#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miq n LYS 3 N 0.00 0.71 0.29 -1.46 4.81 -1.26 -4.11 118.16 117.14 3miq n LYS 3 Ca 0.00 0.21 0.19 0.00 -0.87 0.00 0.00 58.31 57.84 3miq n LYS 3 Cb 0.00 -1.64 0.84 0.00 0.02 0.00 0.00 35.03 34.25 3miq n LYS 3 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3miq h GLY 4 N 1.74 0.00 -0.50 3.14 0.00 -1.76 -2.78 103.07 102.90 3miq h GLY 4 Ca -0.47 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.07 3miq h GLY 4 CO 0.02 0.00 0.08 -2.09 0.00 0.00 0.00 176.54 174.55 3miq h GLU 5 N 0.00 0.12 0.00 4.80 4.81 -1.74 -1.05 114.58 121.51 3miq h GLU 5 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3miq h GLU 5 Cb 0.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3miq h GLU 5 CO 0.00 0.08 0.00 0.39 -0.73 0.00 0.00 179.01 178.75 3miq n GLU 6 N -5.34 0.13 0.17 1.92 1.02 -1.05 -1.56 120.64 115.93 3miq n GLU 6 Ca 0.18 0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 3miq n GLU 6 Cb 0.59 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.60 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 -2.87 -4.62 3.38 -1.41 -3.32 115.31 106.47 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 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3miq h LEU 7 CO 0.00 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.10 3miq n PHE 8 N -2.97 0.76 -0.29 1.13 3.01 -0.60 -4.53 117.46 113.96 3miq n PHE 8 Ca 0.02 -0.53 0.26 0.00 1.01 0.00 0.00 57.45 58.21 3miq n PHE 8 Cb 0.57 -0.05 0.60 0.00 -0.01 0.00 0.00 39.48 40.60 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 0.52 -1.76 4.37 1.35 -1.68 -3.38 112.91 115.35 3miq h THR 9 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3miq h THR 9 Cb 0.92 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3miq h THR 9 CO 0.03 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 3miq n GLY 10 N -1.59 6.22 3.70 5.82 0.00 -1.26 -4.80 105.19 113.28 3miq n GLY 10 Ca 0.23 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.19 3.93 -0.04 1.61 1.01 -1.26 -4.55 120.40 120.90 3miq s VAL 11 Ca 0.00 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.38 3miq s VAL 11 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3miq s VAL 11 CO 0.00 0.05 -0.22 -0.69 0.00 0.00 0.00 175.10 174.24 3miq s VAL 12 N 1.76 2.39 0.34 2.92 1.01 -0.74 -4.98 120.40 123.09 3miq s VAL 12 Ca 0.60 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3miq s VAL 12 Cb -0.29 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 3miq s VAL 12 CO 0.26 0.58 0.90 -2.84 0.00 0.00 0.00 175.10 174.00 3miq s PRO 13 N -0.54 4.39 -0.03 2.72 0.02 -1.26 -1.40 135.00 138.90 3miq s PRO 13 Ca 0.08 1.15 0.07 0.00 0.02 0.00 0.00 61.00 62.31 3miq s PRO 13 Cb -0.11 -2.60 -0.01 0.00 0.02 0.00 0.00 34.50 31.79 3miq s PRO 13 CO 0.00 0.20 -0.23 0.42 -0.33 0.00 0.00 177.00 177.07 3miq s ILE 14 N -1.79 1.80 -0.04 2.83 1.01 0.12 -0.26 121.20 124.87 3miq s ILE 14 Ca 0.53 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3miq s ILE 14 Cb -0.15 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3miq s ILE 14 CO 0.20 0.51 -0.20 -0.76 0.00 0.00 0.00 174.94 174.69 3miq s LEU 15 N -0.42 1.99 -0.10 2.97 1.43 -0.01 -2.45 118.68 122.09 3miq s LEU 15 Ca 0.05 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3miq s LEU 15 Cb -0.10 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.06 3miq s LEU 15 CO 0.00 0.20 -0.12 -0.69 0.23 0.00 0.00 176.35 175.97 3miq s VAL 16 N -0.17 1.24 -0.10 -1.59 1.01 -0.40 -0.28 120.40 120.11 3miq s VAL 16 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3miq s VAL 16 Cb -0.11 -1.17 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 1.10 2.32 -0.06 2.72 0.41 0.05 -0.01 118.70 125.23 3miq s GLU 17 Ca -0.05 -0.61 -0.00 0.00 -0.41 0.00 0.00 54.97 53.90 3miq s GLU 17 Cb -0.14 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.31 3miq s GLU 17 CO -0.02 -0.01 -0.03 -1.17 -0.49 0.00 0.00 175.26 173.54 3miq s LEU 18 N 0.83 1.01 -0.22 1.80 2.96 0.06 0.15 118.68 125.27 3miq s LEU 18 Ca -0.10 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 3miq s LEU 18 Cb -0.16 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 3miq s LEU 18 CO 0.01 -0.12 0.06 -1.81 -1.32 0.00 0.00 176.35 173.16 3miq s ASP 19 N 1.43 5.21 0.07 3.68 -0.00 0.09 -0.89 116.67 126.27 3miq s ASP 19 Ca -0.03 -0.13 0.08 0.00 -0.00 0.00 0.00 52.55 52.47 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 0.04 -0.21 -0.83 -0.00 0.00 0.00 175.17 174.15 3miq s GLY 20 N 1.15 1.18 -0.20 0.21 0.00 0.11 -0.50 107.32 109.26 3miq s GLY 20 Ca 0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.58 3miq s GLY 20 CO 0.03 -1.12 0.05 -0.35 0.00 0.00 0.00 173.10 171.71 3miq s ASP 21 N -1.55 2.89 -0.24 1.64 -1.08 -0.58 -1.08 116.67 116.67 3miq s ASP 21 Ca 0.07 -0.85 0.01 0.00 -0.52 0.00 0.00 52.55 51.26 3miq s ASP 21 Cb -0.09 -0.54 0.04 0.00 -1.46 0.00 0.00 42.92 40.87 3miq s ASP 21 CO 0.03 -0.32 -0.11 -0.69 0.52 0.00 0.00 175.17 174.60 3miq s VAL 22 N 1.91 2.43 -1.48 1.11 1.01 -0.64 0.76 120.40 125.50 3miq s VAL 22 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 3miq s VAL 22 Cb -0.17 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3miq s VAL 22 CO -0.10 0.17 0.66 0.59 0.00 0.00 0.00 175.10 176.42 3miq n ASN 23 N 4.56 -5.53 0.00 3.32 4.13 0.35 -0.96 115.26 121.13 3miq n ASN 23 Ca -0.16 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.73 3miq n ASN 23 Cb 0.46 -4.47 0.00 0.00 -1.54 0.00 0.00 39.78 34.23 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 -1.50 1.00 3.58 7.41 0.00 -1.26 -4.97 105.19 109.44 3miq n GLY 24 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.95 2.88 0.33 1.61 3.76 -0.14 -5.03 115.29 115.76 3miq s HIS 25 Ca 0.00 0.54 -0.10 0.00 -0.15 0.00 0.00 55.06 55.35 3miq s HIS 25 Cb 0.00 -4.17 -0.07 0.00 1.11 0.00 0.00 32.58 29.45 3miq s HIS 25 CO 0.00 -1.17 0.68 0.15 -0.85 0.00 0.00 174.74 173.55 3miq s LYS 26 N 4.06 3.80 -0.02 1.40 1.02 -1.26 -1.62 119.74 127.13 3miq s LYS 26 Ca 0.42 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.50 3miq s LYS 26 Cb -0.09 -2.50 0.11 0.00 -0.52 0.00 0.00 37.83 34.83 3miq s LYS 26 CO 0.29 0.12 0.94 -0.59 -0.92 0.00 0.00 175.35 175.19 3miq s PHE 27 N -2.13 -0.30 0.02 3.18 -0.71 -0.24 -4.96 117.98 112.85 3miq s PHE 27 Ca 0.50 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.58 3miq s PHE 27 Cb -0.11 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 3miq s PHE 27 CO 0.26 -0.51 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.41 3miq s SER 28 N -2.48 1.17 0.01 1.98 0.01 -1.26 -0.72 113.70 112.41 3miq s SER 28 Ca 0.06 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3miq s SER 28 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 3miq s SER 28 CO -0.08 -0.01 -0.07 -0.69 0.41 0.00 0.00 173.24 172.80 3miq s VAL 29 N -0.74 0.57 0.05 3.43 1.01 -0.06 -1.18 120.40 123.48 3miq s VAL 29 Ca -0.01 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3miq s VAL 29 Cb -0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3miq s VAL 29 CO 0.00 0.06 -0.16 -0.44 0.00 0.00 0.00 175.10 174.57 3miq s SER 30 N -0.44 1.84 -0.01 3.32 0.01 -0.38 -0.76 113.70 117.28 3miq s SER 30 Ca 0.01 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.79 3miq s SER 30 Cb -0.04 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 3miq s SER 30 CO -0.00 0.04 -0.06 -0.83 0.41 0.00 0.00 173.24 172.81 3miq s GLY 31 N -1.24 0.28 0.12 3.44 0.00 0.98 -0.83 107.32 110.07 3miq s GLY 31 Ca 0.02 -0.23 0.10 0.00 0.00 0.00 0.00 44.72 44.61 3miq s GLY 31 CO 0.02 -0.18 -0.25 -0.54 0.00 0.00 0.00 173.10 172.15 3miq s GLU 32 N -0.09 1.31 0.00 2.90 2.02 -0.99 -1.27 118.70 122.58 3miq s GLU 32 Ca 0.02 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.72 3miq s GLU 32 Cb -0.03 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.46 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 0.96 -0.63 3.02 -1.39 0.00 -1.03 -1.78 105.19 104.35 3miq n GLY 33 Ca -0.18 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 0.42 0.12 1.61 2.02 -0.56 0.16 118.70 120.48 3miq s GLU 34 Ca 0.00 -0.62 0.10 0.00 0.02 0.00 0.00 54.97 54.48 3miq s GLU 34 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 3miq s GLU 34 CO 0.00 0.02 -0.26 0.20 0.02 0.00 0.00 175.26 175.24 3miq s GLY 35 N -1.33 1.51 -0.38 -1.39 0.00 -0.49 -1.53 107.32 103.71 3miq s GLY 35 Ca -0.10 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.20 3miq s GLY 35 CO -0.00 -1.41 0.25 -0.35 0.00 0.00 0.00 173.10 171.59 3miq s ASP 36 N -2.03 2.55 0.00 1.64 -1.08 0.13 -1.78 116.67 116.09 3miq s ASP 36 Ca 0.13 -2.48 0.00 0.00 -0.52 0.00 0.00 52.55 49.67 3miq s ASP 36 Cb -0.10 -0.44 0.00 0.00 -1.46 0.00 0.00 42.92 40.92 3miq s ASP 36 CO 0.06 -0.26 0.91 0.00 0.52 0.00 0.00 175.17 176.39 3miq n ALA 37 N 3.65 0.91 -0.04 3.66 0.00 -1.26 -0.47 120.51 126.97 3miq n ALA 37 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 3miq n ALA 37 Cb 0.40 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 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 1.42 -0.33 0.00 2.02 -1.87 -3.18 112.91 110.96 3miq h THR 38 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3miq h THR 38 Cb 0.11 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3miq h THR 38 CO 0.00 0.43 0.00 -1.22 0.37 0.00 0.00 175.52 175.10 3miq n TYR 39 N -4.56 0.42 -3.04 3.16 0.53 0.31 -4.95 117.16 109.03 3miq n TYR 39 Ca -0.08 -0.21 -0.20 0.00 -1.02 0.00 0.00 57.90 56.39 3miq n TYR 39 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.72 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 1.42 -0.50 3.55 2.72 0.00 0.38 -4.75 105.19 108.01 3miq n GLY 40 Ca 0.18 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.68 3.39 -0.03 1.61 2.20 -0.98 -1.81 119.74 118.44 3miq s LYS 41 Ca 0.27 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 3miq s LYS 41 Cb -0.14 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 3miq s LYS 41 CO 0.34 0.40 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.12 3miq s LEU 42 N -0.06 3.00 -0.09 5.43 1.43 -0.14 -0.69 118.68 127.56 3miq s LEU 42 Ca 0.02 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3miq s LEU 42 Cb -0.13 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.44 3miq s LEU 42 CO 0.03 0.32 0.00 0.42 0.23 0.00 0.00 176.35 177.35 3miq s THR 43 N -0.87 0.40 -0.00 5.49 -4.23 -0.58 -2.06 115.64 113.79 3miq s THR 43 Ca 0.14 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.61 3miq s THR 43 Cb -0.11 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.14 3miq s THR 43 CO 0.04 0.21 0.16 -0.76 -0.54 0.00 0.00 174.62 173.73 3miq s LEU 44 N 1.96 1.45 -0.11 4.79 1.43 -0.74 -1.50 118.68 125.95 3miq s LEU 44 Ca 0.04 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3miq s LEU 44 Cb -0.13 0.75 0.01 0.00 0.03 0.00 0.00 46.19 46.85 3miq s LEU 44 CO -0.06 -0.36 -0.19 -0.75 0.23 0.00 0.00 176.35 175.22 3miq s LYS 45 N -1.29 2.60 -0.12 1.70 2.20 -0.73 -0.03 119.74 124.07 3miq s LYS 45 Ca -0.14 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 54.75 3miq s LYS 45 Cb -0.07 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.13 3miq s LYS 45 CO 0.02 0.03 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.93 3miq s PHE 46 N 0.73 3.00 0.01 4.03 0.40 0.16 -2.34 117.98 123.97 3miq s PHE 46 Ca -0.11 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 3miq s PHE 46 Cb -0.16 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 3miq s PHE 46 CO 0.02 0.13 -0.16 0.42 0.70 0.00 0.00 175.22 176.34 3miq s ILE 47 N -0.16 2.97 -0.39 0.64 -1.09 -0.01 -0.42 121.20 122.75 3miq s ILE 47 Ca 0.03 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.23 3miq s ILE 47 Cb -0.13 -2.23 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 3miq s ILE 47 CO 0.03 0.42 0.71 0.00 -1.23 0.00 0.00 174.94 174.86 3miq n THR 49 N 5.79 0.00 0.14 0.00 -2.24 -0.32 -3.76 114.28 113.88 3miq n THR 49 Ca 0.01 -0.08 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 3miq n THR 49 Cb 0.48 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.65 0.50 0.00 4.28 -2.24 -1.25 -4.93 114.28 109.98 3miq n THR 50 Ca 0.21 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3miq n THR 50 Cb 0.21 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.55 0.11 3.75 3.38 0.00 -1.25 -4.98 105.19 106.76 3miq n GLY 51 Ca 0.09 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.03 1.61 2.20 -1.26 -4.34 119.74 122.44 3miq s LYS 52 Ca 0.00 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 3miq s LYS 52 Cb 0.00 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3miq s LYS 52 CO 0.00 0.31 1.26 -1.17 -0.36 0.00 0.00 175.35 175.39 3miq s LEU 53 N -0.17 4.30 0.00 5.43 2.96 -1.26 -4.93 118.68 125.01 3miq s LEU 53 Ca 0.39 1.92 0.24 0.00 -0.22 0.00 0.00 54.13 56.45 3miq s LEU 53 Cb -0.21 -3.56 1.42 0.00 0.50 0.00 0.00 46.19 44.34 3miq s LEU 53 CO 0.24 -0.61 1.92 -0.81 -1.32 0.00 0.00 176.35 175.76 3miq n PRO 54 N 5.14 1.00 -4.08 0.98 -0.04 -1.26 -4.78 135.00 131.96 3miq n PRO 54 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 3miq n PRO 54 Cb 0.45 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.00 0.29 0.40 0.52 -7.23 -1.26 -4.70 120.40 106.42 3miq s VAL 55 Ca 0.36 -1.64 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 3miq s VAL 55 Cb 0.16 -1.28 -0.08 0.00 0.56 0.00 0.00 36.38 35.74 3miq s VAL 55 CO 0.28 -0.86 1.19 -2.84 -0.31 0.00 0.00 175.10 172.55 3miq s PRO 56 N -3.36 4.02 0.21 4.82 0.02 -1.26 -4.91 135.00 134.53 3miq s PRO 56 Ca 0.03 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 3miq s PRO 56 Cb 0.04 -2.68 0.28 0.00 0.02 0.00 0.00 34.50 32.16 3miq s PRO 56 CO -0.07 -0.36 1.70 -1.49 -0.33 0.00 0.00 177.00 176.45 3miq h TRP 57 N 2.61 0.14 -0.32 6.54 4.06 -1.97 -2.31 115.95 124.70 3miq h TRP 57 Ca -0.49 0.04 0.09 0.00 2.06 0.00 0.00 58.89 60.59 3miq h TRP 57 Cb 1.24 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.41 3miq h TRP 57 CO 0.55 -0.06 0.33 -1.35 -3.56 0.00 0.00 178.44 174.35 3miq h PRO 58 N 0.22 0.00 0.00 0.49 0.11 -1.90 0.77 132.00 131.69 3miq h PRO 58 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3miq h PRO 58 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3miq h PRO 58 CO -0.42 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.62 3miq n THR 59 N -3.82 0.85 0.53 -1.15 -2.24 -0.87 -2.89 114.28 104.69 3miq n THR 59 Ca 0.05 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 3miq n THR 59 Cb 0.49 -1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 67.51 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 -2.08 0.54 0.05 3.22 4.77 0.26 -4.61 117.00 119.16 3miq n LEU 60 Ca 0.03 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 3miq n LEU 60 Cb 0.22 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3miq n LEU 60 CO 0.19 0.11 0.65 0.58 -1.33 0.00 0.00 177.39 177.59 3miq h VAL 61 N 0.00 0.30 0.00 4.08 2.07 -1.57 0.14 116.25 121.27 3miq h VAL 61 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3miq h VAL 61 Cb 0.74 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3miq h VAL 61 CO 0.00 0.00 -0.05 0.71 0.02 0.00 0.00 177.57 178.25 3miq h THR 62 N -0.46 0.90 0.05 2.57 1.35 -1.81 -2.40 112.91 113.10 3miq h THR 62 Ca 0.07 -0.20 -0.15 0.00 -0.55 0.00 0.00 66.41 65.58 3miq h THR 62 Cb 0.56 1.11 0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3miq h THR 62 CO -0.28 0.05 -0.63 0.74 -0.25 0.00 0.00 175.52 175.16 3miq h THR 63 N 0.00 1.48 0.00 6.82 2.02 -1.46 -3.46 112.91 118.30 3miq h THR 63 Ca -0.00 -2.23 -0.03 0.00 0.77 0.00 0.00 66.41 64.92 3miq h THR 63 Cb 0.11 2.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3miq h THR 63 CO 0.01 0.64 0.74 0.18 0.37 0.00 0.00 175.52 177.45 3miq n LEU 64 N -4.22 0.52 0.00 2.58 4.77 0.35 -5.02 117.00 115.98 3miq n LEU 64 Ca -0.11 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3miq n LEU 64 Cb 0.70 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3miq n LEU 64 CO 0.46 -0.58 0.00 1.33 -1.33 0.00 0.00 177.39 177.27 3miq n VAL 68 N 3.71 0.00 1.05 4.08 0.24 -1.26 -5.04 118.33 121.11 3miq n VAL 68 Ca 0.05 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.43 3miq n VAL 68 Cb 0.05 0.00 0.51 0.00 -1.47 0.00 0.00 33.84 32.93 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 0.49 0.00 7.34 6.02 -1.26 -2.10 117.38 127.87 3miq n GLN 69 Ca 0.00 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.11 3miq n GLN 69 Cb 0.00 -1.50 0.45 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.38 1.62 -2.38 0.00 3.72 -0.89 -4.71 117.46 113.45 3miq n PHE 71 Ca 0.07 -0.63 -0.40 0.00 -0.05 0.00 0.00 57.45 56.45 3miq n PHE 71 Cb 0.18 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 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 -0.87 7.03 -0.37 4.37 0.01 -1.02 -4.14 113.70 118.72 3miq s SER 72 Ca 0.52 2.36 -0.29 0.00 1.31 0.00 0.00 55.95 59.85 3miq s SER 72 Cb 0.35 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.97 3miq s SER 72 CO 0.23 -0.32 1.12 -0.60 0.41 0.00 0.00 173.24 174.08 3miq s ARG 73 N -1.70 3.94 -0.33 12.44 3.52 -0.38 -4.83 118.95 131.62 3miq s ARG 73 Ca 0.48 0.93 -0.14 0.00 -0.13 0.00 0.00 55.73 56.86 3miq s ARG 73 Cb -0.33 -3.80 -0.02 0.00 -1.56 0.00 0.00 34.95 29.24 3miq s ARG 73 CO 0.42 -1.08 0.33 0.71 -0.81 0.00 0.00 175.30 174.88 3miq s TYR 74 N 3.98 3.22 0.51 5.12 1.51 -1.26 -1.11 117.35 129.32 3miq s TYR 74 Ca 0.47 0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 56.35 3miq s TYR 74 Cb -0.11 -2.61 -0.09 0.00 -0.11 0.00 0.00 41.96 39.04 3miq s TYR 74 CO 0.21 -0.37 0.68 -2.30 -1.11 0.00 0.00 175.55 172.66 3miq n PRO 75 N 5.32 0.74 -0.34 -1.71 -0.02 -1.26 -4.72 135.00 133.00 3miq n PRO 75 Ca -0.10 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 3miq n PRO 75 Cb 0.50 -1.78 0.20 0.00 -0.02 0.00 0.00 33.50 32.40 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 0.65 0.88 0.02 2.55 5.19 -2.01 0.73 116.42 124.43 3miq h ASP 76 Ca -0.45 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3miq h ASP 76 Cb 1.38 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3miq h ASP 76 CO 0.50 0.50 0.00 0.00 -3.12 0.00 0.00 179.24 177.12 3miq n HIS 77 N -4.63 0.00 0.07 4.55 1.44 -1.26 -2.20 115.22 113.18 3miq n HIS 77 Ca 0.16 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.88 3miq n HIS 77 Cb 0.29 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.38 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 -1.02 0.33 0.10 -1.40 2.81 0.24 -4.80 117.12 113.38 3miq n MET 78 Ca 0.10 -0.51 0.07 0.00 -1.81 0.00 0.00 57.70 55.55 3miq n MET 78 Cb 0.05 -0.96 0.38 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.07 0.09 -0.24 0.03 5.02 -0.94 -0.42 118.16 121.63 3miq n LYS 79 Ca 0.01 0.58 0.07 0.00 -2.02 0.00 0.00 58.31 56.95 3miq n LYS 79 Cb 0.04 -1.79 0.20 0.00 -0.02 0.00 0.00 35.03 33.46 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 -1.99 2.09 0.00 1.97 0.00 -1.26 -3.42 117.38 114.77 3miq n GLN 80 Ca -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 57.00 55.37 3miq n GLN 80 Cb 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 28.89 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 0.79 0.00 -2.83 2.61 8.25 0.44 -4.66 115.22 119.82 3miq n HIS 81 Ca 0.15 -0.31 -0.44 0.00 -0.26 0.00 0.00 57.72 56.86 3miq n HIS 81 Cb 0.40 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 3miq n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3miq s ASP 82 N -0.62 7.00 0.15 0.41 -1.08 -1.22 -4.55 116.67 116.76 3miq s ASP 82 Ca 0.00 -2.82 -0.16 0.00 -0.52 0.00 0.00 52.55 49.05 3miq s ASP 82 Cb 0.00 -2.46 0.05 0.00 -1.46 0.00 0.00 42.92 39.05 3miq s ASP 82 CO 0.00 -0.88 1.76 0.15 0.52 0.00 0.00 175.17 176.71 3miq h PHE 83 N 7.30 0.25 -0.64 -5.34 3.57 -1.91 -3.16 116.94 117.01 3miq h PHE 83 Ca 0.36 0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.00 3miq h PHE 83 Cb 0.87 -0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.43 3miq h PHE 83 CO 1.21 0.12 -0.25 0.74 -2.23 0.00 0.00 178.31 177.90 3miq h PHE 84 N 0.30 -0.62 -0.25 0.41 0.04 -1.90 -1.46 116.94 113.46 3miq h PHE 84 Ca 0.16 0.07 -0.18 0.00 2.80 0.00 0.00 57.97 60.81 3miq h PHE 84 Cb 0.11 0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.64 3miq h PHE 84 CO -0.13 -0.34 -0.55 0.87 -0.60 0.00 0.00 178.31 177.56 3miq h LYS 85 N -0.08 0.82 0.00 1.51 1.57 -1.84 -3.25 116.57 115.31 3miq h LYS 85 Ca 0.29 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3miq h LYS 85 Cb 0.53 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3miq h LYS 85 CO -0.70 1.17 0.18 0.66 -0.57 0.00 0.00 179.45 180.19 3miq h SER 86 N 0.58 0.00 -0.61 0.86 4.64 -1.23 0.40 113.55 118.20 3miq h SER 86 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3miq h SER 86 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3miq h SER 86 CO 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3miq n ALA 87 N -1.85 3.54 -2.91 5.18 0.00 -1.17 -4.61 120.51 118.69 3miq n ALA 87 Ca -0.02 -1.76 -0.29 0.00 0.00 0.00 0.00 53.44 51.37 3miq n ALA 87 Cb 0.22 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.35 3.37 0.00 0.00 1.00 0.13 -0.05 119.30 121.40 3miq s MET 88 Ca 0.53 -0.53 0.28 0.00 0.00 0.00 0.00 55.69 55.96 3miq s MET 88 Cb 0.38 -2.97 0.95 0.00 0.00 0.00 0.00 34.83 33.19 3miq s MET 88 CO 0.20 0.57 1.69 -0.35 0.00 0.00 0.00 175.02 177.13 3miq n PRO 89 N 0.00 1.68 -0.32 2.03 -0.05 -1.26 -4.23 135.00 132.85 3miq n PRO 89 Ca -0.06 -1.03 -0.08 0.00 -0.05 0.00 0.00 63.50 62.28 3miq n PRO 89 Cb 0.52 -1.48 -0.08 0.00 -0.05 0.00 0.00 33.50 32.42 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 0.24 -0.33 0.00 0.54 4.07 -1.20 -2.27 120.64 121.68 3miq n GLU 90 Ca 0.18 1.27 0.00 0.00 -0.06 0.00 0.00 57.16 58.55 3miq n GLU 90 Cb 0.38 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 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 2.06 3.15 8.31 0.00 0.93 -4.65 105.19 113.80 3miq n GLY 91 Ca 0.02 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.85 0.87 -0.16 1.61 -0.85 0.01 -0.57 117.35 116.41 3miq s TYR 92 Ca 0.00 -0.80 -0.17 0.00 -0.52 0.00 0.00 57.07 55.58 3miq s TYR 92 Cb 0.00 -0.50 -0.04 0.00 0.38 0.00 0.00 41.96 41.80 3miq s TYR 92 CO 0.00 -0.12 0.45 0.08 -1.52 0.00 0.00 175.55 174.45 3miq s VAL 93 N -3.03 5.18 -0.26 -3.49 1.01 0.13 -1.30 120.40 118.65 3miq s VAL 93 Ca 0.07 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 3miq s VAL 93 Cb 0.01 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3miq s VAL 93 CO -0.03 0.28 -0.06 -1.58 0.00 0.00 0.00 175.10 173.71 3miq s GLN 94 N 0.99 2.65 -0.11 2.72 0.74 0.17 -1.49 119.66 125.33 3miq s GLN 94 Ca 0.23 -1.10 -0.01 0.00 0.05 0.00 0.00 55.36 54.53 3miq s GLN 94 Cb -0.15 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 3miq s GLN 94 CO 0.09 -0.48 -0.08 -1.21 -0.55 0.00 0.00 175.29 173.06 3miq s GLU 95 N 1.27 3.19 0.10 1.67 2.02 0.58 -0.70 118.70 126.83 3miq s GLU 95 Ca -0.02 -0.59 0.06 0.00 0.02 0.00 0.00 54.97 54.43 3miq s GLU 95 Cb -0.18 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 3miq s GLU 95 CO -0.04 0.41 -0.15 1.03 0.02 0.00 0.00 175.26 176.53 3miq s ARG 96 N -0.13 0.96 -0.14 1.61 0.52 -0.33 0.04 118.95 121.49 3miq s ARG 96 Ca 0.01 -1.14 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 3miq s ARG 96 Cb -0.13 -0.92 0.02 0.00 0.52 0.00 0.00 34.95 34.44 3miq s ARG 96 CO 0.03 0.19 -0.15 0.99 0.02 0.00 0.00 175.30 176.38 3miq s THR 97 N -1.77 1.57 -0.23 0.02 2.01 -0.17 -0.68 115.64 116.40 3miq s THR 97 Ca 0.05 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 3miq s THR 97 Cb -0.07 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 3miq s THR 97 CO 0.03 0.46 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.74 3miq s ILE 98 N 1.32 3.27 -0.33 1.82 1.01 0.14 -1.72 121.20 126.72 3miq s ILE 98 Ca 0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 3miq s ILE 98 Cb -0.13 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3miq s ILE 98 CO -0.08 0.38 0.23 -0.36 0.00 0.00 0.00 174.94 175.11 3miq s PHE 99 N 1.45 3.23 -0.18 3.97 0.08 -0.21 -1.12 117.98 125.20 3miq s PHE 99 Ca 0.05 -0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.74 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 -0.04 -0.32 0.65 -0.06 -0.10 0.00 0.00 175.22 175.35 3miq s PHE 100 N 1.73 3.41 0.21 0.36 0.40 -0.44 -0.59 117.98 123.06 3miq s PHE 100 Ca 0.06 0.99 -0.32 0.00 -0.60 0.00 0.00 56.93 57.06 3miq s PHE 100 Cb -0.17 -2.80 -0.13 0.00 0.51 0.00 0.00 43.02 40.43 3miq s PHE 100 CO 0.11 -0.13 1.64 1.17 0.70 0.00 0.00 175.22 178.71 3miq n LYS 101 N 4.84 2.53 -2.13 0.44 3.00 -0.37 -1.53 118.16 124.94 3miq n LYS 101 Ca -0.01 0.91 -0.20 0.00 -0.00 0.00 0.00 58.31 59.01 3miq n LYS 101 Cb 0.50 -2.71 -0.03 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 3.42 -5.67 0.00 3.14 8.00 -1.26 -4.88 116.55 119.29 3miq n ASP 102 Ca 0.15 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.80 3miq n ASP 102 Cb 0.33 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 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 -1.68 0.00 -2.25 -2.24 -0.08 -0.58 -4.95 116.55 104.76 3miq n ASP 103 Ca -0.23 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.02 3miq n ASP 103 Cb 0.68 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.16 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 -0.30 3.08 0.27 0.00 -1.16 -4.63 105.19 102.45 3miq n GLY 104 Ca 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.51 1.03 -0.16 1.61 2.20 -1.02 -1.33 114.94 115.76 3miq s ASN 105 Ca 0.08 -0.51 -0.07 0.00 -0.94 0.00 0.00 52.86 51.42 3miq s ASN 105 Cb -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 41.25 39.21 3miq s ASN 105 CO 0.06 -0.14 0.08 -0.31 -2.94 0.00 0.00 177.10 173.84 3miq s TYR 106 N -1.21 3.33 -0.13 1.54 2.02 -0.27 -1.93 117.35 120.69 3miq s TYR 106 Ca -0.07 0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3miq s TYR 106 Cb -0.09 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3miq s TYR 106 CO 0.01 0.32 -0.13 0.15 -1.57 0.00 0.00 175.55 174.32 3miq s LYS 107 N -0.04 3.38 0.05 -0.62 1.02 0.51 0.27 119.74 124.32 3miq s LYS 107 Ca 0.07 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.43 3miq s LYS 107 Cb -0.12 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 3miq s LYS 107 CO 0.01 0.21 -0.15 0.95 -0.92 0.00 0.00 175.35 175.45 3miq s THR 108 N 0.36 1.17 -0.06 2.17 -4.23 0.15 -1.15 115.64 114.04 3miq s THR 108 Ca -0.11 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 3miq s THR 108 Cb -0.16 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 72.62 3miq s THR 108 CO 0.06 -0.07 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.38 3miq s ARG 109 N -1.39 1.35 0.04 3.99 3.52 -0.06 -1.19 118.95 125.20 3miq s ARG 109 Ca 0.01 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3miq s ARG 109 Cb -0.09 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 32.07 3miq s ARG 109 CO 0.02 -0.05 -0.05 0.00 -0.81 0.00 0.00 175.30 174.41 3miq s ALA 110 N 0.88 0.42 -0.12 6.12 0.00 0.12 -0.50 121.76 128.68 3miq s ALA 110 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3miq s ALA 110 Cb -0.15 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3miq s ALA 110 CO 0.01 -0.15 -0.14 -1.21 0.00 0.00 0.00 175.76 174.27 3miq s GLU 111 N -2.10 3.28 -0.22 0.00 2.02 -0.19 -0.65 118.70 120.83 3miq s GLU 111 Ca -0.08 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.24 3miq s GLU 111 Cb -0.06 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.63 3miq s GLU 111 CO -0.02 0.26 -0.12 0.08 0.02 0.00 0.00 175.26 175.47 3miq s VAL 112 N 0.23 1.94 0.38 2.63 1.01 -0.42 -1.12 120.40 125.05 3miq s VAL 112 Ca -0.09 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 3miq s VAL 112 Cb -0.15 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.30 3miq s VAL 112 CO 0.05 0.15 0.77 -1.59 0.00 0.00 0.00 175.10 174.48 3miq s LYS 113 N 1.25 2.19 -0.15 2.72 -2.85 -0.83 -0.81 119.74 121.26 3miq s LYS 113 Ca -0.03 -1.42 -0.18 0.00 -1.00 0.00 0.00 55.97 53.33 3miq s LYS 113 Cb -0.17 0.62 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 3miq s LYS 113 CO -0.08 -1.02 0.49 -0.06 0.10 0.00 0.00 175.35 174.78 3miq s PHE 114 N -2.47 3.45 -0.74 1.78 0.08 -0.96 -0.24 117.98 118.88 3miq s PHE 114 Ca 0.16 0.83 -0.09 0.00 0.12 0.00 0.00 56.93 57.95 3miq s PHE 114 Cb -0.05 -2.59 0.19 0.00 -0.57 0.00 0.00 43.02 40.00 3miq s PHE 114 CO 0.12 0.06 0.63 -1.21 -0.10 0.00 0.00 175.22 174.72 3miq s GLU 115 N 1.03 3.17 6.32 0.44 0.41 -0.50 -4.94 118.70 124.63 3miq s GLU 115 Ca 0.25 -2.50 0.00 0.00 -0.41 0.00 0.00 54.97 52.31 3miq s GLU 115 Cb -0.15 -4.14 0.00 0.00 -1.78 0.00 0.00 34.13 28.06 3miq s GLU 115 CO 0.10 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.04 3miq n GLY 116 N 3.76 1.78 0.59 -1.39 0.00 -1.26 -2.65 105.19 106.01 3miq n GLY 116 Ca 0.11 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 10.72 2.30 -4.78 1.61 8.00 -1.26 -4.95 116.55 128.18 3miq n ASP 117 Ca 0.00 -1.64 -0.36 0.00 0.71 0.00 0.00 54.79 53.50 3miq n ASP 117 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.12 5.00 -0.22 -3.53 2.01 -1.09 -4.28 115.64 112.41 3miq s THR 118 Ca 0.18 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 3miq s THR 118 Cb 0.12 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 3miq s THR 118 CO 0.18 0.59 0.69 -0.22 -0.69 0.00 0.00 174.62 175.16 3miq s LEU 119 N -0.76 4.11 -0.11 4.42 1.98 0.64 -1.41 118.68 127.53 3miq s LEU 119 Ca 0.13 0.86 0.02 0.00 -2.89 0.00 0.00 54.13 52.25 3miq s LEU 119 Cb -0.12 -2.97 0.01 0.00 0.66 0.00 0.00 46.19 43.78 3miq s LEU 119 CO 0.03 -0.37 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.26 3miq s VAL 120 N 2.32 1.63 -0.39 1.68 1.01 0.66 -0.83 120.40 126.48 3miq s VAL 120 Ca 0.30 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3miq s VAL 120 Cb -0.16 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.80 3miq s VAL 120 CO 0.09 0.47 0.23 0.21 0.00 0.00 0.00 175.10 176.10 3miq s ASN 121 N 0.90 5.69 -0.23 3.32 2.47 0.61 -1.98 114.94 125.73 3miq s ASN 121 Ca -0.08 -1.20 -0.07 0.00 0.42 0.00 0.00 52.86 51.93 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 -0.45 0.07 -0.13 -3.72 0.00 0.00 177.10 172.86 3miq s ARG 122 N 1.50 3.73 -0.07 0.43 0.52 -0.27 -0.77 118.95 124.02 3miq s ARG 122 Ca 0.02 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 3miq s ARG 122 Cb -0.21 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3miq s ARG 122 CO 0.05 -0.08 -0.13 0.42 0.02 0.00 0.00 175.30 175.58 3miq s ILE 123 N 1.32 1.19 -0.23 1.52 1.01 0.12 -1.02 121.20 125.11 3miq s ILE 123 Ca 0.05 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3miq s ILE 123 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3miq s ILE 123 CO 0.04 0.37 0.11 -0.70 0.00 0.00 0.00 174.94 174.75 3miq s GLU 124 N 0.66 3.88 -0.07 2.79 2.12 0.35 -0.73 118.70 127.70 3miq s GLU 124 Ca -0.15 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.86 3miq s GLU 124 Cb -0.16 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 3miq s GLU 124 CO 0.04 -0.00 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.38 3miq s LEU 125 N 1.17 1.97 -0.12 2.70 0.20 0.34 -0.88 118.68 124.06 3miq s LEU 125 Ca 0.06 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.43 3miq s LEU 125 Cb -0.14 -1.22 0.01 0.00 -0.43 0.00 0.00 46.19 44.41 3miq s LEU 125 CO 0.04 0.15 -0.18 -0.75 -0.29 0.00 0.00 176.35 175.33 3miq s LYS 126 N 0.24 2.56 -0.12 1.98 2.47 -0.30 -1.52 119.74 125.04 3miq s LYS 126 Ca -0.12 -0.69 0.01 0.00 -1.56 0.00 0.00 55.97 53.61 3miq s LYS 126 Cb -0.16 -2.12 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 0.91 1.05 0.36 5.54 0.00 0.23 -0.36 107.32 115.05 3miq s GLY 127 Ca -0.07 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.92 3miq s GLY 127 CO -0.02 0.40 0.04 -0.26 0.00 0.00 0.00 173.10 173.27 3miq s ILE 128 N 1.25 1.47 -1.44 0.90 -4.36 -0.82 0.13 121.20 118.34 3miq s ILE 128 Ca -0.01 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.32 3miq s ILE 128 Cb -0.14 -2.86 0.01 0.00 1.25 0.00 0.00 42.46 40.72 3miq s ILE 128 CO -0.06 0.00 0.78 0.47 0.24 0.00 0.00 174.94 176.38 3miq n ASP 129 N -0.81 -6.10 -4.86 4.36 10.43 -1.26 -2.43 116.55 115.89 3miq n ASP 129 Ca -0.03 -0.36 -0.37 0.00 2.57 0.00 0.00 54.79 56.59 3miq n ASP 129 Cb 0.67 -4.85 -0.06 0.00 1.84 0.00 0.00 41.12 38.72 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 -3.21 3.66 -0.04 1.24 0.40 -1.26 -2.98 117.98 115.78 3miq s PHE 130 Ca 0.39 0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 57.23 3miq s PHE 130 Cb -0.17 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 3miq s PHE 130 CO 0.48 0.64 1.27 0.15 0.70 0.00 0.00 175.22 178.47 3miq s LYS 131 N -1.27 4.32 0.63 0.44 1.02 -1.26 -4.91 119.74 118.71 3miq s LYS 131 Ca 0.24 1.77 0.40 0.00 0.02 0.00 0.00 55.97 58.40 3miq s LYS 131 Cb -0.15 -3.57 2.13 0.00 -0.52 0.00 0.00 37.83 35.71 3miq s LYS 131 CO 0.12 -0.50 2.28 0.93 -0.92 0.00 0.00 175.35 177.26 3miq h GLU 132 N 7.63 0.00 -0.14 1.68 4.39 -1.97 -0.26 114.58 125.91 3miq h GLU 132 Ca -0.35 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 3miq h GLU 132 Cb 1.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 3miq h GLU 132 CO 0.89 0.01 -0.21 -3.47 -1.16 0.00 0.00 179.01 175.07 3miq n ASP 133 N -3.20 2.32 -3.17 1.42 4.64 -1.26 -4.08 116.55 113.22 3miq n ASP 133 Ca -0.02 -3.61 -0.17 0.00 -1.38 0.00 0.00 54.79 49.60 3miq n ASP 133 Cb 0.12 -0.55 0.12 0.00 -1.04 0.00 0.00 41.12 39.78 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 -1.12 -1.21 0.27 0.27 0.00 -0.11 -4.76 105.19 98.53 3miq n GLY 134 Ca 0.23 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.00 0.67 0.06 1.61 2.35 -1.93 -0.80 115.58 116.54 3miq h ASN 135 Ca -0.25 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3miq h ASN 135 Cb 0.71 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3miq h ASN 135 CO 0.18 0.79 -0.03 0.40 -1.65 0.00 0.00 177.43 177.13 3miq h ILE 136 N 0.63 0.00 0.00 2.81 5.03 -1.93 0.16 117.51 124.21 3miq h ILE 136 Ca 0.12 -0.16 -0.01 0.00 -0.12 0.00 0.00 64.86 64.68 3miq h ILE 136 Cb 0.51 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.30 3miq h ILE 136 CO 0.03 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.40 3miq h LEU 137 N -0.24 0.00 -1.20 1.44 3.38 -1.77 -0.99 115.31 115.93 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3miq h LEU 137 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3miq n GLY 138 N -0.81 0.26 3.57 0.83 0.00 -0.30 -4.91 105.19 103.82 3miq n GLY 138 Ca -0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 0.45 -2.15 -0.17 1.61 8.25 -0.38 -4.93 115.22 117.91 3miq n HIS 139 Ca 0.18 0.65 0.04 0.00 -0.26 0.00 0.00 57.72 58.32 3miq n HIS 139 Cb 0.41 -3.49 0.10 0.00 1.12 0.00 0.00 29.99 28.12 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 -3.48 2.88 -2.82 -0.41 5.02 0.50 -5.02 118.16 114.83 3miq n LYS 140 Ca -0.11 -1.89 -0.32 0.00 -2.02 0.00 0.00 58.31 53.97 3miq n LYS 140 Cb 0.59 -1.20 -0.05 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 -1.13 3.88 0.36 -0.35 1.43 -1.26 -0.95 118.68 120.68 3miq s LEU 141 Ca 0.15 1.44 -0.24 0.00 -1.03 0.00 0.00 54.13 54.45 3miq s LEU 141 Cb 0.09 -4.31 -0.10 0.00 0.03 0.00 0.00 46.19 41.90 3miq s LEU 141 CO 0.09 -0.37 0.96 -1.61 0.23 0.00 0.00 176.35 175.64 3miq s GLU 142 N -3.45 4.43 -1.30 1.70 2.02 0.59 -4.69 118.70 118.00 3miq s GLU 142 Ca 0.57 1.28 -0.18 0.00 0.02 0.00 0.00 54.97 56.66 3miq s GLU 142 Cb -0.10 -2.58 0.07 0.00 0.10 0.00 0.00 34.13 31.63 3miq s GLU 142 CO 0.22 0.14 1.73 -0.47 0.02 0.00 0.00 175.26 176.90 3miq s TYR 143 N -1.80 2.79 0.06 1.61 5.04 -1.26 -4.82 117.35 118.98 3miq s TYR 143 Ca 0.55 -1.63 -0.26 0.00 -2.44 0.00 0.00 57.07 53.29 3miq s TYR 143 Cb -0.16 -4.75 0.09 0.00 0.35 0.00 0.00 41.96 37.49 3miq s TYR 143 CO 0.21 -1.80 1.19 0.54 -1.34 0.00 0.00 175.55 174.34 3miq s ASN 144 N 4.21 0.00 -0.06 4.32 2.20 -1.26 -4.82 114.94 119.54 3miq s ASN 144 Ca 0.54 -0.39 -0.14 0.00 -0.94 0.00 0.00 52.86 51.93 3miq s ASN 144 Cb 0.04 0.29 0.03 0.00 -2.00 0.00 0.00 41.25 39.60 3miq s ASN 144 CO 0.08 -0.57 0.33 -0.47 -2.94 0.00 0.00 177.10 173.53 3miq s TYR 145 N -2.09 -0.27 0.53 1.54 6.14 -1.26 -4.85 117.35 117.09 3miq s TYR 145 Ca 0.26 0.56 0.09 0.00 0.64 0.00 0.00 57.07 58.62 3miq s TYR 145 Cb -0.01 0.11 0.06 0.00 0.42 0.00 0.00 41.96 42.55 3miq s TYR 145 CO 0.02 -0.31 0.72 -0.80 0.64 0.00 0.00 175.55 175.82 3miq s ASN 146 N -0.70 5.23 -0.20 4.32 0.01 -1.26 -4.52 114.94 117.82 3miq s ASN 146 Ca -0.08 -0.75 -0.05 0.00 -0.71 0.00 0.00 52.86 51.27 3miq s ASN 146 Cb -0.04 0.05 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 3miq s ASN 146 CO 0.03 -1.18 -0.01 -0.44 -1.51 0.00 0.00 177.10 173.99 3miq s SER 147 N -4.57 4.75 0.26 -1.22 0.01 -1.26 -4.18 113.70 107.48 3miq s SER 147 Ca 0.59 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.68 3miq s SER 147 Cb -0.07 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 3miq s SER 147 CO 0.37 0.05 -0.05 -1.00 0.41 0.00 0.00 173.24 173.01 3miq s HIS 148 N 1.10 1.82 -0.32 2.43 3.76 -1.14 -4.91 115.29 118.03 3miq s HIS 148 Ca 0.02 -0.74 -0.07 0.00 -0.15 0.00 0.00 55.06 54.13 3miq s HIS 148 Cb -0.14 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.55 3miq s HIS 148 CO 0.01 0.21 0.10 -0.80 -0.85 0.00 0.00 174.74 173.41 3miq s ASN 149 N -3.39 5.24 -0.39 1.40 0.01 -1.26 -0.36 114.94 116.19 3miq s ASN 149 Ca 0.28 -0.97 -0.23 0.00 -0.71 0.00 0.00 52.86 51.23 3miq s ASN 149 Cb 0.04 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.84 3miq s ASN 149 CO 0.10 -0.28 0.79 -0.69 -1.51 0.00 0.00 177.10 175.52 3miq s VAL 150 N 1.44 4.70 -0.33 1.60 1.01 0.14 -4.71 120.40 124.25 3miq s VAL 150 Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 3miq s VAL 150 Cb -0.19 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.95 3miq s VAL 150 CO 0.03 -0.52 0.86 -0.47 0.00 0.00 0.00 175.10 175.00 3miq s TYR 151 N 3.18 3.16 0.05 5.22 5.04 -0.90 0.13 117.35 133.23 3miq s TYR 151 Ca 0.31 0.82 0.04 0.00 -2.44 0.00 0.00 57.07 55.80 3miq s TYR 151 Cb -0.13 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 38.74 3miq s TYR 151 CO 0.19 -0.67 -0.01 0.42 -1.34 0.00 0.00 175.55 174.13 3miq s ILE 152 N 3.19 3.99 -0.11 3.14 1.01 -0.26 -1.61 121.20 130.54 3miq s ILE 152 Ca 0.35 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 3miq s ILE 152 Cb -0.13 -2.84 0.07 0.00 0.01 0.00 0.00 42.46 39.56 3miq s ILE 152 CO 0.15 0.24 0.65 -0.32 0.00 0.00 0.00 174.94 175.66 3miq s MET 153 N -1.93 0.94 0.13 2.79 1.75 -0.89 -2.36 119.30 119.73 3miq s MET 153 Ca 0.22 0.45 -0.22 0.00 -1.25 0.00 0.00 55.69 54.89 3miq s MET 153 Cb -0.12 0.45 -0.07 0.00 2.84 0.00 0.00 34.83 37.93 3miq s MET 153 CO 0.14 -0.24 0.67 0.00 -0.65 0.00 0.00 175.02 174.94 3miq s ALA 154 N -0.70 3.51 -0.78 4.11 0.00 -1.25 -0.94 121.76 125.71 3miq s ALA 154 Ca -0.08 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.08 3miq s ALA 154 Cb -0.02 -2.78 0.19 0.00 0.00 0.00 0.00 23.12 20.51 3miq s ALA 154 CO 0.07 0.35 0.63 -3.47 0.00 0.00 0.00 175.76 173.34 3miq n ASP 155 N 1.49 3.55 -0.03 0.00 4.64 0.15 -4.68 116.55 121.66 3miq n ASP 155 Ca -0.07 -3.20 0.16 0.00 -1.38 0.00 0.00 54.79 50.30 3miq n ASP 155 Cb 0.50 -0.87 0.60 0.00 -1.04 0.00 0.00 41.12 40.31 3miq n ASP 155 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3miq h LYS 156 N 5.53 0.18 -0.01 -0.67 1.57 -1.96 0.20 116.57 121.42 3miq h LYS 156 Ca 0.16 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3miq h LYS 156 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3miq h LYS 156 CO 0.78 0.12 -0.23 0.37 -0.57 0.00 0.00 179.45 179.93 3miq h GLN 157 N 0.19 0.01 -0.30 3.15 4.15 -1.93 -2.52 115.11 117.87 3miq h GLN 157 Ca 0.26 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3miq h GLN 157 Cb 0.78 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3miq h GLN 157 CO -0.04 0.24 0.00 1.63 -1.93 0.00 0.00 178.83 178.73 3miq n LYS 158 N -4.26 2.30 -3.73 1.69 5.02 -0.03 -4.96 118.16 114.19 3miq n LYS 158 Ca -0.02 -1.92 -0.25 0.00 -2.02 0.00 0.00 58.31 54.10 3miq n LYS 158 Cb 0.29 -1.30 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 0.72 -3.83 0.00 4.39 5.15 -0.66 -4.75 115.26 116.28 3miq n ASN 159 Ca 0.12 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 3miq n ASN 159 Cb 0.42 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 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 -1.67 3.44 3.11 8.20 0.00 -0.96 -4.25 105.19 113.05 3miq n GLY 160 Ca -0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.15 1.02 -0.19 -0.61 -4.36 -0.47 0.32 121.20 115.77 3miq s ILE 161 Ca 0.00 -0.74 -0.14 0.00 -0.26 0.00 0.00 60.65 59.51 3miq s ILE 161 Cb 0.00 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 3miq s ILE 161 CO 0.00 0.14 0.30 -0.54 0.24 0.00 0.00 174.94 175.09 3miq s LYS 162 N -0.68 4.19 0.05 0.37 1.02 -0.11 -1.63 119.74 122.96 3miq s LYS 162 Ca 0.03 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.16 3miq s LYS 162 Cb -0.06 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3miq s LYS 162 CO 0.00 0.11 -0.23 0.08 -0.92 0.00 0.00 175.35 174.39 3miq s VAL 163 N 0.88 1.85 -0.12 3.17 1.01 0.62 -2.10 120.40 125.72 3miq s VAL 163 Ca 0.16 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 3miq s VAL 163 Cb -0.14 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.69 3miq s VAL 163 CO 0.05 0.22 0.50 0.54 0.00 0.00 0.00 175.10 176.42 3miq s ASN 164 N -1.31 -0.48 0.10 3.32 4.22 -0.63 -0.56 114.94 119.60 3miq s ASN 164 Ca 0.09 0.73 -0.26 0.00 -2.14 0.00 0.00 52.86 51.28 3miq s ASN 164 Cb -0.09 0.75 0.09 0.00 1.28 0.00 0.00 41.25 43.27 3miq s ASN 164 CO 0.02 -0.35 1.12 0.72 -2.04 0.00 0.00 177.10 176.58 3miq s PHE 165 N -0.47 -0.00 -0.12 1.54 -0.71 -1.14 -2.12 117.98 114.96 3miq s PHE 165 Ca -0.06 -0.26 -0.00 0.00 -1.04 0.00 0.00 56.93 55.56 3miq s PHE 165 Cb -0.03 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.43 3miq s PHE 165 CO 0.04 -0.64 -0.07 0.15 -1.34 0.00 0.00 175.22 173.35 3miq s LYS 166 N -2.43 1.49 0.11 1.99 1.02 -1.26 -0.66 119.74 120.00 3miq s LYS 166 Ca 0.20 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.65 3miq s LYS 166 Cb -0.00 -1.63 -0.07 0.00 -0.52 0.00 0.00 37.83 35.61 3miq s LYS 166 CO 0.02 -0.29 0.80 0.42 -0.92 0.00 0.00 175.35 175.38 3miq s ILE 167 N 1.71 4.53 -0.38 2.17 -1.09 -0.42 -4.90 121.20 122.81 3miq s ILE 167 Ca 0.04 1.74 -0.09 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 -0.08 0.43 0.19 -0.13 -1.23 0.00 0.00 174.94 174.12 3miq s ARG 168 N -0.54 2.69 -0.21 2.79 0.52 -1.26 -1.33 118.95 121.62 3miq s ARG 168 Ca 0.39 -1.22 -0.18 0.00 -0.52 0.00 0.00 55.73 54.19 3miq s ARG 168 Cb -0.22 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 3miq s ARG 168 CO 0.26 -0.77 0.51 -1.01 0.02 0.00 0.00 175.30 174.31 3miq s HIS 169 N 1.47 3.36 -0.02 -0.53 3.76 -0.19 -4.52 115.29 118.62 3miq s HIS 169 Ca 0.01 0.75 -0.30 0.00 -0.15 0.00 0.00 55.06 55.37 3miq s HIS 169 Cb -0.20 -2.67 -0.06 0.00 1.11 0.00 0.00 32.58 30.76 3miq s HIS 169 CO 0.04 -0.12 1.51 -0.80 -0.85 0.00 0.00 174.74 174.52 3miq s ASN 170 N 1.19 6.76 0.04 1.40 0.01 -1.26 -0.57 114.94 122.51 3miq s ASN 170 Ca 0.23 2.17 -0.06 0.00 -0.71 0.00 0.00 52.86 54.49 3miq s ASN 170 Cb -0.15 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 3miq s ASN 170 CO 0.09 -0.81 0.29 -0.63 -1.51 0.00 0.00 177.10 174.53 3miq s ILE 171 N 3.05 5.27 -0.82 0.60 1.09 0.08 -0.30 121.20 130.16 3miq s ILE 171 Ca 0.68 0.13 0.12 0.00 -1.10 0.00 0.00 60.65 60.48 3miq s ILE 171 Cb -0.32 -3.59 0.11 0.00 -1.06 0.00 0.00 42.46 37.60 3miq s ILE 171 CO 0.27 0.29 1.36 -1.84 -0.10 0.00 0.00 174.94 174.93 3miq n GLU 172 N 0.88 0.05 -0.20 2.79 0.28 -0.12 -1.72 120.64 122.58 3miq n GLU 172 Ca -0.09 0.41 0.09 0.00 -0.16 0.00 0.00 57.16 57.41 3miq n GLU 172 Cb 0.52 -1.61 0.26 0.00 1.43 0.00 0.00 31.44 32.04 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 -1.70 2.54 0.00 -1.84 5.75 -1.26 -4.90 116.55 115.13 3miq n ASP 173 Ca 0.01 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3miq n ASP 173 Cb 0.10 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.29 2.67 3.92 6.12 0.00 -0.70 -5.07 105.19 113.41 3miq n GLY 174 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.28 3.99 0.02 1.61 1.04 -1.24 -4.85 113.70 112.99 3miq s SER 175 Ca 0.00 0.53 0.04 0.00 0.48 0.00 0.00 55.95 57.00 3miq s SER 175 Cb 0.00 -0.86 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 3miq s SER 175 CO 0.00 -2.20 -0.12 0.68 0.98 0.00 0.00 173.24 172.57 3miq s VAL 176 N -3.67 0.96 -0.18 5.02 -7.23 -1.26 -0.74 120.40 113.30 3miq s VAL 176 Ca 0.67 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.98 3miq s VAL 176 Cb -0.08 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 3miq s VAL 176 CO 0.50 0.04 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.70 3miq s GLN 177 N -0.89 3.50 -0.05 4.82 0.74 0.26 -4.93 119.66 123.12 3miq s GLN 177 Ca 0.01 -0.59 -0.25 0.00 0.05 0.00 0.00 55.36 54.58 3miq s GLN 177 Cb -0.07 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 3miq s GLN 177 CO 0.01 0.06 0.79 -0.51 -0.55 0.00 0.00 175.29 175.08 3miq s LEU 178 N 0.82 4.33 -0.41 3.68 1.02 -1.26 -1.02 118.68 125.83 3miq s LEU 178 Ca -0.02 1.33 -0.08 0.00 0.02 0.00 0.00 54.13 55.38 3miq s LEU 178 Cb -0.15 -3.23 0.08 0.00 0.02 0.00 0.00 46.19 42.91 3miq s LEU 178 CO 0.02 -0.17 0.24 0.00 0.02 0.00 0.00 176.35 176.45 3miq s ALA 179 N 0.92 3.25 -0.37 4.21 0.00 -0.44 -1.23 121.76 128.10 3miq s ALA 179 Ca 0.42 -2.18 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 3miq s ALA 179 Cb -0.19 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.36 3miq s ALA 179 CO 0.21 -1.65 0.89 0.34 0.00 0.00 0.00 175.76 175.55 3miq s ASP 180 N 2.05 6.64 -0.06 0.00 2.15 0.24 -1.30 116.67 126.39 3miq s ASP 180 Ca 0.03 0.50 -0.12 0.00 0.43 0.00 0.00 52.55 53.39 3miq s ASP 180 Cb -0.23 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 3miq s ASP 180 CO 0.01 -0.84 0.31 -1.00 -0.17 0.00 0.00 175.17 173.49 3miq s HIS 181 N 3.40 3.64 -0.08 -5.34 3.76 0.17 -1.05 115.29 119.79 3miq s HIS 181 Ca 0.36 0.79 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 3miq s HIS 181 Cb -0.12 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.38 3miq s HIS 181 CO 0.19 0.59 -0.11 0.71 -0.85 0.00 0.00 174.74 175.27 3miq s TYR 182 N -0.75 1.51 -0.01 1.40 2.02 -0.70 -2.89 117.35 117.94 3miq s TYR 182 Ca 0.20 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3miq s TYR 182 Cb -0.15 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 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 1.02 0.14 -0.04 -0.62 0.74 0.28 -1.00 119.66 120.19 3miq s GLN 183 Ca -0.08 -0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.35 3miq s GLN 183 Cb -0.15 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.79 3miq s GLN 183 CO -0.01 0.01 -0.19 -0.65 -0.55 0.00 0.00 175.29 173.90 3miq s GLN 184 N 0.13 1.83 -0.07 1.67 -1.52 0.11 -0.27 119.66 121.54 3miq s GLN 184 Ca -0.01 -0.67 0.01 0.00 -1.95 0.00 0.00 55.36 52.74 3miq s GLN 184 Cb -0.03 -1.63 0.02 0.00 -0.22 0.00 0.00 33.01 31.15 3miq s GLN 184 CO -0.00 0.31 -0.10 -0.80 -0.25 0.00 0.00 175.29 174.45 3miq s ASN 185 N -0.11 1.73 0.06 5.90 -0.87 -0.65 -0.31 114.94 120.68 3miq s ASN 185 Ca -0.01 -0.27 0.05 0.00 -1.57 0.00 0.00 52.86 51.07 3miq s ASN 185 Cb -0.11 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.25 40.34 3miq s ASN 185 CO 0.02 -0.02 -0.15 0.42 -2.57 0.00 0.00 177.10 174.79 3miq s THR 186 N 0.97 1.21 0.36 1.60 -4.23 -0.56 -1.36 115.64 113.63 3miq s THR 186 Ca -0.09 -1.18 -0.27 0.00 -1.18 0.00 0.00 61.69 58.97 3miq s THR 186 Cb -0.15 -1.12 -0.09 0.00 1.34 0.00 0.00 72.50 72.48 3miq s THR 186 CO 0.00 -0.07 1.20 -2.16 -0.54 0.00 0.00 174.62 173.05 3miq s PRO 187 N -1.44 4.24 0.01 3.99 0.04 -1.26 0.21 135.00 140.80 3miq s PRO 187 Ca 0.01 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 3miq s PRO 187 Cb -0.09 -2.89 -0.24 0.00 0.04 0.00 0.00 34.50 31.33 3miq s PRO 187 CO 0.02 -0.19 1.11 0.82 0.04 0.00 0.00 177.00 178.80 3miq h ILE 188 N 2.67 1.41 -4.61 0.56 2.04 -1.15 -3.45 117.51 114.99 3miq h ILE 188 Ca -0.48 -2.11 -0.12 0.00 1.00 0.00 0.00 64.86 63.15 3miq h ILE 188 Cb 1.23 2.58 0.01 0.00 -0.74 0.00 0.00 36.82 39.89 3miq h ILE 188 CO 0.64 0.62 -0.01 0.61 0.00 0.00 0.00 178.15 180.00 3miq n GLY 189 N 1.08 1.88 0.08 5.37 0.00 -1.26 -5.03 105.19 107.31 3miq n GLY 189 Ca -0.10 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.84 0.98 -4.55 1.61 9.92 -1.26 -4.98 116.55 115.44 3miq n ASP 190 Ca 0.04 -0.99 -0.57 0.00 -0.53 0.00 0.00 54.79 52.74 3miq n ASP 190 Cb 0.15 0.90 -0.07 0.00 -0.64 0.00 0.00 41.12 41.45 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 1.36 0.01 3.73 0.44 0.00 -1.26 -4.75 105.19 104.73 3miq n GLY 191 Ca 0.04 0.76 -0.40 0.00 0.00 0.00 0.00 46.02 46.42 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 2.04 2.02 -4.64 1.61 -0.02 -1.26 -4.96 135.00 129.79 3miq n PRO 192 Ca 0.20 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 62.12 3miq n PRO 192 Cb 0.11 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 30.97 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 -1.22 1.52 -0.13 -1.45 -7.23 -1.26 -4.96 120.40 105.68 3miq s VAL 193 Ca 0.63 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 3miq s VAL 193 Cb -0.46 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 3miq s VAL 193 CO 0.56 0.00 0.92 -0.76 -0.31 0.00 0.00 175.10 175.51 3miq s LEU 194 N -3.74 4.22 -0.38 1.32 1.43 -1.26 -5.04 118.68 115.24 3miq s LEU 194 Ca 0.24 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 3miq s LEU 194 Cb 0.06 -3.40 0.07 0.00 0.03 0.00 0.00 46.19 42.96 3miq s LEU 194 CO 0.12 -0.41 0.17 -0.76 0.23 0.00 0.00 176.35 175.70 3miq s LEU 195 N 2.01 4.77 0.59 1.79 1.43 -1.26 -4.24 118.68 123.76 3miq s LEU 195 Ca 0.44 -1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 51.85 3miq s LEU 195 Cb -0.17 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3miq s LEU 195 CO 0.16 -0.44 1.09 -2.84 0.23 0.00 0.00 176.35 174.55 3miq s PRO 196 N 1.32 3.22 0.67 1.29 0.02 -1.26 -4.98 135.00 135.27 3miq s PRO 196 Ca 0.02 1.41 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 3miq s PRO 196 Cb -0.22 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.29 3miq s PRO 196 CO 0.00 -0.92 1.06 -0.51 -0.33 0.00 0.00 177.00 176.30 3miq s ASP 197 N -2.32 5.53 0.06 2.53 -0.00 -1.26 -3.92 116.67 117.28 3miq s ASP 197 Ca 0.68 1.65 -0.36 0.00 -0.00 0.00 0.00 52.55 54.52 3miq s ASP 197 Cb -0.20 -2.50 -0.15 0.00 -0.00 0.00 0.00 42.92 40.07 3miq s ASP 197 CO 0.33 -1.34 1.51 0.59 -0.00 0.00 0.00 175.17 176.26 3miq n ASN 198 N -2.84 2.38 -0.79 0.27 3.02 -1.26 -4.79 115.26 111.24 3miq n ASN 198 Ca 0.08 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 3miq n ASN 198 Cb 0.53 -1.28 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 3.49 -0.71 -3.69 3.10 1.44 -0.99 -4.76 115.22 113.09 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 -7.12 -0.17 -0.14 -1.40 -0.85 -0.20 -1.11 117.35 106.36 3miq s TYR 200 Ca 0.00 -0.15 -0.01 0.00 -0.52 0.00 0.00 57.07 56.39 3miq s TYR 200 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 3miq s TYR 200 CO 0.00 -0.87 -0.11 -0.51 -1.52 0.00 0.00 175.55 172.54 3miq s LEU 201 N -2.85 2.81 -0.22 -3.49 1.43 0.12 -0.71 118.68 115.77 3miq s LEU 201 Ca 0.07 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 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 0.15 0.21 -0.55 0.23 0.00 0.00 176.35 176.34 3miq s SER 202 N 0.44 6.21 0.38 2.29 0.15 0.36 0.23 113.70 123.76 3miq s SER 202 Ca -0.08 0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.88 3miq s SER 202 Cb -0.15 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 61.95 3miq s SER 202 CO 0.04 0.05 -0.02 0.42 1.20 0.00 0.00 173.24 174.93 3miq s THR 203 N 1.01 2.19 -0.29 6.45 -4.23 0.51 -1.60 115.64 119.69 3miq s THR 203 Ca 0.10 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.34 3miq s THR 203 Cb -0.13 -2.84 0.14 0.00 1.34 0.00 0.00 72.50 71.01 3miq s THR 203 CO 0.04 -0.10 1.08 0.00 -0.54 0.00 0.00 174.62 175.10 3miq s GLN 204 N -3.69 0.39 0.02 3.99 -2.07 -0.84 -2.87 119.66 114.59 3miq s GLN 204 Ca 0.34 0.53 -0.02 0.00 -1.82 0.00 0.00 55.36 54.40 3miq s GLN 204 Cb 0.05 0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 32.11 3miq s GLN 204 CO 0.18 -0.06 0.01 -1.12 -1.32 0.00 0.00 175.29 172.98 3miq s SER 205 N 0.58 0.20 -0.08 12.60 0.01 -1.26 -1.21 113.70 124.54 3miq s SER 205 Ca -0.00 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.83 3miq s SER 205 Cb -0.04 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.32 3miq s SER 205 CO -0.10 -0.33 -0.15 0.00 0.41 0.00 0.00 173.24 173.07 3miq s ALA 206 N -1.54 1.50 -0.08 1.44 0.00 0.53 -4.32 121.76 119.29 3miq s ALA 206 Ca -0.15 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 3miq s ALA 206 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3miq s ALA 206 CO -0.01 0.13 0.14 -0.51 0.00 0.00 0.00 175.76 175.51 3miq s LEU 207 N 0.64 4.28 0.24 0.00 1.43 -1.26 -1.54 118.68 122.46 3miq s LEU 207 Ca -0.15 0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 3miq s LEU 207 Cb -0.16 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3miq s LEU 207 CO 0.04 0.36 0.39 -0.94 0.23 0.00 0.00 176.35 176.43 3miq s SER 208 N -1.32 -0.01 0.07 2.29 1.04 -0.20 -4.91 113.70 110.67 3miq s SER 208 Ca 0.19 -1.06 0.08 0.00 0.48 0.00 0.00 55.95 55.64 3miq s SER 208 Cb -0.12 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3miq s SER 208 CO 0.09 -1.06 -0.20 -0.54 0.98 0.00 0.00 173.24 172.50 3miq s LYS 209 N -4.04 1.91 -0.26 4.02 -0.14 -1.26 -1.56 119.74 118.41 3miq s LYS 209 Ca 0.27 -1.08 -0.19 0.00 -1.36 0.00 0.00 55.97 53.61 3miq s LYS 209 Cb 0.01 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.02 3miq s LYS 209 CO 0.10 0.51 0.59 0.34 -0.76 0.00 0.00 175.35 176.13 3miq s ASP 210 N -1.65 6.52 0.00 2.83 2.15 -1.26 -4.96 116.67 120.30 3miq s ASP 210 Ca 0.15 0.64 0.18 0.00 0.43 0.00 0.00 52.55 53.95 3miq s ASP 210 Cb -0.10 -2.32 0.85 0.00 -0.30 0.00 0.00 42.92 41.05 3miq s ASP 210 CO 0.06 -0.34 1.55 -2.65 -0.17 0.00 0.00 175.17 173.62 3miq n PRO 211 N 5.65 0.15 0.00 4.34 -0.02 -1.26 -2.14 135.00 141.73 3miq n PRO 211 Ca -0.02 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.72 3miq n PRO 211 Cb 0.49 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.37 0.62 -4.68 2.55 3.02 -1.26 -4.91 115.26 109.23 3miq n ASN 212 Ca 0.07 -0.53 -0.39 0.00 -0.03 0.00 0.00 54.58 53.70 3miq n ASN 212 Cb 0.17 1.21 -0.06 0.00 -0.61 0.00 0.00 39.78 40.49 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 -3.19 4.23 0.00 3.52 2.56 -0.91 -4.95 118.70 119.97 3miq s GLU 213 Ca 0.03 0.45 0.17 0.00 0.00 0.00 0.00 54.97 55.62 3miq s GLU 213 Cb 0.15 -3.53 -0.11 0.00 2.00 0.00 0.00 34.13 32.64 3miq s GLU 213 CO 0.86 -0.09 0.80 1.63 -0.56 0.00 0.00 175.26 177.90 3miq n LYS 214 N 4.55 1.48 -2.40 4.30 5.02 -1.26 -4.89 118.16 124.95 3miq n LYS 214 Ca -0.05 -0.35 -0.28 0.00 -2.02 0.00 0.00 58.31 55.62 3miq n LYS 214 Cb 0.51 -1.31 0.02 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.38 3.27 -0.11 1.97 0.52 -1.26 -5.00 118.95 115.97 3miq s ARG 215 Ca 0.10 0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 55.22 3miq s ARG 215 Cb 0.13 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 3miq s ARG 215 CO 0.60 -0.49 1.56 0.34 0.02 0.00 0.00 175.30 177.33 3miq s ASP 216 N -4.21 6.68 0.14 0.23 -1.08 -1.26 -4.93 116.67 112.24 3miq s ASP 216 Ca 0.51 2.01 -0.07 0.00 -0.52 0.00 0.00 52.55 54.49 3miq s ASP 216 Cb -0.11 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 38.81 3miq s ASP 216 CO 0.47 -0.94 0.22 -1.38 0.52 0.00 0.00 175.17 174.05 3miq s HIS 217 N 4.11 0.44 -0.05 -5.34 -3.43 -1.26 -0.82 115.29 108.95 3miq s HIS 217 Ca 0.69 -0.82 -0.01 0.00 -0.80 0.00 0.00 55.06 54.12 3miq s HIS 217 Cb -0.29 -0.14 0.03 0.00 -1.43 0.00 0.00 32.58 30.74 3miq s HIS 217 CO 0.26 -0.64 0.01 1.41 -2.00 0.00 0.00 174.74 173.78 3miq s MET 218 N -3.96 0.33 -0.19 -0.38 1.75 0.45 -4.96 119.30 112.33 3miq s MET 218 Ca 0.16 0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.61 3miq s MET 218 Cb 0.04 -0.65 -0.04 0.00 2.84 0.00 0.00 34.83 37.02 3miq s MET 218 CO -0.02 -0.23 0.30 0.08 -0.65 0.00 0.00 175.02 174.50 3miq s VAL 219 N 1.57 5.28 -0.09 10.11 1.01 -0.60 0.36 120.40 138.03 3miq s VAL 219 Ca -0.02 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3miq s VAL 219 Cb -0.13 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3miq s VAL 219 CO -0.03 0.34 -0.14 -0.22 0.00 0.00 0.00 175.10 175.04 3miq s LEU 220 N 0.85 1.69 -0.13 3.92 2.96 0.96 -1.03 118.68 127.90 3miq s LEU 220 Ca 0.16 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3miq s LEU 220 Cb -0.14 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 3miq s LEU 220 CO 0.05 0.02 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.73 3miq s LEU 221 N 0.86 2.56 -0.02 -0.68 2.96 -0.59 -1.80 118.68 121.97 3miq s LEU 221 Ca -0.10 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3miq s LEU 221 Cb -0.15 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3miq s LEU 221 CO 0.01 0.14 0.06 -0.70 -1.32 0.00 0.00 176.35 174.54 3miq s GLU 222 N 0.47 0.06 -0.09 1.98 2.12 -0.87 -0.34 118.70 122.02 3miq s GLU 222 Ca -0.11 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.34 3miq s GLU 222 Cb -0.16 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.25 3miq s GLU 222 CO 0.05 -0.02 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.52 3miq s PHE 223 N 0.12 1.95 -0.04 5.30 0.40 -0.35 -0.96 117.98 124.40 3miq s PHE 223 Ca -0.01 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 3miq s PHE 223 Cb -0.01 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.17 3miq s PHE 223 CO -0.00 -0.38 -0.03 0.08 0.70 0.00 0.00 175.22 175.58 3miq s VAL 224 N 0.67 0.44 0.05 -0.44 1.01 -0.75 -1.99 120.40 119.39 3miq s VAL 224 Ca -0.13 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3miq s VAL 224 Cb -0.16 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3miq s VAL 224 CO 0.04 0.20 -0.18 -0.89 0.00 0.00 0.00 175.10 174.27 3miq s THR 225 N 0.96 1.47 0.55 3.92 2.01 -0.63 -1.25 115.64 122.67 3miq s THR 225 Ca -0.10 -1.20 -0.14 0.00 0.31 0.00 0.00 61.69 60.56 3miq s THR 225 Cb -0.14 -1.31 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 3miq s THR 225 CO -0.00 0.07 0.99 0.00 -0.69 0.00 0.00 174.62 174.98 3miq s ALA 226 N -0.91 3.11 0.18 7.40 0.00 -0.27 -0.49 121.76 130.79 3miq s ALA 226 Ca 0.05 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.81 3miq s ALA 226 Cb -0.09 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 20.04 3miq s ALA 226 CO 0.02 -0.42 1.04 0.00 0.00 0.00 0.00 175.76 176.41 3miq s ALA 227 N -2.85 -1.62 0.00 0.00 0.00 0.11 -4.69 121.76 112.72 3miq s ALA 227 Ca 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3miq s ALA 227 Cb -0.10 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3miq s ALA 227 CO 0.41 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.52 3miq n GLY 228 N -0.70 0.54 3.31 0.00 0.00 -1.26 -1.03 105.19 106.05 3miq n GLY 228 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 1.91 0.44 -0.61 1.01 -1.26 -4.84 121.20 115.85 3miq s ILE 229 Ca 0.00 -1.44 0.05 0.00 0.00 0.00 0.00 60.65 59.26 3miq s ILE 229 Cb 0.00 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 3miq s ILE 229 CO 0.00 0.15 0.01 0.42 0.00 0.00 0.00 174.94 175.52 3miq s THR 230 N -0.94 1.74 -2.39 2.92 -4.23 -1.26 -5.04 115.64 106.45 3miq s THR 230 Ca 0.10 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.89 3miq s THR 230 Cb -0.10 -2.76 0.63 0.00 1.34 0.00 0.00 72.50 71.61 3miq s THR 230 CO 0.03 0.00 1.85 0.18 -0.54 0.00 0.00 174.62 176.14