -0.31 0.83 0.06 2.57 1.35 -1.81 -2.48 112.91 113.11 3miq h THR 62 Ca 0.12 -0.58 -0.14 0.00 -0.55 0.00 0.00 66.41 65.26 3miq h THR 62 Cb 0.49 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3miq h THR 62 CO -0.36 0.15 -0.59 0.74 -0.25 0.00 0.00 175.52 175.21 3miq h THR 63 N 0.00 1.51 0.00 6.82 2.02 -1.45 -3.46 112.91 118.36 3miq h THR 63 Ca -0.00 -2.28 -0.02 0.00 0.77 0.00 0.00 66.41 64.88 3miq h THR 63 Cb 0.33 2.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3miq h THR 63 CO 0.02 0.64 0.79 0.18 0.37 0.00 0.00 175.52 177.52 3miq n LEU 64 N -4.26 0.32 0.00 2.58 4.77 0.29 -5.02 117.00 115.69 3miq n LEU 64 Ca -0.12 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 3miq n LEU 64 Cb 0.70 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3miq n LEU 64 CO 0.45 -0.74 0.00 1.33 -1.33 0.00 0.00 177.39 177.10 3miq n VAL 68 N 3.93 0.00 1.24 4.08 0.24 -1.26 -5.04 118.33 121.52 3miq n VAL 68 Ca 0.03 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.43 3miq n VAL 68 Cb 0.03 0.00 0.60 0.00 -1.47 0.00 0.00 33.84 32.99 3miq n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3miq n GLN 69 N 0.00 0.60 0.00 7.34 6.02 -1.26 -2.13 117.38 127.94 3miq n GLN 69 Ca 0.00 0.01 0.09 0.00 -0.01 0.00 0.00 57.00 57.09 3miq n GLN 69 Cb 0.00 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.18 3miq n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3miq n PHE 71 N -1.43 1.27 -2.32 0.00 3.72 -0.91 -4.70 117.46 113.09 3miq n PHE 71 Ca 0.06 -0.52 -0.41 0.00 -0.05 0.00 0.00 57.45 56.54 3miq n PHE 71 Cb 0.19 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3miq n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3miq s SER 72 N -0.86 7.04 -0.40 4.37 0.01 -1.05 -4.13 113.70 118.67 3miq s SER 72 Ca 0.45 2.38 -0.29 0.00 1.31 0.00 0.00 55.95 59.80 3miq s SER 72 Cb 0.28 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3miq s SER 72 CO 0.23 -0.36 1.29 -0.60 0.41 0.00 0.00 173.24 174.20 3miq s ARG 73 N -0.97 3.72 -0.31 12.44 3.52 -0.49 -4.84 118.95 132.02 3miq s ARG 73 Ca 0.50 0.90 -0.17 0.00 -0.13 0.00 0.00 55.73 56.83 3miq s ARG 73 Cb -0.35 -3.94 -0.02 0.00 -1.56 0.00 0.00 34.95 29.08 3miq s ARG 73 CO 0.42 -1.38 0.46 0.71 -0.81 0.00 0.00 175.30 174.71 3miq s TYR 74 N 4.81 3.22 0.50 5.12 1.51 -1.26 -1.00 117.35 130.24 3miq s TYR 74 Ca 0.55 0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 56.71 3miq s TYR 74 Cb -0.12 -2.77 -0.09 0.00 -0.11 0.00 0.00 41.96 38.87 3miq s TYR 74 CO 0.29 -0.40 0.84 -2.30 -1.11 0.00 0.00 175.55 172.87 3miq n PRO 75 N 5.56 0.95 -0.29 -1.71 -0.02 -1.26 -4.73 135.00 133.51 3miq n PRO 75 Ca -0.06 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 3miq n PRO 75 Cb 0.50 -1.94 0.19 0.00 -0.02 0.00 0.00 33.50 32.23 3miq n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3miq h ASP 76 N 0.89 0.57 0.00 2.55 5.19 -2.01 0.15 116.42 123.77 3miq h ASP 76 Ca -0.45 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3miq h ASP 76 Cb 1.37 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3miq h ASP 76 CO 0.52 0.29 0.00 0.00 -3.12 0.00 0.00 179.24 176.94 3miq n HIS 77 N -4.82 0.00 0.02 4.55 1.44 -1.26 -2.09 115.22 113.06 3miq n HIS 77 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 3miq n HIS 77 Cb 0.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 3miq n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3miq n MET 78 N -0.98 0.68 0.11 -1.40 2.81 0.52 -4.81 117.12 114.05 3miq n MET 78 Ca 0.07 -0.42 0.08 0.00 -1.81 0.00 0.00 57.70 55.63 3miq n MET 78 Cb 0.03 -0.91 0.42 0.00 -0.71 0.00 0.00 33.22 32.06 3miq n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3miq n LYS 79 N -0.19 0.10 -0.28 0.03 5.02 -0.89 -0.49 118.16 121.46 3miq n LYS 79 Ca 0.00 0.58 0.06 0.00 -2.02 0.00 0.00 58.31 56.94 3miq n LYS 79 Cb 0.01 -1.82 0.20 0.00 -0.02 0.00 0.00 35.03 33.40 3miq n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3miq n GLN 80 N -2.04 2.26 0.00 1.97 0.00 -1.26 -3.36 117.38 114.95 3miq n GLN 80 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 57.00 55.37 3miq n GLN 80 Cb 0.04 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.82 3miq n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3miq n HIS 81 N 0.70 0.00 -2.71 2.61 8.25 0.36 -4.65 115.22 119.78 3miq n HIS 81 Ca 0.15 -0.21 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 3miq n HIS 81 Cb 0.45 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3miq n HIS 81 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3miq n ASP 82 N -0.21 5.04 0.01 0.41 -0.08 -1.21 -4.51 116.55 115.99 3miq n ASP 82 Ca 0.00 -2.96 -0.10 0.00 -1.51 0.00 0.00 54.79 50.22 3miq n ASP 82 Cb 0.14 -1.64 -0.04 0.00 2.34 0.00 0.00 41.12 41.92 3miq n ASP 82 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3miq h PHE 83 N 7.14 -0.18 -0.92 -0.67 3.57 -1.91 -3.10 116.94 120.86 3miq h PHE 83 Ca 0.39 0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.06 3miq h PHE 83 Cb 0.84 0.09 -0.16 0.00 2.79 0.00 0.00 35.95 39.51 3miq h PHE 83 CO 1.25 -0.12 -0.30 0.74 -2.23 0.00 0.00 178.31 177.65 3miq h PHE 84 N -0.09 -0.77 -0.18 0.41 0.04 -1.89 -1.15 116.94 113.30 3miq h PHE 84 Ca 0.06 0.09 -0.21 0.00 2.80 0.00 0.00 57.97 60.71 3miq h PHE 84 Cb 0.18 0.48 0.01 0.00 2.20 0.00 0.00 35.95 38.81 3miq h PHE 84 CO -0.18 -0.40 -0.70 0.87 -0.60 0.00 0.00 178.31 177.30 3miq h LYS 85 N -0.02 0.79 0.00 1.51 1.57 -1.83 -3.26 116.57 115.33 3miq h LYS 85 Ca 0.39 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3miq h LYS 85 Cb 0.64 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3miq h LYS 85 CO -0.94 1.23 0.16 0.66 -0.57 0.00 0.00 179.45 179.98 3miq h SER 86 N 0.53 0.00 -0.61 0.86 4.64 -1.13 0.98 113.55 118.82 3miq h SER 86 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3miq h SER 86 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3miq h SER 86 CO 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 3miq n ALA 87 N -1.79 3.28 -2.84 5.18 0.00 -1.16 -4.63 120.51 118.55 3miq n ALA 87 Ca -0.02 -1.71 -0.28 0.00 0.00 0.00 0.00 53.44 51.44 3miq n ALA 87 Cb 0.20 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3miq n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3miq s MET 88 N -2.11 3.49 0.00 0.00 1.00 0.34 -0.41 119.30 121.62 3miq s MET 88 Ca 0.52 -0.42 0.28 0.00 0.00 0.00 0.00 55.69 56.07 3miq s MET 88 Cb 0.35 -2.91 1.03 0.00 0.00 0.00 0.00 34.83 33.30 3miq s MET 88 CO 0.22 0.48 1.73 -0.35 0.00 0.00 0.00 175.02 177.10 3miq n PRO 89 N -0.42 1.59 -0.32 2.03 -0.05 -1.26 -4.26 135.00 132.30 3miq n PRO 89 Ca -0.05 -0.92 -0.08 0.00 -0.05 0.00 0.00 63.50 62.40 3miq n PRO 89 Cb 0.53 -1.48 -0.08 0.00 -0.05 0.00 0.00 33.50 32.43 3miq n PRO 89 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3miq n GLU 90 N 0.09 -0.33 0.00 0.54 4.07 -1.20 -2.13 120.64 121.68 3miq n GLU 90 Ca 0.18 1.21 0.00 0.00 -0.06 0.00 0.00 57.16 58.50 3miq n GLU 90 Cb 0.35 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 3miq n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3miq n GLY 91 N -1.19 2.04 3.18 8.31 0.00 0.46 -4.65 105.19 113.33 3miq n GLY 91 Ca 0.02 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3miq n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3miq s TYR 92 N -1.94 1.02 -0.21 1.61 -0.85 0.04 -0.41 117.35 116.61 3miq s TYR 92 Ca 0.00 -0.73 -0.18 0.00 -0.52 0.00 0.00 57.07 55.64 3miq s TYR 92 Cb 0.00 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.75 3miq s TYR 92 CO 0.00 -0.03 0.52 0.08 -1.52 0.00 0.00 175.55 174.60 3miq s VAL 93 N -2.81 5.10 -0.28 -3.49 1.01 0.12 -1.27 120.40 118.78 3miq s VAL 93 Ca 0.08 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 3miq s VAL 93 Cb -0.00 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3miq s VAL 93 CO -0.01 0.17 -0.01 -1.58 0.00 0.00 0.00 175.10 173.67 3miq s GLN 94 N 1.71 2.76 -0.09 2.72 0.74 0.18 -1.48 119.66 126.19 3miq s GLN 94 Ca 0.24 -1.04 0.01 0.00 0.05 0.00 0.00 55.36 54.61 3miq s GLN 94 Cb -0.15 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 3miq s GLN 94 CO 0.10 -0.48 -0.11 -1.21 -0.55 0.00 0.00 175.29 173.03 3miq s GLU 95 N 1.34 3.01 0.15 1.67 2.02 0.42 -0.87 118.70 126.44 3miq s GLU 95 Ca -0.01 -0.65 0.07 0.00 0.02 0.00 0.00 54.97 54.40 3miq s GLU 95 Cb -0.18 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 3miq s GLU 95 CO -0.02 0.43 -0.15 1.03 0.02 0.00 0.00 175.26 176.58 3miq s ARG 96 N -0.21 1.14 -0.13 1.61 0.52 -0.11 -0.35 118.95 121.42 3miq s ARG 96 Ca 0.01 -1.36 -0.00 0.00 -0.52 0.00 0.00 55.73 53.86 3miq s ARG 96 Cb -0.13 -1.00 0.02 0.00 0.52 0.00 0.00 34.95 34.36 3miq s ARG 96 CO 0.03 0.18 -0.11 0.99 0.02 0.00 0.00 175.30 176.41 3miq s THR 97 N -2.41 1.30 -0.23 0.02 2.01 -0.11 -0.89 115.64 115.33 3miq s THR 97 Ca 0.14 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 3miq s THR 97 Cb -0.03 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 3miq s THR 97 CO 0.04 0.41 0.00 -0.63 -0.69 0.00 0.00 174.62 173.76 3miq s ILE 98 N 1.59 3.76 -0.34 1.82 1.01 0.18 -1.86 121.20 127.36 3miq s ILE 98 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3miq s ILE 98 Cb -0.13 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 3miq s ILE 98 CO -0.09 0.39 0.23 -0.36 0.00 0.00 0.00 174.94 175.11 3miq s PHE 99 N 1.48 3.22 -0.17 3.97 0.08 0.03 -0.96 117.98 125.64 3miq s PHE 99 Ca 0.06 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.63 3miq s PHE 99 Cb -0.15 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 3miq s PHE 99 CO -0.00 -0.37 0.67 -0.06 -0.10 0.00 0.00 175.22 175.35 3miq s PHE 100 N 1.71 3.42 0.23 0.36 0.40 -0.46 -0.61 117.98 123.03 3miq s PHE 100 Ca 0.06 1.03 -0.32 0.00 -0.60 0.00 0.00 56.93 57.11 3miq s PHE 100 Cb -0.17 -2.82 -0.12 0.00 0.51 0.00 0.00 43.02 40.41 3miq s PHE 100 CO 0.10 -0.12 1.64 1.17 0.70 0.00 0.00 175.22 178.70 3miq n LYS 101 N 4.79 2.60 -2.29 0.44 3.00 -0.40 -1.45 118.16 124.85 3miq n LYS 101 Ca -0.01 0.93 -0.18 0.00 -0.00 0.00 0.00 58.31 59.05 3miq n LYS 101 Cb 0.50 -2.73 -0.02 0.00 0.00 0.00 0.00 35.03 32.78 3miq n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3miq n ASP 102 N 3.17 -5.27 0.00 3.14 8.00 -1.26 -4.89 116.55 119.44 3miq n ASP 102 Ca 0.13 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3miq n ASP 102 Cb 0.34 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 3miq n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3miq n ASP 103 N -1.84 0.00 -2.04 -2.24 -0.08 -0.53 -4.95 116.55 104.88 3miq n ASP 103 Ca -0.21 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.06 3miq n ASP 103 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 3miq n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3miq n GLY 104 N 0.00 -0.61 3.03 0.27 0.00 -1.14 -4.64 105.19 102.11 3miq n GLY 104 Ca 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 3miq n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miq s ASN 105 N -1.08 0.74 -0.15 1.61 2.20 -1.00 -1.36 114.94 115.90 3miq s ASN 105 Ca 0.01 -0.45 -0.07 0.00 -0.94 0.00 0.00 52.86 51.42 3miq s ASN 105 Cb -0.00 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.23 3miq s ASN 105 CO 0.01 -0.16 0.08 -0.31 -2.94 0.00 0.00 177.10 173.78 3miq s TYR 106 N -1.11 3.34 -0.14 1.54 2.02 -0.14 -2.04 117.35 120.81 3miq s TYR 106 Ca -0.08 0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 56.86 3miq s TYR 106 Cb -0.08 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3miq s TYR 106 CO 0.00 0.37 -0.13 0.15 -1.57 0.00 0.00 175.55 174.37 3miq s LYS 107 N -0.21 3.32 0.05 -0.62 1.02 0.31 0.52 119.74 124.14 3miq s LYS 107 Ca 0.08 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.43 3miq s LYS 107 Cb -0.12 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 3miq s LYS 107 CO 0.01 0.12 -0.16 0.95 -0.92 0.00 0.00 175.35 175.35 3miq s THR 108 N 0.59 1.23 -0.05 2.17 -4.23 -0.07 -1.19 115.64 114.09 3miq s THR 108 Ca -0.08 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 3miq s THR 108 Cb -0.16 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.57 3miq s THR 108 CO 0.03 -0.04 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.37 3miq s ARG 109 N -1.38 1.34 0.02 3.99 3.52 -0.43 -0.93 118.95 125.08 3miq s ARG 109 Ca 0.02 -0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3miq s ARG 109 Cb -0.09 -1.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 3miq s ARG 109 CO 0.02 0.03 -0.03 0.00 -0.81 0.00 0.00 175.30 174.51 3miq s ALA 110 N 0.60 0.12 -0.12 6.12 0.00 -0.05 -0.65 121.76 127.78 3miq s ALA 110 Ca -0.11 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3miq s ALA 110 Cb -0.14 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3miq s ALA 110 CO 0.02 -0.16 -0.09 -1.21 0.00 0.00 0.00 175.76 174.32 3miq s GLU 111 N -1.48 3.33 -0.20 0.00 2.02 -0.24 -0.65 118.70 121.48 3miq s GLU 111 Ca -0.16 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3miq s GLU 111 Cb -0.10 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.47 3miq s GLU 111 CO -0.01 0.32 -0.13 0.08 0.02 0.00 0.00 175.26 175.53 3miq s VAL 112 N 0.11 1.86 0.38 2.63 1.01 -0.40 -1.31 120.40 124.68 3miq s VAL 112 Ca -0.04 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 3miq s VAL 112 Cb -0.14 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.43 3miq s VAL 112 CO 0.04 0.24 0.80 -1.59 0.00 0.00 0.00 175.10 174.59 3miq s LYS 113 N 1.31 2.22 -0.18 2.72 -2.85 -0.77 -0.78 119.74 121.41 3miq s LYS 113 Ca -0.01 -1.43 -0.18 0.00 -1.00 0.00 0.00 55.97 53.35 3miq s LYS 113 Cb -0.16 0.62 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 3miq s LYS 113 CO -0.09 -1.04 0.49 -0.06 0.10 0.00 0.00 175.35 174.75 3miq s PHE 114 N -2.26 3.40 -0.78 1.78 0.08 -0.91 -0.19 117.98 119.11 3miq s PHE 114 Ca 0.16 0.78 -0.11 0.00 0.12 0.00 0.00 56.93 57.87 3miq s PHE 114 Cb -0.05 -2.62 0.20 0.00 -0.57 0.00 0.00 43.02 39.98 3miq s PHE 114 CO 0.11 -0.03 0.69 -1.21 -0.10 0.00 0.00 175.22 174.69 3miq s GLU 115 N 1.35 3.36 6.18 0.44 0.41 -0.29 -4.93 118.70 125.22 3miq s GLU 115 Ca 0.24 -2.47 0.00 0.00 -0.41 0.00 0.00 54.97 52.33 3miq s GLU 115 Cb -0.15 -4.27 0.00 0.00 -1.78 0.00 0.00 34.13 27.93 3miq s GLU 115 CO 0.09 -1.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 3miq n GLY 116 N 3.87 1.64 0.56 -1.39 0.00 -1.26 -2.55 105.19 106.06 3miq n GLY 116 Ca 0.12 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.32 3miq n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3miq n ASP 117 N 10.99 2.22 -4.83 1.61 8.00 -1.26 -4.95 116.55 128.33 3miq n ASP 117 Ca 0.00 -1.60 -0.36 0.00 0.71 0.00 0.00 54.79 53.53 3miq n ASP 117 Cb 0.00 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 3miq n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3miq s THR 118 N -1.10 5.32 -0.23 -3.53 2.01 -1.06 -4.29 115.64 112.76 3miq s THR 118 Ca 0.17 0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 3miq s THR 118 Cb 0.11 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 3miq s THR 118 CO 0.17 0.60 0.73 -0.22 -0.69 0.00 0.00 174.62 175.21 3miq s LEU 119 N -0.84 4.09 -0.12 4.42 1.98 0.65 -1.14 118.68 127.71 3miq s LEU 119 Ca 0.14 0.91 0.02 0.00 -2.89 0.00 0.00 54.13 52.31 3miq s LEU 119 Cb -0.12 -3.04 0.01 0.00 0.66 0.00 0.00 46.19 43.71 3miq s LEU 119 CO 0.03 -0.42 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.19 3miq s VAL 120 N 2.54 1.79 -0.39 1.68 1.01 0.73 -0.79 120.40 126.98 3miq s VAL 120 Ca 0.31 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3miq s VAL 120 Cb -0.16 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3miq s VAL 120 CO 0.09 0.50 0.22 0.21 0.00 0.00 0.00 175.10 176.11 3miq s ASN 121 N 0.88 5.71 -0.25 3.32 2.47 0.77 -1.85 114.94 125.99 3miq s ASN 121 Ca -0.07 -1.13 -0.07 0.00 0.42 0.00 0.00 52.86 52.00 3miq s ASN 121 Cb -0.15 -2.01 -0.03 0.00 -1.45 0.00 0.00 41.25 37.61 3miq s ASN 121 CO -0.01 -0.43 0.07 -0.13 -3.72 0.00 0.00 177.10 172.88 3miq s ARG 122 N 1.52 3.67 -0.07 0.43 0.52 -0.43 -0.48 118.95 124.11 3miq s ARG 122 Ca 0.02 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 3miq s ARG 122 Cb -0.20 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 31.96 3miq s ARG 122 CO 0.05 -0.17 -0.17 0.42 0.02 0.00 0.00 175.30 175.46 3miq s ILE 123 N 1.56 1.46 -0.24 1.52 1.01 0.12 -1.07 121.20 125.55 3miq s ILE 123 Ca 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 3miq s ILE 123 Cb -0.15 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3miq s ILE 123 CO 0.04 0.43 0.12 -0.70 0.00 0.00 0.00 174.94 174.82 3miq s GLU 124 N 0.46 3.90 -0.08 2.79 2.12 0.18 -0.79 118.70 127.28 3miq s GLU 124 Ca -0.14 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 54.87 3miq s GLU 124 Cb -0.16 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 3miq s GLU 124 CO 0.05 -0.03 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.35 3miq s LEU 125 N 1.26 2.00 -0.12 2.70 0.20 0.39 -1.31 118.68 123.79 3miq s LEU 125 Ca 0.06 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.42 3miq s LEU 125 Cb -0.14 -1.26 0.01 0.00 -0.43 0.00 0.00 46.19 44.37 3miq s LEU 125 CO 0.05 0.16 -0.18 -0.75 -0.29 0.00 0.00 176.35 175.34 3miq s LYS 126 N 0.22 2.57 -0.14 1.98 2.47 -0.33 -1.37 119.74 125.14 3miq s LYS 126 Ca -0.13 -0.69 0.01 0.00 -1.56 0.00 0.00 55.97 53.60 3miq s LYS 126 Cb -0.16 -2.13 0.02 0.00 -1.46 0.00 0.00 37.83 34.11 3miq s LYS 126 CO 0.06 -0.04 -0.14 0.20 0.16 0.00 0.00 175.35 175.59 3miq s GLY 127 N 0.90 1.10 0.37 5.54 0.00 0.22 -0.53 107.32 114.91 3miq s GLY 127 Ca -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 43.85 3miq s GLY 127 CO -0.01 0.48 0.01 -0.26 0.00 0.00 0.00 173.10 173.32 3miq s ILE 128 N 1.40 1.74 -1.33 0.90 -4.36 -0.87 0.13 121.20 118.80 3miq s ILE 128 Ca 0.03 -2.03 -0.05 0.00 -0.26 0.00 0.00 60.65 58.34 3miq s ILE 128 Cb -0.13 -2.86 0.01 0.00 1.25 0.00 0.00 42.46 40.73 3miq s ILE 128 CO -0.09 -0.04 0.66 0.47 0.24 0.00 0.00 174.94 176.17 3miq n ASP 129 N -0.83 -5.67 -4.86 4.36 10.43 -1.26 -2.37 116.55 116.35 3miq n ASP 129 Ca -0.04 -0.30 -0.37 0.00 2.57 0.00 0.00 54.79 56.64 3miq n ASP 129 Cb 0.66 -4.45 -0.06 0.00 1.84 0.00 0.00 41.12 39.11 3miq n ASP 129 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3miq s PHE 130 N -3.15 3.66 -0.02 1.24 0.40 -1.26 -2.86 117.98 116.00 3miq s PHE 130 Ca 0.33 0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 57.16 3miq s PHE 130 Cb -0.14 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3miq s PHE 130 CO 0.40 0.65 1.22 0.15 0.70 0.00 0.00 175.22 178.35 3miq s LYS 131 N -1.22 4.37 0.63 0.44 1.02 -1.26 -4.91 119.74 118.80 3miq s LYS 131 Ca 0.23 1.73 0.42 0.00 0.02 0.00 0.00 55.97 58.36 3miq s LYS 131 Cb -0.15 -3.50 2.20 0.00 -0.52 0.00 0.00 37.83 35.86 3miq s LYS 131 CO 0.12 -0.41 2.27 0.93 -0.92 0.00 0.00 175.35 177.34 3miq h GLU 132 N 7.32 0.00 -0.11 1.68 4.39 -1.97 -0.79 114.58 125.10 3miq h GLU 132 Ca -0.37 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 3miq h GLU 132 Cb 1.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 3miq h GLU 132 CO 0.86 0.00 -0.13 -3.47 -1.16 0.00 0.00 179.01 175.11 3miq n ASP 133 N -3.02 2.51 -3.43 1.42 4.64 -1.26 -4.07 116.55 113.35 3miq n ASP 133 Ca -0.02 -3.40 -0.22 0.00 -1.38 0.00 0.00 54.79 49.77 3miq n ASP 133 Cb 0.10 -0.51 0.16 0.00 -1.04 0.00 0.00 41.12 39.83 3miq n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3miq n GLY 134 N -1.13 -1.59 0.28 0.27 0.00 -0.30 -4.76 105.19 97.96 3miq n GLY 134 Ca 0.21 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 3miq n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3miq h ASN 135 N -1.46 0.73 0.04 1.61 2.35 -1.94 -0.89 115.58 116.02 3miq h ASN 135 Ca -0.33 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.22 3miq h ASN 135 Cb 0.91 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3miq h ASN 135 CO 0.23 0.85 -0.02 0.40 -1.65 0.00 0.00 177.43 177.24 3miq h ILE 136 N 0.68 0.00 0.00 2.81 5.03 -1.93 0.27 117.51 124.37 3miq h ILE 136 Ca 0.12 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.77 3miq h ILE 136 Cb 0.55 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.33 3miq h ILE 136 CO 0.03 0.00 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.39 3miq h LEU 137 N -0.14 0.00 -0.88 1.44 3.38 -1.77 -1.31 115.31 116.03 3miq h LEU 137 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3miq h LEU 137 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3miq h LEU 137 CO 0.01 0.04 -0.03 0.61 0.09 0.00 0.00 178.44 179.16 3miq n GLY 138 N -0.83 -0.11 3.48 0.83 0.00 -0.34 -4.92 105.19 103.31 3miq n GLY 138 Ca -0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 3miq n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3miq n HIS 139 N 0.04 -2.29 -0.12 1.61 8.25 -0.49 -4.94 115.22 117.28 3miq n HIS 139 Ca 0.18 0.75 0.04 0.00 -0.26 0.00 0.00 57.72 58.43 3miq n HIS 139 Cb 0.35 -3.58 0.10 0.00 1.12 0.00 0.00 29.99 27.99 3miq n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3miq n LYS 140 N -3.14 2.91 -2.97 -0.41 5.02 0.89 -5.02 118.16 115.45 3miq n LYS 140 Ca -0.11 -1.87 -0.34 0.00 -2.02 0.00 0.00 58.31 53.97 3miq n LYS 140 Cb 0.59 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 3miq n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3miq s LEU 141 N -1.00 4.09 0.37 -0.35 1.43 -1.26 -1.03 118.68 120.94 3miq s LEU 141 Ca 0.16 1.52 -0.25 0.00 -1.03 0.00 0.00 54.13 54.53 3miq s LEU 141 Cb 0.08 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 3miq s LEU 141 CO 0.11 -0.21 1.02 -1.61 0.23 0.00 0.00 176.35 175.88 3miq s GLU 142 N -2.81 4.30 -1.21 1.70 2.02 0.40 -4.73 118.70 118.37 3miq s GLU 142 Ca 0.55 1.46 -0.20 0.00 0.02 0.00 0.00 54.97 56.80 3miq s GLU 142 Cb -0.12 -2.62 0.05 0.00 0.10 0.00 0.00 34.13 31.54 3miq s GLU 142 CO 0.17 -0.01 1.69 -0.47 0.02 0.00 0.00 175.26 176.67 3miq s TYR 143 N -1.65 2.63 0.03 1.61 5.04 -1.26 -4.81 117.35 118.93 3miq s TYR 143 Ca 0.55 -1.21 -0.24 0.00 -2.44 0.00 0.00 57.07 53.74 3miq s TYR 143 Cb -0.21 -4.66 0.08 0.00 0.35 0.00 0.00 41.96 37.52 3miq s TYR 143 CO 0.27 -1.79 1.09 0.27 -1.34 0.00 0.00 175.55 174.04 3miq n ASN 144 N 9.17 -1.21 -3.70 4.32 0.23 -1.26 -4.84 115.26 117.97 3miq n ASN 144 Ca 0.45 -1.39 -0.14 0.00 -0.53 0.00 0.00 54.58 52.96 3miq n ASN 144 Cb 0.47 1.91 -0.08 0.00 -2.08 0.00 0.00 39.78 40.00 3miq n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3miq s TYR 145 N -2.24 -0.37 0.54 -2.53 6.14 -1.26 -4.86 117.35 112.78 3miq s TYR 145 Ca 0.25 0.73 0.09 0.00 0.64 0.00 0.00 57.07 58.78 3miq s TYR 145 Cb -0.01 0.18 0.07 0.00 0.42 0.00 0.00 41.96 42.61 3miq s TYR 145 CO 0.01 -0.38 0.70 -0.80 0.64 0.00 0.00 175.55 175.72 3miq s ASN 146 N -0.79 5.12 -0.18 4.32 0.01 -1.26 -4.53 114.94 117.63 3miq s ASN 146 Ca -0.09 -0.84 -0.03 0.00 -0.71 0.00 0.00 52.86 51.19 3miq s ASN 146 Cb -0.04 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.76 3miq s ASN 146 CO 0.04 -1.21 -0.05 -0.44 -1.51 0.00 0.00 177.10 173.94 3miq s SER 147 N -4.56 4.52 0.29 -1.22 0.01 -1.26 -4.22 113.70 107.26 3miq s SER 147 Ca 0.57 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.62 3miq s SER 147 Cb -0.06 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.36 3miq s SER 147 CO 0.36 0.09 0.01 -1.00 0.41 0.00 0.00 173.24 173.10 3miq s HIS 148 N 0.83 1.87 -0.30 2.43 3.76 -1.15 -4.90 115.29 117.84 3miq s HIS 148 Ca -0.01 -0.87 -0.06 0.00 -0.15 0.00 0.00 55.06 53.97 3miq s HIS 148 Cb -0.15 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.41 3miq s HIS 148 CO 0.02 0.09 0.06 -0.80 -0.85 0.00 0.00 174.74 173.26 3miq s ASN 149 N -3.43 5.05 -0.39 1.40 0.01 -1.26 -0.79 114.94 115.53 3miq s ASN 149 Ca 0.32 -0.82 -0.22 0.00 -0.71 0.00 0.00 52.86 51.44 3miq s ASN 149 Cb 0.07 -1.85 0.01 0.00 0.41 0.00 0.00 41.25 39.89 3miq s ASN 149 CO 0.13 -0.21 0.70 -0.69 -1.51 0.00 0.00 177.10 175.52 3miq s VAL 150 N 1.45 4.80 -0.32 1.60 1.01 0.18 -4.69 120.40 124.43 3miq s VAL 150 Ca 0.01 0.58 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 3miq s VAL 150 Cb -0.18 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 3miq s VAL 150 CO 0.02 -0.46 0.67 -0.31 0.00 0.00 0.00 175.10 175.02 3miq s TYR 151 N 2.93 3.19 0.04 5.22 2.02 -0.99 -0.03 117.35 129.73 3miq s TYR 151 Ca 0.27 0.56 0.02 0.00 -0.37 0.00 0.00 57.07 57.54 3miq s TYR 151 Cb -0.14 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 3miq s TYR 151 CO 0.17 -0.55 0.05 0.42 -1.57 0.00 0.00 175.55 174.07 3miq s ILE 152 N 2.72 4.41 -0.10 2.71 1.01 -0.23 -1.65 121.20 130.08 3miq s ILE 152 Ca 0.26 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 3miq s ILE 152 Cb -0.15 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.34 3miq s ILE 152 CO 0.13 0.26 0.63 -0.32 0.00 0.00 0.00 174.94 175.63 3miq s MET 153 N -1.97 0.93 0.15 2.79 1.75 -0.79 -2.28 119.30 119.87 3miq s MET 153 Ca 0.24 0.38 -0.20 0.00 -1.25 0.00 0.00 55.69 54.86 3miq s MET 153 Cb -0.12 0.44 -0.07 0.00 2.84 0.00 0.00 34.83 37.92 3miq s MET 153 CO 0.16 -0.25 0.66 0.00 -0.65 0.00 0.00 175.02 174.94 3miq s ALA 154 N -0.80 3.50 -0.78 4.11 0.00 -1.25 -0.98 121.76 125.56 3miq s ALA 154 Ca -0.08 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.04 3miq s ALA 154 Cb -0.02 -2.75 0.19 0.00 0.00 0.00 0.00 23.12 20.54 3miq s ALA 154 CO 0.07 0.36 0.61 0.34 0.00 0.00 0.00 175.76 177.14 3miq s ASP 155 N -1.35 5.29 0.49 0.00 3.68 0.23 -4.66 116.67 120.35 3miq s ASP 155 Ca 0.36 -3.83 0.19 0.00 2.13 0.00 0.00 52.55 51.40 3miq s ASP 155 Cb -0.19 -1.74 1.23 0.00 -1.45 0.00 0.00 42.92 40.77 3miq s ASP 155 CO 0.21 -0.12 2.00 0.11 0.13 0.00 0.00 175.17 177.51 3miq h LYS 156 N 5.60 0.17 -0.03 4.34 1.57 -1.96 0.04 116.57 126.29 3miq h LYS 156 Ca 0.15 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3miq h LYS 156 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3miq h LYS 156 CO 0.77 0.11 -0.23 0.37 -0.57 0.00 0.00 179.45 179.90 3miq h GLN 157 N 0.17 0.05 -0.34 3.15 4.15 -1.92 -2.46 115.11 117.90 3miq h GLN 157 Ca 0.24 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3miq h GLN 157 Cb 0.72 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.40 3miq h GLN 157 CO -0.04 0.29 0.00 1.63 -1.93 0.00 0.00 178.83 178.78 3miq n LYS 158 N -4.24 2.45 -3.71 1.69 5.02 -0.08 -4.96 118.16 114.32 3miq n LYS 158 Ca -0.02 -2.00 -0.24 0.00 -2.02 0.00 0.00 58.31 54.03 3miq n LYS 158 Cb 0.30 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 34.04 3miq n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3miq n ASN 159 N 0.75 -3.51 0.00 4.39 5.15 -0.70 -4.74 115.26 116.60 3miq n ASN 159 Ca 0.13 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 3miq n ASN 159 Cb 0.44 -4.35 0.00 0.00 -0.53 0.00 0.00 39.78 35.35 3miq n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3miq n GLY 160 N -1.64 3.13 3.12 8.20 0.00 -0.99 -4.25 105.19 112.76 3miq n GLY 160 Ca -0.13 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 3miq n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3miq s ILE 161 N -1.31 1.14 -0.14 -0.61 -4.36 -0.62 0.77 121.20 116.07 3miq s ILE 161 Ca 0.00 -0.72 -0.16 0.00 -0.26 0.00 0.00 60.65 59.51 3miq s ILE 161 Cb 0.00 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 3miq s ILE 161 CO 0.00 0.24 0.40 -0.54 0.24 0.00 0.00 174.94 175.28 3miq s LYS 162 N -0.56 4.29 0.07 0.37 1.02 -0.15 -1.67 119.74 123.11 3miq s LYS 162 Ca 0.05 0.29 0.08 0.00 0.02 0.00 0.00 55.97 56.40 3miq s LYS 162 Cb -0.06 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3miq s LYS 162 CO -0.00 0.16 -0.21 0.08 -0.92 0.00 0.00 175.35 174.46 3miq s VAL 163 N 0.67 1.70 -0.22 3.17 1.01 0.54 -1.89 120.40 125.38 3miq s VAL 163 Ca 0.22 -1.36 -0.23 0.00 0.00 0.00 0.00 61.98 60.60 3miq s VAL 163 Cb -0.14 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.79 3miq s VAL 163 CO 0.08 0.09 0.64 0.54 0.00 0.00 0.00 175.10 176.44 3miq s ASN 164 N -1.52 -0.66 0.20 3.32 4.22 -0.66 -0.66 114.94 119.18 3miq s ASN 164 Ca 0.07 1.21 -0.22 0.00 -2.14 0.00 0.00 52.86 51.77 3miq s ASN 164 Cb -0.09 1.21 0.07 0.00 1.28 0.00 0.00 41.25 43.72 3miq s ASN 164 CO 0.03 -0.27 0.99 0.72 -2.04 0.00 0.00 177.10 176.53 3miq s PHE 165 N 0.13 0.02 -0.13 1.54 -0.71 -1.15 -2.34 117.98 115.34 3miq s PHE 165 Ca -0.02 -0.43 -0.00 0.00 -1.04 0.00 0.00 56.93 55.44 3miq s PHE 165 Cb -0.04 0.70 0.03 0.00 -1.21 0.00 0.00 43.02 42.50 3miq s PHE 165 CO 0.02 -0.97 -0.09 0.15 -1.34 0.00 0.00 175.22 173.00 3miq s LYS 166 N -2.48 1.67 0.12 1.99 1.02 -1.26 -0.82 119.74 119.97 3miq s LYS 166 Ca 0.19 -0.35 -0.26 0.00 0.02 0.00 0.00 55.97 55.57 3miq s LYS 166 Cb -0.02 -1.75 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 3miq s LYS 166 CO 0.05 -0.28 0.80 0.42 -0.92 0.00 0.00 175.35 175.41 3miq s ILE 167 N 1.65 4.51 -0.36 2.17 -1.09 -0.52 -4.89 121.20 122.66 3miq s ILE 167 Ca 0.04 1.73 -0.08 0.00 -2.23 0.00 0.00 60.65 60.11 3miq s ILE 167 Cb -0.13 -4.16 0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3miq s ILE 167 CO -0.09 0.44 0.16 -0.13 -1.23 0.00 0.00 174.94 174.09 3miq s ARG 168 N -0.62 2.63 -0.21 2.79 0.52 -1.26 -1.27 118.95 121.52 3miq s ARG 168 Ca 0.38 -1.25 -0.18 0.00 -0.52 0.00 0.00 55.73 54.16 3miq s ARG 168 Cb -0.22 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 3miq s ARG 168 CO 0.26 -0.75 0.52 -1.01 0.02 0.00 0.00 175.30 174.33 3miq s HIS 169 N 1.42 3.35 -0.02 -0.53 3.76 0.06 -4.53 115.29 118.79 3miq s HIS 169 Ca 0.00 0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 55.36 3miq s HIS 169 Cb -0.20 -2.68 -0.06 0.00 1.11 0.00 0.00 32.58 30.75 3miq s HIS 169 CO 0.03 -0.14 1.56 -0.80 -0.85 0.00 0.00 174.74 174.54 3miq s ASN 170 N 1.24 6.72 0.12 1.40 0.01 -1.26 -0.87 114.94 122.29 3miq s ASN 170 Ca 0.23 2.22 -0.05 0.00 -0.71 0.00 0.00 52.86 54.55 3miq s ASN 170 Cb -0.15 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 3miq s ASN 170 CO 0.09 -0.85 0.36 -0.63 -1.51 0.00 0.00 177.10 174.56 3miq s ILE 171 N 3.28 5.18 -1.00 0.60 1.09 -0.04 -0.46 121.20 129.86 3miq s ILE 171 Ca 0.70 0.07 0.14 0.00 -1.10 0.00 0.00 60.65 60.47 3miq s ILE 171 Cb -0.33 -3.62 0.12 0.00 -1.06 0.00 0.00 42.46 37.57 3miq s ILE 171 CO 0.28 0.11 1.46 -1.84 -0.10 0.00 0.00 174.94 174.85 3miq n GLU 172 N 0.31 0.00 -0.21 2.79 0.28 -0.20 -2.03 120.64 121.58 3miq n GLU 172 Ca -0.04 0.25 0.08 0.00 -0.16 0.00 0.00 57.16 57.29 3miq n GLU 172 Cb 0.52 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.10 3miq n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3miq n ASP 173 N -1.50 2.35 0.00 -1.84 5.75 -1.26 -4.90 116.55 115.15 3miq n ASP 173 Ca 0.03 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3miq n ASP 173 Cb 0.17 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3miq n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3miq n GLY 174 N 1.21 3.20 3.83 6.12 0.00 -0.86 -5.07 105.19 113.62 3miq n GLY 174 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3miq n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3miq s SER 175 N -1.09 3.43 0.01 1.61 1.04 -1.25 -4.85 113.70 112.60 3miq s SER 175 Ca 0.00 0.73 0.03 0.00 0.48 0.00 0.00 55.95 57.19 3miq s SER 175 Cb 0.00 -1.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 3miq s SER 175 CO 0.00 -2.58 -0.10 0.68 0.98 0.00 0.00 173.24 172.22 3miq s VAL 176 N -3.47 0.82 -0.17 5.02 -7.23 -1.26 -0.86 120.40 113.25 3miq s VAL 176 Ca 0.66 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 3miq s VAL 176 Cb -0.11 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 3miq s VAL 176 CO 0.52 0.10 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.78 3miq s GLN 177 N -0.60 3.55 -0.00 4.82 0.74 -0.05 -4.93 119.66 123.19 3miq s GLN 177 Ca 0.02 -0.57 -0.25 0.00 0.05 0.00 0.00 55.36 54.61 3miq s GLN 177 Cb -0.05 -2.90 -0.05 0.00 1.10 0.00 0.00 33.01 31.11 3miq s GLN 177 CO 0.00 0.12 0.76 -0.51 -0.55 0.00 0.00 175.29 175.11 3miq s LEU 178 N 0.67 4.39 -0.40 3.68 1.02 -1.26 -0.76 118.68 126.02 3miq s LEU 178 Ca -0.03 1.37 -0.06 0.00 0.02 0.00 0.00 54.13 55.44 3miq s LEU 178 Cb -0.15 -3.21 0.09 0.00 0.02 0.00 0.00 46.19 42.94 3miq s LEU 178 CO 0.02 -0.06 0.21 0.00 0.02 0.00 0.00 176.35 176.54 3miq s ALA 179 N 0.36 3.18 -0.36 4.21 0.00 -0.40 -1.28 121.76 127.46 3miq s ALA 179 Ca 0.39 -2.27 -0.29 0.00 0.00 0.00 0.00 51.96 49.80 3miq s ALA 179 Cb -0.20 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.47 3miq s ALA 179 CO 0.22 -1.67 1.15 0.34 0.00 0.00 0.00 175.76 175.80 3miq s ASP 180 N 1.93 6.77 -0.07 0.00 2.15 0.22 -1.44 116.67 126.23 3miq s ASP 180 Ca 0.04 0.91 -0.13 0.00 0.43 0.00 0.00 52.55 53.80 3miq s ASP 180 Cb -0.23 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.80 3miq s ASP 180 CO -0.01 -1.05 0.33 -1.00 -0.17 0.00 0.00 175.17 173.27 3miq s HIS 181 N 4.10 3.63 -0.08 -5.34 3.76 0.00 -0.78 115.29 120.57 3miq s HIS 181 Ca 0.49 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 56.22 3miq s HIS 181 Cb -0.12 -2.25 0.02 0.00 1.11 0.00 0.00 32.58 31.34 3miq s HIS 181 CO 0.22 0.55 -0.11 0.71 -0.85 0.00 0.00 174.74 175.26 3miq s TYR 182 N -0.63 1.48 -0.01 1.40 2.02 -0.78 -2.95 117.35 117.89 3miq s TYR 182 Ca 0.21 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3miq s TYR 182 Cb -0.15 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.28 3miq s TYR 182 CO 0.09 -0.37 -0.01 -1.14 -1.57 0.00 0.00 175.55 172.55 3miq s GLN 183 N 1.05 0.13 -0.04 -0.62 0.74 0.16 -0.93 119.66 120.16 3miq s GLN 183 Ca -0.07 -0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.36 3miq s GLN 183 Cb -0.15 -0.17 -0.00 0.00 1.10 0.00 0.00 33.01 33.79 3miq s GLN 183 CO -0.01 0.00 -0.18 -0.65 -0.55 0.00 0.00 175.29 173.90 3miq s GLN 184 N 0.16 1.83 -0.09 1.67 -1.52 0.53 -0.34 119.66 121.91 3miq s GLN 184 Ca -0.01 -0.64 0.01 0.00 -1.95 0.00 0.00 55.36 52.77 3miq s GLN 184 Cb -0.03 -1.60 0.02 0.00 -0.22 0.00 0.00 33.01 31.18 3miq s GLN 184 CO -0.00 0.27 -0.11 -0.80 -0.25 0.00 0.00 175.29 174.40 3miq s ASN 185 N -0.02 1.94 0.06 5.90 -0.87 -0.67 -0.43 114.94 120.85 3miq s ASN 185 Ca -0.03 -0.31 0.06 0.00 -1.57 0.00 0.00 52.86 51.02 3miq s ASN 185 Cb -0.11 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.25 40.25 3miq s ASN 185 CO 0.02 -0.02 -0.17 0.42 -2.57 0.00 0.00 177.10 174.78 3miq s THR 186 N 1.06 1.36 0.31 1.60 -4.23 -0.55 -1.58 115.64 113.60 3miq s THR 186 Ca -0.07 -1.22 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 3miq s THR 186 Cb -0.15 -1.23 -0.10 0.00 1.34 0.00 0.00 72.50 72.36 3miq s THR 186 CO -0.01 -0.02 1.20 -2.16 -0.54 0.00 0.00 174.62 173.09 3miq s PRO 187 N -1.44 4.50 0.04 3.99 0.04 -1.26 0.14 135.00 141.01 3miq s PRO 187 Ca 0.03 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 3miq s PRO 187 Cb -0.09 -3.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.16 3miq s PRO 187 CO 0.02 0.01 1.27 0.82 0.04 0.00 0.00 177.00 179.17 3miq h ILE 188 N 3.06 1.37 -3.80 0.56 2.04 -1.05 -3.45 117.51 116.24 3miq h ILE 188 Ca -0.48 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 3miq h ILE 188 Cb 1.22 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 3miq h ILE 188 CO 0.66 0.48 -0.00 0.61 0.00 0.00 0.00 178.15 179.90 3miq n GLY 189 N 0.49 1.61 0.17 5.37 0.00 -1.26 -5.04 105.19 106.53 3miq n GLY 189 Ca -0.07 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.93 3miq n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3miq n ASP 190 N -3.00 1.08 -4.58 1.61 9.92 -1.26 -4.99 116.55 115.33 3miq n ASP 190 Ca 0.00 -1.04 -0.61 0.00 -0.53 0.00 0.00 54.79 52.61 3miq n ASP 190 Cb 0.00 0.72 -0.08 0.00 -0.64 0.00 0.00 41.12 41.12 3miq n ASP 190 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3miq n GLY 191 N 1.18 -0.04 3.71 0.44 0.00 -1.26 -4.75 105.19 104.47 3miq n GLY 191 Ca 0.04 0.83 -0.40 0.00 0.00 0.00 0.00 46.02 46.49 3miq n GLY 191 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3miq n PRO 192 N 2.42 1.81 -4.59 1.61 -0.02 -1.26 -4.96 135.00 130.01 3miq n PRO 192 Ca 0.23 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 62.09 3miq n PRO 192 Cb 0.06 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 3miq n PRO 192 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3miq s VAL 193 N -1.25 1.52 -0.10 -1.45 -7.23 -1.26 -4.96 120.40 105.67 3miq s VAL 193 Ca 0.65 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 3miq s VAL 193 Cb -0.47 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 3miq s VAL 193 CO 0.55 0.00 0.98 -0.76 -0.31 0.00 0.00 175.10 175.56 3miq s LEU 194 N -3.67 4.26 -0.38 1.32 1.43 -1.26 -5.03 118.68 115.35 3miq s LEU 194 Ca 0.29 1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 3miq s LEU 194 Cb 0.08 -3.51 0.09 0.00 0.03 0.00 0.00 46.19 42.87 3miq s LEU 194 CO 0.14 -0.41 0.15 -0.76 0.23 0.00 0.00 176.35 175.70 3miq s LEU 195 N 1.88 4.82 0.62 1.79 1.43 -1.26 -4.23 118.68 123.73 3miq s LEU 195 Ca 0.47 -1.73 -0.16 0.00 -1.03 0.00 0.00 54.13 51.68 3miq s LEU 195 Cb -0.18 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3miq s LEU 195 CO 0.18 -0.45 1.10 -2.84 0.23 0.00 0.00 176.35 174.57 3miq s PRO 196 N 1.21 3.04 0.64 1.29 0.02 -1.26 -4.98 135.00 134.96 3miq s PRO 196 Ca 0.04 1.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 3miq s PRO 196 Cb -0.22 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 3miq s PRO 196 CO -0.02 -1.06 1.04 -0.51 -0.33 0.00 0.00 177.00 176.11 3miq s ASP 197 N -2.48 5.91 0.07 2.53 -0.00 -1.26 -3.94 116.67 117.49 3miq s ASP 197 Ca 0.67 1.52 -0.36 0.00 -0.00 0.00 0.00 52.55 54.38 3miq s ASP 197 Cb -0.20 -2.48 -0.15 0.00 -0.00 0.00 0.00 42.92 40.09 3miq s ASP 197 CO 0.37 -1.09 1.50 0.59 -0.00 0.00 0.00 175.17 176.55 3miq n ASN 198 N -2.82 2.37 -0.96 0.27 3.02 -1.26 -4.81 115.26 111.08 3miq n ASN 198 Ca 0.07 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 3miq n ASN 198 Cb 0.54 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 3miq n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3miq n HIS 199 N 3.38 -0.93 -3.69 3.10 1.44 -0.97 -4.77 115.22 112.79 3miq n HIS 199 Ca 0.19 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.80 3miq n HIS 199 Cb 0.23 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.30 3miq n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3miq s TYR 200 N -8.53 -0.16 -0.14 -1.40 -0.85 -0.12 -1.07 117.35 105.08 3miq s TYR 200 Ca 0.00 -0.16 -0.01 0.00 -0.52 0.00 0.00 57.07 56.38 3miq s TYR 200 Cb 0.00 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 3miq s TYR 200 CO 0.00 -0.87 -0.11 -0.51 -1.52 0.00 0.00 175.55 172.55 3miq s LEU 201 N -2.85 2.83 -0.22 -3.49 1.43 0.96 -0.86 118.68 116.48 3miq s LEU 201 Ca 0.07 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 3miq s LEU 201 Cb -0.00 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3miq s LEU 201 CO -0.05 0.16 0.25 -0.55 0.23 0.00 0.00 176.35 176.39 3miq s SER 202 N 0.39 6.26 0.40 2.29 0.15 0.04 0.51 113.70 123.74 3miq s SER 202 Ca -0.09 0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.92 3miq s SER 202 Cb -0.15 -2.15 -0.08 0.00 -1.71 0.00 0.00 66.02 61.92 3miq s SER 202 CO 0.05 0.02 -0.00 0.42 1.20 0.00 0.00 173.24 174.93 3miq s THR 203 N 1.08 2.03 -0.29 6.45 -4.23 0.03 -1.73 115.64 118.98 3miq s THR 203 Ca 0.12 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 3miq s THR 203 Cb -0.14 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.91 3miq s THR 203 CO 0.05 -0.03 1.19 0.00 -0.54 0.00 0.00 174.62 175.29 3miq s GLN 204 N -3.70 0.30 -0.01 3.99 -2.07 -0.86 -2.91 119.66 114.39 3miq s GLN 204 Ca 0.35 0.38 -0.07 0.00 -1.82 0.00 0.00 55.36 54.20 3miq s GLN 204 Cb 0.09 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 3miq s GLN 204 CO 0.18 -0.04 0.14 -1.12 -1.32 0.00 0.00 175.29 173.13 3miq s SER 205 N 0.36 -0.02 -0.08 12.60 0.01 -1.26 -1.10 113.70 124.21 3miq s SER 205 Ca 0.02 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.24 3miq s SER 205 Cb -0.05 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3miq s SER 205 CO -0.11 -0.29 -0.20 0.00 0.41 0.00 0.00 173.24 173.06 3miq s ALA 206 N -1.01 1.82 -0.04 1.44 0.00 0.56 -4.34 121.76 120.19 3miq s ALA 206 Ca -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3miq s ALA 206 Cb -0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3miq s ALA 206 CO 0.01 0.24 0.12 -0.51 0.00 0.00 0.00 175.76 175.63 3miq s LEU 207 N 0.37 4.14 0.22 0.00 1.43 -1.26 -1.52 118.68 122.07 3miq s LEU 207 Ca -0.15 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 3miq s LEU 207 Cb -0.16 -2.32 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 3miq s LEU 207 CO 0.06 0.31 0.44 -0.94 0.23 0.00 0.00 176.35 176.45 3miq s SER 208 N -1.59 -0.09 0.05 2.29 1.04 -0.56 -4.91 113.70 109.92 3miq s SER 208 Ca 0.22 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 55.88 3miq s SER 208 Cb -0.12 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 3miq s SER 208 CO 0.13 -1.07 -0.17 -0.54 0.98 0.00 0.00 173.24 172.57 3miq s LYS 209 N -3.98 2.07 -0.25 4.02 -0.14 -1.26 -1.60 119.74 118.59 3miq s LYS 209 Ca 0.19 -0.99 -0.20 0.00 -1.36 0.00 0.00 55.97 53.61 3miq s LYS 209 Cb 0.00 -2.20 -0.02 0.00 -1.68 0.00 0.00 37.83 33.93 3miq s LYS 209 CO 0.05 0.54 0.62 0.34 -0.76 0.00 0.00 175.35 176.14 3miq s ASP 210 N -1.53 6.57 0.00 2.83 2.15 -1.26 -4.97 116.67 120.47 3miq s ASP 210 Ca 0.15 0.70 0.18 0.00 0.43 0.00 0.00 52.55 54.01 3miq s ASP 210 Cb -0.11 -2.33 0.84 0.00 -0.30 0.00 0.00 42.92 41.02 3miq s ASP 210 CO 0.06 -0.36 1.56 -2.65 -0.17 0.00 0.00 175.17 173.61 3miq n PRO 211 N 5.67 0.13 0.01 4.34 -0.02 -1.26 -2.25 135.00 141.62 3miq n PRO 211 Ca -0.01 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.73 3miq n PRO 211 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.37 3miq n PRO 211 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3miq n ASN 212 N -1.39 0.45 -4.68 2.55 3.02 -1.26 -4.91 115.26 109.04 3miq n ASN 212 Ca 0.06 -0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 53.93 3miq n ASN 212 Cb 0.17 1.37 -0.06 0.00 -0.61 0.00 0.00 39.78 40.66 3miq n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3miq s GLU 213 N -3.30 4.27 0.00 3.52 2.56 -0.96 -4.94 118.70 119.85 3miq s GLU 213 Ca -0.01 0.61 0.17 0.00 0.00 0.00 0.00 54.97 55.75 3miq s GLU 213 Cb 0.14 -3.53 -0.14 0.00 2.00 0.00 0.00 34.13 32.61 3miq s GLU 213 CO 0.87 -0.11 0.77 1.63 -0.56 0.00 0.00 175.26 177.86 3miq n LYS 214 N 4.57 1.43 -2.30 4.30 5.02 -1.26 -4.90 118.16 125.02 3miq n LYS 214 Ca -0.03 -0.22 -0.29 0.00 -2.02 0.00 0.00 58.31 55.75 3miq n LYS 214 Cb 0.50 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 3miq n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3miq s ARG 215 N -2.47 3.41 -0.13 1.97 0.52 -1.26 -4.99 118.95 116.00 3miq s ARG 215 Ca 0.09 0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 3miq s ARG 215 Cb 0.13 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 3miq s ARG 215 CO 0.63 -0.46 1.60 0.34 0.02 0.00 0.00 175.30 177.44 3miq s ASP 216 N -4.18 6.57 0.12 0.23 -1.08 -1.26 -4.94 116.67 112.13 3miq s ASP 216 Ca 0.52 1.93 -0.05 0.00 -0.52 0.00 0.00 52.55 54.42 3miq s ASP 216 Cb -0.11 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 3miq s ASP 216 CO 0.48 -1.05 0.14 -1.38 0.52 0.00 0.00 175.17 173.88 3miq s HIS 217 N 4.50 0.50 -0.05 -5.34 -3.43 -1.26 -0.66 115.29 109.55 3miq s HIS 217 Ca 0.71 -0.92 -0.01 0.00 -0.80 0.00 0.00 55.06 54.04 3miq s HIS 217 Cb -0.29 -0.24 0.03 0.00 -1.43 0.00 0.00 32.58 30.65 3miq s HIS 217 CO 0.28 -0.57 0.00 1.41 -2.00 0.00 0.00 174.74 173.87 3miq s MET 218 N -3.96 0.47 -0.17 -0.38 1.75 0.37 -4.96 119.30 112.41 3miq s MET 218 Ca 0.15 0.11 -0.16 0.00 -1.25 0.00 0.00 55.69 54.54 3miq s MET 218 Cb 0.06 -0.77 -0.04 0.00 2.84 0.00 0.00 34.83 36.91 3miq s MET 218 CO -0.03 -0.24 0.40 0.08 -0.65 0.00 0.00 175.02 174.58 3miq s VAL 219 N 1.64 5.22 -0.10 10.11 1.01 -0.63 0.23 120.40 137.87 3miq s VAL 219 Ca -0.01 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3miq s VAL 219 Cb -0.13 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3miq s VAL 219 CO -0.03 0.30 -0.12 -0.22 0.00 0.00 0.00 175.10 175.02 3miq s LEU 220 N 0.94 1.56 -0.15 3.92 2.96 0.84 -1.50 118.68 127.25 3miq s LEU 220 Ca 0.21 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3miq s LEU 220 Cb -0.14 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 3miq s LEU 220 CO 0.08 -0.02 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.78 3miq s LEU 221 N 1.15 2.95 -0.03 -0.68 2.96 -0.58 -1.71 118.68 122.74 3miq s LEU 221 Ca -0.04 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3miq s LEU 221 Cb -0.14 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.86 3miq s LEU 221 CO -0.03 0.14 0.09 -0.70 -1.32 0.00 0.00 176.35 174.53 3miq s GLU 222 N 0.54 0.10 -0.10 1.98 2.12 -0.85 -0.32 118.70 122.16 3miq s GLU 222 Ca -0.06 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.44 3miq s GLU 222 Cb -0.15 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.28 3miq s GLU 222 CO 0.03 -0.03 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.50 3miq s PHE 223 N 0.14 2.02 -0.04 5.30 0.40 -0.26 -0.94 117.98 124.60 3miq s PHE 223 Ca -0.01 -0.90 0.02 0.00 -0.60 0.00 0.00 56.93 55.44 3miq s PHE 223 Cb -0.02 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.10 3miq s PHE 223 CO -0.00 -0.44 -0.07 0.08 0.70 0.00 0.00 175.22 175.49 3miq s VAL 224 N 0.80 0.67 0.05 -0.44 1.01 -0.61 -2.04 120.40 119.84 3miq s VAL 224 Ca -0.10 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3miq s VAL 224 Cb -0.16 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3miq s VAL 224 CO 0.01 0.24 -0.15 -0.89 0.00 0.00 0.00 175.10 174.31 3miq s THR 225 N 0.61 1.17 0.52 3.92 2.01 -0.71 -1.40 115.64 121.76 3miq s THR 225 Ca -0.09 -1.12 -0.07 0.00 0.31 0.00 0.00 61.69 60.72 3miq s THR 225 Cb -0.12 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3miq s THR 225 CO 0.01 -0.05 0.86 0.00 -0.69 0.00 0.00 174.62 174.75 3miq s ALA 226 N -0.97 3.31 0.10 7.40 0.00 -0.17 -0.78 121.76 130.64 3miq s ALA 226 Ca 0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 3miq s ALA 226 Cb -0.09 -2.75 0.08 0.00 0.00 0.00 0.00 23.12 20.37 3miq s ALA 226 CO 0.02 -0.43 1.15 0.00 0.00 0.00 0.00 175.76 176.50 3miq s ALA 227 N -2.84 -1.99 0.00 0.00 0.00 -0.04 -4.67 121.76 112.21 3miq s ALA 227 Ca 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3miq s ALA 227 Cb -0.10 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3miq s ALA 227 CO 0.46 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3miq n GLY 228 N -0.82 0.49 3.30 0.00 0.00 -1.26 -0.95 105.19 105.95 3miq n GLY 228 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3miq n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3miq s ILE 229 N -2.00 1.87 0.00 -0.61 1.01 -1.26 -4.83 121.20 115.38 3miq s ILE 229 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.25 3miq s ILE 229 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3miq s ILE 229 CO 0.00 0.16 0.49 0.35 0.00 0.00 0.00 174.94 175.94