#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx n ILE 18 N 0.00 0.02 -4.39 1.96 0.00 -1.26 -3.65 119.36 112.03 2vtx n ILE 18 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 62.75 62.47 2vtx n ILE 18 Cb 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 39.64 38.20 2vtx n ILE 18 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 2vtx s TRP 19 N 0.90 2.37 0.11 9.51 -0.00 0.23 -5.00 118.94 127.07 2vtx s TRP 19 Ca 0.81 -0.33 -0.19 0.00 -0.00 0.00 0.00 56.10 56.39 2vtx s TRP 19 Cb -0.77 -1.19 0.05 0.00 -0.00 0.00 0.00 33.47 31.56 2vtx s TRP 19 CO 0.41 0.48 0.47 0.20 -0.00 0.00 0.00 176.95 178.52 2vtx s GLY 20 N -2.61 -0.39 0.10 5.86 0.00 -1.26 -0.93 107.32 108.09 2vtx s GLY 20 Ca 0.21 0.24 -0.06 0.00 0.00 0.00 0.00 44.72 45.11 2vtx s GLY 20 CO 0.10 -0.04 0.14 0.00 0.00 0.00 0.00 173.10 173.31 2vtx s GLU 22 N -3.92 3.35 -0.15 0.00 2.12 -1.26 -1.09 118.70 117.75 2vtx s GLU 22 Ca 0.10 -0.64 -0.12 0.00 0.36 0.00 0.00 54.97 54.68 2vtx s GLU 22 Cb 0.06 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 2vtx s GLU 22 CO -0.07 -0.20 0.24 -0.51 -0.54 0.00 0.00 175.26 174.18 2vtx s LEU 23 N 1.47 4.27 0.00 2.70 1.43 0.09 -4.91 118.68 123.72 2vtx s LEU 23 Ca 0.06 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 2vtx s LEU 23 Cb -0.14 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2vtx s LEU 23 CO -0.04 0.17 0.21 -0.46 0.23 0.00 0.00 176.35 176.46 2vtx n ASN 24 N 3.24 0.34 -0.35 2.29 0.23 -0.89 -0.32 115.26 119.80 2vtx n ASN 24 Ca -0.14 -3.16 0.02 0.00 -0.53 0.00 0.00 54.58 50.77 2vtx n ASN 24 Cb 0.52 1.31 0.08 0.00 -2.08 0.00 0.00 39.78 39.62 2vtx n ASN 24 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2vtx n GLU 25 N -0.78 -0.16 -0.06 -3.83 2.13 -0.63 -2.06 120.64 115.25 2vtx n GLU 25 Ca 0.00 1.47 -0.13 0.00 0.66 0.00 0.00 57.16 59.16 2vtx n GLU 25 Cb 0.60 -2.19 -0.06 0.00 0.27 0.00 0.00 31.44 30.06 2vtx n GLU 25 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2vtx h GLN 26 N 0.00 0.48 -2.24 5.31 7.50 -1.97 -3.38 115.11 120.80 2vtx h GLN 26 Ca 0.39 -0.27 -0.61 0.00 0.50 0.00 0.00 58.65 58.67 2vtx h GLN 26 Cb 0.63 0.02 -0.41 0.00 0.05 0.00 0.00 27.48 27.76 2vtx h GLN 26 CO -0.96 0.85 -0.52 0.09 -1.50 0.00 0.00 178.83 176.79 2vtx n ASN 27 N -4.43 4.04 0.24 1.46 3.02 -1.09 -4.88 115.26 113.62 2vtx n ASN 27 Ca -0.06 -3.49 0.11 0.00 -0.03 0.00 0.00 54.58 51.12 2vtx n ASN 27 Cb 0.42 -0.68 0.56 0.00 -0.61 0.00 0.00 39.78 39.46 2vtx n ASN 27 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2vtx h LYS 28 N 4.04 0.00 -6.43 3.52 1.57 -1.61 -2.37 116.57 115.30 2vtx h LYS 28 Ca 0.19 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.29 2vtx h LYS 28 Cb 0.63 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.73 2vtx h LYS 28 CO 0.86 0.19 -0.77 0.99 -0.57 0.00 0.00 179.45 180.15 2vtx s THR 29 N -3.83 3.09 -0.13 -0.16 2.01 -1.26 -0.01 115.64 115.35 2vtx s THR 29 Ca -0.01 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 2vtx s THR 29 Cb 0.11 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.39 2vtx s THR 29 CO 0.62 0.43 0.30 0.12 -0.69 0.00 0.00 174.62 175.40 2vtx s PHE 30 N -0.88 -0.43 -0.12 4.92 5.36 0.37 -4.98 117.98 122.22 2vtx s PHE 30 Ca 0.14 0.97 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 2vtx s PHE 30 Cb -0.11 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 2vtx s PHE 30 CO 0.04 -0.28 -0.06 -2.00 -1.46 0.00 0.00 175.22 171.47 2vtx s GLU 31 N 1.35 3.31 -0.28 10.12 2.12 -1.26 0.21 118.70 134.28 2vtx s GLU 31 Ca -0.09 -0.55 -0.06 0.00 0.36 0.00 0.00 54.97 54.63 2vtx s GLU 31 Cb -0.10 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.53 2vtx s GLU 31 CO -0.10 0.39 0.05 0.12 -0.54 0.00 0.00 175.26 175.19 2vtx s PHE 32 N -0.07 3.11 -0.03 5.30 5.36 0.22 -4.96 117.98 126.91 2vtx s PHE 32 Ca 0.01 -0.93 0.07 0.00 -0.96 0.00 0.00 56.93 55.12 2vtx s PHE 32 Cb -0.13 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.31 2vtx s PHE 32 CO 0.03 -0.55 -0.25 -1.59 -1.46 0.00 0.00 175.22 171.39 2vtx s LYS 33 N 1.50 2.20 0.00 10.12 0.00 -1.26 -0.14 119.74 132.16 2vtx s LYS 33 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 55.97 55.10 2vtx s LYS 33 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 37.83 35.62 2vtx s LYS 33 CO 0.01 0.50 0.00 1.33 0.00 0.00 0.00 175.35 177.19 2vtx n VAL 34 N 2.60 0.00 -0.61 1.79 0.24 -1.26 -5.08 118.33 116.01 2vtx n VAL 34 Ca -0.16 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.21 2vtx n VAL 34 Cb 0.51 -1.88 -0.04 0.00 -1.47 0.00 0.00 33.84 30.97 2vtx n VAL 34 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2vtx n LYS 40 N 0.00 -1.42 0.00 7.34 2.85 -1.26 -5.12 118.16 120.55 2vtx n LYS 40 Ca 0.00 1.17 0.00 0.00 -1.05 0.00 0.00 58.31 58.43 2vtx n LYS 40 Cb 0.00 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 2vtx n LYS 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2vtx s GLU 42 N -4.17 2.45 0.08 0.00 2.12 -1.26 -5.18 118.70 112.73 2vtx s GLU 42 Ca 0.00 -3.28 0.04 0.00 0.36 0.00 0.00 54.97 52.09 2vtx s GLU 42 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2vtx s GLU 42 CO 0.00 -1.27 -0.00 -1.01 -0.54 0.00 0.00 175.26 172.44 2vtx s HIS 43 N -1.35 3.00 0.32 5.30 3.76 -1.26 -5.00 115.29 120.07 2vtx s HIS 43 Ca 0.24 -0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 55.12 2vtx s HIS 43 Cb -0.07 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 2vtx s HIS 43 CO -0.15 0.48 0.56 -0.65 -0.85 0.00 0.00 174.74 174.12 2vtx s GLN 44 N -2.19 3.55 -0.27 1.40 -0.21 -0.62 -4.51 119.66 116.81 2vtx s GLN 44 Ca 0.25 -0.16 -0.09 0.00 0.02 0.00 0.00 55.36 55.38 2vtx s GLN 44 Cb -0.12 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 2vtx s GLN 44 CO 0.17 0.17 0.14 -1.17 -2.12 0.00 0.00 175.29 172.47 2vtx s LEU 45 N -3.97 3.77 -0.24 2.90 2.96 0.27 -1.58 118.68 122.79 2vtx s LEU 45 Ca 0.42 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 2vtx s LEU 45 Cb -0.10 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2vtx s LEU 45 CO 0.34 -0.05 0.15 0.00 -1.32 0.00 0.00 176.35 175.47 2vtx s ALA 46 N 1.69 3.55 0.41 5.97 0.00 -0.26 -0.56 121.76 132.57 2vtx s ALA 46 Ca 0.07 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2vtx s ALA 46 Cb -0.16 -2.30 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 2vtx s ALA 46 CO 0.08 -0.24 0.96 -0.51 0.00 0.00 0.00 175.76 176.05 2vtx s LEU 47 N 1.15 4.04 -0.04 0.00 1.43 -0.53 -1.40 118.68 123.34 2vtx s LEU 47 Ca 0.07 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 2vtx s LEU 47 Cb -0.14 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2vtx s LEU 47 CO 0.05 -0.32 -0.08 0.54 0.23 0.00 0.00 176.35 176.77 2vtx n ARG 48 N -0.33 0.13 -3.71 1.70 5.12 0.55 -4.66 116.66 115.45 2vtx n ARG 48 Ca 0.06 0.06 -0.14 0.00 -1.93 0.00 0.00 57.85 55.89 2vtx n ARG 48 Cb 0.53 -0.72 -0.08 0.00 -1.16 0.00 0.00 32.46 31.02 2vtx n ARG 48 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2vtx s THR 49 N -2.13 0.03 -0.06 0.55 -4.23 -1.18 -1.54 115.64 107.07 2vtx s THR 49 Ca -0.08 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 2vtx s THR 49 Cb 0.03 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.17 2vtx s THR 49 CO 0.11 -0.14 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.14 2vtx s VAL 50 N -0.83 2.32 0.21 2.29 1.01 -0.61 0.02 120.40 124.81 2vtx s VAL 50 Ca -0.09 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 2vtx s VAL 50 Cb -0.04 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2vtx s VAL 50 CO 0.04 0.57 0.35 0.00 0.00 0.00 0.00 175.10 176.06 2vtx s LEU 52 N -3.02 4.01 0.68 0.00 1.43 -0.70 -0.94 118.68 120.14 2vtx s LEU 52 Ca 0.23 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 2vtx s LEU 52 Cb 0.02 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.81 2vtx s LEU 52 CO 0.06 0.24 1.08 -0.83 0.23 0.00 0.00 176.35 177.13 2vtx s GLY 53 N -1.97 1.90 0.32 -3.19 0.00 -0.90 -4.94 107.32 98.54 2vtx s GLY 53 Ca 0.26 0.31 0.26 0.00 0.00 0.00 0.00 44.72 45.55 2vtx s GLY 53 CO 0.18 0.64 1.78 1.29 0.00 0.00 0.00 173.10 176.98 2vtx h ASP 54 N -0.34 0.00 -0.53 1.64 2.03 -1.98 -1.40 116.42 115.84 2vtx h ASP 54 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2vtx h ASP 54 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2vtx h ASP 54 CO 0.55 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.05 2vtx n LYS 55 N -2.45 3.06 -1.93 4.15 4.01 -1.26 -5.02 118.16 118.72 2vtx n LYS 55 Ca 0.02 -2.52 -0.40 0.00 -0.51 0.00 0.00 58.31 54.90 2vtx n LYS 55 Cb 0.28 -1.57 -0.00 0.00 -0.51 0.00 0.00 35.03 33.23 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2vtx s ALA 56 N -1.39 3.39 0.85 7.82 0.00 -0.53 -4.85 121.76 127.05 2vtx s ALA 56 Ca 0.40 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.65 2vtx s ALA 56 Cb 0.23 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.91 2vtx s ALA 56 CO 0.22 -0.95 1.12 0.15 0.00 0.00 0.00 175.76 176.30 2vtx s LYS 57 N -2.16 1.58 -1.28 0.00 1.02 -1.26 -4.87 119.74 112.77 2vtx s LYS 57 Ca 0.55 1.35 -0.13 0.00 0.02 0.00 0.00 55.97 57.75 2vtx s LYS 57 Cb -0.42 -1.81 0.13 0.00 -0.52 0.00 0.00 37.83 35.21 2vtx s LYS 57 CO 0.56 -2.17 1.73 -3.47 -0.92 0.00 0.00 175.35 171.07 2vtx n ASP 58 N -3.90 4.94 -3.90 2.83 4.64 -1.26 -4.48 116.55 115.42 2vtx n ASP 58 Ca 0.10 -2.98 -0.10 0.00 -1.38 0.00 0.00 54.79 50.44 2vtx n ASP 58 Cb 0.53 -1.60 -0.06 0.00 -1.04 0.00 0.00 41.12 38.95 2vtx n ASP 58 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 2vtx s GLU 59 N 2.03 1.22 -0.12 -0.67 -1.05 -1.26 -4.94 118.70 113.91 2vtx s GLU 59 Ca 0.45 -1.09 -0.29 0.00 -0.15 0.00 0.00 54.97 53.89 2vtx s GLU 59 Cb 0.04 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.12 2vtx s GLU 59 CO 0.01 -0.47 1.42 -0.06 0.95 0.00 0.00 175.26 177.11 2vtx s PHE 60 N -3.94 2.50 -0.20 4.83 0.40 -1.26 -4.36 117.98 115.95 2vtx s PHE 60 Ca 0.15 0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 57.09 2vtx s PHE 60 Cb 0.02 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 39.85 2vtx s PHE 60 CO -0.01 -2.58 0.03 -1.01 0.70 0.00 0.00 175.22 172.35 2vtx s HIS 61 N 3.67 3.12 -0.08 0.36 3.76 -0.15 -3.33 115.29 122.64 2vtx s HIS 61 Ca 0.62 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.33 2vtx s HIS 61 Cb -0.27 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 2vtx s HIS 61 CO 0.21 -0.09 -0.14 0.42 -0.85 0.00 0.00 174.74 174.29 2vtx s ILE 62 N 0.82 3.08 -0.13 0.60 1.01 -0.36 -0.14 121.20 126.08 2vtx s ILE 62 Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2vtx s ILE 62 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.11 2vtx s ILE 62 CO 0.02 0.57 -0.18 0.54 0.00 0.00 0.00 174.94 175.89 2vtx s VAL 63 N -0.38 1.79 0.11 2.92 0.11 -0.10 -2.18 120.40 122.67 2vtx s VAL 63 Ca 0.04 -0.81 0.08 0.00 -2.93 0.00 0.00 61.98 58.36 2vtx s VAL 63 Cb -0.12 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 2vtx s VAL 63 CO 0.02 0.50 -0.20 -1.83 -3.33 0.00 0.00 175.10 170.26 2vtx s GLU 64 N 0.97 1.13 -0.24 1.54 -1.05 0.72 -0.62 118.70 121.15 2vtx s GLU 64 Ca -0.05 -1.20 -0.11 0.00 -0.15 0.00 0.00 54.97 53.45 2vtx s GLU 64 Cb -0.15 -1.32 -0.05 0.00 -0.44 0.00 0.00 34.13 32.17 2vtx s GLU 64 CO -0.03 0.30 0.19 0.42 0.95 0.00 0.00 175.26 177.09 2vtx s ILE 65 N -1.40 5.34 -0.25 1.83 1.01 0.98 -0.71 121.20 128.00 2vtx s ILE 65 Ca 0.08 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 2vtx s ILE 65 Cb -0.09 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2vtx s ILE 65 CO 0.05 0.33 0.27 -0.69 0.00 0.00 0.00 174.94 174.89 2vtx s VAL 66 N 1.10 5.27 0.00 2.92 1.01 -1.00 -0.11 120.40 129.60 2vtx s VAL 66 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2vtx s VAL 66 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2vtx s VAL 66 CO 0.05 0.25 0.00 -0.90 0.00 0.00 0.00 175.10 174.50 2vtx n ASP 67 N 4.80 0.46 -4.50 3.32 5.75 -1.26 -3.84 116.55 121.28 2vtx n ASP 67 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.23 2vtx n ASP 67 Cb 0.51 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.60 2vtx n ASP 67 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2vtx s GLU 73 N 1.48 3.90 -0.84 0.11 2.02 -1.26 -5.03 118.70 119.08 2vtx s GLU 73 Ca 0.00 -2.08 -0.19 0.00 0.02 0.00 0.00 54.97 52.72 2vtx s GLU 73 Cb 0.00 -5.19 0.12 0.00 0.10 0.00 0.00 34.13 29.16 2vtx s GLU 73 CO 0.00 -1.95 1.05 -1.59 0.02 0.00 0.00 175.26 172.79 2vtx s LYS 74 N 2.91 3.45 0.18 1.61 0.00 -1.26 -5.06 119.74 121.58 2vtx s LYS 74 Ca 0.44 -1.55 -0.30 0.00 0.00 0.00 0.00 55.97 54.56 2vtx s LYS 74 Cb -0.01 -4.71 -0.08 0.00 0.00 0.00 0.00 37.83 33.04 2vtx s LYS 74 CO -0.01 -1.75 1.06 -1.12 0.00 0.00 0.00 175.35 173.53 2vtx s SER 75 N 3.60 7.34 -0.26 0.03 0.01 -1.26 -4.77 113.70 118.39 2vtx s SER 75 Ca 0.28 2.04 0.03 0.00 1.31 0.00 0.00 55.95 59.62 2vtx s SER 75 Cb -0.09 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.59 2vtx s SER 75 CO -0.04 -0.15 -0.11 -0.69 0.41 0.00 0.00 173.24 172.66 2vtx s VAL 76 N -0.38 2.18 0.31 3.43 1.01 0.84 -4.97 120.40 122.82 2vtx s VAL 76 Ca 0.48 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 2vtx s VAL 76 Cb -0.28 -2.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 2vtx s VAL 76 CO 0.34 -0.01 1.38 -2.16 0.00 0.00 0.00 175.10 174.66 2vtx s PRO 77 N 1.11 4.28 0.00 2.72 0.04 -1.26 -0.01 135.00 141.88 2vtx s PRO 77 Ca -0.08 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2vtx s PRO 77 Cb -0.20 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2vtx s PRO 77 CO -0.05 -0.33 0.00 0.44 0.04 0.00 0.00 177.00 177.10 2vtx n ILE 78 N 1.30 0.00 -3.90 0.56 -5.35 0.20 -4.93 119.36 107.25 2vtx n ILE 78 Ca 0.03 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.40 2vtx n ILE 78 Cb 0.41 -0.41 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 2vtx n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vtx s ALA 79 N -1.45 -0.15 -0.21 -1.28 0.00 -1.13 -4.99 121.76 112.55 2vtx s ALA 79 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 2vtx s ALA 79 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2vtx s ALA 79 CO 0.00 -0.15 -0.13 0.99 0.00 0.00 0.00 175.76 176.47 2vtx s THR 80 N -1.04 2.48 0.35 0.00 2.01 -1.26 -0.93 115.64 117.25 2vtx s THR 80 Ca -0.11 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.00 2vtx s THR 80 Cb -0.07 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 2vtx s THR 80 CO 0.00 0.38 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.51 2vtx s LEU 81 N 1.31 2.67 -0.28 4.42 1.43 0.80 -4.95 118.68 124.08 2vtx s LEU 81 Ca 0.02 -1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 2vtx s LEU 81 Cb -0.15 -0.82 0.10 0.00 0.03 0.00 0.00 46.19 45.34 2vtx s LEU 81 CO -0.09 -0.36 0.79 -0.75 0.23 0.00 0.00 176.35 176.18 2vtx s LYS 82 N -3.70 0.64 0.20 1.70 2.20 -0.70 -0.98 119.74 119.10 2vtx s LYS 82 Ca 0.33 1.01 -0.13 0.00 -0.36 0.00 0.00 55.97 56.81 2vtx s LYS 82 Cb 0.06 0.18 0.21 0.00 -1.51 0.00 0.00 37.83 36.78 2vtx s LYS 82 CO 0.16 -0.12 1.66 -1.35 -0.36 0.00 0.00 175.35 175.34 2vtx h PRO 83 N 6.18 0.06 -0.00 4.03 0.11 -1.79 0.27 132.00 140.86 2vtx h PRO 83 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2vtx h PRO 83 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2vtx h PRO 83 CO 0.14 0.04 -0.06 -1.13 -0.21 0.00 0.00 178.00 176.79 2vtx n SER 84 N -5.31 0.51 -0.03 -2.05 3.41 -1.26 -4.25 113.62 104.63 2vtx n SER 84 Ca 0.06 -0.83 -0.08 0.00 -0.26 0.00 0.00 58.87 57.77 2vtx n SER 84 Cb 0.30 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2vtx n SER 84 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2vtx n ILE 85 N -0.78 0.55 -3.23 -1.33 2.08 -0.69 -5.02 119.36 110.94 2vtx n ILE 85 Ca 0.18 -0.06 -0.03 0.00 0.56 0.00 0.00 62.75 63.40 2vtx n ILE 85 Cb 0.25 -1.63 -0.03 0.00 -0.75 0.00 0.00 39.64 37.48 2vtx n ILE 85 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2vtx s LEU 86 N -6.53 -1.20 -0.04 1.39 2.96 0.00 -4.96 118.68 110.30 2vtx s LEU 86 Ca -0.11 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2vtx s LEU 86 Cb 0.04 1.60 0.33 0.00 0.50 0.00 0.00 46.19 48.66 2vtx s LEU 86 CO 0.14 -0.27 1.20 -0.81 -1.32 0.00 0.00 176.35 175.29 2vtx n PRO 87 N 4.95 2.14 -3.59 0.98 -0.04 -1.23 -1.72 135.00 136.49 2vtx n PRO 87 Ca 0.07 -1.33 -0.05 0.00 -0.04 0.00 0.00 63.50 62.14 2vtx n PRO 87 Cb 0.53 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2vtx n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vtx s MET 88 N -1.63 0.75 0.08 0.54 0.23 -1.26 -1.72 119.30 116.29 2vtx s MET 88 Ca 0.24 -0.33 -0.11 0.00 -1.03 0.00 0.00 55.69 54.46 2vtx s MET 88 Cb 0.15 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.76 2vtx s MET 88 CO 0.13 -0.33 0.24 0.00 -2.03 0.00 0.00 175.02 173.03 2vtx s ALA 89 N -2.94 -0.43 -0.19 3.16 0.00 -0.05 -5.01 121.76 116.31 2vtx s ALA 89 Ca 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2vtx s ALA 89 Cb -0.00 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2vtx s ALA 89 CO -0.05 -0.50 -0.02 0.99 0.00 0.00 0.00 175.76 176.17 2vtx s THR 90 N -3.51 3.80 -0.19 0.00 2.01 -1.26 -1.57 115.64 114.92 2vtx s THR 90 Ca 0.02 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 2vtx s THR 90 Cb 0.03 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2vtx s THR 90 CO -0.09 0.45 0.13 -0.04 -0.69 0.00 0.00 174.62 174.38 2vtx s MET 91 N 0.85 4.09 -0.08 4.92 -1.94 -0.59 -4.99 119.30 121.56 2vtx s MET 91 Ca -0.00 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 2vtx s MET 91 Cb -0.14 -3.39 0.02 0.00 2.01 0.00 0.00 34.83 33.33 2vtx s MET 91 CO 0.02 0.36 -0.06 0.08 -0.01 0.00 0.00 175.02 175.40 2vtx s VAL 92 N 0.18 0.82 0.00 -6.03 1.01 -1.26 -4.48 120.40 110.64 2vtx s VAL 92 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2vtx s VAL 92 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2vtx s VAL 92 CO -0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2vtx n GLY 93 N 4.51 1.61 3.53 4.51 0.00 -1.26 -4.99 105.19 113.10 2vtx n GLY 93 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2vtx n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vtx s ILE 94 N -3.14 4.06 -0.20 -0.61 1.01 -1.26 -4.96 121.20 116.10 2vtx s ILE 94 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 2vtx s ILE 94 Cb 0.00 -4.74 -0.01 0.00 0.01 0.00 0.00 42.46 37.71 2vtx s ILE 94 CO 0.00 -1.49 -0.06 -1.61 0.00 0.00 0.00 174.94 171.78 2vtx s GLU 95 N 4.83 3.42 0.01 2.79 2.02 -1.26 -1.45 118.70 129.07 2vtx s GLU 95 Ca 0.33 -0.62 0.08 0.00 0.02 0.00 0.00 54.97 54.78 2vtx s GLU 95 Cb -0.11 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2vtx s GLU 95 CO 0.18 -0.07 -0.23 -0.51 0.02 0.00 0.00 175.26 174.64 2vtx s LEU 96 N 1.14 2.10 -0.19 1.80 1.43 0.28 -4.92 118.68 120.32 2vtx s LEU 96 Ca 0.02 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 2vtx s LEU 96 Cb -0.14 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2vtx s LEU 96 CO -0.01 0.25 1.01 -1.81 0.23 0.00 0.00 176.35 176.02 2vtx s ASP 97 N -0.86 7.12 0.85 2.29 1.01 -1.26 -0.56 116.67 125.26 2vtx s ASP 97 Ca 0.09 1.40 -0.11 0.00 0.71 0.00 0.00 52.55 54.64 2vtx s ASP 97 Cb -0.09 -2.54 0.10 0.00 1.01 0.00 0.00 42.92 41.40 2vtx s ASP 97 CO 0.00 -0.58 1.09 -2.84 0.21 0.00 0.00 175.17 173.05 2vtx s PRO 98 N 2.78 1.65 0.47 8.23 0.02 -1.26 -4.45 135.00 142.43 2vtx s PRO 98 Ca 0.45 0.90 -0.13 0.00 0.02 0.00 0.00 61.00 62.23 2vtx s PRO 98 Cb -0.16 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 2vtx s PRO 98 CO 0.10 -1.99 0.88 -2.14 -0.33 0.00 0.00 177.00 173.52 2vtx s PRO 99 N -4.95 3.83 0.06 5.54 0.02 -1.26 -5.05 135.00 133.19 2vtx s PRO 99 Ca 0.62 0.69 0.06 0.00 0.02 0.00 0.00 61.00 62.40 2vtx s PRO 99 Cb -0.17 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.06 2vtx s PRO 99 CO 0.56 -0.18 -0.17 0.14 -0.33 0.00 0.00 177.00 177.01 2vtx s VAL 100 N -2.56 1.40 -0.11 3.83 -7.23 0.80 -4.94 120.40 111.59 2vtx s VAL 100 Ca 0.55 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 2vtx s VAL 100 Cb -0.10 -1.27 0.01 0.00 0.56 0.00 0.00 36.38 35.57 2vtx s VAL 100 CO 0.33 -0.02 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.01 2vtx s THR 101 N -1.01 1.90 -0.08 5.32 2.01 -1.25 0.70 115.64 123.23 2vtx s THR 101 Ca 0.03 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 2vtx s THR 101 Cb -0.09 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 2vtx s THR 101 CO 0.02 0.52 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.11 2vtx s PHE 102 N 0.54 3.14 -0.01 4.92 0.40 0.13 -2.36 117.98 124.74 2vtx s PHE 102 Ca -0.15 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2vtx s PHE 102 Cb -0.17 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.59 2vtx s PHE 102 CO 0.05 0.46 -0.02 0.50 0.70 0.00 0.00 175.22 176.91 2vtx s ARG 103 N -0.93 0.27 -1.08 0.44 3.52 0.11 -0.48 118.95 120.80 2vtx s ARG 103 Ca 0.14 -0.06 -0.22 0.00 -0.13 0.00 0.00 55.73 55.45 2vtx s ARG 103 Cb -0.11 -0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.00 2vtx s ARG 103 CO 0.03 0.01 1.65 -1.17 -0.81 0.00 0.00 175.30 175.02 2vtx s LEU 104 N 0.21 3.48 0.29 -0.88 2.96 0.98 -0.20 118.68 125.52 2vtx s LEU 104 Ca -0.02 -1.58 0.04 0.00 -0.22 0.00 0.00 54.13 52.35 2vtx s LEU 104 Cb -0.04 -2.57 0.69 0.00 0.50 0.00 0.00 46.19 44.76 2vtx s LEU 104 CO -0.01 -1.79 1.75 0.50 -1.32 0.00 0.00 176.35 175.48 2vtx h LYS 105 N 9.51 0.60 -3.39 1.98 3.64 -1.76 -3.43 116.57 123.72 2vtx h LYS 105 Ca 0.24 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2vtx h LYS 105 Cb 0.97 -0.13 -0.20 0.00 -0.41 0.00 0.00 32.23 32.46 2vtx h LYS 105 CO 1.38 0.40 -0.41 0.00 -2.27 0.00 0.00 179.45 178.54 2vtx s ALA 106 N -5.89 -0.46 0.00 5.00 0.00 -1.19 -4.92 121.76 114.30 2vtx s ALA 106 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2vtx s ALA 106 Cb 0.24 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2vtx s ALA 106 CO 0.79 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2vtx n GLY 107 N 1.24 1.08 0.00 0.00 0.00 -1.21 -1.23 105.19 105.07 2vtx n GLY 107 Ca -0.22 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2vtx n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vtx n SER 108 N 0.00 4.20 -0.27 1.61 3.41 -1.26 -4.59 113.62 116.72 2vtx n SER 108 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2vtx n SER 108 Cb 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 2vtx n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vtx n GLY 109 N 2.27 -1.13 3.69 5.00 0.00 -1.26 -1.61 105.19 112.15 2vtx n GLY 109 Ca -0.00 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2vtx n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vtx n PRO 110 N -0.54 1.68 -4.40 1.61 -0.02 -1.26 -4.19 135.00 127.88 2vtx n PRO 110 Ca 0.00 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 2vtx n PRO 110 Cb 0.00 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 30.93 2vtx n PRO 110 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2vtx s LEU 111 N -2.16 1.51 -0.08 2.45 0.20 0.56 -2.12 118.68 119.05 2vtx s LEU 111 Ca 0.66 -0.27 -0.09 0.00 0.69 0.00 0.00 54.13 55.12 2vtx s LEU 111 Cb -0.47 -0.76 -0.05 0.00 -0.43 0.00 0.00 46.19 44.49 2vtx s LEU 111 CO 0.54 -0.01 0.22 -0.31 -0.29 0.00 0.00 176.35 176.50 2vtx s TYR 112 N 0.88 3.64 0.03 5.38 1.51 -0.12 -0.73 117.35 127.94 2vtx s TYR 112 Ca -0.11 0.67 0.06 0.00 -1.01 0.00 0.00 57.07 56.69 2vtx s TYR 112 Cb -0.15 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2vtx s TYR 112 CO 0.01 0.71 -0.16 0.42 -1.11 0.00 0.00 175.55 175.42 2vtx s ILE 113 N -1.04 2.92 0.20 2.71 1.01 -0.25 -1.69 121.20 125.06 2vtx s ILE 113 Ca 0.18 -1.09 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2vtx s ILE 113 Cb -0.13 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2vtx s ILE 113 CO 0.07 0.37 -0.14 -0.94 0.00 0.00 0.00 174.94 174.30 2vtx s SER 114 N -1.36 2.50 0.16 3.58 1.04 0.10 -2.15 113.70 117.57 2vtx s SER 114 Ca 0.15 -1.00 -0.23 0.00 0.48 0.00 0.00 55.95 55.34 2vtx s SER 114 Cb -0.11 -0.13 0.08 0.00 0.10 0.00 0.00 66.02 65.97 2vtx s SER 114 CO 0.05 -0.17 1.07 -0.83 0.98 0.00 0.00 173.24 174.34 2vtx s GLY 115 N -3.24 0.09 -0.03 7.32 0.00 -0.10 -0.33 107.32 111.02 2vtx s GLY 115 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 2vtx s GLY 115 CO 0.06 2.91 0.13 1.20 0.00 0.00 0.00 173.10 177.40 2vtx s GLN 116 N -2.13 0.24 0.24 2.90 -0.21 -0.50 -0.60 119.66 119.60 2vtx s GLN 116 Ca 0.23 0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.32 2vtx s GLN 116 Cb -0.02 0.11 -0.09 0.00 1.00 0.00 0.00 33.01 34.00 2vtx s GLN 116 CO 0.05 -0.04 1.21 -1.01 -2.12 0.00 0.00 175.29 173.38 2vtx s HIS 117 N -0.35 3.37 0.09 0.91 3.76 -1.24 -1.10 115.29 120.73 2vtx s HIS 117 Ca -0.04 1.45 -0.09 0.00 -0.15 0.00 0.00 55.06 56.22 2vtx s HIS 117 Cb -0.03 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.19 2vtx s HIS 117 CO 0.00 -1.28 0.21 0.54 -0.85 0.00 0.00 174.74 173.36 2vtx s VAL 118 N -0.48 0.14 -2.00 -0.90 0.11 -0.61 -4.95 120.40 111.70 2vtx s VAL 118 Ca 0.51 -1.12 0.27 0.00 -2.93 0.00 0.00 61.98 58.71 2vtx s VAL 118 Cb -0.34 -1.32 0.77 0.00 -1.53 0.00 0.00 36.38 33.96 2vtx s VAL 118 CO 0.41 -0.62 1.97 0.00 -3.33 0.00 0.00 175.10 173.53