#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 3.85 -0.13 1.61 -1.08 -1.26 -5.05 116.67 114.60 1j3s s ASP 2 Ca 0.00 -1.20 0.01 0.00 -0.52 0.00 0.00 52.55 50.83 1j3s s ASP 2 Cb 0.00 -0.39 -0.24 0.00 -1.46 0.00 0.00 42.92 40.83 1j3s s ASP 2 CO 0.00 -0.27 0.32 0.55 0.52 0.00 0.00 175.17 176.29 1j3s n VAL 3 N -0.87 1.67 0.27 1.11 3.14 -1.26 -3.58 118.33 118.83 1j3s n VAL 3 Ca -0.05 -0.69 0.08 0.00 -2.96 0.00 0.00 64.34 60.72 1j3s n VAL 3 Cb 0.64 -1.45 0.37 0.00 -1.06 0.00 0.00 33.84 32.34 1j3s n VAL 3 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j3s n GLU 4 N -3.30 0.09 -0.09 1.45 1.02 -1.26 -2.03 120.64 116.52 1j3s n GLU 4 Ca -0.31 0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 57.13 1j3s n GLU 4 Cb 1.05 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.67 1j3s n GLU 4 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j3s n LYS 5 N -1.91 0.52 -0.36 3.49 5.02 -1.25 -4.00 118.16 119.66 1j3s n LYS 5 Ca 0.01 0.52 0.05 0.00 -2.02 0.00 0.00 58.31 56.87 1j3s n LYS 5 Cb 0.12 -1.69 0.21 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.59 0.41 0.72 0.00 -1.58 -0.26 103.07 102.94 1j3s h GLY 6 Ca -0.24 -0.45 0.15 0.00 0.00 0.00 0.00 47.33 46.80 1j3s h GLY 6 CO -0.14 0.24 0.60 1.70 0.00 0.00 0.00 176.54 178.94 1j3s h LYS 7 N 1.07 0.74 0.00 4.80 3.64 -1.59 0.23 116.57 125.46 1j3s h LYS 7 Ca 0.47 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.68 1j3s h LYS 7 Cb 0.35 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1j3s h LYS 7 CO -0.22 0.49 -0.56 -0.22 -2.27 0.00 0.00 179.45 176.66 1j3s h LYS 8 N 0.76 0.00 0.58 1.90 3.64 -1.19 -1.27 116.57 120.99 1j3s h LYS 8 Ca 0.49 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.84 1j3s h LYS 8 Cb 0.74 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1j3s h LYS 8 CO -0.25 0.56 -0.28 0.82 -2.27 0.00 0.00 179.45 178.03 1j3s h ILE 9 N 0.00 0.00 -0.65 2.00 2.04 -0.07 0.50 117.51 121.33 1j3s h ILE 9 Ca -0.01 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1j3s h ILE 9 Cb 1.16 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1j3s h ILE 9 CO 0.07 0.00 0.30 0.15 0.00 0.00 0.00 178.15 178.67 1j3s h PHE 10 N -0.82 0.96 0.00 1.37 3.04 -1.57 1.73 116.94 121.65 1j3s h PHE 10 Ca -0.08 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1j3s h PHE 10 Cb 0.60 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1j3s h PHE 10 CO 0.09 0.73 0.00 0.82 -2.02 0.00 0.00 178.31 177.93 1j3s h ILE 11 N 0.91 0.00 0.00 1.41 1.08 -1.15 0.19 117.51 119.95 1j3s h ILE 11 Ca 0.22 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1j3s h ILE 11 Cb 0.15 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1j3s h ILE 11 CO -0.02 0.00 -0.18 0.80 -0.69 0.00 0.00 178.15 178.05 1j3s n MET 12 N -2.92 0.88 0.00 2.37 1.56 0.18 -4.46 117.12 114.73 1j3s n MET 12 Ca -0.02 -1.78 0.00 0.00 -0.27 0.00 0.00 57.70 55.62 1j3s n MET 12 Cb 0.10 -1.03 0.00 0.00 2.15 0.00 0.00 33.22 34.43 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1j3s n LYS 13 N -0.75 0.00 -0.43 2.12 4.81 0.57 -4.88 118.16 119.60 1j3s n LYS 13 Ca 0.08 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.58 1j3s n LYS 13 Cb 0.62 -0.21 0.11 0.00 0.02 0.00 0.00 35.03 35.57 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j3s n SER 15 N -0.85 1.00 -0.07 0.00 2.88 0.56 -1.00 113.62 116.13 1j3s n SER 15 Ca 0.12 -1.09 -0.23 0.00 -1.33 0.00 0.00 58.87 56.34 1j3s n SER 15 Cb 0.72 0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 64.08 1j3s n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3s n GLN 16 N -0.40 0.64 -0.01 -1.46 6.02 -1.26 -4.13 117.38 116.77 1j3s n GLN 16 Ca 0.17 0.39 -0.16 0.00 -0.01 0.00 0.00 57.00 57.39 1j3s n GLN 16 Cb 0.31 -1.68 -0.14 0.00 1.02 0.00 0.00 30.24 29.75 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j3s s HIS 18 N -2.57 3.69 -0.76 0.00 3.76 -0.17 0.82 115.29 120.06 1j3s s HIS 18 Ca -0.15 -2.84 -0.27 0.00 -0.15 0.00 0.00 55.06 51.65 1j3s s HIS 18 Cb 0.07 -3.26 0.03 0.00 1.11 0.00 0.00 32.58 30.53 1j3s s HIS 18 CO 0.79 -0.79 1.30 0.95 -0.85 0.00 0.00 174.74 176.13 1j3s s THR 19 N -0.74 3.73 -0.18 1.30 -4.23 -1.26 -4.13 115.64 110.13 1j3s s THR 19 Ca 0.23 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1j3s s THR 19 Cb -0.13 -4.91 0.21 0.00 1.34 0.00 0.00 72.50 69.01 1j3s s THR 19 CO -0.08 -1.85 1.53 1.33 -0.54 0.00 0.00 174.62 175.01 1j3s n VAL 20 N 6.42 2.02 -2.02 2.29 0.24 -1.26 -3.58 118.33 122.44 1j3s n VAL 20 Ca 0.05 -0.88 -0.01 0.00 -2.04 0.00 0.00 64.34 61.47 1j3s n VAL 20 Cb 0.49 -0.99 -0.01 0.00 -1.47 0.00 0.00 33.84 31.86 1j3s n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j3s n GLU 21 N 0.15 0.00 -0.04 7.34 1.02 -1.26 -4.93 120.64 122.92 1j3s n GLU 21 Ca 0.21 -0.39 -0.02 0.00 -0.02 0.00 0.00 57.16 56.94 1j3s n GLU 21 Cb 0.80 -0.02 -0.01 0.00 -0.02 0.00 0.00 31.44 32.19 1j3s n GLU 21 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1j3s h LYS 22 N 0.04 0.00 0.00 3.49 1.63 -1.90 -3.50 116.57 116.33 1j3s h LYS 22 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1j3s h LYS 22 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1j3s h LYS 22 CO -0.03 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.38 1j3s n GLY 23 N 1.70 -0.77 2.78 5.01 0.00 -1.26 -4.85 105.19 107.80 1j3s n GLY 23 Ca -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 0.63 3.95 -0.02 0.00 -1.26 -4.95 105.19 103.54 1j3s n GLY 24 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.37 3.43 -0.21 1.61 2.20 -1.26 -4.99 119.74 118.15 1j3s s LYS 25 Ca 0.00 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 1j3s s LYS 25 Cb 0.00 -2.93 0.09 0.00 -1.51 0.00 0.00 37.83 33.48 1j3s s LYS 25 CO 0.00 0.48 0.43 -3.38 -0.36 0.00 0.00 175.35 172.53 1j3s s HIS 26 N -1.84 -0.84 0.00 4.03 -3.43 -1.26 -4.37 115.29 107.59 1j3s s HIS 26 Ca 0.34 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 56.18 1j3s s HIS 26 Cb -0.10 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 1j3s s HIS 26 CO 0.29 -0.50 0.00 1.17 -2.00 0.00 0.00 174.74 173.70 1j3s n LYS 27 N 5.40 0.00 -0.01 -0.38 3.00 -1.26 -4.86 118.16 120.04 1j3s n LYS 27 Ca -0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.01 1j3s n LYS 27 Cb 0.49 -0.07 -0.14 0.00 0.00 0.00 0.00 35.03 35.32 1j3s n LYS 27 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1j3s h THR 28 N 0.00 0.88 -2.71 3.15 2.02 -1.85 -3.47 112.91 110.93 1j3s h THR 28 Ca 0.00 -2.35 -0.57 0.00 0.77 0.00 0.00 66.41 64.26 1j3s h THR 28 Cb 0.00 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1j3s h THR 28 CO 0.00 0.71 -0.50 -0.83 0.37 0.00 0.00 175.52 175.27 1j3s s GLY 29 N -5.15 1.86 0.19 2.16 0.00 0.24 -4.98 107.32 101.64 1j3s s GLY 29 Ca -0.22 -1.01 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 1j3s s GLY 29 CO 0.74 -1.00 1.43 2.56 0.00 0.00 0.00 173.10 176.83 1j3s s PRO 30 N -2.97 4.29 -0.73 2.90 0.04 -1.26 -4.53 135.00 132.74 1j3s s PRO 30 Ca 0.34 2.22 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 1j3s s PRO 30 Cb -0.11 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 31.12 1j3s s PRO 30 CO 0.27 -0.43 2.54 -1.71 0.04 0.00 0.00 177.00 177.71 1j3s n ASN 31 N 3.07 1.31 -3.74 6.66 4.05 -1.26 -4.70 115.26 120.65 1j3s n ASN 31 Ca 0.09 -0.12 -0.42 0.00 0.45 0.00 0.00 54.58 54.58 1j3s n ASN 31 Cb 0.41 -1.24 0.00 0.00 1.23 0.00 0.00 39.78 40.18 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 12.91 6.86 -0.09 1.20 4.32 -1.26 -4.55 117.00 136.39 1j3s n LEU 32 Ca 0.52 -4.19 -0.10 0.00 -0.02 0.00 0.00 56.01 52.22 1j3s n LEU 32 Cb 0.27 -1.64 -0.03 0.00 -1.62 0.00 0.00 43.42 40.40 1j3s n LEU 32 CO 0.83 1.14 -0.70 1.57 -1.22 0.00 0.00 177.39 179.00 1j3s n HIS 33 N 5.87 0.00 -1.64 -1.77 -0.00 -1.26 -4.61 115.22 111.81 1j3s n HIS 33 Ca 0.51 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.48 1j3s n HIS 33 Cb 0.39 -0.51 0.09 0.00 -0.12 0.00 0.00 29.99 29.84 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 1.50 5.76 0.52 1.57 0.00 -1.26 -4.74 105.19 108.54 1j3s n GLY 34 Ca -0.16 -2.09 0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 1.74 0.00 -9.29 0.99 5.85 -1.85 -3.25 115.31 109.50 1j3s h LEU 35 Ca 0.40 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.57 1j3s h LEU 35 Cb 1.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1j3s h LEU 35 CO 0.89 0.00 0.73 -0.36 -0.34 0.00 0.00 178.44 179.36 1j3s s PHE 36 N -4.96 3.15 0.00 1.25 0.40 -1.26 -2.67 117.98 113.90 1j3s s PHE 36 Ca -0.05 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 1j3s s PHE 36 Cb 0.23 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 40.33 1j3s s PHE 36 CO 0.80 -1.34 0.00 0.41 0.70 0.00 0.00 175.22 175.79 1j3s n GLY 37 N 3.39 2.02 3.24 4.36 0.00 -1.12 -4.98 105.19 112.10 1j3s n GLY 37 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.17 2.51 0.64 1.61 3.52 -1.09 -4.96 118.95 121.00 1j3s s ARG 38 Ca 0.00 -1.32 -0.18 0.00 -0.13 0.00 0.00 55.73 54.09 1j3s s ARG 38 Cb 0.00 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1j3s s ARG 38 CO 0.00 -0.76 1.28 -1.59 -0.81 0.00 0.00 175.30 173.42 1j3s s LYS 39 N 1.35 2.62 0.92 5.12 -2.85 -1.26 -4.28 119.74 121.36 1j3s s LYS 39 Ca -0.00 2.01 -0.14 0.00 -1.00 0.00 0.00 55.97 56.84 1j3s s LYS 39 Cb -0.21 -1.86 0.07 0.00 -2.06 0.00 0.00 37.83 33.78 1j3s s LYS 39 CO 0.01 -1.53 -0.07 -2.37 0.10 0.00 0.00 175.35 171.49 1j3s n THR 40 N -1.87 0.00 -2.79 3.79 5.66 -1.26 -4.48 114.28 113.34 1j3s n THR 40 Ca 0.15 -0.06 -0.01 0.00 -3.05 0.00 0.00 64.05 61.08 1j3s n THR 40 Cb 0.48 -0.34 -0.01 0.00 -1.55 0.00 0.00 70.33 68.92 1j3s n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3s n GLY 41 N 2.65 -3.64 0.62 1.09 0.00 -1.26 -4.80 105.19 99.86 1j3s n GLY 41 Ca 0.03 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 1.04 0.00 -1.71 1.61 -0.06 -1.26 -5.06 117.38 111.94 1j3s n GLN 42 Ca -0.07 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.54 1j3s n GLN 42 Cb 0.19 -0.15 0.04 0.00 -4.06 0.00 0.00 30.24 26.26 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 -1.81 1.27 -0.03 1.69 0.00 -1.26 -4.96 120.51 115.41 1j3s n ALA 43 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 1j3s n ALA 43 Cb 0.00 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.16 1j3s n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j3s h PRO 44 N 1.39 -0.01 -1.91 0.00 0.13 -1.99 -3.35 132.00 126.26 1j3s h PRO 44 Ca -0.50 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 1j3s h PRO 44 Cb 1.31 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 1j3s h PRO 44 CO 0.56 -0.01 0.08 0.41 -0.23 0.00 0.00 178.00 178.82 1j3s n GLY 45 N 1.80 3.58 3.34 1.56 0.00 -1.26 -4.70 105.19 109.51 1j3s n GLY 45 Ca -0.00 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 44.82 1j3s n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j3s s TYR 46 N -0.59 -1.45 -1.32 1.61 6.14 -1.26 -5.04 117.35 115.45 1j3s s TYR 46 Ca 0.47 1.89 -0.17 0.00 0.64 0.00 0.00 57.07 59.90 1j3s s TYR 46 Cb 0.28 0.64 0.05 0.00 0.42 0.00 0.00 41.96 43.34 1j3s s TYR 46 CO -0.07 -0.76 1.88 0.43 0.64 0.00 0.00 175.55 177.66 1j3s n SER 47 N 5.42 4.50 -3.58 4.32 7.64 -1.26 -4.54 113.62 126.12 1j3s n SER 47 Ca -0.06 -2.88 -0.10 0.00 1.01 0.00 0.00 58.87 56.85 1j3s n SER 47 Cb 0.50 -1.71 0.09 0.00 -1.01 0.00 0.00 64.21 62.09 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 8.17 -2.07 -1.55 1.43 4.02 -1.26 -4.44 117.16 121.46 1j3s n TYR 48 Ca 0.50 0.21 -0.13 0.00 -0.01 0.00 0.00 57.90 58.46 1j3s n TYR 48 Cb 0.44 -1.34 -0.09 0.00 -0.02 0.00 0.00 39.34 38.33 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 -0.33 -0.72 -2.24 -1.26 -4.71 114.28 101.13 1j3s n THR 49 Ca 0.04 -0.37 0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1j3s n THR 49 Cb 0.19 -1.87 0.31 0.00 -2.10 0.00 0.00 70.33 66.86 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 12.30 1.68 -0.01 6.98 0.00 -1.94 -2.03 119.26 136.24 1j3s h ALA 50 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j3s h ALA 50 Cb 1.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1j3s h ALA 50 CO 1.03 0.04 -0.31 0.00 0.00 0.00 0.00 179.25 180.01 1j3s h ALA 51 N 1.59 -0.75 -0.93 0.00 0.00 -1.90 -0.32 119.26 116.95 1j3s h ALA 51 Ca 0.50 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.50 1j3s h ALA 51 Cb 0.69 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 1j3s h ALA 51 CO -0.27 -0.85 0.55 -0.97 0.00 0.00 0.00 179.25 177.70 1j3s h ASN 52 N -0.38 0.75 -0.94 0.00 -0.73 -1.81 0.65 115.58 113.12 1j3s h ASN 52 Ca 0.01 0.07 0.19 0.00 1.87 0.00 0.00 56.30 58.44 1j3s h ASN 52 Cb 0.42 -0.07 -0.08 0.00 0.27 0.00 0.00 38.32 38.85 1j3s h ASN 52 CO -0.21 0.36 0.60 0.50 -0.37 0.00 0.00 177.43 178.31 1j3s h LYS 53 N 0.82 0.56 0.00 6.67 3.64 -0.42 0.15 116.57 128.00 1j3s h LYS 53 Ca 0.48 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.75 1j3s h LYS 53 Cb 0.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1j3s h LYS 53 CO -0.31 0.37 -0.53 -0.91 -2.27 0.00 0.00 179.45 175.81 1j3s h ASN 54 N 0.58 0.00 0.00 4.20 2.35 0.62 -3.16 115.58 120.17 1j3s h ASN 54 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 1j3s h ASN 54 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1j3s h ASN 54 CO -0.25 0.34 0.00 1.17 -1.65 0.00 0.00 177.43 177.05 1j3s n LYS 55 N -3.11 0.82 -3.69 0.81 4.81 0.52 -4.88 118.16 113.45 1j3s n LYS 55 Ca 0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.17 1j3s n LYS 55 Cb 0.68 -1.35 0.04 0.00 0.02 0.00 0.00 35.03 34.42 1j3s n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3s n GLY 56 N 0.54 -0.80 3.66 3.14 0.00 -1.11 -4.94 105.19 105.67 1j3s n GLY 56 Ca 0.14 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.56 4.79 -0.39 -0.61 -1.16 -1.24 -5.07 121.20 113.97 1j3s s ILE 57 Ca 0.34 -0.04 -0.17 0.00 -0.51 0.00 0.00 60.65 60.28 1j3s s ILE 57 Cb -0.11 -3.13 0.01 0.00 0.61 0.00 0.00 42.46 39.83 1j3s s ILE 57 CO 0.85 0.49 0.41 -0.51 -2.81 0.00 0.00 174.94 173.38 1j3s s ILE 58 N 0.09 5.11 -0.33 2.00 -1.16 -1.26 -4.04 121.20 121.61 1j3s s ILE 58 Ca 0.05 -0.15 -0.27 0.00 -0.51 0.00 0.00 60.65 59.77 1j3s s ILE 58 Cb -0.12 -3.95 -0.06 0.00 0.61 0.00 0.00 42.46 38.94 1j3s s ILE 58 CO 0.01 -0.28 2.31 0.79 -2.81 0.00 0.00 174.94 174.95 1j3s n TRP 59 N 5.53 1.74 -2.78 3.50 5.03 -1.26 -4.75 117.44 124.44 1j3s n TRP 59 Ca -0.08 -0.02 0.00 0.00 3.03 0.00 0.00 57.50 60.43 1j3s n TRP 59 Cb 0.48 -2.69 0.00 0.00 -1.03 0.00 0.00 31.31 28.07 1j3s n TRP 59 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j3s n GLY 60 N 5.88 6.05 0.07 6.99 0.00 -1.26 -2.80 105.19 120.11 1j3s n GLY 60 Ca 0.33 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.72 1j3s n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j3s h GLU 61 N 0.00 -0.10 -0.45 1.61 4.81 -1.99 -2.82 114.58 115.64 1j3s h GLU 61 Ca 0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1j3s h GLU 61 Cb 0.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1j3s h GLU 61 CO 0.00 -0.06 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.66 1j3s h ASP 62 N -0.68 0.82 -0.51 1.04 3.32 -1.98 -2.33 116.42 116.09 1j3s h ASP 62 Ca -0.01 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1j3s h ASP 62 Cb 0.08 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1j3s h ASP 62 CO 0.02 0.95 0.32 0.71 -1.72 0.00 0.00 179.24 179.52 1j3s h THR 63 N 0.74 1.10 -0.25 0.35 1.35 -1.86 -1.85 112.91 112.50 1j3s h THR 63 Ca 0.12 -0.23 -0.09 0.00 -0.55 0.00 0.00 66.41 65.67 1j3s h THR 63 Cb 0.61 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1j3s h THR 63 CO 0.04 0.12 -0.22 0.25 -0.25 0.00 0.00 175.52 175.46 1j3s h LEU 64 N 0.66 0.45 -1.16 3.87 6.46 -1.34 -2.57 115.31 121.67 1j3s h LEU 64 Ca 0.20 -0.14 0.13 0.00 -0.12 0.00 0.00 57.88 57.95 1j3s h LEU 64 Cb -0.04 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 39.69 1j3s h LEU 64 CO -0.06 0.68 0.60 -0.03 -0.62 0.00 0.00 178.44 179.01 1j3s h MET 65 N 0.41 0.80 0.37 1.25 4.05 -0.78 0.68 114.93 121.71 1j3s h MET 65 Ca 0.06 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1j3s h MET 65 Cb 0.61 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1j3s h MET 65 CO 0.04 0.53 -0.18 1.49 0.23 0.00 0.00 176.91 179.02 1j3s h GLU 66 N 0.82 -0.48 0.00 0.39 4.57 -1.22 -1.22 114.58 117.44 1j3s h GLU 66 Ca 0.47 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1j3s h GLU 66 Cb 0.62 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1j3s h GLU 66 CO -0.23 -0.32 0.25 -0.92 -1.18 0.00 0.00 179.01 176.60 1j3s h TYR 67 N -1.06 0.00 0.01 0.92 3.20 -1.34 0.21 116.97 118.92 1j3s h TYR 67 Ca -0.05 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.51 1j3s h TYR 67 Cb 0.39 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1j3s h TYR 67 CO 0.01 0.00 -1.78 -0.11 -1.64 0.00 0.00 178.16 174.64 1j3s n LEU 68 N -2.56 1.05 0.27 2.82 7.94 0.21 -2.10 117.00 124.63 1j3s n LEU 68 Ca -0.02 0.37 0.12 0.00 -1.11 0.00 0.00 56.01 55.38 1j3s n LEU 68 Cb 0.29 0.03 0.79 0.00 0.53 0.00 0.00 43.42 45.06 1j3s n LEU 68 CO 0.11 0.45 1.11 -0.08 -1.11 0.00 0.00 177.39 177.87 1j3s h GLU 69 N 0.01 0.00 -0.11 1.96 4.57 0.68 -3.32 114.58 118.37 1j3s h GLU 69 Ca -0.32 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.12 1j3s h GLU 69 Cb 2.03 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 30.43 1j3s h GLU 69 CO 0.08 0.00 0.07 0.54 -1.18 0.00 0.00 179.01 178.51 1j3s s ASN 70 N -6.52 -0.18 0.06 1.04 6.03 -1.09 -3.21 114.94 111.07 1j3s s ASN 70 Ca -0.05 0.03 -0.15 0.00 -1.03 0.00 0.00 52.86 51.65 1j3s s ASN 70 Cb 0.16 1.12 -0.25 0.00 -3.03 0.00 0.00 41.25 39.25 1j3s s ASN 70 CO 0.60 -0.03 1.15 1.55 -2.03 0.00 0.00 177.10 178.34 1j3s h PRO 71 N 7.17 0.64 0.00 3.55 0.13 -1.64 -1.22 132.00 140.62 1j3s h PRO 71 Ca -0.11 -0.73 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1j3s h PRO 71 Cb 1.17 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1j3s h PRO 71 CO -0.15 1.31 0.00 1.17 -0.23 0.00 0.00 178.00 180.10 1j3s n LYS 72 N -3.90 0.09 -0.10 0.86 3.00 -1.26 -1.84 118.16 115.00 1j3s n LYS 72 Ca -0.12 0.31 -0.13 0.00 -0.00 0.00 0.00 58.31 58.37 1j3s n LYS 72 Cb 0.87 -1.67 -0.12 0.00 0.00 0.00 0.00 35.03 34.12 1j3s n LYS 72 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1j3s n LYS 73 N -1.84 0.79 0.00 1.64 -0.00 -1.18 -4.58 118.16 113.00 1j3s n LYS 73 Ca 0.03 0.07 -0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1j3s n LYS 73 Cb 0.21 -1.46 -0.00 0.00 -0.00 0.00 0.00 35.03 33.78 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 0.00 -0.01 -3.57 5.58 3.20 -1.12 -3.42 116.97 117.63 1j3s h TYR 74 Ca -0.50 -0.00 -0.68 0.00 3.14 0.00 0.00 58.73 60.69 1j3s h TYR 74 Cb 1.93 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 40.03 1j3s h TYR 74 CO 0.02 -0.01 -0.11 0.42 -1.64 0.00 0.00 178.16 176.83 1j3s s ILE 75 N -1.38 5.02 -1.32 1.81 -1.09 -0.77 -4.97 121.20 118.50 1j3s s ILE 75 Ca -0.00 -0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.14 1j3s s ILE 75 Cb 0.00 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1j3s s ILE 75 CO 0.01 -0.41 2.16 -0.81 -1.23 0.00 0.00 174.94 174.66 1j3s n PRO 76 N 5.76 2.59 0.00 2.79 -0.04 -1.26 -3.52 135.00 141.32 1j3s n PRO 76 Ca -0.06 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1j3s n PRO 76 Cb 0.48 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 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 4.21 0.03 3.18 0.55 0.00 -1.26 -4.89 105.19 107.02 1j3s n GLY 77 Ca 0.51 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.53 0.14 0.57 2.61 5.66 -1.23 -4.89 114.28 116.62 1j3s n THR 78 Ca 0.00 -0.40 0.07 0.00 -3.05 0.00 0.00 64.05 60.67 1j3s n THR 78 Cb 0.00 -0.25 0.02 0.00 -1.55 0.00 0.00 70.33 68.55 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 0.88 1.49 -3.09 1.09 5.02 -1.26 -4.93 118.16 117.36 1j3s n LYS 79 Ca 0.02 -0.95 -0.40 0.00 -2.02 0.00 0.00 58.31 54.96 1j3s n LYS 79 Cb 0.54 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.43 4.18 -0.75 1.97 0.23 -1.26 -4.93 119.30 117.31 1j3s s MET 80 Ca 0.13 0.63 -0.02 0.00 -1.03 0.00 0.00 55.69 55.40 1j3s s MET 80 Cb 0.11 -3.61 0.37 0.00 -1.53 0.00 0.00 34.83 30.17 1j3s s MET 80 CO 0.26 -0.32 2.07 -0.89 -2.03 0.00 0.00 175.02 174.11 1j3s n ILE 81 N 4.91 3.58 -1.73 3.16 -0.00 -1.26 -4.43 119.36 123.59 1j3s n ILE 81 Ca -0.00 -3.65 -0.38 0.00 -0.00 0.00 0.00 62.75 58.72 1j3s n ILE 81 Cb 0.49 -1.23 0.05 0.00 -0.00 0.00 0.00 39.64 38.96 1j3s n ILE 81 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1j3s n PHE 82 N -0.59 2.08 -3.21 1.39 -0.00 -1.26 -4.97 117.46 110.90 1j3s n PHE 82 Ca 0.56 0.43 -0.38 0.00 -0.00 0.00 0.00 57.45 58.07 1j3s n PHE 82 Cb 0.42 -2.32 -0.06 0.00 -0.00 0.00 0.00 39.48 37.52 1j3s n PHE 82 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1j3s s VAL 83 N -1.33 4.67 -0.09 -2.13 0.11 -1.26 -4.58 120.40 115.79 1j3s s VAL 83 Ca 0.76 1.23 -0.30 0.00 -2.93 0.00 0.00 61.98 60.74 1j3s s VAL 83 Cb -0.40 -3.89 -0.04 0.00 -1.53 0.00 0.00 36.38 30.51 1j3s s VAL 83 CO 0.46 0.43 1.52 -0.83 -3.33 0.00 0.00 175.10 173.34 1j3s s GLY 84 N -1.33 1.58 0.16 6.54 0.00 -1.20 -4.87 107.32 108.20 1j3s s GLY 84 Ca 0.34 0.77 -0.32 0.00 0.00 0.00 0.00 44.72 45.52 1j3s s GLY 84 CO 0.20 2.85 1.69 -0.42 0.00 0.00 0.00 173.10 177.42 1j3s s ILE 85 N 3.84 2.43 -0.36 0.90 1.09 -1.26 -4.86 121.20 122.97 1j3s s ILE 85 Ca 0.67 0.21 -0.00 0.00 -1.10 0.00 0.00 60.65 60.43 1j3s s ILE 85 Cb -0.29 -3.14 0.31 0.00 -1.06 0.00 0.00 42.46 38.28 1j3s s ILE 85 CO 0.24 0.01 1.88 0.29 -0.10 0.00 0.00 174.94 177.27 1j3s n LYS 86 N 4.50 1.94 -3.61 2.79 4.76 -1.26 -4.78 118.16 122.50 1j3s n LYS 86 Ca 0.16 -1.93 -0.18 0.00 -2.87 0.00 0.00 58.31 53.48 1j3s n LYS 86 Cb 0.37 -1.76 -0.15 0.00 -1.84 0.00 0.00 35.03 31.66 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1j3s s LYS 87 N -2.22 0.09 0.49 1.97 2.20 -1.26 -5.00 119.74 116.02 1j3s s LYS 87 Ca 0.38 0.39 0.23 0.00 -0.36 0.00 0.00 55.97 56.61 1j3s s LYS 87 Cb 0.30 -0.73 1.29 0.00 -1.51 0.00 0.00 37.83 37.18 1j3s s LYS 87 CO 0.02 -0.46 2.03 -0.22 -0.36 0.00 0.00 175.35 176.36 1j3s h LYS 88 N 8.35 0.00 -0.06 4.03 1.63 -2.01 -2.68 116.57 125.83 1j3s h LYS 88 Ca -0.15 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.51 1j3s h LYS 88 Cb 1.13 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1j3s h LYS 88 CO 0.20 0.15 -0.53 0.93 -3.45 0.00 0.00 179.45 176.76 1j3s h GLU 89 N 0.00 0.47 -0.91 1.90 5.08 -1.99 -2.60 114.58 116.53 1j3s h GLU 89 Ca -0.00 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1j3s h GLU 89 Cb 0.37 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1j3s h GLU 89 CO 0.02 1.06 0.60 1.49 -1.00 0.00 0.00 179.01 181.18 1j3s h GLU 90 N 0.02 1.16 -0.17 2.33 4.81 -1.90 -1.63 114.58 119.21 1j3s h GLU 90 Ca -0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1j3s h GLU 90 Cb 1.20 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1j3s h GLU 90 CO 0.11 0.77 0.02 0.00 -0.73 0.00 0.00 179.01 179.17 1j3s h ARG 91 N 1.20 0.28 -0.83 1.92 3.08 -1.50 -1.78 114.38 116.75 1j3s h ARG 91 Ca 0.35 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.43 1j3s h ARG 91 Cb -0.08 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 1j3s h ARG 91 CO -0.09 0.47 0.54 0.00 -1.07 0.00 0.00 179.97 179.82 1j3s h ALA 92 N 0.80 1.83 -0.01 0.04 0.00 -1.02 0.17 119.26 121.07 1j3s h ALA 92 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1j3s h ALA 92 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j3s h ALA 92 CO 0.01 -0.02 -0.55 -0.44 0.00 0.00 0.00 179.25 178.24 1j3s h ASP 93 N 0.68 0.05 0.62 0.00 5.19 -0.93 0.15 116.42 122.18 1j3s h ASP 93 Ca 0.40 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.75 1j3s h ASP 93 Cb 0.60 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.10 1j3s h ASP 93 CO -0.16 0.59 -0.30 -0.07 -3.12 0.00 0.00 179.24 176.18 1j3s h LEU 94 N 0.03 -0.70 -1.45 1.55 3.38 0.20 -2.07 115.31 116.25 1j3s h LEU 94 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1j3s h LEU 94 Cb 0.98 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1j3s h LEU 94 CO 0.07 -0.34 -0.28 0.40 0.09 0.00 0.00 178.44 178.38 1j3s h ILE 95 N -1.10 1.11 -0.87 1.22 1.08 -1.45 -2.60 117.51 114.90 1j3s h ILE 95 Ca -0.08 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1j3s h ILE 95 Cb 0.68 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 1j3s h ILE 95 CO 0.14 0.27 0.49 0.00 -0.69 0.00 0.00 178.15 178.36 1j3s h ALA 96 N 1.72 1.11 0.10 1.87 0.00 -0.81 0.64 119.26 123.89 1j3s h ALA 96 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1j3s h ALA 96 Cb 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j3s h ALA 96 CO 0.04 0.61 -0.05 -0.92 0.00 0.00 0.00 179.25 178.92 1j3s h TYR 97 N 1.21 -0.13 0.00 0.00 3.20 -1.01 -2.61 116.97 117.63 1j3s h TYR 97 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1j3s h TYR 97 Cb 0.01 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1j3s h TYR 97 CO 0.01 0.38 0.00 -0.07 -1.64 0.00 0.00 178.16 176.84 1j3s h LEU 98 N -0.79 0.00 0.04 2.82 -0.00 -1.40 -1.67 115.31 114.31 1j3s h LEU 98 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.75 1j3s h LEU 98 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1j3s h LEU 98 CO 0.02 0.00 -0.60 0.11 -0.00 0.00 0.00 178.44 177.97 1j3s h LYS 99 N 0.00 0.09 -0.32 1.13 1.57 -0.76 -1.34 116.57 116.94 1j3s h LYS 99 Ca 0.00 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1j3s h LYS 99 Cb 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1j3s h LYS 99 CO 0.00 1.08 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.72 1j3s h LYS 100 N -0.78 0.50 0.00 3.15 3.11 -1.03 2.08 116.57 123.61 1j3s h LYS 100 Ca -0.14 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1j3s h LYS 100 Cb 1.29 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1j3s h LYS 100 CO -0.00 0.54 -0.00 0.00 -2.81 0.00 0.00 179.45 177.18 1j3s h ALA 101 N 1.51 -0.00 -0.77 5.00 0.00 -1.43 -3.37 119.26 120.20 1j3s h ALA 101 Ca 0.10 -0.50 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 1j3s h ALA 101 Cb 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 17.79 17.70 1j3s h ALA 101 CO 0.01 -0.00 -0.82 -2.37 0.00 0.00 0.00 179.25 176.07 1j3s n THR 102 N -4.61 2.51 -2.59 0.00 5.66 -0.50 -4.69 114.28 110.05 1j3s n THR 102 Ca -0.10 -4.23 -0.01 0.00 -3.05 0.00 0.00 64.05 56.66 1j3s n THR 102 Cb 0.48 -1.11 0.08 0.00 -1.55 0.00 0.00 70.33 68.22 1j3s n THR 102 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1j3s n ASN 103 N -0.70 -0.88 0.00 1.09 2.85 0.70 -4.80 115.26 113.52 1j3s n ASN 103 Ca 0.43 -1.73 0.00 0.00 -0.11 0.00 0.00 54.58 53.18 1j3s n ASN 103 Cb 0.96 0.41 0.00 0.00 1.24 0.00 0.00 39.78 42.39 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36