#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d04 s PHE 12 N 0.00 3.07 0.54 1.08 0.40 -0.57 -4.99 117.98 117.51 3d04 s PHE 12 Ca 0.00 -0.11 0.09 0.00 -0.60 0.00 0.00 56.93 56.30 3d04 s PHE 12 Cb 0.00 -1.91 0.06 0.00 0.51 0.00 0.00 43.02 41.69 3d04 s PHE 12 CO 0.00 0.14 0.66 -0.06 0.70 0.00 0.00 175.22 176.66 3d04 s PHE 13 N -0.04 1.67 0.26 0.36 0.40 -1.26 -0.90 117.98 118.46 3d04 s PHE 13 Ca 0.02 -0.70 -0.01 0.00 -0.60 0.00 0.00 56.93 55.64 3d04 s PHE 13 Cb -0.13 -2.16 0.53 0.00 0.51 0.00 0.00 43.02 41.76 3d04 s PHE 13 CO 0.02 -0.88 1.77 0.97 0.70 0.00 0.00 175.22 177.80 3d04 h ILE 14 N 0.39 0.75 -0.90 0.64 6.09 -1.91 -0.47 117.51 122.11 3d04 h ILE 14 Ca -0.33 -0.23 0.10 0.00 -1.37 0.00 0.00 64.86 63.04 3d04 h ILE 14 Cb 1.29 0.04 -0.08 0.00 0.47 0.00 0.00 36.82 38.54 3d04 h ILE 14 CO 0.46 0.12 0.53 1.05 -3.07 0.00 0.00 178.15 177.24 3d04 h GLU 15 N 0.66 0.85 -0.23 2.19 4.11 -1.95 0.51 114.58 120.72 3d04 h GLU 15 Ca 0.46 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.71 3d04 h GLU 15 Cb 0.63 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3d04 h GLU 15 CO -0.35 0.56 -0.36 0.45 0.07 0.00 0.00 179.01 179.39 3d04 h HIS 16 N 0.87 0.81 -0.88 2.06 3.86 -1.52 -3.12 115.15 117.22 3d04 h HIS 16 Ca 0.44 -0.27 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 3d04 h HIS 16 Cb 0.41 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 3d04 h HIS 16 CO -0.04 1.02 0.56 0.82 0.86 0.00 0.00 177.93 181.15 3d04 h ILE 17 N 0.36 1.07 0.00 2.45 2.04 -0.55 -2.25 117.51 120.63 3d04 h ILE 17 Ca 0.02 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3d04 h ILE 17 Cb 0.94 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3d04 h ILE 17 CO 0.08 0.19 -0.18 -0.07 0.00 0.00 0.00 178.15 178.17 3d04 h LEU 18 N 1.03 0.00 0.00 1.44 3.38 -0.95 0.23 115.31 120.44 3d04 h LEU 18 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3d04 h LEU 18 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3d04 h LEU 18 CO -0.16 0.18 -0.07 1.56 0.09 0.00 0.00 178.44 180.04 3d04 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.34 -3.39 115.11 115.71 3d04 h GLN 19 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3d04 h GLN 19 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3d04 h GLN 19 CO 0.02 0.00 -1.37 -0.89 -0.67 0.00 0.00 178.83 175.92 3d04 n ILE 20 N -2.67 1.17 -2.70 2.54 2.08 -0.92 -4.38 119.36 114.49 3d04 n ILE 20 Ca 0.05 -0.03 -0.40 0.00 0.56 0.00 0.00 62.75 62.93 3d04 n ILE 20 Cb 0.48 -1.89 -0.05 0.00 -0.75 0.00 0.00 39.64 37.43 3d04 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3d04 s LEU 21 N -7.24 4.59 0.25 1.39 1.43 0.02 -4.78 118.68 114.34 3d04 s LEU 21 Ca -0.22 1.95 0.26 0.00 -1.03 0.00 0.00 54.13 55.09 3d04 s LEU 21 Cb 0.06 -3.61 0.80 0.00 0.03 0.00 0.00 46.19 43.48 3d04 s LEU 21 CO 0.29 0.04 1.76 1.55 0.23 0.00 0.00 176.35 180.22 3d04 h PRO 22 N 4.59 0.00 -6.92 1.29 0.13 -1.88 -3.43 132.00 125.78 3d04 h PRO 22 Ca -0.45 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.15 3d04 h PRO 22 Cb 1.21 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.43 3d04 h PRO 22 CO 0.69 0.00 0.74 -1.01 -0.23 0.00 0.00 178.00 178.19 3d04 s HIS 23 N -3.16 2.73 0.40 1.56 3.76 -1.26 -5.03 115.29 114.29 3d04 s HIS 23 Ca 0.09 1.23 0.04 0.00 -0.15 0.00 0.00 55.06 56.27 3d04 s HIS 23 Cb 0.11 -3.92 -0.02 0.00 1.11 0.00 0.00 32.58 29.86 3d04 s HIS 23 CO 0.57 -2.67 0.15 0.54 -0.85 0.00 0.00 174.74 172.48 3d04 n ARG 24 N 0.63 0.58 -1.77 1.40 5.12 -1.26 -4.66 116.66 116.70 3d04 n ARG 24 Ca 0.01 -3.39 -0.42 0.00 -1.93 0.00 0.00 57.85 52.13 3d04 n ARG 24 Cb 0.40 1.86 -0.02 0.00 -1.16 0.00 0.00 32.46 33.55 3d04 n ARG 24 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3d04 s TYR 25 N -3.06 2.75 -0.61 -1.55 6.14 -1.26 0.40 117.35 120.16 3d04 s TYR 25 Ca 0.21 0.75 -0.00 0.00 0.64 0.00 0.00 57.07 58.66 3d04 s TYR 25 Cb 0.01 -4.08 0.50 0.00 0.42 0.00 0.00 41.96 38.81 3d04 s TYR 25 CO 0.15 -3.66 2.01 -0.35 0.64 0.00 0.00 175.55 174.33 3d04 n PRO 26 N 2.27 2.56 -0.05 4.97 -0.04 -1.26 -4.92 135.00 138.52 3d04 n PRO 26 Ca 0.09 -3.18 0.04 0.00 -0.04 0.00 0.00 63.50 60.41 3d04 n PRO 26 Cb 0.37 -2.25 0.06 0.00 -0.04 0.00 0.00 33.50 31.65 3d04 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3d04 n MET 27 N -0.95 1.97 -3.31 0.54 2.81 0.16 -4.93 117.12 113.41 3d04 n MET 27 Ca 0.61 -1.90 -0.44 0.00 -1.81 0.00 0.00 57.70 54.17 3d04 n MET 27 Cb 0.92 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 32.19 3d04 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3d04 s LEU 28 N -1.72 5.37 -0.24 4.03 2.96 -0.72 -4.60 118.68 123.77 3d04 s LEU 28 Ca 0.14 -1.16 0.11 0.00 -0.22 0.00 0.00 54.13 53.00 3d04 s LEU 28 Cb 0.12 -2.28 0.45 0.00 0.50 0.00 0.00 46.19 44.99 3d04 s LEU 28 CO 0.01 -0.73 1.33 0.18 -1.32 0.00 0.00 176.35 175.83 3d04 n LEU 29 N 5.54 3.37 -3.93 -0.68 4.77 -1.26 -4.90 117.00 119.91 3d04 n LEU 29 Ca -0.10 -3.75 -0.22 0.00 -0.03 0.00 0.00 56.01 51.91 3d04 n LEU 29 Cb 0.44 -0.57 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 3d04 n LEU 29 CO 0.49 1.26 -0.43 -0.69 -1.33 0.00 0.00 177.39 176.70 3d04 s VAL 30 N -3.20 0.74 -0.21 4.08 1.01 -1.26 -4.57 120.40 116.99 3d04 s VAL 30 Ca 0.41 -0.23 0.13 0.00 0.00 0.00 0.00 61.98 62.29 3d04 s VAL 30 Cb 0.38 -0.73 -0.23 0.00 0.00 0.00 0.00 36.38 35.80 3d04 s VAL 30 CO -0.03 0.27 -0.01 0.47 0.00 0.00 0.00 175.10 175.81 3d04 n ASP 31 N 4.06 0.59 -3.67 3.32 10.43 0.09 -4.97 116.55 126.39 3d04 n ASP 31 Ca -0.23 -0.03 -0.14 0.00 2.57 0.00 0.00 54.79 56.95 3d04 n ASP 31 Cb 0.51 0.58 -0.08 0.00 1.84 0.00 0.00 41.12 43.96 3d04 n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3d04 s ARG 32 N -2.50 0.72 -0.24 -1.24 3.52 -1.03 -3.06 118.95 115.12 3d04 s ARG 32 Ca -0.17 0.54 -0.08 0.00 -0.13 0.00 0.00 55.73 55.89 3d04 s ARG 32 Cb 0.07 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.77 3d04 s ARG 32 CO 0.76 -0.14 0.08 0.42 -0.81 0.00 0.00 175.30 175.62 3d04 s ILE 33 N -0.20 4.47 -0.18 4.11 -1.09 -0.08 -1.31 121.20 126.92 3d04 s ILE 33 Ca -0.04 -0.12 0.16 0.00 -2.23 0.00 0.00 60.65 58.42 3d04 s ILE 33 Cb -0.03 -3.09 -0.24 0.00 -1.58 0.00 0.00 42.46 37.52 3d04 s ILE 33 CO 0.03 0.34 0.14 0.35 -1.23 0.00 0.00 174.94 174.57 3d04 n THR 34 N 4.78 1.43 -3.95 2.92 -2.24 -0.37 -1.51 114.28 115.35 3d04 n THR 34 Ca -0.16 -0.83 -0.15 0.00 -2.27 0.00 0.00 64.05 60.64 3d04 n THR 34 Cb 0.52 -0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 3d04 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d04 s GLU 35 N -2.51 0.23 -0.04 -0.78 2.02 -0.77 -4.64 118.70 112.22 3d04 s GLU 35 Ca -0.11 0.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 3d04 s GLU 35 Cb 0.06 -0.34 0.03 0.00 0.10 0.00 0.00 34.13 33.98 3d04 s GLU 35 CO 0.81 -0.06 0.03 -1.17 0.02 0.00 0.00 175.26 174.90 3d04 s LEU 36 N 0.57 0.52 -0.24 1.80 2.96 -1.26 -1.31 118.68 121.72 3d04 s LEU 36 Ca -0.05 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3d04 s LEU 36 Cb -0.08 -0.21 0.07 0.00 0.50 0.00 0.00 46.19 46.46 3d04 s LEU 36 CO -0.01 -0.20 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.71 3d04 s GLN 37 N 1.81 1.30 0.07 1.98 -0.21 -0.37 -5.03 119.66 119.21 3d04 s GLN 37 Ca 0.01 -0.92 -0.37 0.00 0.02 0.00 0.00 55.36 54.10 3d04 s GLN 37 Cb -0.12 -2.45 -0.17 0.00 1.00 0.00 0.00 33.01 31.27 3d04 s GLN 37 CO -0.03 -0.67 1.35 0.00 -2.12 0.00 0.00 175.29 173.82 3d04 n ALA 38 N 4.75 -1.03 -1.28 6.09 0.00 -1.26 -1.35 120.51 126.43 3d04 n ALA 38 Ca -0.09 0.52 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 3d04 n ALA 38 Cb 0.44 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 3d04 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d04 n ASN 39 N 2.59 -5.27 0.01 0.00 5.03 -1.26 -4.76 115.26 111.60 3d04 n ASN 39 Ca 0.19 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.88 3d04 n ASN 39 Cb 0.18 -3.63 0.00 0.00 -1.02 0.00 0.00 39.78 35.31 3d04 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d04 n GLN 40 N -1.26 0.00 -3.67 3.52 6.02 -0.45 -4.75 117.38 116.79 3d04 n GLN 40 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.80 3d04 n GLN 40 Cb 0.50 -0.03 -0.02 0.00 1.02 0.00 0.00 30.24 31.71 3d04 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3d04 s LYS 41 N -1.11 1.53 -0.06 -1.09 -2.85 -0.84 -1.10 119.74 114.23 3d04 s LYS 41 Ca 0.00 -0.76 -0.05 0.00 -1.00 0.00 0.00 55.97 54.15 3d04 s LYS 41 Cb 0.00 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.38 3d04 s LYS 41 CO 0.00 -0.69 0.15 -1.50 0.10 0.00 0.00 175.35 173.42 3d04 s ILE 42 N -3.85 0.00 -0.12 3.79 2.07 0.55 -1.24 121.20 122.41 3d04 s ILE 42 Ca 0.07 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.33 3d04 s ILE 42 Cb -0.03 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.34 3d04 s ILE 42 CO -0.02 -0.00 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.11 3d04 s VAL 43 N 0.07 1.88 0.26 4.00 1.01 -0.42 -1.42 120.40 125.77 3d04 s VAL 43 Ca -0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3d04 s VAL 43 Cb -0.01 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3d04 s VAL 43 CO 0.00 0.52 0.30 0.00 0.00 0.00 0.00 175.10 175.92 3d04 s ALA 44 N 0.70 0.94 0.11 5.51 0.00 -0.33 -1.24 121.76 127.45 3d04 s ALA 44 Ca -0.11 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.15 3d04 s ALA 44 Cb -0.16 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.27 3d04 s ALA 44 CO 0.02 -0.70 0.31 1.52 0.00 0.00 0.00 175.76 176.91 3d04 s TYR 45 N -3.77 -0.01 -0.07 0.00 1.13 -0.43 0.14 117.35 114.33 3d04 s TYR 45 Ca 0.34 -0.36 0.03 0.00 -1.41 0.00 0.00 57.07 55.67 3d04 s TYR 45 Cb 0.03 0.11 0.01 0.00 -1.10 0.00 0.00 41.96 41.01 3d04 s TYR 45 CO 0.16 -0.64 -0.16 0.21 -2.51 0.00 0.00 175.55 172.61 3d04 s LYS 46 N -3.84 2.05 0.28 -3.49 2.20 0.46 -0.74 119.74 116.66 3d04 s LYS 46 Ca 0.05 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 3d04 s LYS 46 Cb 0.03 -1.64 -0.10 0.00 -1.51 0.00 0.00 37.83 34.61 3d04 s LYS 46 CO -0.11 0.08 1.13 -0.80 -0.36 0.00 0.00 175.35 175.30 3d04 s ASN 47 N 0.53 7.20 -0.22 1.43 0.01 -1.26 -0.71 114.94 121.91 3d04 s ASN 47 Ca -0.15 2.33 -0.05 0.00 -0.71 0.00 0.00 52.86 54.28 3d04 s ASN 47 Cb -0.16 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.85 3d04 s ASN 47 CO 0.05 -0.20 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.81 3d04 s ILE 48 N -1.13 3.77 0.14 0.60 -1.09 0.08 -4.91 121.20 118.65 3d04 s ILE 48 Ca 0.45 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.58 3d04 s ILE 48 Cb -0.33 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 3d04 s ILE 48 CO 0.43 0.40 -0.16 0.28 -1.23 0.00 0.00 174.94 174.66 3d04 s THR 49 N 1.38 1.55 0.48 2.92 -1.32 -1.26 0.45 115.64 119.83 3d04 s THR 49 Ca 0.05 -1.80 0.14 0.00 -1.21 0.00 0.00 61.69 58.86 3d04 s THR 49 Cb -0.15 -1.67 0.24 0.00 -1.51 0.00 0.00 72.50 69.41 3d04 s THR 49 CO 0.00 -0.37 2.08 0.15 -2.21 0.00 0.00 174.62 174.27 3d04 h PHE 50 N 3.41 0.08 0.00 9.09 3.57 -1.95 -3.28 116.94 127.86 3d04 h PHE 50 Ca -0.41 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3d04 h PHE 50 Cb 1.20 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3d04 h PHE 50 CO 0.66 0.12 0.00 -1.71 -2.23 0.00 0.00 178.31 175.15 3d04 n ASN 51 N -4.45 3.23 -4.32 0.41 4.05 -1.26 -4.76 115.26 108.17 3d04 n ASN 51 Ca -0.02 -1.83 -0.31 0.00 0.45 0.00 0.00 54.58 52.87 3d04 n ASN 51 Cb 0.14 -0.68 -0.16 0.00 1.23 0.00 0.00 39.78 40.32 3d04 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3d04 s GLU 52 N 0.71 2.11 0.36 1.20 2.02 -1.24 -5.04 118.70 118.82 3d04 s GLU 52 Ca 0.00 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.11 3d04 s GLU 52 Cb 0.00 -2.05 0.69 0.00 0.10 0.00 0.00 34.13 32.87 3d04 s GLU 52 CO 0.00 0.56 1.94 0.22 0.02 0.00 0.00 175.26 178.00 3d04 h ASP 53 N 5.46 0.50 -0.99 -0.19 3.58 -1.94 -2.81 116.42 120.02 3d04 h ASP 53 Ca -0.43 -0.06 0.23 0.00 0.42 0.00 0.00 57.03 57.18 3d04 h ASP 53 Cb 1.12 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.95 3d04 h ASP 53 CO 0.47 0.49 0.63 -0.37 -2.88 0.00 0.00 179.24 177.58 3d04 h VAL 54 N 0.54 0.62 0.00 2.25 -1.51 -1.96 -1.93 116.25 114.26 3d04 h VAL 54 Ca 0.13 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 3d04 h VAL 54 Cb 0.18 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 3d04 h VAL 54 CO -0.01 0.09 0.00 -0.26 -1.23 0.00 0.00 177.57 176.17 3d04 h PHE 55 N 0.52 0.00 -0.37 5.19 -1.00 -1.78 -1.52 116.94 117.99 3d04 h PHE 55 Ca 0.56 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.33 3d04 h PHE 55 Cb 1.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.77 3d04 h PHE 55 CO -0.00 0.00 0.17 -0.91 -1.61 0.00 0.00 178.31 175.96 3d04 h ASN 56 N 0.00 0.45 -0.04 2.17 2.35 -1.53 -3.26 115.58 115.71 3d04 h ASN 56 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3d04 h ASN 56 Cb 0.32 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3d04 h ASN 56 CO 0.00 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 3d04 n GLY 57 N -1.28 -0.19 2.35 2.83 0.00 -0.62 -4.10 105.19 104.18 3d04 n GLY 57 Ca 0.02 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3d04 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d04 n HIS 58 N 0.40 -1.17 -4.45 1.61 -0.00 -0.90 -4.57 115.22 106.14 3d04 n HIS 58 Ca 0.05 -3.09 -0.22 0.00 -0.00 0.00 0.00 57.72 54.46 3d04 n HIS 58 Cb 0.22 0.18 -0.10 0.00 -0.00 0.00 0.00 29.99 30.29 3d04 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3d04 s PHE 59 N -0.55 2.04 0.21 1.57 0.40 0.14 -1.28 117.98 120.50 3d04 s PHE 59 Ca 0.34 -0.64 -0.32 0.00 -0.60 0.00 0.00 56.93 55.71 3d04 s PHE 59 Cb 0.15 -1.14 -0.14 0.00 0.51 0.00 0.00 43.02 42.40 3d04 s PHE 59 CO -0.15 0.36 1.39 -2.30 0.70 0.00 0.00 175.22 175.22 3d04 n PRO 60 N -0.61 1.87 -0.94 0.24 -0.02 -1.26 -1.29 135.00 132.99 3d04 n PRO 60 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3d04 n PRO 60 Cb 0.63 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3d04 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3d04 n ASN 61 N 2.32 -4.68 -2.93 2.55 4.13 -1.26 -4.86 115.26 110.52 3d04 n ASN 61 Ca 0.13 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.28 3d04 n ASN 61 Cb 0.29 -2.80 -0.02 0.00 -1.54 0.00 0.00 39.78 35.72 3d04 n ASN 61 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3d04 n LYS 62 N -0.07 0.46 -2.11 3.52 0.00 -0.41 -5.12 118.16 114.43 3d04 n LYS 62 Ca 0.00 -2.35 -0.43 0.00 0.00 0.00 0.00 58.31 55.54 3d04 n LYS 62 Cb 0.35 -1.52 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 3d04 n LYS 62 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3d04 s PRO 63 N 0.60 3.62 -0.10 1.64 0.02 -1.25 0.26 135.00 139.79 3d04 s PRO 63 Ca 0.31 1.49 -0.01 0.00 0.02 0.00 0.00 61.00 62.81 3d04 s PRO 63 Cb 0.03 -4.08 0.03 0.00 0.02 0.00 0.00 34.50 30.49 3d04 s PRO 63 CO -0.10 -1.51 -0.04 0.42 -0.33 0.00 0.00 177.00 175.45 3d04 s ILE 64 N 5.76 0.74 0.06 2.83 1.01 -0.41 -4.57 121.20 126.63 3d04 s ILE 64 Ca 0.73 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 3d04 s ILE 64 Cb -0.23 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.31 3d04 s ILE 64 CO 0.31 0.27 1.60 0.12 0.00 0.00 0.00 174.94 177.25 3d04 s PHE 65 N 1.82 2.55 0.26 3.97 5.36 0.82 -4.59 117.98 128.17 3d04 s PHE 65 Ca 0.04 0.43 -0.31 0.00 -0.96 0.00 0.00 56.93 56.14 3d04 s PHE 65 Cb -0.13 -3.91 -0.12 0.00 -0.34 0.00 0.00 43.02 38.52 3d04 s PHE 65 CO -0.07 -3.57 1.58 -2.30 -1.46 0.00 0.00 175.22 169.40 3d04 n PRO 66 N 5.43 2.55 -0.30 10.12 -0.02 -1.26 -4.58 135.00 146.94 3d04 n PRO 66 Ca 0.15 0.91 0.10 0.00 -2.02 0.00 0.00 63.50 62.64 3d04 n PRO 66 Cb 0.41 -2.68 0.33 0.00 -0.02 0.00 0.00 33.50 31.54 3d04 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d04 h GLY 67 N 5.09 1.34 2.00 -1.23 0.00 -1.99 -1.18 103.07 107.11 3d04 h GLY 67 Ca -0.46 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.48 3d04 h GLY 67 CO 0.82 0.12 -0.27 -0.39 0.00 0.00 0.00 176.54 176.82 3d04 h VAL 68 N 0.79 0.89 0.00 4.60 -1.51 -2.00 -2.46 116.25 116.56 3d04 h VAL 68 Ca 0.46 -1.03 -0.09 0.00 -1.23 0.00 0.00 66.70 64.81 3d04 h VAL 68 Cb 0.63 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3d04 h VAL 68 CO -0.22 0.26 -0.62 -0.07 -1.23 0.00 0.00 177.57 175.69 3d04 h LEU 69 N 0.00 0.00 -0.12 4.19 3.38 -1.61 -0.86 115.31 120.29 3d04 h LEU 69 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3d04 h LEU 69 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3d04 h LEU 69 CO 0.03 0.37 0.03 0.40 0.09 0.00 0.00 178.44 179.37 3d04 h ILE 70 N 0.00 1.19 -0.55 1.22 2.04 -1.02 -1.38 117.51 119.01 3d04 h ILE 70 Ca -0.03 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3d04 h ILE 70 Cb 1.31 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 3d04 h ILE 70 CO 0.04 0.18 0.33 0.58 0.00 0.00 0.00 178.15 179.27 3d04 h VAL 71 N 0.00 1.17 -0.40 1.67 2.07 -1.39 -1.41 116.25 117.95 3d04 h VAL 71 Ca 0.04 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.21 3d04 h VAL 71 Cb 0.24 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3d04 h VAL 71 CO -0.00 0.17 0.17 -0.08 0.02 0.00 0.00 177.57 177.85 3d04 h GLU 72 N 0.74 0.33 -0.36 1.57 4.57 -1.14 0.11 114.58 120.40 3d04 h GLU 72 Ca 0.20 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3d04 h GLU 72 Cb -0.00 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3d04 h GLU 72 CO -0.04 0.22 0.21 0.78 -1.18 0.00 0.00 179.01 179.01 3d04 h GLY 73 N 0.34 0.52 0.98 1.92 0.00 -1.01 0.24 103.07 106.07 3d04 h GLY 73 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3d04 h GLY 73 CO -0.16 0.20 -0.30 -0.33 0.00 0.00 0.00 176.54 175.95 3d04 h MET 74 N 0.50 0.71 -0.87 4.80 2.86 -0.59 -2.14 114.93 120.20 3d04 h MET 74 Ca 0.13 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3d04 h MET 74 Cb -0.00 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3d04 h MET 74 CO -0.02 1.00 0.53 0.00 1.06 0.00 0.00 176.91 179.47 3d04 h ALA 75 N 0.70 1.11 -0.47 6.32 0.00 -0.18 -0.04 119.26 126.71 3d04 h ALA 75 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3d04 h ALA 75 Cb 0.87 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3d04 h ALA 75 CO 0.07 0.56 -0.07 1.96 0.00 0.00 0.00 179.25 181.78 3d04 h GLN 76 N 1.19 0.87 -0.31 0.00 4.20 -0.98 0.17 115.11 120.25 3d04 h GLN 76 Ca 0.31 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3d04 h GLN 76 Cb -0.06 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3d04 h GLN 76 CO -0.06 0.95 0.13 0.77 -0.67 0.00 0.00 178.83 179.95 3d04 h SER 77 N 0.71 0.18 -0.95 1.46 0.02 -1.12 -0.12 113.55 113.73 3d04 h SER 77 Ca 0.12 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3d04 h SER 77 Cb 0.60 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 3d04 h SER 77 CO 0.04 0.14 0.62 1.23 -1.14 0.00 0.00 176.83 177.72 3d04 h GLY 78 N 0.28 1.37 1.06 -3.77 0.00 -0.83 -2.41 103.07 98.78 3d04 h GLY 78 Ca 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3d04 h GLY 78 CO -0.11 0.39 0.19 -1.33 0.00 0.00 0.00 176.54 175.69 3d04 h GLY 79 N 1.18 1.21 1.03 4.60 0.00 -0.05 -0.51 103.07 110.52 3d04 h GLY 79 Ca 0.38 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3d04 h GLY 79 CO -0.12 0.69 0.36 -2.75 0.00 0.00 0.00 176.54 174.71 3d04 h PHE 80 N 1.06 1.12 -0.74 5.60 3.57 -0.75 0.96 116.94 127.76 3d04 h PHE 80 Ca 0.23 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3d04 h PHE 80 Cb 0.34 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3d04 h PHE 80 CO 0.03 0.83 0.31 1.25 -2.23 0.00 0.00 178.31 178.49 3d04 h LEU 81 N 1.09 1.01 0.09 0.59 5.85 -1.20 -2.36 115.31 120.37 3d04 h LEU 81 Ca 0.26 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3d04 h LEU 81 Cb 0.14 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3d04 h LEU 81 CO -0.03 0.90 -0.04 0.00 -0.34 0.00 0.00 178.44 178.93 3d04 h ALA 82 N 1.15 -0.12 -0.37 1.25 0.00 -0.66 -1.09 119.26 119.42 3d04 h ALA 82 Ca 0.25 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3d04 h ALA 82 Cb 0.19 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3d04 h ALA 82 CO -0.02 -0.42 -0.16 0.74 0.00 0.00 0.00 179.25 179.39 3d04 h PHE 83 N -0.42 -0.38 0.00 0.00 0.04 -0.82 -2.30 116.94 113.06 3d04 h PHE 83 Ca -0.01 0.04 -0.20 0.00 2.80 0.00 0.00 57.97 60.60 3d04 h PHE 83 Cb 0.35 0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 3d04 h PHE 83 CO 0.02 -0.24 -0.94 1.79 -0.60 0.00 0.00 178.31 178.35 3d04 h THR 84 N -0.09 1.56 -0.22 -1.55 1.35 -1.43 -1.04 112.91 111.50 3d04 h THR 84 Ca 0.19 -3.22 -0.07 0.00 -0.55 0.00 0.00 66.41 62.76 3d04 h THR 84 Cb 0.37 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3d04 h THR 84 CO -0.43 0.89 -0.15 0.28 -0.25 0.00 0.00 175.52 175.85 3d04 h SER 85 N 0.00 0.35 0.04 5.36 0.02 -1.14 0.17 113.55 118.35 3d04 h SER 85 Ca -0.02 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3d04 h SER 85 Cb 1.71 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.16 3d04 h SER 85 CO 0.12 0.53 -0.02 0.25 -1.14 0.00 0.00 176.83 176.57 3d04 h LEU 86 N 0.34 -0.05 -2.08 5.07 5.85 -1.20 -3.42 115.31 119.82 3d04 h LEU 86 Ca 0.06 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3d04 h LEU 86 Cb 0.48 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3d04 h LEU 86 CO 0.03 0.67 0.00 0.79 -0.34 0.00 0.00 178.44 179.59 3d04 n TRP 87 N -4.75 0.00 -4.70 1.25 8.01 -0.41 -5.12 117.44 111.72 3d04 n TRP 87 Ca -0.06 -0.28 0.00 0.00 -1.31 0.00 0.00 57.50 55.85 3d04 n TRP 87 Cb 0.26 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 3d04 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3d04 n GLY 88 N -0.28 -1.08 3.56 6.99 0.00 0.60 -4.29 105.19 110.68 3d04 n GLY 88 Ca 0.00 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 3d04 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d04 s PHE 89 N 0.00 2.33 -0.40 1.61 5.36 -1.26 -4.33 117.98 121.28 3d04 s PHE 89 Ca 0.00 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 3d04 s PHE 89 Cb 0.00 -4.54 0.13 0.00 -0.34 0.00 0.00 43.02 38.27 3d04 s PHE 89 CO 0.00 -1.93 0.21 0.34 -1.46 0.00 0.00 175.22 172.38 3d04 s ASP 90 N 5.59 3.58 0.55 6.13 -1.08 -1.26 -4.99 116.67 125.20 3d04 s ASP 90 Ca 0.51 -2.35 0.23 0.00 -0.52 0.00 0.00 52.55 50.42 3d04 s ASP 90 Cb -0.03 -0.87 1.52 0.00 -1.46 0.00 0.00 42.92 42.09 3d04 s ASP 90 CO -0.05 -0.30 2.17 -0.65 0.52 0.00 0.00 175.17 176.86 3d04 h PRO 91 N 7.05 0.00 0.06 4.34 0.11 -1.90 -2.16 132.00 139.49 3d04 h PRO 91 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3d04 h PRO 91 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3d04 h PRO 91 CO 0.43 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.13 3d04 h GLU 92 N 0.00 -0.07 -0.25 1.05 4.39 -1.94 -1.27 114.58 116.49 3d04 h GLU 92 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3d04 h GLU 92 Cb 0.16 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3d04 h GLU 92 CO -0.00 0.24 0.09 0.82 -1.16 0.00 0.00 179.01 179.00 3d04 h ILE 93 N -0.39 1.19 -0.88 3.13 2.04 -1.95 -3.19 117.51 117.46 3d04 h ILE 93 Ca -0.01 -0.59 0.17 0.00 1.00 0.00 0.00 64.86 65.43 3d04 h ILE 93 Cb 0.35 1.10 -0.10 0.00 -0.74 0.00 0.00 36.82 37.43 3d04 h ILE 93 CO 0.01 0.19 0.44 0.00 0.00 0.00 0.00 178.15 178.80 3d04 h ALA 94 N 0.92 1.36 0.00 1.87 0.00 -1.34 -2.27 119.26 119.80 3d04 h ALA 94 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3d04 h ALA 94 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3d04 h ALA 94 CO -0.00 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.44 3d04 n LYS 95 N -4.91 0.07 0.01 0.00 2.85 -0.48 -1.64 118.16 114.06 3d04 n LYS 95 Ca 0.19 0.45 0.11 0.00 -1.05 0.00 0.00 58.31 58.01 3d04 n LYS 95 Cb 0.51 -1.68 -0.05 0.00 -0.65 0.00 0.00 35.03 33.17 3d04 n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3d04 n THR 96 N -1.82 0.09 -3.96 0.58 -2.24 -0.85 -5.00 114.28 101.07 3d04 n THR 96 Ca 0.01 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 3d04 n THR 96 Cb 0.10 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 3d04 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3d04 s LYS 97 N -3.20 3.42 0.41 -0.78 -0.14 -0.65 0.13 119.74 118.93 3d04 s LYS 97 Ca 0.03 -0.69 0.04 0.00 -1.36 0.00 0.00 55.97 53.98 3d04 s LYS 97 Cb 0.15 -2.91 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 3d04 s LYS 97 CO 0.84 0.47 0.13 0.96 -0.76 0.00 0.00 175.35 176.99 3d04 s ILE 98 N -1.86 0.59 -0.08 2.17 -4.36 0.50 -4.71 121.20 113.44 3d04 s ILE 98 Ca 0.34 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 3d04 s ILE 98 Cb -0.10 -2.34 0.02 0.00 1.25 0.00 0.00 42.46 41.29 3d04 s ILE 98 CO 0.29 0.00 -0.10 -0.69 0.24 0.00 0.00 174.94 174.67 3d04 s VAL 99 N -3.20 1.07 -0.13 8.37 1.01 -1.26 -1.62 120.40 124.63 3d04 s VAL 99 Ca 0.24 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 3d04 s VAL 99 Cb 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3d04 s VAL 99 CO 0.15 0.35 0.04 -0.31 0.00 0.00 0.00 175.10 175.33 3d04 s TYR 100 N 1.04 3.24 0.17 5.22 1.51 0.30 -4.97 117.35 123.87 3d04 s TYR 100 Ca -0.07 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.82 3d04 s TYR 100 Cb -0.15 -1.94 -0.08 0.00 -0.11 0.00 0.00 41.96 39.68 3d04 s TYR 100 CO -0.01 0.33 1.34 -0.06 -1.11 0.00 0.00 175.55 176.04 3d04 s PHE 101 N -0.30 3.25 -0.16 2.71 0.40 -1.26 -0.25 117.98 122.36 3d04 s PHE 101 Ca 0.08 1.13 -0.11 0.00 -0.60 0.00 0.00 56.93 57.43 3d04 s PHE 101 Cb -0.12 -3.63 -0.07 0.00 0.51 0.00 0.00 43.02 39.71 3d04 s PHE 101 CO 0.02 -2.06 -0.25 -1.33 0.70 0.00 0.00 175.22 172.30 3d04 n MET 102 N 3.03 0.40 -3.96 0.44 2.81 0.64 -4.88 117.12 115.60 3d04 n MET 102 Ca 0.08 0.17 -0.09 0.00 -1.81 0.00 0.00 57.70 56.04 3d04 n MET 102 Cb 0.43 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.65 3d04 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3d04 s THR 103 N -2.47 0.12 -0.03 2.03 -4.23 -0.97 -4.98 115.64 105.10 3d04 s THR 103 Ca -0.25 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 3d04 s THR 103 Cb 0.07 -0.45 -0.00 0.00 1.34 0.00 0.00 72.50 73.46 3d04 s THR 103 CO 0.33 -0.53 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.13 3d04 s ILE 104 N -1.75 1.07 0.06 2.99 1.01 -1.26 -1.47 121.20 121.85 3d04 s ILE 104 Ca -0.13 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 3d04 s ILE 104 Cb -0.07 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3d04 s ILE 104 CO -0.02 0.32 0.37 -0.62 0.00 0.00 0.00 174.94 174.99 3d04 s ASP 105 N 0.10 -0.21 -1.45 3.58 2.15 -0.14 -4.97 116.67 115.73 3d04 s ASP 105 Ca -0.03 -0.15 -0.10 0.00 0.43 0.00 0.00 52.55 52.70 3d04 s ASP 105 Cb -0.10 0.41 0.05 0.00 -0.30 0.00 0.00 42.92 42.99 3d04 s ASP 105 CO 0.01 -0.70 0.97 0.29 -0.17 0.00 0.00 175.17 175.58 3d04 n LYS 106 N 0.33 -5.92 -3.46 4.34 5.02 -1.26 -0.92 118.16 116.29 3d04 n LYS 106 Ca -0.18 0.65 -0.37 0.00 -2.02 0.00 0.00 58.31 56.39 3d04 n LYS 106 Cb 0.61 -5.52 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 3d04 n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3d04 s VAL 107 N -3.38 5.18 -0.03 -0.18 0.11 -1.26 -3.96 120.40 116.89 3d04 s VAL 107 Ca 0.50 0.77 0.01 0.00 -2.93 0.00 0.00 61.98 60.33 3d04 s VAL 107 Cb -0.24 -3.71 0.02 0.00 -1.53 0.00 0.00 36.38 30.91 3d04 s VAL 107 CO 0.80 0.43 -0.04 -0.54 -3.33 0.00 0.00 175.10 172.43 3d04 s LYS 108 N -0.01 0.64 -0.20 1.54 1.02 -0.63 -4.96 119.74 117.15 3d04 s LYS 108 Ca 0.22 -0.10 -0.07 0.00 0.02 0.00 0.00 55.97 56.04 3d04 s LYS 108 Cb -0.15 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.45 3d04 s LYS 108 CO 0.09 -0.04 0.05 -0.06 -0.92 0.00 0.00 175.35 174.48 3d04 s PHE 109 N 0.66 3.17 -0.15 3.18 0.40 -1.26 -1.01 117.98 122.96 3d04 s PHE 109 Ca -0.08 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.10 3d04 s PHE 109 Cb -0.11 -2.11 -0.08 0.00 0.51 0.00 0.00 43.02 41.23 3d04 s PHE 109 CO -0.00 -0.01 -0.18 0.54 0.70 0.00 0.00 175.22 176.27 3d04 n ARG 110 N 3.93 0.34 -4.74 0.44 1.74 0.33 -4.98 116.66 113.72 3d04 n ARG 110 Ca -0.16 0.13 -0.26 0.00 -0.77 0.00 0.00 57.85 56.78 3d04 n ARG 110 Cb 0.52 -1.14 -0.16 0.00 -1.02 0.00 0.00 32.46 30.66 3d04 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d04 s ILE 111 N -2.29 1.33 0.49 0.55 1.01 -1.17 -5.06 121.20 116.07 3d04 s ILE 111 Ca -0.21 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 3d04 s ILE 111 Cb 0.07 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 3d04 s ILE 111 CO 0.30 0.39 1.34 -2.16 0.00 0.00 0.00 174.94 174.81 3d04 s PRO 112 N 0.43 3.46 -0.16 2.79 0.04 -1.26 -4.80 135.00 135.50 3d04 s PRO 112 Ca -0.12 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 3d04 s PRO 112 Cb -0.15 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 3d04 s PRO 112 CO 0.04 -0.92 0.03 0.08 0.04 0.00 0.00 177.00 176.28 3d04 s VAL 113 N -1.31 4.55 0.16 -0.36 1.01 -1.26 -5.03 120.40 118.15 3d04 s VAL 113 Ca 0.66 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.54 3d04 s VAL 113 Cb -0.39 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3d04 s VAL 113 CO 0.48 0.49 -0.04 0.42 0.00 0.00 0.00 175.10 176.45 3d04 s THR 114 N 0.20 0.82 0.12 3.92 -4.23 -1.26 -0.13 115.64 115.09 3d04 s THR 114 Ca 0.03 -1.99 -0.35 0.00 -1.18 0.00 0.00 61.69 58.19 3d04 s THR 114 Cb -0.13 -1.98 -0.16 0.00 1.34 0.00 0.00 72.50 71.57 3d04 s THR 114 CO 0.01 -0.61 1.26 -2.65 -0.54 0.00 0.00 174.62 172.08 3d04 n PRO 115 N -0.20 1.12 0.00 3.99 -0.02 -1.26 -1.92 135.00 136.70 3d04 n PRO 115 Ca -0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3d04 n PRO 115 Cb 0.62 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3d04 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d04 n GLY 116 N 2.29 0.45 3.81 -1.23 0.00 0.17 -4.90 105.19 105.78 3d04 n GLY 116 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3d04 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d04 s ASP 117 N -1.96 7.12 -0.48 1.61 -0.00 -0.81 -4.91 116.67 117.25 3d04 s ASP 117 Ca 0.00 1.47 -0.16 0.00 -0.00 0.00 0.00 52.55 53.86 3d04 s ASP 117 Cb 0.00 -2.44 0.07 0.00 -0.00 0.00 0.00 42.92 40.55 3d04 s ASP 117 CO 0.00 0.05 0.44 -0.60 -0.00 0.00 0.00 175.17 175.06 3d04 s ARG 118 N -1.86 3.01 -0.63 8.23 3.52 -1.26 -0.74 118.95 129.22 3d04 s ARG 118 Ca 0.42 -1.22 -0.23 0.00 -0.13 0.00 0.00 55.73 54.57 3d04 s ARG 118 Cb -0.18 -4.11 0.06 0.00 -1.56 0.00 0.00 34.95 29.16 3d04 s ARG 118 CO 0.22 -1.05 0.97 -1.17 -0.81 0.00 0.00 175.30 173.45 3d04 s LEU 119 N 1.86 4.27 -0.18 -0.88 2.96 0.12 -4.38 118.68 122.45 3d04 s LEU 119 Ca 0.07 -0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 53.02 3d04 s LEU 119 Cb -0.23 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3d04 s LEU 119 CO 0.08 -1.40 0.30 -0.70 -1.32 0.00 0.00 176.35 173.31 3d04 s GLU 120 N 4.09 4.22 -0.19 1.98 2.12 -0.14 -0.41 118.70 130.37 3d04 s GLU 120 Ca 0.24 0.07 -0.09 0.00 0.36 0.00 0.00 54.97 55.56 3d04 s GLU 120 Cb -0.15 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3d04 s GLU 120 CO 0.13 0.15 0.10 0.71 -0.54 0.00 0.00 175.26 175.80 3d04 s TYR 121 N 0.75 3.31 -0.28 5.30 1.51 0.37 -0.18 117.35 128.13 3d04 s TYR 121 Ca 0.16 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.42 3d04 s TYR 121 Cb -0.13 -2.13 0.07 0.00 -0.11 0.00 0.00 41.96 39.66 3d04 s TYR 121 CO 0.05 0.19 -0.05 -1.01 -1.11 0.00 0.00 175.55 173.61 3d04 s HIS 122 N 0.44 3.36 -0.04 2.71 3.76 0.03 -1.19 115.29 124.37 3d04 s HIS 122 Ca 0.05 -2.51 0.06 0.00 -0.15 0.00 0.00 55.06 52.51 3d04 s HIS 122 Cb -0.12 -2.23 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3d04 s HIS 122 CO -0.00 -0.90 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.27 3d04 s LEU 123 N 1.06 2.01 0.22 0.89 2.01 -0.51 -1.04 118.68 123.32 3d04 s LEU 123 Ca -0.02 -0.42 0.11 0.00 0.01 0.00 0.00 54.13 53.81 3d04 s LEU 123 Cb -0.20 -1.16 -0.05 0.00 0.01 0.00 0.00 46.19 44.79 3d04 s LEU 123 CO -0.06 0.23 -0.22 -1.83 1.01 0.00 0.00 176.35 175.48 3d04 s GLU 124 N -0.24 1.60 -0.10 1.70 -1.05 -0.17 -0.33 118.70 120.11 3d04 s GLU 124 Ca 0.01 -1.58 -0.30 0.00 -0.15 0.00 0.00 54.97 52.96 3d04 s GLU 124 Cb -0.11 -1.85 -0.02 0.00 -0.44 0.00 0.00 34.13 31.71 3d04 s GLU 124 CO 0.01 0.38 1.11 0.08 0.95 0.00 0.00 175.26 177.79 3d04 s VAL 125 N -1.91 4.52 -0.16 1.83 1.01 -0.26 -1.64 120.40 123.79 3d04 s VAL 125 Ca 0.24 1.82 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 3d04 s VAL 125 Cb -0.07 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 3d04 s VAL 125 CO 0.12 -0.03 0.28 0.18 0.00 0.00 0.00 175.10 175.65 3d04 n LEU 126 N 5.32 2.38 -3.55 3.92 4.77 0.57 -4.94 117.00 125.47 3d04 n LEU 126 Ca 0.10 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 3d04 n LEU 126 Cb 0.47 -1.06 -0.06 0.00 -2.33 0.00 0.00 43.42 40.44 3d04 n LEU 126 CO 0.54 0.66 0.53 -0.75 -1.33 0.00 0.00 177.39 177.04 3d04 s LYS 127 N -2.49 0.89 0.01 3.23 2.20 -0.81 -5.03 119.74 117.75 3d04 s LYS 127 Ca -0.25 0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.55 3d04 s LYS 127 Cb 0.07 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 3d04 s LYS 127 CO 0.70 -0.25 0.30 -3.38 -0.36 0.00 0.00 175.35 172.36 3d04 s HIS 128 N -0.92 -0.14 -0.25 4.03 -3.43 -1.26 0.25 115.29 113.56 3d04 s HIS 128 Ca -0.07 0.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.26 3d04 s HIS 128 Cb -0.01 0.09 0.13 0.00 -1.43 0.00 0.00 32.58 31.36 3d04 s HIS 128 CO 0.06 -0.44 0.50 0.21 -2.00 0.00 0.00 174.74 173.08 3d04 s LYS 129 N -1.85 0.44 6.87 -0.38 2.20 -0.18 -5.03 119.74 121.80 3d04 s LYS 129 Ca -0.10 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 3d04 s LYS 129 Cb -0.03 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3d04 s LYS 129 CO 0.01 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 3d04 n GLY 130 N 5.41 3.52 0.04 5.54 0.00 -1.26 -1.05 105.19 117.39 3d04 n GLY 130 Ca -0.07 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3d04 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d04 n MET 131 N 10.60 0.24 -2.86 1.61 2.81 -1.26 -4.85 117.12 123.40 3d04 n MET 131 Ca 0.00 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 3d04 n MET 131 Cb 0.00 -1.62 -0.04 0.00 -0.71 0.00 0.00 33.22 30.84 3d04 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3d04 s ILE 132 N -3.14 4.71 -0.11 2.02 -1.09 -0.21 -2.34 121.20 121.03 3d04 s ILE 132 Ca 0.06 1.30 0.02 0.00 -2.23 0.00 0.00 60.65 59.81 3d04 s ILE 132 Cb 0.14 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 3d04 s ILE 132 CO 0.74 -0.33 -0.17 0.26 -1.23 0.00 0.00 174.94 174.21 3d04 s TRP 133 N 3.16 2.15 -0.27 3.97 0.52 -0.15 -1.01 118.94 127.30 3d04 s TRP 133 Ca 0.36 -1.00 -0.05 0.00 0.02 0.00 0.00 56.10 55.43 3d04 s TRP 133 Cb -0.13 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3d04 s TRP 133 CO 0.14 -0.48 0.02 -1.14 0.02 0.00 0.00 176.95 175.51 3d04 s GLN 134 N 0.84 3.07 0.28 4.98 0.74 0.14 -0.79 119.66 128.91 3d04 s GLN 134 Ca -0.09 -0.85 0.11 0.00 0.05 0.00 0.00 55.36 54.58 3d04 s GLN 134 Cb -0.15 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 3d04 s GLN 134 CO 0.00 -0.39 -0.18 0.14 -0.55 0.00 0.00 175.29 174.31 3d04 s VAL 135 N 1.45 2.33 0.05 1.34 -7.23 0.33 -0.32 120.40 118.35 3d04 s VAL 135 Ca 0.02 -2.35 -0.19 0.00 -1.81 0.00 0.00 61.98 57.66 3d04 s VAL 135 Cb -0.17 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.50 3d04 s VAL 135 CO -0.00 -0.40 0.43 -0.83 -0.31 0.00 0.00 175.10 173.99 3d04 s GLY 136 N -3.50 -0.30 0.00 2.32 0.00 -0.65 -0.66 107.32 104.53 3d04 s GLY 136 Ca 0.29 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.34 3d04 s GLY 136 CO 0.14 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.91 3d04 n GLY 137 N 0.42 -0.71 3.15 0.20 0.00 -0.65 -1.00 105.19 106.60 3d04 n GLY 137 Ca -0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3d04 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d04 s THR 138 N -4.00 0.45 -0.09 2.61 -4.23 -0.21 -1.98 115.64 108.19 3d04 s THR 138 Ca 0.00 -1.90 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3d04 s THR 138 Cb 0.00 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 3d04 s THR 138 CO 0.00 -0.78 -0.06 0.00 -0.54 0.00 0.00 174.62 173.24 3d04 s ALA 139 N -3.79 2.97 0.04 3.99 0.00 -0.25 -0.79 121.76 123.94 3d04 s ALA 139 Ca 0.14 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.29 3d04 s ALA 139 Cb 0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3d04 s ALA 139 CO -0.04 0.46 -0.15 -0.65 0.00 0.00 0.00 175.76 175.39 3d04 s GLN 140 N -0.44 1.00 -0.12 0.00 -0.21 0.75 -0.55 119.66 120.09 3d04 s GLN 140 Ca 0.07 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.69 3d04 s GLN 140 Cb -0.12 -1.02 0.02 0.00 1.00 0.00 0.00 33.01 32.89 3d04 s GLN 140 CO 0.02 0.25 -0.11 0.08 -2.12 0.00 0.00 175.29 173.42 3d04 s VAL 141 N -0.81 1.24 -1.36 1.09 1.01 -0.10 -0.96 120.40 120.51 3d04 s VAL 141 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 3d04 s VAL 141 Cb -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3d04 s VAL 141 CO 0.01 0.40 0.57 -0.67 0.00 0.00 0.00 175.10 175.41 3d04 n ASP 142 N 4.73 -0.82 0.00 3.32 4.64 -1.26 -1.65 116.55 125.51 3d04 n ASP 142 Ca -0.15 -0.91 0.00 0.00 -1.38 0.00 0.00 54.79 52.35 3d04 n ASP 142 Cb 0.50 -3.58 0.00 0.00 -1.04 0.00 0.00 41.12 37.00 3d04 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3d04 n GLY 143 N -1.76 1.30 3.69 0.27 0.00 -1.26 -5.00 105.19 102.43 3d04 n GLY 143 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3d04 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d04 s LYS 144 N -0.15 3.61 -0.20 1.61 1.02 -0.66 -5.07 119.74 119.91 3d04 s LYS 144 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 3d04 s LYS 144 Cb 0.00 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 3d04 s LYS 144 CO 0.00 0.48 1.62 0.08 -0.92 0.00 0.00 175.35 176.61 3d04 s VAL 145 N -0.23 3.68 -0.10 3.17 1.01 -1.26 -0.92 120.40 125.75 3d04 s VAL 145 Ca 0.08 0.78 0.22 0.00 0.00 0.00 0.00 61.98 63.06 3d04 s VAL 145 Cb -0.12 -3.67 -0.30 0.00 0.00 0.00 0.00 36.38 32.29 3d04 s VAL 145 CO 0.01 -0.25 0.55 1.33 0.00 0.00 0.00 175.10 176.74 3d04 n VAL 146 N 6.27 0.05 -3.54 2.92 0.24 0.29 -4.54 118.33 120.02 3d04 n VAL 146 Ca 0.19 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 3d04 n VAL 146 Cb 0.45 0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3d04 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d04 s ALA 147 N -3.48 -1.74 0.08 2.33 0.00 -1.13 -0.52 121.76 117.31 3d04 s ALA 147 Ca -0.07 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.33 3d04 s ALA 147 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3d04 s ALA 147 CO 0.90 -0.36 -0.22 -1.21 0.00 0.00 0.00 175.76 174.87 3d04 s GLU 148 N -1.04 1.27 0.03 0.00 2.02 -0.18 -1.08 118.70 119.71 3d04 s GLU 148 Ca -0.10 -1.10 -0.28 0.00 0.02 0.00 0.00 54.97 53.51 3d04 s GLU 148 Cb -0.01 -1.50 0.07 0.00 0.10 0.00 0.00 34.13 32.79 3d04 s GLU 148 CO 0.09 0.36 0.65 0.00 0.02 0.00 0.00 175.26 176.39 3d04 s ALA 149 N -1.01 -1.71 0.03 5.21 0.00 -0.84 -1.60 121.76 121.85 3d04 s ALA 149 Ca 0.08 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.12 3d04 s ALA 149 Cb -0.10 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3d04 s ALA 149 CO 0.03 -0.52 -0.18 -1.21 0.00 0.00 0.00 175.76 173.89 3d04 s GLU 150 N -2.13 1.25 0.04 0.00 2.02 -0.10 -1.64 118.70 118.15 3d04 s GLU 150 Ca -0.07 -0.83 -0.20 0.00 0.02 0.00 0.00 54.97 53.89 3d04 s GLU 150 Cb -0.00 -1.31 0.04 0.00 0.10 0.00 0.00 34.13 32.96 3d04 s GLU 150 CO 0.02 0.34 0.47 -0.48 0.02 0.00 0.00 175.26 175.62 3d04 s LEU 151 N -1.04 0.16 -0.07 1.80 0.05 0.17 -0.96 118.68 118.79 3d04 s LEU 151 Ca 0.06 0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.38 3d04 s LEU 151 Cb -0.08 1.93 0.00 0.00 -2.05 0.00 0.00 46.19 45.99 3d04 s LEU 151 CO 0.01 -0.68 -0.17 -0.75 -0.55 0.00 0.00 176.35 174.21 3d04 s LYS 152 N -2.35 2.12 0.12 1.48 2.20 -0.54 -0.52 119.74 122.26 3d04 s LYS 152 Ca -0.06 -0.61 0.06 0.00 -0.36 0.00 0.00 55.97 55.00 3d04 s LYS 152 Cb -0.01 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.56 3d04 s LYS 152 CO -0.01 0.14 -0.15 0.00 -0.36 0.00 0.00 175.35 174.97 3d04 s ALA 153 N 0.38 1.56 -0.08 3.13 0.00 0.03 -0.26 121.76 126.52 3d04 s ALA 153 Ca -0.13 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.59 3d04 s ALA 153 Cb -0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3d04 s ALA 153 CO 0.05 0.15 -0.24 1.41 0.00 0.00 0.00 175.76 177.12 3d04 s MET 154 N -2.55 2.77 -0.07 0.00 1.75 0.65 -0.98 119.30 120.88 3d04 s MET 154 Ca 0.09 -0.88 -0.20 0.00 -1.25 0.00 0.00 55.69 53.45 3d04 s MET 154 Cb -0.06 -2.21 -0.04 0.00 2.84 0.00 0.00 34.83 35.36 3d04 s MET 154 CO 0.04 0.28 0.56 0.42 -0.65 0.00 0.00 175.02 175.66 3d04 s ILE 155 N 0.10 5.06 0.06 10.11 1.01 -0.99 -0.54 121.20 136.01 3d04 s ILE 155 Ca -0.11 1.15 0.02 0.00 0.00 0.00 0.00 60.65 61.70 3d04 s ILE 155 Cb -0.16 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3d04 s ILE 155 CO 0.06 0.35 -0.07 0.00 0.00 0.00 0.00 174.94 175.29 3d04 s ALA 156 N 0.33 0.69 0.25 9.38 0.00 -0.64 -4.82 121.76 126.96 3d04 s ALA 156 Ca 0.30 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 3d04 s ALA 156 Cb -0.17 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 3d04 s ALA 156 CO 0.14 -0.13 1.39 -1.21 0.00 0.00 0.00 175.76 175.95 3d04 s GLU 157 N -2.57 4.31 0.00 0.00 0.41 -1.26 -0.37 118.70 119.21 3d04 s GLU 157 Ca -0.01 2.23 0.12 0.00 -0.41 0.00 0.00 54.97 56.89 3d04 s GLU 157 Cb -0.03 -3.13 0.70 0.00 -1.78 0.00 0.00 34.13 29.89 3d04 s GLU 157 CO -0.02 -0.35 1.14 -2.13 -0.49 0.00 0.00 175.26 173.41