#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 2.12 -3.86 1.96 0.13 -1.26 -2.58 119.36 115.86 2vtx n ILE 18 Ca 0.00 -0.50 -0.11 0.00 -1.10 0.00 0.00 62.75 61.04 2vtx n ILE 18 Cb 0.00 -1.81 -0.09 0.00 -0.84 0.00 0.00 39.64 36.90 2vtx n ILE 18 CO 0.00 0.00 0.00 0.86 2.80 0.00 0.00 176.55 180.21 2vtx s TRP 19 N -1.12 0.04 0.13 9.51 -0.00 -0.04 -4.96 118.94 122.50 2vtx s TRP 19 Ca 0.55 -0.19 -0.24 0.00 -0.00 0.00 0.00 56.10 56.22 2vtx s TRP 19 Cb -0.50 -0.04 0.07 0.00 -0.00 0.00 0.00 33.47 33.00 2vtx s TRP 19 CO 0.62 -0.35 0.63 0.20 -0.00 0.00 0.00 176.95 178.05 2vtx s GLY 20 N -1.69 -0.60 0.49 5.86 0.00 -1.26 0.00 107.32 110.11 2vtx s GLY 20 Ca -0.10 0.61 0.02 0.00 0.00 0.00 0.00 44.72 45.24 2vtx s GLY 20 CO -0.01 0.24 0.01 0.00 0.00 0.00 0.00 173.10 173.35 2vtx s GLU 22 N -3.84 1.23 0.06 0.00 2.12 -1.26 -2.45 118.70 114.56 2vtx s GLU 22 Ca 0.12 -0.64 -0.18 0.00 0.36 0.00 0.00 54.97 54.63 2vtx s GLU 22 Cb 0.03 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 2vtx s GLU 22 CO 0.06 -0.56 0.52 -0.51 -0.54 0.00 0.00 175.26 174.24 2vtx s LEU 23 N 1.63 4.50 0.00 2.70 1.43 -0.16 -4.95 118.68 123.84 2vtx s LEU 23 Ca -0.02 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2vtx s LEU 23 Cb -0.17 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.21 2vtx s LEU 23 CO -0.07 0.28 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 2vtx n ASN 24 N 1.68 0.00 -0.12 2.29 0.23 -1.01 -1.03 115.26 117.30 2vtx n ASN 24 Ca -0.11 -0.15 -0.13 0.00 -0.53 0.00 0.00 54.58 53.66 2vtx n ASN 24 Cb 0.51 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.89 0.55 -3.83 4.81 -1.63 -2.48 114.58 112.89 2vtx h GLU 25 Ca 0.00 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2vtx h GLU 25 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2vtx h GLU 25 CO 0.00 1.09 -0.27 1.96 -0.73 0.00 0.00 179.01 181.06 2vtx h GLN 26 N 0.70 -0.72 -3.15 1.92 1.08 -1.98 -3.39 115.11 109.57 2vtx h GLN 26 Ca 0.07 0.05 -0.78 0.00 -1.45 0.00 0.00 58.65 56.54 2vtx h GLN 26 Cb 0.89 0.16 -0.20 0.00 -0.05 0.00 0.00 27.48 28.29 2vtx h GLN 26 CO 0.08 -0.42 1.61 0.09 -0.95 0.00 0.00 178.83 179.24 2vtx n ASN 27 N -5.29 5.95 0.02 1.46 3.02 -1.13 -4.80 115.26 114.49 2vtx n ASN 27 Ca -0.11 -3.25 0.07 0.00 -0.03 0.00 0.00 54.58 51.27 2vtx n ASN 27 Cb 0.32 -1.38 0.30 0.00 -0.61 0.00 0.00 39.78 38.41 2vtx n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vtx n LYS 28 N 2.59 0.03 -4.20 3.52 5.02 -0.95 -2.40 118.16 121.77 2vtx n LYS 28 Ca 0.38 0.32 -0.19 0.00 -2.02 0.00 0.00 58.31 56.80 2vtx n LYS 28 Cb 0.33 -1.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.66 2vtx n LYS 28 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2vtx s THR 29 N -3.06 1.24 -0.13 -0.18 -4.23 -1.26 -1.40 115.64 106.63 2vtx s THR 29 Ca 0.05 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 2vtx s THR 29 Cb 0.08 -1.21 0.05 0.00 1.34 0.00 0.00 72.50 72.76 2vtx s THR 29 CO 0.24 -0.22 0.29 0.12 -0.54 0.00 0.00 174.62 174.52 2vtx s PHE 30 N -1.35 -0.42 -0.18 3.99 5.36 -1.13 -4.94 117.98 119.31 2vtx s PHE 30 Ca 0.01 0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 56.90 2vtx s PHE 30 Cb -0.09 0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 2vtx s PHE 30 CO 0.03 -0.28 -0.09 -1.21 -1.46 0.00 0.00 175.22 172.21 2vtx s GLU 31 N 1.46 3.35 -0.36 10.12 2.02 -1.26 -1.34 118.70 132.68 2vtx s GLU 31 Ca -0.08 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 2vtx s GLU 31 Cb -0.10 -2.82 -0.00 0.00 0.10 0.00 0.00 34.13 31.30 2vtx s GLU 31 CO -0.10 -0.04 0.39 0.12 0.02 0.00 0.00 175.26 175.66 2vtx s PHE 32 N 1.01 3.20 -0.29 1.61 5.36 -0.71 -5.03 117.98 123.13 2vtx s PHE 32 Ca -0.01 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2vtx s PHE 32 Cb -0.15 -2.74 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 2vtx s PHE 32 CO -0.01 -0.49 -0.02 -1.59 -1.46 0.00 0.00 175.22 171.64 2vtx s LYS 33 N 2.08 2.43 0.16 10.12 -2.85 -1.26 -2.76 119.74 127.65 2vtx s LYS 33 Ca 0.13 -1.26 -0.31 0.00 -1.00 0.00 0.00 55.97 53.52 2vtx s LYS 33 Cb -0.17 -3.12 -0.17 0.00 -2.06 0.00 0.00 37.83 32.31 2vtx s LYS 33 CO 0.12 -0.60 0.79 1.33 0.10 0.00 0.00 175.35 177.09 2vtx n VAL 34 N 4.60 1.42 -2.98 1.79 0.24 -1.26 -5.06 118.33 117.07 2vtx n VAL 34 Ca -0.13 -0.35 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 2vtx n VAL 34 Cb 0.43 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.51 2vtx n VAL 34 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2vtx s HIS 43 N -0.68 3.00 0.00 6.34 5.65 -1.26 -5.12 115.29 123.23 2vtx s HIS 43 Ca 0.70 0.16 0.00 0.00 0.25 0.00 0.00 55.06 56.17 2vtx s HIS 43 Cb -0.96 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 26.81 2vtx s HIS 43 CO 0.56 -0.97 0.00 1.04 -0.65 0.00 0.00 174.74 174.72 2vtx n GLN 44 N 6.67 0.00 -5.01 2.88 6.02 -1.26 -4.10 117.38 122.58 2vtx n GLN 44 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.69 2vtx n GLN 44 Cb 0.48 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.58 2vtx n GLN 44 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2vtx s LEU 45 N -1.12 2.39 -0.34 1.08 0.20 0.12 -0.59 118.68 120.42 2vtx s LEU 45 Ca 0.00 -0.45 -0.07 0.00 0.69 0.00 0.00 54.13 54.30 2vtx s LEU 45 Cb 0.00 -1.51 0.04 0.00 -0.43 0.00 0.00 46.19 44.29 2vtx s LEU 45 CO 0.00 0.16 0.12 0.00 -0.29 0.00 0.00 176.35 176.35 2vtx s ALA 46 N 0.34 3.09 0.48 5.97 0.00 -0.64 0.14 121.76 131.14 2vtx s ALA 46 Ca -0.15 -1.72 -0.22 0.00 0.00 0.00 0.00 51.96 49.86 2vtx s ALA 46 Cb -0.17 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 2vtx s ALA 46 CO 0.07 -1.32 1.16 -0.51 0.00 0.00 0.00 175.76 175.16 2vtx s LEU 47 N 1.44 3.95 -0.01 0.00 1.43 -0.29 -0.96 118.68 124.24 2vtx s LEU 47 Ca -0.01 2.29 -0.06 0.00 -1.03 0.00 0.00 54.13 55.33 2vtx s LEU 47 Cb -0.19 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 2vtx s LEU 47 CO 0.04 -1.00 -0.11 0.54 0.23 0.00 0.00 176.35 176.04 2vtx n ARG 48 N -0.67 0.17 -3.88 1.70 5.12 -0.51 -4.65 116.66 113.94 2vtx n ARG 48 Ca 0.08 0.07 -0.09 0.00 -1.93 0.00 0.00 57.85 55.98 2vtx n ARG 48 Cb 0.49 -0.80 -0.06 0.00 -1.16 0.00 0.00 32.46 30.92 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 -2.27 0.07 -0.07 0.55 -4.23 -1.23 -0.32 115.64 108.14 2vtx s THR 49 Ca -0.10 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2vtx s THR 49 Cb 0.02 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.21 2vtx s THR 49 CO 0.14 -0.33 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.06 2vtx s VAL 50 N -3.92 1.29 0.06 2.29 1.01 -0.54 -0.77 120.40 119.82 2vtx s VAL 50 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2vtx s VAL 50 Cb 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2vtx s VAL 50 CO -0.03 0.39 0.19 0.00 0.00 0.00 0.00 175.10 175.65 2vtx s LEU 52 N -2.38 4.17 0.45 0.00 1.43 -0.92 -0.56 118.68 120.87 2vtx s LEU 52 Ca -0.01 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2vtx s LEU 52 Cb 0.01 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 2vtx s LEU 52 CO -0.07 -0.13 0.67 -0.83 0.23 0.00 0.00 176.35 176.23 2vtx s GLY 53 N -3.55 1.56 0.00 -3.19 0.00 -0.34 -4.93 107.32 96.88 2vtx s GLY 53 Ca 0.39 -1.04 0.10 0.00 0.00 0.00 0.00 44.72 44.16 2vtx s GLY 53 CO 0.31 -0.87 1.05 2.09 0.00 0.00 0.00 173.10 175.68 2vtx n ASP 54 N -2.08 0.00 0.00 1.64 5.75 -1.26 -2.12 116.55 118.48 2vtx n ASP 54 Ca 0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 2vtx n ASP 54 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.83 1.72 -1.65 0.11 4.76 -1.26 -5.03 118.16 115.98 2vtx n LYS 55 Ca 0.08 -1.07 -0.39 0.00 -2.87 0.00 0.00 58.31 54.06 2vtx n LYS 55 Cb 0.04 -0.80 0.04 0.00 -1.84 0.00 0.00 35.03 32.47 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 -0.29 0.61 -1.73 7.82 0.00 -0.90 -4.80 120.51 121.22 2vtx n ALA 56 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 2vtx n ALA 56 Cb 0.35 -2.18 0.09 0.00 0.00 0.00 0.00 19.45 17.71 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 -2.67 2.04 -1.32 0.00 1.02 -1.26 -4.83 119.74 112.71 2vtx s LYS 57 Ca 0.72 0.37 -0.10 0.00 0.02 0.00 0.00 55.97 56.98 2vtx s LYS 57 Cb -0.44 -1.94 0.14 0.00 -0.52 0.00 0.00 37.83 35.07 2vtx s LYS 57 CO 0.49 -1.60 1.96 -3.47 -0.92 0.00 0.00 175.35 171.82 2vtx n ASP 58 N -3.37 4.80 -4.04 2.83 4.64 -1.26 -4.65 116.55 115.50 2vtx n ASP 58 Ca 0.07 -3.05 -0.10 0.00 -1.38 0.00 0.00 54.79 50.34 2vtx n ASP 58 Cb 0.58 -1.52 -0.08 0.00 -1.04 0.00 0.00 41.12 39.06 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 1.05 1.17 0.03 -0.67 -1.05 -1.26 -4.91 118.70 113.06 2vtx s GLU 59 Ca 0.41 -1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 2vtx s GLU 59 Cb 0.11 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 34.06 2vtx s GLU 59 CO -0.02 -0.41 1.81 -0.06 0.95 0.00 0.00 175.26 177.53 2vtx s PHE 60 N -4.02 1.78 -0.09 4.83 0.40 -1.26 -4.38 117.98 115.24 2vtx s PHE 60 Ca 0.23 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.44 2vtx s PHE 60 Cb 0.04 -4.10 -0.03 0.00 0.51 0.00 0.00 43.02 39.44 2vtx s PHE 60 CO 0.04 -4.72 0.03 -1.01 0.70 0.00 0.00 175.22 170.25 2vtx s HIS 61 N 3.82 3.24 -0.01 0.36 3.76 0.59 -3.57 115.29 123.48 2vtx s HIS 61 Ca 0.81 0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.99 2vtx s HIS 61 Cb -0.40 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.47 2vtx s HIS 61 CO 0.36 0.52 -0.05 0.42 -0.85 0.00 0.00 174.74 175.14 2vtx s ILE 62 N -0.92 0.38 -0.08 0.60 1.01 -0.70 -1.09 121.20 120.40 2vtx s ILE 62 Ca 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2vtx s ILE 62 Cb -0.11 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2vtx s ILE 62 CO 0.03 0.11 -0.10 0.54 0.00 0.00 0.00 174.94 175.52 2vtx s VAL 63 N -0.07 1.01 0.23 2.92 0.11 -0.79 -1.68 120.40 122.14 2vtx s VAL 63 Ca 0.01 -0.37 0.10 0.00 -2.93 0.00 0.00 61.98 58.79 2vtx s VAL 63 Cb -0.02 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2vtx s VAL 63 CO -0.00 0.34 -0.19 -1.83 -3.33 0.00 0.00 175.10 170.09 2vtx s GLU 64 N 1.01 1.49 -0.24 1.54 -1.05 0.18 -0.78 118.70 120.84 2vtx s GLU 64 Ca -0.08 -1.63 -0.12 0.00 -0.15 0.00 0.00 54.97 52.99 2vtx s GLU 64 Cb -0.15 -1.52 -0.05 0.00 -0.44 0.00 0.00 34.13 31.98 2vtx s GLU 64 CO -0.00 0.29 0.23 0.42 0.95 0.00 0.00 175.26 177.14 2vtx s ILE 65 N -2.47 5.31 -0.15 1.83 1.01 0.81 -0.54 121.20 127.00 2vtx s ILE 65 Ca 0.24 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 61.12 2vtx s ILE 65 Cb -0.04 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2vtx s ILE 65 CO 0.11 0.30 0.17 -0.69 0.00 0.00 0.00 174.94 174.82 2vtx s VAL 66 N 1.27 5.42 0.18 2.92 1.01 0.15 -1.78 120.40 129.57 2vtx s VAL 66 Ca 0.10 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.45 2vtx s VAL 66 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2vtx s VAL 66 CO 0.06 0.52 -0.16 -1.81 0.00 0.00 0.00 175.10 173.71 2vtx s ASP 67 N -0.29 3.89 0.00 3.32 1.11 -1.26 -2.46 116.67 120.98 2vtx s ASP 67 Ca 0.13 -0.70 0.00 0.00 0.18 0.00 0.00 52.55 52.16 2vtx s ASP 67 Cb -0.12 -0.51 0.00 0.00 1.07 0.00 0.00 42.92 43.36 2vtx s ASP 67 CO 0.02 0.11 0.00 0.00 1.18 0.00 0.00 175.17 176.48 2vtx n GLN 68 N 0.18 0.00 0.01 8.23 0.00 -1.26 -4.86 117.38 119.67 2vtx n GLN 68 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.88 2vtx n GLN 68 Cb 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 29.92 2vtx n GLN 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2vtx n LYS 74 N 0.25 0.00 -3.88 2.61 4.76 -1.26 -5.26 118.16 115.38 2vtx n LYS 74 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 2vtx n LYS 74 Cb 0.00 -0.06 -0.17 0.00 -1.84 0.00 0.00 35.03 32.96 2vtx n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2vtx s SER 75 N -4.90 1.09 -0.31 4.39 0.01 -1.26 -3.94 113.70 108.78 2vtx s SER 75 Ca 0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 2vtx s SER 75 Cb 0.00 -0.35 0.11 0.00 0.21 0.00 0.00 66.02 65.99 2vtx s SER 75 CO 0.00 -0.15 0.14 -0.69 0.41 0.00 0.00 173.24 172.95 2vtx s VAL 76 N 1.53 0.27 0.25 3.43 1.01 -0.73 -4.96 120.40 121.20 2vtx s VAL 76 Ca -0.02 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.53 2vtx s VAL 76 Cb -0.13 -1.22 -0.12 0.00 0.00 0.00 0.00 36.38 34.91 2vtx s VAL 76 CO -0.03 -0.75 1.67 -2.65 0.00 0.00 0.00 175.10 173.33 2vtx n PRO 77 N 4.93 2.74 0.00 2.72 -0.02 -1.26 -0.14 135.00 143.97 2vtx n PRO 77 Ca -0.02 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2vtx n PRO 77 Cb 0.41 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 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 3.12 0.00 -3.82 4.25 -5.35 0.04 -4.89 119.36 112.70 2vtx n ILE 78 Ca 0.13 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.47 2vtx n ILE 78 Cb 0.36 0.02 -0.15 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.69 -0.01 -0.18 -1.28 0.00 -1.16 -4.99 121.76 112.45 2vtx s ALA 79 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 2vtx s ALA 79 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2vtx s ALA 79 CO 0.00 -0.05 -0.09 0.99 0.00 0.00 0.00 175.76 176.61 2vtx s THR 80 N 0.47 3.16 0.22 0.00 2.01 -1.26 -1.89 115.64 118.36 2vtx s THR 80 Ca -0.04 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2vtx s THR 80 Cb -0.06 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 2vtx s THR 80 CO -0.01 0.47 0.03 -0.76 -0.69 0.00 0.00 174.62 173.66 2vtx s LEU 81 N 1.01 2.00 -0.29 4.42 1.43 -0.25 -4.95 118.68 122.05 2vtx s LEU 81 Ca -0.00 -1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 51.69 2vtx s LEU 81 Cb -0.15 -0.12 0.15 0.00 0.03 0.00 0.00 46.19 46.10 2vtx s LEU 81 CO -0.01 -0.60 0.93 -0.75 0.23 0.00 0.00 176.35 176.15 2vtx s LYS 82 N -3.93 0.38 0.28 1.70 2.20 -0.87 -0.30 119.74 119.20 2vtx s LYS 82 Ca 0.30 0.80 0.02 0.00 -0.36 0.00 0.00 55.97 56.74 2vtx s LYS 82 Cb 0.07 0.31 0.69 0.00 -1.51 0.00 0.00 37.83 37.39 2vtx s LYS 82 CO 0.09 -0.10 1.68 -1.35 -0.36 0.00 0.00 175.35 175.31 2vtx h PRO 83 N 6.91 0.33 -0.29 4.03 0.11 -1.79 0.49 132.00 141.79 2vtx h PRO 83 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2vtx h PRO 83 Cb 1.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2vtx h PRO 83 CO 0.14 0.22 0.00 -1.13 -0.21 0.00 0.00 178.00 177.01 2vtx n SER 84 N -5.10 2.74 0.02 -2.05 3.41 -1.26 -4.26 113.62 107.11 2vtx n SER 84 Ca 0.21 -1.89 -0.02 0.00 -0.26 0.00 0.00 58.87 56.92 2vtx n SER 84 Cb 0.64 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.03 0.80 -3.30 -1.33 2.08 -0.18 -5.04 119.36 113.42 2vtx n ILE 85 Ca 0.18 0.21 -0.09 0.00 0.56 0.00 0.00 62.75 63.61 2vtx n ILE 85 Cb 0.50 -1.61 -0.05 0.00 -0.75 0.00 0.00 39.64 37.73 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 -6.69 -0.76 -0.02 1.39 2.96 0.15 -4.96 118.68 110.76 2vtx s LEU 86 Ca -0.03 -0.73 0.16 0.00 -0.22 0.00 0.00 54.13 53.31 2vtx s LEU 86 Cb 0.01 1.15 0.50 0.00 0.50 0.00 0.00 46.19 48.34 2vtx s LEU 86 CO 0.04 -0.30 1.40 -0.81 -1.32 0.00 0.00 176.35 175.36 2vtx n PRO 87 N 4.92 2.46 -3.75 0.98 -0.04 -1.25 -2.06 135.00 136.25 2vtx n PRO 87 Ca 0.05 -2.00 -0.06 0.00 -0.04 0.00 0.00 63.50 61.45 2vtx n PRO 87 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.40 1.45 -0.01 0.54 0.23 -1.26 -2.16 119.30 116.69 2vtx s MET 88 Ca 0.37 -0.76 -0.16 0.00 -1.03 0.00 0.00 55.69 54.11 2vtx s MET 88 Cb 0.20 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 34.04 2vtx s MET 88 CO 0.23 -0.66 0.33 0.00 -2.03 0.00 0.00 175.02 172.89 2vtx s ALA 89 N -3.61 -0.83 -0.18 3.16 0.00 -0.71 -5.01 121.76 114.59 2vtx s ALA 89 Ca 0.10 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 2vtx s ALA 89 Cb -0.03 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2vtx s ALA 89 CO 0.02 -0.28 0.27 0.99 0.00 0.00 0.00 175.76 176.76 2vtx s THR 90 N -1.45 5.31 -0.13 0.00 2.01 -1.26 -1.46 115.64 118.66 2vtx s THR 90 Ca -0.13 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 2vtx s THR 90 Cb -0.04 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2vtx s THR 90 CO 0.04 0.38 0.23 -0.04 -0.69 0.00 0.00 174.62 174.53 2vtx s MET 91 N 0.59 3.89 -0.07 4.92 -1.94 0.56 -4.96 119.30 122.30 2vtx s MET 91 Ca 0.15 0.01 0.02 0.00 -1.71 0.00 0.00 55.69 54.16 2vtx s MET 91 Cb -0.13 -3.30 0.02 0.00 2.01 0.00 0.00 34.83 33.42 2vtx s MET 91 CO 0.04 0.52 -0.11 0.08 -0.01 0.00 0.00 175.02 175.54 2vtx s VAL 92 N -0.36 1.06 0.00 -6.03 1.01 -1.26 -4.42 120.40 110.41 2vtx s VAL 92 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2vtx s VAL 92 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2vtx s VAL 92 CO 0.04 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2vtx n GLY 93 N 3.94 1.01 3.45 4.51 0.00 -1.26 -4.97 105.19 111.88 2vtx n GLY 93 Ca -0.22 0.00 -0.43 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 -3.76 4.50 -0.21 -0.61 1.01 -1.26 -5.00 121.20 115.88 2vtx s ILE 94 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2vtx s ILE 94 Cb 0.00 -4.56 -0.00 0.00 0.01 0.00 0.00 42.46 37.91 2vtx s ILE 94 CO 0.00 -1.23 -0.09 -1.61 0.00 0.00 0.00 174.94 172.02 2vtx s GLU 95 N 3.60 3.27 -0.04 2.79 2.02 -1.25 -1.14 118.70 127.94 2vtx s GLU 95 Ca 0.21 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2vtx s GLU 95 Cb -0.17 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 2vtx s GLU 95 CO 0.12 -0.20 -0.25 -0.51 0.02 0.00 0.00 175.26 174.44 2vtx s LEU 96 N 1.43 2.08 -0.17 1.80 1.43 0.38 -4.92 118.68 120.71 2vtx s LEU 96 Ca 0.06 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 2vtx s LEU 96 Cb -0.14 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 2vtx s LEU 96 CO -0.06 0.28 0.82 -1.81 0.23 0.00 0.00 176.35 175.81 2vtx s ASP 97 N -0.39 6.95 0.73 2.29 1.01 -1.26 0.14 116.67 126.13 2vtx s ASP 97 Ca 0.03 1.16 -0.16 0.00 0.71 0.00 0.00 52.55 54.30 2vtx s ASP 97 Cb -0.12 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.38 2vtx s ASP 97 CO 0.01 -0.38 1.05 -2.65 0.21 0.00 0.00 175.17 173.42 2vtx n PRO 98 N 5.16 0.51 -2.17 8.23 -0.02 -1.26 -4.21 135.00 141.24 2vtx n PRO 98 Ca 0.04 0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 2vtx n PRO 98 Cb 0.49 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2vtx n PRO 98 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2vtx s PRO 99 N -3.51 3.54 -0.06 0.52 0.04 -1.26 -4.89 135.00 129.38 2vtx s PRO 99 Ca 0.74 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2vtx s PRO 99 Cb -0.34 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.16 2vtx s PRO 99 CO 0.49 -0.62 0.27 0.14 0.04 0.00 0.00 177.00 177.32 2vtx s VAL 100 N -2.52 0.03 0.04 -0.36 -7.23 -1.11 -4.87 120.40 104.38 2vtx s VAL 100 Ca 0.62 -0.27 0.05 0.00 -1.81 0.00 0.00 61.98 60.57 2vtx s VAL 100 Cb -0.14 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 2vtx s VAL 100 CO 0.35 -0.15 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.01 2vtx s THR 101 N -0.59 3.42 -0.21 5.32 2.01 -1.03 -1.74 115.64 122.81 2vtx s THR 101 Ca -0.07 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 2vtx s THR 101 Cb -0.04 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 2vtx s THR 101 CO 0.02 0.31 0.03 -0.36 -0.69 0.00 0.00 174.62 173.94 2vtx s PHE 102 N -1.04 3.10 -0.08 4.92 0.40 -0.45 0.31 117.98 125.15 2vtx s PHE 102 Ca 0.18 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2vtx s PHE 102 Cb -0.11 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 2vtx s PHE 102 CO 0.09 -0.16 -0.21 0.50 0.70 0.00 0.00 175.22 176.14 2vtx s ARG 103 N 0.97 2.79 -1.15 0.44 3.52 0.30 -2.86 118.95 122.97 2vtx s ARG 103 Ca 0.03 -0.82 -0.19 0.00 -0.13 0.00 0.00 55.73 54.61 2vtx s ARG 103 Cb -0.14 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 2vtx s ARG 103 CO 0.02 0.36 1.96 -0.11 -0.81 0.00 0.00 175.30 176.72 2vtx n LEU 104 N 3.04 4.70 -0.35 -0.88 7.94 -0.49 0.48 117.00 131.43 2vtx n LEU 104 Ca -0.18 -3.48 0.16 0.00 -1.11 0.00 0.00 56.01 51.40 2vtx n LEU 104 Cb 0.52 -1.53 0.36 0.00 0.53 0.00 0.00 43.42 43.30 2vtx n LEU 104 CO 0.27 -0.25 1.18 0.50 -1.11 0.00 0.00 177.39 177.98 2vtx h LYS 105 N 7.80 0.64 -3.30 1.96 3.64 -1.64 -3.43 116.57 122.24 2vtx h LYS 105 Ca 0.42 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.59 2vtx h LYS 105 Cb 0.77 -0.14 -0.25 0.00 -0.41 0.00 0.00 32.23 32.20 2vtx h LYS 105 CO 1.66 0.42 -0.48 0.00 -2.27 0.00 0.00 179.45 178.78 2vtx s ALA 106 N -5.79 -0.47 0.00 5.00 0.00 -1.17 -4.91 121.76 114.41 2vtx s ALA 106 Ca -0.11 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2vtx s ALA 106 Cb 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2vtx s ALA 106 CO 0.80 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.85 2vtx n GLY 107 N 2.61 2.56 0.08 0.00 0.00 -1.23 -1.72 105.19 107.49 2vtx n GLY 107 Ca -0.15 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 -4.08 1.61 4.64 -1.91 -3.42 113.55 110.39 2vtx h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vtx h SER 108 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vtx h SER 108 CO 0.00 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 2vtx n GLY 109 N 1.41 -2.27 3.73 -0.77 0.00 -1.26 -1.84 105.19 104.20 2vtx n GLY 109 Ca -0.07 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.53 4.17 -0.08 1.61 0.02 -1.26 -4.07 135.00 134.86 2vtx s PRO 110 Ca 0.00 2.48 0.03 0.00 0.02 0.00 0.00 61.00 63.53 2vtx s PRO 110 Cb 0.00 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.44 2vtx s PRO 110 CO 0.00 -0.61 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.71 2vtx s LEU 111 N 0.29 1.88 -0.11 -5.54 0.20 -0.19 -1.20 118.68 114.01 2vtx s LEU 111 Ca 0.67 -0.43 -0.03 0.00 0.69 0.00 0.00 54.13 55.02 2vtx s LEU 111 Cb -0.46 -1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2vtx s LEU 111 CO 0.39 0.10 -0.01 -0.31 -0.29 0.00 0.00 176.35 176.24 2vtx s TYR 112 N 0.48 3.12 -0.01 5.38 1.51 0.27 -0.98 117.35 127.12 2vtx s TYR 112 Ca -0.17 0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 2vtx s TYR 112 Cb -0.17 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2vtx s TYR 112 CO 0.06 0.31 -0.15 0.42 -1.11 0.00 0.00 175.55 175.08 2vtx s ILE 113 N -0.44 3.02 0.26 2.71 1.01 -1.02 -1.44 121.20 125.29 2vtx s ILE 113 Ca 0.08 -0.91 0.11 0.00 0.00 0.00 0.00 60.65 59.92 2vtx s ILE 113 Cb -0.12 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2vtx s ILE 113 CO 0.02 0.47 -0.18 -0.94 0.00 0.00 0.00 174.94 174.31 2vtx s SER 114 N -1.09 3.31 0.24 3.58 1.04 0.05 -2.36 113.70 118.47 2vtx s SER 114 Ca 0.13 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.33 2vtx s SER 114 Cb -0.11 -0.25 0.07 0.00 0.10 0.00 0.00 66.02 65.83 2vtx s SER 114 CO 0.03 -0.02 0.95 -0.83 0.98 0.00 0.00 173.24 174.35 2vtx s GLY 115 N -3.46 0.13 -0.14 7.32 0.00 0.10 -1.43 107.32 109.85 2vtx s GLY 115 Ca 0.28 -0.39 -0.07 0.00 0.00 0.00 0.00 44.72 44.54 2vtx s GLY 115 CO 0.13 1.29 0.33 1.20 0.00 0.00 0.00 173.10 176.05 2vtx s GLN 116 N -2.41 0.30 0.24 2.90 -0.21 -0.13 -0.86 119.66 119.49 2vtx s GLN 116 Ca 0.18 0.68 -0.31 0.00 0.02 0.00 0.00 55.36 55.94 2vtx s GLN 116 Cb -0.03 -0.06 -0.11 0.00 1.00 0.00 0.00 33.01 33.81 2vtx s GLN 116 CO 0.07 -0.17 1.57 -1.01 -2.12 0.00 0.00 175.29 173.63 2vtx s HIS 117 N 1.41 2.91 -1.60 0.91 3.76 -1.07 -1.62 115.29 120.00 2vtx s HIS 117 Ca -0.09 0.74 0.13 0.00 -0.15 0.00 0.00 55.06 55.69 2vtx s HIS 117 Cb -0.10 -3.99 0.10 0.00 1.11 0.00 0.00 32.58 29.71 2vtx s HIS 117 CO -0.11 -3.45 0.90 1.33 -0.85 0.00 0.00 174.74 172.57