#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ou4 s THR 2 N 0.00 2.64 0.53 0.00 -4.23 -0.74 -4.99 115.64 108.86 1ou4 s THR 2 Ca 0.00 -1.66 0.35 0.00 -1.18 0.00 0.00 61.69 59.20 1ou4 s THR 2 Cb 0.00 -2.98 0.53 0.00 1.34 0.00 0.00 72.50 71.39 1ou4 s THR 2 CO 0.00 -0.08 1.81 -0.65 -0.54 0.00 0.00 174.62 175.16 1ou4 h PRO 3 N 1.43 0.03 0.00 3.99 0.11 -2.01 -2.55 132.00 133.00 1ou4 h PRO 3 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ou4 h PRO 3 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ou4 h PRO 3 CO 0.65 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 179.18 1ou4 n HIS 4 N -4.22 0.00 -3.52 0.65 8.25 -1.26 -4.97 115.22 110.15 1ou4 n HIS 4 Ca 0.25 -0.41 -0.20 0.00 -0.26 0.00 0.00 57.72 57.09 1ou4 n HIS 4 Cb 1.19 -0.04 -0.14 0.00 1.12 0.00 0.00 29.99 32.12 1ou4 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ou4 s ILE 5 N -0.83 -0.26 -1.02 1.59 1.01 -0.96 -4.76 121.20 115.97 1ou4 s ILE 5 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1ou4 s ILE 5 Cb 0.00 -0.67 0.13 0.00 0.01 0.00 0.00 42.46 41.93 1ou4 s ILE 5 CO 0.00 -0.25 1.26 0.21 0.00 0.00 0.00 174.94 176.16 1ou4 s ASN 6 N 2.28 6.73 0.39 3.58 3.04 -1.26 -1.79 114.94 127.90 1ou4 s ASN 6 Ca 0.06 -2.22 -0.11 0.00 0.04 0.00 0.00 52.86 50.63 1ou4 s ASN 6 Cb -0.16 -2.43 0.04 0.00 -1.54 0.00 0.00 41.25 37.17 1ou4 s ASN 6 CO -0.13 -1.04 0.71 0.00 -3.04 0.00 0.00 177.10 173.60 1ou4 s ALA 7 N 2.73 -0.22 0.11 1.71 0.00 -1.26 -4.63 121.76 120.21 1ou4 s ALA 7 Ca 0.37 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1ou4 s ALA 7 Cb -0.03 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1ou4 s ALA 7 CO -0.07 -0.92 -0.12 -2.00 0.00 0.00 0.00 175.76 172.65 1ou4 s GLU 8 N -2.35 0.96 -0.27 0.00 2.56 -1.26 -2.61 118.70 115.72 1ou4 s GLU 8 Ca 0.20 -1.22 -0.39 0.00 0.00 0.00 0.00 54.97 53.56 1ou4 s GLU 8 Cb -0.04 -0.75 -0.15 0.00 2.00 0.00 0.00 34.13 35.19 1ou4 s GLU 8 CO 0.15 0.13 1.79 -0.12 -0.56 0.00 0.00 175.26 176.66 1ou4 n MET 9 N 0.49 1.22 0.00 4.30 0.00 -1.26 -1.01 117.12 120.87 1ou4 n MET 9 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1ou4 n MET 9 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 33.22 31.63 1ou4 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ou4 n GLY 10 N 4.42 2.08 0.22 -5.12 0.00 -1.26 -4.96 105.19 100.55 1ou4 n GLY 10 Ca 0.27 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 1ou4 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ou4 h ASP 11 N 0.20 0.00 -3.38 1.61 3.32 -1.44 -3.44 116.42 113.28 1ou4 h ASP 11 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1ou4 h ASP 11 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1ou4 h ASP 11 CO 0.00 0.19 -0.67 -0.36 -1.72 0.00 0.00 179.24 176.68 1ou4 s PHE 12 N -3.42 2.98 1.08 4.55 0.40 -1.26 -4.71 117.98 117.59 1ou4 s PHE 12 Ca 0.03 -0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.16 1ou4 s PHE 12 Cb 0.08 -1.55 0.25 0.00 0.51 0.00 0.00 43.02 42.31 1ou4 s PHE 12 CO 0.65 0.47 1.25 0.00 0.70 0.00 0.00 175.22 178.28 1ou4 s ALA 13 N -1.26 1.55 -1.86 5.36 0.00 -1.26 -4.94 121.76 119.35 1ou4 s ALA 13 Ca 0.24 -1.16 0.30 0.00 0.00 0.00 0.00 51.96 51.34 1ou4 s ALA 13 Cb -0.12 -2.80 1.42 0.00 0.00 0.00 0.00 23.12 21.63 1ou4 s ALA 13 CO 0.16 -2.97 1.96 -0.40 0.00 0.00 0.00 175.76 174.52 1ou4 n ASP 14 N -4.21 0.46 -4.10 0.00 3.85 -1.26 -4.61 116.55 106.68 1ou4 n ASP 14 Ca 0.15 -0.80 -0.21 0.00 -0.71 0.00 0.00 54.79 53.22 1ou4 n ASP 14 Cb 0.59 -0.06 -0.14 0.00 -1.35 0.00 0.00 41.12 40.16 1ou4 n ASP 14 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1ou4 s VAL 15 N -2.27 1.01 -0.03 2.12 -7.23 -1.26 0.20 120.40 112.94 1ou4 s VAL 15 Ca 0.36 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1ou4 s VAL 15 Cb 0.21 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 36.30 1ou4 s VAL 15 CO 0.42 0.17 0.03 -0.69 -0.31 0.00 0.00 175.10 174.72 1ou4 s VAL 16 N -0.50 -0.02 -0.04 1.32 1.01 0.02 -3.11 120.40 119.08 1ou4 s VAL 16 Ca 0.03 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1ou4 s VAL 16 Cb -0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1ou4 s VAL 16 CO 0.00 0.13 0.52 -0.76 0.00 0.00 0.00 175.10 174.99 1ou4 s LEU 17 N 1.41 4.38 -0.17 3.92 1.02 -0.33 -0.80 118.68 128.12 1ou4 s LEU 17 Ca -0.05 1.00 -0.03 0.00 0.02 0.00 0.00 54.13 55.08 1ou4 s LEU 17 Cb -0.13 -2.77 0.05 0.00 0.02 0.00 0.00 46.19 43.36 1ou4 s LEU 17 CO -0.03 0.11 0.03 -0.04 0.02 0.00 0.00 176.35 176.44 1ou4 s MET 18 N -0.10 0.65 0.65 1.70 -1.94 0.23 -2.07 119.30 118.42 1ou4 s MET 18 Ca 0.28 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 1ou4 s MET 18 Cb -0.17 -1.88 0.09 0.00 2.01 0.00 0.00 34.83 34.88 1ou4 s MET 18 CO 0.14 -0.57 0.90 -1.25 -0.01 0.00 0.00 175.02 174.23 1ou4 s PRO 19 N 1.88 2.03 -0.05 2.03 0.04 -1.25 -1.69 135.00 138.00 1ou4 s PRO 19 Ca 0.00 -1.02 -0.21 0.00 0.04 0.00 0.00 61.00 59.82 1ou4 s PRO 19 Cb -0.16 -2.40 -0.31 0.00 0.04 0.00 0.00 34.50 31.67 1ou4 s PRO 19 CO -0.07 -1.15 0.86 0.78 0.04 0.00 0.00 177.00 177.45 1ou4 h GLY 20 N -0.27 0.35 -4.88 0.56 0.00 -1.84 -2.00 103.07 94.98 1ou4 h GLY 20 Ca -0.38 -0.89 -0.57 0.00 0.00 0.00 0.00 47.33 45.49 1ou4 h GLY 20 CO 0.45 0.78 0.67 -0.35 0.00 0.00 0.00 176.54 178.08 1ou4 s ASP 21 N -7.01 7.18 0.53 0.19 2.15 -1.26 -2.46 116.67 115.98 1ou4 s ASP 21 Ca -0.14 1.46 0.18 0.00 0.43 0.00 0.00 52.55 54.48 1ou4 s ASP 21 Cb 0.01 -2.55 1.32 0.00 -0.30 0.00 0.00 42.92 41.41 1ou4 s ASP 21 CO 0.83 -0.55 2.13 -0.65 -0.17 0.00 0.00 175.17 176.76 1ou4 h PRO 22 N 7.26 0.00 0.00 4.34 0.11 -1.89 -1.41 132.00 140.41 1ou4 h PRO 22 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1ou4 h PRO 22 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ou4 h PRO 22 CO 0.91 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.45 1ou4 h LEU 23 N 0.00 0.00 -0.02 2.35 3.38 -1.92 -2.99 115.31 116.12 1ou4 h LEU 23 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 1ou4 h LEU 23 Cb 0.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ou4 h LEU 23 CO -0.00 0.18 -1.06 0.03 0.09 0.00 0.00 178.44 177.69 1ou4 h ARG 24 N 0.00 0.64 -0.53 1.13 2.47 -1.66 -2.23 114.38 114.20 1ou4 h ARG 24 Ca -0.00 -0.71 0.04 0.00 -1.26 0.00 0.00 59.98 58.05 1ou4 h ARG 24 Cb 0.93 0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 29.42 1ou4 h ARG 24 CO 0.02 1.30 0.28 0.00 0.56 0.00 0.00 179.97 182.13 1ou4 h ALA 25 N 0.45 0.68 -0.07 0.04 0.00 -1.43 0.12 119.26 119.05 1ou4 h ALA 25 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ou4 h ALA 25 Cb 1.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1ou4 h ALA 25 CO 0.20 -0.05 0.04 -0.22 0.00 0.00 0.00 179.25 179.22 1ou4 h LYS 26 N 0.54 0.09 -0.82 0.00 3.64 -1.51 -1.19 116.57 117.31 1ou4 h LYS 26 Ca 0.23 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1ou4 h LYS 26 Cb 0.12 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1ou4 h LYS 26 CO -0.15 0.07 0.54 -0.92 -2.27 0.00 0.00 179.45 176.72 1ou4 h TYR 27 N 0.08 0.90 -0.49 1.91 5.03 -0.88 -1.59 116.97 121.93 1ou4 h TYR 27 Ca 0.02 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.25 1ou4 h TYR 27 Cb -0.00 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 37.97 1ou4 h TYR 27 CO -0.07 0.46 -0.11 0.82 -1.32 0.00 0.00 178.16 177.94 1ou4 h ILE 28 N 0.87 1.27 0.00 1.81 2.04 -0.40 -0.78 117.51 122.32 1ou4 h ILE 28 Ca 0.36 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1ou4 h ILE 28 Cb 0.27 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1ou4 h ILE 28 CO -0.13 0.43 -0.32 0.00 0.00 0.00 0.00 178.15 178.13 1ou4 h ALA 29 N 0.90 1.30 0.00 1.87 0.00 -0.52 0.18 119.26 122.99 1ou4 h ALA 29 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ou4 h ALA 29 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ou4 h ALA 29 CO 0.05 0.40 -0.73 0.93 0.00 0.00 0.00 179.25 179.89 1ou4 h GLU 30 N 0.00 0.00 0.00 0.00 5.08 -1.04 -3.12 114.58 115.50 1ou4 h GLU 30 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1ou4 h GLU 30 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ou4 h GLU 30 CO 0.04 0.00 -1.79 2.41 -1.00 0.00 0.00 179.01 178.67 1ou4 n THR 31 N -2.63 0.31 0.00 1.13 -1.04 -0.32 -4.77 114.28 106.95 1ou4 n THR 31 Ca 0.01 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1ou4 n THR 31 Cb 0.52 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1ou4 n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ou4 n PHE 32 N -2.19 0.00 -4.63 -1.42 3.01 0.03 -5.07 117.46 107.18 1ou4 n PHE 32 Ca -0.09 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.04 1ou4 n PHE 32 Cb 0.58 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.94 1ou4 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ou4 s LEU 33 N -1.36 3.07 -0.06 4.37 1.43 -1.18 -4.68 118.68 120.27 1ou4 s LEU 33 Ca 0.00 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1ou4 s LEU 33 Cb 0.00 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1ou4 s LEU 33 CO 0.00 0.34 0.21 -1.61 0.23 0.00 0.00 176.35 175.52 1ou4 s GLU 34 N -0.97 3.54 -1.58 1.70 2.02 -0.36 -4.26 118.70 118.79 1ou4 s GLU 34 Ca 0.13 -0.07 -0.04 0.00 0.02 0.00 0.00 54.97 55.01 1ou4 s GLU 34 Cb -0.11 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1ou4 s GLU 34 CO 0.03 0.72 0.56 -0.25 0.02 0.00 0.00 175.26 176.34 1ou4 n ASP 35 N 1.62 -6.07 -4.67 -0.19 9.92 -1.26 -1.79 116.55 114.11 1ou4 n ASP 35 Ca -0.16 -0.27 -0.45 0.00 -0.53 0.00 0.00 54.79 53.38 1ou4 n ASP 35 Cb 0.54 -4.92 -0.03 0.00 -0.64 0.00 0.00 41.12 36.07 1ou4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ou4 n ALA 36 N -3.45 1.05 -3.61 2.24 0.00 -1.26 -4.61 120.51 110.86 1ou4 n ALA 36 Ca -0.12 0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 1ou4 n ALA 36 Cb 0.62 -2.27 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 1ou4 n ALA 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ou4 s ARG 37 N -0.20 0.88 -0.07 0.00 3.52 -0.89 -4.96 118.95 117.23 1ou4 s ARG 37 Ca 0.70 -0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.88 1ou4 s ARG 37 Cb -0.67 -0.87 -0.03 0.00 -1.56 0.00 0.00 34.95 31.82 1ou4 s ARG 37 CO 0.48 -0.07 1.20 -2.00 -0.81 0.00 0.00 175.30 174.10 1ou4 s GLU 38 N 0.89 4.34 0.00 5.12 2.12 -1.26 -1.38 118.70 128.53 1ou4 s GLU 38 Ca -0.11 1.67 0.09 0.00 0.36 0.00 0.00 54.97 56.97 1ou4 s GLU 38 Cb -0.14 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1ou4 s GLU 38 CO 0.00 -0.47 0.51 1.33 -0.54 0.00 0.00 175.26 176.09 1ou4 n VAL 39 N 4.69 0.00 -3.56 3.70 0.24 0.14 -4.98 118.33 118.56 1ou4 n VAL 39 Ca 0.11 -0.38 -0.17 0.00 -2.04 0.00 0.00 64.34 61.87 1ou4 n VAL 39 Cb 0.46 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 1ou4 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1ou4 s ASN 40 N -1.40 -0.66 0.00 -1.34 2.47 -1.19 -4.44 114.94 108.38 1ou4 s ASN 40 Ca 0.06 0.89 0.00 0.00 0.42 0.00 0.00 52.86 54.23 1ou4 s ASN 40 Cb 0.07 0.78 0.00 0.00 -1.45 0.00 0.00 41.25 40.65 1ou4 s ASN 40 CO 0.25 -0.50 0.23 -0.46 -3.72 0.00 0.00 177.10 172.91 1ou4 n ASN 41 N 1.44 0.00 -4.74 -4.21 6.94 -1.26 -1.89 115.26 111.54 1ou4 n ASN 41 Ca -0.18 -1.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.96 1ou4 n ASN 41 Cb 0.56 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.96 1ou4 n ASN 41 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ou4 s VAL 42 N 0.00 2.08 0.00 3.53 1.01 -1.26 -0.82 120.40 124.94 1ou4 s VAL 42 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ou4 s VAL 42 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1ou4 s VAL 42 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 175.10 175.65 1ou4 n ARG 43 N 2.84 -1.67 -0.79 2.72 1.74 -1.26 -1.63 116.66 118.60 1ou4 n ARG 43 Ca 0.11 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1ou4 n ARG 43 Cb 0.37 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 1ou4 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ou4 n GLY 44 N 0.49 0.72 3.48 -0.13 0.00 -0.00 -4.96 105.19 104.78 1ou4 n GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ou4 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ou4 n MET 45 N -2.48 3.23 -1.63 1.61 0.00 -0.65 -4.86 117.12 112.34 1ou4 n MET 45 Ca 0.00 -3.37 -0.49 0.00 0.00 0.00 0.00 57.70 53.83 1ou4 n MET 45 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 33.22 29.81 1ou4 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1ou4 n LEU 46 N 7.48 2.29 -4.09 -0.89 4.77 -1.26 -4.33 117.00 120.97 1ou4 n LEU 46 Ca 0.46 1.10 -0.24 0.00 -0.03 0.00 0.00 56.01 57.30 1ou4 n LEU 46 Cb 0.44 -1.30 -0.16 0.00 -2.33 0.00 0.00 43.42 40.08 1ou4 n LEU 46 CO 0.75 -0.71 -0.48 -0.83 -1.33 0.00 0.00 177.39 174.79 1ou4 s GLY 47 N 0.70 0.78 0.07 -0.72 0.00 -0.79 -3.04 107.32 104.32 1ou4 s GLY 47 Ca 0.82 -0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1ou4 s GLY 47 CO 0.43 -0.27 -0.12 -1.36 0.00 0.00 0.00 173.10 171.78 1ou4 s PHE 48 N 0.08 1.07 -0.07 1.90 0.08 0.13 0.28 117.98 121.44 1ou4 s PHE 48 Ca -0.03 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 1ou4 s PHE 48 Cb -0.10 -0.61 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 1ou4 s PHE 48 CO 0.01 0.02 -0.02 0.99 -0.10 0.00 0.00 175.22 176.13 1ou4 s THR 49 N -1.39 0.49 0.00 0.64 2.01 -0.48 0.24 115.64 117.15 1ou4 s THR 49 Ca -0.03 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ou4 s THR 49 Cb -0.09 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1ou4 s THR 49 CO 0.02 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1ou4 n GLY 50 N 4.97 5.33 2.96 4.40 0.00 0.83 -2.09 105.19 121.58 1ou4 n GLY 50 Ca -0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1ou4 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ou4 s THR 51 N 1.27 0.26 -0.17 2.61 2.01 -0.74 -1.79 115.64 119.09 1ou4 s THR 51 Ca 0.00 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1ou4 s THR 51 Cb 0.00 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.26 1ou4 s THR 51 CO 0.00 -0.17 0.01 -0.47 -0.69 0.00 0.00 174.62 173.29 1ou4 s TYR 52 N -0.69 1.21 -1.66 4.92 6.14 0.74 -1.22 117.35 126.78 1ou4 s TYR 52 Ca -0.05 -0.87 -0.17 0.00 0.64 0.00 0.00 57.07 56.61 1ou4 s TYR 52 Cb -0.05 -1.09 0.14 0.00 0.42 0.00 0.00 41.96 41.38 1ou4 s TYR 52 CO -0.00 -0.58 0.85 1.63 0.64 0.00 0.00 175.55 178.09 1ou4 n LYS 53 N 5.00 -3.87 0.00 4.97 5.02 -1.26 -0.32 118.16 127.71 1ou4 n LYS 53 Ca -0.09 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1ou4 n LYS 53 Cb 0.47 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 1ou4 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ou4 n GLY 54 N -1.48 2.97 3.72 0.72 0.00 -1.26 -5.04 105.19 104.82 1ou4 n GLY 54 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ou4 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ou4 s ARG 55 N -0.16 4.53 0.14 1.61 0.52 0.57 -4.98 118.95 121.17 1ou4 s ARG 55 Ca 0.00 1.57 -0.31 0.00 -0.52 0.00 0.00 55.73 56.48 1ou4 s ARG 55 Cb 0.00 -3.40 -0.08 0.00 0.52 0.00 0.00 34.95 32.00 1ou4 s ARG 55 CO 0.00 -0.09 1.34 0.21 0.02 0.00 0.00 175.30 176.78 1ou4 s LYS 56 N 0.80 4.36 -0.01 3.54 2.20 -1.26 -0.19 119.74 129.18 1ou4 s LYS 56 Ca 0.54 2.03 -0.06 0.00 -0.36 0.00 0.00 55.97 58.12 1ou4 s LYS 56 Cb -0.25 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1ou4 s LYS 56 CO 0.29 -0.35 0.12 0.42 -0.36 0.00 0.00 175.35 175.47 1ou4 s ILE 57 N 0.77 0.07 0.15 5.43 -1.09 -0.74 -4.74 121.20 121.05 1ou4 s ILE 57 Ca 0.61 -0.54 0.09 0.00 -2.23 0.00 0.00 60.65 58.59 1ou4 s ILE 57 Cb -0.36 -0.36 -0.04 0.00 -1.58 0.00 0.00 42.46 40.12 1ou4 s ILE 57 CO 0.33 -0.30 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.08 1ou4 s SER 58 N -1.02 2.91 -0.10 3.58 0.01 -1.18 -0.12 113.70 117.78 1ou4 s SER 58 Ca -0.11 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 1ou4 s SER 58 Cb -0.06 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.03 1ou4 s SER 58 CO 0.01 0.06 0.21 0.54 0.41 0.00 0.00 173.24 174.47 1ou4 s VAL 59 N -1.57 -0.17 -0.15 3.43 0.11 0.14 -1.18 120.40 121.01 1ou4 s VAL 59 Ca 0.14 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.26 1ou4 s VAL 59 Cb -0.08 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1ou4 s VAL 59 CO 0.07 0.09 0.43 -0.32 -3.33 0.00 0.00 175.10 172.04 1ou4 s MET 60 N 1.69 0.52 0.82 1.54 0.00 -0.88 0.18 119.30 123.18 1ou4 s MET 60 Ca -0.05 0.54 -0.11 0.00 0.00 0.00 0.00 55.69 56.07 1ou4 s MET 60 Cb -0.11 0.25 0.08 0.00 0.00 0.00 0.00 34.83 35.05 1ou4 s MET 60 CO -0.07 -0.07 1.09 0.20 0.00 0.00 0.00 175.02 176.16 1ou4 s GLY 61 N 0.09 1.65 0.00 2.11 0.00 -1.17 -3.79 107.32 106.22 1ou4 s GLY 61 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1ou4 s GLY 61 CO 0.01 0.50 0.72 -2.39 0.00 0.00 0.00 173.10 171.94 1ou4 n HIS 62 N -3.64 0.00 -1.50 1.90 1.44 -0.75 -4.90 115.22 107.77 1ou4 n HIS 62 Ca 0.08 -0.24 0.04 0.00 -2.01 0.00 0.00 57.72 55.59 1ou4 n HIS 62 Cb 0.54 -0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.62 1ou4 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ou4 n GLY 63 N -0.24 -2.06 3.76 -1.39 0.00 -1.03 -2.88 105.19 101.35 1ou4 n GLY 63 Ca 0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 1ou4 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ou4 s MET 64 N -0.96 3.41 0.00 1.61 1.00 -1.26 -4.70 119.30 118.40 1ou4 s MET 64 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 55.69 55.42 1ou4 s MET 64 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 34.83 31.77 1ou4 s MET 64 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 175.02 176.06 1ou4 n GLY 65 N 2.41 0.59 0.18 -0.03 0.00 -1.23 -4.43 105.19 102.68 1ou4 n GLY 65 Ca -0.19 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 1ou4 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ou4 h ILE 66 N 0.00 0.75 -0.80 -0.61 2.04 -1.75 -2.64 117.51 114.49 1ou4 h ILE 66 Ca 0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1ou4 h ILE 66 Cb 0.00 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1ou4 h ILE 66 CO 0.00 0.03 0.53 -0.65 0.00 0.00 0.00 178.15 178.06 1ou4 h PRO 67 N 0.19 0.91 0.14 2.37 0.11 -1.91 -1.67 132.00 132.14 1ou4 h PRO 67 Ca 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1ou4 h PRO 67 Cb 0.27 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1ou4 h PRO 67 CO -0.29 0.60 -0.07 1.03 -0.21 0.00 0.00 178.00 179.06 1ou4 h SER 68 N 0.93 -0.16 0.61 -2.05 0.87 -1.69 -3.18 113.55 108.88 1ou4 h SER 68 Ca 0.33 -0.33 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1ou4 h SER 68 Cb 0.13 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1ou4 h SER 68 CO -0.11 0.28 -0.33 0.00 -0.53 0.00 0.00 176.83 176.14 1ou4 h SER 70 N 0.00 0.92 0.31 0.00 0.02 -1.37 -0.23 113.55 113.21 1ou4 h SER 70 Ca -0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1ou4 h SER 70 Cb 0.72 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1ou4 h SER 70 CO 0.04 0.89 -0.15 0.40 -1.14 0.00 0.00 176.83 176.87 1ou4 h ILE 71 N 0.94 0.72 -0.21 3.27 2.04 -1.49 -1.83 117.51 120.94 1ou4 h ILE 71 Ca 0.20 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1ou4 h ILE 71 Cb 0.33 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ou4 h ILE 71 CO -0.00 0.07 0.04 1.88 0.00 0.00 0.00 178.15 180.14 1ou4 h TYR 72 N -0.61 0.37 0.00 1.37 0.05 -1.51 -1.70 116.97 114.94 1ou4 h TYR 72 Ca -0.04 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1ou4 h TYR 72 Cb 0.44 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1ou4 h TYR 72 CO -0.01 0.48 -0.13 1.79 -1.05 0.00 0.00 178.16 179.24 1ou4 h THR 73 N 0.15 1.05 0.11 -2.88 1.35 -1.11 -1.05 112.91 110.54 1ou4 h THR 73 Ca 0.07 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1ou4 h THR 73 Cb 0.30 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1ou4 h THR 73 CO 0.00 0.13 -0.05 0.50 -0.25 0.00 0.00 175.52 175.85 1ou4 h LYS 74 N 0.00 -0.14 -0.93 4.72 3.11 -1.08 -2.71 116.57 119.52 1ou4 h LYS 74 Ca -0.00 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1ou4 h LYS 74 Cb 0.23 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.45 1ou4 h LYS 74 CO 0.02 0.33 0.58 0.93 -2.81 0.00 0.00 179.45 178.49 1ou4 h GLU 75 N -0.71 1.26 -0.81 1.90 5.08 -1.07 -1.37 114.58 118.86 1ou4 h GLU 75 Ca -0.02 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1ou4 h GLU 75 Cb 0.54 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1ou4 h GLU 75 CO 0.03 0.86 0.36 -0.07 -1.00 0.00 0.00 179.01 179.18 1ou4 h LEU 76 N 1.28 1.09 -0.40 1.33 3.38 -1.26 -1.22 115.31 119.52 1ou4 h LEU 76 Ca 0.34 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 1ou4 h LEU 76 Cb -0.09 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 1ou4 h LEU 76 CO -0.07 0.95 -0.72 0.40 0.09 0.00 0.00 178.44 179.09 1ou4 h ILE 77 N 1.17 1.37 0.00 1.22 2.04 -1.10 -2.58 117.51 119.63 1ou4 h ILE 77 Ca 0.27 -2.11 -0.12 0.00 1.00 0.00 0.00 64.86 63.91 1ou4 h ILE 77 Cb 0.17 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1ou4 h ILE 77 CO -0.03 0.64 -1.68 0.35 0.00 0.00 0.00 178.15 177.43 1ou4 n THR 78 N -3.85 0.76 0.02 -0.27 -2.24 -0.56 -4.26 114.28 103.87 1ou4 n THR 78 Ca -0.04 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1ou4 n THR 78 Cb 0.70 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1ou4 n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ou4 n ASP 79 N -2.63 1.06 -0.24 3.42 9.92 -0.47 -4.73 116.55 122.88 1ou4 n ASP 79 Ca -0.10 -1.04 0.01 0.00 -0.53 0.00 0.00 54.79 53.13 1ou4 n ASP 79 Cb 0.76 -0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.26 1ou4 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ou4 n PHE 80 N 0.01 0.00 -2.83 1.24 3.01 -1.08 -4.36 117.46 113.45 1ou4 n PHE 80 Ca 0.00 -0.19 -0.20 0.00 1.01 0.00 0.00 57.45 58.08 1ou4 n PHE 80 Cb 0.02 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1ou4 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ou4 n GLY 81 N -0.25 -0.50 3.71 1.37 0.00 -1.21 -4.67 105.19 103.63 1ou4 n GLY 81 Ca 0.02 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ou4 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ou4 s VAL 82 N -2.96 4.31 -0.23 1.61 1.01 -0.99 -4.66 120.40 118.49 1ou4 s VAL 82 Ca 0.19 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.86 1ou4 s VAL 82 Cb -0.09 -4.06 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 1ou4 s VAL 82 CO 0.23 0.11 -0.08 0.29 0.00 0.00 0.00 175.10 175.65 1ou4 n LYS 83 N 4.08 0.67 -4.72 2.72 4.76 0.13 -4.54 118.16 121.26 1ou4 n LYS 83 Ca 0.08 0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.42 1ou4 n LYS 83 Cb 0.48 -1.55 -0.16 0.00 -1.84 0.00 0.00 35.03 31.95 1ou4 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ou4 s LYS 84 N -2.52 1.68 -0.08 1.97 1.02 -0.33 -2.22 119.74 119.26 1ou4 s LYS 84 Ca -0.29 -0.52 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1ou4 s LYS 84 Cb 0.08 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1ou4 s LYS 84 CO 0.66 0.17 -0.17 0.42 -0.92 0.00 0.00 175.35 175.51 1ou4 s ILE 85 N 0.22 2.80 -0.26 2.17 -1.09 -0.81 -0.80 121.20 123.42 1ou4 s ILE 85 Ca -0.07 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1ou4 s ILE 85 Cb -0.12 -2.10 0.08 0.00 -1.58 0.00 0.00 42.46 38.74 1ou4 s ILE 85 CO 0.03 0.56 0.06 -0.63 -1.23 0.00 0.00 174.94 173.73 1ou4 s ILE 86 N -0.24 0.78 0.04 2.92 1.01 0.02 -2.02 121.20 123.70 1ou4 s ILE 86 Ca 0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1ou4 s ILE 86 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1ou4 s ILE 86 CO 0.03 -0.47 1.05 -0.60 0.00 0.00 0.00 174.94 174.94 1ou4 s ARG 87 N 1.70 4.55 -0.31 2.79 3.52 -0.39 -0.60 118.95 130.21 1ou4 s ARG 87 Ca 0.05 1.54 0.01 0.00 -0.13 0.00 0.00 55.73 57.20 1ou4 s ARG 87 Cb -0.17 -3.40 0.09 0.00 -1.56 0.00 0.00 34.95 29.91 1ou4 s ARG 87 CO -0.18 -0.06 0.06 0.14 -0.81 0.00 0.00 175.30 174.44 1ou4 s VAL 88 N 0.80 1.41 0.00 7.11 -7.23 -0.68 -0.64 120.40 121.16 1ou4 s VAL 88 Ca 0.53 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1ou4 s VAL 88 Cb -0.24 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1ou4 s VAL 88 CO 0.29 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1ou4 n GLY 89 N 4.64 4.04 3.92 2.32 0.00 -0.89 -3.96 105.19 115.26 1ou4 n GLY 89 Ca -0.02 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 1ou4 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ou4 s SER 90 N 0.05 5.71 0.06 1.61 1.04 -1.26 -0.73 113.70 120.18 1ou4 s SER 90 Ca 0.00 -0.28 -0.22 0.00 0.48 0.00 0.00 55.95 55.93 1ou4 s SER 90 Cb 0.00 -1.23 0.05 0.00 0.10 0.00 0.00 66.02 64.95 1ou4 s SER 90 CO 0.00 -0.32 0.52 0.00 0.98 0.00 0.00 173.24 174.42 1ou4 s GLY 92 N -2.07 2.23 0.19 0.00 0.00 -0.05 -1.29 107.32 106.34 1ou4 s GLY 92 Ca -0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1ou4 s GLY 92 CO -0.03 -0.06 0.49 0.00 0.00 0.00 0.00 173.10 173.50 1ou4 s ALA 93 N -0.62 3.65 0.00 3.20 0.00 -1.20 0.39 121.76 127.18 1ou4 s ALA 93 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1ou4 s ALA 93 Cb -0.13 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1ou4 s ALA 93 CO 0.05 0.56 0.00 0.28 0.00 0.00 0.00 175.76 176.66 1ou4 n VAL 94 N -0.01 0.00 -2.88 0.00 0.31 -1.26 -2.54 118.33 111.94 1ou4 n VAL 94 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1ou4 n VAL 94 Cb 0.52 -0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 1ou4 n VAL 94 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ou4 s LEU 95 N -3.58 4.40 0.28 7.52 1.43 -1.26 -4.86 118.68 122.61 1ou4 s LEU 95 Ca 0.00 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 1ou4 s LEU 95 Cb 0.00 -3.34 0.46 0.00 0.03 0.00 0.00 46.19 43.33 1ou4 s LEU 95 CO 0.00 -0.11 1.89 -0.65 0.23 0.00 0.00 176.35 177.70 1ou4 h PRO 96 N 6.27 1.09 0.00 1.29 0.11 -1.99 -2.09 132.00 136.68 1ou4 h PRO 96 Ca -0.42 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ou4 h PRO 96 Cb 1.21 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ou4 h PRO 96 CO 0.73 0.72 0.00 -2.39 -0.21 0.00 0.00 178.00 176.86 1ou4 n HIS 97 N -4.51 0.09 -3.08 0.65 1.44 -1.26 -4.53 115.22 104.02 1ou4 n HIS 97 Ca 0.15 0.03 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 1ou4 n HIS 97 Cb 0.21 -0.55 -0.06 0.00 0.12 0.00 0.00 29.99 29.71 1ou4 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1ou4 s VAL 98 N -3.02 4.76 0.53 0.61 1.01 -0.79 -5.04 120.40 118.46 1ou4 s VAL 98 Ca 0.11 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1ou4 s VAL 98 Cb 0.15 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 32.24 1ou4 s VAL 98 CO 0.43 -0.82 0.73 -1.59 0.00 0.00 0.00 175.10 173.85 1ou4 s LYS 99 N 2.95 2.55 0.80 2.72 0.00 -1.26 -4.79 119.74 122.70 1ou4 s LYS 99 Ca 0.20 -0.99 -0.13 0.00 0.00 0.00 0.00 55.97 55.05 1ou4 s LYS 99 Cb -0.17 -2.57 0.08 0.00 0.00 0.00 0.00 37.83 35.18 1ou4 s LYS 99 CO 0.15 -0.65 1.18 -0.51 0.00 0.00 0.00 175.35 175.53 1ou4 s LEU 100 N -4.66 3.14 0.00 2.77 1.02 -1.26 -2.86 118.68 116.82 1ou4 s LEU 100 Ca 0.58 2.28 0.00 0.00 0.02 0.00 0.00 54.13 57.01 1ou4 s LEU 100 Cb -0.10 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.54 1ou4 s LEU 100 CO 0.37 -2.55 0.00 0.54 0.02 0.00 0.00 176.35 174.74 1ou4 n ARG 101 N -3.28 0.00 -1.82 1.70 1.74 -0.26 -4.97 116.66 109.78 1ou4 n ARG 101 Ca 0.13 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.82 1ou4 n ARG 101 Cb 0.51 -2.00 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 1ou4 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ou4 s ASP 102 N -3.33 5.37 -0.19 0.55 1.11 -1.14 -4.63 116.67 114.42 1ou4 s ASP 102 Ca 0.00 2.75 -0.07 0.00 0.18 0.00 0.00 52.55 55.41 1ou4 s ASP 102 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1ou4 s ASP 102 CO 0.00 -1.50 0.05 -0.69 1.18 0.00 0.00 175.17 174.21 1ou4 s VAL 103 N -1.31 4.55 -0.04 -1.27 1.01 -1.26 -0.87 120.40 121.21 1ou4 s VAL 103 Ca 0.70 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1ou4 s VAL 103 Cb -0.40 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1ou4 s VAL 103 CO 0.47 0.44 -0.24 0.68 0.00 0.00 0.00 175.10 176.45 1ou4 s VAL 104 N 0.65 1.93 -0.23 2.92 -7.23 -0.22 -1.41 120.40 116.81 1ou4 s VAL 104 Ca 0.02 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.11 1ou4 s VAL 104 Cb -0.13 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1ou4 s VAL 104 CO 0.02 0.54 0.07 -0.63 -0.31 0.00 0.00 175.10 174.79 1ou4 s ILE 105 N -0.32 4.41 -0.93 -0.62 -1.09 0.19 -1.40 121.20 121.43 1ou4 s ILE 105 Ca 0.02 -0.15 -0.20 0.00 -2.23 0.00 0.00 60.65 58.09 1ou4 s ILE 105 Cb -0.12 -3.04 0.11 0.00 -1.58 0.00 0.00 42.46 37.83 1ou4 s ILE 105 CO 0.02 0.36 1.19 -0.83 -1.23 0.00 0.00 174.94 174.45 1ou4 s GLY 106 N 1.34 1.73 0.23 6.18 0.00 -0.33 -1.67 107.32 114.80 1ou4 s GLY 106 Ca 0.05 -2.58 -0.04 0.00 0.00 0.00 0.00 44.72 42.15 1ou4 s GLY 106 CO 0.04 2.18 1.70 1.98 0.00 0.00 0.00 173.10 178.99 1ou4 h MET 107 N 9.12 0.81 -4.81 2.90 4.05 -1.25 -3.40 114.93 122.35 1ou4 h MET 107 Ca 0.14 -0.26 -0.33 0.00 -0.28 0.00 0.00 59.70 58.97 1ou4 h MET 107 Cb 1.02 -0.07 -0.15 0.00 -0.80 0.00 0.00 31.60 31.61 1ou4 h MET 107 CO 1.19 0.87 -0.61 0.20 0.23 0.00 0.00 176.91 178.79 1ou4 s GLY 108 N -3.76 1.68 -0.13 1.39 0.00 -1.09 -1.50 107.32 103.92 1ou4 s GLY 108 Ca -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 42.76 1ou4 s GLY 108 CO 0.82 -1.54 0.24 0.00 0.00 0.00 0.00 173.10 172.62 1ou4 s ALA 109 N -3.85 -0.44 0.46 3.20 0.00 -0.48 -2.08 121.76 118.56 1ou4 s ALA 109 Ca 0.38 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 1ou4 s ALA 109 Cb 0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1ou4 s ALA 109 CO 0.14 -0.67 0.75 0.00 0.00 0.00 0.00 175.76 175.97 1ou4 s THR 111 N -2.66 0.01 -0.72 0.00 -1.32 -1.26 0.10 115.64 109.80 1ou4 s THR 111 Ca 0.46 -0.12 0.11 0.00 -1.21 0.00 0.00 61.69 60.94 1ou4 s THR 111 Cb -0.10 -1.03 0.32 0.00 -1.51 0.00 0.00 72.50 70.18 1ou4 s THR 111 CO 0.43 -0.06 1.27 -0.90 -2.21 0.00 0.00 174.62 173.14 1ou4 n ASP 112 N -0.30 3.03 -4.88 8.08 3.85 -1.20 -4.97 116.55 120.15 1ou4 n ASP 112 Ca -0.17 -2.19 -0.30 0.00 -0.71 0.00 0.00 54.79 51.42 1ou4 n ASP 112 Cb 0.64 -0.27 0.01 0.00 -1.35 0.00 0.00 41.12 40.15 1ou4 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1ou4 s SER 113 N -1.19 6.13 0.00 -1.12 0.15 -1.26 -4.91 113.70 111.50 1ou4 s SER 113 Ca 0.25 1.23 0.20 0.00 0.70 0.00 0.00 55.95 58.33 1ou4 s SER 113 Cb 0.15 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1ou4 s SER 113 CO 0.13 -0.85 1.00 0.29 1.20 0.00 0.00 173.24 175.01 1ou4 n LYS 114 N -2.64 1.45 -0.28 5.44 5.02 -1.26 -4.65 118.16 121.24 1ou4 n LYS 114 Ca 0.05 -0.99 0.06 0.00 -2.02 0.00 0.00 58.31 55.41 1ou4 n LYS 114 Cb 0.55 -1.39 0.21 0.00 -0.02 0.00 0.00 35.03 34.37 1ou4 n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1ou4 h VAL 115 N 2.32 0.68 0.00 -0.18 -1.51 -2.00 -1.43 116.25 114.14 1ou4 h VAL 115 Ca 0.00 -0.18 -0.10 0.00 -1.23 0.00 0.00 66.70 65.19 1ou4 h VAL 115 Cb 0.69 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 1ou4 h VAL 115 CO 0.00 0.10 -0.48 0.78 -1.23 0.00 0.00 177.57 176.74 1ou4 h ASN 116 N 0.52 0.00 0.25 4.19 -0.26 -1.93 -2.78 115.58 115.57 1ou4 h ASN 116 Ca 0.44 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 56.02 1ou4 h ASN 116 Cb 0.66 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1ou4 h ASN 116 CO -0.39 0.48 -0.64 0.03 -1.06 0.00 0.00 177.43 175.85 1ou4 h ARG 117 N 0.00 0.37 -0.32 0.81 3.08 -1.56 0.13 114.38 116.90 1ou4 h ARG 117 Ca -0.00 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1ou4 h ARG 117 Cb 1.17 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1ou4 h ARG 117 CO 0.06 0.89 -0.16 0.82 -1.07 0.00 0.00 179.97 180.50 1ou4 h ILE 118 N 0.27 1.25 0.03 2.04 2.04 -1.22 0.28 117.51 122.20 1ou4 h ILE 118 Ca -0.01 -1.14 -0.22 0.00 1.00 0.00 0.00 64.86 64.49 1ou4 h ILE 118 Cb 1.17 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ou4 h ILE 118 CO 0.11 0.37 -0.98 0.03 0.00 0.00 0.00 178.15 177.68 1ou4 h ARG 119 N 0.51 0.19 -0.82 2.37 3.08 -1.22 -3.36 114.38 115.13 1ou4 h ARG 119 Ca 0.09 -0.25 -0.50 0.00 0.07 0.00 0.00 59.98 59.39 1ou4 h ARG 119 Cb 0.58 0.08 -0.27 0.00 0.08 0.00 0.00 29.97 30.44 1ou4 h ARG 119 CO 0.04 1.03 0.38 0.34 -1.07 0.00 0.00 179.97 180.68 1ou4 n PHE 120 N -3.59 2.65 -3.84 3.04 7.35 0.01 -4.94 117.46 118.13 1ou4 n PHE 120 Ca -0.04 -2.25 -0.30 0.00 -0.76 0.00 0.00 57.45 54.09 1ou4 n PHE 120 Cb 0.88 -0.94 0.01 0.00 0.35 0.00 0.00 39.48 39.77 1ou4 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1ou4 n LYS 121 N -1.01 -4.52 -1.34 -4.13 5.02 -1.08 -1.91 118.16 109.19 1ou4 n LYS 121 Ca 0.53 0.53 -0.12 0.00 -2.02 0.00 0.00 58.31 57.24 1ou4 n LYS 121 Cb 1.10 -5.35 -0.05 0.00 -0.02 0.00 0.00 35.03 30.70 1ou4 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ou4 n ASP 122 N -2.66 -4.42 -4.36 4.39 2.03 0.96 -5.02 116.55 107.46 1ou4 n ASP 122 Ca 0.04 0.29 -0.19 0.00 0.52 0.00 0.00 54.79 55.44 1ou4 n ASP 122 Cb 0.52 -2.94 0.02 0.00 -0.72 0.00 0.00 41.12 38.01 1ou4 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ou4 n HIS 123 N -2.66 -1.48 -2.91 -0.67 8.25 -0.80 -5.03 115.22 109.91 1ou4 n HIS 123 Ca -0.12 -1.83 -0.43 0.00 -0.26 0.00 0.00 57.72 55.08 1ou4 n HIS 123 Cb 0.38 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 1ou4 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ou4 s ASP 124 N -3.78 6.46 -0.24 0.41 -0.00 -1.26 -4.64 116.67 113.62 1ou4 s ASP 124 Ca 0.36 0.02 -0.10 0.00 -0.00 0.00 0.00 52.55 52.83 1ou4 s ASP 124 Cb -0.03 -2.41 -0.05 0.00 -0.00 0.00 0.00 42.92 40.44 1ou4 s ASP 124 CO 0.23 -0.94 0.14 0.12 -0.00 0.00 0.00 175.17 174.72 1ou4 s PHE 125 N 3.43 3.27 -0.78 4.23 5.36 -1.26 -5.04 117.98 127.19 1ou4 s PHE 125 Ca 0.32 0.13 -0.24 0.00 -0.96 0.00 0.00 56.93 56.18 1ou4 s PHE 125 Cb -0.12 -2.25 0.06 0.00 -0.34 0.00 0.00 43.02 40.37 1ou4 s PHE 125 CO 0.23 0.01 1.18 0.00 -1.46 0.00 0.00 175.22 175.18 1ou4 s ALA 126 N 1.10 2.94 -0.38 11.12 0.00 -1.26 -4.97 121.76 130.31 1ou4 s ALA 126 Ca 0.07 -1.85 -0.28 0.00 0.00 0.00 0.00 51.96 49.90 1ou4 s ALA 126 Cb -0.14 -4.14 -0.02 0.00 0.00 0.00 0.00 23.12 18.82 1ou4 s ALA 126 CO 0.05 -3.13 1.83 0.00 0.00 0.00 0.00 175.76 174.51 1ou4 s ALA 127 N 4.67 2.72 0.21 0.00 0.00 -1.26 -4.97 121.76 123.12 1ou4 s ALA 127 Ca 0.32 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1ou4 s ALA 127 Cb -0.09 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 18.91 1ou4 s ALA 127 CO 0.06 -2.89 -0.16 0.96 0.00 0.00 0.00 175.76 173.73 1ou4 s ILE 128 N 7.43 1.86 0.57 0.00 -4.36 -1.26 -1.38 121.20 124.06 1ou4 s ILE 128 Ca 0.79 -2.20 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1ou4 s ILE 128 Cb -0.21 -2.05 0.03 0.00 1.25 0.00 0.00 42.46 41.48 1ou4 s ILE 128 CO 0.31 -0.53 0.84 0.00 0.24 0.00 0.00 174.94 175.80 1ou4 s ALA 129 N -2.77 3.57 0.08 2.27 0.00 -0.57 -4.86 121.76 119.49 1ou4 s ALA 129 Ca 0.23 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1ou4 s ALA 129 Cb -0.02 -2.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 1ou4 s ALA 129 CO 0.08 -0.81 1.36 0.34 0.00 0.00 0.00 175.76 176.73 1ou4 s ASP 130 N -4.38 6.87 0.12 0.00 -1.08 -0.92 -4.94 116.67 112.35 1ou4 s ASP 130 Ca 0.55 2.23 -0.23 0.00 -0.52 0.00 0.00 52.55 54.59 1ou4 s ASP 130 Cb -0.10 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 1ou4 s ASP 130 CO 0.41 -0.63 1.67 0.15 0.52 0.00 0.00 175.17 177.29 1ou4 h PHE 131 N 7.00 -0.40 -0.71 -5.34 3.57 -1.96 -2.43 116.94 116.67 1ou4 h PHE 131 Ca -0.41 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.18 1ou4 h PHE 131 Cb 1.20 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 40.07 1ou4 h PHE 131 CO 0.68 -0.23 0.38 -0.44 -2.23 0.00 0.00 178.31 176.47 1ou4 h ASP 132 N -0.22 0.54 -0.78 0.41 3.32 -1.99 -0.27 116.42 117.43 1ou4 h ASP 132 Ca 0.08 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1ou4 h ASP 132 Cb 0.33 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1ou4 h ASP 132 CO -0.21 0.33 0.52 0.24 -1.72 0.00 0.00 179.24 178.40 1ou4 h MET 133 N 0.67 1.01 -0.24 3.56 2.86 -1.88 0.34 114.93 121.25 1ou4 h MET 133 Ca 0.33 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1ou4 h MET 133 Cb 0.28 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ou4 h MET 133 CO -0.23 0.67 -0.04 0.28 1.06 0.00 0.00 176.91 178.66 1ou4 h VAL 134 N 1.04 1.27 -0.55 -2.22 2.07 -0.79 -1.96 116.25 115.12 1ou4 h VAL 134 Ca 0.29 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1ou4 h VAL 134 Cb -0.09 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1ou4 h VAL 134 CO -0.07 0.31 0.35 -0.09 0.02 0.00 0.00 177.57 178.10 1ou4 h ARG 135 N 0.20 0.69 -0.20 1.57 2.43 -0.31 -1.70 114.38 117.07 1ou4 h ARG 135 Ca 0.06 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1ou4 h ARG 135 Cb 0.48 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ou4 h ARG 135 CO 0.02 0.46 0.08 -0.91 -1.51 0.00 0.00 179.97 178.11 1ou4 h ASN 136 N 0.71 0.11 -0.95 -3.80 2.35 -0.25 -2.00 115.58 111.76 1ou4 h ASN 136 Ca 0.21 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1ou4 h ASN 136 Cb -0.05 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1ou4 h ASN 136 CO -0.06 0.09 0.63 0.00 -1.65 0.00 0.00 177.43 176.44 1ou4 h ALA 137 N 1.11 1.35 -0.50 -0.83 0.00 -1.06 0.36 119.26 119.69 1ou4 h ALA 137 Ca 0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1ou4 h ALA 137 Cb 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ou4 h ALA 137 CO -0.07 0.59 -0.11 0.28 0.00 0.00 0.00 179.25 179.93 1ou4 h VAL 138 N 1.25 1.27 -0.19 0.00 2.07 -1.00 -1.67 116.25 117.98 1ou4 h VAL 138 Ca 0.36 -1.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1ou4 h VAL 138 Cb -0.09 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ou4 h VAL 138 CO -0.09 0.43 -0.43 0.44 0.02 0.00 0.00 177.57 177.94 1ou4 h ASP 139 N 0.84 0.70 -0.22 0.57 3.45 -0.87 -2.32 116.42 118.58 1ou4 h ASP 139 Ca 0.13 -0.56 -0.02 0.00 0.43 0.00 0.00 57.03 57.01 1ou4 h ASP 139 Cb 0.65 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 1ou4 h ASP 139 CO 0.05 1.14 0.09 0.00 -1.57 0.00 0.00 179.24 178.94 1ou4 h ALA 140 N 0.58 1.64 -0.27 3.45 0.00 -0.90 -1.37 119.26 122.39 1ou4 h ALA 140 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1ou4 h ALA 140 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ou4 h ALA 140 CO 0.09 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 1ou4 h ALA 141 N 1.71 0.38 -0.60 0.00 0.00 -1.14 -2.52 119.26 117.08 1ou4 h ALA 141 Ca 0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1ou4 h ALA 141 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ou4 h ALA 141 CO -0.01 0.17 0.09 -0.22 0.00 0.00 0.00 179.25 179.28 1ou4 h LYS 142 N 0.28 0.98 0.00 0.00 3.64 -0.95 -1.05 116.57 119.47 1ou4 h LYS 142 Ca 0.07 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1ou4 h LYS 142 Cb 0.52 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ou4 h LYS 142 CO 0.02 0.91 -0.11 0.00 -2.27 0.00 0.00 179.45 178.00 1ou4 h ALA 143 N 1.16 1.30 -0.03 5.00 0.00 -1.16 -1.59 119.26 123.95 1ou4 h ALA 143 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ou4 h ALA 143 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ou4 h ALA 143 CO 0.01 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1ou4 n LEU 144 N -3.66 2.71 -0.82 0.00 4.77 -0.92 -4.95 117.00 114.14 1ou4 n LEU 144 Ca -0.02 -0.91 -0.11 0.00 -0.03 0.00 0.00 56.01 54.95 1ou4 n LEU 144 Cb 0.23 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1ou4 n LEU 144 CO 0.30 0.45 -0.10 0.61 -1.33 0.00 0.00 177.39 177.32 1ou4 n GLY 145 N 1.32 1.18 3.75 -0.72 0.00 -0.60 -4.99 105.19 105.12 1ou4 n GLY 145 Ca 0.15 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1ou4 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ou4 s ILE 146 N -2.33 5.42 0.80 -0.61 1.01 -0.46 -5.02 121.20 120.01 1ou4 s ILE 146 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 1ou4 s ILE 146 Cb 0.00 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 39.08 1ou4 s ILE 146 CO 0.00 0.46 1.13 -1.81 0.00 0.00 0.00 174.94 174.72 1ou4 s ASP 147 N 0.22 4.02 -0.30 3.58 1.01 -1.26 -4.27 116.67 119.68 1ou4 s ASP 147 Ca 0.09 2.04 -0.14 0.00 0.71 0.00 0.00 52.55 55.25 1ou4 s ASP 147 Cb -0.11 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.41 1ou4 s ASP 147 CO -0.01 -2.36 0.87 0.00 0.21 0.00 0.00 175.17 173.88 1ou4 s ALA 148 N -2.61 -2.36 -0.11 5.23 0.00 -1.26 -4.45 121.76 116.19 1ou4 s ALA 148 Ca 0.66 2.20 -0.12 0.00 0.00 0.00 0.00 51.96 54.69 1ou4 s ALA 148 Cb -0.21 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1ou4 s ALA 148 CO 0.53 -0.74 0.28 1.03 0.00 0.00 0.00 175.76 176.86 1ou4 s ARG 149 N 2.20 3.97 -0.17 0.00 0.52 -0.50 -4.93 118.95 120.05 1ou4 s ARG 149 Ca -0.06 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1ou4 s ARG 149 Cb -0.07 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.06 1ou4 s ARG 149 CO -0.17 0.48 -0.04 0.08 0.02 0.00 0.00 175.30 175.67 1ou4 s VAL 150 N -0.28 3.77 -1.30 3.52 1.01 -1.26 0.55 120.40 126.40 1ou4 s VAL 150 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1ou4 s VAL 150 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1ou4 s VAL 150 CO 0.06 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1ou4 n GLY 151 N 3.90 -0.74 3.84 4.51 0.00 -0.67 -4.94 105.19 111.09 1ou4 n GLY 151 Ca -0.17 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1ou4 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ou4 s ASN 152 N -4.00 6.84 0.36 1.61 0.01 -1.26 -0.72 114.94 117.77 1ou4 s ASN 152 Ca 0.00 1.04 0.09 0.00 -0.71 0.00 0.00 52.86 53.27 1ou4 s ASN 152 Cb 0.00 -2.27 -0.06 0.00 0.41 0.00 0.00 41.25 39.33 1ou4 s ASN 152 CO 0.00 0.20 0.03 -0.76 -1.51 0.00 0.00 177.10 175.06 1ou4 s LEU 153 N -1.58 2.96 -0.14 0.60 1.43 -0.88 -1.17 118.68 119.89 1ou4 s LEU 153 Ca 0.32 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1ou4 s LEU 153 Cb -0.16 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.82 1ou4 s LEU 153 CO 0.18 -0.31 -0.12 0.12 0.23 0.00 0.00 176.35 176.45 1ou4 s PHE 154 N -2.57 1.98 -0.46 0.29 5.36 -0.24 0.40 117.98 122.75 1ou4 s PHE 154 Ca 0.36 -1.12 -0.18 0.00 -0.96 0.00 0.00 56.93 55.02 1ou4 s PHE 154 Cb 0.02 -1.49 0.04 0.00 -0.34 0.00 0.00 43.02 41.25 1ou4 s PHE 154 CO 0.19 -0.63 0.53 -1.12 -1.46 0.00 0.00 175.22 172.73 1ou4 s SER 155 N 1.55 6.22 0.12 6.13 0.01 0.28 -1.08 113.70 126.93 1ou4 s SER 155 Ca 0.04 -0.75 -0.07 0.00 1.31 0.00 0.00 55.95 56.48 1ou4 s SER 155 Cb -0.13 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1ou4 s SER 155 CO -0.10 -0.72 0.38 0.00 0.41 0.00 0.00 173.24 173.22 1ou4 s ALA 156 N 2.36 3.76 -0.01 1.44 0.00 0.09 -3.27 121.76 126.14 1ou4 s ALA 156 Ca 0.14 -0.49 0.11 0.00 0.00 0.00 0.00 51.96 51.72 1ou4 s ALA 156 Cb -0.18 -2.18 -0.23 0.00 0.00 0.00 0.00 23.12 20.53 1ou4 s ALA 156 CO 0.13 0.63 0.79 -0.44 0.00 0.00 0.00 175.76 176.88 1ou4 h ASP 157 N 3.16 0.00 -3.72 0.00 3.45 -1.91 -3.41 116.42 113.99 1ou4 h ASP 157 Ca -0.47 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.31 1ou4 h ASP 157 Cb 1.18 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 39.59 1ou4 h ASP 157 CO 0.70 1.00 -0.70 -0.76 -1.57 0.00 0.00 179.24 177.91 1ou4 s LEU 158 N -6.22 4.22 0.29 1.55 1.43 -1.26 -4.96 118.68 113.74 1ou4 s LEU 158 Ca -0.03 -1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 51.46 1ou4 s LEU 158 Cb 0.08 -1.69 0.50 0.00 0.03 0.00 0.00 46.19 45.11 1ou4 s LEU 158 CO 0.82 -0.32 1.91 0.15 0.23 0.00 0.00 176.35 179.14 1ou4 h PHE 159 N 7.89 1.08 -3.05 0.29 3.04 -1.98 -2.84 116.94 121.38 1ou4 h PHE 159 Ca -0.16 0.03 -0.77 0.00 3.98 0.00 0.00 57.97 61.05 1ou4 h PHE 159 Cb 1.05 -0.36 -0.31 0.00 2.56 0.00 0.00 35.95 38.89 1ou4 h PHE 159 CO 0.58 0.57 0.43 0.66 -2.02 0.00 0.00 178.31 178.54 1ou4 n TYR 160 N -4.49 3.44 -2.52 0.41 4.01 -1.26 -5.04 117.16 111.72 1ou4 n TYR 160 Ca 0.14 -3.30 -0.41 0.00 -0.16 0.00 0.00 57.90 54.16 1ou4 n TYR 160 Cb 0.18 -1.28 -0.04 0.00 -0.31 0.00 0.00 39.34 37.90 1ou4 n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ou4 s SER 161 N -0.87 7.24 0.00 7.72 0.15 -1.07 -4.94 113.70 121.93 1ou4 s SER 161 Ca 0.32 2.00 0.28 0.00 0.70 0.00 0.00 55.95 59.25 1ou4 s SER 161 Cb 0.01 -2.59 1.11 0.00 -1.71 0.00 0.00 66.02 62.84 1ou4 s SER 161 CO 0.02 -0.29 1.84 -0.81 1.20 0.00 0.00 173.24 175.20 1ou4 n PRO 162 N 3.01 0.02 -3.23 5.44 -0.04 -1.26 -4.49 135.00 134.45 1ou4 n PRO 162 Ca 0.05 -0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.06 1ou4 n PRO 162 Cb 0.47 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1ou4 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ou4 s ASP 163 N -2.98 7.22 0.27 3.54 3.68 -1.26 -4.87 116.67 122.26 1ou4 s ASP 163 Ca 0.14 -3.36 -0.05 0.00 2.13 0.00 0.00 52.55 51.41 1ou4 s ASP 163 Cb 0.19 -2.26 0.33 0.00 -1.45 0.00 0.00 42.92 39.72 1ou4 s ASP 163 CO 0.56 -0.43 1.94 1.23 0.13 0.00 0.00 175.17 178.59 1ou4 h GLY 164 N 7.57 1.32 1.01 2.66 0.00 -2.03 -2.84 103.07 110.76 1ou4 h GLY 164 Ca 0.21 -0.50 0.13 0.00 0.00 0.00 0.00 47.33 47.17 1ou4 h GLY 164 CO 1.06 0.49 0.37 0.83 0.00 0.00 0.00 176.54 179.29 1ou4 h GLU 165 N 1.27 0.14 -0.10 4.80 5.08 -1.98 -2.34 114.58 121.45 1ou4 h GLU 165 Ca 0.34 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.72 1ou4 h GLU 165 Cb -0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1ou4 h GLU 165 CO -0.07 0.09 0.17 1.98 -1.00 0.00 0.00 179.01 180.18 1ou4 h MET 166 N 0.14 0.00 -0.03 2.33 4.05 -1.93 -0.91 114.93 118.59 1ou4 h MET 166 Ca 0.25 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.54 1ou4 h MET 166 Cb 0.81 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 1ou4 h MET 166 CO -0.03 0.00 -0.59 0.74 0.23 0.00 0.00 176.91 177.25 1ou4 h PHE 167 N 0.00 0.13 -0.38 1.39 0.05 -1.62 -1.28 116.94 115.23 1ou4 h PHE 167 Ca 0.05 -0.05 -0.15 0.00 3.82 0.00 0.00 57.97 61.63 1ou4 h PHE 167 Cb 0.39 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 1ou4 h PHE 167 CO 0.00 0.67 -0.36 -0.44 -0.18 0.00 0.00 178.31 178.00 1ou4 h ASP 168 N 0.08 0.98 -0.70 2.17 3.45 -1.35 -0.79 116.42 120.26 1ou4 h ASP 168 Ca -0.01 -0.46 -0.06 0.00 0.43 0.00 0.00 57.03 56.94 1ou4 h ASP 168 Cb 1.07 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.53 1ou4 h ASP 168 CO 0.08 1.23 0.20 0.58 -1.57 0.00 0.00 179.24 179.77 1ou4 h VAL 169 N 0.74 1.26 0.08 -1.35 2.07 -1.44 0.36 116.25 117.97 1ou4 h VAL 169 Ca 0.06 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1ou4 h VAL 169 Cb 0.95 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ou4 h VAL 169 CO 0.09 0.35 -0.04 0.24 0.02 0.00 0.00 177.57 178.23 1ou4 h MET 170 N 1.03 -0.11 -0.39 1.57 2.86 -0.99 -2.26 114.93 116.65 1ou4 h MET 170 Ca 0.22 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.92 1ou4 h MET 170 Cb 0.33 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1ou4 h MET 170 CO -0.00 -0.03 0.11 1.49 1.06 0.00 0.00 176.91 179.54 1ou4 h GLU 171 N -0.16 0.25 -0.91 1.72 4.81 -0.90 -1.94 114.58 117.45 1ou4 h GLU 171 Ca -0.01 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1ou4 h GLU 171 Cb 0.13 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 1ou4 h GLU 171 CO 0.02 0.16 0.58 -0.22 -0.73 0.00 0.00 179.01 178.83 1ou4 h LYS 172 N 0.26 0.78 -0.59 1.92 3.64 -0.69 -1.40 116.57 120.48 1ou4 h LYS 172 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ou4 h LYS 172 Cb 0.19 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ou4 h LYS 172 CO -0.21 0.52 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 1ou4 n TYR 173 N -4.57 0.97 -1.65 1.91 4.01 -0.80 -4.95 117.16 112.09 1ou4 n TYR 173 Ca 0.17 -0.41 -0.06 0.00 -0.16 0.00 0.00 57.90 57.45 1ou4 n TYR 173 Cb 0.40 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 1ou4 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ou4 n GLY 174 N 1.03 0.47 3.67 2.72 0.00 -0.53 -4.99 105.19 107.56 1ou4 n GLY 174 Ca 0.18 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1ou4 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ou4 s ILE 175 N -2.25 3.01 0.08 -0.61 -1.09 -0.81 -4.65 121.20 114.88 1ou4 s ILE 175 Ca 0.00 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.56 1ou4 s ILE 175 Cb 0.00 -3.10 -0.26 0.00 -1.58 0.00 0.00 42.46 37.52 1ou4 s ILE 175 CO 0.00 -0.01 1.15 -0.07 -1.23 0.00 0.00 174.94 174.78 1ou4 h LEU 176 N 10.07 0.29 -7.35 2.97 3.38 -1.50 -3.40 115.31 119.78 1ou4 h LEU 176 Ca -0.47 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 1ou4 h LEU 176 Cb 1.22 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.66 1ou4 h LEU 176 CO 0.94 1.25 -0.21 -0.83 0.09 0.00 0.00 178.44 179.69 1ou4 s GLY 177 N -4.70 -0.28 -0.29 0.83 0.00 -1.25 -4.50 107.32 97.12 1ou4 s GLY 177 Ca -0.03 0.92 -0.06 0.00 0.00 0.00 0.00 44.72 45.55 1ou4 s GLY 177 CO 0.86 0.73 0.07 0.14 0.00 0.00 0.00 173.10 174.90 1ou4 s VAL 178 N -0.38 3.82 0.00 1.40 1.01 0.16 -1.08 120.40 125.33 1ou4 s VAL 178 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1ou4 s VAL 178 Cb -0.03 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ou4 s VAL 178 CO 0.03 0.07 0.00 -1.84 0.00 0.00 0.00 175.10 173.35 1ou4 n GLU 179 N 4.84 1.26 -1.23 2.72 -0.00 -0.24 -0.87 120.64 127.12 1ou4 n GLU 179 Ca -0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.04 1ou4 n GLU 179 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.93 1ou4 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ou4 n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.73 117.12 121.38 1ou4 n MET 180 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.18 1ou4 n MET 180 Cb 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 1ou4 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1ou4 n GLU 181 N 0.36 0.00 -0.37 0.03 4.71 -1.26 -2.16 120.64 121.95 1ou4 n GLU 181 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.20 1ou4 n GLU 181 Cb 1.02 -0.39 0.08 0.00 -1.01 0.00 0.00 31.44 31.13 1ou4 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ou4 n ALA 182 N -1.26 0.01 0.14 0.62 0.00 -1.26 -0.73 120.51 118.03 1ou4 n ALA 182 Ca 0.00 1.01 0.08 0.00 0.00 0.00 0.00 53.44 54.53 1ou4 n ALA 182 Cb 0.00 -0.51 0.56 0.00 0.00 0.00 0.00 19.45 19.50 1ou4 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ou4 h ALA 183 N 1.58 1.93 0.12 0.00 0.00 -1.84 -1.95 119.26 119.10 1ou4 h ALA 183 Ca 0.39 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.99 1ou4 h ALA 183 Cb 0.63 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.39 1ou4 h ALA 183 CO -0.99 0.04 -1.25 0.78 0.00 0.00 0.00 179.25 177.83 1ou4 h GLY 184 N 0.21 0.69 1.65 0.00 0.00 -1.30 -2.87 103.07 101.45 1ou4 h GLY 184 Ca 0.08 -1.44 -0.07 0.00 0.00 0.00 0.00 47.33 45.90 1ou4 h GLY 184 CO -0.02 1.27 -0.13 -2.22 0.00 0.00 0.00 176.54 175.44 1ou4 h ILE 185 N 0.27 1.22 -0.01 2.60 2.04 -1.00 -1.19 117.51 121.45 1ou4 h ILE 185 Ca -0.19 -0.97 -0.15 0.00 1.00 0.00 0.00 64.86 64.56 1ou4 h ILE 185 Cb 1.92 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 1ou4 h ILE 185 CO 0.24 0.31 -0.68 1.88 0.00 0.00 0.00 178.15 179.90 1ou4 h TYR 186 N 0.40 0.06 -0.15 1.37 0.99 -1.43 -1.81 116.97 116.39 1ou4 h TYR 186 Ca 0.08 -0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1ou4 h TYR 186 Cb 0.47 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 38.19 1ou4 h TYR 186 CO 0.01 0.71 -0.12 0.78 -0.00 0.00 0.00 178.16 179.55 1ou4 h GLY 187 N 1.94 0.37 0.90 3.88 0.00 -1.14 -2.36 103.07 106.67 1ou4 h GLY 187 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1ou4 h GLY 187 CO 0.09 0.33 0.10 -2.08 0.00 0.00 0.00 176.54 174.98 1ou4 h VAL 188 N -0.02 1.17 -0.43 4.60 2.07 -1.22 -0.40 116.25 122.01 1ou4 h VAL 188 Ca 0.03 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1ou4 h VAL 188 Cb 0.63 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1ou4 h VAL 188 CO 0.03 0.17 0.11 0.00 0.02 0.00 0.00 177.57 177.90 1ou4 h ALA 189 N 0.94 0.49 -0.68 1.67 0.00 -1.37 0.23 119.26 120.54 1ou4 h ALA 189 Ca 0.08 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ou4 h ALA 189 Cb 0.17 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ou4 h ALA 189 CO -0.01 -0.29 0.14 0.00 0.00 0.00 0.00 179.25 179.10 1ou4 h ALA 190 N 1.31 0.90 -0.34 0.00 0.00 -1.24 0.07 119.26 119.96 1ou4 h ALA 190 Ca 0.21 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1ou4 h ALA 190 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ou4 h ALA 190 CO -0.25 0.64 -0.17 1.49 0.00 0.00 0.00 179.25 180.96 1ou4 h GLU 191 N 1.03 0.72 -0.47 0.00 4.81 -0.31 -3.28 114.58 117.08 1ou4 h GLU 191 Ca 0.21 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ou4 h GLU 191 Cb 0.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1ou4 h GLU 191 CO 0.01 0.93 0.00 1.19 -0.73 0.00 0.00 179.01 180.40 1ou4 n PHE 192 N -4.32 0.61 -2.22 0.92 3.01 0.74 -5.01 117.46 111.20 1ou4 n PHE 192 Ca -0.02 -0.31 -0.05 0.00 1.01 0.00 0.00 57.45 58.07 1ou4 n PHE 192 Cb 0.40 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.90 1ou4 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ou4 n GLY 193 N 1.52 -0.04 1.17 1.37 0.00 -0.13 -4.99 105.19 104.08 1ou4 n GLY 193 Ca 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 1ou4 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ou4 n ALA 194 N -2.11 0.18 -2.50 4.61 0.00 -0.36 -5.05 120.51 115.29 1ou4 n ALA 194 Ca -0.03 -0.68 -0.25 0.00 0.00 0.00 0.00 53.44 52.48 1ou4 n ALA 194 Cb 0.54 0.55 -0.13 0.00 0.00 0.00 0.00 19.45 20.41 1ou4 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ou4 s LYS 195 N -2.45 1.29 0.08 0.00 1.02 -0.94 -4.54 119.74 114.21 1ou4 s LYS 195 Ca 0.14 -1.06 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 1ou4 s LYS 195 Cb 0.00 -1.49 0.01 0.00 -0.52 0.00 0.00 37.83 35.83 1ou4 s LYS 195 CO 0.10 0.37 0.26 0.00 -0.92 0.00 0.00 175.35 175.15 1ou4 s ALA 196 N -0.97 -0.47 -0.15 5.17 0.00 -1.26 -1.93 121.76 122.15 1ou4 s ALA 196 Ca 0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1ou4 s ALA 196 Cb -0.09 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.55 1ou4 s ALA 196 CO 0.03 -0.51 0.42 -1.17 0.00 0.00 0.00 175.76 174.53 1ou4 s LEU 197 N -2.64 0.41 -0.15 0.00 2.96 -0.86 -2.16 118.68 116.24 1ou4 s LEU 197 Ca 0.02 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1ou4 s LEU 197 Cb 0.03 1.45 0.00 0.00 0.50 0.00 0.00 46.19 48.17 1ou4 s LEU 197 CO -0.09 -0.17 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.70 1ou4 s THR 198 N 0.11 2.49 -0.08 3.68 2.01 -1.26 -1.26 115.64 121.33 1ou4 s THR 198 Ca -0.01 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1ou4 s THR 198 Cb -0.03 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 1ou4 s THR 198 CO 0.01 0.53 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 1ou4 s ILE 199 N 0.78 2.02 0.11 1.82 1.01 0.19 -1.19 121.20 125.94 1ou4 s ILE 199 Ca -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.61 1ou4 s ILE 199 Cb -0.15 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1ou4 s ILE 199 CO -0.00 0.56 -0.12 0.00 0.00 0.00 0.00 174.94 175.38 1ou4 s THR 201 N -2.44 3.44 -0.52 0.00 2.01 0.09 -1.05 115.64 117.17 1ou4 s THR 201 Ca 0.08 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1ou4 s THR 201 Cb -0.03 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1ou4 s THR 201 CO 0.01 0.48 2.02 -0.69 -0.69 0.00 0.00 174.62 175.75 1ou4 s VAL 202 N 0.74 3.26 0.00 3.82 1.01 -0.05 -1.96 120.40 127.22 1ou4 s VAL 202 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1ou4 s VAL 202 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1ou4 s VAL 202 CO 0.02 -0.56 0.00 -1.20 0.00 0.00 0.00 175.10 173.36 1ou4 n SER 203 N 13.22 0.00 -3.72 3.32 7.64 -0.41 -1.10 113.62 132.56 1ou4 n SER 203 Ca 0.26 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.83 1ou4 n SER 203 Cb 0.52 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.96 1ou4 n SER 203 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ou4 s ASP 204 N -1.12 0.83 -0.22 6.43 -4.77 -1.25 -4.59 116.67 111.97 1ou4 s ASP 204 Ca 0.00 0.55 0.01 0.00 -3.30 0.00 0.00 52.55 49.81 1ou4 s ASP 204 Cb 0.00 -0.73 0.05 0.00 -1.09 0.00 0.00 42.92 41.15 1ou4 s ASP 204 CO 0.00 -4.17 -0.07 -2.28 0.70 0.00 0.00 175.17 169.35 1ou4 s HIS 205 N -3.06 2.42 0.57 2.11 2.46 -1.24 -3.24 115.29 115.31 1ou4 s HIS 205 Ca 0.72 -1.69 0.34 0.00 0.47 0.00 0.00 55.06 54.89 1ou4 s HIS 205 Cb -0.08 -1.61 1.44 0.00 -0.13 0.00 0.00 32.58 32.20 1ou4 s HIS 205 CO 0.56 -0.76 1.72 0.82 -2.47 0.00 0.00 174.74 174.61 1ou4 h ILE 206 N 6.56 0.29 0.00 0.89 2.04 -1.82 0.18 117.51 125.65 1ou4 h ILE 206 Ca -0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ou4 h ILE 206 Cb 1.08 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ou4 h ILE 206 CO 0.44 0.00 0.00 0.54 0.00 0.00 0.00 178.15 179.13 1ou4 n ARG 207 N -3.86 0.00 0.28 2.37 5.12 -1.26 -4.49 116.66 114.82 1ou4 n ARG 207 Ca 0.22 0.31 0.12 0.00 -1.93 0.00 0.00 57.85 56.57 1ou4 n ARG 207 Cb 1.20 -0.79 0.78 0.00 -1.16 0.00 0.00 32.46 32.49 1ou4 n ARG 207 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1ou4 h THR 208 N 0.00 0.72 -4.36 0.55 1.35 -1.92 -3.48 112.91 105.77 1ou4 h THR 208 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1ou4 h THR 208 Cb 0.00 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.43 1ou4 h THR 208 CO 0.00 0.03 -0.86 1.41 -0.25 0.00 0.00 175.52 175.84 1ou4 n HIS 209 N -4.08 -2.83 -3.15 4.73 8.25 0.61 -5.01 115.22 113.74 1ou4 n HIS 209 Ca -0.03 1.46 0.06 0.00 -0.26 0.00 0.00 57.72 58.95 1ou4 n HIS 209 Cb 0.11 -3.15 -0.00 0.00 1.12 0.00 0.00 29.99 28.07 1ou4 n HIS 209 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1ou4 s GLU 210 N -0.93 0.10 0.18 -0.41 -1.05 -1.26 -4.93 118.70 110.40 1ou4 s GLU 210 Ca -0.10 0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 54.79 1ou4 s GLU 210 Cb 0.01 0.05 0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1ou4 s GLU 210 CO 0.53 -0.18 0.18 1.04 0.95 0.00 0.00 175.26 177.77 1ou4 n GLN 211 N 5.09 -0.99 -0.74 -4.83 3.00 -1.26 -3.60 117.38 114.05 1ou4 n GLN 211 Ca 0.09 -0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 56.48 1ou4 n GLN 211 Cb 0.58 -0.24 0.14 0.00 0.00 0.00 0.00 30.24 30.72 1ou4 n GLN 211 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1ou4 n THR 212 N -2.69 0.00 -3.43 5.09 -2.24 -1.26 -4.69 114.28 105.06 1ou4 n THR 212 Ca 0.02 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1ou4 n THR 212 Cb 0.09 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 1ou4 n THR 212 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ou4 s THR 213 N -2.48 0.00 0.00 4.28 -1.32 -1.26 -5.06 115.64 109.81 1ou4 s THR 213 Ca 0.61 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 1ou4 s THR 213 Cb -0.22 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 1ou4 s THR 213 CO 0.64 -0.01 0.00 0.00 -2.21 0.00 0.00 174.62 173.04 1ou4 n ALA 214 N -0.32 0.00 0.52 11.08 0.00 -1.26 -2.88 120.51 127.65 1ou4 n ALA 214 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1ou4 n ALA 214 Cb 0.65 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.35 1ou4 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ou4 n ALA 215 N 5.70 2.44 0.22 0.00 0.00 -1.26 -4.21 120.51 123.40 1ou4 n ALA 215 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 53.44 52.61 1ou4 n ALA 215 Cb 0.00 -0.93 0.49 0.00 0.00 0.00 0.00 19.45 19.01 1ou4 n ALA 215 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ou4 h GLU 216 N 3.94 0.00 0.15 0.00 3.07 -1.98 -3.19 114.58 116.57 1ou4 h GLU 216 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1ou4 h GLU 216 Cb 0.87 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1ou4 h GLU 216 CO 0.00 0.24 -0.14 0.00 -1.40 0.00 0.00 179.01 177.71 1ou4 h ARG 217 N 0.00 -0.27 -0.44 2.33 3.08 -1.73 -2.05 114.38 115.30 1ou4 h ARG 217 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1ou4 h ARG 217 Cb 0.44 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1ou4 h ARG 217 CO 0.03 -0.18 -0.32 0.37 -1.07 0.00 0.00 179.97 178.80 1ou4 h GLN 218 N -0.28 -0.22 -0.01 0.04 4.15 -1.87 0.33 115.11 117.26 1ou4 h GLN 218 Ca -0.02 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1ou4 h GLN 218 Cb 0.24 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1ou4 h GLN 218 CO -0.01 -0.15 -0.27 1.15 -1.93 0.00 0.00 178.83 177.63 1ou4 h THR 219 N -0.23 0.39 -0.74 2.39 2.02 -1.57 0.58 112.91 115.75 1ou4 h THR 219 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1ou4 h THR 219 Cb 0.54 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1ou4 h THR 219 CO -0.57 0.00 0.31 0.74 0.37 0.00 0.00 175.52 176.38 1ou4 h THR 220 N -0.41 1.25 -0.71 3.16 2.02 -0.96 -1.48 112.91 115.78 1ou4 h THR 220 Ca 0.06 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1ou4 h THR 220 Cb 0.50 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1ou4 h THR 220 CO -0.24 0.31 0.39 0.15 0.37 0.00 0.00 175.52 176.49 1ou4 h PHE 221 N 1.05 0.98 -0.10 3.16 3.04 0.20 -1.67 116.94 123.60 1ou4 h PHE 221 Ca 0.25 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.12 1ou4 h PHE 221 Cb 0.18 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1ou4 h PHE 221 CO 0.01 0.70 -0.16 -0.91 -2.02 0.00 0.00 178.31 175.93 1ou4 h ASN 222 N 0.98 0.15 -0.35 0.41 2.35 0.61 -1.42 115.58 118.31 1ou4 h ASN 222 Ca 0.25 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1ou4 h ASN 222 Cb 0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ou4 h ASN 222 CO -0.04 0.33 0.04 0.44 -1.65 0.00 0.00 177.43 176.56 1ou4 h ASP 223 N 0.15 0.56 0.02 5.81 3.32 -0.39 -0.14 116.42 125.76 1ou4 h ASP 223 Ca 0.03 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1ou4 h ASP 223 Cb 0.39 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ou4 h ASP 223 CO 0.02 0.69 -0.05 -0.03 -1.72 0.00 0.00 179.24 178.16 1ou4 h MET 224 N 0.41 -0.10 -0.96 3.56 4.05 -0.78 0.10 114.93 121.21 1ou4 h MET 224 Ca 0.10 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 1ou4 h MET 224 Cb 0.38 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.14 1ou4 h MET 224 CO 0.01 -0.07 0.62 0.82 0.23 0.00 0.00 176.91 178.53 1ou4 h ILE 225 N -0.11 1.12 -0.13 1.77 1.08 -1.16 -1.18 117.51 118.91 1ou4 h ILE 225 Ca 0.01 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1ou4 h ILE 225 Cb 0.12 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 33.73 1ou4 h ILE 225 CO -0.04 0.21 0.06 0.50 -0.69 0.00 0.00 178.15 178.19 1ou4 h LYS 226 N 1.16 0.18 -0.85 2.37 1.63 -0.49 -1.29 116.57 119.28 1ou4 h LYS 226 Ca 0.40 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.21 1ou4 h LYS 226 Cb 0.09 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 1ou4 h LYS 226 CO -0.14 0.26 0.54 0.82 -3.45 0.00 0.00 179.45 177.48 1ou4 h ILE 227 N 0.06 1.09 -0.25 2.00 2.04 -0.35 -1.00 117.51 121.10 1ou4 h ILE 227 Ca 0.04 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1ou4 h ILE 227 Cb 0.14 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1ou4 h ILE 227 CO -0.00 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.33 1ou4 h ALA 228 N 1.38 0.33 -0.69 1.87 0.00 -1.02 -1.53 119.26 119.61 1ou4 h ALA 228 Ca 0.35 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ou4 h ALA 228 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ou4 h ALA 228 CO -0.14 0.06 0.17 -0.07 0.00 0.00 0.00 179.25 179.26 1ou4 h LEU 229 N 0.21 1.04 -0.80 0.00 3.38 -0.96 -2.73 115.31 115.45 1ou4 h LEU 229 Ca 0.07 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1ou4 h LEU 229 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ou4 h LEU 229 CO 0.01 1.00 -0.53 -0.33 0.09 0.00 0.00 178.44 178.68 1ou4 h GLU 230 N 1.03 0.17 -0.16 1.13 4.39 -1.17 -2.90 114.58 117.08 1ou4 h GLU 230 Ca 0.22 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1ou4 h GLU 230 Cb 0.37 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1ou4 h GLU 230 CO 0.00 0.67 -0.16 0.66 -1.16 0.00 0.00 179.01 179.02 1ou4 h SER 231 N 0.14 0.25 -0.47 1.42 4.64 -0.98 -1.99 113.55 116.55 1ou4 h SER 231 Ca 0.00 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1ou4 h SER 231 Cb 0.99 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1ou4 h SER 231 CO 0.08 0.43 -0.02 0.58 -0.87 0.00 0.00 176.83 177.04 1ou4 h VAL 232 N 0.24 1.26 -0.39 0.95 2.07 -1.29 -2.18 116.25 116.92 1ou4 h VAL 232 Ca 0.05 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1ou4 h VAL 232 Cb 0.44 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ou4 h VAL 232 CO 0.03 0.39 -0.06 -0.07 0.02 0.00 0.00 177.57 177.87 1ou4 h LEU 233 N 0.83 0.72 -2.07 2.57 3.38 -1.35 -2.10 115.31 117.30 1ou4 h LEU 233 Ca 0.15 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ou4 h LEU 233 Cb 0.52 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ou4 h LEU 233 CO 0.03 0.90 -0.08 -0.07 0.09 0.00 0.00 178.44 179.30 1ou4 h LEU 234 N 0.53 0.00 0.00 1.67 4.07 -1.26 -2.20 115.31 118.12 1ou4 h LEU 234 Ca 0.10 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.89 1ou4 h LEU 234 Cb 0.56 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1ou4 h LEU 234 CO 0.03 0.08 -0.88 1.23 -1.08 0.00 0.00 178.44 177.82 1ou4 h GLY 235 N 0.76 0.00 1.38 0.83 0.00 -0.86 -3.29 103.07 101.89 1ou4 h GLY 235 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ou4 h GLY 235 CO 0.01 0.00 -0.56 -0.55 0.00 0.00 0.00 176.54 175.44 1ou4 h ASP 236 N 0.00 0.72 0.00 0.19 3.32 -0.75 -3.51 116.42 116.39 1ou4 h ASP 236 Ca -0.03 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1ou4 h ASP 236 Cb 1.63 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1ou4 h ASP 236 CO 0.10 1.13 0.00 0.29 -1.72 0.00 0.00 179.24 179.04