#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qil s THR 2 N 0.00 0.67 0.59 0.44 -4.23 -1.26 -3.95 115.64 107.90 1qil s THR 2 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1qil s THR 2 Cb 0.00 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1qil s THR 2 CO 0.00 -0.19 0.95 0.20 -0.54 0.00 0.00 174.62 175.03 1qil s ASN 3 N -3.27 6.05 0.58 3.99 -0.87 -1.26 -4.91 114.94 115.25 1qil s ASN 3 Ca 0.32 1.14 0.32 0.00 -1.57 0.00 0.00 52.86 53.07 1qil s ASN 3 Cb 0.07 -2.23 1.81 0.00 -0.02 0.00 0.00 41.25 40.89 1qil s ASN 3 CO 0.10 -0.87 2.22 0.44 -2.57 0.00 0.00 177.10 176.41 1qil h ASP 4 N -0.19 0.00 -0.10 -1.22 5.19 -2.01 0.13 116.42 118.22 1qil h ASP 4 Ca -0.45 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.89 1qil h ASP 4 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1qil h ASP 4 CO 0.62 0.03 -0.20 -1.13 -3.12 0.00 0.00 179.24 175.44 1qil h ASN 5 N 0.00 0.35 -0.32 6.45 -1.24 -1.99 -2.07 115.58 116.77 1qil h ASN 5 Ca -0.00 -0.56 -0.02 0.00 0.71 0.00 0.00 56.30 56.43 1qil h ASN 5 Cb 0.11 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1qil h ASN 5 CO 0.00 0.84 0.13 0.40 -1.29 0.00 0.00 177.43 177.52 1qil h ILE 6 N -0.13 1.16 -0.22 2.57 1.08 -1.64 -1.89 117.51 118.44 1qil h ILE 6 Ca 0.00 -0.51 -0.11 0.00 -0.39 0.00 0.00 64.86 63.85 1qil h ILE 6 Cb 0.78 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1qil h ILE 6 CO 0.04 0.19 -0.33 0.11 -0.69 0.00 0.00 178.15 177.48 1qil h LYS 7 N 0.54 0.46 -0.50 2.37 1.57 -0.92 -1.82 116.57 118.27 1qil h LYS 7 Ca 0.13 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1qil h LYS 7 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1qil h LYS 7 CO -0.01 0.74 -0.15 -0.44 -0.57 0.00 0.00 179.45 179.02 1qil h ASP 8 N 0.40 0.98 0.01 0.86 3.32 -0.73 -2.60 116.42 118.65 1qil h ASP 8 Ca 0.05 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 1qil h ASP 8 Cb 0.77 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1qil h ASP 8 CO 0.06 1.11 -0.29 -0.07 -1.72 0.00 0.00 179.24 178.33 1qil h LEU 9 N 0.85 0.44 -0.04 1.55 3.38 -1.07 -1.74 115.31 118.69 1qil h LEU 9 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1qil h LEU 9 Cb 0.71 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1qil h LEU 9 CO 0.05 0.72 0.00 0.25 0.09 0.00 0.00 178.44 179.56 1qil h LEU 10 N 0.38 0.07 -0.65 1.67 6.46 -1.23 -0.99 115.31 121.01 1qil h LEU 10 Ca 0.05 -0.28 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 1qil h LEU 10 Cb 0.71 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1qil h LEU 10 CO 0.05 0.34 0.39 0.44 -0.62 0.00 0.00 178.44 179.04 1qil h ASP 11 N -0.20 0.63 0.17 1.25 5.19 -1.33 -2.32 116.42 119.81 1qil h ASP 11 Ca 0.01 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1qil h ASP 11 Cb 0.30 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1qil h ASP 11 CO 0.00 0.43 -0.08 -0.25 -3.12 0.00 0.00 179.24 176.22 1qil h TRP 12 N 0.76 -0.21 0.00 4.55 2.91 -1.16 -3.11 115.95 119.68 1qil h TRP 12 Ca 0.27 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1qil h TRP 12 Cb 0.07 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1qil h TRP 12 CO -0.06 0.05 0.00 0.66 -1.03 0.00 0.00 178.44 178.07 1qil n TYR 13 N -5.08 0.00 0.34 2.65 4.01 -0.39 -3.19 117.16 115.50 1qil n TYR 13 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.69 1qil n TYR 13 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1qil n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1qil n SER 14 N -0.97 1.12 -0.96 7.72 3.41 -0.88 -4.41 113.62 118.64 1qil n SER 14 Ca 0.23 -1.06 0.01 0.00 -0.26 0.00 0.00 58.87 57.78 1qil n SER 14 Cb 0.10 0.42 0.10 0.00 -0.26 0.00 0.00 64.21 64.58 1qil n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qil n SER 15 N -0.22 2.47 -0.72 4.04 3.41 -1.18 -5.04 113.62 116.38 1qil n SER 15 Ca 0.03 -2.29 0.01 0.00 -0.26 0.00 0.00 58.87 56.36 1qil n SER 15 Cb 0.16 -0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1qil n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qil n GLY 16 N 0.15 -1.32 3.51 5.00 0.00 -1.26 -5.01 105.19 106.27 1qil n GLY 16 Ca 0.09 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1qil n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qil s SER 17 N -4.09 0.07 -0.19 1.61 1.04 -1.26 -4.92 113.70 105.96 1qil s SER 17 Ca 0.00 -1.08 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 1qil s SER 17 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1qil s SER 17 CO 0.00 -1.12 0.03 -1.81 0.98 0.00 0.00 173.24 171.32 1qil s ASP 18 N -3.07 5.24 -0.09 7.02 1.01 0.97 -4.96 116.67 122.80 1qil s ASP 18 Ca 0.26 -0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.50 1qil s ASP 18 Cb 0.01 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 1qil s ASP 18 CO 0.11 0.12 -0.20 -0.89 0.21 0.00 0.00 175.17 174.53 1qil s THR 19 N 0.66 2.50 -0.17 -1.27 2.01 -1.26 -0.47 115.64 117.64 1qil s THR 19 Ca 0.01 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1qil s THR 19 Cb -0.14 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.46 1qil s THR 19 CO 0.02 0.56 0.40 -0.36 -0.69 0.00 0.00 174.62 174.55 1qil s PHE 20 N -0.00 -0.58 0.06 4.92 0.08 -0.18 -4.99 117.98 117.28 1qil s PHE 20 Ca -0.07 1.26 0.09 0.00 0.12 0.00 0.00 56.93 58.33 1qil s PHE 20 Cb -0.15 0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1qil s PHE 20 CO 0.05 -0.33 -0.23 0.95 -0.10 0.00 0.00 175.22 175.56 1qil s THR 21 N 1.35 2.45 -1.19 0.64 -4.23 -1.26 -0.50 115.64 112.90 1qil s THR 21 Ca -0.09 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1qil s THR 21 Cb -0.08 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1qil s THR 21 CO -0.12 0.29 0.45 -3.20 -0.54 0.00 0.00 174.62 171.50 1qil n ASN 22 N 1.48 -5.03 -4.88 3.99 5.15 -1.04 -4.74 115.26 110.19 1qil n ASN 22 Ca -0.17 -0.21 -0.29 0.00 -0.60 0.00 0.00 54.58 53.31 1qil n ASN 22 Cb 0.52 -3.89 0.08 0.00 -0.53 0.00 0.00 39.78 35.96 1qil n ASN 22 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1qil s SER 23 N -2.77 4.79 -0.04 1.20 0.01 -0.35 -4.68 113.70 111.86 1qil s SER 23 Ca 0.22 0.96 0.07 0.00 1.31 0.00 0.00 55.95 58.51 1qil s SER 23 Cb -0.10 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 1qil s SER 23 CO 0.28 -1.74 -0.24 -0.70 0.41 0.00 0.00 173.24 171.24 1qil s GLU 24 N -5.45 2.36 0.15 12.44 2.12 0.31 -0.89 118.70 129.73 1qil s GLU 24 Ca 0.61 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 1qil s GLU 24 Cb -0.11 -2.13 -0.07 0.00 0.26 0.00 0.00 34.13 32.07 1qil s GLU 24 CO 0.51 0.48 1.13 0.08 -0.54 0.00 0.00 175.26 176.91 1qil s VAL 25 N -0.41 3.91 -0.08 3.70 1.01 0.90 -0.54 120.40 128.89 1qil s VAL 25 Ca 0.04 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.64 1qil s VAL 25 Cb -0.12 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1qil s VAL 25 CO 0.01 0.23 -0.00 0.18 0.00 0.00 0.00 175.10 175.52 1qil n LEU 26 N 2.77 0.73 -3.54 3.92 4.32 -0.01 -1.66 117.00 123.52 1qil n LEU 26 Ca 0.04 -0.01 -0.16 0.00 -0.02 0.00 0.00 56.01 55.86 1qil n LEU 26 Cb 0.46 0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1qil n LEU 26 CO 0.54 0.31 0.50 -0.62 -1.22 0.00 0.00 177.39 176.90 1qil s ASP 27 N -4.23 -0.62 -0.25 -1.43 2.15 -0.86 -4.85 116.67 106.59 1qil s ASP 27 Ca -0.06 0.75 -0.03 0.00 0.43 0.00 0.00 52.55 53.64 1qil s ASP 27 Cb 0.03 0.61 0.10 0.00 -0.30 0.00 0.00 42.92 43.36 1qil s ASP 27 CO 0.30 -0.52 0.19 0.21 -0.17 0.00 0.00 175.17 175.18 1qil s ASN 28 N -0.97 2.33 0.52 -0.34 3.84 -1.26 -1.69 114.94 117.36 1qil s ASN 28 Ca -0.08 -0.77 0.06 0.00 0.21 0.00 0.00 52.86 52.27 1qil s ASN 28 Cb -0.01 0.07 0.03 0.00 -0.55 0.00 0.00 41.25 40.79 1qil s ASN 28 CO 0.07 -0.38 0.38 -0.44 -2.79 0.00 0.00 177.10 173.94 1qil s SER 29 N 2.23 4.65 0.06 -4.21 0.01 -1.09 -5.04 113.70 110.30 1qil s SER 29 Ca 0.07 -1.19 -0.31 0.00 1.31 0.00 0.00 55.95 55.83 1qil s SER 29 Cb -0.15 0.26 -0.07 0.00 0.21 0.00 0.00 66.02 66.27 1qil s SER 29 CO -0.25 -1.02 1.48 -0.22 0.41 0.00 0.00 173.24 173.64 1qil s LEU 30 N -4.23 4.35 0.00 2.44 2.96 -1.26 -2.78 118.68 120.15 1qil s LEU 30 Ca 0.35 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 1qil s LEU 30 Cb -0.02 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1qil s LEU 30 CO 0.22 -0.76 0.00 0.61 -1.32 0.00 0.00 176.35 175.10 1qil n GLY 31 N 3.71 0.43 3.74 7.98 0.00 -1.26 -4.99 105.19 114.80 1qil n GLY 31 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 1qil n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qil s SER 32 N -2.06 -0.27 -0.11 1.61 1.04 -1.12 -0.97 113.70 111.83 1qil s SER 32 Ca 0.00 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 55.88 1qil s SER 32 Cb 0.00 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1qil s SER 32 CO 0.00 -1.07 0.36 -0.04 0.98 0.00 0.00 173.24 173.48 1qil s MET 33 N -3.57 0.51 -0.22 4.02 -1.94 0.07 -2.66 119.30 115.50 1qil s MET 33 Ca 0.10 0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 54.40 1qil s MET 33 Cb -0.03 0.24 0.02 0.00 2.01 0.00 0.00 34.83 37.07 1qil s MET 33 CO 0.02 -0.09 -0.10 0.50 -0.01 0.00 0.00 175.02 175.34 1qil s ARG 34 N -0.21 2.97 0.07 2.03 3.52 -0.68 -1.36 118.95 125.28 1qil s ARG 34 Ca -0.04 -0.88 0.08 0.00 -0.13 0.00 0.00 55.73 54.77 1qil s ARG 34 Cb -0.03 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1qil s ARG 34 CO 0.02 -0.31 -0.21 0.42 -0.81 0.00 0.00 175.30 174.40 1qil s ILE 35 N 1.34 1.75 -0.19 4.11 1.01 0.05 -0.83 121.20 128.43 1qil s ILE 35 Ca 0.02 -1.39 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 1qil s ILE 35 Cb -0.15 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 1qil s ILE 35 CO -0.07 0.09 -0.04 -0.75 0.00 0.00 0.00 174.94 174.18 1qil s LYS 36 N -1.54 3.50 0.45 2.79 2.20 0.30 -0.18 119.74 127.26 1qil s LYS 36 Ca 0.08 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1qil s LYS 36 Cb -0.09 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1qil s LYS 36 CO 0.03 -0.01 0.72 -0.80 -0.36 0.00 0.00 175.35 174.93 1qil s ASN 37 N 1.00 6.16 0.56 1.43 0.02 -0.11 -0.53 114.94 123.47 1qil s ASN 37 Ca 0.01 0.70 0.33 0.00 -1.02 0.00 0.00 52.86 52.88 1qil s ASN 37 Cb -0.15 -2.06 1.63 0.00 0.02 0.00 0.00 41.25 40.70 1qil s ASN 37 CO 0.01 -0.56 2.10 0.71 0.02 0.00 0.00 177.10 179.38 1qil h THR 38 N 0.35 0.26 -0.00 1.60 1.35 -1.85 -0.40 112.91 114.22 1qil h THR 38 Ca -0.47 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1qil h THR 38 Cb 1.22 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1qil h THR 38 CO 0.61 0.06 -0.09 -0.90 -0.25 0.00 0.00 175.52 174.95 1qil n ASP 39 N -3.33 0.39 0.00 5.36 5.68 -1.26 -4.92 116.55 118.47 1qil n ASP 39 Ca -0.01 -0.52 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 1qil n ASP 39 Cb 0.23 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1qil n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qil n GLY 40 N 1.27 0.82 3.82 6.12 0.00 -0.16 -5.10 105.19 111.98 1qil n GLY 40 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1qil n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qil s SER 41 N -1.86 4.72 0.01 1.61 1.04 -1.26 -4.77 113.70 113.20 1qil s SER 41 Ca 0.00 1.26 0.04 0.00 0.48 0.00 0.00 55.95 57.73 1qil s SER 41 Cb 0.00 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.08 1qil s SER 41 CO 0.00 -1.82 -0.07 -0.63 0.98 0.00 0.00 173.24 171.70 1qil s ILE 42 N -3.21 3.65 -0.10 -1.02 -1.09 -0.11 -0.93 121.20 118.38 1qil s ILE 42 Ca 0.60 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1qil s ILE 42 Cb -0.14 -2.60 0.01 0.00 -1.58 0.00 0.00 42.46 38.15 1qil s ILE 42 CO 0.54 0.36 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.97 1qil s SER 43 N -1.51 2.76 -0.27 3.58 0.01 0.75 -1.24 113.70 117.78 1qil s SER 43 Ca 0.18 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 1qil s SER 43 Cb -0.11 -1.26 0.02 0.00 0.21 0.00 0.00 66.02 64.87 1qil s SER 43 CO 0.08 0.10 0.01 -0.22 0.41 0.00 0.00 173.24 173.62 1qil s LEU 44 N 0.57 3.49 -0.03 2.44 0.20 -0.55 -0.77 118.68 124.03 1qil s LEU 44 Ca -0.14 -0.76 0.06 0.00 0.69 0.00 0.00 54.13 53.97 1qil s LEU 44 Cb -0.17 -1.77 -0.01 0.00 -0.43 0.00 0.00 46.19 43.81 1qil s LEU 44 CO 0.05 -0.15 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.10 1qil s ILE 45 N 1.42 1.78 -0.01 6.68 1.01 -0.46 -1.24 121.20 130.37 1qil s ILE 45 Ca 0.02 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1qil s ILE 45 Cb -0.17 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1qil s ILE 45 CO -0.01 0.50 -0.04 0.27 0.00 0.00 0.00 174.94 175.66 1qil s ILE 46 N -0.38 3.83 -0.29 2.92 -4.36 -1.10 -0.75 121.20 121.06 1qil s ILE 46 Ca 0.05 -0.68 -0.00 0.00 -0.26 0.00 0.00 60.65 59.75 1qil s ILE 46 Cb -0.10 -2.67 0.09 0.00 1.25 0.00 0.00 42.46 41.03 1qil s ILE 46 CO 0.00 0.41 0.07 -0.36 0.24 0.00 0.00 174.94 175.30 1qil s PHE 47 N -1.01 1.99 -1.73 1.37 0.40 -0.15 -1.78 117.98 117.07 1qil s PHE 47 Ca 0.17 -1.81 0.29 0.00 -0.60 0.00 0.00 56.93 54.98 1qil s PHE 47 Cb -0.11 -1.78 1.29 0.00 0.51 0.00 0.00 43.02 42.93 1qil s PHE 47 CO 0.08 -0.85 1.89 -0.35 0.70 0.00 0.00 175.22 176.70 1qil n PRO 48 N 4.77 0.77 -3.86 0.24 -0.04 -1.26 -4.19 135.00 131.44 1qil n PRO 48 Ca -0.03 -0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 62.83 1qil n PRO 48 Cb 0.43 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1qil n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qil s SER 49 N -2.40 5.99 0.50 3.54 0.15 -1.26 -4.70 113.70 115.52 1qil s SER 49 Ca 0.31 0.19 0.31 0.00 0.70 0.00 0.00 55.95 57.47 1qil s SER 49 Cb 0.20 -2.03 1.21 0.00 -1.71 0.00 0.00 66.02 63.69 1qil s SER 49 CO 0.45 0.20 1.91 1.55 1.20 0.00 0.00 173.24 178.56 1qil h PRO 50 N 6.51 0.00 0.00 5.44 0.13 -1.88 -2.89 132.00 139.31 1qil h PRO 50 Ca -0.41 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1qil h PRO 50 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1qil h PRO 50 CO 0.72 0.00 -0.23 1.88 -0.23 0.00 0.00 178.00 180.15 1qil h TYR 51 N 0.00 0.00 -2.43 1.56 0.05 -1.90 -3.37 116.97 110.87 1qil h TYR 51 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 1qil h TYR 51 Cb 0.55 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.90 1qil h TYR 51 CO 0.00 0.23 -0.90 0.98 -1.05 0.00 0.00 178.16 177.42 1qil n TYR 52 N -3.22 0.28 -3.75 4.88 9.36 -1.09 -3.97 117.16 119.65 1qil n TYR 52 Ca 0.02 -3.60 -0.36 0.00 3.32 0.00 0.00 57.90 57.28 1qil n TYR 52 Cb 0.55 -0.07 -0.10 0.00 -0.63 0.00 0.00 39.34 39.09 1qil n TYR 52 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1qil s SER 53 N -0.62 5.18 0.13 2.98 0.15 -1.24 -4.49 113.70 115.81 1qil s SER 53 Ca 0.32 -2.64 -0.35 0.00 0.70 0.00 0.00 55.95 53.98 1qil s SER 53 Cb 0.05 -1.83 -0.15 0.00 -1.71 0.00 0.00 66.02 62.38 1qil s SER 53 CO -0.17 -0.41 1.39 -0.81 1.20 0.00 0.00 173.24 174.45 1qil n PRO 54 N 3.76 1.53 -0.50 5.44 -0.04 -1.26 -4.90 135.00 139.02 1qil n PRO 54 Ca 0.05 0.55 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1qil n PRO 54 Cb 0.38 -2.21 0.32 0.00 -0.04 0.00 0.00 33.50 31.96 1qil n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qil n ALA 55 N 2.58 2.81 -1.77 0.55 0.00 -1.26 -5.00 120.51 118.42 1qil n ALA 55 Ca 0.17 -1.53 -0.41 0.00 0.00 0.00 0.00 53.44 51.67 1qil n ALA 55 Cb 0.24 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1qil n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qil s PHE 56 N -1.62 2.65 0.21 0.00 0.08 -1.26 -5.01 117.98 113.04 1qil s PHE 56 Ca 0.47 1.02 0.05 0.00 0.12 0.00 0.00 56.93 58.58 1qil s PHE 56 Cb 0.29 -4.04 -0.03 0.00 -0.57 0.00 0.00 43.02 38.67 1qil s PHE 56 CO 0.25 -3.22 0.32 0.95 -0.10 0.00 0.00 175.22 173.41 1qil s THR 57 N -0.68 5.17 0.20 0.64 -4.23 -1.26 -4.76 115.64 110.72 1qil s THR 57 Ca 0.57 -0.95 -0.32 0.00 -1.18 0.00 0.00 61.69 59.81 1qil s THR 57 Cb -0.47 -3.77 -0.15 0.00 1.34 0.00 0.00 72.50 69.45 1qil s THR 57 CO 0.57 -0.26 1.14 1.17 -0.54 0.00 0.00 174.62 176.70 1qil n LYS 58 N -1.12 1.23 0.00 3.99 4.81 -1.26 -1.76 118.16 124.05 1qil n LYS 58 Ca -0.08 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1qil n LYS 58 Cb 0.56 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1qil n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qil n GLY 59 N 1.89 2.65 3.77 3.14 0.00 -0.66 -4.98 105.19 111.00 1qil n GLY 59 Ca 0.14 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1qil n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qil s GLU 60 N 0.00 2.69 -0.09 1.61 2.02 -0.72 -4.65 118.70 119.55 1qil s GLU 60 Ca 0.00 1.36 -0.04 0.00 0.02 0.00 0.00 54.97 56.31 1qil s GLU 60 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1qil s GLU 60 CO 0.00 -1.33 0.08 0.15 0.02 0.00 0.00 175.26 174.18 1qil s LYS 61 N -4.22 3.22 0.13 1.61 -0.14 -1.26 -0.07 119.74 119.02 1qil s LYS 61 Ca 0.66 -0.27 -0.04 0.00 -1.36 0.00 0.00 55.97 54.96 1qil s LYS 61 Cb -0.20 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 32.92 1qil s LYS 61 CO 0.44 0.74 0.13 0.14 -0.76 0.00 0.00 175.35 176.04 1qil s VAL 62 N -0.99 0.10 0.11 3.17 -7.23 -0.07 -4.47 120.40 111.02 1qil s VAL 62 Ca 0.15 -1.69 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1qil s VAL 62 Cb -0.12 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1qil s VAL 62 CO 0.04 -0.46 0.03 -1.81 -0.31 0.00 0.00 175.10 172.59 1qil s ASP 63 N -3.00 5.11 -0.10 4.85 1.01 -0.17 -1.21 116.67 123.16 1qil s ASP 63 Ca 0.20 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1qil s ASP 63 Cb 0.06 -1.23 0.02 0.00 1.01 0.00 0.00 42.92 42.77 1qil s ASP 63 CO -0.00 0.15 -0.12 -0.76 0.21 0.00 0.00 175.17 174.64 1qil s LEU 64 N -2.53 1.56 -0.37 1.23 1.02 0.34 -2.19 118.68 117.74 1qil s LEU 64 Ca 0.27 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.08 1qil s LEU 64 Cb -0.11 -0.95 0.15 0.00 0.02 0.00 0.00 46.19 45.30 1qil s LEU 64 CO 0.19 -0.02 0.25 0.20 0.02 0.00 0.00 176.35 176.99 1qil s ASN 65 N 1.09 2.63 0.24 2.29 0.01 -0.94 -1.01 114.94 119.25 1qil s ASN 65 Ca -0.06 -2.44 0.01 0.00 -0.71 0.00 0.00 52.86 49.66 1qil s ASN 65 Cb -0.14 -0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 1qil s ASN 65 CO -0.02 -0.27 0.13 0.28 -1.51 0.00 0.00 177.10 175.70 1qil s THR 66 N 0.77 0.23 -0.04 1.60 -1.32 0.38 -4.39 115.64 112.86 1qil s THR 66 Ca 0.22 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.72 1qil s THR 66 Cb -0.16 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 68.25 1qil s THR 66 CO -0.04 0.00 -0.08 -0.54 -2.21 0.00 0.00 174.62 171.75 1qil s LYS 67 N -4.06 2.66 0.20 7.08 -0.14 -1.26 -0.02 119.74 124.21 1qil s LYS 67 Ca 0.38 -0.62 -0.23 0.00 -1.36 0.00 0.00 55.97 54.14 1qil s LYS 67 Cb 0.07 -2.54 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 1qil s LYS 67 CO 0.14 0.64 0.77 -0.98 -0.76 0.00 0.00 175.35 175.16 1qil s ARG 68 N -0.98 4.44 0.06 1.68 1.70 -1.26 -1.20 118.95 123.38 1qil s ARG 68 Ca 0.14 1.06 0.24 0.00 -0.47 0.00 0.00 55.73 56.70 1qil s ARG 68 Cb -0.11 -3.06 0.39 0.00 -0.57 0.00 0.00 34.95 31.61 1qil s ARG 68 CO 0.03 0.47 1.34 0.25 -1.08 0.00 0.00 175.30 176.31 1qil n THR 69 N 1.14 0.17 -3.83 4.99 -2.24 0.67 -4.90 114.28 110.28 1qil n THR 69 Ca -0.04 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1qil n THR 69 Cb 0.50 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1qil n THR 69 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1qil s LYS 70 N -3.09 0.88 0.36 -0.78 -2.85 -1.25 -5.08 119.74 107.93 1qil s LYS 70 Ca 0.08 -0.54 -0.28 0.00 -1.00 0.00 0.00 55.97 54.23 1qil s LYS 70 Cb 0.15 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 36.09 1qil s LYS 70 CO 0.72 -0.41 1.36 0.21 0.10 0.00 0.00 175.35 177.33 1qil s LYS 71 N -2.39 4.18 0.42 1.78 2.20 -1.26 -4.48 119.74 120.19 1qil s LYS 71 Ca 0.20 2.31 -0.25 0.00 -0.36 0.00 0.00 55.97 57.88 1qil s LYS 71 Cb -0.00 -2.96 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1qil s LYS 71 CO 0.01 -0.37 1.22 -1.12 -0.36 0.00 0.00 175.35 174.74 1qil s SER 72 N -0.44 6.30 0.23 1.43 0.01 -1.26 -4.79 113.70 115.18 1qil s SER 72 Ca 0.52 2.47 0.09 0.00 1.31 0.00 0.00 55.95 60.34 1qil s SER 72 Cb -0.41 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.15 1qil s SER 72 CO 0.55 -0.84 -0.03 -1.10 0.41 0.00 0.00 173.24 172.23 1qil s GLN 73 N -2.39 2.23 -0.23 12.44 -0.21 -0.83 -4.95 119.66 125.72 1qil s GLN 73 Ca 0.59 -1.33 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 1qil s GLN 73 Cb -0.33 -2.18 0.01 0.00 1.00 0.00 0.00 33.01 31.50 1qil s GLN 73 CO 0.42 0.40 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.93 1qil s HIS 74 N -2.05 3.00 0.70 0.91 3.76 -1.26 -1.21 115.29 119.14 1qil s HIS 74 Ca 0.29 -1.22 -0.10 0.00 -0.15 0.00 0.00 55.06 53.88 1qil s HIS 74 Cb -0.08 -2.09 0.03 0.00 1.11 0.00 0.00 32.58 31.55 1qil s HIS 74 CO 0.18 -0.64 1.06 0.95 -0.85 0.00 0.00 174.74 175.45 1qil s THR 75 N 1.41 3.16 0.52 1.30 -4.23 0.47 -4.94 115.64 113.33 1qil s THR 75 Ca 0.03 0.23 0.26 0.00 -1.18 0.00 0.00 61.69 61.04 1qil s THR 75 Cb -0.15 -3.35 0.31 0.00 1.34 0.00 0.00 72.50 70.65 1qil s THR 75 CO -0.04 -0.43 2.17 0.28 -0.54 0.00 0.00 174.62 176.06 1qil h SER 76 N -0.62 0.00 0.46 3.99 0.02 -1.99 -0.52 113.55 114.89 1qil h SER 76 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1qil h SER 76 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1qil h SER 76 CO 0.63 0.05 0.00 -0.62 -1.14 0.00 0.00 176.83 175.75 1qil n GLU 77 N -3.92 0.37 -0.39 3.45 4.71 -1.26 -4.87 120.64 118.72 1qil n GLU 77 Ca -0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1qil n GLU 77 Cb 0.14 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 1qil n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qil n GLY 78 N 0.86 0.70 3.77 0.62 0.00 -0.20 -5.05 105.19 105.88 1qil n GLY 78 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1qil n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qil s THR 79 N -2.77 4.43 -0.29 2.61 -4.23 -1.26 -4.78 115.64 109.37 1qil s THR 79 Ca 0.00 1.73 -0.14 0.00 -1.18 0.00 0.00 61.69 62.10 1qil s THR 79 Cb 0.00 -4.15 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 1qil s THR 79 CO 0.00 0.48 0.34 -0.47 -0.54 0.00 0.00 174.62 174.42 1qil s TYR 80 N -0.86 3.23 -0.05 3.99 6.14 -1.26 -0.40 117.35 128.14 1qil s TYR 80 Ca 0.37 0.27 0.03 0.00 0.64 0.00 0.00 57.07 58.38 1qil s TYR 80 Cb -0.23 -2.56 -0.03 0.00 0.42 0.00 0.00 41.96 39.57 1qil s TYR 80 CO 0.26 -0.26 -0.11 0.42 0.64 0.00 0.00 175.55 176.50 1qil s ILE 81 N 2.00 3.33 0.07 3.14 -1.09 -0.35 -0.94 121.20 127.36 1qil s ILE 81 Ca 0.13 -0.65 0.07 0.00 -2.23 0.00 0.00 60.65 57.96 1qil s ILE 81 Cb -0.16 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1qil s ILE 81 CO 0.11 0.57 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.24 1qil s HIS 82 N -0.79 2.65 -0.26 3.97 3.76 -0.37 -1.96 115.29 122.30 1qil s HIS 82 Ca 0.12 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 54.86 1qil s HIS 82 Cb -0.11 -1.45 0.06 0.00 1.11 0.00 0.00 32.58 32.19 1qil s HIS 82 CO 0.01 0.34 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.07 1qil s PHE 83 N -1.05 3.24 0.37 1.40 0.08 -1.26 -1.48 117.98 119.27 1qil s PHE 83 Ca 0.17 -2.27 0.04 0.00 0.12 0.00 0.00 56.93 54.99 1qil s PHE 83 Cb -0.11 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 1qil s PHE 83 CO 0.09 -0.87 0.06 -0.65 -0.10 0.00 0.00 175.22 173.75 1qil s GLN 84 N 1.12 1.79 -0.08 0.44 -0.21 -0.38 -0.24 119.66 122.11 1qil s GLN 84 Ca -0.08 -2.04 -0.00 0.00 0.02 0.00 0.00 55.36 53.26 1qil s GLN 84 Cb -0.20 -0.95 0.03 0.00 1.00 0.00 0.00 33.01 32.89 1qil s GLN 84 CO -0.05 -0.25 -0.03 -1.50 -2.12 0.00 0.00 175.29 171.33 1qil s ILE 85 N -3.18 0.61 0.00 1.08 2.07 -0.34 -2.72 121.20 118.72 1qil s ILE 85 Ca 0.31 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1qil s ILE 85 Cb 0.07 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1qil s ILE 85 CO 0.14 0.29 0.00 -0.24 -1.91 0.00 0.00 174.94 173.22 1qil n SER 86 N 4.81 -4.52 -0.67 4.50 2.88 -0.73 -4.06 113.62 115.82 1qil n SER 86 Ca -0.13 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.38 1qil n SER 86 Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 1qil n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qil n GLY 87 N 0.00 0.60 3.30 0.46 0.00 -1.26 -4.68 105.19 103.61 1qil n GLY 87 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1qil n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qil s VAL 88 N -2.72 3.11 0.30 1.61 1.01 -1.26 -2.20 120.40 120.23 1qil s VAL 88 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1qil s VAL 88 Cb -0.02 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1qil s VAL 88 CO 0.06 0.47 0.10 0.42 0.00 0.00 0.00 175.10 176.15 1qil s THR 89 N 1.11 0.68 1.03 3.92 -4.23 -0.93 -4.92 115.64 112.30 1qil s THR 89 Ca 0.01 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.37 1qil s THR 89 Cb -0.15 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.27 1qil s THR 89 CO -0.02 0.00 1.13 0.54 -0.54 0.00 0.00 174.62 175.73 1qil s ASN 90 N -3.39 2.40 -0.01 3.99 2.20 -1.26 -0.99 114.94 117.87 1qil s ASN 90 Ca 0.36 0.86 0.18 0.00 -0.94 0.00 0.00 52.86 53.32 1qil s ASN 90 Cb 0.07 -1.31 0.54 0.00 -2.00 0.00 0.00 41.25 38.55 1qil s ASN 90 CO 0.15 -3.23 1.45 0.35 -2.94 0.00 0.00 177.10 172.87 1qil n THR 91 N -4.20 0.87 -1.98 0.54 -2.24 -1.26 -4.37 114.28 101.64 1qil n THR 91 Ca 0.09 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 1qil n THR 91 Cb 0.59 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 1qil n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qil s GLU 92 N -1.25 4.25 0.25 -0.78 2.02 -1.26 -4.98 118.70 116.95 1qil s GLU 92 Ca 0.41 2.36 0.08 0.00 0.02 0.00 0.00 54.97 57.83 1qil s GLU 92 Cb 0.22 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1qil s GLU 92 CO 0.27 -0.39 0.11 0.15 0.02 0.00 0.00 175.26 175.42 1qil s LYS 93 N -1.22 2.66 0.59 1.61 -0.14 -1.26 -1.58 119.74 120.40 1qil s LYS 93 Ca 0.55 -1.18 -0.09 0.00 -1.36 0.00 0.00 55.97 53.89 1qil s LYS 93 Cb -0.43 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1qil s LYS 93 CO 0.51 0.40 0.97 -0.51 -0.76 0.00 0.00 175.35 175.96 1qil s LEU 94 N -3.67 3.29 0.31 3.17 1.02 0.29 -4.52 118.68 118.58 1qil s LEU 94 Ca 0.32 1.24 0.01 0.00 0.02 0.00 0.00 54.13 55.71 1qil s LEU 94 Cb -0.08 -4.23 0.50 0.00 0.02 0.00 0.00 46.19 42.41 1qil s LEU 94 CO 0.23 -0.86 1.89 -0.65 0.02 0.00 0.00 176.35 176.98 1qil h PRO 95 N -0.21 0.78 -2.98 1.29 0.11 -2.00 -3.42 132.00 125.57 1qil h PRO 95 Ca -0.45 -0.12 -0.18 0.00 0.11 0.00 0.00 66.00 65.36 1qil h PRO 95 Cb 1.20 -0.14 -0.28 0.00 0.11 0.00 0.00 31.00 31.89 1qil h PRO 95 CO 0.62 0.66 -0.44 -0.08 -0.21 0.00 0.00 178.00 178.55 1qil s THR 96 N -5.33 -0.03 0.35 -1.15 -1.32 -1.26 -5.14 115.64 101.75 1qil s THR 96 Ca -0.09 0.11 -0.27 0.00 -1.21 0.00 0.00 61.69 60.22 1qil s THR 96 Cb 0.16 -0.41 -0.12 0.00 -1.51 0.00 0.00 72.50 70.62 1qil s THR 96 CO 0.78 0.04 1.22 -0.81 -2.21 0.00 0.00 174.62 173.65 1qil n PRO 97 N 3.93 1.93 -4.31 7.08 -0.04 -1.26 -4.92 135.00 137.40 1qil n PRO 97 Ca -0.22 0.68 -0.26 0.00 -0.04 0.00 0.00 63.50 63.65 1qil n PRO 97 Cb 0.54 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.68 1qil n PRO 97 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1qil s ILE 98 N -1.11 3.10 -0.16 0.52 -4.36 -0.18 -4.84 121.20 114.17 1qil s ILE 98 Ca 0.57 -1.73 -0.15 0.00 -0.26 0.00 0.00 60.65 59.08 1qil s ILE 98 Cb -0.58 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1qil s ILE 98 CO 0.61 -0.13 0.35 -0.70 0.24 0.00 0.00 174.94 175.30 1qil s GLU 99 N -2.88 4.27 -0.02 0.37 2.56 -1.26 0.04 118.70 121.77 1qil s GLU 99 Ca 0.25 0.18 -0.25 0.00 0.00 0.00 0.00 54.97 55.16 1qil s GLU 99 Cb -0.08 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.56 1qil s GLU 99 CO 0.15 0.18 0.76 -0.51 -0.56 0.00 0.00 175.26 175.28 1qil s LEU 100 N 0.61 4.36 -0.88 2.70 1.43 -1.26 -4.98 118.68 120.67 1qil s LEU 100 Ca 0.19 1.33 -0.25 0.00 -1.03 0.00 0.00 54.13 54.37 1qil s LEU 100 Cb -0.14 -3.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.83 1qil s LEU 100 CO 0.06 -0.10 2.01 -2.16 0.23 0.00 0.00 176.35 176.39 1qil s PRO 101 N 0.58 2.41 -0.14 1.29 0.04 -1.26 -4.96 135.00 132.96 1qil s PRO 101 Ca 0.40 -0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.25 1qil s PRO 101 Cb -0.19 -5.01 -0.03 0.00 0.04 0.00 0.00 34.50 29.31 1qil s PRO 101 CO 0.21 -3.52 -0.02 -1.17 0.04 0.00 0.00 177.00 172.54 1qil s LEU 102 N 10.76 3.40 -0.09 -3.56 2.96 -1.26 -0.48 118.68 130.42 1qil s LEU 102 Ca 0.73 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1qil s LEU 102 Cb -0.08 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1qil s LEU 102 CO 0.01 0.23 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.58 1qil s LYS 103 N 0.01 2.12 -0.09 1.98 1.02 0.23 -4.99 119.74 120.02 1qil s LYS 103 Ca 0.02 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1qil s LYS 103 Cb -0.13 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.41 1qil s LYS 103 CO 0.02 -0.01 -0.22 0.08 -0.92 0.00 0.00 175.35 174.30 1qil s VAL 104 N 0.83 2.23 -0.07 3.17 1.01 -1.26 -0.46 120.40 125.85 1qil s VAL 104 Ca -0.10 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1qil s VAL 104 Cb -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1qil s VAL 104 CO 0.01 0.56 -0.20 -0.54 0.00 0.00 0.00 175.10 174.94 1qil s LYS 105 N 0.17 2.28 -0.25 2.72 1.02 -0.26 -0.36 119.74 125.06 1qil s LYS 105 Ca -0.13 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.19 1qil s LYS 105 Cb -0.16 -1.85 0.06 0.00 -0.52 0.00 0.00 37.83 35.35 1qil s LYS 105 CO 0.07 0.20 -0.12 0.08 -0.92 0.00 0.00 175.35 174.66 1qil s VAL 106 N 0.23 2.16 -1.79 3.17 1.01 0.81 -1.20 120.40 124.79 1qil s VAL 106 Ca -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1qil s VAL 106 Cb -0.15 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1qil s VAL 106 CO 0.05 0.03 0.00 1.41 0.00 0.00 0.00 175.10 176.59 1qil n HIS 107 N 4.45 -0.92 0.00 5.22 8.25 -0.12 -2.09 115.22 130.00 1qil n HIS 107 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1qil n HIS 107 Cb 0.43 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 27.68 1qil n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qil n GLY 108 N -0.94 3.01 3.78 -1.41 0.00 -1.26 -5.05 105.19 103.33 1qil n GLY 108 Ca -0.24 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1qil n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qil s LYS 109 N 0.00 4.57 -0.38 1.61 2.36 -0.89 -4.98 119.74 122.02 1qil s LYS 109 Ca 0.00 1.32 -0.27 0.00 -2.55 0.00 0.00 55.97 54.46 1qil s LYS 109 Cb 0.00 -2.77 0.02 0.00 -1.05 0.00 0.00 37.83 34.03 1qil s LYS 109 CO 0.00 0.27 1.00 0.34 1.55 0.00 0.00 175.35 178.51 1qil s ASP 110 N -1.64 6.72 -0.26 1.43 -1.08 -1.26 -0.13 116.67 120.45 1qil s ASP 110 Ca 0.51 0.65 -0.18 0.00 -0.52 0.00 0.00 52.55 53.01 1qil s ASP 110 Cb -0.18 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 38.75 1qil s ASP 110 CO 0.23 -0.95 0.53 -0.55 0.52 0.00 0.00 175.17 174.96 1qil s SER 111 N 1.95 6.45 0.50 -0.34 0.15 0.52 -4.94 113.70 117.99 1qil s SER 111 Ca 0.42 0.55 -0.22 0.00 0.70 0.00 0.00 55.95 57.39 1qil s SER 111 Cb -0.11 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 61.85 1qil s SER 111 CO 0.21 -0.29 1.21 -2.84 1.20 0.00 0.00 173.24 172.73 1qil s PRO 112 N 2.32 3.52 0.37 5.44 0.02 -1.26 -4.30 135.00 141.11 1qil s PRO 112 Ca 0.22 1.88 -0.17 0.00 0.02 0.00 0.00 61.00 62.95 1qil s PRO 112 Cb -0.16 -2.31 -0.10 0.00 0.02 0.00 0.00 34.50 31.96 1qil s PRO 112 CO 0.09 -0.78 0.83 -0.51 -0.33 0.00 0.00 177.00 176.30 1qil s LEU 113 N -3.28 4.00 -0.04 -5.54 1.43 -1.26 -5.01 118.68 108.98 1qil s LEU 113 Ca 0.67 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 1qil s LEU 113 Cb -0.31 -4.27 0.03 0.00 0.03 0.00 0.00 46.19 41.67 1qil s LEU 113 CO 0.37 -0.28 0.08 -0.54 0.23 0.00 0.00 176.35 176.21 1qil s LYS 114 N -3.10 -0.00 -1.56 1.70 1.02 -1.26 -4.89 119.74 111.65 1qil s LYS 114 Ca 0.57 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.83 1qil s LYS 114 Cb -0.10 -0.27 0.01 0.00 -0.52 0.00 0.00 37.83 36.95 1qil s LYS 114 CO 0.16 -0.21 0.43 0.66 -0.92 0.00 0.00 175.35 175.48 1qil n TYR 115 N 4.46 -1.72 -2.77 3.18 4.01 -1.26 -4.95 117.16 118.12 1qil n TYR 115 Ca -0.22 0.38 -0.43 0.00 -0.16 0.00 0.00 57.90 57.47 1qil n TYR 115 Cb 0.50 -4.15 -0.03 0.00 -0.31 0.00 0.00 39.34 35.35 1qil n TYR 115 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1qil s TRP 116 N -3.10 3.01 1.02 -0.72 -0.00 -1.26 -5.02 118.94 112.86 1qil s TRP 116 Ca 0.23 0.70 -0.15 0.00 -0.00 0.00 0.00 56.10 56.88 1qil s TRP 116 Cb -0.11 -3.84 0.20 0.00 -0.00 0.00 0.00 33.47 29.73 1qil s TRP 116 CO 0.29 -0.95 1.16 -1.25 -0.00 0.00 0.00 176.95 176.20 1qil s PRO 117 N 3.69 0.27 0.18 5.86 0.04 -1.26 -5.02 135.00 138.76 1qil s PRO 117 Ca 0.40 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.56 1qil s PRO 117 Cb -0.11 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1qil s PRO 117 CO 0.22 -2.74 0.16 0.15 0.04 0.00 0.00 177.00 174.83 1qil s LYS 118 N -5.40 2.95 -0.01 4.56 1.02 -1.26 -4.42 119.74 117.17 1qil s LYS 118 Ca 0.68 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.84 1qil s LYS 118 Cb -0.12 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1qil s LYS 118 CO 0.54 0.47 -0.17 -0.06 -0.92 0.00 0.00 175.35 175.22 1qil s PHE 119 N -1.82 1.54 -0.97 3.18 0.08 0.11 -4.89 117.98 115.21 1qil s PHE 119 Ca 0.32 -0.30 0.10 0.00 0.12 0.00 0.00 56.93 57.17 1qil s PHE 119 Cb -0.10 -0.99 0.22 0.00 -0.57 0.00 0.00 43.02 41.59 1qil s PHE 119 CO 0.24 -0.03 1.12 -0.40 -0.10 0.00 0.00 175.22 176.04 1qil n ASP 120 N 2.69 2.56 -4.82 1.36 5.68 -1.26 -1.01 116.55 121.76 1qil n ASP 120 Ca -0.15 -1.84 -0.37 0.00 -0.50 0.00 0.00 54.79 51.93 1qil n ASP 120 Cb 0.54 -0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 1qil n ASP 120 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1qil s LYS 121 N -0.96 3.89 0.28 0.11 1.02 -1.26 0.10 119.74 122.93 1qil s LYS 121 Ca 0.19 0.20 -0.01 0.00 0.02 0.00 0.00 55.97 56.36 1qil s LYS 121 Cb 0.10 -3.27 0.46 0.00 -0.52 0.00 0.00 37.83 34.60 1qil s LYS 121 CO 0.14 0.59 1.90 -0.22 -0.92 0.00 0.00 175.35 176.84 1qil h LYS 122 N 5.32 1.08 -4.53 1.68 1.63 -1.52 -3.43 116.57 116.79 1qil h LYS 122 Ca -0.50 -0.07 -0.27 0.00 -0.85 0.00 0.00 60.65 58.97 1qil h LYS 122 Cb 1.21 -0.24 -0.21 0.00 -0.60 0.00 0.00 32.23 32.38 1qil h LYS 122 CO 0.64 0.72 -0.73 1.14 -3.45 0.00 0.00 179.45 177.77 1qil s GLN 123 N -5.97 0.52 0.01 1.90 -2.07 -1.26 -1.79 119.66 111.00 1qil s GLN 123 Ca -0.12 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 52.68 1qil s GLN 123 Cb 0.20 -0.27 -0.01 0.00 -1.09 0.00 0.00 33.01 31.84 1qil s GLN 123 CO 0.81 0.04 -0.03 -0.51 -1.32 0.00 0.00 175.29 174.28 1qil s LEU 124 N -1.58 2.09 0.66 2.60 1.43 -0.79 -4.89 118.68 118.20 1qil s LEU 124 Ca -0.10 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1qil s LEU 124 Cb -0.10 -0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 1qil s LEU 124 CO 0.00 -0.08 1.07 0.00 0.23 0.00 0.00 176.35 177.57 1qil s ALA 125 N -0.52 2.64 0.35 4.21 0.00 -1.26 -1.17 121.76 126.00 1qil s ALA 125 Ca -0.04 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1qil s ALA 125 Cb -0.04 -3.22 0.65 0.00 0.00 0.00 0.00 23.12 20.50 1qil s ALA 125 CO -0.00 -1.12 1.87 0.82 0.00 0.00 0.00 175.76 177.33 1qil h ILE 126 N -0.22 1.20 0.00 0.00 2.04 -1.84 -2.35 117.51 116.34 1qil h ILE 126 Ca -0.45 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1qil h ILE 126 Cb 1.22 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1qil h ILE 126 CO 0.56 0.27 -0.18 0.77 0.00 0.00 0.00 178.15 179.58 1qil h SER 127 N 0.40 0.00 0.00 1.72 4.64 -1.93 -0.07 113.55 118.31 1qil h SER 127 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1qil h SER 127 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1qil h SER 127 CO 0.02 0.18 -0.00 0.74 -0.87 0.00 0.00 176.83 176.89 1qil h THR 128 N 0.00 1.59 -0.48 2.95 2.02 -1.73 -1.50 112.91 115.76 1qil h THR 128 Ca -0.00 -1.82 0.08 0.00 0.77 0.00 0.00 66.41 65.44 1qil h THR 128 Cb 0.59 2.82 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 1qil h THR 128 CO 0.02 0.47 0.06 -0.07 0.37 0.00 0.00 175.52 176.38 1qil h LEU 129 N -0.79 -0.07 -0.00 2.58 4.07 -1.26 -1.11 115.31 118.73 1qil h LEU 129 Ca -0.00 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.08 1qil h LEU 129 Cb 0.77 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 1qil h LEU 129 CO 0.00 -0.00 -0.23 -0.78 -1.08 0.00 0.00 178.44 176.35 1qil h ASP 130 N 0.19 -0.66 0.79 -0.43 3.58 -0.99 0.25 116.42 119.14 1qil h ASP 130 Ca 0.24 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 1qil h ASP 130 Cb 0.33 0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1qil h ASP 130 CO -0.34 -0.29 -0.20 2.19 -2.88 0.00 0.00 179.24 177.72 1qil h PHE 131 N -0.36 0.00 -0.13 0.28 -5.15 -0.92 -1.58 116.94 109.09 1qil h PHE 131 Ca 0.06 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.75 1qil h PHE 131 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.61 1qil h PHE 131 CO -0.27 0.20 -0.24 0.93 -2.00 0.00 0.00 178.31 176.93 1qil h GLU 132 N 0.00 0.39 0.44 6.09 4.39 -0.51 -1.95 114.58 123.43 1qil h GLU 132 Ca -0.00 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 1qil h GLU 132 Cb 0.64 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1qil h GLU 132 CO 0.03 0.84 -0.21 0.82 -1.16 0.00 0.00 179.01 179.33 1qil h ILE 133 N -0.02 0.56 0.00 3.13 2.04 -0.78 -2.67 117.51 119.77 1qil h ILE 133 Ca 0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1qil h ILE 133 Cb 0.83 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1qil h ILE 133 CO 0.05 0.02 -0.12 0.03 0.00 0.00 0.00 178.15 178.14 1qil h ARG 134 N -0.66 0.00 -0.19 2.37 3.08 -1.35 -2.20 114.38 115.42 1qil h ARG 134 Ca -0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1qil h ARG 134 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1qil h ARG 134 CO 0.10 0.12 -0.51 0.00 -1.07 0.00 0.00 179.97 178.61 1qil h ALA 135 N 1.88 0.32 -0.57 0.04 0.00 -1.27 0.90 119.26 120.56 1qil h ALA 135 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1qil h ALA 135 Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1qil h ALA 135 CO 0.02 0.50 0.30 0.37 0.00 0.00 0.00 179.25 180.44 1qil h GLN 136 N 0.38 0.78 -0.10 0.00 5.75 -1.12 0.12 115.11 120.92 1qil h GLN 136 Ca -0.01 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.31 1qil h GLN 136 Cb 1.13 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1qil h GLN 136 CO 0.11 0.59 -0.31 -0.07 -2.65 0.00 0.00 178.83 176.49 1qil h LEU 137 N 0.79 0.45 -0.16 -2.39 3.38 -1.02 -0.72 115.31 115.64 1qil h LEU 137 Ca 0.20 -0.60 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 1qil h LEU 137 Cb 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1qil h LEU 137 CO -0.03 0.98 -0.23 0.71 0.09 0.00 0.00 178.44 179.95 1qil h THR 138 N -0.05 1.35 -0.20 0.22 1.35 -0.72 0.21 112.91 115.07 1qil h THR 138 Ca -0.01 -1.45 -0.09 0.00 -0.55 0.00 0.00 66.41 64.32 1qil h THR 138 Cb 0.93 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1qil h THR 138 CO 0.07 0.43 -0.21 1.56 -0.25 0.00 0.00 175.52 177.12 1qil h GLN 139 N 0.08 0.49 0.00 4.72 1.08 -1.06 -3.18 115.11 117.25 1qil h GLN 139 Ca 0.02 -0.27 -0.37 0.00 -1.45 0.00 0.00 58.65 56.58 1qil h GLN 139 Cb 0.80 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.18 1qil h GLN 139 CO 0.05 0.85 -2.37 -0.89 -0.95 0.00 0.00 178.83 175.52 1qil n ILE 140 N -4.43 1.42 0.25 2.54 2.08 -0.28 -4.67 119.36 116.27 1qil n ILE 140 Ca -0.05 -0.81 0.06 0.00 0.56 0.00 0.00 62.75 62.51 1qil n ILE 140 Cb 0.41 -0.65 0.09 0.00 -0.75 0.00 0.00 39.64 38.74 1qil n ILE 140 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1qil n HIS 141 N -2.85 0.18 -0.73 1.39 8.25 0.62 -5.00 115.22 117.07 1qil n HIS 141 Ca -0.34 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1qil n HIS 141 Cb 1.13 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.23 1qil n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qil n GLY 142 N 0.64 0.76 3.61 -1.41 0.00 -0.40 -4.93 105.19 103.45 1qil n GLY 142 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 1qil n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qil n LEU 143 N 0.00 2.00 0.00 0.99 0.00 -0.87 -1.78 117.00 117.34 1qil n LEU 143 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.15 1qil n LEU 143 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 43.42 42.14 1qil n LEU 143 CO 0.00 -1.03 0.00 -1.22 0.00 0.00 0.00 177.39 175.14 1qil n TYR 144 N 1.76 0.00 0.04 1.96 4.01 -0.01 -4.40 117.16 120.51 1qil n TYR 144 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.76 1qil n TYR 144 Cb 0.26 -0.61 -0.14 0.00 -0.31 0.00 0.00 39.34 38.55 1qil n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qil h ARG 145 N 1.59 0.12 -4.99 -0.72 3.08 -1.55 -3.45 114.38 108.46 1qil h ARG 145 Ca 0.00 -0.21 -0.34 0.00 0.07 0.00 0.00 59.98 59.50 1qil h ARG 145 Cb 0.00 0.08 -0.14 0.00 0.08 0.00 0.00 29.97 29.98 1qil h ARG 145 CO 0.00 0.92 -0.67 -1.54 -1.07 0.00 0.00 179.97 177.61 1qil s SER 146 N -6.67 1.62 0.63 7.04 1.04 -1.26 -4.98 113.70 111.11 1qil s SER 146 Ca -0.06 -1.16 0.39 0.00 0.48 0.00 0.00 55.95 55.59 1qil s SER 146 Cb 0.08 0.04 2.10 0.00 0.10 0.00 0.00 66.02 68.34 1qil s SER 146 CO 0.83 -0.50 2.28 0.77 0.98 0.00 0.00 173.24 177.61 1qil h SER 147 N 2.61 0.00 -0.45 7.02 4.64 -1.92 -2.88 113.55 122.57 1qil h SER 147 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1qil h SER 147 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1qil h SER 147 CO 0.64 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1qil n ASP 148 N -3.31 4.32 -3.03 4.97 5.75 -1.26 -4.41 116.55 119.59 1qil n ASP 148 Ca -0.03 -2.60 -0.17 0.00 -0.01 0.00 0.00 54.79 51.98 1qil n ASP 148 Cb 0.11 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.58 1qil n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1qil n LYS 149 N 0.56 0.67 -0.12 0.11 5.02 -1.09 -4.77 118.16 118.54 1qil n LYS 149 Ca 0.20 -2.61 0.01 0.00 -2.02 0.00 0.00 58.31 53.89 1qil n LYS 149 Cb 0.89 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 34.55 1qil n LYS 149 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qil n THR 150 N 1.75 0.33 -3.67 -0.18 -2.24 -0.63 -0.83 114.28 108.81 1qil n THR 150 Ca 0.18 -0.36 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1qil n THR 150 Cb 0.56 0.70 0.01 0.00 -2.10 0.00 0.00 70.33 69.51 1qil n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qil n GLY 151 N -0.20 1.45 0.00 3.38 0.00 -0.02 -4.33 105.19 105.46 1qil n GLY 151 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1qil n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qil n GLY 152 N -0.41 0.52 3.67 -0.02 0.00 -1.26 -0.42 105.19 107.27 1qil n GLY 152 Ca -0.05 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1qil n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qil s TYR 153 N -2.40 -0.10 0.05 1.61 -0.85 -0.90 -2.16 117.35 112.60 1qil s TYR 153 Ca 0.00 -0.09 0.05 0.00 -0.52 0.00 0.00 57.07 56.51 1qil s TYR 153 Cb 0.00 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 1qil s TYR 153 CO 0.00 -0.53 -0.15 1.67 -1.52 0.00 0.00 175.55 175.02 1qil s TRP 154 N -2.84 1.31 -0.01 -3.49 1.48 -0.74 -1.80 118.94 112.85 1qil s TRP 154 Ca 0.13 -0.37 0.01 0.00 -1.06 0.00 0.00 56.10 54.80 1qil s TRP 154 Cb 0.02 -0.77 0.00 0.00 -1.16 0.00 0.00 33.47 31.56 1qil s TRP 154 CO -0.01 0.05 -0.04 0.21 -4.06 0.00 0.00 176.95 173.10 1qil s LYS 155 N -1.27 0.39 -0.12 3.25 2.20 -0.25 -1.76 119.74 122.19 1qil s LYS 155 Ca 0.02 -0.11 -0.00 0.00 -0.36 0.00 0.00 55.97 55.51 1qil s LYS 155 Cb -0.08 -0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 1qil s LYS 155 CO 0.02 0.04 -0.10 0.42 -0.36 0.00 0.00 175.35 175.36 1qil s ILE 156 N 0.17 3.31 -0.19 5.43 1.01 0.16 -1.37 121.20 129.72 1qil s ILE 156 Ca -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1qil s ILE 156 Cb -0.05 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1qil s ILE 156 CO -0.00 0.53 -0.18 -0.89 0.00 0.00 0.00 174.94 174.40 1qil s THR 157 N 0.11 2.16 0.59 2.92 2.01 -0.24 -0.97 115.64 122.23 1qil s THR 157 Ca -0.05 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 1qil s THR 157 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1qil s THR 157 CO 0.04 0.49 0.93 -0.04 -0.69 0.00 0.00 174.62 175.35 1qil s MET 158 N 1.29 3.18 0.46 4.92 1.00 0.69 0.45 119.30 131.29 1qil s MET 158 Ca 0.04 0.26 0.22 0.00 0.00 0.00 0.00 55.69 56.21 1qil s MET 158 Cb -0.14 -2.22 1.22 0.00 0.00 0.00 0.00 34.83 33.70 1qil s MET 158 CO -0.12 -0.62 1.86 -0.91 0.00 0.00 0.00 175.02 175.24 1qil h ASN 159 N -0.19 0.27 0.14 3.03 2.35 -1.48 -0.18 115.58 119.53 1qil h ASN 159 Ca -0.45 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1qil h ASN 159 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1qil h ASN 159 CO 0.62 0.10 -0.04 -0.90 -1.65 0.00 0.00 177.43 175.56 1qil n ASP 160 N -4.44 0.58 0.00 5.81 5.68 -1.26 -4.90 116.55 118.03 1qil n ASP 160 Ca 0.19 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 1qil n ASP 160 Cb 0.79 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1qil n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qil n GLY 161 N 1.16 0.76 3.78 6.12 0.00 -0.08 -5.07 105.19 111.86 1qil n GLY 161 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1qil n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qil s SER 162 N -2.46 7.18 0.13 1.61 0.01 -1.25 -4.84 113.70 114.09 1qil s SER 162 Ca 0.00 1.95 0.06 0.00 1.31 0.00 0.00 55.95 59.27 1qil s SER 162 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1qil s SER 162 CO 0.00 -0.18 -0.13 0.42 0.41 0.00 0.00 173.24 173.76 1qil s THR 163 N -1.55 1.31 -0.00 1.44 -4.23 -1.26 -0.23 115.64 111.13 1qil s THR 163 Ca 0.51 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1qil s THR 163 Cb -0.22 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1qil s THR 163 CO 0.27 -0.51 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.37 1qil s TYR 164 N -2.49 1.45 0.03 3.99 2.02 -0.14 -4.95 117.35 117.26 1qil s TYR 164 Ca 0.12 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1qil s TYR 164 Cb -0.03 -0.92 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 1qil s TYR 164 CO 0.03 -0.01 0.16 -1.14 -1.57 0.00 0.00 175.55 173.02 1qil s GLN 165 N -0.55 0.62 -0.08 -0.62 0.74 -1.26 0.38 119.66 118.89 1qil s GLN 165 Ca 0.06 -0.58 -0.09 0.00 0.05 0.00 0.00 55.36 54.80 1qil s GLN 165 Cb -0.07 0.25 0.02 0.00 1.10 0.00 0.00 33.01 34.32 1qil s GLN 165 CO -0.00 -0.17 0.24 0.45 -0.55 0.00 0.00 175.29 175.26 1qil s SER 166 N -1.89 -0.23 -0.32 6.67 0.15 -0.72 -4.99 113.70 112.37 1qil s SER 166 Ca -0.08 0.41 -0.23 0.00 0.70 0.00 0.00 55.95 56.75 1qil s SER 166 Cb -0.03 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1qil s SER 166 CO -0.02 -0.12 0.79 -0.62 1.20 0.00 0.00 173.24 174.47 1qil s ASP 167 N -0.06 6.63 0.00 5.45 -1.08 -1.26 -1.78 116.67 124.57 1qil s ASP 167 Ca -0.02 0.58 0.09 0.00 -0.52 0.00 0.00 52.55 52.69 1qil s ASP 167 Cb -0.02 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.50 1qil s ASP 167 CO 0.01 -0.65 1.20 0.18 0.52 0.00 0.00 175.17 176.42 1qil n LEU 168 N 6.28 0.00 -1.24 -1.34 4.77 -0.92 -2.31 117.00 122.25 1qil n LEU 168 Ca 0.04 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1qil n LEU 168 Cb 0.48 -0.31 0.26 0.00 -2.33 0.00 0.00 43.42 41.52 1qil n LEU 168 CO 0.51 -0.21 0.73 -1.54 -1.33 0.00 0.00 177.39 175.55 1qil n SER 169 N -1.31 3.67 -4.20 -1.43 3.41 -1.26 -4.70 113.62 107.80 1qil n SER 169 Ca 0.04 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.54 1qil n SER 169 Cb 0.08 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 1qil n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qil s LYS 170 N -1.32 0.97 0.48 4.33 1.02 -0.98 -4.93 119.74 119.31 1qil s LYS 170 Ca 0.43 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 54.78 1qil s LYS 170 Cb 0.24 -0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 1qil s LYS 170 CO 0.33 -0.10 1.03 0.21 -0.92 0.00 0.00 175.35 175.90 1qil s LYS 171 N -3.90 3.84 0.19 1.68 2.20 -1.26 -4.87 119.74 117.61 1qil s LYS 171 Ca 0.19 1.36 -0.33 0.00 -0.36 0.00 0.00 55.97 56.83 1qil s LYS 171 Cb 0.06 -2.12 -0.15 0.00 -1.51 0.00 0.00 37.83 34.11 1qil s LYS 171 CO -0.00 -0.40 1.30 0.34 -0.36 0.00 0.00 175.35 176.23 1qil n PHE 172 N -0.91 1.70 -2.56 4.03 7.35 -1.26 -4.82 117.46 120.99 1qil n PHE 172 Ca 0.09 0.56 -0.41 0.00 -0.76 0.00 0.00 57.45 56.92 1qil n PHE 172 Cb 0.52 -2.37 -0.02 0.00 0.35 0.00 0.00 39.48 37.97 1qil n PHE 172 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1qil s GLU 173 N -0.21 3.70 0.31 -4.13 2.12 -1.26 -4.83 118.70 114.39 1qil s GLU 173 Ca 0.73 -1.37 -0.00 0.00 0.36 0.00 0.00 54.97 54.69 1qil s GLU 173 Cb -0.78 -5.41 0.51 0.00 0.26 0.00 0.00 34.13 28.71 1qil s GLU 173 CO 0.50 -2.23 1.94 1.88 -0.54 0.00 0.00 175.26 176.80 1qil h TYR 174 N 9.17 0.88 0.00 5.30 0.05 -2.00 -3.10 116.97 127.27 1qil h TYR 174 Ca 0.27 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1qil h TYR 174 Cb 0.97 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1qil h TYR 174 CO 1.32 0.61 0.00 0.27 -1.05 0.00 0.00 178.16 179.32 1qil n ASN 175 N -4.38 0.00 -0.07 3.88 6.94 -1.26 -2.35 115.26 118.02 1qil n ASN 175 Ca 0.06 0.25 0.02 0.00 -0.02 0.00 0.00 54.58 54.89 1qil n ASN 175 Cb 0.10 -0.37 0.03 0.00 -2.36 0.00 0.00 39.78 37.18 1qil n ASN 175 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1qil n THR 176 N -1.37 0.89 -1.65 5.53 -2.24 -1.17 -4.08 114.28 110.19 1qil n THR 176 Ca 0.05 -0.98 -0.45 0.00 -2.27 0.00 0.00 64.05 60.41 1qil n THR 176 Cb 0.14 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1qil n THR 176 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qil n GLU 177 N -0.56 1.80 -3.01 -0.78 2.13 -0.99 -4.88 120.64 114.34 1qil n GLU 177 Ca 0.04 0.64 -0.23 0.00 0.66 0.00 0.00 57.16 58.26 1qil n GLU 177 Cb 0.44 -2.21 0.01 0.00 0.27 0.00 0.00 31.44 29.94 1qil n GLU 177 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1qil s LYS 178 N -0.81 3.16 0.61 5.31 -0.14 -1.26 -3.46 119.74 123.15 1qil s LYS 178 Ca 0.65 -0.40 -0.18 0.00 -1.36 0.00 0.00 55.97 54.68 1qil s LYS 178 Cb -0.68 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 1qil s LYS 178 CO 0.54 -0.21 1.02 -2.30 -0.76 0.00 0.00 175.35 173.64 1qil n PRO 179 N -2.05 0.92 -1.57 -1.68 -0.02 -1.25 -4.51 135.00 124.82 1qil n PRO 179 Ca 0.00 0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 1qil n PRO 179 Cb 0.57 -2.23 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1qil n PRO 179 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qil n PRO 180 N -1.18 0.97 -4.31 0.52 -0.02 -1.26 -4.70 135.00 125.01 1qil n PRO 180 Ca 0.14 0.36 -0.24 0.00 -2.02 0.00 0.00 63.50 61.74 1qil n PRO 180 Cb 0.48 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1qil n PRO 180 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1qil s ILE 181 N -1.46 2.74 -0.31 4.25 -4.36 -0.32 -4.89 121.20 116.84 1qil s ILE 181 Ca 0.69 -1.95 -0.22 0.00 -0.26 0.00 0.00 60.65 58.90 1qil s ILE 181 Cb -0.49 -2.80 -0.00 0.00 1.25 0.00 0.00 42.46 40.42 1qil s ILE 181 CO 0.53 -0.22 0.71 0.20 0.24 0.00 0.00 174.94 176.40 1qil s ASN 182 N -3.72 6.57 0.56 4.36 0.01 -1.26 -1.89 114.94 119.58 1qil s ASN 182 Ca 0.35 0.50 0.34 0.00 -0.71 0.00 0.00 52.86 53.34 1qil s ASN 182 Cb -0.01 -2.37 1.64 0.00 0.41 0.00 0.00 41.25 40.92 1qil s ASN 182 CO 0.20 -0.56 2.10 0.16 -1.51 0.00 0.00 177.10 177.48 1qil h ILE 183 N 5.59 0.22 0.00 0.60 3.07 -1.62 -2.08 117.51 123.29 1qil h ILE 183 Ca -0.25 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.72 1qil h ILE 183 Cb 1.11 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1qil h ILE 183 CO 0.85 0.05 0.00 -0.90 -1.05 0.00 0.00 178.15 177.10 1qil n ASP 184 N -3.28 0.00 -0.97 2.16 5.68 -1.26 -2.39 116.55 116.48 1qil n ASP 184 Ca -0.01 0.01 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 1qil n ASP 184 Cb 0.23 -0.30 0.13 0.00 -1.14 0.00 0.00 41.12 40.05 1qil n ASP 184 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1qil n GLU 185 N -1.30 2.23 -2.63 0.11 1.02 -0.78 -4.88 120.64 114.41 1qil n GLU 185 Ca 0.10 -1.98 -0.43 0.00 -0.02 0.00 0.00 57.16 54.83 1qil n GLU 185 Cb 0.18 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1qil n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qil s ILE 186 N -1.71 4.45 -0.03 -3.67 1.01 -1.01 -1.21 121.20 119.03 1qil s ILE 186 Ca 0.30 1.65 -0.16 0.00 0.00 0.00 0.00 60.65 62.44 1qil s ILE 186 Cb 0.20 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1qil s ILE 186 CO 0.29 -0.57 0.66 0.50 0.00 0.00 0.00 174.94 175.82 1qil h LYS 187 N 8.29 -0.54 -3.80 2.79 3.64 -0.26 -3.47 116.57 123.22 1qil h LYS 187 Ca -0.21 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1qil h LYS 187 Cb 1.06 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 1qil h LYS 187 CO 1.05 -0.36 -0.40 0.95 -2.27 0.00 0.00 179.45 178.41 1qil s THR 188 N -3.39 0.14 -0.09 1.00 -4.23 -1.03 -4.83 115.64 103.22 1qil s THR 188 Ca -0.08 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1qil s THR 188 Cb 0.01 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.61 1qil s THR 188 CO 0.25 -0.65 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.98 1qil s ILE 189 N -3.60 0.91 0.19 2.99 1.01 0.37 -1.07 121.20 121.99 1qil s ILE 189 Ca 0.03 -0.25 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1qil s ILE 189 Cb 0.04 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1qil s ILE 189 CO -0.10 0.34 -0.21 -1.61 0.00 0.00 0.00 174.94 173.37 1qil s GLU 190 N 1.48 1.65 -0.12 2.79 2.02 -0.47 -0.60 118.70 125.44 1qil s GLU 190 Ca -0.00 -1.45 -0.07 0.00 0.02 0.00 0.00 54.97 53.47 1qil s GLU 190 Cb -0.13 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 32.22 1qil s GLU 190 CO -0.05 0.41 0.30 0.00 0.02 0.00 0.00 175.26 175.94 1qil s ALA 191 N -1.64 -0.73 -0.05 5.21 0.00 0.40 -1.09 121.76 123.86 1qil s ALA 191 Ca 0.21 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1qil s ALA 191 Cb -0.08 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1qil s ALA 191 CO 0.11 -0.21 -0.10 -1.21 0.00 0.00 0.00 175.76 174.35 1qil s GLU 192 N 1.16 1.38 -0.13 0.00 2.02 -0.75 -1.10 118.70 121.29 1qil s GLU 192 Ca -0.08 -0.34 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 1qil s GLU 192 Cb -0.09 -1.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.91 1qil s GLU 192 CO -0.09 0.03 0.02 0.42 0.02 0.00 0.00 175.26 175.66 1qil s ILE 193 N 0.59 4.42 0.00 -1.63 1.01 -0.34 -2.11 121.20 123.15 1qil s ILE 193 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1qil s ILE 193 Cb -0.14 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1qil s ILE 193 CO 0.02 0.54 0.44 0.59 0.00 0.00 0.00 174.94 176.53