#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3s s ASP 2 N 0.00 3.73 -0.26 1.61 2.15 -1.26 -5.07 116.67 117.57 1j3s s ASP 2 Ca 0.00 -1.37 -0.05 0.00 0.43 0.00 0.00 52.55 51.56 1j3s s ASP 2 Cb 0.00 -0.36 -0.15 0.00 -0.30 0.00 0.00 42.92 42.12 1j3s s ASP 2 CO 0.00 -0.47 -0.28 0.52 -0.17 0.00 0.00 175.17 174.77 1j3s n VAL 3 N -0.95 1.48 0.32 1.11 0.31 -1.26 -3.79 118.33 115.55 1j3s n VAL 3 Ca -0.05 -0.48 0.09 0.00 -0.01 0.00 0.00 64.34 63.89 1j3s n VAL 3 Cb 0.67 -1.61 0.39 0.00 -0.91 0.00 0.00 33.84 32.38 1j3s n VAL 3 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1j3s n GLU 4 N -3.68 0.11 -0.10 5.55 0.00 -1.26 -2.37 120.64 118.89 1j3s n GLU 4 Ca -0.49 0.43 -0.16 0.00 0.00 0.00 0.00 57.16 56.95 1j3s n GLU 4 Cb 0.94 -1.74 -0.07 0.00 0.00 0.00 0.00 31.44 30.57 1j3s n GLU 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1j3s n LYS 5 N -1.95 0.52 0.04 5.31 5.02 -1.26 -3.49 118.16 122.36 1j3s n LYS 5 Ca 0.01 0.50 0.18 0.00 -2.02 0.00 0.00 58.31 56.98 1j3s n LYS 5 Cb 0.14 -1.68 0.67 0.00 -0.02 0.00 0.00 35.03 34.15 1j3s n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1j3s h GLY 6 N -1.00 0.03 0.70 0.72 0.00 -1.64 0.08 103.07 101.96 1j3s h GLY 6 Ca -0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1j3s h GLY 6 CO -0.15 0.00 -0.15 1.70 0.00 0.00 0.00 176.54 177.95 1j3s h LYS 7 N 0.02 0.31 0.00 4.80 3.64 -1.63 -2.60 116.57 121.11 1j3s h LYS 7 Ca 0.21 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1j3s h LYS 7 Cb 0.83 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1j3s h LYS 7 CO -0.01 0.73 0.00 0.87 -2.27 0.00 0.00 179.45 178.78 1j3s h LYS 8 N -0.10 0.00 0.19 1.90 1.79 -1.29 -2.60 116.57 116.45 1j3s h LYS 8 Ca 0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1j3s h LYS 8 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1j3s h LYS 8 CO 0.03 0.00 -0.09 0.82 -1.08 0.00 0.00 179.45 179.13 1j3s h ILE 9 N 0.00 0.00 -0.90 1.86 1.08 -0.82 -2.03 117.51 116.71 1j3s h ILE 9 Ca 0.00 -0.36 0.20 0.00 -0.39 0.00 0.00 64.86 64.32 1j3s h ILE 9 Cb 0.50 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.13 1j3s h ILE 9 CO 0.00 0.00 0.43 0.15 -0.69 0.00 0.00 178.15 178.04 1j3s h PHE 10 N -0.61 0.72 -0.81 1.37 3.04 -1.50 1.90 116.94 121.05 1j3s h PHE 10 Ca -0.03 0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.04 1j3s h PHE 10 Cb 0.19 -0.18 -0.07 0.00 2.56 0.00 0.00 35.95 38.46 1j3s h PHE 10 CO 0.04 0.03 0.48 0.82 -2.02 0.00 0.00 178.31 177.65 1j3s h ILE 11 N 0.48 0.97 -0.38 1.41 2.04 -1.51 0.11 117.51 120.65 1j3s h ILE 11 Ca 0.54 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 1j3s h ILE 11 Cb 0.96 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1j3s h ILE 11 CO -0.48 0.15 0.00 1.15 0.00 0.00 0.00 178.15 178.98 1j3s n MET 12 N -4.70 3.63 0.03 2.37 0.00 0.18 -3.93 117.12 114.69 1j3s n MET 12 Ca 0.12 -2.97 0.00 0.00 0.00 0.00 0.00 57.70 54.85 1j3s n MET 12 Cb 0.22 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.44 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1j3s n LYS 13 N -0.11 0.00 -0.85 3.17 3.00 0.59 -4.90 118.16 119.06 1j3s n LYS 13 Ca 0.24 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.59 1j3s n LYS 13 Cb 1.01 -0.41 0.06 0.00 0.00 0.00 0.00 35.03 35.69 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s n SER 15 N -0.19 0.02 -0.10 0.00 2.88 0.26 -1.15 113.62 115.34 1j3s n SER 15 Ca 0.08 -1.34 -0.15 0.00 -1.33 0.00 0.00 58.87 56.12 1j3s n SER 15 Cb 0.87 -0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.27 1j3s n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1j3s n GLN 16 N -0.82 0.54 0.15 -1.46 -0.06 -1.26 -4.38 117.38 110.09 1j3s n GLN 16 Ca 0.16 0.22 0.12 0.00 -2.00 0.00 0.00 57.00 55.50 1j3s n GLN 16 Cb 0.08 -1.43 0.22 0.00 -4.06 0.00 0.00 30.24 25.04 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s s HIS 18 N -3.19 2.78 -1.25 0.00 3.76 -0.30 0.91 115.29 118.00 1j3s s HIS 18 Ca 0.07 -2.96 -0.19 0.00 -0.15 0.00 0.00 55.06 51.83 1j3s s HIS 18 Cb 0.09 -2.28 0.06 0.00 1.11 0.00 0.00 32.58 31.55 1j3s s HIS 18 CO 0.67 -0.67 1.71 0.95 -0.85 0.00 0.00 174.74 176.55 1j3s s THR 19 N -0.63 4.05 -1.80 1.30 -4.23 -1.26 -4.30 115.64 108.77 1j3s s THR 19 Ca 0.23 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1j3s s THR 19 Cb -0.11 -5.13 0.00 0.00 1.34 0.00 0.00 72.50 68.60 1j3s s THR 19 CO -0.11 -1.94 0.89 1.33 -0.54 0.00 0.00 174.62 174.25 1j3s n VAL 20 N 6.57 0.00 -2.08 2.29 0.24 -1.26 -3.29 118.33 120.79 1j3s n VAL 20 Ca 0.46 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.79 1j3s n VAL 20 Cb 0.47 -0.10 0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1j3s n VAL 20 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1j3s n GLU 21 N -0.40 0.21 -0.13 7.34 0.28 -1.26 -4.75 120.64 121.94 1j3s n GLU 21 Ca 0.00 -1.65 -0.26 0.00 -0.16 0.00 0.00 57.16 55.09 1j3s n GLU 21 Cb 0.05 -0.47 -0.11 0.00 1.43 0.00 0.00 31.44 32.34 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1j3s n LYS 22 N -0.01 0.61 0.00 3.44 0.00 -1.21 -5.04 118.16 115.96 1j3s n LYS 22 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.61 1j3s n LYS 22 Cb 0.86 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 34.37 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 23 N 1.56 -0.19 2.29 3.14 0.00 -1.26 -4.83 105.19 105.89 1j3s n GLY 23 Ca -0.50 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1j3s n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3s n GLY 24 N 0.00 1.02 3.87 -0.02 0.00 -1.26 -4.93 105.19 103.88 1j3s n GLY 24 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1j3s n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3s s LYS 25 N -3.79 3.52 -0.03 1.61 2.47 -1.26 -4.96 119.74 117.31 1j3s s LYS 25 Ca 0.00 -0.05 -0.00 0.00 -1.56 0.00 0.00 55.97 54.35 1j3s s LYS 25 Cb 0.00 -3.18 0.03 0.00 -1.46 0.00 0.00 37.83 33.22 1j3s s LYS 25 CO 0.00 0.75 0.04 -3.38 0.16 0.00 0.00 175.35 172.92 1j3s s HIS 26 N -1.07 0.02 0.00 4.03 -3.43 -1.26 -4.54 115.29 109.04 1j3s s HIS 26 Ca 0.18 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.60 1j3s s HIS 26 Cb -0.13 -0.27 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 1j3s s HIS 26 CO 0.07 -0.11 0.00 1.63 -2.00 0.00 0.00 174.74 174.33 1j3s n LYS 27 N 4.35 0.00 -0.10 -0.38 4.01 -1.26 -4.93 118.16 119.84 1j3s n LYS 27 Ca -0.24 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.38 1j3s n LYS 27 Cb 0.50 -0.23 -0.07 0.00 -0.51 0.00 0.00 35.03 34.72 1j3s n LYS 27 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1j3s n THR 28 N -2.20 1.50 -3.06 -0.18 -1.04 -1.26 -4.96 114.28 103.09 1j3s n THR 28 Ca 0.00 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.73 1j3s n THR 28 Cb 0.00 -2.14 -0.01 0.00 -1.82 0.00 0.00 70.33 66.37 1j3s n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1j3s s GLY 29 N -4.87 1.41 0.19 3.41 0.00 0.26 -5.02 107.32 102.71 1j3s s GLY 29 Ca -0.28 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1j3s s GLY 29 CO 0.45 -0.64 1.28 2.56 0.00 0.00 0.00 173.10 176.75 1j3s s PRO 30 N -4.50 4.41 -0.79 2.90 0.04 -1.26 -4.65 135.00 131.15 1j3s s PRO 30 Ca 0.43 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 1j3s s PRO 30 Cb -0.10 -3.21 -0.16 0.00 0.04 0.00 0.00 34.50 31.07 1j3s s PRO 30 CO 0.40 -0.21 2.58 -1.71 0.04 0.00 0.00 177.00 178.10 1j3s n ASN 31 N 2.65 1.13 -1.82 6.66 4.05 -1.26 -4.74 115.26 121.93 1j3s n ASN 31 Ca 0.06 -0.11 -0.10 0.00 0.45 0.00 0.00 54.58 54.88 1j3s n ASN 31 Cb 0.43 -1.20 -0.04 0.00 1.23 0.00 0.00 39.78 40.21 1j3s n ASN 31 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j3s n LEU 32 N 12.77 5.70 -4.27 1.20 4.32 -1.26 -4.71 117.00 130.75 1j3s n LEU 32 Ca 0.54 -2.99 -0.44 0.00 -0.02 0.00 0.00 56.01 53.10 1j3s n LEU 32 Cb 0.24 -1.20 0.00 0.00 -1.62 0.00 0.00 43.42 40.85 1j3s n LEU 32 CO 0.85 1.31 0.95 1.57 -1.22 0.00 0.00 177.39 180.85 1j3s n HIS 33 N 1.42 4.61 0.00 -1.77 -0.00 -1.26 -4.07 115.22 114.15 1j3s n HIS 33 Ca 0.23 -3.57 0.00 0.00 0.46 0.00 0.00 57.72 54.84 1j3s n HIS 33 Cb 0.63 -1.68 0.00 0.00 -0.12 0.00 0.00 29.99 28.82 1j3s n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3s n GLY 34 N 2.56 1.60 0.39 1.57 0.00 -1.26 -4.99 105.19 105.06 1j3s n GLY 34 Ca 0.26 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.49 1j3s n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j3s h LEU 35 N 0.00 0.05 -9.96 0.99 5.85 -1.85 -3.39 115.31 107.00 1j3s h LEU 35 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.20 1j3s h LEU 35 Cb 0.00 -0.01 0.09 0.00 0.37 0.00 0.00 40.66 41.11 1j3s h LEU 35 CO 0.00 0.02 0.61 -0.36 -0.34 0.00 0.00 178.44 178.37 1j3s s PHE 36 N -5.06 2.76 -0.54 1.25 0.40 -1.26 -1.90 117.98 113.63 1j3s s PHE 36 Ca -0.05 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1j3s s PHE 36 Cb 0.20 -3.68 0.00 0.00 0.51 0.00 0.00 43.02 40.05 1j3s s PHE 36 CO 0.74 -2.16 0.00 0.41 0.70 0.00 0.00 175.22 174.91 1j3s n GLY 37 N 0.65 0.64 2.80 4.36 0.00 -1.03 -4.96 105.19 107.65 1j3s n GLY 37 Ca 0.04 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1j3s n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3s s ARG 38 N -2.02 0.19 1.02 1.61 3.52 -0.80 -4.99 118.95 117.49 1j3s s ARG 38 Ca 0.00 0.11 -0.15 0.00 -0.13 0.00 0.00 55.73 55.56 1j3s s ARG 38 Cb 0.00 -0.40 0.20 0.00 -1.56 0.00 0.00 34.95 33.19 1j3s s ARG 38 CO 0.00 -0.15 1.17 0.15 -0.81 0.00 0.00 175.30 175.67 1j3s s LYS 39 N 1.03 0.24 1.10 5.12 1.02 -1.26 -3.49 119.74 123.51 1j3s s LYS 39 Ca -0.10 0.01 -0.17 0.00 0.02 0.00 0.00 55.97 55.74 1j3s s LYS 39 Cb -0.13 -1.76 0.24 0.00 -0.52 0.00 0.00 37.83 35.66 1j3s s LYS 39 CO -0.02 -2.75 1.14 0.99 -0.92 0.00 0.00 175.35 173.79 1j3s s THR 40 N -3.33 1.77 -0.04 2.17 2.01 -1.26 -4.79 115.64 112.16 1j3s s THR 40 Ca 0.69 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 1j3s s THR 40 Cb -0.11 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1j3s s THR 40 CO 0.54 0.00 0.02 0.61 -0.69 0.00 0.00 174.62 175.10 1j3s n GLY 41 N -1.55 -3.22 1.28 4.40 0.00 -1.26 -4.72 105.19 100.12 1j3s n GLY 41 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1j3s n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j3s n GLN 42 N 0.21 0.00 -1.47 1.61 -0.06 -1.26 -5.09 117.38 111.32 1j3s n GLN 42 Ca -0.04 0.00 -0.45 0.00 -2.00 0.00 0.00 57.00 54.51 1j3s n GLN 42 Cb 0.06 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.22 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s n ALA 43 N -1.96 -1.78 -1.00 1.69 0.00 -1.26 -4.95 120.51 111.24 1j3s n ALA 43 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1j3s n ALA 43 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1j3s n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j3s n PRO 44 N 0.86 0.00 -0.60 0.00 -0.04 -1.26 -4.25 135.00 129.71 1j3s n PRO 44 Ca 0.14 0.00 0.49 0.00 -0.04 0.00 0.00 63.50 64.08 1j3s n PRO 44 Cb 0.30 -0.00 0.81 0.00 -0.04 0.00 0.00 33.50 34.57 1j3s n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1j3s h GLY 45 N 0.00 0.00 -6.23 0.55 0.00 -2.05 -3.34 103.07 92.01 1j3s h GLY 45 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1j3s h GLY 45 CO 0.00 0.00 0.90 -0.47 0.00 0.00 0.00 176.54 176.97 1j3s s TYR 46 N -4.88 2.95 -1.29 5.60 6.14 -1.26 -4.92 117.35 119.69 1j3s s TYR 46 Ca -0.05 0.93 -0.18 0.00 0.64 0.00 0.00 57.07 58.41 1j3s s TYR 46 Cb 0.26 -4.09 0.03 0.00 0.42 0.00 0.00 41.96 38.57 1j3s s TYR 46 CO 0.87 -1.08 1.86 0.43 0.64 0.00 0.00 175.55 178.27 1j3s n SER 47 N 7.43 4.37 -3.70 4.32 7.64 -1.25 -4.61 113.62 127.82 1j3s n SER 47 Ca 0.12 -2.86 -0.15 0.00 1.01 0.00 0.00 58.87 56.99 1j3s n SER 47 Cb 0.48 -1.71 0.09 0.00 -1.01 0.00 0.00 64.21 62.07 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1j3s n TYR 48 N 8.93 -1.92 -1.56 1.43 4.02 -1.26 -4.46 117.16 122.33 1j3s n TYR 48 Ca 0.49 0.26 -0.13 0.00 -0.01 0.00 0.00 57.90 58.50 1j3s n TYR 48 Cb 0.45 -1.39 -0.08 0.00 -0.02 0.00 0.00 39.34 38.29 1j3s n TYR 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j3s n THR 49 N -3.90 0.00 -0.32 -0.72 -2.24 -1.26 -4.72 114.28 101.11 1j3s n THR 49 Ca 0.03 -0.37 0.20 0.00 -2.27 0.00 0.00 64.05 61.64 1j3s n THR 49 Cb 0.29 -1.97 0.39 0.00 -2.10 0.00 0.00 70.33 66.94 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3s h ALA 50 N 12.40 1.61 -0.16 6.98 0.00 -1.91 -1.09 119.26 137.09 1j3s h ALA 50 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1j3s h ALA 50 Cb 1.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1j3s h ALA 50 CO 1.01 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1j3s n ALA 51 N -2.57 -0.34 -0.31 0.00 0.00 -1.26 -1.82 120.51 114.21 1j3s n ALA 51 Ca 0.27 0.00 0.28 0.00 0.00 0.00 0.00 53.44 54.00 1j3s n ALA 51 Cb 0.88 0.14 0.52 0.00 0.00 0.00 0.00 19.45 20.99 1j3s n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j3s n ASN 52 N -2.19 0.27 0.00 0.00 4.13 -0.49 -0.63 115.26 116.35 1j3s n ASN 52 Ca 0.00 1.57 0.00 0.00 1.68 0.00 0.00 54.58 57.83 1j3s n ASN 52 Cb 0.00 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 1j3s n ASN 52 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1j3s n LYS 53 N -5.17 0.00 0.02 3.52 0.00 -0.75 -1.97 118.16 113.81 1j3s n LYS 53 Ca 0.34 0.52 0.02 0.00 0.00 0.00 0.00 58.31 59.19 1j3s n LYS 53 Cb 1.16 -1.46 0.08 0.00 0.00 0.00 0.00 35.03 34.81 1j3s n LYS 53 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1j3s n ASN 54 N -2.00 0.07 0.00 3.14 5.15 -0.56 -1.74 115.26 119.32 1j3s n ASN 54 Ca 0.00 0.53 0.04 0.00 -0.60 0.00 0.00 54.58 54.55 1j3s n ASN 54 Cb 0.00 -0.54 0.21 0.00 -0.53 0.00 0.00 39.78 38.92 1j3s n ASN 54 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1j3s n LYS 55 N -1.59 0.07 -3.86 1.20 3.00 0.19 -4.84 118.16 112.34 1j3s n LYS 55 Ca -0.00 0.27 -0.24 0.00 -0.00 0.00 0.00 58.31 58.33 1j3s n LYS 55 Cb 0.01 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 33.54 1j3s n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 56 N -0.55 -0.29 3.14 3.14 0.00 -0.71 -4.94 105.19 104.98 1j3s n GLY 56 Ca 0.03 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1j3s n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j3s s ILE 57 N -3.84 2.26 -0.18 -0.61 -1.16 -1.26 -5.09 121.20 111.33 1j3s s ILE 57 Ca 0.03 -0.96 -0.29 0.00 -0.51 0.00 0.00 60.65 58.92 1j3s s ILE 57 Cb -0.01 -2.01 -0.00 0.00 0.61 0.00 0.00 42.46 41.05 1j3s s ILE 57 CO 0.86 0.45 1.11 -0.51 -2.81 0.00 0.00 174.94 174.05 1j3s s ILE 58 N 1.30 4.55 -0.70 2.00 -1.16 -1.26 -4.24 121.20 121.69 1j3s s ILE 58 Ca 0.04 1.86 -0.26 0.00 -0.51 0.00 0.00 60.65 61.78 1j3s s ILE 58 Cb -0.14 -4.20 -0.07 0.00 0.61 0.00 0.00 42.46 38.66 1j3s s ILE 58 CO -0.11 -0.12 2.16 0.26 -2.81 0.00 0.00 174.94 174.32 1j3s s TRP 59 N 3.00 1.42 0.04 3.50 0.23 -1.23 -4.72 118.94 121.18 1j3s s TRP 59 Ca 0.49 1.25 0.00 0.00 -2.03 0.00 0.00 56.10 55.80 1j3s s TRP 59 Cb -0.18 -3.79 0.00 0.00 0.03 0.00 0.00 33.47 29.53 1j3s s TRP 59 CO 0.12 -2.04 0.01 0.41 0.96 0.00 0.00 176.95 176.41 1j3s n GLY 60 N 6.34 3.65 0.05 0.98 0.00 -1.26 -2.48 105.19 112.47 1j3s n GLY 60 Ca 0.36 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 1j3s n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3s h GLU 61 N 0.00 -0.12 -0.59 1.61 5.08 -1.97 -1.28 114.58 117.30 1j3s h GLU 61 Ca -0.03 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1j3s h GLU 61 Cb 0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1j3s h GLU 61 CO 0.05 -0.08 0.21 0.22 -1.00 0.00 0.00 179.01 178.40 1j3s h ASP 62 N -0.20 0.81 -0.11 1.42 3.58 -1.98 -1.77 116.42 118.17 1j3s h ASP 62 Ca -0.01 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.32 1j3s h ASP 62 Cb 0.10 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1j3s h ASP 62 CO 0.02 0.75 0.06 0.71 -2.88 0.00 0.00 179.24 177.90 1j3s h THR 63 N 0.86 1.01 -0.21 2.25 1.35 -1.88 -1.79 112.91 114.50 1j3s h THR 63 Ca 0.20 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.97 1j3s h THR 63 Cb 0.21 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1j3s h THR 63 CO -0.01 0.02 -0.05 0.25 -0.25 0.00 0.00 175.52 175.48 1j3s h LEU 64 N 0.13 0.29 -0.94 3.87 6.46 -0.95 -2.24 115.31 121.93 1j3s h LEU 64 Ca 0.04 -0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1j3s h LEU 64 Cb 0.00 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 39.78 1j3s h LEU 64 CO -0.03 0.39 0.59 -0.03 -0.62 0.00 0.00 178.44 178.74 1j3s h MET 65 N 0.30 0.99 0.29 1.25 4.05 -0.44 -1.28 114.93 120.08 1j3s h MET 65 Ca 0.07 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1j3s h MET 65 Cb 0.29 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1j3s h MET 65 CO 0.01 0.65 -0.14 1.49 0.23 0.00 0.00 176.91 179.16 1j3s h GLU 66 N 1.02 -0.37 -1.05 0.39 4.57 -1.12 -1.26 114.58 116.76 1j3s h GLU 66 Ca 0.43 0.03 0.28 0.00 -1.18 0.00 0.00 59.36 58.91 1j3s h GLU 66 Cb 0.28 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.88 1j3s h GLU 66 CO -0.21 -0.03 0.71 -0.92 -1.18 0.00 0.00 179.01 177.38 1j3s h TYR 67 N -0.81 0.42 0.02 0.92 3.20 -1.30 0.39 116.97 119.81 1j3s h TYR 67 Ca -0.04 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.60 1j3s h TYR 67 Cb 0.51 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.67 1j3s h TYR 67 CO 0.04 0.04 -1.01 -0.07 -1.64 0.00 0.00 178.16 175.52 1j3s h LEU 68 N 0.26 0.64 -2.61 2.82 4.07 -1.08 0.23 115.31 119.64 1j3s h LEU 68 Ca 0.56 -0.53 0.01 0.00 0.08 0.00 0.00 57.88 58.00 1j3s h LEU 68 Cb 1.69 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 43.23 1j3s h LEU 68 CO -0.19 1.34 0.04 -0.08 -1.08 0.00 0.00 178.44 178.46 1j3s h GLU 69 N 0.26 0.00 -0.48 1.13 4.81 0.98 -3.37 114.58 117.91 1j3s h GLU 69 Ca -0.10 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1j3s h GLU 69 Cb 1.66 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.85 1j3s h GLU 69 CO 0.18 0.00 -0.20 0.54 -0.73 0.00 0.00 179.01 178.81 1j3s s ASN 70 N -5.71 -0.75 -0.02 1.04 2.20 -0.71 -5.03 114.94 105.96 1j3s s ASN 70 Ca -0.05 -0.23 -0.20 0.00 -0.94 0.00 0.00 52.86 51.43 1j3s s ASN 70 Cb 0.14 1.11 -0.32 0.00 -2.00 0.00 0.00 41.25 40.18 1j3s s ASN 70 CO 0.49 -0.10 0.94 1.55 -2.94 0.00 0.00 177.10 177.04 1j3s h PRO 71 N 6.41 0.37 0.00 3.55 0.13 -0.72 -0.29 132.00 141.46 1j3s h PRO 71 Ca -0.03 -0.62 -0.05 0.00 -0.87 0.00 0.00 66.00 64.44 1j3s h PRO 71 Cb 1.21 0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 1j3s h PRO 71 CO -0.02 1.29 -0.22 -0.22 -0.23 0.00 0.00 178.00 178.60 1j3s h LYS 72 N -0.22 0.00 0.06 0.86 3.64 -1.82 -2.36 116.57 116.74 1j3s h LYS 72 Ca -0.17 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.87 1j3s h LYS 72 Cb 1.75 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.54 1j3s h LYS 72 CO 0.18 0.22 -2.00 1.17 -2.27 0.00 0.00 179.45 176.75 1j3s n LYS 73 N -3.17 0.70 0.05 1.90 3.00 -1.25 -4.37 118.16 115.02 1j3s n LYS 73 Ca 0.03 0.24 -0.02 0.00 -0.00 0.00 0.00 58.31 58.55 1j3s n LYS 73 Cb 0.60 -1.70 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 1j3s n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1j3s h TYR 74 N 0.04 -0.14 -3.61 5.64 3.20 -1.12 -3.42 116.97 117.57 1j3s h TYR 74 Ca -0.41 -0.00 -0.67 0.00 3.14 0.00 0.00 58.73 60.78 1j3s h TYR 74 Cb 2.03 0.05 -0.17 0.00 1.54 0.00 0.00 36.73 40.17 1j3s h TYR 74 CO 0.04 -0.09 -0.21 0.42 -1.64 0.00 0.00 178.16 176.68 1j3s s ILE 75 N -2.09 5.11 -1.30 1.81 -1.09 -0.89 -4.97 121.20 117.78 1j3s s ILE 75 Ca -0.02 -0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.18 1j3s s ILE 75 Cb 0.00 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1j3s s ILE 75 CO 0.06 -0.24 2.15 -0.81 -1.23 0.00 0.00 174.94 174.87 1j3s n PRO 76 N 5.53 2.54 0.00 2.79 -0.04 -1.26 -3.60 135.00 140.96 1j3s n PRO 76 Ca -0.08 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1j3s n PRO 76 Cb 0.48 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1j3s n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3s n GLY 77 N 4.23 -0.23 3.53 0.55 0.00 -1.26 -4.73 105.19 107.29 1j3s n GLY 77 Ca 0.51 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 1j3s n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j3s n THR 78 N -1.89 0.00 -0.52 2.61 5.66 -1.24 -4.90 114.28 114.01 1j3s n THR 78 Ca 0.00 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1j3s n THR 78 Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 1j3s n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1j3s n LYS 79 N -3.90 1.26 -2.36 1.09 5.02 -1.26 -4.77 118.16 113.24 1j3s n LYS 79 Ca 0.07 -0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 55.02 1j3s n LYS 79 Cb 0.54 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 34.78 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3s s MET 80 N -0.44 3.94 -0.40 1.97 0.23 -1.26 -4.85 119.30 118.50 1j3s s MET 80 Ca 0.00 1.40 0.01 0.00 -1.03 0.00 0.00 55.69 56.07 1j3s s MET 80 Cb 0.00 -3.89 0.40 0.00 -1.53 0.00 0.00 34.83 29.80 1j3s s MET 80 CO 0.00 -1.09 1.84 -0.89 -2.03 0.00 0.00 175.02 172.85 1j3s n ILE 81 N 6.11 2.86 -0.05 3.16 2.08 -1.26 -4.51 119.36 127.75 1j3s n ILE 81 Ca 0.15 -1.79 0.05 0.00 0.56 0.00 0.00 62.75 61.72 1j3s n ILE 81 Cb 0.46 -0.94 0.41 0.00 -0.75 0.00 0.00 39.64 38.81 1j3s n ILE 81 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1j3s h PHE 82 N 1.21 0.58 0.00 1.39 3.57 -1.98 -3.43 116.94 118.27 1j3s h PHE 82 Ca 0.44 0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.65 1j3s h PHE 82 Cb 1.59 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 1j3s h PHE 82 CO 1.11 0.35 0.73 1.33 -2.23 0.00 0.00 178.31 179.60 1j3s n VAL 83 N -4.47 0.00 -1.82 1.41 0.24 -1.26 -4.62 118.33 107.81 1j3s n VAL 83 Ca 0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 1j3s n VAL 83 Cb 0.11 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 1j3s n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j3s n GLY 84 N 3.32 0.49 3.89 7.63 0.00 -1.26 -5.14 105.19 114.11 1j3s n GLY 84 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1j3s n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3s s ILE 85 N 0.00 4.75 -0.32 -0.61 1.01 -1.26 -5.04 121.20 119.73 1j3s s ILE 85 Ca 0.00 -1.23 0.16 0.00 0.00 0.00 0.00 60.65 59.58 1j3s s ILE 85 Cb 0.00 -3.58 0.44 0.00 0.01 0.00 0.00 42.46 39.33 1j3s s ILE 85 CO 0.00 -0.34 1.29 1.17 0.00 0.00 0.00 174.94 177.07 1j3s n LYS 86 N -1.28 1.42 -3.39 2.79 4.81 -1.26 -5.07 118.16 116.18 1j3s n LYS 86 Ca -0.08 -2.32 0.02 0.00 -0.87 0.00 0.00 58.31 55.05 1j3s n LYS 86 Cb 0.58 -0.52 -0.03 0.00 0.02 0.00 0.00 35.03 35.08 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1j3s s LYS 87 N -1.54 0.51 0.37 1.64 2.20 -1.26 -5.02 119.74 116.64 1j3s s LYS 87 Ca 0.19 1.11 0.11 0.00 -0.36 0.00 0.00 55.97 57.03 1j3s s LYS 87 Cb 0.40 0.65 0.89 0.00 -1.51 0.00 0.00 37.83 38.27 1j3s s LYS 87 CO -0.07 -0.36 1.84 -0.22 -0.36 0.00 0.00 175.35 176.18 1j3s h LYS 88 N 7.94 0.59 -0.81 4.03 1.63 -2.00 0.13 116.57 128.09 1j3s h LYS 88 Ca -0.19 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1j3s h LYS 88 Cb 1.13 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.59 1j3s h LYS 88 CO 0.15 0.39 0.50 0.93 -3.45 0.00 0.00 179.45 177.97 1j3s h GLU 89 N 0.61 1.09 -0.06 1.90 4.39 -2.00 -2.33 114.58 118.17 1j3s h GLU 89 Ca 0.49 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1j3s h GLU 89 Cb 0.93 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1j3s h GLU 89 CO -0.24 0.75 0.03 0.93 -1.16 0.00 0.00 179.01 179.32 1j3s h GLU 90 N 1.11 0.09 -0.75 2.33 4.39 -1.14 -2.47 114.58 118.14 1j3s h GLU 90 Ca 0.29 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.09 1j3s h GLU 90 Cb -0.07 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.49 1j3s h GLU 90 CO -0.06 0.21 0.36 0.00 -1.16 0.00 0.00 179.01 178.36 1j3s h ARG 91 N -0.04 0.56 -0.51 2.33 3.08 -1.22 0.15 114.38 118.73 1j3s h ARG 91 Ca 0.02 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1j3s h ARG 91 Cb 0.15 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1j3s h ARG 91 CO -0.00 0.37 0.34 0.00 -1.07 0.00 0.00 179.97 179.61 1j3s h ALA 92 N 1.48 1.78 0.00 0.04 0.00 -1.10 -0.75 119.26 120.71 1j3s h ALA 92 Ca 0.39 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1j3s h ALA 92 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j3s h ALA 92 CO -0.32 0.15 -0.40 -0.44 0.00 0.00 0.00 179.25 178.25 1j3s h ASP 93 N 0.55 0.00 0.32 0.00 3.32 -0.26 0.08 116.42 120.42 1j3s h ASP 93 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1j3s h ASP 93 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1j3s h ASP 93 CO -0.05 0.40 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.65 1j3s h LEU 94 N 0.00 -0.36 -1.80 1.55 3.38 -0.72 -2.49 115.31 114.87 1j3s h LEU 94 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j3s h LEU 94 Cb 0.76 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1j3s h LEU 94 CO 0.05 -0.06 0.15 0.40 0.09 0.00 0.00 178.44 179.07 1j3s h ILE 95 N -0.81 1.03 -0.91 1.22 5.03 -1.57 -1.60 117.51 119.89 1j3s h ILE 95 Ca -0.04 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1j3s h ILE 95 Cb 0.33 0.74 -0.04 0.00 -3.03 0.00 0.00 36.82 34.81 1j3s h ILE 95 CO 0.07 0.05 0.58 0.00 -0.68 0.00 0.00 178.15 178.17 1j3s h ALA 96 N 1.86 1.16 -0.07 1.87 0.00 -0.99 0.23 119.26 123.33 1j3s h ALA 96 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1j3s h ALA 96 Cb 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1j3s h ALA 96 CO -0.02 0.59 -0.05 -0.92 0.00 0.00 0.00 179.25 178.85 1j3s h TYR 97 N 1.25 0.18 0.00 0.00 3.20 -0.82 -2.61 116.97 118.17 1j3s h TYR 97 Ca 0.33 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1j3s h TYR 97 Cb -0.10 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1j3s h TYR 97 CO -0.00 0.57 0.00 -0.07 -1.64 0.00 0.00 178.16 177.02 1j3s h LEU 98 N -0.26 0.00 -0.02 2.82 -0.00 -1.24 -1.23 115.31 115.39 1j3s h LEU 98 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1j3s h LEU 98 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1j3s h LEU 98 CO 0.01 0.00 -0.05 0.50 -0.00 0.00 0.00 178.44 178.90 1j3s h LYS 99 N 0.00 0.06 0.00 1.13 3.64 -0.16 -2.07 116.57 119.17 1j3s h LYS 99 Ca 0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1j3s h LYS 99 Cb 0.29 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1j3s h LYS 99 CO 0.00 0.67 -0.74 -0.22 -2.27 0.00 0.00 179.45 176.89 1j3s h LYS 100 N -0.53 0.00 0.50 1.90 3.64 -1.30 0.27 116.57 121.04 1j3s h LYS 100 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1j3s h LYS 100 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1j3s h LYS 100 CO 0.01 0.74 -0.24 0.00 -2.27 0.00 0.00 179.45 177.69 1j3s h ALA 101 N 1.26 -0.67 0.00 5.00 0.00 -1.29 -3.32 119.26 120.24 1j3s h ALA 101 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1j3s h ALA 101 Cb 1.56 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1j3s h ALA 101 CO 0.10 -0.64 -1.59 0.25 0.00 0.00 0.00 179.25 177.37 1j3s n THR 102 N -5.23 0.58 1.72 0.00 -2.24 -0.94 -4.49 114.28 103.69 1j3s n THR 102 Ca -0.09 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.34 1j3s n THR 102 Cb 0.28 -0.76 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1j3s n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j3s n ASN 103 N -2.31 0.42 0.00 3.42 5.15 0.08 -4.96 115.26 117.06 1j3s n ASN 103 Ca -0.14 -2.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.83 1j3s n ASN 103 Cb 0.77 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87