#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiq s ILE 17 N 0.00 5.40 -0.06 2.52 -1.09 0.12 -4.05 121.20 124.04 2aiq s ILE 17 Ca 0.00 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 2aiq s ILE 17 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2aiq s ILE 17 CO 0.00 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 2aiq n GLY 18 N 1.92 0.48 0.00 6.18 0.00 -1.25 -1.91 105.19 110.61 2aiq n GLY 18 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2aiq n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiq n GLY 19 N -2.77 5.08 3.27 -0.02 0.00 -1.26 -4.82 105.19 104.66 2aiq n GLY 19 Ca -0.01 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 2aiq n GLY 19 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aiq s ASP 20 N -0.03 0.82 0.13 1.61 3.84 -0.51 -4.89 116.67 117.63 2aiq s ASP 20 Ca 0.00 -1.43 -0.35 0.00 -0.00 0.00 0.00 52.55 50.77 2aiq s ASP 20 Cb 0.00 0.31 -0.14 0.00 -1.38 0.00 0.00 42.92 41.71 2aiq s ASP 20 CO 0.00 -0.82 1.54 1.21 -0.00 0.00 0.00 175.17 177.10 2aiq n GLU 21 N -0.41 1.93 -1.75 2.11 2.13 -1.26 -0.07 120.64 123.32 2aiq n GLU 21 Ca 0.01 0.70 -0.37 0.00 0.66 0.00 0.00 57.16 58.16 2aiq n GLU 21 Cb 0.66 -2.44 0.06 0.00 0.27 0.00 0.00 31.44 29.99 2aiq n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aiq s ASN 23 N -1.28 6.43 0.65 0.00 3.84 -1.26 -4.86 114.94 118.46 2aiq s ASN 23 Ca 0.80 2.94 0.36 0.00 0.21 0.00 0.00 52.86 57.16 2aiq s ASN 23 Cb -0.38 -2.65 1.96 0.00 -0.55 0.00 0.00 41.25 39.63 2aiq s ASN 23 CO 0.42 -0.84 2.15 -0.29 -2.79 0.00 0.00 177.10 175.75 2aiq h ILE 24 N 3.20 0.12 -0.03 -5.21 2.10 -1.99 -2.05 117.51 113.65 2aiq h ILE 24 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.45 2aiq h ILE 24 Cb 1.23 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 2aiq h ILE 24 CO 0.71 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.37 2aiq n ASN 25 N -3.20 2.37 -0.98 2.19 3.02 -1.26 -4.55 115.26 112.86 2aiq n ASN 25 Ca -0.02 -1.68 0.11 0.00 -0.03 0.00 0.00 54.58 52.96 2aiq n ASN 25 Cb 0.24 -0.01 0.27 0.00 -0.61 0.00 0.00 39.78 39.67 2aiq n ASN 25 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2aiq n GLU 26 N 0.91 2.27 -2.75 3.52 0.28 -0.77 -4.34 120.64 119.76 2aiq n GLU 26 Ca 0.10 -1.92 -0.04 0.00 -0.16 0.00 0.00 57.16 55.13 2aiq n GLU 26 Cb 0.41 -1.47 0.04 0.00 1.43 0.00 0.00 31.44 31.85 2aiq n GLU 26 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2aiq n HIS 27 N 1.12 1.10 0.31 -1.84 1.44 -1.26 -4.90 115.22 111.19 2aiq n HIS 27 Ca 0.18 -2.44 0.16 0.00 -2.01 0.00 0.00 57.72 53.62 2aiq n HIS 27 Cb 0.51 -0.25 0.72 0.00 0.12 0.00 0.00 29.99 31.09 2aiq n HIS 27 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2aiq h ARG 28 N 2.76 0.00 -0.01 -1.40 3.08 -1.78 -0.77 114.38 116.26 2aiq h ARG 28 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2aiq h ARG 28 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aiq h ARG 28 CO 0.32 0.00 -0.29 1.97 -1.07 0.00 0.00 179.97 180.90 2aiq n PHE 29 N -2.78 0.00 -2.79 3.04 1.16 -1.00 -1.53 117.46 113.56 2aiq n PHE 29 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 2aiq n PHE 29 Cb 0.22 -0.04 -0.03 0.00 -1.61 0.00 0.00 39.48 38.01 2aiq n PHE 29 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2aiq s LEU 30 N -2.38 4.21 0.03 5.98 2.96 -0.30 -0.12 118.68 129.06 2aiq s LEU 30 Ca 0.24 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.49 2aiq s LEU 30 Cb 0.19 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 2aiq s LEU 30 CO 0.50 -0.43 0.16 0.00 -1.32 0.00 0.00 176.35 175.26 2aiq s ALA 31 N 2.10 3.86 -0.23 5.97 0.00 0.58 -4.37 121.76 129.67 2aiq s ALA 31 Ca 0.43 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 2aiq s ALA 31 Cb -0.17 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2aiq s ALA 31 CO 0.15 0.77 0.06 -1.17 0.00 0.00 0.00 175.76 175.56 2aiq s LEU 32 N -2.15 3.47 -0.19 0.00 2.96 -0.07 -1.21 118.68 121.49 2aiq s LEU 32 Ca 0.29 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2aiq s LEU 32 Cb -0.13 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2aiq s LEU 32 CO 0.21 0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.44 2aiq s VAL 33 N 1.32 2.75 -0.09 1.68 1.01 0.84 -0.05 120.40 127.86 2aiq s VAL 33 Ca 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2aiq s VAL 33 Cb -0.15 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2aiq s VAL 33 CO 0.03 0.49 -0.15 -0.31 0.00 0.00 0.00 175.10 175.16 2aiq s TYR 34 N 1.21 2.73 0.14 5.22 2.02 -0.16 -0.34 117.35 128.17 2aiq s TYR 34 Ca 0.02 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2aiq s TYR 34 Cb -0.14 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 2aiq s TYR 34 CO -0.05 -0.04 0.13 0.00 -1.57 0.00 0.00 175.55 174.02 2aiq s ALA 36 N -0.17 0.54 -0.55 3.71 0.00 -0.43 -0.59 121.76 124.27 2aiq s ALA 36 Ca -0.01 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 2aiq s ALA 36 Cb -0.13 0.83 -0.15 0.00 0.00 0.00 0.00 23.12 23.66 2aiq s ALA 36 CO 0.03 -0.54 1.81 -1.71 0.00 0.00 0.00 175.76 175.36 2aiq n ASN 38 N -0.12 0.40 -1.94 0.00 2.85 0.35 0.44 115.26 117.23 2aiq n ASN 38 Ca -0.07 0.33 -0.15 0.00 -0.11 0.00 0.00 54.58 54.59 2aiq n ASN 38 Cb 0.63 -0.68 0.01 0.00 1.24 0.00 0.00 39.78 40.98 2aiq n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2aiq n GLY 39 N 5.28 -0.15 3.54 8.20 0.00 -1.26 -4.77 105.19 116.03 2aiq n GLY 39 Ca 0.45 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2aiq n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aiq s SER 40 N -2.66 -0.66 -0.07 1.61 1.04 0.17 -5.14 113.70 107.99 2aiq s SER 40 Ca 0.14 1.16 0.04 0.00 0.48 0.00 0.00 55.95 57.77 2aiq s SER 40 Cb -0.06 1.15 -0.02 0.00 0.10 0.00 0.00 66.02 67.19 2aiq s SER 40 CO 0.17 -0.30 -0.18 -0.22 0.98 0.00 0.00 173.24 173.69 2aiq s LEU 41 N 0.01 2.50 0.20 2.42 2.96 -1.26 -1.31 118.68 124.19 2aiq s LEU 41 Ca -0.02 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 2aiq s LEU 41 Cb -0.04 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2aiq s LEU 41 CO 0.03 0.27 0.31 0.00 -1.32 0.00 0.00 176.35 175.64 2aiq s GLY 43 N -3.03 1.83 0.26 0.00 0.00 0.10 -0.11 107.32 106.37 2aiq s GLY 43 Ca 0.24 -2.01 -0.20 0.00 0.00 0.00 0.00 44.72 42.74 2aiq s GLY 43 CO 0.05 -1.74 0.92 -0.32 0.00 0.00 0.00 173.10 172.02 2aiq s GLY 44 N -4.61 0.18 -0.06 0.20 0.00 -0.35 -3.39 107.32 99.27 2aiq s GLY 44 Ca 0.57 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2aiq s GLY 44 CO 0.36 1.07 -0.04 -1.59 0.00 0.00 0.00 173.10 172.91 2aiq s THR 45 N -2.38 0.56 -0.32 0.90 2.01 0.37 -0.31 115.64 116.46 2aiq s THR 45 Ca 0.18 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2aiq s THR 45 Cb -0.04 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.85 2aiq s THR 45 CO 0.07 0.26 1.31 -0.22 -0.69 0.00 0.00 174.62 175.35 2aiq s LEU 46 N 1.37 3.83 -0.00 4.42 2.96 0.83 -0.59 118.68 131.50 2aiq s LEU 46 Ca -0.04 1.12 0.22 0.00 -0.22 0.00 0.00 54.13 55.21 2aiq s LEU 46 Cb -0.13 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 2aiq s LEU 46 CO -0.03 -1.13 0.77 2.30 -1.32 0.00 0.00 176.35 176.94 2aiq n ILE 47 N 6.35 0.02 -2.86 6.68 -5.35 -0.20 -0.47 119.36 123.53 2aiq n ILE 47 Ca 0.15 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2aiq n ILE 47 Cb 0.47 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 2aiq n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2aiq n ASN 48 N -1.84 0.00 0.00 7.28 0.23 -1.22 -4.30 115.26 115.41 2aiq n ASN 48 Ca 0.01 -0.80 0.14 0.00 -0.53 0.00 0.00 54.58 53.40 2aiq n ASN 48 Cb 0.43 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 38.95 2aiq n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aiq n GLN 49 N 0.00 0.82 0.00 -3.83 6.02 -1.26 -3.55 117.38 115.58 2aiq n GLN 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2aiq n GLN 49 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 2aiq n GLN 49 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2aiq n GLU 50 N -1.04 -0.13 -4.14 -1.09 1.02 -1.26 -0.08 120.64 113.93 2aiq n GLU 50 Ca 0.20 -0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 2aiq n GLU 50 Cb 0.11 -0.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.80 2aiq n GLU 50 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2aiq s TRP 51 N -0.01 0.46 -0.02 -0.32 0.52 -1.23 0.50 118.94 118.83 2aiq s TRP 51 Ca 0.00 -0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.05 2aiq s TRP 51 Cb 0.00 -0.29 -0.01 0.00 -1.15 0.00 0.00 33.47 32.02 2aiq s TRP 51 CO 0.00 -0.01 -0.17 0.08 0.02 0.00 0.00 176.95 176.86 2aiq s VAL 52 N -0.22 1.39 -0.14 4.03 1.01 0.39 -1.04 120.40 125.83 2aiq s VAL 52 Ca 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2aiq s VAL 52 Cb -0.03 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2aiq s VAL 52 CO -0.00 0.40 0.04 -0.76 0.00 0.00 0.00 175.10 174.77 2aiq s LEU 53 N -0.29 3.73 0.00 3.92 1.43 0.24 -0.72 118.68 127.00 2aiq s LEU 53 Ca 0.04 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2aiq s LEU 53 Cb -0.08 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2aiq s LEU 53 CO 0.00 0.26 0.00 1.07 0.23 0.00 0.00 176.35 177.91 2aiq n THR 54 N 2.95 0.00 -3.46 5.49 5.66 -0.28 -0.48 114.28 124.16 2aiq n THR 54 Ca -0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.45 2aiq n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 2aiq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2aiq s ALA 55 N -1.80 3.68 0.40 1.79 0.00 -1.26 -0.60 121.76 123.97 2aiq s ALA 55 Ca 0.00 -0.19 0.22 0.00 0.00 0.00 0.00 51.96 51.99 2aiq s ALA 55 Cb 0.00 -2.42 1.21 0.00 0.00 0.00 0.00 23.12 21.90 2aiq s ALA 55 CO 0.00 0.48 2.00 0.07 0.00 0.00 0.00 175.76 178.31 2aiq h ARG 56 N 4.50 0.00 0.00 0.00 0.11 -1.72 -1.47 114.38 115.79 2aiq h ARG 56 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2aiq h ARG 56 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2aiq h ARG 56 CO 0.62 0.18 0.00 -2.39 0.10 0.00 0.00 179.97 178.48 2aiq n HIS 57 N -3.85 0.11 0.92 4.08 1.44 -1.26 -1.51 115.22 115.16 2aiq n HIS 57 Ca -0.02 0.05 0.14 0.00 -2.01 0.00 0.00 57.72 55.88 2aiq n HIS 57 Cb 0.28 -0.57 0.57 0.00 0.12 0.00 0.00 29.99 30.39 2aiq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2aiq s ASP 59 N -3.32 6.83 0.00 0.00 2.15 -0.57 -4.67 116.67 117.10 2aiq s ASP 59 Ca 0.13 -2.41 0.16 0.00 0.43 0.00 0.00 52.55 50.87 2aiq s ASP 59 Cb 0.18 -2.52 0.43 0.00 -0.30 0.00 0.00 42.92 40.71 2aiq s ASP 59 CO 0.54 -1.11 1.35 0.54 -0.17 0.00 0.00 175.17 176.33 2aiq n ARG 60 N 7.63 2.66 0.00 4.34 1.74 -1.26 -5.05 116.66 126.72 2aiq n ARG 60 Ca 0.42 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.23 2aiq n ARG 60 Cb 0.46 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2aiq n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aiq n GLY 62 N 1.04 2.63 3.72 -0.13 0.00 -1.26 -3.86 105.19 107.34 2aiq n GLY 62 Ca 0.17 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 2aiq n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aiq n ASN 63 N 0.00 -2.96 -4.74 1.61 3.02 -1.26 0.13 115.26 111.06 2aiq n ASN 63 Ca 0.00 -0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 2aiq n ASN 63 Cb 0.00 -3.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.51 2aiq n ASN 63 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2aiq s MET 64 N -6.01 4.53 -0.04 3.52 1.75 -1.26 -4.32 119.30 117.48 2aiq s MET 64 Ca 0.22 1.82 0.04 0.00 -1.25 0.00 0.00 55.69 56.53 2aiq s MET 64 Cb -0.07 -3.25 -0.01 0.00 2.84 0.00 0.00 34.83 34.35 2aiq s MET 64 CO 0.84 -0.02 -0.17 1.03 -0.65 0.00 0.00 175.02 176.05 2aiq s ARG 65 N -0.36 1.66 -0.13 4.11 0.52 0.25 -4.48 118.95 120.53 2aiq s ARG 65 Ca 0.51 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 2aiq s ARG 65 Cb -0.32 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.68 2aiq s ARG 65 CO 0.36 0.27 -0.19 0.42 0.02 0.00 0.00 175.30 176.19 2aiq s ILE 66 N -0.06 1.80 -0.15 1.52 1.01 0.43 -0.98 121.20 124.76 2aiq s ILE 66 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 2aiq s ILE 66 Cb -0.10 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2aiq s ILE 66 CO 0.01 0.50 -0.07 -0.31 0.00 0.00 0.00 174.94 175.08 2aiq s TYR 67 N 0.92 2.96 0.19 3.97 1.51 0.93 0.29 117.35 128.11 2aiq s TYR 67 Ca -0.06 -0.43 0.08 0.00 -1.01 0.00 0.00 57.07 55.65 2aiq s TYR 67 Cb -0.15 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2aiq s TYR 67 CO -0.02 -0.11 0.00 -0.51 -1.11 0.00 0.00 175.55 173.80 2aiq s LEU 68 N 0.39 3.30 -1.24 -1.29 2.01 -0.03 -0.89 118.68 120.92 2aiq s LEU 68 Ca -0.06 -0.44 0.00 0.00 0.01 0.00 0.00 54.13 53.64 2aiq s LEU 68 Cb -0.15 -1.93 0.00 0.00 0.01 0.00 0.00 46.19 44.12 2aiq s LEU 68 CO 0.04 0.07 0.00 0.61 1.01 0.00 0.00 176.35 178.08 2aiq n GLY 69 N -0.28 0.95 3.84 -3.19 0.00 -1.25 -0.95 105.19 104.31 2aiq n GLY 69 Ca -0.09 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2aiq n GLY 69 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aiq s MET 70 N -3.45 3.94 0.00 1.61 -1.94 -1.26 -4.12 119.30 114.07 2aiq s MET 70 Ca 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 2aiq s MET 70 Cb 0.00 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.71 2aiq s MET 70 CO 0.00 0.62 0.00 1.58 -0.01 0.00 0.00 175.02 177.21 2aiq n HIS 71 N 1.44 0.00 -2.58 -0.03 -0.00 -1.26 -4.97 115.22 107.82 2aiq n HIS 71 Ca -0.11 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.65 2aiq n HIS 71 Cb 0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.37 2aiq n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2aiq s ASN 72 N 1.00 7.12 0.54 0.26 3.84 -1.26 -4.00 114.94 122.45 2aiq s ASN 72 Ca 0.00 1.61 0.36 0.00 0.21 0.00 0.00 52.86 55.04 2aiq s ASN 72 Cb 0.00 -2.55 1.82 0.00 -0.55 0.00 0.00 41.25 39.97 2aiq s ASN 72 CO 0.00 -0.57 2.10 -0.07 -2.79 0.00 0.00 177.10 175.77 2aiq h LEU 73 N 8.54 0.00 -1.15 3.21 3.38 -0.63 -2.75 115.31 125.91 2aiq h LEU 73 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2aiq h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2aiq h LEU 73 CO 0.90 0.00 -0.06 0.29 0.09 0.00 0.00 178.44 179.66 2aiq n LYS 74 N -2.87 0.92 -3.54 1.13 5.02 -1.26 -4.73 118.16 112.82 2aiq n LYS 74 Ca -0.01 -0.89 -0.29 0.00 -2.02 0.00 0.00 58.31 55.09 2aiq n LYS 74 Cb 0.14 -1.13 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 2aiq n LYS 74 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2aiq s VAL 75 N -0.94 0.56 0.02 -0.18 1.01 -1.04 -5.10 120.40 114.74 2aiq s VAL 75 Ca 0.10 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 2aiq s VAL 75 Cb 0.08 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 2aiq s VAL 75 CO 0.15 -0.96 1.45 -0.76 0.00 0.00 0.00 175.10 174.98 2aiq s LEU 76 N 0.82 4.33 0.41 3.92 1.43 -1.25 -4.18 118.68 124.16 2aiq s LEU 76 Ca 0.18 2.20 -0.27 0.00 -1.03 0.00 0.00 54.13 55.22 2aiq s LEU 76 Cb -0.23 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 2aiq s LEU 76 CO 0.00 -0.75 1.41 0.59 0.23 0.00 0.00 176.35 177.84 2aiq n ASN 77 N 5.31 3.32 0.21 2.29 3.02 -1.26 -4.85 115.26 123.29 2aiq n ASN 77 Ca 0.14 1.17 0.12 0.00 -0.03 0.00 0.00 54.58 55.97 2aiq n ASN 77 Cb 0.43 -1.58 0.69 0.00 -0.61 0.00 0.00 39.78 38.70 2aiq n ASN 77 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2aiq h LYS 78 N 2.53 0.00 -0.69 3.52 1.57 -1.92 -0.86 116.57 120.71 2aiq h LYS 78 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2aiq h LYS 78 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2aiq h LYS 78 CO 0.62 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 2aiq n ASP 79 N -4.41 4.01 -4.76 0.86 5.75 -1.26 -4.97 116.55 111.77 2aiq n ASP 79 Ca -0.00 -2.12 -0.39 0.00 -0.01 0.00 0.00 54.79 52.27 2aiq n ASP 79 Cb 0.20 -0.50 0.02 0.00 -1.03 0.00 0.00 41.12 39.81 2aiq n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2aiq s ALA 80 N -1.27 3.02 0.02 2.12 0.00 -0.33 -4.72 121.76 120.60 2aiq s ALA 80 Ca 0.48 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.72 2aiq s ALA 80 Cb 0.27 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2aiq s ALA 80 CO 0.30 -1.07 -0.08 -0.51 0.00 0.00 0.00 175.76 174.40 2aiq s LEU 81 N -3.04 2.15 -0.12 0.00 1.43 -0.13 -4.99 118.68 113.99 2aiq s LEU 81 Ca 0.65 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 2aiq s LEU 81 Cb -0.38 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 2aiq s LEU 81 CO 0.47 -0.07 0.04 -0.60 0.23 0.00 0.00 176.35 176.42 2aiq s ARG 82 N -0.96 3.37 0.19 1.70 3.52 -1.26 -0.85 118.95 124.67 2aiq s ARG 82 Ca -0.04 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 2aiq s ARG 82 Cb -0.07 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 2aiq s ARG 82 CO 0.00 0.57 0.07 1.03 -0.81 0.00 0.00 175.30 176.16 2aiq s ARG 83 N -0.49 1.17 0.09 5.12 1.81 0.14 -4.98 118.95 121.82 2aiq s ARG 83 Ca 0.09 -1.60 0.04 0.00 -1.72 0.00 0.00 55.73 52.54 2aiq s ARG 83 Cb -0.12 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2aiq s ARG 83 CO 0.02 -0.27 -0.10 -0.06 -0.68 0.00 0.00 175.30 174.21 2aiq s PHE 84 N -3.89 1.05 0.11 -0.53 0.40 -1.26 -0.43 117.98 113.43 2aiq s PHE 84 Ca 0.31 -0.65 -0.31 0.00 -0.60 0.00 0.00 56.93 55.69 2aiq s PHE 84 Cb 0.07 -0.58 -0.08 0.00 0.51 0.00 0.00 43.02 42.94 2aiq s PHE 84 CO 0.08 -0.00 1.43 -2.14 0.70 0.00 0.00 175.22 175.29 2aiq s PRO 85 N -2.72 4.29 -0.18 0.24 0.02 -1.26 -0.80 135.00 134.59 2aiq s PRO 85 Ca 0.05 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.28 2aiq s PRO 85 Cb -0.03 -3.28 -0.17 0.00 0.02 0.00 0.00 34.50 31.04 2aiq s PRO 85 CO 0.00 -0.49 -0.05 1.17 -0.33 0.00 0.00 177.00 177.30 2aiq n LYS 86 N 4.15 1.00 -4.19 5.54 4.81 0.20 -4.77 118.16 124.90 2aiq n LYS 86 Ca 0.12 0.05 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 2aiq n LYS 86 Cb 0.42 -1.42 -0.12 0.00 0.02 0.00 0.00 35.03 33.93 2aiq n LYS 86 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2aiq s GLU 87 N -2.40 0.87 -0.13 1.64 2.02 -0.97 -4.95 118.70 114.77 2aiq s GLU 87 Ca -0.17 -1.00 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 2aiq s GLU 87 Cb 0.06 -0.90 0.06 0.00 0.10 0.00 0.00 34.13 33.45 2aiq s GLU 87 CO 0.59 0.20 0.31 0.21 0.02 0.00 0.00 175.26 176.58 2aiq s LYS 88 N -1.83 0.25 0.03 1.61 2.20 -1.26 -1.01 119.74 119.74 2aiq s LYS 88 Ca -0.00 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2aiq s LYS 88 Cb -0.10 -0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 2aiq s LYS 88 CO 0.03 -0.19 -0.08 0.71 -0.36 0.00 0.00 175.35 175.45 2aiq s TYR 89 N 1.61 0.69 0.31 4.03 1.51 0.54 -4.99 117.35 121.06 2aiq s TYR 89 Ca -0.07 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.51 2aiq s TYR 89 Cb -0.10 -0.42 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 2aiq s TYR 89 CO -0.10 -0.05 0.55 -0.59 -1.11 0.00 0.00 175.55 174.25 2aiq s PHE 90 N -1.03 0.56 0.16 2.71 -0.12 -1.26 -0.53 117.98 118.47 2aiq s PHE 90 Ca -0.06 -0.94 -0.27 0.00 -0.05 0.00 0.00 56.93 55.61 2aiq s PHE 90 Cb -0.08 0.24 -0.08 0.00 -0.63 0.00 0.00 43.02 42.47 2aiq s PHE 90 CO 0.00 -1.18 0.83 0.00 -0.05 0.00 0.00 175.22 174.83 2aiq n LEU 92 N 1.88 3.37 -1.46 0.00 4.77 -1.26 -4.42 117.00 119.87 2aiq n LEU 92 Ca -0.04 -1.88 -0.12 0.00 -0.03 0.00 0.00 56.01 53.94 2aiq n LEU 92 Cb 0.49 -0.33 0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2aiq n LEU 92 CO 0.48 0.82 0.48 -0.46 -1.33 0.00 0.00 177.39 177.38 2aiq n ASN 93 N 1.11 3.69 -4.84 -1.43 6.94 -1.26 -5.05 115.26 114.43 2aiq n ASN 93 Ca 0.18 -3.81 -0.32 0.00 -0.02 0.00 0.00 54.58 50.61 2aiq n ASN 93 Cb 0.52 -0.53 -0.02 0.00 -2.36 0.00 0.00 39.78 37.39 2aiq n ASN 93 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2aiq s THR 94 N -3.91 4.42 0.38 5.53 -4.23 -1.26 -5.03 115.64 111.53 2aiq s THR 94 Ca 0.47 1.14 0.02 0.00 -1.18 0.00 0.00 61.69 62.14 2aiq s THR 94 Cb 0.41 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 2aiq s THR 94 CO -0.00 -0.68 0.58 -0.13 -0.54 0.00 0.00 174.62 173.84 2aiq s ARG 95 N -4.13 3.24 -0.01 3.99 0.52 -1.26 -5.03 118.95 116.26 2aiq s ARG 95 Ca 0.59 -0.54 0.15 0.00 -0.52 0.00 0.00 55.73 55.41 2aiq s ARG 95 Cb -0.11 -2.66 -0.20 0.00 0.52 0.00 0.00 34.95 32.50 2aiq s ARG 95 CO 0.33 -0.03 0.42 -1.71 0.02 0.00 0.00 175.30 174.34 2aiq n ASN 96 N -1.86 1.29 -0.01 0.23 5.15 -1.26 -4.51 115.26 114.29 2aiq n ASN 96 Ca -0.02 -0.29 0.13 0.00 -0.60 0.00 0.00 54.58 53.79 2aiq n ASN 96 Cb 0.57 1.44 0.35 0.00 -0.53 0.00 0.00 39.78 41.61 2aiq n ASN 96 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2aiq n ASP 96 N -1.78 0.39 -4.86 1.20 5.75 -1.26 -4.82 116.55 111.17 2aiq n ASP 96 Ca -0.01 -0.08 -0.21 0.00 -0.01 0.00 0.00 54.79 54.48 2aiq n ASP 96 Cb 0.33 0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.43 2aiq n ASP 96 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2aiq s THR 97 N -2.98 3.93 -0.21 2.12 -4.23 -1.26 -4.83 115.64 108.18 2aiq s THR 97 Ca 0.12 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.06 2aiq s THR 97 Cb 0.18 -3.29 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 2aiq s THR 97 CO 0.65 -0.24 0.76 -0.63 -0.54 0.00 0.00 174.62 174.62 2aiq s ILE 98 N -2.23 4.91 -1.29 2.99 1.09 0.89 -4.14 121.20 123.43 2aiq s ILE 98 Ca 0.38 1.46 -0.16 0.00 -1.10 0.00 0.00 60.65 61.23 2aiq s ILE 98 Cb -0.07 -4.06 0.01 0.00 -1.06 0.00 0.00 42.46 37.28 2aiq s ILE 98 CO 0.26 0.01 0.56 0.79 -0.10 0.00 0.00 174.94 176.46 2aiq n TRP 99 N 5.52 -1.62 -1.72 3.97 7.02 -1.26 -4.17 117.44 125.17 2aiq n TRP 99 Ca 0.03 0.46 -0.42 0.00 -1.02 0.00 0.00 57.50 56.55 2aiq n TRP 99 Cb 0.49 -3.29 -0.01 0.00 -2.42 0.00 0.00 31.31 26.08 2aiq n TRP 99 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2aiq n ASP 100 N -2.66 3.19 -3.66 -0.99 2.03 -1.26 -2.95 116.55 110.25 2aiq n ASP 100 Ca -0.19 1.20 -0.28 0.00 0.52 0.00 0.00 54.79 56.04 2aiq n ASP 100 Cb 0.62 -1.53 0.04 0.00 -0.72 0.00 0.00 41.12 39.54 2aiq n ASP 100 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2aiq n LYS 101 N 0.91 -1.93 -2.66 -0.67 5.02 -1.26 -4.80 118.16 112.77 2aiq n LYS 101 Ca 0.05 0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 56.43 2aiq n LYS 101 Cb 0.36 -4.47 -0.01 0.00 -0.02 0.00 0.00 35.03 30.89 2aiq n LYS 101 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2aiq s ASP 102 N -3.64 6.81 -0.17 4.39 2.15 -1.15 -4.72 116.67 120.34 2aiq s ASP 102 Ca 0.38 -2.34 -0.16 0.00 0.43 0.00 0.00 52.55 50.86 2aiq s ASP 102 Cb -0.12 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.00 2aiq s ASP 102 CO 0.84 -1.15 0.46 -0.51 -0.17 0.00 0.00 175.17 174.64 2aiq s ILE 103 N 3.84 0.00 -0.05 4.11 2.07 -1.26 -4.15 121.20 125.76 2aiq s ILE 103 Ca 0.50 -0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.71 2aiq s ILE 103 Cb 0.02 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 41.99 2aiq s ILE 103 CO 0.03 -0.00 0.11 -0.32 -1.91 0.00 0.00 174.94 172.85 2aiq s MET 104 N 0.22 0.07 -0.19 3.50 -2.45 0.23 -3.93 119.30 116.76 2aiq s MET 104 Ca -0.00 0.28 -0.05 0.00 -1.25 0.00 0.00 55.69 54.67 2aiq s MET 104 Cb -0.03 -0.14 -0.02 0.00 1.25 0.00 0.00 34.83 35.89 2aiq s MET 104 CO 0.01 -0.13 -0.01 -1.17 1.05 0.00 0.00 175.02 174.77 2aiq s LEU 105 N 0.88 3.23 -0.08 4.11 2.96 0.31 -1.12 118.68 128.97 2aiq s LEU 105 Ca -0.07 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2aiq s LEU 105 Cb -0.09 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2aiq s LEU 105 CO -0.04 0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.24 2aiq s ILE 106 N 0.88 1.73 -0.12 6.68 1.01 0.11 -0.34 121.20 131.15 2aiq s ILE 106 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 2aiq s ILE 106 Cb -0.14 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2aiq s ILE 106 CO 0.02 0.49 0.35 -0.60 0.00 0.00 0.00 174.94 175.20 2aiq s ARG 107 N 0.28 4.17 0.61 2.79 3.52 -0.18 -0.46 118.95 129.69 2aiq s ARG 107 Ca -0.13 0.23 -0.14 0.00 -0.13 0.00 0.00 55.73 55.55 2aiq s ARG 107 Cb -0.16 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 2aiq s ARG 107 CO 0.06 0.33 1.05 -0.51 -0.81 0.00 0.00 175.30 175.41 2aiq s LEU 108 N 0.15 3.41 0.40 -0.88 1.43 0.18 0.59 118.68 123.95 2aiq s LEU 108 Ca 0.20 1.72 0.12 0.00 -1.03 0.00 0.00 54.13 55.14 2aiq s LEU 108 Cb -0.14 -4.52 0.82 0.00 0.03 0.00 0.00 46.19 42.38 2aiq s LEU 108 CO 0.07 -1.15 1.90 -0.55 0.23 0.00 0.00 176.35 176.84 2aiq h ASN 109 N 0.16 0.06 -4.84 2.29 -1.07 -1.27 -3.40 115.58 107.51 2aiq h ASN 109 Ca -0.46 -0.02 -0.16 0.00 0.07 0.00 0.00 56.30 55.74 2aiq h ASN 109 Cb 1.21 -0.02 -0.21 0.00 -2.07 0.00 0.00 38.32 37.23 2aiq h ASN 109 CO 0.58 0.32 -0.54 -0.13 0.07 0.00 0.00 177.43 177.73 2aiq s ARG 110 N -4.46 0.41 0.91 4.14 0.52 -1.26 -4.99 118.95 114.22 2aiq s ARG 110 Ca -0.04 -0.38 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 2aiq s ARG 110 Cb 0.15 0.17 0.14 0.00 0.52 0.00 0.00 34.95 35.93 2aiq s ARG 110 CO 0.72 -0.09 1.10 -2.14 0.02 0.00 0.00 175.30 174.90 2aiq s PRO 111 N -1.24 1.09 -0.10 3.54 0.02 -1.26 -4.89 135.00 132.17 2aiq s PRO 111 Ca -0.13 1.06 0.02 0.00 0.02 0.00 0.00 61.00 61.97 2aiq s PRO 111 Cb -0.07 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.69 2aiq s PRO 111 CO 0.01 -2.43 -0.16 0.14 -0.33 0.00 0.00 177.00 174.23 2aiq s VAL 112 N -2.80 1.53 0.48 3.83 -7.23 0.89 -5.00 120.40 112.11 2aiq s VAL 112 Ca 0.64 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 60.01 2aiq s VAL 112 Cb -0.20 -1.38 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 2aiq s VAL 112 CO 0.58 0.45 0.89 -0.13 -0.31 0.00 0.00 175.10 176.57 2aiq s ARG 113 N 0.78 3.79 0.31 4.82 1.81 -1.26 -4.64 118.95 124.56 2aiq s ARG 113 Ca -0.11 0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 54.26 2aiq s ARG 113 Cb -0.16 -2.25 -0.11 0.00 -0.45 0.00 0.00 34.95 31.98 2aiq s ARG 113 CO 0.02 -0.22 1.52 -0.80 -0.68 0.00 0.00 175.30 175.14 2aiq s ASN 114 N -3.37 6.44 0.28 0.23 -0.87 -1.26 -4.80 114.94 111.59 2aiq s ASN 114 Ca 0.54 2.91 -0.04 0.00 -1.57 0.00 0.00 52.86 54.70 2aiq s ASN 114 Cb -0.10 -2.64 0.02 0.00 -0.02 0.00 0.00 41.25 38.50 2aiq s ASN 114 CO 0.36 -0.84 0.44 -1.54 -2.57 0.00 0.00 177.10 172.95 2aiq n SER 115 N 1.65 -1.23 -0.34 -1.22 3.41 0.02 -4.95 113.62 110.96 2aiq n SER 115 Ca 0.05 -2.39 0.18 0.00 -0.26 0.00 0.00 58.87 56.46 2aiq n SER 115 Cb 0.39 2.21 0.41 0.00 -0.26 0.00 0.00 64.21 66.96 2aiq n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aiq h ALA 116 N 1.92 1.91 -0.08 7.33 0.00 -1.97 -2.31 119.26 126.07 2aiq h ALA 116 Ca -0.22 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2aiq h ALA 116 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2aiq h ALA 116 CO 0.29 -0.35 0.00 0.72 0.00 0.00 0.00 179.25 179.92 2aiq n HIS 117 N -4.78 0.14 -4.04 0.00 8.25 -1.26 -4.94 115.22 108.59 2aiq n HIS 117 Ca 0.26 -0.64 -0.22 0.00 -0.26 0.00 0.00 57.72 56.87 2aiq n HIS 117 Cb 0.76 -0.09 -0.17 0.00 1.12 0.00 0.00 29.99 31.62 2aiq n HIS 117 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2aiq s ILE 118 N -1.54 0.56 -0.26 1.59 1.01 -0.87 -3.81 121.20 117.88 2aiq s ILE 118 Ca 0.14 -0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.45 2aiq s ILE 118 Cb 0.10 -0.62 0.11 0.00 0.01 0.00 0.00 42.46 42.06 2aiq s ILE 118 CO 0.04 0.25 0.93 0.00 0.00 0.00 0.00 174.94 176.17 2aiq s ALA 119 N 1.29 -1.91 0.72 9.38 0.00 -0.58 -0.80 121.76 129.86 2aiq s ALA 119 Ca -0.05 1.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 2aiq s ALA 119 Cb -0.14 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.76 2aiq s ALA 119 CO -0.02 -0.27 1.07 -1.25 0.00 0.00 0.00 175.76 175.28 2aiq s PRO 120 N 0.10 2.71 -0.15 0.00 0.04 -1.26 -2.39 135.00 134.05 2aiq s PRO 120 Ca 0.01 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2aiq s PRO 120 Cb -0.04 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2aiq s PRO 120 CO -0.03 -1.28 -0.19 -1.17 0.04 0.00 0.00 177.00 174.37 2aiq s LEU 121 N -5.67 1.99 0.00 -3.56 0.20 0.37 -4.87 118.68 107.15 2aiq s LEU 121 Ca 0.59 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.84 2aiq s LEU 121 Cb -0.15 -1.36 0.00 0.00 -0.43 0.00 0.00 46.19 44.25 2aiq s LEU 121 CO 0.55 0.03 0.00 -1.20 -0.29 0.00 0.00 176.35 175.44 2aiq n SER 122 N 4.33 0.00 -4.83 3.68 7.64 -1.26 -4.08 113.62 119.10 2aiq n SER 122 Ca -0.20 -0.58 -0.37 0.00 1.01 0.00 0.00 58.87 58.74 2aiq n SER 122 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2aiq n SER 122 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2aiq s LEU 123 N 0.00 4.44 0.49 -3.43 1.43 -1.26 -4.39 118.68 115.95 2aiq s LEU 123 Ca 0.00 1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 54.07 2aiq s LEU 123 Cb 0.00 -3.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.08 2aiq s LEU 123 CO 0.00 0.19 1.17 -2.16 0.23 0.00 0.00 176.35 175.79 2aiq s PRO 124 N -1.50 3.60 0.08 1.29 0.04 -1.26 -4.92 135.00 132.33 2aiq s PRO 124 Ca 0.33 1.78 0.26 0.00 0.04 0.00 0.00 61.00 63.41 2aiq s PRO 124 Cb -0.17 -2.30 0.66 0.00 0.04 0.00 0.00 34.50 32.72 2aiq s PRO 124 CO 0.19 -0.68 1.55 -1.13 0.04 0.00 0.00 177.00 176.97 2aiq n SER 125 N -0.73 0.51 -3.52 6.66 3.41 -1.26 -4.90 113.62 113.80 2aiq n SER 125 Ca 0.09 0.17 -0.10 0.00 -0.26 0.00 0.00 58.87 58.77 2aiq n SER 125 Cb 0.48 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2aiq n SER 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2aiq s ASN 127 N -3.67 -0.39 0.65 4.04 4.22 -1.26 -5.16 114.94 113.37 2aiq s ASN 127 Ca 0.10 0.16 -0.11 0.00 -2.14 0.00 0.00 52.86 50.87 2aiq s ASN 127 Cb 0.16 0.38 -0.02 0.00 1.28 0.00 0.00 41.25 43.04 2aiq s ASN 127 CO 0.65 -0.55 1.04 -2.16 -2.04 0.00 0.00 177.10 174.04 2aiq s PRO 128 N -2.47 3.33 0.23 3.55 0.04 -1.26 -4.92 135.00 133.50 2aiq s PRO 128 Ca 0.02 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 2aiq s PRO 128 Cb -0.01 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2aiq s PRO 128 CO -0.05 -0.77 0.75 -1.25 0.04 0.00 0.00 177.00 175.71 2aiq s PRO 129 N -5.15 4.28 0.40 0.56 0.04 -1.26 -5.03 135.00 128.85 2aiq s PRO 129 Ca 0.56 0.91 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 2aiq s PRO 129 Cb -0.12 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 2aiq s PRO 129 CO 0.54 0.38 1.36 -1.12 0.04 0.00 0.00 177.00 178.20 2aiq s SER 131 N -1.66 6.28 0.23 6.66 0.01 -1.26 -4.95 113.70 119.01 2aiq s SER 131 Ca 0.44 2.77 -0.31 0.00 1.31 0.00 0.00 55.95 60.16 2aiq s SER 131 Cb -0.17 -2.65 -0.14 0.00 0.21 0.00 0.00 66.02 63.27 2aiq s SER 131 CO 0.21 -0.88 1.23 0.52 0.41 0.00 0.00 173.24 174.73 2aiq n VAL 132 N 0.19 1.17 0.00 3.43 0.31 -1.26 -1.49 118.33 120.68 2aiq n VAL 132 Ca 0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2aiq n VAL 132 Cb 0.42 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 2aiq n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2aiq n GLY 133 N 1.86 2.25 3.72 2.92 0.00 0.89 -4.97 105.19 111.85 2aiq n GLY 133 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2aiq n GLY 133 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aiq n SER 134 N 0.00 2.65 -4.73 1.61 7.64 -0.55 -4.65 113.62 115.58 2aiq n SER 134 Ca 0.00 1.06 -0.40 0.00 1.01 0.00 0.00 58.87 60.54 2aiq n SER 134 Cb 0.00 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 61.62 2aiq n SER 134 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2aiq s VAL 135 N -1.24 4.70 0.08 0.44 1.01 -1.26 -1.08 120.40 123.06 2aiq s VAL 135 Ca 0.64 1.79 0.07 0.00 0.00 0.00 0.00 61.98 64.48 2aiq s VAL 135 Cb -0.47 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 2aiq s VAL 135 CO 0.55 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.80 2aiq s ARG 137 N -1.78 4.00 0.23 0.00 6.06 0.17 -0.49 118.95 127.12 2aiq s ARG 137 Ca 0.02 0.25 0.10 0.00 -2.50 0.00 0.00 55.73 53.61 2aiq s ARG 137 Cb -0.10 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.57 2aiq s ARG 137 CO 0.03 0.51 -0.12 0.96 -2.50 0.00 0.00 175.30 174.19 2aiq s ILE 138 N -0.43 2.97 -0.09 4.11 -4.36 -0.05 -1.29 121.20 122.06 2aiq s ILE 138 Ca 0.21 -1.94 -0.31 0.00 -0.26 0.00 0.00 60.65 58.35 2aiq s ILE 138 Cb -0.15 -2.52 0.09 0.00 1.25 0.00 0.00 42.46 41.13 2aiq s ILE 138 CO 0.09 -0.24 0.78 0.00 0.24 0.00 0.00 174.94 175.81 2aiq s MET 139 N -3.16 0.91 0.00 0.37 0.23 -1.26 -1.69 119.30 114.70 2aiq s MET 139 Ca 0.27 0.25 0.00 0.00 -1.03 0.00 0.00 55.69 55.18 2aiq s MET 139 Cb -0.07 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 2aiq s MET 139 CO 0.15 -0.28 0.00 0.41 -2.03 0.00 0.00 175.02 173.28 2aiq n GLY 140 N 0.92 0.31 1.76 3.16 0.00 -0.57 -4.61 105.19 106.16 2aiq n GLY 140 Ca -0.16 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 44.86 2aiq n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2aiq n TRP 141 N -0.58 1.81 -1.24 1.61 8.01 -1.26 -0.94 117.44 124.84 2aiq n TRP 141 Ca 0.00 -0.67 -0.30 0.00 -1.31 0.00 0.00 57.50 55.23 2aiq n TRP 141 Cb 0.00 -0.39 0.22 0.00 -2.01 0.00 0.00 31.31 29.13 2aiq n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2aiq s GLY 142 N -0.83 1.60 0.46 6.99 0.00 -1.24 -4.23 107.32 110.07 2aiq s GLY 142 Ca 0.53 -0.86 -0.24 0.00 0.00 0.00 0.00 44.72 44.15 2aiq s GLY 142 CO 0.20 -0.06 1.30 -0.37 0.00 0.00 0.00 173.10 174.17 2aiq n THR 143 N -4.47 2.90 0.78 0.90 5.66 0.32 -3.27 114.28 117.10 2aiq n THR 143 Ca 0.12 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.71 2aiq n THR 143 Cb 0.59 -1.61 0.06 0.00 -1.55 0.00 0.00 70.33 67.83 2aiq n THR 143 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2aiq n ILE 144 N -0.45 0.00 -4.26 1.09 -5.35 -0.16 -0.70 119.36 109.54 2aiq n ILE 144 Ca 0.07 -0.47 -0.21 0.00 -0.27 0.00 0.00 62.75 61.88 2aiq n ILE 144 Cb 0.41 1.36 -0.12 0.00 -1.74 0.00 0.00 39.64 39.55 2aiq n ILE 144 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2aiq s THR 145 N -1.66 1.50 -0.30 7.28 -4.23 -1.26 -4.55 115.64 112.43 2aiq s THR 145 Ca 0.21 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 2aiq s THR 145 Cb 0.15 -1.48 0.13 0.00 1.34 0.00 0.00 72.50 72.64 2aiq s THR 145 CO 0.27 -0.22 0.67 -0.55 -0.54 0.00 0.00 174.62 174.26 2aiq s SER 146 N -2.12 -1.10 1.09 3.99 0.15 -1.26 -4.41 113.70 110.05 2aiq s SER 146 Ca 0.06 1.53 -0.18 0.00 0.70 0.00 0.00 55.95 58.07 2aiq s SER 146 Cb -0.08 2.17 0.25 0.00 -1.71 0.00 0.00 66.02 66.65 2aiq s SER 146 CO 0.04 -0.22 1.22 -2.16 1.20 0.00 0.00 173.24 173.32 2aiq s PRO 147 N 2.74 -0.37 0.01 5.44 0.04 -1.26 -4.57 135.00 137.03 2aiq s PRO 147 Ca -0.06 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.71 2aiq s PRO 147 Cb -0.11 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2aiq s PRO 147 CO -0.19 -3.11 0.00 0.09 0.04 0.00 0.00 177.00 173.83 2aiq n ASN 148 N -4.29 -3.88 -4.73 6.66 4.13 -1.26 -4.95 115.26 106.94 2aiq n ASN 148 Ca 0.15 0.45 -0.42 0.00 1.68 0.00 0.00 54.58 56.44 2aiq n ASN 148 Cb 0.59 -2.05 -0.03 0.00 -1.54 0.00 0.00 39.78 36.76 2aiq n ASN 148 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aiq s ALA 149 N -0.15 3.69 -0.27 5.41 0.00 -1.26 -4.50 121.76 124.68 2aiq s ALA 149 Ca 0.00 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 2aiq s ALA 149 Cb 0.00 -3.58 0.09 0.00 0.00 0.00 0.00 23.12 19.62 2aiq s ALA 149 CO 0.00 -0.74 0.07 0.99 0.00 0.00 0.00 175.76 176.08 2aiq s THR 150 N 0.67 0.79 -0.21 0.00 2.01 -1.26 -4.97 115.64 112.67 2aiq s THR 150 Ca 0.65 -1.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 2aiq s THR 150 Cb -0.42 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2aiq s THR 150 CO 0.36 -0.51 0.59 -0.76 -0.69 0.00 0.00 174.62 173.61 2aiq s LEU 151 N 1.68 4.13 0.60 4.42 1.43 -1.26 -0.98 118.68 128.70 2aiq s LEU 151 Ca 0.06 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 2aiq s LEU 151 Cb -0.17 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2aiq s LEU 151 CO -0.20 -0.26 1.03 -2.16 0.23 0.00 0.00 176.35 174.99 2aiq s PRO 152 N 1.90 3.53 0.23 1.29 0.04 -1.26 -4.98 135.00 135.76 2aiq s PRO 152 Ca 0.27 0.92 0.14 0.00 0.04 0.00 0.00 61.00 62.37 2aiq s PRO 152 Cb -0.16 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 2aiq s PRO 152 CO 0.10 -0.62 1.36 -0.44 0.04 0.00 0.00 177.00 177.44 2aiq h ASP 153 N 0.10 0.00 -3.77 6.66 3.32 -1.94 -3.46 116.42 117.33 2aiq h ASP 153 Ca -0.45 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 55.92 2aiq h ASP 153 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 2aiq h ASP 153 CO 0.60 0.60 -0.83 0.68 -1.72 0.00 0.00 179.24 178.57 2aiq s VAL 154 N -2.91 2.55 0.41 -1.35 -7.23 -1.26 0.18 120.40 110.78 2aiq s VAL 154 Ca 0.03 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.29 2aiq s VAL 154 Cb 0.08 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 2aiq s VAL 154 CO 0.77 0.08 1.24 -2.16 -0.31 0.00 0.00 175.10 174.71 2aiq s PRO 155 N -2.15 3.97 0.11 4.82 0.04 -1.26 -4.83 135.00 135.71 2aiq s PRO 155 Ca 0.16 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.23 2aiq s PRO 155 Cb -0.10 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 2aiq s PRO 155 CO 0.08 -0.44 0.17 -1.01 0.04 0.00 0.00 177.00 175.84 2aiq s HIS 156 N -1.34 3.34 0.04 0.56 3.76 -0.12 -1.05 115.29 120.48 2aiq s HIS 156 Ca 0.58 0.11 0.03 0.00 -0.15 0.00 0.00 55.06 55.63 2aiq s HIS 156 Cb -0.34 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 2aiq s HIS 156 CO 0.44 0.54 -0.10 0.00 -0.85 0.00 0.00 174.74 174.77 2aiq s ALA 158 N -1.06 -0.50 -0.20 0.00 0.00 -0.68 -1.42 121.76 117.89 2aiq s ALA 158 Ca -0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 2aiq s ALA 158 Cb -0.08 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2aiq s ALA 158 CO 0.01 -0.58 0.11 -0.80 0.00 0.00 0.00 175.76 174.49 2aiq s ASN 159 N -2.85 5.99 0.07 0.00 0.01 -1.26 -0.87 114.94 116.04 2aiq s ASN 159 Ca 0.05 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 2aiq s ASN 159 Cb 0.03 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.64 2aiq s ASN 159 CO -0.10 0.17 0.03 2.30 -1.51 0.00 0.00 177.10 177.99 2aiq n ILE 160 N 3.60 0.00 -4.20 0.60 -5.35 0.35 -4.96 119.36 109.41 2aiq n ILE 160 Ca -0.16 -0.45 -0.18 0.00 -0.27 0.00 0.00 62.75 61.69 2aiq n ILE 160 Cb 0.52 0.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.48 2aiq n ILE 160 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2aiq s ASN 161 N -1.47 1.80 -0.04 7.28 0.01 -0.20 0.09 114.94 122.42 2aiq s ASN 161 Ca 0.04 -0.72 -0.30 0.00 -0.71 0.00 0.00 52.86 51.18 2aiq s ASN 161 Cb 0.00 -0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.56 2aiq s ASN 161 CO 0.03 -0.12 1.45 -0.63 -1.51 0.00 0.00 177.10 176.31 2aiq s ILE 162 N -1.75 3.75 0.18 0.60 -1.09 -0.24 -0.76 121.20 121.89 2aiq s ILE 162 Ca 0.03 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.54 2aiq s ILE 162 Cb -0.07 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2aiq s ILE 162 CO 0.02 -0.04 0.32 -0.76 -1.23 0.00 0.00 174.94 173.25 2aiq s LEU 163 N 2.97 4.32 0.05 2.97 1.43 0.57 -0.08 118.68 130.91 2aiq s LEU 163 Ca 0.65 0.17 -0.36 0.00 -1.03 0.00 0.00 54.13 53.56 2aiq s LEU 163 Cb -0.30 -2.93 -0.15 0.00 0.03 0.00 0.00 46.19 42.84 2aiq s LEU 163 CO 0.25 0.01 1.53 -0.67 0.23 0.00 0.00 176.35 177.70 2aiq n ASP 164 N -0.79 2.42 0.06 2.29 4.64 -1.26 -4.45 116.55 119.45 2aiq n ASP 164 Ca -0.07 1.09 0.18 0.00 -1.38 0.00 0.00 54.79 54.61 2aiq n ASP 164 Cb 0.55 -1.28 0.70 0.00 -1.04 0.00 0.00 41.12 40.04 2aiq n ASP 164 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 2aiq h TYR 165 N 5.83 0.00 -0.03 -0.67 3.20 -1.96 -0.05 116.97 123.28 2aiq h TYR 165 Ca -0.47 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.41 2aiq h TYR 165 Cb 1.30 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 2aiq h TYR 165 CO 0.66 0.00 0.04 0.00 -1.64 0.00 0.00 178.16 177.21 2aiq h ALA 166 N 1.76 1.56 -0.33 1.82 0.00 -1.98 -0.96 119.26 121.12 2aiq h ALA 166 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2aiq h ALA 166 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2aiq h ALA 166 CO -0.00 -0.05 0.04 0.28 0.00 0.00 0.00 179.25 179.51 2aiq h VAL 167 N 0.00 1.24 -0.23 0.00 2.07 -1.35 -0.35 116.25 117.63 2aiq h VAL 167 Ca 0.01 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 2aiq h VAL 167 Cb 0.09 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2aiq h VAL 167 CO -0.00 0.29 -0.39 0.00 0.02 0.00 0.00 177.57 177.48 2aiq h GLN 169 N 0.44 1.12 -0.49 0.00 4.20 -1.04 0.19 115.11 119.52 2aiq h GLN 169 Ca 0.04 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 2aiq h GLN 169 Cb 0.88 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2aiq h GLN 169 CO 0.07 0.87 -0.16 0.00 -0.67 0.00 0.00 178.83 178.94 2aiq h ALA 170 N 1.29 0.69 0.02 3.87 0.00 -0.87 -3.26 119.26 120.99 2aiq h ALA 170 Ca 0.27 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2aiq h ALA 170 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2aiq h ALA 170 CO -0.03 0.63 -0.94 0.00 0.00 0.00 0.00 179.25 178.91 2aiq h ALA 171 N 0.88 0.43 -2.92 0.00 0.00 -1.01 -3.43 119.26 113.21 2aiq h ALA 171 Ca 0.12 -0.75 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 2aiq h ALA 171 Cb 0.73 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.06 2aiq h ALA 171 CO 0.06 0.93 -0.77 0.71 0.00 0.00 0.00 179.25 180.17 2aiq s TYR 172 N -3.11 1.55 0.08 0.00 2.02 0.62 -5.07 117.35 113.45 2aiq s TYR 172 Ca -0.03 -2.03 -0.31 0.00 -0.37 0.00 0.00 57.07 54.33 2aiq s TYR 172 Cb 0.09 -1.58 -0.09 0.00 -0.40 0.00 0.00 41.96 39.99 2aiq s TYR 172 CO 0.84 -0.82 1.66 0.15 -1.57 0.00 0.00 175.55 175.81 2aiq s LYS 174 N 0.86 4.19 0.00 -0.62 1.02 -1.26 -2.32 119.74 121.61 2aiq s LYS 174 Ca 0.16 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.50 2aiq s LYS 174 Cb -0.22 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2aiq s LYS 174 CO -0.06 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.05 2aiq n GLY 175 N 3.99 0.90 3.73 -3.33 0.00 -1.26 -4.94 105.19 104.28 2aiq n GLY 175 Ca 0.16 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2aiq n GLY 175 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aiq n LEU 176 N 0.00 4.01 -4.79 0.99 0.00 -0.98 -0.07 117.00 116.15 2aiq n LEU 176 Ca 0.00 1.18 -0.34 0.00 0.00 0.00 0.00 56.01 56.85 2aiq n LEU 176 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 43.42 41.85 2aiq n LEU 176 CO 0.00 -0.13 0.72 0.00 0.00 0.00 0.00 177.39 177.98 2aiq s ALA 177 N -0.54 2.84 1.06 1.96 0.00 -1.26 -4.73 121.76 121.09 2aiq s ALA 177 Ca 0.60 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 2aiq s ALA 177 Cb -0.54 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 19.44 2aiq s ALA 177 CO 0.56 -0.39 0.57 0.00 0.00 0.00 0.00 175.76 176.49 2aiq n ALA 178 N -1.06 -1.16 -4.16 0.00 0.00 -1.26 -4.26 120.51 108.62 2aiq n ALA 178 Ca 0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 2aiq n ALA 178 Cb 0.52 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 2aiq n ALA 178 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2aiq n THR 179 N -3.23 -1.83 -4.16 0.00 -2.24 -1.26 -4.66 114.28 96.90 2aiq n THR 179 Ca 0.07 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2aiq n THR 179 Cb 0.27 -1.81 -0.10 0.00 -2.10 0.00 0.00 70.33 66.59 2aiq n THR 179 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2aiq s THR 180 N -3.91 0.77 0.02 4.28 -4.23 -1.26 -0.65 115.64 110.66 2aiq s THR 180 Ca 0.21 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 2aiq s THR 180 Cb -0.11 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 2aiq s THR 180 CO 0.94 -0.72 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.53 2aiq s LEU 181 N -2.72 3.45 -0.25 4.79 1.43 0.14 -4.76 118.68 120.77 2aiq s LEU 181 Ca 0.08 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 2aiq s LEU 181 Cb 0.01 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 2aiq s LEU 181 CO -0.02 0.25 0.15 0.00 0.23 0.00 0.00 176.35 176.96 2aiq s ALA 183 N 1.34 -0.67 0.00 0.00 0.00 -0.55 -0.32 121.76 121.56 2aiq s ALA 183 Ca 0.07 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2aiq s ALA 183 Cb -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2aiq s ALA 183 CO 0.06 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2aiq n GLY 184 N 2.88 -0.56 3.23 0.00 0.00 0.06 -0.69 105.19 110.12 2aiq n GLY 184 Ca -0.13 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2aiq n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aiq s ILE 185 N -3.53 2.28 0.28 -0.61 -1.09 -1.26 -1.04 121.20 116.23 2aiq s ILE 185 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 2aiq s ILE 185 Cb 0.00 -1.91 0.28 0.00 -1.58 0.00 0.00 42.46 39.24 2aiq s ILE 185 CO 0.00 0.54 1.84 0.25 -1.23 0.00 0.00 174.94 176.34 2aiq h LEU 186 N 7.01 0.92 -0.06 2.97 5.85 -1.95 0.15 115.31 130.19 2aiq h LEU 186 Ca -0.26 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2aiq h LEU 186 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2aiq h LEU 186 CO 0.52 0.50 -0.00 -1.84 -0.34 0.00 0.00 178.44 177.28 2aiq n GLU 186 N -4.62 0.94 0.00 1.25 0.00 -1.26 -0.57 120.64 116.38 2aiq n GLU 186 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.28 2aiq n GLU 186 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.27 2aiq n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2aiq n GLY 186 N 1.06 -1.80 0.00 -1.84 0.00 0.54 -4.07 105.19 99.07 2aiq n GLY 186 Ca 0.22 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2aiq n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiq n GLY 187 N 0.00 2.77 3.07 -0.02 0.00 0.37 -4.77 105.19 106.62 2aiq n GLY 187 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2aiq n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiq s LYS 188 N 0.00 1.10 -0.16 1.61 1.02 -1.26 -3.75 119.74 118.30 2aiq s LYS 188 Ca 0.00 -0.44 -0.34 0.00 0.02 0.00 0.00 55.97 55.21 2aiq s LYS 188 Cb 0.00 -1.04 0.13 0.00 -0.52 0.00 0.00 37.83 36.40 2aiq s LYS 188 CO 0.00 0.23 1.16 0.34 -0.92 0.00 0.00 175.35 176.16 2aiq s ASP 189 N -0.15 -0.18 0.94 2.83 2.15 -0.80 -4.12 116.67 117.35 2aiq s ASP 189 Ca 0.02 0.01 -0.14 0.00 0.43 0.00 0.00 52.55 52.87 2aiq s ASP 189 Cb -0.07 0.18 0.16 0.00 -0.30 0.00 0.00 42.92 42.90 2aiq s ASP 189 CO 0.00 -0.29 1.21 0.42 -0.17 0.00 0.00 175.17 176.34 2aiq s THR 190 N -2.46 1.95 0.11 1.71 -4.23 -1.26 0.15 115.64 111.60 2aiq s THR 190 Ca 0.08 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 2aiq s THR 190 Cb -0.01 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.98 2aiq s THR 190 CO -0.05 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.25 2aiq n LYS 192 N -0.16 1.74 0.00 0.00 4.76 -1.26 -0.89 118.16 122.34 2aiq n LYS 192 Ca -0.02 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2aiq n LYS 192 Cb 0.17 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.02 2aiq n LYS 192 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aiq n GLY 193 N 3.11 2.25 0.02 0.72 0.00 -1.26 -0.52 105.19 109.51 2aiq n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2aiq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aiq n ASP 194 N 0.00 0.61 -4.62 1.61 8.00 -0.07 -3.70 116.55 118.37 2aiq n ASP 194 Ca 0.00 -0.22 -0.39 0.00 0.71 0.00 0.00 54.79 54.89 2aiq n ASP 194 Cb 0.00 0.44 0.04 0.00 -0.02 0.00 0.00 41.12 41.58 2aiq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2aiq n SER 195 N -1.75 1.02 0.00 -2.24 7.64 -1.26 -1.62 113.62 115.42 2aiq n SER 195 Ca 0.04 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.80 2aiq n SER 195 Cb 0.38 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2aiq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aiq n GLY 196 N 1.22 3.14 3.80 0.23 0.00 0.30 0.00 105.19 113.88 2aiq n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2aiq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aiq s GLY 197 N -1.68 1.63 0.27 -0.02 0.00 -0.64 -3.31 107.32 103.58 2aiq s GLY 197 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 2aiq s GLY 197 CO 0.00 0.28 0.81 2.56 0.00 0.00 0.00 173.10 176.75 2aiq s PRO 198 N -5.11 4.35 -0.31 2.90 0.04 -1.26 -0.81 135.00 134.80 2aiq s PRO 198 Ca 0.61 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2aiq s PRO 198 Cb -0.15 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 2aiq s PRO 198 CO 0.55 0.32 0.17 -1.17 0.04 0.00 0.00 177.00 176.90 2aiq s LEU 199 N -2.12 4.15 -0.24 -3.56 2.96 0.33 -4.12 118.68 116.08 2aiq s LEU 199 Ca 0.47 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 2aiq s LEU 199 Cb -0.17 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2aiq s LEU 199 CO 0.21 -0.18 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.42 2aiq s ILE 200 N 1.64 3.57 -0.07 6.68 -1.09 -0.41 -0.77 121.20 130.76 2aiq s ILE 200 Ca 0.05 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 2aiq s ILE 200 Cb -0.17 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2aiq s ILE 200 CO 0.07 0.35 -0.18 0.00 -1.23 0.00 0.00 174.94 173.96 2aiq n ASN 202 N 3.51 -4.41 0.00 0.00 3.02 -1.19 -0.76 115.26 115.42 2aiq n ASN 202 Ca -0.20 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2aiq n ASN 202 Cb 0.52 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 2aiq n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aiq n GLY 207 N -1.53 0.51 3.56 7.41 0.00 -1.26 -5.01 105.19 108.88 2aiq n GLY 207 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2aiq n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aiq s GLN 208 N -0.40 2.49 -0.60 1.61 -0.21 0.06 -5.04 119.66 117.57 2aiq s GLN 208 Ca 0.00 -0.75 -0.27 0.00 0.02 0.00 0.00 55.36 54.36 2aiq s GLN 208 Cb 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2aiq s GLN 208 CO 0.00 0.60 1.55 0.12 -2.12 0.00 0.00 175.29 175.44 2aiq s PHE 209 N -0.95 2.07 -0.06 0.91 5.36 -1.26 -0.65 117.98 123.39 2aiq s PHE 209 Ca 0.16 0.48 0.08 0.00 -0.96 0.00 0.00 56.93 56.69 2aiq s PHE 209 Cb -0.11 -4.33 -0.12 0.00 -0.34 0.00 0.00 43.02 38.12 2aiq s PHE 209 CO 0.06 -2.16 0.09 1.04 -1.46 0.00 0.00 175.22 172.79 2aiq n GLN 210 N 8.94 1.81 -4.02 10.12 1.13 0.05 -4.11 117.38 131.30 2aiq n GLN 210 Ca 0.14 -0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 2aiq n GLN 210 Cb 0.50 -1.23 -0.11 0.00 0.11 0.00 0.00 30.24 29.51 2aiq n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2aiq s GLY 211 N -3.77 0.33 -0.19 1.08 0.00 -0.90 -1.12 107.32 102.75 2aiq s GLY 211 Ca -0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.85 2aiq s GLY 211 CO 0.38 -0.91 -0.16 -0.42 0.00 0.00 0.00 173.10 171.99 2aiq s ILE 212 N -2.38 2.42 0.19 0.90 1.01 -0.56 -0.52 121.20 122.27 2aiq s ILE 212 Ca -0.07 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.44 2aiq s ILE 212 Cb -0.03 -2.05 -0.11 0.00 0.01 0.00 0.00 42.46 40.28 2aiq s ILE 212 CO -0.04 0.51 1.67 -0.22 0.00 0.00 0.00 174.94 176.86 2aiq s LEU 213 N 1.34 4.37 -0.02 2.97 2.96 0.01 0.03 118.68 130.34 2aiq s LEU 213 Ca 0.05 2.77 -0.04 0.00 -0.22 0.00 0.00 54.13 56.69 2aiq s LEU 213 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2aiq s LEU 213 CO -0.10 -0.92 -0.08 -0.24 -1.32 0.00 0.00 176.35 173.68 2aiq n SER 214 N 4.08 0.71 -4.03 3.68 2.88 0.12 -0.54 113.62 120.53 2aiq n SER 214 Ca 0.15 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.69 2aiq n SER 214 Cb 0.36 -0.38 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2aiq n SER 214 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2aiq s VAL 215 N -1.68 0.00 -0.13 2.46 -7.23 -1.02 -4.88 120.40 107.92 2aiq s VAL 215 Ca -0.07 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2aiq s VAL 215 Cb 0.01 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.58 2aiq s VAL 215 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 2aiq n GLY 216 N -0.35 -1.13 3.78 2.32 0.00 -1.26 -0.16 105.19 108.39 2aiq n GLY 216 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2aiq n GLY 216 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aiq s GLY 217 N 0.00 2.64 -0.09 -0.02 0.00 -1.26 -5.03 107.32 103.56 2aiq s GLY 217 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 2aiq s GLY 217 CO 0.00 1.13 -0.04 0.21 0.00 0.00 0.00 173.10 174.40 2aiq s ASN 218 N -1.72 1.86 0.74 1.64 3.84 -1.26 -3.25 114.94 116.79 2aiq s ASN 218 Ca 0.66 -0.19 -0.15 0.00 0.21 0.00 0.00 52.86 53.40 2aiq s ASN 218 Cb -0.22 -0.64 0.04 0.00 -0.55 0.00 0.00 41.25 39.89 2aiq s ASN 218 CO 0.26 -0.15 1.19 -2.16 -2.79 0.00 0.00 177.10 173.45 2aiq s PRO 219 N 1.82 2.11 0.63 0.43 0.04 -1.26 -5.12 135.00 133.65 2aiq s PRO 219 Ca 0.05 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 2aiq s PRO 219 Cb -0.12 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2aiq s PRO 219 CO -0.07 -1.85 0.98 0.00 0.04 0.00 0.00 177.00 176.11 2aiq n ALA 221 N -2.75 -0.21 -1.80 0.00 0.00 -1.26 -4.90 120.51 109.60 2aiq n ALA 221 Ca 0.05 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 2aiq n ALA 221 Cb 0.57 -1.53 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 2aiq n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aiq s GLN 221 N -3.17 4.06 0.23 0.00 -1.52 -1.26 -0.47 119.66 117.52 2aiq s GLN 221 Ca 0.00 1.35 -0.32 0.00 -1.95 0.00 0.00 55.36 54.45 2aiq s GLN 221 Cb 0.00 -2.30 -0.13 0.00 -0.22 0.00 0.00 33.01 30.36 2aiq s GLN 221 CO 0.00 -0.21 1.44 -2.30 -0.25 0.00 0.00 175.29 173.97 2aiq n PRO 222 N -0.52 2.06 -1.86 2.91 -0.02 -1.26 -2.20 135.00 134.12 2aiq n PRO 222 Ca 0.07 0.74 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2aiq n PRO 222 Cb 0.52 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 2aiq n PRO 222 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aiq n ARG 223 N 2.22 -1.54 -3.45 -0.52 1.74 0.26 -4.88 116.66 110.49 2aiq n ARG 223 Ca 0.12 1.13 -0.26 0.00 -0.77 0.00 0.00 57.85 58.07 2aiq n ARG 223 Cb 0.31 -5.61 -0.09 0.00 -1.02 0.00 0.00 32.46 26.06 2aiq n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2aiq n LYS 224 N -2.57 1.52 -1.40 5.56 5.02 -0.93 -4.57 118.16 120.79 2aiq n LYS 224 Ca -0.22 -4.00 -0.22 0.00 -2.02 0.00 0.00 58.31 51.85 2aiq n LYS 224 Cb 0.67 -1.89 0.16 0.00 -0.02 0.00 0.00 35.03 33.96 2aiq n LYS 224 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2aiq n PRO 225 N 1.55 -1.08 -3.18 1.97 -0.02 -1.26 -4.32 135.00 128.66 2aiq n PRO 225 Ca 0.25 -1.54 -0.31 0.00 -2.02 0.00 0.00 63.50 59.88 2aiq n PRO 225 Cb 0.44 -1.05 -0.05 0.00 -0.02 0.00 0.00 33.50 32.82 2aiq n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2aiq s GLY 226 N -5.13 2.19 -0.20 -1.23 0.00 0.14 -3.98 107.32 99.10 2aiq s GLY 226 Ca 0.57 -0.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 2aiq s GLY 226 CO 0.40 0.01 -0.07 -0.42 0.00 0.00 0.00 173.10 173.03 2aiq s ILE 227 N -2.02 3.26 -0.12 0.90 1.01 0.78 -1.48 121.20 123.53 2aiq s ILE 227 Ca 0.51 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.64 2aiq s ILE 227 Cb -0.11 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.92 2aiq s ILE 227 CO 0.23 0.45 -0.19 -0.31 0.00 0.00 0.00 174.94 175.12 2aiq s TYR 228 N 1.25 2.30 0.27 3.97 1.51 -0.14 -0.70 117.35 125.81 2aiq s TYR 228 Ca 0.03 -1.10 -0.31 0.00 -1.01 0.00 0.00 57.07 54.69 2aiq s TYR 228 Cb -0.14 -1.60 -0.12 0.00 -0.11 0.00 0.00 41.96 39.99 2aiq s TYR 228 CO -0.02 -0.52 1.59 2.41 -1.11 0.00 0.00 175.55 177.90 2aiq n THR 229 N 4.07 0.85 -2.81 -0.71 -1.04 0.10 0.28 114.28 115.02 2aiq n THR 229 Ca -0.20 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.18 2aiq n THR 229 Cb 0.52 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.09 2aiq n THR 229 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2aiq s LYS 230 N -0.23 3.23 0.26 -2.82 2.20 0.17 -1.49 119.74 121.06 2aiq s LYS 230 Ca 0.66 -0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 2aiq s LYS 230 Cb -0.52 -4.40 0.46 0.00 -1.51 0.00 0.00 37.83 31.86 2aiq s LYS 230 CO 0.46 -1.88 1.81 0.28 -0.36 0.00 0.00 175.35 175.65 2aiq h VAL 231 N 6.01 0.87 -0.99 4.02 2.07 -1.42 -1.57 116.25 125.25 2aiq h VAL 231 Ca -0.19 -0.27 0.21 0.00 0.82 0.00 0.00 66.70 67.27 2aiq h VAL 231 Cb 1.06 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.71 2aiq h VAL 231 CO 1.20 0.15 0.58 0.15 0.02 0.00 0.00 177.57 179.66 2aiq h PHE 232 N 0.80 1.00 0.00 1.57 3.57 -1.83 0.74 116.94 122.79 2aiq h PHE 232 Ca 0.43 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 2aiq h PHE 232 Cb 0.45 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2aiq h PHE 232 CO -0.05 0.14 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.64 2aiq h ASP 233 N 0.65 0.00 -0.38 0.41 3.32 -1.67 -2.60 116.42 116.15 2aiq h ASP 233 Ca 0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 2aiq h ASP 233 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2aiq h ASP 233 CO -0.43 0.08 0.00 -1.22 -1.72 0.00 0.00 179.24 175.95 2aiq n TYR 234 N -3.51 0.50 -0.03 4.55 4.02 0.24 -4.55 117.16 118.38 2aiq n TYR 234 Ca -0.02 -0.25 -0.09 0.00 -0.01 0.00 0.00 57.90 57.54 2aiq n TYR 234 Cb 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 2aiq n TYR 234 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2aiq h THR 235 N 4.22 0.49 -0.40 -0.72 2.02 -1.36 0.81 112.91 117.98 2aiq h THR 235 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2aiq h THR 235 Cb 0.93 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2aiq h THR 235 CO 0.00 0.00 -0.11 0.44 0.37 0.00 0.00 175.52 176.22 2aiq h ASP 236 N -0.21 0.69 -0.15 4.18 3.32 -1.84 0.45 116.42 122.86 2aiq h ASP 236 Ca 0.12 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2aiq h ASP 236 Cb 0.39 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2aiq h ASP 236 CO -0.32 0.83 0.05 -0.25 -1.72 0.00 0.00 179.24 177.83 2aiq h TRP 237 N 0.64 0.23 -0.12 4.55 7.01 -1.69 0.14 115.95 126.72 2aiq h TRP 237 Ca 0.11 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.11 2aiq h TRP 237 Cb 0.56 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2aiq h TRP 237 CO 0.03 0.34 -0.01 0.82 -2.79 0.00 0.00 178.44 176.82 2aiq h ILE 238 N 0.06 0.91 -0.77 2.65 2.04 -0.50 -0.62 117.51 121.28 2aiq h ILE 238 Ca 0.05 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 2aiq h ILE 238 Cb 0.21 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2aiq h ILE 238 CO -0.00 0.00 0.30 1.56 0.00 0.00 0.00 178.15 180.01 2aiq h GLN 239 N 0.02 1.16 -0.55 2.37 4.20 -0.78 -1.44 115.11 120.08 2aiq h GLN 239 Ca 0.05 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 2aiq h GLN 239 Cb 0.07 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2aiq h GLN 239 CO -0.10 0.94 0.19 1.03 -0.67 0.00 0.00 178.83 180.21 2aiq h SER 240 N 1.13 0.79 -0.12 1.46 0.87 -0.31 0.07 113.55 117.44 2aiq h SER 240 Ca 0.26 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2aiq h SER 240 Cb 0.22 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2aiq h SER 240 CO -0.02 0.78 0.04 0.40 -0.53 0.00 0.00 176.83 177.50 2aiq h ILE 241 N 0.76 1.16 -0.02 2.23 2.04 -0.75 0.65 117.51 123.59 2aiq h ILE 241 Ca 0.18 -0.48 -0.21 0.00 1.00 0.00 0.00 64.86 65.35 2aiq h ILE 241 Cb 0.26 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2aiq h ILE 241 CO -0.01 0.14 -0.86 0.40 0.00 0.00 0.00 178.15 177.82 2aiq h ILE 242 N 0.02 1.42 -0.02 -0.67 2.04 -1.18 -2.75 117.51 116.36 2aiq h ILE 242 Ca 0.04 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.50 2aiq h ILE 242 Cb 0.19 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2aiq h ILE 242 CO -0.00 0.71 0.00 -1.54 0.00 0.00 0.00 178.15 177.32 2aiq n SER 243 N -3.75 0.58 0.00 1.72 3.41 0.00 -4.72 113.62 110.86 2aiq n SER 243 Ca -0.05 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2aiq n SER 243 Cb 0.79 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2aiq n SER 243 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aiq n GLY 244 N 1.02 0.19 1.48 5.00 0.00 -1.15 -5.05 105.19 106.69 2aiq n GLY 244 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2aiq n GLY 244 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aiq n ASN 245 N 0.00 -3.39 -3.04 1.61 0.23 0.23 -4.99 115.26 105.90 2aiq n ASN 245 Ca 0.00 0.49 -0.11 0.00 -0.53 0.00 0.00 54.58 54.42 2aiq n ASN 245 Cb 0.00 -0.77 0.10 0.00 -2.08 0.00 0.00 39.78 37.03 2aiq n ASN 245 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2aiq n THR 245 N 1.77 0.00 -1.61 5.53 -2.24 -1.26 -4.84 114.28 111.63 2aiq n THR 245 Ca 0.00 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 2aiq n THR 245 Cb 0.00 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 2aiq n THR 245 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2aiq n ASP 245 N -3.97 3.48 -4.61 3.42 3.85 -1.26 -4.87 116.55 112.58 2aiq n ASP 245 Ca 0.05 -2.79 -0.41 0.00 -0.71 0.00 0.00 54.79 50.93 2aiq n ASP 245 Cb 0.22 -1.49 0.01 0.00 -1.35 0.00 0.00 41.12 38.51 2aiq n ASP 245 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aiq n ALA 245 N 7.00 0.24 -2.61 2.12 0.00 -1.26 -5.00 120.51 121.00 2aiq n ALA 245 Ca 0.51 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.83 2aiq n ALA 245 Cb 0.40 -2.09 -0.12 0.00 0.00 0.00 0.00 19.45 17.64 2aiq n ALA 245 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aiq s THR 245 N -1.29 3.47 0.00 0.00 2.01 -1.26 -4.98 115.64 113.59 2aiq s THR 245 Ca 0.64 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2aiq s THR 245 Cb -0.54 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2aiq s THR 245 CO 0.56 0.58 0.00 0.00 -0.69 0.00 0.00 174.62 175.08