#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uaq h LYS 9 N 0.00 0.61 -0.59 4.33 3.64 -2.05 -1.39 116.57 121.13 1uaq h LYS 9 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1uaq h LYS 9 Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1uaq h LYS 9 CO 0.00 0.41 0.00 0.91 -2.27 0.00 0.00 179.45 178.50 1uaq n TRP 10 N -4.86 0.78 -0.13 1.91 7.02 -1.26 -4.54 117.44 116.35 1uaq n TRP 10 Ca 0.22 -0.39 -0.03 0.00 -1.02 0.00 0.00 57.50 56.28 1uaq n TRP 10 Cb 0.59 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.66 1uaq n TRP 10 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1uaq h ASP 11 N 4.11 0.78 -0.36 -0.99 3.32 -1.68 -0.08 116.42 121.52 1uaq h ASP 11 Ca 0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1uaq h ASP 11 Cb 0.93 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1uaq h ASP 11 CO 0.00 0.79 0.07 -0.61 -1.72 0.00 0.00 179.24 177.76 1uaq h GLN 12 N 0.80 0.60 -0.08 3.56 5.75 -1.80 -1.52 115.11 122.42 1uaq h GLN 12 Ca 0.17 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1uaq h GLN 12 Cb 0.33 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1uaq h GLN 12 CO 0.00 0.66 0.01 -0.22 -2.65 0.00 0.00 178.83 176.63 1uaq h LYS 13 N 0.44 0.04 -0.45 1.69 3.64 -1.78 -1.49 116.57 118.66 1uaq h LYS 13 Ca 0.11 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1uaq h LYS 13 Cb 0.35 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1uaq h LYS 13 CO 0.01 0.03 -0.06 0.78 -2.27 0.00 0.00 179.45 177.93 1uaq h GLY 14 N 0.04 0.89 2.00 5.01 0.00 -0.93 -2.16 103.07 107.92 1uaq h GLY 14 Ca 0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 1uaq h GLY 14 CO -0.06 0.64 -0.45 1.98 0.00 0.00 0.00 176.54 178.65 1uaq h MET 15 N 0.66 0.00 -0.33 4.80 1.85 -1.22 -0.46 114.93 120.23 1uaq h MET 15 Ca 0.12 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.15 1uaq h MET 15 Cb 0.58 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 1uaq h MET 15 CO 0.03 0.45 -0.02 -0.44 -0.40 0.00 0.00 176.91 176.53 1uaq h ASP 16 N 0.00 0.59 -0.50 1.39 3.45 -1.04 -0.11 116.42 120.21 1uaq h ASP 16 Ca -0.00 -0.33 -0.03 0.00 0.43 0.00 0.00 57.03 57.10 1uaq h ASP 16 Cb 0.85 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 1uaq h ASP 16 CO 0.06 0.77 0.19 0.40 -1.57 0.00 0.00 179.24 179.09 1uaq h ILE 17 N 0.39 1.22 -0.72 0.35 2.04 -1.21 -0.64 117.51 118.93 1uaq h ILE 17 Ca 0.09 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1uaq h ILE 17 Cb 0.49 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1uaq h ILE 17 CO 0.02 0.26 0.31 0.00 0.00 0.00 0.00 178.15 178.74 1uaq h ALA 18 N 1.03 1.19 -0.40 1.87 0.00 -0.94 -1.78 119.26 120.24 1uaq h ALA 18 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1uaq h ALA 18 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1uaq h ALA 18 CO -0.01 0.60 -0.30 -0.92 0.00 0.00 0.00 179.25 178.61 1uaq h TYR 19 N 1.03 1.02 -0.96 0.00 3.20 -0.59 -1.53 116.97 119.14 1uaq h TYR 19 Ca 0.25 -0.27 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1uaq h TYR 19 Cb 0.16 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.13 1uaq h TYR 19 CO 0.01 1.07 0.61 0.93 -1.64 0.00 0.00 178.16 179.14 1uaq h GLU 20 N 0.74 1.08 -0.46 1.82 5.08 -0.62 0.95 114.58 123.18 1uaq h GLU 20 Ca 0.08 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1uaq h GLU 20 Cb 0.87 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1uaq h GLU 20 CO 0.08 0.72 0.01 0.93 -1.00 0.00 0.00 179.01 179.74 1uaq h GLU 21 N 1.11 0.80 -0.69 2.33 4.39 -1.04 -0.48 114.58 121.01 1uaq h GLU 21 Ca 0.42 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1uaq h GLU 21 Cb 0.17 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1uaq h GLU 21 CO -0.17 0.85 0.44 0.00 -1.16 0.00 0.00 179.01 178.97 1uaq h ALA 22 N 0.92 0.87 -0.61 3.43 0.00 -0.39 -0.23 119.26 123.24 1uaq h ALA 22 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uaq h ALA 22 Cb 0.49 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1uaq h ALA 22 CO 0.02 0.31 0.19 0.00 0.00 0.00 0.00 179.25 179.77 1uaq h ALA 23 N 1.24 0.80 -0.41 0.00 0.00 -0.68 -1.42 119.26 118.79 1uaq h ALA 23 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1uaq h ALA 23 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1uaq h ALA 23 CO -0.05 0.47 0.17 1.25 0.00 0.00 0.00 179.25 181.09 1uaq h LEU 24 N 0.87 0.57 -1.24 0.00 5.85 -0.74 -1.97 115.31 118.66 1uaq h LEU 24 Ca 0.20 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1uaq h LEU 24 Cb 0.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1uaq h LEU 24 CO -0.01 0.57 0.18 1.23 -0.34 0.00 0.00 178.44 180.08 1uaq h GLY 25 N 0.53 0.76 0.99 3.75 0.00 -0.89 -2.21 103.07 106.00 1uaq h GLY 25 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1uaq h GLY 25 CO -0.01 0.36 0.15 -1.82 0.00 0.00 0.00 176.54 175.22 1uaq h TYR 26 N 0.70 0.30 -0.26 5.60 3.20 -0.91 0.44 116.97 126.05 1uaq h TYR 26 Ca 0.17 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1uaq h TYR 26 Cb 0.16 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1uaq h TYR 26 CO 0.01 0.21 0.17 -0.22 -1.64 0.00 0.00 178.16 176.69 1uaq h LYS 27 N 0.31 0.25 -0.00 1.82 3.64 -0.95 -1.16 116.57 120.48 1uaq h LYS 27 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1uaq h LYS 27 Cb -0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1uaq h LYS 27 CO -0.02 0.17 -0.02 0.39 -2.27 0.00 0.00 179.45 177.70 1uaq n GLU 28 N -4.50 0.46 -0.24 1.90 1.02 -0.87 -4.89 120.64 113.53 1uaq n GLU 28 Ca 0.02 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1uaq n GLU 28 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1uaq n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uaq n GLY 29 N 1.28 0.87 0.32 0.62 0.00 -0.44 -4.87 105.19 102.97 1uaq n GLY 29 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1uaq n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uaq n GLY 30 N -2.22 2.25 3.69 -0.02 0.00 0.10 -4.91 105.19 104.08 1uaq n GLY 30 Ca 0.00 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1uaq n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uaq s VAL 31 N 0.44 3.80 -1.35 1.61 1.01 -1.26 -4.25 120.40 120.40 1uaq s VAL 31 Ca 0.04 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 1uaq s VAL 31 Cb -0.00 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1uaq s VAL 31 CO 0.03 0.02 2.13 -0.81 0.00 0.00 0.00 175.10 176.47 1uaq n PRO 32 N 5.03 2.68 -4.22 2.72 -0.04 -1.26 -4.36 135.00 135.56 1uaq n PRO 32 Ca 0.12 -2.57 -0.24 0.00 -0.04 0.00 0.00 63.50 60.78 1uaq n PRO 32 Cb 0.44 -3.27 -0.17 0.00 -0.04 0.00 0.00 33.50 30.47 1uaq n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1uaq s ILE 33 N 3.69 0.86 0.27 0.52 1.01 -1.26 -4.72 121.20 121.56 1uaq s ILE 33 Ca 0.50 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1uaq s ILE 33 Cb 0.13 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 1uaq s ILE 33 CO -0.04 0.31 0.03 -0.83 0.00 0.00 0.00 174.94 174.41 1uaq s GLY 34 N 1.11 1.75 0.28 6.18 0.00 -1.26 -1.60 107.32 113.79 1uaq s GLY 34 Ca -0.07 -1.88 -0.20 0.00 0.00 0.00 0.00 44.72 42.57 1uaq s GLY 34 CO -0.01 -1.71 0.80 -0.32 0.00 0.00 0.00 173.10 171.86 1uaq s GLY 35 N -3.37 0.02 0.05 0.20 0.00 0.08 -1.16 107.32 103.15 1uaq s GLY 35 Ca 0.32 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.42 1uaq s GLY 35 CO 0.12 0.02 0.67 0.00 0.00 0.00 0.00 173.10 173.91 1uaq s LEU 37 N -2.05 2.48 -0.02 0.00 2.96 -0.25 -0.40 118.68 121.39 1uaq s LEU 37 Ca -0.03 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1uaq s LEU 37 Cb -0.01 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1uaq s LEU 37 CO -0.03 0.08 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.20 1uaq s ILE 38 N 0.85 2.21 -0.15 6.68 1.01 -0.60 -0.07 121.20 131.13 1uaq s ILE 38 Ca -0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 1uaq s ILE 38 Cb -0.15 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1uaq s ILE 38 CO -0.01 0.56 1.11 0.21 0.00 0.00 0.00 174.94 176.82 1uaq s ASN 39 N -0.70 7.09 0.54 3.58 3.04 0.18 -1.65 114.94 127.03 1uaq s ASN 39 Ca 0.10 1.57 0.28 0.00 0.04 0.00 0.00 52.86 54.85 1uaq s ASN 39 Cb -0.10 -2.55 1.56 0.00 -1.54 0.00 0.00 41.25 38.62 1uaq s ASN 39 CO -0.00 -0.62 2.12 0.78 -3.04 0.00 0.00 177.10 176.34 1uaq h ASN 40 N 7.55 0.00 0.39 -4.21 2.35 -1.37 0.22 115.58 120.51 1uaq h ASN 40 Ca -0.26 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1uaq h ASN 40 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1uaq h ASN 40 CO 0.93 0.09 -0.19 0.50 -1.65 0.00 0.00 177.43 177.11 1uaq h LYS 41 N 0.00 -0.50 -0.08 0.81 1.63 -1.91 -3.39 116.57 113.13 1uaq h LYS 41 Ca -0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1uaq h LYS 41 Cb 0.24 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1uaq h LYS 41 CO 0.01 -0.19 0.00 -0.40 -3.45 0.00 0.00 179.45 175.42 1uaq n ASP 42 N -5.16 2.01 0.00 4.20 3.85 -1.21 -4.99 116.55 115.25 1uaq n ASP 42 Ca -0.09 -1.54 0.00 0.00 -0.71 0.00 0.00 54.79 52.45 1uaq n ASP 42 Cb 0.28 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 1uaq n ASP 42 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uaq n GLY 43 N 0.46 0.59 3.77 6.12 0.00 0.06 -5.00 105.19 111.19 1uaq n GLY 43 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1uaq n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uaq s SER 44 N -2.30 6.21 -0.37 1.61 1.04 -1.25 -4.70 113.70 113.94 1uaq s SER 44 Ca 0.00 2.34 -0.20 0.00 0.48 0.00 0.00 55.95 58.56 1uaq s SER 44 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.52 1uaq s SER 44 CO 0.00 -0.89 0.62 -0.69 0.98 0.00 0.00 173.24 173.26 1uaq s VAL 45 N -1.51 4.89 0.18 5.02 1.01 -1.26 -0.64 120.40 128.09 1uaq s VAL 45 Ca 0.62 0.45 0.10 0.00 0.00 0.00 0.00 61.98 63.15 1uaq s VAL 45 Cb -0.30 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 1uaq s VAL 45 CO 0.36 -0.37 1.50 -0.07 0.00 0.00 0.00 175.10 176.52 1uaq h LEU 46 N 9.42 0.00 0.00 3.92 3.38 -0.85 -3.48 115.31 127.69 1uaq h LEU 46 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1uaq h LEU 46 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1uaq h LEU 46 CO 0.84 0.72 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1uaq n GLY 47 N 0.69 0.95 3.23 0.83 0.00 -1.21 -4.37 105.19 105.30 1uaq n GLY 47 Ca -0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1uaq n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uaq s ARG 48 N -2.00 0.79 0.16 1.61 1.70 -1.26 -1.09 118.95 118.85 1uaq s ARG 48 Ca 0.00 -0.60 -0.23 0.00 -0.47 0.00 0.00 55.73 54.43 1uaq s ARG 48 Cb 0.00 0.34 0.08 0.00 -0.57 0.00 0.00 34.95 34.80 1uaq s ARG 48 CO 0.00 -0.25 1.08 0.20 -1.08 0.00 0.00 175.30 175.25 1uaq s GLY 49 N -2.19 0.11 0.20 3.88 0.00 -0.83 -4.66 107.32 103.82 1uaq s GLY 49 Ca -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 1uaq s GLY 49 CO -0.05 3.27 0.24 -2.38 0.00 0.00 0.00 173.10 174.18 1uaq s HIS 50 N -2.06 0.80 0.15 1.90 -3.43 -1.26 -0.74 115.29 110.65 1uaq s HIS 50 Ca 0.24 -1.10 -0.33 0.00 -0.80 0.00 0.00 55.06 53.07 1uaq s HIS 50 Cb -0.03 -0.27 -0.13 0.00 -1.43 0.00 0.00 32.58 30.72 1uaq s HIS 50 CO 0.05 -0.74 1.65 -1.71 -2.00 0.00 0.00 174.74 171.99 1uaq n ASN 51 N -0.28 3.39 -0.62 7.38 2.85 -0.63 -4.43 115.26 122.92 1uaq n ASN 51 Ca -0.01 1.06 0.08 0.00 -0.11 0.00 0.00 54.58 55.61 1uaq n ASN 51 Cb 0.64 -1.46 0.22 0.00 1.24 0.00 0.00 39.78 40.41 1uaq n ASN 51 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1uaq n MET 52 N 3.94 2.30 -0.09 1.20 2.81 0.44 -4.59 117.12 123.12 1uaq n MET 52 Ca 0.17 -2.78 -0.06 0.00 -1.81 0.00 0.00 57.70 53.22 1uaq n MET 52 Cb 0.31 -1.73 -0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1uaq n MET 52 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1uaq h ARG 53 N 1.14 -0.16 0.11 0.03 2.43 -1.70 0.15 114.38 116.37 1uaq h ARG 53 Ca 0.01 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 1uaq h ARG 53 Cb 1.30 0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1uaq h ARG 53 CO 0.15 -0.11 -0.83 0.74 -1.51 0.00 0.00 179.97 178.42 1uaq h PHE 54 N -0.17 0.63 -0.89 2.20 -1.00 -1.86 0.22 116.94 116.06 1uaq h PHE 54 Ca 0.17 -0.42 0.05 0.00 2.81 0.00 0.00 57.97 60.59 1uaq h PHE 54 Cb 0.44 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.90 1uaq h PHE 54 CO -0.43 1.29 0.56 1.96 -1.61 0.00 0.00 178.31 180.09 1uaq h GLN 55 N -0.22 1.01 -0.04 1.51 7.50 -1.85 -3.21 115.11 119.82 1uaq h GLN 55 Ca -0.13 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 58.95 1uaq h GLN 55 Cb 1.60 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 28.90 1uaq h GLN 55 CO 0.16 0.67 0.00 1.63 -1.50 0.00 0.00 178.83 179.79 1uaq n LYS 56 N -4.57 2.83 -3.65 1.46 5.02 0.50 -4.99 118.16 114.75 1uaq n LYS 56 Ca 0.12 -1.53 -0.24 0.00 -2.02 0.00 0.00 58.31 54.65 1uaq n LYS 56 Cb 0.15 -1.03 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 1uaq n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uaq n GLY 57 N -0.35 -0.48 3.58 0.72 0.00 0.01 -4.95 105.19 103.73 1uaq n GLY 57 Ca 0.01 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1uaq n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uaq s SER 58 N -3.62 5.46 0.00 1.61 0.15 -0.88 -4.97 113.70 111.45 1uaq s SER 58 Ca 0.44 0.00 0.27 0.00 0.70 0.00 0.00 55.95 57.36 1uaq s SER 58 Cb -0.20 -1.94 0.96 0.00 -1.71 0.00 0.00 66.02 63.12 1uaq s SER 58 CO 0.76 0.13 1.71 0.00 1.20 0.00 0.00 173.24 177.04 1uaq n ALA 59 N 3.84 2.92 -0.00 5.45 0.00 -1.26 -4.02 120.51 127.44 1uaq n ALA 59 Ca -0.16 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.03 1uaq n ALA 59 Cb 0.52 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1uaq n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uaq n THR 60 N -1.28 0.00 -1.49 0.00 -2.24 -1.26 -4.87 114.28 103.14 1uaq n THR 60 Ca 0.09 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 1uaq n THR 60 Cb 0.32 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1uaq n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uaq n LEU 61 N -1.57 6.64 -4.68 3.22 4.77 -1.26 -4.76 117.00 119.35 1uaq n LEU 61 Ca -0.00 -3.90 -0.29 0.00 -0.03 0.00 0.00 56.01 51.79 1uaq n LEU 61 Cb 0.06 -1.51 0.19 0.00 -2.33 0.00 0.00 43.42 39.82 1uaq n LEU 61 CO 0.04 1.01 0.66 -1.00 -1.33 0.00 0.00 177.39 176.77 1uaq s HIS 62 N 3.33 1.78 0.24 -1.77 3.76 -1.26 -0.42 115.29 120.95 1uaq s HIS 62 Ca 0.53 0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 56.21 1uaq s HIS 62 Cb 0.15 -3.36 0.41 0.00 1.11 0.00 0.00 32.58 30.88 1uaq s HIS 62 CO -0.05 -3.06 1.79 0.78 -0.85 0.00 0.00 174.74 173.36 1uaq h GLY 63 N -2.00 1.24 1.18 -2.22 0.00 -1.77 0.04 103.07 99.54 1uaq h GLY 63 Ca -0.52 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 46.39 1uaq h GLY 63 CO 0.53 0.08 -0.32 0.83 0.00 0.00 0.00 176.54 177.66 1uaq h GLU 64 N 0.71 0.91 -0.35 4.80 3.07 -1.90 -0.47 114.58 121.35 1uaq h GLU 64 Ca 0.40 -0.44 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 1uaq h GLU 64 Cb 0.42 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1uaq h GLU 64 CO -0.27 1.09 -0.20 0.82 -1.40 0.00 0.00 179.01 179.05 1uaq h ILE 65 N 0.76 1.29 -0.77 3.13 1.08 -1.77 -1.85 117.51 119.37 1uaq h ILE 65 Ca 0.08 -1.33 -0.05 0.00 -0.39 0.00 0.00 64.86 63.18 1uaq h ILE 65 Cb 0.89 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 1uaq h ILE 65 CO 0.08 0.44 0.30 -1.28 -0.69 0.00 0.00 178.15 177.00 1uaq h SER 66 N 0.54 1.06 -0.16 1.72 0.87 -0.87 0.23 113.55 116.94 1uaq h SER 66 Ca 0.08 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1uaq h SER 66 Cb 0.74 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1uaq h SER 66 CO 0.06 0.95 0.05 0.74 -0.53 0.00 0.00 176.83 178.09 1uaq h THR 67 N 1.11 0.95 -0.65 2.23 2.02 -0.97 0.49 112.91 118.09 1uaq h THR 67 Ca 0.26 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 1uaq h THR 67 Cb 0.22 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1uaq h THR 67 CO -0.02 0.02 0.16 -0.07 0.37 0.00 0.00 175.52 175.98 1uaq h LEU 68 N 0.12 0.96 -0.91 2.58 3.38 -0.97 -2.40 115.31 118.07 1uaq h LEU 68 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1uaq h LEU 68 Cb 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1uaq h LEU 68 CO -0.08 0.93 0.50 -0.08 0.09 0.00 0.00 178.44 179.80 1uaq h GLU 69 N 0.97 1.27 0.00 1.13 4.57 -0.62 -2.36 114.58 119.54 1uaq h GLU 69 Ca 0.21 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1uaq h GLU 69 Cb 0.35 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1uaq h GLU 69 CO 0.00 0.92 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.77 1uaq h ASN 70 N 1.27 0.00 1.26 1.04 -0.26 -0.47 -2.35 115.58 116.06 1uaq h ASN 70 Ca 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1uaq h ASN 70 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1uaq h ASN 70 CO -0.05 0.08 0.00 0.00 -1.06 0.00 0.00 177.43 176.39 1uaq n GLY 72 N 0.43 -2.20 3.74 0.00 0.00 -0.89 -4.82 105.19 101.46 1uaq n GLY 72 Ca 0.02 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1uaq n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uaq s ARG 73 N -1.13 4.20 0.01 1.61 0.52 -1.26 -4.94 118.95 117.96 1uaq s ARG 73 Ca 0.00 2.43 -0.00 0.00 -0.52 0.00 0.00 55.73 57.64 1uaq s ARG 73 Cb 0.00 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 1uaq s ARG 73 CO 0.00 -0.57 -0.02 -0.51 0.02 0.00 0.00 175.30 174.22 1uaq s LEU 74 N 0.14 2.18 0.50 2.53 1.43 -1.26 -5.14 118.68 119.06 1uaq s LEU 74 Ca 0.65 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1uaq s LEU 74 Cb -0.45 0.08 -0.06 0.00 0.03 0.00 0.00 46.19 45.79 1uaq s LEU 74 CO 0.40 -0.22 1.25 -1.61 0.23 0.00 0.00 176.35 176.40 1uaq s GLU 75 N -1.09 3.45 0.30 1.70 2.02 -1.26 -4.91 118.70 118.91 1uaq s GLU 75 Ca -0.12 1.97 0.05 0.00 0.02 0.00 0.00 54.97 56.89 1uaq s GLU 75 Cb -0.07 -2.32 0.70 0.00 0.10 0.00 0.00 34.13 32.54 1uaq s GLU 75 CO -0.01 -0.86 1.79 0.78 0.02 0.00 0.00 175.26 176.98 1uaq h GLY 76 N 1.73 1.77 1.76 -1.39 0.00 -2.00 -2.04 103.07 102.90 1uaq h GLY 76 Ca -0.50 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.48 1uaq h GLY 76 CO 0.59 -0.02 0.09 0.07 0.00 0.00 0.00 176.54 177.27 1uaq h LYS 77 N 0.82 0.00 -0.87 4.80 2.10 -1.94 -2.56 116.57 118.92 1uaq h LYS 77 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1uaq h LYS 77 Cb 0.81 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.10 1uaq h LYS 77 CO -0.36 0.00 0.55 0.28 -2.00 0.00 0.00 179.45 177.92 1uaq h VAL 78 N 0.00 1.24 0.00 0.07 2.07 -1.74 -2.63 116.25 115.26 1uaq h VAL 78 Ca 0.05 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1uaq h VAL 78 Cb 0.23 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1uaq h VAL 78 CO -0.00 0.24 -0.14 1.88 0.02 0.00 0.00 177.57 179.57 1uaq h TYR 79 N 1.19 0.00 0.00 1.57 -1.99 -1.62 -3.24 116.97 112.89 1uaq h TYR 79 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1uaq h TYR 79 Cb -0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.65 1uaq h TYR 79 CO -0.00 0.14 0.00 1.63 -0.00 0.00 0.00 178.16 179.93 1uaq n LYS 80 N -3.40 0.16 -2.65 4.88 4.76 -0.99 -2.71 118.16 118.20 1uaq n LYS 80 Ca -0.01 0.50 -0.19 0.00 -2.87 0.00 0.00 58.31 55.74 1uaq n LYS 80 Cb 0.33 -1.87 0.01 0.00 -1.84 0.00 0.00 35.03 31.65 1uaq n LYS 80 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1uaq n ASP 81 N -2.18 3.01 -4.42 4.39 2.03 -1.22 -4.50 116.55 113.65 1uaq n ASP 81 Ca 0.01 -3.24 -0.20 0.00 0.52 0.00 0.00 54.79 51.88 1uaq n ASP 81 Cb 0.14 -0.51 -0.11 0.00 -0.72 0.00 0.00 41.12 39.93 1uaq n ASP 81 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1uaq s THR 82 N -4.18 1.07 -0.05 5.18 -4.23 -1.10 -0.95 115.64 111.39 1uaq s THR 82 Ca 0.39 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1uaq s THR 82 Cb 0.41 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1uaq s THR 82 CO -0.08 -0.02 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.99 1uaq s THR 83 N -3.38 0.98 -0.26 3.99 2.01 -0.66 -3.67 115.64 114.64 1uaq s THR 83 Ca 0.36 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 1uaq s THR 83 Cb 0.08 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1uaq s THR 83 CO 0.15 0.31 0.19 -0.22 -0.69 0.00 0.00 174.62 174.36 1uaq s LEU 84 N 0.50 4.06 -0.18 4.42 2.96 -0.29 -1.56 118.68 128.58 1uaq s LEU 84 Ca -0.10 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1uaq s LEU 84 Cb -0.13 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1uaq s LEU 84 CO 0.02 -0.02 0.19 -0.31 -1.32 0.00 0.00 176.35 174.91 1uaq s TYR 85 N 1.52 3.43 -0.02 5.38 1.51 0.46 -1.14 117.35 128.50 1uaq s TYR 85 Ca 0.08 0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.58 1uaq s TYR 85 Cb -0.15 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1uaq s TYR 85 CO 0.09 0.27 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.66 1uaq s THR 86 N 0.39 0.50 0.09 -0.71 -1.32 -0.45 -1.41 115.64 112.72 1uaq s THR 86 Ca 0.11 -0.21 0.30 0.00 -1.21 0.00 0.00 61.69 60.69 1uaq s THR 86 Cb -0.12 -0.46 0.35 0.00 -1.51 0.00 0.00 72.50 70.76 1uaq s THR 86 CO 0.00 0.17 1.93 0.71 -2.21 0.00 0.00 174.62 175.22 1uaq h THR 87 N 5.42 0.16 -4.11 5.08 1.35 -1.44 0.19 112.91 119.57 1uaq h THR 87 Ca -0.33 -0.70 -0.53 0.00 -0.55 0.00 0.00 66.41 64.31 1uaq h THR 87 Cb 1.17 1.60 -0.25 0.00 -1.73 0.00 0.00 68.15 68.94 1uaq h THR 87 CO 0.49 0.06 -0.82 -0.22 -0.25 0.00 0.00 175.52 174.78 1uaq s LEU 88 N -6.37 2.17 0.24 3.87 2.96 -1.26 -2.14 118.68 118.15 1uaq s LEU 88 Ca 0.01 -0.50 -0.31 0.00 -0.22 0.00 0.00 54.13 53.12 1uaq s LEU 88 Cb 0.09 -0.82 -0.14 0.00 0.50 0.00 0.00 46.19 45.82 1uaq s LEU 88 CO 0.58 0.11 1.29 -0.24 -1.32 0.00 0.00 176.35 176.76 1uaq n SER 89 N 1.86 2.22 -4.75 3.68 2.88 -0.68 -4.78 113.62 114.05 1uaq n SER 89 Ca -0.17 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.11 1uaq n SER 89 Cb 0.54 -1.36 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 1uaq n SER 89 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1uaq s PRO 90 N -0.68 4.43 1.20 -1.46 0.04 -1.26 -4.78 135.00 132.49 1uaq s PRO 90 Ca 0.67 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 63.58 1uaq s PRO 90 Cb -0.70 -3.14 0.29 0.00 0.04 0.00 0.00 34.50 30.99 1uaq s PRO 90 CO 0.53 -0.13 1.15 0.00 0.04 0.00 0.00 177.00 178.58 1uaq h ASP 92 N -2.57 0.06 0.08 0.00 3.32 -1.96 -0.14 116.42 115.21 1uaq h ASP 92 Ca -0.42 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1uaq h ASP 92 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1uaq h ASP 92 CO 0.28 0.20 -0.04 -0.03 -1.72 0.00 0.00 179.24 177.93 1uaq h MET 93 N 0.06 -0.10 -0.46 3.56 4.05 -1.99 -1.86 114.93 118.19 1uaq h MET 93 Ca 0.01 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1uaq h MET 93 Cb 0.28 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1uaq h MET 93 CO 0.02 0.43 0.05 0.00 0.23 0.00 0.00 176.91 177.64 1uaq h THR 95 N 0.68 0.96 -0.88 0.00 2.02 -1.04 -2.09 112.91 112.56 1uaq h THR 95 Ca 0.14 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1uaq h THR 95 Cb 0.35 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1uaq h THR 95 CO 0.01 0.10 0.58 1.23 0.37 0.00 0.00 175.52 177.81 1uaq h GLY 96 N 0.55 1.25 0.94 2.16 0.00 -0.42 -1.67 103.07 105.87 1uaq h GLY 96 Ca 0.24 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1uaq h GLY 96 CO -0.16 0.41 0.16 0.00 0.00 0.00 0.00 176.54 176.95 1uaq h ALA 97 N 1.47 0.49 -0.49 3.60 0.00 -0.94 0.24 119.26 123.63 1uaq h ALA 97 Ca 0.34 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1uaq h ALA 97 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1uaq h ALA 97 CO -0.09 0.08 0.30 0.82 0.00 0.00 0.00 179.25 180.36 1uaq h ILE 98 N 0.47 1.06 -0.28 0.00 2.04 -0.99 -1.80 117.51 118.01 1uaq h ILE 98 Ca 0.13 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1uaq h ILE 98 Cb 0.16 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1uaq h ILE 98 CO -0.01 0.11 -0.01 0.40 0.00 0.00 0.00 178.15 178.64 1uaq h ILE 99 N 0.59 1.26 -0.67 -0.67 2.04 -1.07 -1.13 117.51 117.86 1uaq h ILE 99 Ca 0.19 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1uaq h ILE 99 Cb 0.00 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1uaq h ILE 99 CO -0.08 0.30 0.41 -0.03 0.00 0.00 0.00 178.15 178.75 1uaq h MET 100 N 0.29 0.76 -0.00 2.37 4.05 -0.32 -2.06 114.93 120.01 1uaq h MET 100 Ca 0.08 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1uaq h MET 100 Cb 0.44 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1uaq h MET 100 CO 0.02 0.50 -0.24 0.66 0.23 0.00 0.00 176.91 178.08 1uaq n TYR 101 N -4.71 0.00 -1.63 1.39 4.02 -0.70 -4.93 117.16 110.60 1uaq n TYR 101 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.91 1uaq n TYR 101 Cb 0.11 -0.25 -0.01 0.00 -0.02 0.00 0.00 39.34 39.16 1uaq n TYR 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uaq n GLY 102 N 1.40 0.47 3.64 2.72 0.00 -0.48 -4.53 105.19 108.41 1uaq n GLY 102 Ca 0.10 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1uaq n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uaq s ILE 103 N -2.23 3.47 0.21 -0.61 1.01 -0.89 -4.26 121.20 117.90 1uaq s ILE 103 Ca 0.00 0.54 0.35 0.00 0.00 0.00 0.00 60.65 61.53 1uaq s ILE 103 Cb 0.00 -3.46 0.39 0.00 0.01 0.00 0.00 42.46 39.40 1uaq s ILE 103 CO 0.00 -0.17 2.04 1.55 0.00 0.00 0.00 174.94 178.36 1uaq h PRO 104 N 11.15 0.00 -3.80 2.79 0.13 -1.75 -3.45 132.00 137.08 1uaq h PRO 104 Ca -0.38 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.45 1uaq h PRO 104 Cb 1.18 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 1uaq h PRO 104 CO 0.98 0.02 -0.74 0.50 -0.23 0.00 0.00 178.00 178.53 1uaq s ARG 105 N -3.77 0.18 -0.10 0.86 3.52 -1.24 -1.30 118.95 117.09 1uaq s ARG 105 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1uaq s ARG 105 Cb 0.10 -0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1uaq s ARG 105 CO 0.53 -0.06 -0.10 0.00 -0.81 0.00 0.00 175.30 174.87 1uaq s VAL 107 N 1.40 4.03 -0.18 0.00 1.01 -0.29 -1.48 120.40 124.89 1uaq s VAL 107 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1uaq s VAL 107 Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1uaq s VAL 107 CO -0.05 0.39 0.03 -0.69 0.00 0.00 0.00 175.10 174.78 1uaq s VAL 108 N 1.31 4.45 0.04 2.92 1.01 0.82 -1.34 120.40 129.60 1uaq s VAL 108 Ca 0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1uaq s VAL 108 Cb -0.15 -2.99 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 1uaq s VAL 108 CO 0.02 0.46 1.44 1.23 0.00 0.00 0.00 175.10 178.24 1uaq h GLY 109 N 6.83 -0.74 -3.29 4.51 0.00 -0.57 0.10 103.07 109.90 1uaq h GLY 109 Ca -0.35 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1uaq h GLY 109 CO 0.67 -0.27 0.05 -1.83 0.00 0.00 0.00 176.54 175.16 1uaq s GLU 110 N -5.42 1.11 -0.07 4.80 4.04 -0.91 -0.71 118.70 121.54 1uaq s GLU 110 Ca -0.16 -0.44 0.19 0.00 0.04 0.00 0.00 54.97 54.60 1uaq s GLU 110 Cb 0.03 0.50 0.39 0.00 0.02 0.00 0.00 34.13 35.07 1uaq s GLU 110 CO 0.57 -0.44 1.17 0.27 -1.84 0.00 0.00 175.26 174.99 1uaq n ASN 111 N -0.00 1.19 0.00 0.83 2.04 -1.26 -1.69 115.26 116.37 1uaq n ASN 111 Ca -0.17 -2.62 -0.20 0.00 -0.44 0.00 0.00 54.58 51.15 1uaq n ASN 111 Cb 0.63 -0.37 -0.14 0.00 -2.53 0.00 0.00 39.78 37.37 1uaq n ASN 111 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1uaq n VAL 112 N -0.11 1.76 0.36 3.53 0.31 -1.26 -4.15 118.33 118.77 1uaq n VAL 112 Ca 0.10 -0.68 0.12 0.00 -0.01 0.00 0.00 64.34 63.87 1uaq n VAL 112 Cb 0.95 -1.64 0.23 0.00 -0.91 0.00 0.00 33.84 32.47 1uaq n VAL 112 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1uaq h ASN 113 N 0.06 0.00 -3.36 4.52 2.35 -1.93 -3.46 115.58 113.76 1uaq h ASN 113 Ca -0.40 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.40 1uaq h ASN 113 Cb 2.03 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 40.15 1uaq h ASN 113 CO 0.09 0.01 0.49 0.12 -1.65 0.00 0.00 177.43 176.48 1uaq s PHE 114 N -3.19 -0.44 -0.22 1.19 5.36 -1.26 -5.08 117.98 114.35 1uaq s PHE 114 Ca 0.07 1.01 -0.16 0.00 -0.96 0.00 0.00 56.93 56.90 1uaq s PHE 114 Cb 0.08 0.38 0.06 0.00 -0.34 0.00 0.00 43.02 43.21 1uaq s PHE 114 CO 0.66 -0.25 0.56 0.21 -1.46 0.00 0.00 175.22 174.94 1uaq s LYS 115 N -0.06 0.60 0.49 10.12 2.20 -1.26 -4.37 119.74 127.45 1uaq s LYS 115 Ca 0.02 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.58 1uaq s LYS 115 Cb -0.04 0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1uaq s LYS 115 CO -0.05 -0.12 0.29 -1.13 -0.36 0.00 0.00 175.35 173.98 1uaq n SER 116 N 3.60 2.74 0.00 1.43 3.41 -1.26 -4.97 113.62 118.57 1uaq n SER 116 Ca -0.18 -2.78 0.06 0.00 -0.26 0.00 0.00 58.87 55.72 1uaq n SER 116 Cb 0.57 0.04 0.29 0.00 -0.26 0.00 0.00 64.21 64.84 1uaq n SER 116 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1uaq n LYS 117 N -1.56 0.01 0.17 4.33 5.02 -1.26 -3.31 118.16 121.57 1uaq n LYS 117 Ca -0.06 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.52 1uaq n LYS 117 Cb 0.57 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.38 1uaq n LYS 117 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1uaq h GLY 118 N 2.29 0.00 0.90 0.72 0.00 -1.86 -1.75 103.07 103.37 1uaq h GLY 118 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1uaq h GLY 118 CO 0.00 0.00 0.17 -2.09 0.00 0.00 0.00 176.54 174.62 1uaq h GLU 119 N 0.00 0.33 -0.10 4.80 4.81 -1.77 0.94 114.58 123.60 1uaq h GLU 119 Ca -0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 1uaq h GLU 119 Cb 0.87 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1uaq h GLU 119 CO 0.06 0.22 -0.61 -0.22 -0.73 0.00 0.00 179.01 177.73 1uaq h LYS 120 N 0.34 0.36 -0.73 1.92 3.64 -1.78 -3.09 116.57 117.24 1uaq h LYS 120 Ca 0.12 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1uaq h LYS 120 Cb 0.02 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1uaq h LYS 120 CO -0.07 0.86 0.23 -0.92 -2.27 0.00 0.00 179.45 177.28 1uaq h TYR 121 N 0.27 1.17 -0.86 1.91 3.20 -0.69 -1.10 116.97 120.87 1uaq h TYR 121 Ca -0.01 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 61.84 1uaq h TYR 121 Cb 1.14 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1uaq h TYR 121 CO 0.03 0.92 0.51 -0.07 -1.64 0.00 0.00 178.16 177.92 1uaq h LEU 122 N 1.09 0.76 -0.31 2.82 3.38 -0.75 -0.06 115.31 122.23 1uaq h LEU 122 Ca 0.24 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 1uaq h LEU 122 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1uaq h LEU 122 CO -0.01 0.45 -0.26 1.56 0.09 0.00 0.00 178.44 180.27 1uaq h GLN 123 N 0.87 0.71 0.00 1.13 4.20 -1.32 0.92 115.11 121.63 1uaq h GLN 123 Ca 0.40 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1uaq h GLN 123 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1uaq h GLN 123 CO -0.23 0.97 -0.07 1.79 -0.67 0.00 0.00 178.83 180.62 1uaq h THR 124 N 0.47 0.91 -0.15 -0.54 1.35 -0.55 -0.27 112.91 114.13 1uaq h THR 124 Ca 0.05 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1uaq h THR 124 Cb 0.82 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1uaq h THR 124 CO 0.07 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 175.95 1uaq n ARG 125 N -4.25 1.59 -0.04 4.72 5.12 -0.10 -4.91 116.66 118.79 1uaq n ARG 125 Ca -0.03 -0.89 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 1uaq n ARG 125 Cb 0.16 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1uaq n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uaq n GLY 126 N 1.05 0.67 3.89 -0.13 0.00 -0.11 -5.06 105.19 105.50 1uaq n GLY 126 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1uaq n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uaq s HIS 127 N -2.06 3.47 -0.21 1.61 3.76 0.27 -4.99 115.29 117.14 1uaq s HIS 127 Ca 0.00 0.78 -0.13 0.00 -0.15 0.00 0.00 55.06 55.56 1uaq s HIS 127 Cb 0.00 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1uaq s HIS 127 CO 0.00 0.12 0.29 -2.00 -0.85 0.00 0.00 174.74 172.30 1uaq s GLU 128 N -3.50 4.15 -0.16 1.40 2.12 -0.42 -3.93 118.70 118.37 1uaq s GLU 128 Ca 0.46 0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 1uaq s GLU 128 Cb -0.11 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 1uaq s GLU 128 CO 0.29 0.05 -0.11 0.08 -0.54 0.00 0.00 175.26 175.03 1uaq s VAL 129 N 1.06 3.09 -0.18 3.70 1.01 -1.26 -0.86 120.40 126.96 1uaq s VAL 129 Ca 0.14 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1uaq s VAL 129 Cb -0.14 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1uaq s VAL 129 CO 0.06 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 1uaq s VAL 130 N 0.76 1.86 -0.38 2.92 1.01 -0.55 -5.00 120.40 121.02 1uaq s VAL 130 Ca -0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1uaq s VAL 130 Cb -0.15 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1uaq s VAL 130 CO 0.01 0.44 0.27 -0.69 0.00 0.00 0.00 175.10 175.14 1uaq s VAL 131 N 1.36 5.25 -0.49 2.92 1.01 -1.26 -0.13 120.40 129.05 1uaq s VAL 131 Ca 0.04 -0.49 0.24 0.00 0.00 0.00 0.00 61.98 61.76 1uaq s VAL 131 Cb -0.14 -3.83 0.33 0.00 0.00 0.00 0.00 36.38 32.75 1uaq s VAL 131 CO -0.11 -0.19 1.64 -0.37 0.00 0.00 0.00 175.10 176.07 1uaq h VAL 132 N 5.58 0.00 -5.81 2.92 -1.51 -0.92 -3.48 116.25 113.02 1uaq h VAL 132 Ca -0.29 -0.91 -0.36 0.00 -1.23 0.00 0.00 66.70 63.91 1uaq h VAL 132 Cb 1.13 1.91 0.13 0.00 -2.13 0.00 0.00 31.29 32.34 1uaq h VAL 132 CO 0.69 0.00 -0.82 -0.67 -1.23 0.00 0.00 177.57 175.54 1uaq n ASP 133 N -2.96 -2.71 -4.67 4.19 2.03 -0.06 -4.94 116.55 107.43 1uaq n ASP 133 Ca 0.04 -0.73 -0.43 0.00 0.52 0.00 0.00 54.79 54.19 1uaq n ASP 133 Cb 0.51 -4.64 -0.02 0.00 -0.72 0.00 0.00 41.12 36.25 1uaq n ASP 133 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1uaq s ASP 134 N -4.14 7.01 0.42 1.67 -1.08 0.11 -4.93 116.67 115.72 1uaq s ASP 134 Ca 0.11 1.71 0.17 0.00 -0.52 0.00 0.00 52.55 54.01 1uaq s ASP 134 Cb -0.02 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.81 1uaq s ASP 134 CO 0.77 -0.68 1.90 -0.33 0.52 0.00 0.00 175.17 177.36 1uaq h GLU 135 N 7.82 0.00 -0.55 4.34 4.39 -1.92 -2.59 114.58 126.08 1uaq h GLU 135 Ca -0.29 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.33 1uaq h GLU 135 Cb 1.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1uaq h GLU 135 CO 0.93 0.28 0.04 0.00 -1.16 0.00 0.00 179.01 179.10 1uaq h ARG 136 N 0.00 0.95 -0.16 2.33 3.08 -1.98 -1.39 114.38 117.20 1uaq h ARG 136 Ca -0.00 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1uaq h ARG 136 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1uaq h ARG 136 CO 0.04 0.94 -0.01 0.00 -1.07 0.00 0.00 179.97 179.87 1uaq h LYS 138 N 0.02 0.94 -0.06 0.00 1.57 -1.39 -2.02 116.57 115.62 1uaq h LYS 138 Ca 0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1uaq h LYS 138 Cb 0.40 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1uaq h LYS 138 CO 0.01 0.62 0.03 -0.22 -0.57 0.00 0.00 179.45 179.32 1uaq h LYS 139 N 0.97 0.09 -0.25 3.15 3.64 -1.17 0.02 116.57 123.01 1uaq h LYS 139 Ca 0.33 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1uaq h LYS 139 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1uaq h LYS 139 CO -0.13 0.17 -0.31 0.97 -2.27 0.00 0.00 179.45 177.89 1uaq h ILE 140 N -0.02 1.28 0.06 2.00 2.10 -1.30 -1.65 117.51 119.96 1uaq h ILE 140 Ca 0.02 -1.39 -0.24 0.00 1.08 0.00 0.00 64.86 64.33 1uaq h ILE 140 Cb 0.12 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1uaq h ILE 140 CO -0.00 0.44 -1.06 0.24 -1.08 0.00 0.00 178.15 176.69 1uaq h MET 141 N 0.45 0.31 -0.80 2.19 2.86 -1.35 -2.46 114.93 116.13 1uaq h MET 141 Ca 0.06 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.25 1uaq h MET 141 Cb 0.76 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 1uaq h MET 141 CO 0.06 1.13 0.36 -0.22 1.06 0.00 0.00 176.91 179.30 1uaq h LYS 142 N 0.14 1.17 -0.57 1.72 3.64 -0.81 -1.55 116.57 120.31 1uaq h LYS 142 Ca -0.10 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1uaq h LYS 142 Cb 1.74 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 1uaq h LYS 142 CO 0.18 0.92 0.17 0.37 -2.27 0.00 0.00 179.45 178.82 1uaq h GLN 143 N 1.16 0.90 -0.44 1.90 4.15 -1.25 -1.23 115.11 120.29 1uaq h GLN 143 Ca 0.27 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1uaq h GLN 143 Cb 0.16 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1uaq h GLN 143 CO -0.03 0.82 0.13 0.35 -1.93 0.00 0.00 178.83 178.16 1uaq h PHE 144 N 0.81 0.72 -0.45 3.99 3.57 -1.09 -1.45 116.94 123.04 1uaq h PHE 144 Ca 0.18 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1uaq h PHE 144 Cb 0.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1uaq h PHE 144 CO 0.02 0.66 0.04 0.82 -2.23 0.00 0.00 178.31 177.61 1uaq h ILE 145 N 0.58 1.22 -0.14 1.41 2.04 -1.16 0.19 117.51 121.66 1uaq h ILE 145 Ca 0.14 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1uaq h ILE 145 Cb 0.28 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1uaq h ILE 145 CO -0.00 0.31 -0.11 0.44 0.00 0.00 0.00 178.15 178.79 1uaq h ASP 146 N 0.68 0.34 0.21 1.72 3.32 -1.01 -3.01 116.42 118.66 1uaq h ASP 146 Ca 0.14 -0.46 -0.30 0.00 0.02 0.00 0.00 57.03 56.43 1uaq h ASP 146 Cb 0.37 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.85 1uaq h ASP 146 CO 0.01 0.73 -1.28 -0.33 -1.72 0.00 0.00 179.24 176.65 1uaq h GLU 147 N -0.04 0.57 -2.16 3.56 5.08 -1.20 -3.40 114.58 117.00 1uaq h GLU 147 Ca 0.03 -0.80 -0.57 0.00 -1.00 0.00 0.00 59.36 57.01 1uaq h GLU 147 Cb 0.62 0.27 -0.41 0.00 0.50 0.00 0.00 28.75 29.73 1uaq h GLU 147 CO 0.03 1.37 -0.78 0.54 -1.00 0.00 0.00 179.01 179.16 1uaq n ARG 148 N -3.75 2.21 -0.30 2.33 1.74 0.66 -4.94 116.66 114.61 1uaq n ARG 148 Ca -0.13 -4.30 0.05 0.00 -0.77 0.00 0.00 57.85 52.70 1uaq n ARG 148 Cb 1.01 -1.99 0.26 0.00 -1.02 0.00 0.00 32.46 30.71 1uaq n ARG 148 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1uaq h PRO 149 N 3.62 0.96 -0.34 5.56 0.13 -1.69 -2.21 132.00 138.03 1uaq h PRO 149 Ca 0.14 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.08 1uaq h PRO 149 Cb 0.69 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1uaq h PRO 149 CO 0.72 0.63 -0.35 -0.56 -0.23 0.00 0.00 178.00 178.22 1uaq h GLN 150 N 0.99 0.77 -0.48 0.86 -0.00 -1.92 -1.62 115.11 113.71 1uaq h GLN 150 Ca 0.40 -0.37 -0.13 0.00 -0.00 0.00 0.00 58.65 58.55 1uaq h GLN 150 Cb 0.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1uaq h GLN 150 CO -0.16 1.00 -0.20 -0.44 -0.00 0.00 0.00 178.83 179.02 1uaq h ASP 151 N 0.64 0.99 -0.28 0.06 3.32 -1.89 -2.24 116.42 117.03 1uaq h ASP 151 Ca 0.06 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1uaq h ASP 151 Cb 0.89 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1uaq h ASP 151 CO 0.08 1.16 0.11 -0.25 -1.72 0.00 0.00 179.24 178.62 1uaq h TRP 152 N 0.84 0.42 -0.77 4.55 -0.00 -1.17 -2.11 115.95 117.71 1uaq h TRP 152 Ca 0.11 -0.03 0.05 0.00 -0.00 0.00 0.00 58.89 59.03 1uaq h TRP 152 Cb 0.77 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.76 1uaq h TRP 152 CO 0.05 0.41 0.50 0.74 -0.00 0.00 0.00 178.44 180.15 1uaq h PHE 153 N 0.30 0.86 -0.64 2.65 0.05 -1.18 -1.74 116.94 117.24 1uaq h PHE 153 Ca 0.09 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.83 1uaq h PHE 153 Cb 0.17 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.81 1uaq h PHE 153 CO -0.01 0.47 0.09 1.49 -0.18 0.00 0.00 178.31 180.18 1uaq h GLU 154 N 0.87 1.05 0.00 1.51 4.81 -1.04 0.22 114.58 121.99 1uaq h GLU 154 Ca 0.32 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1uaq h GLU 154 Cb 0.17 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1uaq h GLU 154 CO -0.10 0.97 -0.05 0.22 -0.73 0.00 0.00 179.01 179.32 1uaq h ASP 155 N 0.98 0.00 -0.22 1.04 -0.00 -0.65 -2.41 116.42 115.16 1uaq h ASP 155 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.20 1uaq h ASP 155 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.75 1uaq h ASP 155 CO 0.01 0.05 -0.02 2.30 -0.00 0.00 0.00 179.24 181.59 1uaq n ILE 156 N -3.30 2.25 -2.19 2.25 -5.35 -0.95 -4.97 119.36 107.11 1uaq n ILE 156 Ca -0.01 -2.10 -0.16 0.00 -0.27 0.00 0.00 62.75 60.20 1uaq n ILE 156 Cb 0.21 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 37.83 1uaq n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uaq n GLY 157 N -0.79 -0.02 0.53 3.28 0.00 -0.82 -5.05 105.19 102.31 1uaq n GLY 157 Ca 0.22 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1uaq n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50