#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 4.50 0.48 -2.67 2.01 -1.26 -4.91 118.68 116.83 2vtx s LEU 17 Ca 0.00 2.24 -0.20 0.00 0.01 0.00 0.00 54.13 56.18 2vtx s LEU 17 Cb 0.00 -3.62 -0.09 0.00 0.01 0.00 0.00 46.19 42.49 2vtx s LEU 17 CO 0.00 -0.26 1.00 0.27 1.01 0.00 0.00 176.35 178.37 2vtx s ILE 18 N -0.56 4.06 -0.01 -0.59 -5.25 -1.26 -1.35 121.20 116.24 2vtx s ILE 18 Ca 0.49 1.24 -0.10 0.00 -0.99 0.00 0.00 60.65 61.28 2vtx s ILE 18 Cb -0.32 -3.52 0.01 0.00 2.95 0.00 0.00 42.46 41.58 2vtx s ILE 18 CO 0.39 -0.32 0.21 0.86 -1.79 0.00 0.00 174.94 174.28 2vtx s TRP 19 N -2.14 -0.06 0.02 1.37 -0.00 0.19 -4.84 118.94 113.49 2vtx s TRP 19 Ca 0.64 0.07 -0.23 0.00 -0.00 0.00 0.00 56.10 56.59 2vtx s TRP 19 Cb -0.13 0.02 0.05 0.00 -0.00 0.00 0.00 33.47 33.41 2vtx s TRP 19 CO 0.20 -0.32 0.51 0.20 -0.00 0.00 0.00 176.95 177.54 2vtx s GLY 20 N -1.27 -0.41 0.03 5.86 0.00 -1.26 0.11 107.32 110.38 2vtx s GLY 20 Ca -0.13 0.66 -0.03 0.00 0.00 0.00 0.00 44.72 45.22 2vtx s GLY 20 CO 0.03 0.36 0.02 0.00 0.00 0.00 0.00 173.10 173.51 2vtx s GLU 22 N -2.48 3.69 -0.09 0.00 2.12 -1.26 -1.77 118.70 118.91 2vtx s GLU 22 Ca -0.06 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.83 2vtx s GLU 22 Cb -0.02 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 2vtx s GLU 22 CO -0.04 0.32 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.39 2vtx s LEU 23 N 0.20 3.01 0.00 2.70 1.43 -0.42 -4.94 118.68 120.65 2vtx s LEU 23 Ca 0.01 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2vtx s LEU 23 Cb -0.13 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2vtx s LEU 23 CO 0.02 0.29 0.14 -0.46 0.23 0.00 0.00 176.35 176.58 2vtx n ASN 24 N 2.67 -0.40 0.04 2.29 0.23 -0.40 -1.72 115.26 117.97 2vtx n ASN 24 Ca -0.18 -1.43 0.01 0.00 -0.53 0.00 0.00 54.58 52.45 2vtx n ASN 24 Cb 0.53 0.72 0.33 0.00 -2.08 0.00 0.00 39.78 39.28 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 0.43 0.00 -3.83 4.57 -1.54 -0.02 114.58 114.19 2vtx h GLU 25 Ca -0.07 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2vtx h GLU 25 Cb 0.29 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2vtx h GLU 25 CO 0.09 0.49 -0.42 -0.56 -1.18 0.00 0.00 179.01 177.42 2vtx h GLN 26 N 0.41 0.00 -2.21 1.92 -0.00 -1.97 -3.41 115.11 109.86 2vtx h GLN 26 Ca 0.09 0.00 -0.58 0.00 -0.00 0.00 0.00 58.65 58.16 2vtx h GLN 26 Cb 0.33 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 27.41 2vtx h GLN 26 CO 0.01 0.00 -0.89 0.09 -0.00 0.00 0.00 178.83 178.04 2vtx n ASN 27 N -2.62 1.38 -0.01 0.06 5.03 -0.06 -4.96 115.26 114.07 2vtx n ASN 27 Ca 0.03 -2.91 0.12 0.00 0.87 0.00 0.00 54.58 52.69 2vtx n ASN 27 Cb 0.50 -0.65 0.68 0.00 -1.02 0.00 0.00 39.78 39.30 2vtx n ASN 27 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2vtx n LYS 28 N 1.51 1.02 -3.78 3.52 5.02 -0.99 -1.27 118.16 123.18 2vtx n LYS 28 Ca 0.25 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.38 2vtx n LYS 28 Cb 0.47 -1.37 -0.12 0.00 -0.02 0.00 0.00 35.03 34.00 2vtx n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2vtx s THR 29 N -2.00 -0.01 -0.08 -0.18 2.01 -1.26 0.45 115.64 114.59 2vtx s THR 29 Ca 0.35 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 2vtx s THR 29 Cb 0.16 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.33 2vtx s THR 29 CO 0.27 0.01 0.20 0.12 -0.69 0.00 0.00 174.62 174.53 2vtx s PHE 30 N 0.29 -0.22 -0.18 4.92 5.36 -0.81 -5.00 117.98 122.34 2vtx s PHE 30 Ca -0.01 0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 56.49 2vtx s PHE 30 Cb -0.03 0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.73 2vtx s PHE 30 CO -0.01 -0.11 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.50 2vtx s GLU 31 N 0.15 3.16 -0.26 10.12 2.12 -1.26 -1.08 118.70 131.65 2vtx s GLU 31 Ca -0.00 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 54.33 2vtx s GLU 31 Cb -0.02 -2.71 -0.00 0.00 0.26 0.00 0.00 34.13 31.66 2vtx s GLU 31 CO -0.00 -0.14 0.83 0.12 -0.54 0.00 0.00 175.26 175.52 2vtx s PHE 32 N 1.21 3.28 0.08 5.30 5.36 0.01 -4.96 117.98 128.26 2vtx s PHE 32 Ca 0.02 1.06 0.07 0.00 -0.96 0.00 0.00 56.93 57.13 2vtx s PHE 32 Cb -0.14 -3.11 -0.04 0.00 -0.34 0.00 0.00 43.02 39.39 2vtx s PHE 32 CO -0.07 -0.45 -0.15 0.15 -1.46 0.00 0.00 175.22 173.24 2vtx s LYS 33 N 2.89 2.02 0.99 10.12 1.02 -1.26 -2.17 119.74 133.36 2vtx s LYS 33 Ca 0.35 -1.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.15 2vtx s LYS 33 Cb -0.15 -2.21 0.18 0.00 -0.52 0.00 0.00 37.83 35.13 2vtx s LYS 33 CO 0.09 0.52 1.16 0.54 -0.92 0.00 0.00 175.35 176.74 2vtx s VAL 34 N -1.07 1.91 0.00 3.17 0.11 -1.26 -5.02 120.40 118.24 2vtx s VAL 34 Ca 0.17 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2vtx s VAL 34 Cb -0.11 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2vtx s VAL 34 CO 0.09 0.00 0.00 -1.84 -3.33 0.00 0.00 175.10 170.02 2vtx n GLU 42 N -4.01 0.00 -1.92 1.54 0.28 -1.26 -5.16 120.64 110.11 2vtx n GLU 42 Ca 0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.67 2vtx n GLU 42 Cb 0.59 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.43 2vtx n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2vtx s HIS 43 N 0.00 1.78 0.27 -1.84 -0.00 -1.26 -5.04 115.29 109.20 2vtx s HIS 43 Ca 0.00 0.12 -0.17 0.00 -0.00 0.00 0.00 55.06 55.01 2vtx s HIS 43 Cb 0.00 -4.00 -0.09 0.00 -0.00 0.00 0.00 32.58 28.49 2vtx s HIS 43 CO 0.00 -4.12 0.73 -0.65 -0.00 0.00 0.00 174.74 170.70 2vtx s GLN 44 N 4.39 4.13 -0.22 -0.38 -0.21 -1.26 -4.44 119.66 121.67 2vtx s GLN 44 Ca 0.78 0.77 -0.13 0.00 0.02 0.00 0.00 55.36 56.80 2vtx s GLN 44 Cb -0.34 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 30.96 2vtx s GLN 44 CO 0.33 0.28 0.27 -1.17 -2.12 0.00 0.00 175.29 172.88 2vtx s LEU 45 N -2.45 4.14 -0.31 2.90 0.20 0.03 -4.45 118.68 118.74 2vtx s LEU 45 Ca 0.48 0.31 -0.07 0.00 0.69 0.00 0.00 54.13 55.55 2vtx s LEU 45 Cb -0.14 -2.30 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 2vtx s LEU 45 CO 0.19 0.01 0.09 0.00 -0.29 0.00 0.00 176.35 176.35 2vtx s ALA 46 N 1.11 3.06 0.46 5.97 0.00 -0.31 -0.72 121.76 131.32 2vtx s ALA 46 Ca 0.13 -1.56 -0.24 0.00 0.00 0.00 0.00 51.96 50.30 2vtx s ALA 46 Cb -0.14 -2.19 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 2vtx s ALA 46 CO 0.06 -1.07 1.24 -0.51 0.00 0.00 0.00 175.76 175.48 2vtx s LEU 47 N 1.47 4.04 -0.03 0.00 1.43 -0.45 -1.13 118.68 124.00 2vtx s LEU 47 Ca 0.01 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 2vtx s LEU 47 Cb -0.18 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 2vtx s LEU 47 CO 0.02 -1.02 -0.03 0.54 0.23 0.00 0.00 176.35 176.09 2vtx n ARG 48 N -0.40 0.38 -3.76 1.70 5.12 0.12 -4.68 116.66 115.15 2vtx n ARG 48 Ca 0.07 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.91 2vtx n ARG 48 Cb 0.46 -1.07 -0.05 0.00 -1.16 0.00 0.00 32.46 30.64 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 -2.07 0.06 -0.05 0.55 -4.23 -1.19 -1.69 115.64 107.03 2vtx s THR 49 Ca -0.04 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2vtx s THR 49 Cb 0.01 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.41 2vtx s THR 49 CO 0.08 -0.29 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.11 2vtx s VAL 50 N -3.87 0.73 0.02 2.29 1.01 -0.32 -1.72 120.40 118.55 2vtx s VAL 50 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2vtx s VAL 50 Cb 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2vtx s VAL 50 CO -0.06 0.27 0.15 0.00 0.00 0.00 0.00 175.10 175.46 2vtx s LEU 52 N -1.78 4.28 0.86 0.00 1.43 -0.77 0.06 118.68 122.75 2vtx s LEU 52 Ca -0.09 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 2vtx s LEU 52 Cb -0.04 -3.13 0.10 0.00 0.03 0.00 0.00 46.19 43.15 2vtx s LEU 52 CO -0.01 0.05 1.11 -0.83 0.23 0.00 0.00 176.35 176.90 2vtx s GLY 53 N -2.79 1.60 0.00 -3.19 0.00 -0.08 -4.93 107.32 97.93 2vtx s GLY 53 Ca 0.38 -0.32 0.30 0.00 0.00 0.00 0.00 44.72 45.08 2vtx s GLY 53 CO 0.27 0.16 2.04 2.09 0.00 0.00 0.00 173.10 177.67 2vtx n ASP 54 N -3.62 0.00 -0.68 1.64 5.68 -1.26 -2.84 116.55 115.47 2vtx n ASP 54 Ca 0.07 -0.07 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 2vtx n ASP 54 Cb 0.57 -0.31 0.15 0.00 -1.14 0.00 0.00 41.12 40.40 2vtx n ASP 54 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2vtx n LYS 55 N -1.31 2.59 -1.73 0.11 4.76 -1.26 -5.01 118.16 116.31 2vtx n LYS 55 Ca 0.13 -1.99 -0.40 0.00 -2.87 0.00 0.00 58.31 53.18 2vtx n LYS 55 Cb 0.25 -1.29 0.03 0.00 -1.84 0.00 0.00 35.03 32.18 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vtx n ALA 56 N 0.62 1.54 -1.10 7.82 0.00 -1.13 -4.83 120.51 123.44 2vtx n ALA 56 Ca 0.12 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 2vtx n ALA 56 Cb 0.43 -2.33 0.12 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.57 1.74 -1.28 0.00 -0.14 -1.26 -4.88 119.74 111.35 2vtx s LYS 57 Ca 0.66 1.21 -0.13 0.00 -1.36 0.00 0.00 55.97 56.35 2vtx s LYS 57 Cb -0.45 -1.84 0.13 0.00 -1.68 0.00 0.00 37.83 34.00 2vtx s LYS 57 CO 0.54 -2.02 1.74 -3.47 -0.76 0.00 0.00 175.35 171.38 2vtx n ASP 58 N -3.78 4.94 -4.09 2.83 4.64 -1.26 -4.60 116.55 115.23 2vtx n ASP 58 Ca 0.09 -2.99 -0.10 0.00 -1.38 0.00 0.00 54.79 50.41 2vtx n ASP 58 Cb 0.53 -1.59 -0.08 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 1.89 1.30 0.03 -0.67 -1.05 -1.26 -4.97 118.70 113.97 2vtx s GLU 59 Ca 0.44 -1.41 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 2vtx s GLU 59 Cb 0.05 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 2vtx s GLU 59 CO 0.00 -0.48 1.20 -0.06 0.95 0.00 0.00 175.26 176.88 2vtx s PHE 60 N -4.07 3.36 -0.20 4.83 0.40 -1.26 -4.49 117.98 116.55 2vtx s PHE 60 Ca 0.29 1.27 -0.08 0.00 -0.60 0.00 0.00 56.93 57.81 2vtx s PHE 60 Cb 0.04 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 2vtx s PHE 60 CO 0.08 -1.31 0.07 -1.01 0.70 0.00 0.00 175.22 173.76 2vtx s HIS 61 N 1.40 3.21 -0.15 0.36 3.76 0.98 -3.47 115.29 121.38 2vtx s HIS 61 Ca 0.58 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 2vtx s HIS 61 Cb -0.28 -2.13 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 2vtx s HIS 61 CO 0.27 0.04 -0.15 0.42 -0.85 0.00 0.00 174.74 174.47 2vtx s ILE 62 N 0.69 2.68 -0.11 0.60 1.01 -1.04 -0.53 121.20 124.50 2vtx s ILE 62 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2vtx s ILE 62 Cb -0.13 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2vtx s ILE 62 CO 0.02 0.51 -0.11 0.54 0.00 0.00 0.00 174.94 175.90 2vtx s VAL 63 N 0.80 3.24 0.07 2.92 0.11 -0.75 -1.71 120.40 125.07 2vtx s VAL 63 Ca -0.05 -0.61 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 2vtx s VAL 63 Cb -0.15 -2.35 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 2vtx s VAL 63 CO 0.00 0.54 -0.18 -1.83 -3.33 0.00 0.00 175.10 170.30 2vtx s GLU 64 N 0.06 1.10 -0.07 1.54 -1.05 0.06 -0.82 118.70 119.52 2vtx s GLU 64 Ca -0.04 -0.98 -0.22 0.00 -0.15 0.00 0.00 54.97 53.58 2vtx s GLU 64 Cb -0.14 -1.23 -0.04 0.00 -0.44 0.00 0.00 34.13 32.28 2vtx s GLU 64 CO 0.04 0.30 0.65 0.42 0.95 0.00 0.00 175.26 177.61 2vtx s ILE 65 N -1.02 5.05 -0.24 1.83 1.01 -0.82 -0.40 121.20 126.62 2vtx s ILE 65 Ca 0.04 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.05 2vtx s ILE 65 Cb -0.09 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.44 2vtx s ILE 65 CO 0.03 0.29 -0.13 -0.69 0.00 0.00 0.00 174.94 174.43 2vtx s VAL 66 N 0.64 2.17 0.41 2.92 1.01 0.91 -0.80 120.40 127.67 2vtx s VAL 66 Ca 0.35 -1.45 0.07 0.00 0.00 0.00 0.00 61.98 60.95 2vtx s VAL 66 Cb -0.17 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2vtx s VAL 66 CO 0.17 0.12 0.03 -0.62 0.00 0.00 0.00 175.10 174.79 2vtx s ASP 67 N 1.16 3.96 -0.34 3.32 -1.08 -0.93 -2.37 116.67 120.38 2vtx s ASP 67 Ca -0.05 -1.31 -0.02 0.00 -0.52 0.00 0.00 52.55 50.65 2vtx s ASP 67 Cb -0.18 -0.41 0.08 0.00 -1.46 0.00 0.00 42.92 40.94 2vtx s ASP 67 CO -0.07 -0.45 0.08 -1.10 0.52 0.00 0.00 175.17 174.15 2vtx s GLN 68 N -3.73 2.18 -1.16 4.34 -1.52 -1.26 -1.63 119.66 116.88 2vtx s GLN 68 Ca 0.36 -1.53 -0.13 0.00 -1.95 0.00 0.00 55.36 52.10 2vtx s GLN 68 Cb 0.09 -3.34 -0.02 0.00 -0.22 0.00 0.00 33.01 29.52 2vtx s GLN 68 CO 0.19 -0.82 0.79 -0.85 -0.25 0.00 0.00 175.29 174.35 2vtx n GLU 69 N 4.58 -2.14 -0.88 2.91 -0.00 -1.26 -4.96 120.64 118.89 2vtx n GLU 69 Ca -0.07 0.57 -0.01 0.00 -0.00 0.00 0.00 57.16 57.65 2vtx n GLU 69 Cb 0.42 -4.69 0.00 0.00 -0.00 0.00 0.00 31.44 27.18 2vtx n GLU 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2vtx n GLU 70 N -4.00 -0.05 0.00 3.44 -0.00 -1.26 -2.11 120.64 116.66 2vtx n GLU 70 Ca -0.13 0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 2vtx n GLU 70 Cb 0.62 -0.07 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 2vtx n GLU 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vtx n GLY 71 N 0.25 2.83 3.42 -1.84 0.00 -1.26 -4.96 105.19 103.63 2vtx n GLY 71 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2vtx n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vtx s ALA 72 N -0.94 2.50 -0.51 4.61 0.00 -0.90 -5.09 121.76 121.44 2vtx s ALA 72 Ca 0.00 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.00 2vtx s ALA 72 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2vtx s ALA 72 CO 0.00 0.36 1.44 -2.00 0.00 0.00 0.00 175.76 175.56 2vtx s GLU 73 N -2.92 3.36 -0.35 0.00 -6.30 -1.26 -4.50 118.70 106.73 2vtx s GLU 73 Ca 0.22 0.64 -0.26 0.00 -2.50 0.00 0.00 54.97 53.07 2vtx s GLU 73 Cb -0.07 -4.11 0.01 0.00 0.00 0.00 0.00 34.13 29.97 2vtx s GLU 73 CO 0.11 -1.85 0.95 -1.59 0.02 0.00 0.00 175.26 172.90 2vtx s LYS 74 N 5.40 3.91 -0.18 4.30 0.00 -0.65 -4.97 119.74 127.55 2vtx s LYS 74 Ca 0.56 0.70 -0.13 0.00 0.00 0.00 0.00 55.97 57.11 2vtx s LYS 74 Cb -0.12 -3.78 -0.05 0.00 0.00 0.00 0.00 37.83 33.89 2vtx s LYS 74 CO 0.27 -0.91 0.28 -1.12 0.00 0.00 0.00 175.35 173.87 2vtx s SER 75 N 1.80 6.37 -0.28 0.03 0.01 -1.26 -2.18 113.70 118.19 2vtx s SER 75 Ca 0.39 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2vtx s SER 75 Cb -0.12 -2.17 0.08 0.00 0.21 0.00 0.00 66.02 64.02 2vtx s SER 75 CO 0.17 0.07 0.04 -0.69 0.41 0.00 0.00 173.24 173.24 2vtx s VAL 76 N 0.71 1.21 0.23 3.43 1.01 0.02 -4.96 120.40 122.06 2vtx s VAL 76 Ca 0.15 -1.37 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 2vtx s VAL 76 Cb -0.13 -1.76 -0.14 0.00 0.00 0.00 0.00 36.38 34.35 2vtx s VAL 76 CO 0.04 -0.44 1.33 -2.65 0.00 0.00 0.00 175.10 173.38 2vtx n PRO 77 N 4.74 1.83 0.00 2.72 -0.02 -1.26 -1.94 135.00 141.07 2vtx n PRO 77 Ca -0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2vtx n PRO 77 Cb 0.43 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2vtx n PRO 77 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2vtx n ILE 78 N 1.66 0.00 -3.76 4.25 -5.35 0.00 -4.88 119.36 111.27 2vtx n ILE 78 Ca 0.12 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 2vtx n ILE 78 Cb 0.30 0.66 -0.12 0.00 -1.74 0.00 0.00 39.64 38.74 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 -1.20 -0.60 -0.11 -1.28 0.00 -1.09 -5.02 121.76 112.46 2vtx s ALA 79 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2vtx s ALA 79 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2vtx s ALA 79 CO 0.00 -0.15 -0.22 0.99 0.00 0.00 0.00 175.76 176.38 2vtx s THR 80 N 0.60 2.18 0.05 0.00 2.01 -1.26 -1.82 115.64 117.39 2vtx s THR 80 Ca -0.04 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 2vtx s THR 80 Cb -0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2vtx s THR 80 CO -0.03 0.55 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.65 2vtx s LEU 81 N 0.43 2.43 -0.28 4.42 1.43 0.31 -4.96 118.68 122.46 2vtx s LEU 81 Ca -0.16 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 51.88 2vtx s LEU 81 Cb -0.17 0.14 0.09 0.00 0.03 0.00 0.00 46.19 46.28 2vtx s LEU 81 CO 0.07 -0.51 0.77 -0.75 0.23 0.00 0.00 176.35 176.15 2vtx s LYS 82 N -3.32 0.66 0.25 1.70 2.20 0.15 -0.01 119.74 121.37 2vtx s LYS 82 Ca 0.02 1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 56.63 2vtx s LYS 82 Cb 0.03 0.19 0.48 0.00 -1.51 0.00 0.00 37.83 37.02 2vtx s LYS 82 CO -0.07 -0.12 1.69 -1.35 -0.36 0.00 0.00 175.35 175.13 2vtx h PRO 83 N 6.27 0.27 -0.01 4.03 0.11 -1.79 0.69 132.00 141.58 2vtx h PRO 83 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2vtx h PRO 83 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2vtx h PRO 83 CO 0.14 0.18 -0.06 -1.13 -0.21 0.00 0.00 178.00 176.92 2vtx n SER 84 N -5.15 1.18 -0.00 -2.05 3.41 -1.26 -4.30 113.62 105.44 2vtx n SER 84 Ca 0.15 -1.26 -0.02 0.00 -0.26 0.00 0.00 58.87 57.48 2vtx n SER 84 Cb 0.47 0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.24 -3.22 -1.33 2.08 0.81 -5.02 119.36 112.73 2vtx n ILE 85 Ca 0.18 0.02 -0.01 0.00 0.56 0.00 0.00 62.75 63.49 2vtx n ILE 85 Cb 0.32 -1.54 -0.03 0.00 -0.75 0.00 0.00 39.64 37.64 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 -6.22 -1.21 0.00 1.39 2.96 0.21 -4.95 118.68 110.86 2vtx s LEU 86 Ca -0.03 0.24 0.15 0.00 -0.22 0.00 0.00 54.13 54.28 2vtx s LEU 86 Cb 0.01 1.71 0.46 0.00 0.50 0.00 0.00 46.19 48.87 2vtx s LEU 86 CO 0.04 -0.30 1.37 -0.81 -1.32 0.00 0.00 176.35 175.32 2vtx n PRO 87 N 5.40 1.89 -3.64 0.98 -0.04 -1.24 -0.67 135.00 137.68 2vtx n PRO 87 Ca 0.01 -1.38 -0.04 0.00 -0.04 0.00 0.00 63.50 62.06 2vtx n PRO 87 Cb 0.51 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.55 0.79 -0.12 0.54 0.23 -1.26 -1.86 119.30 116.06 2vtx s MET 88 Ca 0.29 -0.39 -0.10 0.00 -1.03 0.00 0.00 55.69 54.46 2vtx s MET 88 Cb 0.15 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.79 2vtx s MET 88 CO 0.21 -0.36 0.32 0.00 -2.03 0.00 0.00 175.02 173.16 2vtx s ALA 89 N -2.92 -0.79 -0.15 3.16 0.00 0.59 -4.98 121.76 116.67 2vtx s ALA 89 Ca 0.10 1.01 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 2vtx s ALA 89 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2vtx s ALA 89 CO -0.03 -0.18 0.91 0.99 0.00 0.00 0.00 175.76 177.45 2vtx s THR 90 N 0.53 4.83 -0.03 0.00 2.01 -1.26 -1.17 115.64 120.54 2vtx s THR 90 Ca -0.03 1.81 -0.17 0.00 0.31 0.00 0.00 61.69 63.61 2vtx s THR 90 Cb -0.05 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2vtx s THR 90 CO -0.03 -0.00 0.46 -0.04 -0.69 0.00 0.00 174.62 174.32 2vtx s MET 91 N 2.20 4.13 -0.04 4.92 -1.94 -0.68 -4.99 119.30 122.90 2vtx s MET 91 Ca 0.42 0.47 0.01 0.00 -1.71 0.00 0.00 55.69 54.88 2vtx s MET 91 Cb -0.17 -3.31 0.02 0.00 2.01 0.00 0.00 34.83 33.39 2vtx s MET 91 CO 0.14 0.48 -0.02 0.08 -0.01 0.00 0.00 175.02 175.68 2vtx s VAL 92 N -0.42 0.40 0.00 -6.03 1.01 -1.26 -4.60 120.40 109.50 2vtx s VAL 92 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2vtx s VAL 92 Cb -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2vtx s VAL 92 CO 0.13 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2vtx n GLY 93 N 4.20 0.49 3.54 4.51 0.00 -1.26 -4.95 105.19 111.71 2vtx n GLY 93 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.27 3.81 -0.13 -0.61 1.01 -1.26 -4.98 121.20 116.78 2vtx s ILE 94 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2vtx s ILE 94 Cb 0.00 -4.88 -0.01 0.00 0.01 0.00 0.00 42.46 37.58 2vtx s ILE 94 CO 0.00 -1.78 -0.14 -1.61 0.00 0.00 0.00 174.94 171.42 2vtx s GLU 95 N 5.49 3.35 0.01 2.79 2.02 -1.26 -1.35 118.70 129.75 2vtx s GLU 95 Ca 0.34 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2vtx s GLU 95 Cb -0.09 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2vtx s GLU 95 CO 0.15 0.22 -0.10 -0.51 0.02 0.00 0.00 175.26 175.04 2vtx s LEU 96 N 0.32 2.07 -0.17 1.80 1.43 0.10 -4.95 118.68 119.28 2vtx s LEU 96 Ca -0.11 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 2vtx s LEU 96 Cb -0.16 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2vtx s LEU 96 CO 0.06 0.07 0.55 -1.81 0.23 0.00 0.00 176.35 175.45 2vtx s ASP 97 N -0.50 6.64 0.54 2.29 1.01 -1.26 -0.79 116.67 124.61 2vtx s ASP 97 Ca 0.02 0.78 -0.21 0.00 0.71 0.00 0.00 52.55 53.85 2vtx s ASP 97 Cb -0.05 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 2vtx s ASP 97 CO -0.00 -0.17 1.24 -2.16 0.21 0.00 0.00 175.17 174.29 2vtx s PRO 98 N 1.46 3.24 -0.00 8.23 0.04 -1.26 -4.20 135.00 142.51 2vtx s PRO 98 Ca 0.26 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 2vtx s PRO 98 Cb -0.16 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 2vtx s PRO 98 CO 0.10 -1.01 0.40 -1.25 0.04 0.00 0.00 177.00 175.29 2vtx s PRO 99 N -3.03 3.91 0.00 0.56 0.04 -1.26 -4.86 135.00 130.36 2vtx s PRO 99 Ca 0.72 0.40 0.04 0.00 0.04 0.00 0.00 61.00 62.20 2vtx s PRO 99 Cb -0.33 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 2vtx s PRO 99 CO 0.37 0.69 -0.12 0.14 0.04 0.00 0.00 177.00 178.12 2vtx s VAL 100 N -1.06 0.97 0.04 -0.36 -7.23 -0.92 -4.88 120.40 106.96 2vtx s VAL 100 Ca 0.24 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2vtx s VAL 100 Cb -0.17 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2vtx s VAL 100 CO 0.13 0.19 0.01 -0.89 -0.31 0.00 0.00 175.10 174.23 2vtx s THR 101 N -0.44 4.14 -0.16 5.32 2.01 -1.00 -0.81 115.64 124.70 2vtx s THR 101 Ca 0.04 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 2vtx s THR 101 Cb -0.05 -2.91 -0.00 0.00 0.01 0.00 0.00 72.50 69.54 2vtx s THR 101 CO -0.00 0.25 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.68 2vtx s PHE 102 N -1.21 2.82 -0.02 4.92 0.40 -0.24 -0.06 117.98 124.58 2vtx s PHE 102 Ca 0.23 -1.00 0.07 0.00 -0.60 0.00 0.00 56.93 55.62 2vtx s PHE 102 Cb -0.12 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 2vtx s PHE 102 CO 0.15 -0.47 -0.22 0.50 0.70 0.00 0.00 175.22 175.88 2vtx s ARG 103 N 0.88 1.88 -0.98 0.44 3.52 0.47 -1.92 118.95 123.23 2vtx s ARG 103 Ca -0.04 -0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 2vtx s ARG 103 Cb -0.15 -1.78 0.10 0.00 -1.56 0.00 0.00 34.95 31.56 2vtx s ARG 103 CO -0.01 0.45 1.28 -1.17 -0.81 0.00 0.00 175.30 175.05 2vtx s LEU 104 N -0.45 4.40 0.34 -0.88 2.96 0.17 -0.76 118.68 124.47 2vtx s LEU 104 Ca 0.07 -1.85 0.07 0.00 -0.22 0.00 0.00 54.13 52.20 2vtx s LEU 104 Cb -0.09 -2.47 0.63 0.00 0.50 0.00 0.00 46.19 44.76 2vtx s LEU 104 CO -0.00 -1.24 1.83 0.50 -1.32 0.00 0.00 176.35 176.13 2vtx h LYS 105 N 9.14 0.30 -3.65 1.98 3.64 -1.64 -3.45 116.57 122.88 2vtx h LYS 105 Ca 0.19 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 2vtx h LYS 105 Cb 1.01 -0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.61 2vtx h LYS 105 CO 1.25 0.50 -0.51 0.00 -2.27 0.00 0.00 179.45 178.42 2vtx s ALA 106 N -4.58 -0.20 0.00 5.00 0.00 -1.23 -4.93 121.76 115.82 2vtx s ALA 106 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2vtx s ALA 106 Cb 0.15 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2vtx s ALA 106 CO 0.75 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2vtx n GLY 107 N 1.13 2.23 0.67 0.00 0.00 -1.23 -2.48 105.19 105.51 2vtx n GLY 107 Ca -0.21 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.15 2vtx n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vtx n SER 108 N 0.00 2.38 -0.46 1.61 7.64 -1.26 -4.73 113.62 118.81 2vtx n SER 108 Ca 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2vtx n SER 108 Cb 0.00 0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2vtx n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vtx n GLY 109 N 1.29 -1.58 3.73 0.23 0.00 -1.26 -1.45 105.19 106.15 2vtx n GLY 109 Ca 0.11 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2vtx n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2vtx s PRO 110 N -0.04 4.27 -0.05 1.61 0.02 -1.26 -4.16 135.00 135.39 2vtx s PRO 110 Ca 0.00 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.34 2vtx s PRO 110 Cb 0.00 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 2vtx s PRO 110 CO 0.00 -0.48 -0.21 -1.17 -0.33 0.00 0.00 177.00 174.81 2vtx s LEU 111 N 0.40 1.99 -0.04 -5.54 0.20 -0.70 -0.90 118.68 114.09 2vtx s LEU 111 Ca 0.64 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 55.07 2vtx s LEU 111 Cb -0.41 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 2vtx s LEU 111 CO 0.37 0.20 -0.16 -0.31 -0.29 0.00 0.00 176.35 176.15 2vtx s TYR 112 N -0.06 2.64 0.06 5.38 1.51 0.11 -1.30 117.35 125.69 2vtx s TYR 112 Ca -0.04 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 2vtx s TYR 112 Cb -0.13 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 2vtx s TYR 112 CO 0.03 0.15 -0.20 0.42 -1.11 0.00 0.00 175.55 174.83 2vtx s ILE 113 N -0.71 2.64 0.11 2.71 1.01 -0.73 -1.56 121.20 124.67 2vtx s ILE 113 Ca 0.11 -1.34 0.05 0.00 0.00 0.00 0.00 60.65 59.47 2vtx s ILE 113 Cb -0.10 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2vtx s ILE 113 CO 0.00 0.27 -0.12 -0.94 0.00 0.00 0.00 174.94 174.16 2vtx s SER 114 N -1.60 1.72 0.26 3.58 1.04 -0.70 -1.18 113.70 116.83 2vtx s SER 114 Ca 0.15 -0.84 -0.20 0.00 0.48 0.00 0.00 55.95 55.54 2vtx s SER 114 Cb -0.10 -0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.06 2vtx s SER 114 CO 0.06 -0.22 0.93 -0.83 0.98 0.00 0.00 173.24 174.15 2vtx s GLY 115 N -2.54 0.18 -0.06 7.32 0.00 0.30 0.14 107.32 112.65 2vtx s GLY 115 Ca 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.36 2vtx s GLY 115 CO 0.01 1.11 -0.12 1.20 0.00 0.00 0.00 173.10 175.30 2vtx s GLN 116 N -2.36 1.66 0.00 2.90 -0.21 -0.29 0.56 119.66 121.93 2vtx s GLN 116 Ca 0.18 -0.42 0.32 0.00 0.02 0.00 0.00 55.36 55.46 2vtx s GLN 116 Cb -0.04 -1.38 1.85 0.00 1.00 0.00 0.00 33.01 34.44 2vtx s GLN 116 CO 0.08 0.05 2.20 0.72 -2.12 0.00 0.00 175.29 176.21