#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0p n ALA 1 N 0.00 0.73 -1.76 0.00 0.00 -1.26 -4.89 120.51 113.33 1j0p n ALA 1 Ca 0.00 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 1j0p n ALA 1 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.29 1j0p n ALA 1 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j0p s PRO 2 N -1.64 3.45 0.03 0.00 0.04 -1.26 -5.02 135.00 130.60 1j0p s PRO 2 Ca 0.58 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.56 1j0p s PRO 2 Cb -0.62 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1j0p s PRO 2 CO 0.60 -0.85 0.05 0.15 0.04 0.00 0.00 177.00 176.99 1j0p s LYS 3 N -2.86 2.87 0.50 4.56 1.02 -1.26 -5.10 119.74 119.48 1j0p s LYS 3 Ca 0.68 -0.62 -0.22 0.00 0.02 0.00 0.00 55.97 55.83 1j0p s LYS 3 Cb -0.33 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 1j0p s LYS 3 CO 0.39 0.60 1.23 0.00 -0.92 0.00 0.00 175.35 176.65 1j0p s ALA 4 N -1.23 2.87 0.89 5.17 0.00 -1.26 -5.03 121.76 123.18 1j0p s ALA 4 Ca 0.24 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 1j0p s ALA 4 Cb -0.12 -3.45 0.17 0.00 0.00 0.00 0.00 23.12 19.73 1j0p s ALA 4 CO 0.16 -0.94 1.24 -1.25 0.00 0.00 0.00 175.76 174.97 1j0p s PRO 5 N -2.85 1.00 0.77 0.00 0.04 -1.26 -5.03 135.00 127.67 1j0p s PRO 5 Ca 0.68 -0.50 -0.14 0.00 0.04 0.00 0.00 61.00 61.08 1j0p s PRO 5 Cb -0.32 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.32 1j0p s PRO 5 CO 0.38 -2.12 1.23 0.00 0.04 0.00 0.00 177.00 176.53 1j0p s ALA 6 N -3.70 1.94 1.05 8.56 0.00 -1.26 -4.71 121.76 123.64 1j0p s ALA 6 Ca 0.71 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.49 1j0p s ALA 6 Cb -0.05 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.78 1j0p s ALA 6 CO 0.51 -2.17 1.07 -0.51 0.00 0.00 0.00 175.76 174.66 1j0p s ASP 7 N -1.97 1.95 0.00 0.00 1.11 -1.26 -4.27 116.67 112.24 1j0p s ASP 7 Ca 0.76 1.62 0.00 0.00 0.18 0.00 0.00 52.55 55.10 1j0p s ASP 7 Cb -0.31 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1j0p s ASP 7 CO 0.48 -3.61 0.00 0.61 1.18 0.00 0.00 175.17 173.83 1j0p n GLY 8 N 0.15 0.52 3.67 0.21 0.00 -1.23 -5.01 105.19 103.50 1j0p n GLY 8 Ca 0.06 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1j0p n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j0p s LEU 9 N 0.00 4.23 -0.22 0.99 0.20 -0.99 -4.85 118.68 118.04 1j0p s LEU 9 Ca 0.00 1.81 -0.17 0.00 0.69 0.00 0.00 54.13 56.46 1j0p s LEU 9 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 1j0p s LEU 9 CO 0.00 -0.73 0.45 -0.75 -0.29 0.00 0.00 176.35 175.03 1j0p s LYS 10 N 3.11 4.14 -0.44 1.98 2.20 -1.26 -0.16 119.74 129.30 1j0p s LYS 10 Ca 0.57 0.26 -0.25 0.00 -0.36 0.00 0.00 55.97 56.19 1j0p s LYS 10 Cb -0.24 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1j0p s LYS 10 CO 0.19 -0.16 0.92 -1.64 -0.36 0.00 0.00 175.35 174.29 1j0p s MET 11 N 1.69 3.61 -0.14 4.03 -1.94 0.75 -4.91 119.30 122.38 1j0p s MET 11 Ca 0.20 0.25 0.23 0.00 -1.71 0.00 0.00 55.69 54.66 1j0p s MET 11 Cb -0.15 -3.89 0.47 0.00 2.01 0.00 0.00 34.83 33.26 1j0p s MET 11 CO 0.09 -1.14 1.15 -0.40 -0.01 0.00 0.00 175.02 174.70 1j0p n ASP 12 N 7.04 1.50 0.24 3.03 5.68 -1.26 -1.12 116.55 131.66 1j0p n ASP 12 Ca 0.06 -2.21 0.16 0.00 -0.50 0.00 0.00 54.79 52.30 1j0p n ASP 12 Cb 0.48 -0.39 0.62 0.00 -1.14 0.00 0.00 41.12 40.69 1j0p n ASP 12 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1j0p h LYS 13 N 1.78 0.00 -5.28 0.11 1.79 -1.95 -3.46 116.57 109.55 1j0p h LYS 13 Ca -0.14 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.72 1j0p h LYS 13 Cb 1.55 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 32.07 1j0p h LYS 13 CO 0.17 0.00 -0.55 0.95 -1.08 0.00 0.00 179.45 178.93 1j0p s THR 14 N -3.56 1.25 -2.06 -0.16 -4.23 -1.26 -5.04 115.64 100.59 1j0p s THR 14 Ca 0.02 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.70 1j0p s THR 14 Cb 0.09 -2.54 0.45 0.00 1.34 0.00 0.00 72.50 71.85 1j0p s THR 14 CO 0.51 0.00 1.60 0.29 -0.54 0.00 0.00 174.62 176.47 1j0p n LYS 15 N -1.00 1.17 -3.10 3.99 5.02 -1.26 -3.84 118.16 119.14 1j0p n LYS 15 Ca -0.09 -0.25 -0.28 0.00 -2.02 0.00 0.00 58.31 55.66 1j0p n LYS 15 Cb 0.66 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.34 1j0p n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1j0p n GLN 16 N -0.50 3.10 -1.30 1.97 1.13 -1.26 -5.10 117.38 115.41 1j0p n GLN 16 Ca 0.13 -4.79 -0.34 0.00 -1.94 0.00 0.00 57.00 50.07 1j0p n GLN 16 Cb 0.12 -2.26 0.11 0.00 0.11 0.00 0.00 30.24 28.31 1j0p n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1j0p s PRO 17 N -3.14 1.96 -0.02 -1.09 0.04 -1.25 -4.99 135.00 126.51 1j0p s PRO 17 Ca 0.45 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1j0p s PRO 17 Cb 0.23 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.95 1j0p s PRO 17 CO -0.09 -1.96 -0.04 0.08 0.04 0.00 0.00 177.00 175.04 1j0p s VAL 18 N -2.15 0.36 -0.12 -0.36 1.01 -0.27 -4.85 120.40 114.01 1j0p s VAL 18 Ca 0.72 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 1j0p s VAL 18 Cb -0.27 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1j0p s VAL 18 CO 0.48 0.14 0.49 -0.69 0.00 0.00 0.00 175.10 175.51 1j0p s VAL 19 N 0.34 5.18 -0.20 2.92 1.01 -1.26 -0.18 120.40 128.21 1j0p s VAL 19 Ca -0.04 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 62.87 1j0p s VAL 19 Cb -0.07 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1j0p s VAL 19 CO -0.00 0.31 -0.02 0.12 0.00 0.00 0.00 175.10 175.51 1j0p s PHE 20 N 0.73 3.01 -0.25 5.22 5.36 0.78 -4.94 117.98 127.88 1j0p s PHE 20 Ca 0.26 -0.56 -0.04 0.00 -0.96 0.00 0.00 56.93 55.63 1j0p s PHE 20 Cb -0.15 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 1j0p s PHE 20 CO 0.10 -0.29 -0.00 -0.80 -1.46 0.00 0.00 175.22 172.77 1j0p s ASN 21 N 1.03 4.60 0.43 6.13 0.01 -1.26 -2.36 114.94 123.52 1j0p s ASN 21 Ca 0.01 -0.58 0.13 0.00 -0.71 0.00 0.00 52.86 51.72 1j0p s ASN 21 Cb -0.14 -1.78 0.93 0.00 0.41 0.00 0.00 41.25 40.67 1j0p s ASN 21 CO 0.01 -0.09 1.96 0.45 -1.51 0.00 0.00 177.10 177.92 1j0p h HIS 22 N 8.13 0.04 0.00 2.20 3.86 -1.84 -3.13 115.15 124.42 1j0p h HIS 22 Ca -0.36 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.82 1j0p h HIS 22 Cb 1.14 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 1j0p h HIS 22 CO 0.60 0.24 -0.09 0.66 0.86 0.00 0.00 177.93 180.20 1j0p h SER 23 N 0.04 0.00 -0.10 2.45 4.64 -1.94 -1.14 113.55 117.51 1j0p h SER 23 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1j0p h SER 23 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1j0p h SER 23 CO 0.03 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.43 1j0p n THR 24 N -3.79 0.11 -1.57 2.95 -2.24 -1.18 -4.22 114.28 104.35 1j0p n THR 24 Ca -0.02 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1j0p n THR 24 Cb 0.19 0.51 0.16 0.00 -2.10 0.00 0.00 70.33 69.09 1j0p n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1j0p n HIS 25 N 0.35 0.00 0.26 4.78 8.25 -0.43 -4.79 115.22 123.64 1j0p n HIS 25 Ca 0.18 -1.17 0.15 0.00 -0.26 0.00 0.00 57.72 56.61 1j0p n HIS 25 Cb 0.37 -0.20 0.46 0.00 1.12 0.00 0.00 29.99 31.74 1j0p n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1j0p h LYS 26 N 0.66 0.00 -0.01 -0.41 1.57 -1.73 -3.08 116.57 113.58 1j0p h LYS 26 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1j0p h LYS 26 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1j0p h LYS 26 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1j0p n ALA 27 N -2.09 2.65 -2.78 3.86 0.00 -1.26 -4.65 120.51 116.24 1j0p n ALA 27 Ca 0.02 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 1j0p n ALA 27 Cb 0.40 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 1j0p n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1j0p s VAL 28 N -1.99 4.81 0.32 0.00 1.01 -1.16 -5.10 120.40 118.29 1j0p s VAL 28 Ca 0.43 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1j0p s VAL 28 Cb 0.21 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 33.04 1j0p s VAL 28 CO 0.34 0.11 0.99 2.29 0.00 0.00 0.00 175.10 178.83 1j0p n LYS 29 N 5.01 1.33 -0.34 2.72 2.85 -1.26 -4.90 118.16 123.57 1j0p n LYS 29 Ca -0.14 0.47 0.07 0.00 -1.05 0.00 0.00 58.31 57.66 1j0p n LYS 29 Cb 0.50 -1.87 0.23 0.00 -0.65 0.00 0.00 35.03 33.23 1j0p n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1j0p n GLY 31 N -1.34 -0.91 0.21 0.00 0.00 -1.26 -1.22 105.19 100.67 1j0p n GLY 31 Ca 0.18 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.24 1j0p n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j0p h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.52 -3.28 116.42 118.42 1j0p h ASP 32 Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 1j0p h ASP 32 Cb 0.16 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 1j0p h ASP 32 CO 0.00 0.00 -1.13 0.00 -3.12 0.00 0.00 179.24 174.99 1j0p n HIS 34 N -3.58 3.48 -2.22 0.00 8.25 -0.36 -4.95 115.22 115.84 1j0p n HIS 34 Ca -0.14 -2.92 -0.27 0.00 -0.26 0.00 0.00 57.72 54.12 1j0p n HIS 34 Cb 0.48 -2.35 0.05 0.00 1.12 0.00 0.00 29.99 29.29 1j0p n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1j0p s HIS 35 N 2.28 3.17 0.31 4.41 -0.00 -1.24 -3.17 115.29 121.06 1j0p s HIS 35 Ca 0.45 0.68 -0.29 0.00 -0.00 0.00 0.00 55.06 55.89 1j0p s HIS 35 Cb 0.11 -2.96 -0.12 0.00 -0.00 0.00 0.00 32.58 29.61 1j0p s HIS 35 CO -0.04 -1.09 1.50 -2.30 -0.00 0.00 0.00 174.74 172.80 1j0p n PRO 36 N -2.79 2.51 -3.86 -0.38 -0.02 -1.26 -1.43 135.00 127.77 1j0p n PRO 36 Ca 0.06 0.89 -0.19 0.00 -2.02 0.00 0.00 63.50 62.23 1j0p n PRO 36 Cb 0.58 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 1j0p n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j0p s VAL 37 N -0.44 0.21 -1.32 -1.45 1.01 -0.20 -4.73 120.40 113.48 1j0p s VAL 37 Ca 0.61 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 1j0p s VAL 37 Cb -0.53 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.56 1j0p s VAL 37 CO 0.54 0.19 0.48 0.59 0.00 0.00 0.00 175.10 176.91 1j0p n ASN 38 N 4.61 -4.22 0.00 3.32 3.02 -1.26 -1.44 115.26 119.28 1j0p n ASN 38 Ca -0.17 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1j0p n ASN 38 Cb 0.50 -3.48 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 1j0p n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j0p n GLY 39 N -1.22 0.59 3.15 7.41 0.00 -1.26 -5.00 105.19 108.85 1j0p n GLY 39 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1j0p n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j0p s LYS 40 N -0.29 2.81 0.17 1.61 1.02 -0.52 -4.94 119.74 119.60 1j0p s LYS 40 Ca 0.00 -0.78 -0.32 0.00 0.02 0.00 0.00 55.97 54.89 1j0p s LYS 40 Cb 0.00 -2.27 -0.11 0.00 -0.52 0.00 0.00 37.83 34.93 1j0p s LYS 40 CO 0.00 0.00 1.78 0.39 -0.92 0.00 0.00 175.35 176.60 1j0p n GLU 41 N 4.02 2.80 -3.96 1.68 1.02 -1.26 -1.03 120.64 123.91 1j0p n GLU 41 Ca -0.20 1.02 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 1j0p n GLU 41 Cb 0.52 -2.89 -0.13 0.00 -0.02 0.00 0.00 31.44 28.92 1j0p n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1j0p s ASP 42 N 1.92 4.90 -0.01 1.62 -1.08 -0.52 -4.91 116.67 118.59 1j0p s ASP 42 Ca 0.78 -0.21 0.22 0.00 -0.52 0.00 0.00 52.55 52.82 1j0p s ASP 42 Cb -0.49 -1.85 0.65 0.00 -1.46 0.00 0.00 42.92 39.77 1j0p s ASP 42 CO 0.34 0.03 1.54 0.18 0.52 0.00 0.00 175.17 177.79 1j0p n LEU 43 N 4.47 3.98 -4.76 -1.34 4.77 -1.26 -4.01 117.00 118.86 1j0p n LEU 43 Ca -0.17 -1.99 -0.31 0.00 -0.03 0.00 0.00 56.01 53.51 1j0p n LEU 43 Cb 0.52 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1j0p n LEU 43 CO 0.31 0.96 0.69 -1.10 -1.33 0.00 0.00 177.39 176.92 1j0p s GLN 44 N -1.11 2.06 0.47 3.23 -0.21 -1.26 -4.96 119.66 117.88 1j0p s GLN 44 Ca 0.49 1.10 -0.24 0.00 0.02 0.00 0.00 55.36 56.73 1j0p s GLN 44 Cb 0.26 -1.88 -0.08 0.00 1.00 0.00 0.00 33.01 32.31 1j0p s GLN 44 CO 0.32 -1.76 1.29 1.63 -2.12 0.00 0.00 175.29 174.65 1j0p n LYS 45 N -3.59 1.83 -0.12 2.91 5.02 -1.26 -4.87 118.16 118.08 1j0p n LYS 45 Ca 0.09 0.66 0.04 0.00 -2.02 0.00 0.00 58.31 57.08 1j0p n LYS 45 Cb 0.53 -2.45 0.36 0.00 -0.02 0.00 0.00 35.03 33.45 1j0p n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0p n ALA 47 N -2.45 3.14 -1.55 0.00 0.00 -1.26 -1.08 120.51 117.30 1j0p n ALA 47 Ca 0.07 -1.20 -0.40 0.00 0.00 0.00 0.00 53.44 51.90 1j0p n ALA 47 Cb 0.12 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.54 1j0p n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j0p n THR 48 N 0.63 2.42 -1.65 0.00 -1.04 -0.71 -4.30 114.28 109.62 1j0p n THR 48 Ca 0.19 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.05 61.24 1j0p n THR 48 Cb 0.76 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 1j0p n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j0p n ALA 49 N -0.94 0.83 -0.51 2.41 0.00 -1.26 -0.51 120.51 120.54 1j0p n ALA 49 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1j0p n ALA 49 Cb 0.41 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1j0p n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0p n GLY 50 N 2.53 1.24 0.00 0.00 0.00 -1.26 -4.98 105.19 102.73 1j0p n GLY 50 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1j0p n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0p n HIS 52 N 0.00 2.64 0.99 0.00 8.25 -0.24 -4.53 115.22 122.33 1j0p n HIS 52 Ca 0.00 -2.70 0.12 0.00 -0.26 0.00 0.00 57.72 54.88 1j0p n HIS 52 Cb 0.00 -1.61 0.14 0.00 1.12 0.00 0.00 29.99 29.64 1j0p n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1j0p n ASP 53 N 1.76 2.92 -4.60 0.41 5.75 -1.05 -4.16 116.55 117.59 1j0p n ASP 53 Ca 0.46 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.86 1j0p n ASP 53 Cb 0.29 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 1j0p n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1j0p s ASN 54 N -1.97 6.61 0.00 -1.12 2.47 -0.72 -4.89 114.94 115.32 1j0p s ASN 54 Ca 0.29 0.49 0.09 0.00 0.42 0.00 0.00 52.86 54.16 1j0p s ASN 54 Cb 0.20 -2.41 0.28 0.00 -1.45 0.00 0.00 41.25 37.87 1j0p s ASN 54 CO 0.30 -0.71 1.23 0.23 -3.72 0.00 0.00 177.10 174.43 1j0p n MET 55 N 6.41 1.68 -2.38 0.43 2.81 -1.26 -1.73 117.12 123.07 1j0p n MET 55 Ca 0.04 -1.05 -0.42 0.00 -1.81 0.00 0.00 57.70 54.46 1j0p n MET 55 Cb 0.48 -1.23 -0.02 0.00 -0.71 0.00 0.00 33.22 31.73 1j0p n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1j0p s ASP 56 N -1.02 6.17 0.00 7.83 2.15 -1.26 -4.89 116.67 125.65 1j0p s ASP 56 Ca 0.20 0.44 0.12 0.00 0.43 0.00 0.00 52.55 53.74 1j0p s ASP 56 Cb 0.10 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.69 1j0p s ASP 56 CO 0.14 -1.64 1.38 2.29 -0.17 0.00 0.00 175.17 177.17 1j0p n LYS 57 N 8.50 0.00 0.11 4.34 2.85 -1.26 -1.69 118.16 131.02 1j0p n LYS 57 Ca 0.14 0.29 0.12 0.00 -1.05 0.00 0.00 58.31 57.81 1j0p n LYS 57 Cb 0.49 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.56 1j0p n LYS 57 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1j0p h LYS 58 N 0.00 0.00 -6.36 -1.58 1.79 -1.96 -3.43 116.57 105.03 1j0p h LYS 58 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1j0p h LYS 58 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1j0p h LYS 58 CO 0.00 0.00 0.73 0.34 -1.08 0.00 0.00 179.45 179.44 1j0p s ASP 59 N -4.93 6.98 0.00 0.86 2.15 -0.68 -4.90 116.67 116.15 1j0p s ASP 59 Ca 0.06 1.96 0.12 0.00 0.43 0.00 0.00 52.55 55.11 1j0p s ASP 59 Cb 0.11 -2.56 0.31 0.00 -0.30 0.00 0.00 42.92 40.47 1j0p s ASP 59 CO 0.69 -0.62 1.24 0.29 -0.17 0.00 0.00 175.17 176.61 1j0p n LYS 60 N 5.05 2.68 -1.22 4.34 5.02 -1.26 -4.31 118.16 128.45 1j0p n LYS 60 Ca 0.11 -2.02 -0.29 0.00 -2.02 0.00 0.00 58.31 54.09 1j0p n LYS 60 Cb 0.45 -1.28 0.15 0.00 -0.02 0.00 0.00 35.03 34.33 1j0p n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1j0p s SER 61 N -1.00 3.14 0.46 4.39 1.04 -1.26 -4.92 113.70 115.55 1j0p s SER 61 Ca 0.24 1.33 0.13 0.00 0.48 0.00 0.00 55.95 58.13 1j0p s SER 61 Cb 0.13 -2.00 1.07 0.00 0.10 0.00 0.00 66.02 65.32 1j0p s SER 61 CO 0.17 -2.82 2.05 0.00 0.98 0.00 0.00 173.24 173.62 1j0p h ALA 62 N -1.68 1.95 0.00 5.32 0.00 -1.98 -1.46 119.26 121.41 1j0p h ALA 62 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1j0p h ALA 62 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j0p h ALA 62 CO 0.56 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 180.16 1j0p n LYS 63 N -4.48 0.01 -2.15 0.00 2.85 -1.26 -4.73 118.16 108.40 1j0p n LYS 63 Ca 0.04 0.20 -0.43 0.00 -1.05 0.00 0.00 58.31 57.08 1j0p n LYS 63 Cb 0.21 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.05 1j0p n LYS 63 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1j0p s GLY 64 N -3.02 1.44 0.05 2.58 0.00 -0.55 -1.75 107.32 106.07 1j0p s GLY 64 Ca 0.08 0.65 -0.23 0.00 0.00 0.00 0.00 44.72 45.22 1j0p s GLY 64 CO 0.33 2.90 1.52 -1.82 0.00 0.00 0.00 173.10 176.02 1j0p h TYR 65 N 9.65 0.09 -0.39 1.90 5.03 -1.50 -0.91 116.97 130.84 1j0p h TYR 65 Ca -0.34 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.01 1j0p h TYR 65 Cb 1.15 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.36 1j0p h TYR 65 CO 0.88 0.30 0.12 -0.92 -1.32 0.00 0.00 178.16 177.22 1j0p h TYR 66 N -0.15 0.22 -0.56 -3.82 5.03 -1.85 -2.24 116.97 113.59 1j0p h TYR 66 Ca 0.02 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.45 1j0p h TYR 66 Cb 0.26 -0.04 -0.08 0.00 1.55 0.00 0.00 36.73 38.42 1j0p h TYR 66 CO 0.01 0.07 0.13 1.25 -1.32 0.00 0.00 178.16 178.31 1j0p h HIS 67 N 0.27 0.21 0.00 -3.82 2.76 -1.69 -1.03 115.15 111.85 1j0p h HIS 67 Ca 0.18 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1j0p h HIS 67 Cb 0.18 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 1j0p h HIS 67 CO -0.16 -0.00 -0.10 0.00 -1.30 0.00 0.00 177.93 176.37 1j0p h ALA 68 N 1.44 1.25 0.00 5.26 0.00 -0.59 -1.97 119.26 124.64 1j0p h ALA 68 Ca 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1j0p h ALA 68 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j0p h ALA 68 CO -0.36 0.13 -1.64 -1.33 0.00 0.00 0.00 179.25 176.05 1j0p n MET 69 N -3.56 0.64 -0.00 0.00 2.81 -0.73 -4.32 117.12 111.96 1j0p n MET 69 Ca -0.02 -0.02 0.01 0.00 -1.81 0.00 0.00 57.70 55.86 1j0p n MET 69 Cb 0.23 -1.66 -0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1j0p n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1j0p n HIS 70 N -2.53 0.00 -3.65 2.03 -0.00 -0.47 -1.94 115.22 108.66 1j0p n HIS 70 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.38 1j0p n HIS 70 Cb 0.66 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 30.59 1j0p n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1j0p s ASP 71 N -2.18 6.39 0.57 0.41 1.01 -0.76 -4.39 116.67 117.71 1j0p s ASP 71 Ca -0.00 0.43 -0.04 0.00 0.71 0.00 0.00 52.55 53.64 1j0p s ASP 71 Cb 0.01 -2.02 0.02 0.00 1.01 0.00 0.00 42.92 41.93 1j0p s ASP 71 CO 0.05 -0.07 0.86 -0.54 0.21 0.00 0.00 175.17 175.68 1j0p s LYS 72 N -3.40 2.82 -0.39 8.23 1.02 -1.26 -4.27 119.74 122.49 1j0p s LYS 72 Ca 0.39 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.17 1j0p s LYS 72 Cb -0.11 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1j0p s LYS 72 CO 0.29 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1j0p n GLY 73 N -2.50 0.67 3.92 -3.33 0.00 -1.26 -5.01 105.19 97.67 1j0p n GLY 73 Ca 0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1j0p n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j0p s THR 74 N -2.12 5.08 0.34 2.61 -4.23 -1.26 -5.00 115.64 111.06 1j0p s THR 74 Ca 0.00 -0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.43 1j0p s THR 74 Cb 0.00 -3.77 0.11 0.00 1.34 0.00 0.00 72.50 70.19 1j0p s THR 74 CO 0.00 -0.37 1.83 0.50 -0.54 0.00 0.00 174.62 176.04 1j0p h LYS 75 N 1.47 0.29 -6.57 3.99 3.64 -1.98 -3.39 116.57 114.03 1j0p h LYS 75 Ca -0.48 -0.09 -0.67 0.00 -1.27 0.00 0.00 60.65 58.14 1j0p h LYS 75 Cb 1.20 -0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.81 1j0p h LYS 75 CO 0.65 0.49 -0.76 -0.06 -2.27 0.00 0.00 179.45 177.50 1j0p s PHE 76 N -4.56 2.67 0.31 1.91 0.08 -1.26 -5.10 117.98 112.03 1j0p s PHE 76 Ca -0.06 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 1j0p s PHE 76 Cb 0.15 -1.44 -0.11 0.00 -0.57 0.00 0.00 43.02 41.06 1j0p s PHE 76 CO 0.75 0.38 1.45 0.15 -0.10 0.00 0.00 175.22 177.85 1j0p s LYS 77 N -1.98 4.22 0.66 0.44 -0.14 -1.26 -4.99 119.74 116.69 1j0p s LYS 77 Ca 0.19 2.41 -0.06 0.00 -1.36 0.00 0.00 55.97 57.14 1j0p s LYS 77 Cb -0.11 -3.04 0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1j0p s LYS 77 CO 0.11 -0.43 0.97 -1.54 -0.76 0.00 0.00 175.35 173.70 1j0p s SER 78 N 0.03 5.14 0.14 2.83 1.04 -1.26 -4.87 113.70 116.75 1j0p s SER 78 Ca 0.56 0.58 -0.28 0.00 0.48 0.00 0.00 55.95 57.29 1j0p s SER 78 Cb -0.44 -1.37 -0.03 0.00 0.10 0.00 0.00 66.02 64.28 1j0p s SER 78 CO 0.52 -1.38 1.59 0.00 0.98 0.00 0.00 173.24 174.95 1j0p h VAL 80 N -0.44 1.27 0.01 0.00 2.07 -1.64 -1.92 116.25 115.61 1j0p h VAL 80 Ca 0.09 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1j0p h VAL 80 Cb 0.60 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1j0p h VAL 80 CO -0.42 0.46 -0.10 1.23 0.02 0.00 0.00 177.57 178.75 1j0p h GLY 81 N 0.81 -0.13 1.01 2.17 0.00 -1.68 0.17 103.07 105.42 1j0p h GLY 81 Ca 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1j0p h GLY 81 CO 0.06 -0.11 0.42 0.00 0.00 0.00 0.00 176.54 176.91 1j0p h HIS 83 N 1.08 0.63 -0.36 0.00 3.86 -0.81 -0.59 115.15 118.95 1j0p h HIS 83 Ca 0.27 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1j0p h HIS 83 Cb 0.04 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1j0p h HIS 83 CO 0.00 0.59 0.21 -0.07 0.86 0.00 0.00 177.93 179.52 1j0p h LEU 84 N 0.58 0.35 -0.90 2.43 3.38 -0.37 0.14 115.31 120.92 1j0p h LEU 84 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1j0p h LEU 84 Cb 0.33 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1j0p h LEU 84 CO 0.01 0.25 0.21 -0.33 0.09 0.00 0.00 178.44 178.67 1j0p h GLU 85 N 0.43 1.02 -0.37 1.13 5.08 -1.05 -2.00 114.58 118.82 1j0p h GLU 85 Ca 0.14 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1j0p h GLU 85 Cb 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1j0p h GLU 85 CO -0.06 0.87 0.08 1.15 -1.00 0.00 0.00 179.01 180.05 1j0p h THR 86 N 0.99 1.23 -0.04 1.13 2.02 -0.69 -3.15 112.91 114.39 1j0p h THR 86 Ca 0.22 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1j0p h THR 86 Cb 0.28 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1j0p h THR 86 CO -0.01 0.27 -0.62 0.00 0.37 0.00 0.00 175.52 175.53 1j0p h ALA 87 N 0.93 0.89 -0.83 6.16 0.00 -0.85 -3.48 119.26 122.07 1j0p h ALA 87 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1j0p h ALA 87 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j0p h ALA 87 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1j0p n GLY 88 N 0.27 3.39 0.73 0.00 0.00 -0.76 -1.56 105.19 107.27 1j0p n GLY 88 Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1j0p n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0p n ALA 89 N 10.97 2.49 -2.60 4.61 0.00 -1.26 -4.88 120.51 129.84 1j0p n ALA 89 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 1j0p n ALA 89 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1j0p n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j0p s ASP 90 N -1.51 6.48 0.29 0.00 3.68 -0.60 -4.90 116.67 120.10 1j0p s ASP 90 Ca 0.33 0.10 -0.01 0.00 2.13 0.00 0.00 52.55 55.10 1j0p s ASP 90 Cb 0.19 -2.52 0.41 0.00 -1.45 0.00 0.00 42.92 39.55 1j0p s ASP 90 CO 0.27 -1.32 1.86 0.00 0.13 0.00 0.00 175.17 176.11 1j0p h ALA 91 N 9.37 1.26 -0.34 3.66 0.00 -1.89 0.10 119.26 131.42 1j0p h ALA 91 Ca -0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1j0p h ALA 91 Cb 1.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1j0p h ALA 91 CO 1.13 0.54 0.18 0.00 0.00 0.00 0.00 179.25 181.10 1j0p h ALA 92 N 1.38 0.43 -0.11 0.00 0.00 -1.96 -0.96 119.26 118.04 1j0p h ALA 92 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1j0p h ALA 92 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1j0p h ALA 92 CO -0.02 -0.03 -0.31 0.87 0.00 0.00 0.00 179.25 179.76 1j0p h LYS 93 N 0.42 0.21 -0.43 0.00 1.79 -1.79 -0.88 116.57 115.89 1j0p h LYS 93 Ca 0.12 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1j0p h LYS 93 Cb 0.08 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1j0p h LYS 93 CO -0.02 0.51 0.23 0.87 -1.08 0.00 0.00 179.45 179.96 1j0p h LYS 94 N 0.19 0.60 0.12 3.15 1.57 -0.50 0.76 116.57 122.45 1j0p h LYS 94 Ca 0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1j0p h LYS 94 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1j0p h LYS 94 CO 0.05 0.49 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.14 1j0p h LYS 95 N 0.56 -0.15 -0.80 3.15 1.63 -0.87 0.14 116.57 120.21 1j0p h LYS 95 Ca 0.15 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1j0p h LYS 95 Cb 0.07 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1j0p h LYS 95 CO -0.02 -0.02 0.41 1.49 -3.45 0.00 0.00 179.45 177.85 1j0p h GLU 96 N -0.25 1.14 0.00 1.90 4.81 -1.01 -2.37 114.58 118.80 1j0p h GLU 96 Ca -0.02 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1j0p h GLU 96 Cb 0.20 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1j0p h GLU 96 CO 0.03 0.87 -1.67 1.28 -0.73 0.00 0.00 179.01 178.78 1j0p n LEU 97 N -4.37 0.13 0.00 1.64 4.77 0.25 -0.62 117.00 118.79 1j0p n LEU 97 Ca 0.08 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1j0p n LEU 97 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1j0p n LEU 97 CO 0.39 0.03 0.07 0.35 -1.33 0.00 0.00 177.39 176.90 1j0p n THR 98 N -2.02 0.00 -1.99 -5.08 -2.24 0.42 -4.85 114.28 98.52 1j0p n THR 98 Ca -0.02 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.08 1j0p n THR 98 Cb 0.44 1.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.88 1j0p n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j0p s GLY 99 N -0.31 2.85 0.42 3.38 0.00 -0.86 -4.91 107.32 107.89 1j0p s GLY 99 Ca 0.00 1.17 0.23 0.00 0.00 0.00 0.00 44.72 46.12 1j0p s GLY 99 CO 0.00 1.68 1.69 0.00 0.00 0.00 0.00 173.10 176.47 1j0p s LYS 101 N -3.35 0.77 -1.45 0.00 -2.85 -1.26 -4.76 119.74 106.84 1j0p s LYS 101 Ca 0.03 -1.05 -0.03 0.00 -1.00 0.00 0.00 55.97 53.92 1j0p s LYS 101 Cb 0.08 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1j0p s LYS 101 CO 0.66 -0.22 0.26 0.41 0.10 0.00 0.00 175.35 176.56 1j0p n GLY 102 N -0.01 -0.50 3.81 0.59 0.00 -0.20 -4.97 105.19 103.90 1j0p n GLY 102 Ca -0.15 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1j0p n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0p s SER 103 N -2.34 4.41 0.49 1.61 1.04 -0.35 -4.80 113.70 113.76 1j0p s SER 103 Ca 0.15 -1.30 0.28 0.00 0.48 0.00 0.00 55.95 55.56 1j0p s SER 103 Cb -0.07 0.13 1.17 0.00 0.10 0.00 0.00 66.02 67.35 1j0p s SER 103 CO 0.19 -0.84 1.93 0.11 0.98 0.00 0.00 173.24 175.61 1j0p h LYS 104 N 1.16 0.00 0.07 4.02 1.57 -1.12 -2.83 116.57 119.44 1j0p h LYS 104 Ca -0.41 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1j0p h LYS 104 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1j0p h LYS 104 CO 0.67 0.14 -0.03 0.00 -0.57 0.00 0.00 179.45 179.65 1j0p s HIS 106 N -2.08 3.66 -2.11 0.00 3.76 -1.21 -4.50 115.29 112.81 1j0p s HIS 106 Ca -0.05 -2.55 0.31 0.00 -0.15 0.00 0.00 55.06 52.61 1j0p s HIS 106 Cb -0.00 -3.44 1.72 0.00 1.11 0.00 0.00 32.58 31.96 1j0p s HIS 106 CO 0.19 -0.87 2.12 -1.13 -0.85 0.00 0.00 174.74 174.20