#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx s LEU 17 N 0.00 4.55 -0.21 -2.12 0.20 -1.26 -4.78 118.68 115.06 2vtx s LEU 17 Ca 0.00 2.22 -0.28 0.00 0.69 0.00 0.00 54.13 56.76 2vtx s LEU 17 Cb 0.00 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2vtx s LEU 17 CO 0.00 -0.14 1.00 -0.51 -0.29 0.00 0.00 176.35 176.41 2vtx s ILE 18 N -1.01 4.73 0.22 6.68 1.10 -1.26 -2.41 121.20 129.25 2vtx s ILE 18 Ca 0.45 1.96 0.11 0.00 -0.51 0.00 0.00 60.65 62.66 2vtx s ILE 18 Cb -0.31 -4.28 -0.05 0.00 0.15 0.00 0.00 42.46 37.97 2vtx s ILE 18 CO 0.40 -0.13 -0.17 0.86 -2.11 0.00 0.00 174.94 173.79 2vtx s TRP 19 N 2.90 2.41 -0.14 3.50 -0.00 0.67 -4.99 118.94 123.29 2vtx s TRP 19 Ca 0.43 -0.31 -0.30 0.00 -0.00 0.00 0.00 56.10 55.93 2vtx s TRP 19 Cb -0.16 -1.13 0.11 0.00 -0.00 0.00 0.00 33.47 32.28 2vtx s TRP 19 CO 0.09 0.58 0.88 0.20 -0.00 0.00 0.00 176.95 178.70 2vtx s GLY 20 N -3.05 -0.37 0.29 5.86 0.00 -1.26 -1.21 107.32 107.57 2vtx s GLY 20 Ca 0.25 1.84 0.02 0.00 0.00 0.00 0.00 44.72 46.83 2vtx s GLY 20 CO 0.13 1.09 0.11 0.00 0.00 0.00 0.00 173.10 174.44 2vtx s GLU 22 N -3.94 2.27 -0.06 0.00 2.12 -1.26 -1.69 118.70 116.15 2vtx s GLU 22 Ca 0.36 -0.58 -0.06 0.00 0.36 0.00 0.00 54.97 55.05 2vtx s GLU 22 Cb 0.07 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.51 2vtx s GLU 22 CO 0.15 -0.04 0.19 -0.51 -0.54 0.00 0.00 175.26 174.51 2vtx s LEU 23 N 0.91 4.39 0.00 2.70 1.43 -0.48 -4.94 118.68 122.69 2vtx s LEU 23 Ca -0.08 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2vtx s LEU 23 Cb -0.15 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2vtx s LEU 23 CO -0.01 0.33 0.12 -0.46 0.23 0.00 0.00 176.35 176.57 2vtx n ASN 24 N 1.50 -0.35 -0.11 2.29 0.23 -1.09 -0.01 115.26 117.73 2vtx n ASN 24 Ca -0.15 -1.36 -0.08 0.00 -0.53 0.00 0.00 54.58 52.45 2vtx n ASN 24 Cb 0.54 0.62 -0.00 0.00 -2.08 0.00 0.00 39.78 38.85 2vtx n ASN 24 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2vtx h GLU 25 N 0.00 0.44 0.00 -3.83 4.57 -1.23 -2.80 114.58 111.73 2vtx h GLU 25 Ca -0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2vtx h GLU 25 Cb 0.25 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2vtx h GLU 25 CO 0.08 0.29 0.00 1.96 -1.18 0.00 0.00 179.01 180.16 2vtx h GLN 26 N 0.45 0.00 -1.52 1.92 7.50 -1.98 -3.37 115.11 118.11 2vtx h GLN 26 Ca 0.13 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.83 2vtx h GLN 26 Cb -0.03 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 27.16 2vtx h GLN 26 CO -0.04 0.00 -0.99 0.09 -1.50 0.00 0.00 178.83 176.38 2vtx n ASN 27 N -2.34 -0.21 0.24 1.46 3.02 -1.08 -4.97 115.26 111.39 2vtx n ASN 27 Ca 0.03 -3.03 0.16 0.00 -0.03 0.00 0.00 54.58 51.71 2vtx n ASN 27 Cb 0.30 -0.02 0.60 0.00 -0.61 0.00 0.00 39.78 40.05 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 3.44 0.00 -6.33 3.52 1.57 -1.69 -2.89 116.57 114.20 2vtx h LYS 28 Ca 0.04 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.18 2vtx h LYS 28 Cb 0.96 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.00 2vtx h LYS 28 CO 0.42 0.00 -0.86 0.99 -0.57 0.00 0.00 179.45 179.43 2vtx s THR 29 N -3.55 1.84 -0.04 -0.16 2.01 -1.26 -0.80 115.64 113.67 2vtx s THR 29 Ca 0.02 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 60.84 2vtx s THR 29 Cb 0.09 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 71.06 2vtx s THR 29 CO 0.53 0.36 0.09 0.12 -0.69 0.00 0.00 174.62 175.03 2vtx s PHE 30 N -0.70 -0.07 -0.20 4.92 5.36 -0.34 -4.98 117.98 121.97 2vtx s PHE 30 Ca 0.09 0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 56.31 2vtx s PHE 30 Cb -0.09 -0.18 -0.04 0.00 -0.34 0.00 0.00 43.02 42.37 2vtx s PHE 30 CO 0.01 -0.14 0.06 -2.00 -1.46 0.00 0.00 175.22 171.68 2vtx s GLU 31 N 1.25 3.87 -0.17 10.12 2.12 -1.26 -1.36 118.70 133.26 2vtx s GLU 31 Ca -0.08 -0.39 -0.17 0.00 0.36 0.00 0.00 54.97 54.69 2vtx s GLU 31 Cb -0.12 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2vtx s GLU 31 CO -0.04 0.16 0.45 0.12 -0.54 0.00 0.00 175.26 175.41 2vtx s PHE 32 N 0.68 3.43 -0.09 5.30 5.36 0.04 -4.98 117.98 127.71 2vtx s PHE 32 Ca 0.03 0.76 -0.04 0.00 -0.96 0.00 0.00 56.93 56.72 2vtx s PHE 32 Cb -0.13 -2.56 0.05 0.00 -0.34 0.00 0.00 43.02 40.03 2vtx s PHE 32 CO 0.02 0.05 0.19 0.21 -1.46 0.00 0.00 175.22 174.23 2vtx s LYS 33 N 1.08 0.09 0.52 10.12 2.20 -1.26 -1.41 119.74 131.08 2vtx s LYS 33 Ca 0.23 0.55 -0.18 0.00 -0.36 0.00 0.00 55.97 56.21 2vtx s LYS 33 Cb -0.15 -0.18 -0.07 0.00 -1.51 0.00 0.00 37.83 35.92 2vtx s LYS 33 CO 0.09 -0.25 1.03 0.14 -0.36 0.00 0.00 175.35 175.99 2vtx s VAL 34 N 1.91 3.99 0.07 4.02 -7.23 -1.26 -5.07 120.40 116.83 2vtx s VAL 34 Ca -0.02 1.10 0.30 0.00 -1.81 0.00 0.00 61.98 61.54 2vtx s VAL 34 Cb -0.12 -3.49 0.30 0.00 0.56 0.00 0.00 36.38 33.63 2vtx s VAL 34 CO -0.07 -0.41 1.90 1.05 -0.31 0.00 0.00 175.10 177.27 2vtx h GLU 35 N 1.15 0.00 0.00 4.82 9.09 -2.05 -3.52 114.58 124.07 2vtx h GLU 35 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 2vtx h GLU 35 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2vtx h GLU 35 CO 0.59 0.00 0.00 -1.91 0.05 0.00 0.00 179.01 177.74 2vtx n GLU 42 N -2.54 0.00 -1.53 1.06 2.13 -1.26 -5.30 120.64 113.20 2vtx n GLU 42 Ca -0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.51 2vtx n GLU 42 Cb 0.06 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.89 2vtx n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2vtx s HIS 43 N -2.00 2.65 0.33 4.31 3.76 -1.26 -5.04 115.29 118.04 2vtx s HIS 43 Ca 0.00 1.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.99 2vtx s HIS 43 Cb 0.00 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 2vtx s HIS 43 CO 0.00 -2.09 0.23 -0.65 -0.85 0.00 0.00 174.74 171.38 2vtx s GLN 44 N -5.21 2.62 -0.37 1.40 -0.21 -0.41 -4.59 119.66 112.89 2vtx s GLN 44 Ca 0.62 -1.36 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 2vtx s GLN 44 Cb -0.15 -2.39 0.03 0.00 1.00 0.00 0.00 33.01 31.50 2vtx s GLN 44 CO 0.54 0.13 0.20 -1.17 -2.12 0.00 0.00 175.29 172.87 2vtx s LEU 45 N -3.93 4.69 -0.25 2.90 2.96 0.86 -1.03 118.68 124.87 2vtx s LEU 45 Ca 0.39 -0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 53.10 2vtx s LEU 45 Cb -0.05 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2vtx s LEU 45 CO 0.25 -0.38 0.66 0.00 -1.32 0.00 0.00 176.35 175.56 2vtx s ALA 46 N 1.55 3.62 0.41 5.97 0.00 -0.16 -0.50 121.76 132.65 2vtx s ALA 46 Ca 0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 2vtx s ALA 46 Cb -0.19 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2vtx s ALA 46 CO 0.06 -0.82 1.03 -0.51 0.00 0.00 0.00 175.76 175.52 2vtx s LEU 47 N 2.55 4.08 -0.00 0.00 1.43 0.36 -0.88 118.68 126.22 2vtx s LEU 47 Ca 0.28 1.97 -0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2vtx s LEU 47 Cb -0.15 -4.27 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 2vtx s LEU 47 CO 0.08 -0.50 -0.00 0.54 0.23 0.00 0.00 176.35 176.70 2vtx n ARG 48 N -0.24 0.00 -3.73 1.70 5.12 -0.22 -4.66 116.66 114.64 2vtx n ARG 48 Ca 0.06 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 2vtx n ARG 48 Cb 0.51 -0.53 -0.05 0.00 -1.16 0.00 0.00 32.46 31.23 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 -2.00 0.08 -0.03 0.55 -4.23 -1.22 -1.57 115.64 107.22 2vtx s THR 49 Ca -0.00 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 2vtx s THR 49 Cb 0.00 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 2vtx s THR 49 CO 0.00 -0.36 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.87 2vtx s VAL 50 N -3.84 1.33 -0.02 2.29 1.01 -0.64 -0.27 120.40 120.25 2vtx s VAL 50 Ca 0.05 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 2vtx s VAL 50 Cb 0.02 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.31 2vtx s VAL 50 CO -0.10 0.38 0.43 0.00 0.00 0.00 0.00 175.10 175.82 2vtx s LEU 52 N -1.32 4.07 0.38 0.00 1.43 -0.34 -0.18 118.68 122.73 2vtx s LEU 52 Ca -0.12 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2vtx s LEU 52 Cb -0.03 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.44 2vtx s LEU 52 CO 0.06 0.12 0.71 -0.83 0.23 0.00 0.00 176.35 176.64 2vtx s GLY 53 N -2.79 1.87 0.00 -3.19 0.00 -0.74 -4.92 107.32 97.55 2vtx s GLY 53 Ca 0.32 -0.33 0.12 0.00 0.00 0.00 0.00 44.72 44.83 2vtx s GLY 53 CO 0.25 -0.17 1.29 2.09 0.00 0.00 0.00 173.10 176.57 2vtx n ASP 54 N -1.31 0.00 -0.09 1.64 5.75 -1.26 -1.52 116.55 119.77 2vtx n ASP 54 Ca 0.01 0.19 0.01 0.00 -0.01 0.00 0.00 54.79 54.99 2vtx n ASP 54 Cb 0.54 -0.33 0.02 0.00 -1.03 0.00 0.00 41.12 40.33 2vtx n ASP 54 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2vtx n LYS 55 N -1.33 2.92 -1.64 0.11 5.02 -1.26 -5.02 118.16 116.95 2vtx n LYS 55 Ca 0.05 -1.56 -0.40 0.00 -2.02 0.00 0.00 58.31 54.38 2vtx n LYS 55 Cb 0.10 -1.04 0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vtx n ALA 56 N -0.35 0.55 -1.62 7.82 0.00 -0.57 -4.88 120.51 121.47 2vtx n ALA 56 Ca 0.02 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 2vtx n ALA 56 Cb 0.27 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.60 2vtx n ALA 56 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2vtx s LYS 57 N -2.44 3.12 -1.26 0.00 1.02 -1.26 -4.88 119.74 114.05 2vtx s LYS 57 Ca 0.68 1.03 -0.13 0.00 0.02 0.00 0.00 55.97 57.58 2vtx s LYS 57 Cb -0.48 -2.01 0.15 0.00 -0.52 0.00 0.00 37.83 34.97 2vtx s LYS 57 CO 0.52 -0.95 1.68 -3.47 -0.92 0.00 0.00 175.35 172.21 2vtx n ASP 58 N -2.70 5.06 -4.18 2.83 4.64 -1.26 -4.61 116.55 116.34 2vtx n ASP 58 Ca 0.08 -3.01 -0.11 0.00 -1.38 0.00 0.00 54.79 50.37 2vtx n ASP 58 Cb 0.53 -1.56 -0.10 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 1.49 1.04 0.28 -0.67 -1.05 -1.26 -4.94 118.70 113.60 2vtx s GLU 59 Ca 0.43 -1.51 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 2vtx s GLU 59 Cb 0.03 0.20 -0.10 0.00 -0.44 0.00 0.00 34.13 33.83 2vtx s GLU 59 CO 0.01 -0.29 1.25 -0.06 0.95 0.00 0.00 175.26 177.12 2vtx s PHE 60 N -4.05 3.24 -0.14 4.83 0.40 -1.26 -4.43 117.98 116.57 2vtx s PHE 60 Ca 0.29 1.44 0.02 0.00 -0.60 0.00 0.00 56.93 58.08 2vtx s PHE 60 Cb 0.07 -3.56 0.01 0.00 0.51 0.00 0.00 43.02 40.05 2vtx s PHE 60 CO 0.05 -1.53 -0.21 -1.01 0.70 0.00 0.00 175.22 173.22 2vtx s HIS 61 N -0.81 2.60 -0.17 0.36 3.76 0.33 -3.12 115.29 118.24 2vtx s HIS 61 Ca 0.50 -1.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2vtx s HIS 61 Cb -0.37 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.55 2vtx s HIS 61 CO 0.46 -0.61 -0.16 0.42 -0.85 0.00 0.00 174.74 173.99 2vtx s ILE 62 N 0.86 2.45 -0.19 0.60 1.01 -1.05 -0.93 121.20 123.95 2vtx s ILE 62 Ca -0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 2vtx s ILE 62 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 2vtx s ILE 62 CO -0.03 0.52 0.11 0.54 0.00 0.00 0.00 174.94 176.08 2vtx s VAL 63 N 1.10 5.19 0.06 2.92 0.11 -0.62 -0.77 120.40 128.38 2vtx s VAL 63 Ca 0.00 0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2vtx s VAL 63 Cb -0.14 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2vtx s VAL 63 CO -0.06 0.46 -0.21 -1.83 -3.33 0.00 0.00 175.10 170.13 2vtx s GLU 64 N 0.30 1.32 -0.01 1.54 -1.05 0.21 -1.54 118.70 119.46 2vtx s GLU 64 Ca 0.07 -0.98 -0.30 0.00 -0.15 0.00 0.00 54.97 53.60 2vtx s GLU 64 Cb -0.11 -1.46 -0.03 0.00 -0.44 0.00 0.00 34.13 32.08 2vtx s GLU 64 CO -0.01 0.37 1.01 0.42 0.95 0.00 0.00 175.26 177.99 2vtx s ILE 65 N -0.88 4.78 -0.52 1.83 1.01 0.35 -0.03 121.20 127.75 2vtx s ILE 65 Ca 0.07 2.00 0.03 0.00 0.00 0.00 0.00 60.65 62.75 2vtx s ILE 65 Cb -0.09 -4.28 0.13 0.00 0.01 0.00 0.00 42.46 38.23 2vtx s ILE 65 CO 0.02 0.13 0.27 -0.69 0.00 0.00 0.00 174.94 174.67 2vtx s VAL 66 N 1.16 2.75 0.16 2.92 1.01 0.19 -1.55 120.40 127.05 2vtx s VAL 66 Ca 0.52 -3.15 -0.31 0.00 0.00 0.00 0.00 61.98 59.04 2vtx s VAL 66 Cb -0.21 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 2vtx s VAL 66 CO 0.27 -0.79 1.42 -1.81 0.00 0.00 0.00 175.10 174.19 2vtx s ASP 67 N 0.01 6.76 0.00 3.32 1.01 -1.14 -4.21 116.67 122.42 2vtx s ASP 67 Ca 0.16 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.88 2vtx s ASP 67 Cb -0.24 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.09 2vtx s ASP 67 CO -0.01 -0.68 0.00 0.00 0.21 0.00 0.00 175.17 174.69 2vtx n GLN 68 N 3.48 0.00 0.00 8.23 0.00 -1.26 -2.82 117.38 125.01 2vtx n GLN 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 2vtx n GLN 68 Cb 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 30.24 30.20 2vtx n GLN 68 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2vtx n GLU 73 N 0.00 0.00 -3.63 2.61 -0.00 -1.26 -5.22 120.64 113.14 2vtx n GLU 73 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.76 2vtx n GLU 73 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.33 2vtx n GLU 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2vtx s LYS 74 N 0.00 2.69 -0.12 3.44 2.47 -1.13 -5.09 119.74 122.01 2vtx s LYS 74 Ca 0.00 -1.26 -0.05 0.00 -1.56 0.00 0.00 55.97 53.10 2vtx s LYS 74 Cb 0.00 -3.70 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 2vtx s LYS 74 CO 0.00 -0.80 0.07 -1.12 0.16 0.00 0.00 175.35 173.66 2vtx s SER 75 N 1.76 5.81 -0.22 1.43 0.01 -1.26 -2.87 113.70 118.35 2vtx s SER 75 Ca 0.02 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.57 2vtx s SER 75 Cb -0.21 -1.81 0.05 0.00 0.21 0.00 0.00 66.02 64.27 2vtx s SER 75 CO 0.04 0.36 -0.07 -0.69 0.41 0.00 0.00 173.24 173.29 2vtx s VAL 76 N -0.76 1.58 0.20 3.43 1.01 -0.59 -4.99 120.40 120.27 2vtx s VAL 76 Ca 0.13 -1.14 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 2vtx s VAL 76 Cb -0.12 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.39 2vtx s VAL 76 CO 0.03 0.01 1.60 -2.84 0.00 0.00 0.00 175.10 173.89 2vtx s PRO 77 N 1.39 4.18 -0.00 2.72 0.02 -1.26 -0.49 135.00 141.56 2vtx s PRO 77 Ca -0.04 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.46 2vtx s PRO 77 Cb -0.18 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 2vtx s PRO 77 CO -0.07 -0.63 0.07 0.44 -0.33 0.00 0.00 177.00 176.48 2vtx n ILE 78 N 3.59 0.00 -3.66 2.83 -5.35 -0.59 -4.93 119.36 111.26 2vtx n ILE 78 Ca 0.13 -0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.42 2vtx n ILE 78 Cb 0.38 0.43 -0.08 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.23 -1.61 -0.11 -1.28 0.00 -1.17 -5.02 121.76 110.35 2vtx s ALA 79 Ca -0.01 1.95 0.02 0.00 0.00 0.00 0.00 51.96 53.92 2vtx s ALA 79 Cb 0.02 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2vtx s ALA 79 CO 0.14 -0.32 -0.17 0.99 0.00 0.00 0.00 175.76 176.40 2vtx s THR 80 N 0.83 1.62 0.22 0.00 2.01 -1.26 -1.59 115.64 117.48 2vtx s THR 80 Ca -0.04 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2vtx s THR 80 Cb -0.05 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 2vtx s THR 80 CO -0.07 0.47 0.00 -0.76 -0.69 0.00 0.00 174.62 173.57 2vtx s LEU 81 N 0.93 2.14 -0.24 4.42 1.43 -0.10 -4.92 118.68 122.33 2vtx s LEU 81 Ca -0.07 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.63 2vtx s LEU 81 Cb -0.15 -0.22 0.07 0.00 0.03 0.00 0.00 46.19 45.92 2vtx s LEU 81 CO -0.01 -0.54 0.62 -0.75 0.23 0.00 0.00 176.35 175.90 2vtx s LYS 82 N -3.88 0.67 0.36 1.70 2.20 -0.76 -0.51 119.74 119.52 2vtx s LYS 82 Ca 0.28 0.99 0.15 0.00 -0.36 0.00 0.00 55.97 57.03 2vtx s LYS 82 Cb 0.06 0.22 1.03 0.00 -1.51 0.00 0.00 37.83 37.63 2vtx s LYS 82 CO 0.08 -0.12 1.74 -1.35 -0.36 0.00 0.00 175.35 175.34 2vtx h PRO 83 N 6.11 0.44 -0.02 4.03 0.11 -1.80 0.18 132.00 141.05 2vtx h PRO 83 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vtx h PRO 83 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2vtx h PRO 83 CO 0.16 0.29 -0.14 -1.13 -0.21 0.00 0.00 178.00 176.97 2vtx n SER 84 N -4.76 1.79 0.00 -2.05 3.41 -1.26 -4.35 113.62 106.40 2vtx n SER 84 Ca 0.27 -1.46 -0.02 0.00 -0.26 0.00 0.00 58.87 57.41 2vtx n SER 84 Cb 0.85 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.19 0.39 -3.27 -1.33 2.08 -0.22 -5.01 119.36 112.20 2vtx n ILE 85 Ca 0.15 0.08 -0.06 0.00 0.56 0.00 0.00 62.75 63.48 2vtx n ILE 85 Cb 0.42 -1.55 -0.04 0.00 -0.75 0.00 0.00 39.64 37.72 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 -6.34 -0.95 0.00 1.39 2.96 0.46 -4.96 118.68 111.23 2vtx s LEU 86 Ca -0.02 -0.85 0.18 0.00 -0.22 0.00 0.00 54.13 53.22 2vtx s LEU 86 Cb 0.01 1.38 0.80 0.00 0.50 0.00 0.00 46.19 48.87 2vtx s LEU 86 CO 0.03 -0.25 1.55 -0.81 -1.32 0.00 0.00 176.35 175.55 2vtx n PRO 87 N 4.65 1.44 -3.50 0.98 -0.04 -1.24 -1.84 135.00 135.45 2vtx n PRO 87 Ca 0.08 -0.66 -0.09 0.00 -0.04 0.00 0.00 63.50 62.79 2vtx n PRO 87 Cb 0.52 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.85 0.84 0.01 0.54 0.23 -1.26 -1.20 119.30 116.61 2vtx s MET 88 Ca 0.28 -0.29 -0.04 0.00 -1.03 0.00 0.00 55.69 54.61 2vtx s MET 88 Cb 0.14 0.39 -0.01 0.00 -1.53 0.00 0.00 34.83 33.82 2vtx s MET 88 CO 0.22 -0.36 0.05 0.00 -2.03 0.00 0.00 175.02 172.90 2vtx s ALA 89 N -3.07 -0.11 -0.16 3.16 0.00 -0.76 -5.00 121.76 115.83 2vtx s ALA 89 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 2vtx s ALA 89 Cb -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2vtx s ALA 89 CO -0.09 -0.19 0.48 0.99 0.00 0.00 0.00 175.76 176.96 2vtx s THR 90 N -1.43 5.16 -0.09 0.00 2.01 -1.26 -1.62 115.64 118.40 2vtx s THR 90 Ca -0.15 0.92 -0.13 0.00 0.31 0.00 0.00 61.69 62.64 2vtx s THR 90 Cb -0.09 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2vtx s THR 90 CO 0.00 0.25 0.32 -0.04 -0.69 0.00 0.00 174.62 174.47 2vtx s MET 91 N 1.13 3.98 -0.05 4.92 -1.94 -0.61 -4.98 119.30 121.75 2vtx s MET 91 Ca 0.24 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.44 2vtx s MET 91 Cb -0.15 -3.30 0.01 0.00 2.01 0.00 0.00 34.83 33.40 2vtx s MET 91 CO 0.10 0.51 -0.10 0.08 -0.01 0.00 0.00 175.02 175.59 2vtx s VAL 92 N -0.39 0.96 0.00 -6.03 1.01 -1.26 -4.50 120.40 110.19 2vtx s VAL 92 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2vtx s VAL 92 Cb -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2vtx s VAL 92 CO 0.08 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2vtx n GLY 93 N 3.77 0.49 3.48 4.51 0.00 -1.26 -4.96 105.19 111.22 2vtx n GLY 93 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.18 4.49 -0.26 -0.61 1.01 -1.26 -4.99 121.20 117.39 2vtx s ILE 94 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2vtx s ILE 94 Cb 0.00 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 38.00 2vtx s ILE 94 CO 0.00 -1.14 -0.09 -1.61 0.00 0.00 0.00 174.94 172.10 2vtx s GLU 95 N 3.66 2.36 -0.10 2.79 2.02 -1.26 -0.49 118.70 127.69 2vtx s GLU 95 Ca 0.24 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 2vtx s GLU 95 Cb -0.15 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 2vtx s GLU 95 CO 0.15 -0.54 -0.04 -0.51 0.02 0.00 0.00 175.26 174.34 2vtx s LEU 96 N 1.16 3.34 -0.23 1.80 1.43 0.35 -4.89 118.68 121.63 2vtx s LEU 96 Ca -0.07 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 2vtx s LEU 96 Cb -0.19 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2vtx s LEU 96 CO -0.05 0.31 0.37 -1.81 0.23 0.00 0.00 176.35 175.40 2vtx s ASP 97 N -0.49 6.35 0.77 2.29 1.11 -1.26 -0.10 116.67 125.34 2vtx s ASP 97 Ca 0.08 0.41 -0.11 0.00 0.18 0.00 0.00 52.55 53.11 2vtx s ASP 97 Cb -0.12 -2.21 0.05 0.00 1.07 0.00 0.00 42.92 41.71 2vtx s ASP 97 CO 0.02 -0.10 1.09 -2.16 1.18 0.00 0.00 175.17 175.20 2vtx s PRO 98 N 1.52 2.31 0.42 8.23 0.04 -1.26 -4.60 135.00 141.67 2vtx s PRO 98 Ca 0.17 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 2vtx s PRO 98 Cb -0.15 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2vtx s PRO 98 CO 0.08 -1.47 0.95 -1.25 0.04 0.00 0.00 177.00 175.35 2vtx s PRO 99 N -5.15 4.25 0.05 0.56 0.04 -1.26 -4.94 135.00 128.55 2vtx s PRO 99 Ca 0.60 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.83 2vtx s PRO 99 Cb -0.14 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2vtx s PRO 99 CO 0.54 -0.01 -0.17 0.14 0.04 0.00 0.00 177.00 177.54 2vtx s VAL 100 N -2.14 1.38 0.08 -0.36 -7.23 -0.50 -5.01 120.40 106.62 2vtx s VAL 100 Ca 0.61 -1.18 0.08 0.00 -1.81 0.00 0.00 61.98 59.68 2vtx s VAL 100 Cb -0.10 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2vtx s VAL 100 CO 0.14 0.03 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.86 2vtx s THR 101 N -0.93 1.72 -0.06 5.32 2.01 -1.26 -0.78 115.64 121.65 2vtx s THR 101 Ca 0.04 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.63 2vtx s THR 101 Cb -0.09 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.89 2vtx s THR 101 CO 0.02 0.04 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.47 2vtx s PHE 102 N -1.03 1.71 0.02 4.92 0.40 -0.47 -0.64 117.98 122.90 2vtx s PHE 102 Ca 0.07 -0.61 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 2vtx s PHE 102 Cb -0.10 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 2vtx s PHE 102 CO 0.03 -0.27 -0.16 0.50 0.70 0.00 0.00 175.22 176.02 2vtx s ARG 103 N 0.43 1.15 -0.89 0.44 3.52 0.96 -1.20 118.95 123.35 2vtx s ARG 103 Ca -0.12 -0.74 -0.17 0.00 -0.13 0.00 0.00 55.73 54.56 2vtx s ARG 103 Cb -0.15 -1.17 0.16 0.00 -1.56 0.00 0.00 34.95 32.23 2vtx s ARG 103 CO 0.04 0.30 1.01 -1.17 -0.81 0.00 0.00 175.30 174.67 2vtx s LEU 104 N -0.91 5.60 0.53 -0.88 2.96 0.02 0.64 118.68 126.64 2vtx s LEU 104 Ca 0.04 -2.24 0.20 0.00 -0.22 0.00 0.00 54.13 51.91 2vtx s LEU 104 Cb -0.07 -2.34 1.40 0.00 0.50 0.00 0.00 46.19 45.68 2vtx s LEU 104 CO 0.01 -0.91 2.17 0.50 -1.32 0.00 0.00 176.35 176.79 2vtx h LYS 105 N 8.50 0.00 -3.51 1.98 3.64 -1.27 -3.45 116.57 122.46 2vtx h LYS 105 Ca 0.13 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2vtx h LYS 105 Cb 1.03 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.72 2vtx h LYS 105 CO 0.99 0.02 -0.17 0.00 -2.27 0.00 0.00 179.45 178.02 2vtx s ALA 106 N -4.91 -0.70 0.00 5.00 0.00 -1.23 -4.93 121.76 114.99 2vtx s ALA 106 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2vtx s ALA 106 Cb 0.16 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2vtx s ALA 106 CO 0.64 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2vtx n GLY 107 N -0.12 -0.01 0.19 0.00 0.00 -1.18 -2.54 105.19 101.52 2vtx n GLY 107 Ca -0.16 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 2vtx n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vtx h SER 108 N 0.00 0.75 -3.30 1.61 4.64 -1.90 -3.43 113.55 111.92 2vtx h SER 108 Ca 0.00 -0.54 0.01 0.00 -0.47 0.00 0.00 61.79 60.79 2vtx h SER 108 Cb 0.00 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2vtx h SER 108 CO 0.00 1.33 -0.02 0.61 -0.87 0.00 0.00 176.83 177.88 2vtx n GLY 109 N 0.81 -1.85 3.70 -0.77 0.00 -1.26 -0.78 105.19 105.05 2vtx n GLY 109 Ca -0.07 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.66 2.51 -5.03 1.61 -0.02 -1.26 -4.38 135.00 127.77 2vtx n PRO 110 Ca 0.00 0.90 -0.29 0.00 -2.02 0.00 0.00 63.50 62.09 2vtx n PRO 110 Cb 0.02 -2.69 -0.17 0.00 -0.02 0.00 0.00 33.50 30.64 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 0.63 1.96 -0.10 2.45 0.20 0.99 -1.79 118.68 123.03 2vtx s LEU 111 Ca 0.73 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.06 2vtx s LEU 111 Cb -0.57 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2vtx s LEU 111 CO 0.39 0.15 0.04 -0.31 -0.29 0.00 0.00 176.35 176.33 2vtx s TYR 112 N 0.27 3.28 -0.03 5.38 1.51 0.74 -1.39 117.35 127.11 2vtx s TYR 112 Ca -0.13 0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.27 2vtx s TYR 112 Cb -0.16 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2vtx s TYR 112 CO 0.06 0.52 -0.23 0.42 -1.11 0.00 0.00 175.55 175.21 2vtx s ILE 113 N -0.86 2.26 0.32 2.71 1.01 -0.68 -0.50 121.20 125.47 2vtx s ILE 113 Ca 0.13 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.82 2vtx s ILE 113 Cb -0.12 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 2vtx s ILE 113 CO 0.03 0.58 -0.02 -0.94 0.00 0.00 0.00 174.94 174.59 2vtx s SER 114 N -0.56 2.96 0.00 3.58 1.04 0.63 -2.23 113.70 119.12 2vtx s SER 114 Ca 0.08 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2vtx s SER 114 Cb -0.11 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2vtx s SER 114 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2vtx n GLY 115 N -0.71 0.09 2.96 7.32 0.00 -0.35 -1.06 105.19 113.45 2vtx n GLY 115 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 2vtx n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vtx s GLN 116 N -2.00 0.36 -0.19 1.61 -0.21 -0.06 -0.24 119.66 118.93 2vtx s GLN 116 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.36 54.80 2vtx s GLN 116 Cb 0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 33.01 33.71 2vtx s GLN 116 CO 0.00 0.07 1.47 -1.01 -2.12 0.00 0.00 175.29 173.70 2vtx s HIS 117 N -0.42 2.38 0.38 0.91 3.76 -1.01 -0.99 115.29 120.30 2vtx s HIS 117 Ca -0.02 0.65 0.05 0.00 -0.15 0.00 0.00 55.06 55.59 2vtx s HIS 117 Cb -0.04 -3.83 -0.06 0.00 1.11 0.00 0.00 32.58 29.76 2vtx s HIS 117 CO -0.00 -2.57 0.04 0.54 -0.85 0.00 0.00 174.74 171.90 2vtx s VAL 118 N 4.39 1.46 0.00 -0.90 0.11 -0.20 -2.49 120.40 122.76 2vtx s VAL 118 Ca 0.65 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2vtx s VAL 118 Cb -0.24 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2vtx s VAL 118 CO 0.24 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.01