#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 2.44 0.38 1.61 1.01 -1.26 -5.00 116.67 115.85 1j3s s ASP 2 Ca 0.00 -0.63 0.08 0.00 0.71 0.00 0.00 52.55 52.72 1j3s s ASP 2 Cb 0.00 -0.37 0.82 0.00 1.01 0.00 0.00 42.92 44.38 1j3s s ASP 2 CO 0.00 -0.32 1.94 1.62 0.21 0.00 0.00 175.17 178.62 1j3s h VAL 3 N 6.45 0.95 -0.89 -1.27 3.04 -1.98 -0.08 116.25 122.46 1j3s h VAL 3 Ca -0.15 -0.23 0.15 0.00 -1.01 0.00 0.00 66.70 65.46 1j3s h VAL 3 Cb 1.14 0.22 -0.07 0.00 -2.01 0.00 0.00 31.29 30.57 1j3s h VAL 3 CO 0.30 0.12 0.58 -0.33 -1.01 0.00 0.00 177.57 177.23 1j3s h GLU 4 N 0.67 0.63 -0.03 4.17 5.08 -2.01 -1.59 114.58 121.49 1j3s h GLU 4 Ca 0.34 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1j3s h GLU 4 Cb 0.43 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1j3s h GLU 4 CO -0.12 0.41 -0.45 0.87 -1.00 0.00 0.00 179.01 178.73 1j3s h LYS 5 N 0.64 0.35 -0.86 2.33 1.79 -1.43 -3.07 116.57 116.33 1j3s h LYS 5 Ca 0.45 -0.34 0.15 0.00 -2.18 0.00 0.00 60.65 58.73 1j3s h LYS 5 Cb 0.80 0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 31.38 1j3s h LYS 5 CO -0.21 1.01 -0.32 0.78 -1.08 0.00 0.00 179.45 179.64 1j3s h GLY 6 N -0.18 0.23 1.39 3.86 0.00 -0.96 0.78 103.07 108.20 1j3s h GLY 6 Ca -0.05 0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1j3s h GLY 6 CO 0.09 -0.25 0.07 1.70 0.00 0.00 0.00 176.54 178.15 1j3s h LYS 7 N -0.04 0.76 0.00 4.80 3.64 -1.58 -1.74 116.57 122.41 1j3s h LYS 7 Ca 0.35 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1j3s h LYS 7 Cb 0.60 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1j3s h LYS 7 CO -0.89 0.72 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.75 1j3s h LYS 8 N 0.72 0.00 0.00 1.90 1.63 0.63 -0.93 116.57 120.52 1j3s h LYS 8 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1j3s h LYS 8 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1j3s h LYS 8 CO 0.01 0.04 -0.03 0.82 -3.45 0.00 0.00 179.45 176.84 1j3s h ILE 9 N 0.00 0.00 -1.00 2.00 1.08 -0.25 -2.78 117.51 116.56 1j3s h ILE 9 Ca -0.00 -0.20 0.28 0.00 -0.39 0.00 0.00 64.86 64.55 1j3s h ILE 9 Cb 0.16 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.86 1j3s h ILE 9 CO 0.01 0.00 0.70 0.15 -0.69 0.00 0.00 178.15 178.32 1j3s h PHE 10 N -0.20 0.16 -0.37 1.37 3.57 -1.54 1.28 116.94 121.22 1j3s h PHE 10 Ca 0.00 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1j3s h PHE 10 Cb 0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1j3s h PHE 10 CO -0.01 0.02 -0.36 0.97 -2.23 0.00 0.00 178.31 176.71 1j3s h ILE 11 N 0.11 1.28 -0.40 1.41 2.10 -1.29 1.50 117.51 122.21 1j3s h ILE 11 Ca 0.50 -1.53 -0.21 0.00 1.08 0.00 0.00 64.86 64.70 1j3s h ILE 11 Cb 1.78 1.42 -0.12 0.00 -1.09 0.00 0.00 36.82 38.80 1j3s h ILE 11 CO -0.07 0.51 -0.02 0.80 -1.08 0.00 0.00 178.15 178.29 1j3s n MET 12 N -4.11 1.90 0.00 2.19 1.56 0.14 -4.06 117.12 114.74 1j3s n MET 12 Ca -0.03 -3.17 0.00 0.00 -0.27 0.00 0.00 57.70 54.23 1j3s n MET 12 Cb 0.53 -1.85 0.00 0.00 2.15 0.00 0.00 33.22 34.05 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 -1.11 0.00 -0.33 2.12 3.00 0.39 -4.95 118.16 117.29 1j3s n LYS 13 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1j3s n LYS 13 Cb 1.09 -0.48 0.00 0.00 0.00 0.00 0.00 35.03 35.64 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 0.00 1.03 -0.13 0.00 2.88 0.51 -0.91 113.62 116.99 1j3s n SER 15 Ca 0.00 -1.85 -0.22 0.00 -1.33 0.00 0.00 58.87 55.47 1j3s n SER 15 Cb 0.59 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.00 0.63 -0.07 -1.46 6.02 -1.26 -4.43 117.38 116.81 1j3s n GLN 16 Ca 0.10 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1j3s n GLN 16 Cb 0.19 -1.51 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.53 3.79 -0.98 0.00 3.76 -0.09 0.24 115.29 119.48 1j3s s HIS 18 Ca -0.14 -2.75 -0.24 0.00 -0.15 0.00 0.00 55.06 51.78 1j3s s HIS 18 Cb 0.07 -3.39 0.04 0.00 1.11 0.00 0.00 32.58 30.41 1j3s s HIS 18 CO 0.78 -0.83 1.44 0.95 -0.85 0.00 0.00 174.74 176.23 1j3s s THR 19 N -0.77 3.88 -2.04 1.30 -4.23 -1.26 -4.23 115.64 108.29 1j3s s THR 19 Ca 0.24 -0.59 0.09 0.00 -1.18 0.00 0.00 61.69 60.25 1j3s s THR 19 Cb -0.12 -5.01 0.25 0.00 1.34 0.00 0.00 72.50 68.96 1j3s s THR 19 CO -0.09 -1.90 1.26 1.33 -0.54 0.00 0.00 174.62 174.68 1j3s n VAL 20 N 6.85 0.22 -2.17 2.29 0.24 -1.26 -3.79 118.33 120.71 1j3s n VAL 20 Ca 0.29 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1j3s n VAL 20 Cb 0.51 0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.01 0.00 -0.09 7.34 1.02 -1.26 -4.78 120.64 122.86 1j3s n GLU 21 Ca 0.09 -1.19 -0.11 0.00 -0.02 0.00 0.00 57.16 55.93 1j3s n GLU 21 Cb 0.17 -0.10 -0.04 0.00 -0.02 0.00 0.00 31.44 31.45 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3s n LYS 22 N 0.17 0.52 0.00 3.49 4.81 -1.25 -5.01 118.16 120.89 1j3s n LYS 22 Ca -0.02 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1j3s n LYS 22 Cb 0.82 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.35 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3s n GLY 23 N 1.48 -0.80 1.84 3.14 0.00 -1.26 -4.89 105.19 104.69 1j3s n GLY 23 Ca -0.18 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 1.04 3.32 -0.02 0.00 -1.26 -4.84 105.19 103.43 1j3s n GLY 24 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.93 3.99 0.43 1.61 2.20 -1.26 -4.99 119.74 118.80 1j3s s LYS 25 Ca 0.00 -3.04 -0.21 0.00 -0.36 0.00 0.00 55.97 52.36 1j3s s LYS 25 Cb 0.00 -4.48 -0.11 0.00 -1.51 0.00 0.00 37.83 31.73 1j3s s LYS 25 CO 0.00 -1.25 0.95 -3.38 -0.36 0.00 0.00 175.35 171.31 1j3s s HIS 26 N -0.93 3.30 0.00 4.03 -3.43 -1.26 -4.82 115.29 112.18 1j3s s HIS 26 Ca 0.27 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 1j3s s HIS 26 Cb -0.10 -2.86 0.00 0.00 -1.43 0.00 0.00 32.58 28.19 1j3s s HIS 26 CO -0.08 -0.14 0.00 1.63 -2.00 0.00 0.00 174.74 174.15 1j3s n LYS 27 N -0.67 0.00 0.11 -0.38 4.76 -1.26 -4.90 118.16 115.82 1j3s n LYS 27 Ca 0.07 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1j3s n LYS 27 Cb 0.54 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 34.05 1j3s n LYS 27 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1j3s h THR 28 N 0.00 0.00 -3.94 -0.18 2.02 -1.85 -3.45 112.91 105.51 1j3s h THR 28 Ca 0.00 -0.56 -0.36 0.00 0.77 0.00 0.00 66.41 66.25 1j3s h THR 28 Cb 0.00 1.47 -0.21 0.00 -1.74 0.00 0.00 68.15 67.66 1j3s h THR 28 CO 0.00 0.00 -0.76 -0.83 0.37 0.00 0.00 175.52 174.30 1j3s s GLY 29 N -3.69 0.75 0.18 2.16 0.00 0.14 -4.91 107.32 101.94 1j3s s GLY 29 Ca 0.09 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.56 1j3s s GLY 29 CO 0.64 -0.97 1.46 2.56 0.00 0.00 0.00 173.10 176.78 1j3s s PRO 30 N -1.74 4.27 -0.57 2.90 0.04 -1.26 -4.51 135.00 134.14 1j3s s PRO 30 Ca -0.04 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 1j3s s PRO 30 Cb -0.10 -3.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1j3s s PRO 30 CO 0.02 -0.48 2.43 -1.71 0.04 0.00 0.00 177.00 177.29 1j3s n ASN 31 N 3.41 1.84 -1.72 6.66 4.05 -1.26 -4.68 115.26 123.57 1j3s n ASN 31 Ca 0.11 -0.10 -0.06 0.00 0.45 0.00 0.00 54.58 54.97 1j3s n ASN 31 Cb 0.40 -1.35 -0.03 0.00 1.23 0.00 0.00 39.78 40.03 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 13.06 5.55 -3.29 1.20 4.32 -1.26 -4.63 117.00 131.95 1j3s n LEU 32 Ca 0.45 -2.80 -0.38 0.00 -0.02 0.00 0.00 56.01 53.26 1j3s n LEU 32 Cb 0.35 -1.19 -0.02 0.00 -1.62 0.00 0.00 43.42 40.94 1j3s n LEU 32 CO 0.77 1.23 2.38 1.57 -1.22 0.00 0.00 177.39 182.13 1j3s n HIS 33 N 1.51 2.38 0.00 -1.77 -0.00 -1.26 -3.98 115.22 112.11 1j3s n HIS 33 Ca 0.16 -2.70 0.00 0.00 0.46 0.00 0.00 57.72 55.64 1j3s n HIS 33 Cb 0.61 -1.84 0.00 0.00 -0.12 0.00 0.00 29.99 28.64 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 1.82 1.42 0.34 1.57 0.00 -1.26 -4.99 105.19 104.08 1j3s n GLY 34 Ca 0.62 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.82 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 0.00 -9.66 0.99 5.85 -1.85 -3.37 115.31 107.27 1j3s h LEU 35 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1j3s h LEU 35 Cb 0.00 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.06 1j3s h LEU 35 CO 0.00 0.00 0.62 -0.36 -0.34 0.00 0.00 178.44 178.36 1j3s s PHE 36 N -4.32 3.32 -0.06 1.25 0.40 -1.26 -2.29 117.98 115.01 1j3s s PHE 36 Ca -0.04 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 1j3s s PHE 36 Cb 0.12 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 40.12 1j3s s PHE 36 CO 0.42 -1.63 0.00 0.41 0.70 0.00 0.00 175.22 175.12 1j3s n GLY 37 N 2.35 0.27 3.04 4.36 0.00 -1.17 -4.96 105.19 109.09 1j3s n GLY 37 Ca 0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.22 2.43 0.90 1.61 3.52 -0.97 -5.01 118.95 120.22 1j3s s ARG 38 Ca 0.00 -0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 1j3s s ARG 38 Cb 0.00 -2.19 0.13 0.00 -1.56 0.00 0.00 34.95 31.34 1j3s s ARG 38 CO 0.00 -0.22 1.11 -1.59 -0.81 0.00 0.00 175.30 173.79 1j3s s LYS 39 N 1.42 1.19 1.22 5.12 -2.85 -1.26 -4.12 119.74 120.46 1j3s s LYS 39 Ca 0.04 1.27 -0.19 0.00 -1.00 0.00 0.00 55.97 56.10 1j3s s LYS 39 Cb -0.13 -1.77 0.29 0.00 -2.06 0.00 0.00 37.83 34.17 1j3s s LYS 39 CO -0.11 -2.42 1.06 -0.08 0.10 0.00 0.00 175.35 173.91 1j3s s THR 40 N -2.74 1.60 -0.22 3.79 -1.32 -1.26 -4.69 115.64 110.80 1j3s s THR 40 Ca 0.65 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 61.05 1j3s s THR 40 Cb -0.21 -2.37 0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1j3s s THR 40 CO 0.58 0.00 0.15 0.61 -2.21 0.00 0.00 174.62 173.75 1j3s n GLY 41 N -0.36 -4.85 2.20 6.08 0.00 -1.26 -4.85 105.19 102.14 1j3s n GLY 41 Ca 0.11 1.26 0.00 0.00 0.00 0.00 0.00 46.02 47.39 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 1.27 0.00 -1.65 1.61 -0.06 -1.26 -5.10 117.38 112.19 1j3s n GLN 42 Ca -0.26 0.00 -0.48 0.00 -2.00 0.00 0.00 57.00 54.26 1j3s n GLN 42 Cb 0.41 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.54 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 -3.37 0.67 -1.79 1.69 0.00 -1.26 -4.93 120.51 111.52 1j3s n ALA 43 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 1j3s n ALA 43 Cb 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 1j3s n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3s s PRO 44 N 0.85 4.51 0.00 0.00 0.04 -1.26 -3.78 135.00 135.35 1j3s s PRO 44 Ca 0.81 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1j3s s PRO 44 Cb -0.76 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1j3s s PRO 44 CO 0.41 0.21 0.00 0.41 0.04 0.00 0.00 177.00 178.07 1j3s n GLY 45 N 0.40 1.84 3.62 0.56 0.00 -1.26 -4.92 105.19 105.43 1j3s n GLY 45 Ca 0.03 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.09 3.03 -1.27 1.61 6.14 -1.25 -4.93 117.35 120.59 1j3s s TYR 46 Ca 0.00 0.92 -0.18 0.00 0.64 0.00 0.00 57.07 58.44 1j3s s TYR 46 Cb 0.00 -3.91 0.02 0.00 0.42 0.00 0.00 41.96 38.49 1j3s s TYR 46 CO 0.00 -0.94 1.88 0.45 0.64 0.00 0.00 175.55 177.58 1j3s n SER 47 N 7.14 4.22 -3.70 4.32 2.88 -1.26 -4.73 113.62 122.49 1j3s n SER 47 Ca 0.11 -2.85 -0.16 0.00 -1.33 0.00 0.00 58.87 54.64 1j3s n SER 47 Cb 0.48 -1.69 0.10 0.00 -0.75 0.00 0.00 64.21 62.35 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1j3s n TYR 48 N 9.11 -1.96 -1.56 0.66 4.02 -1.26 -4.46 117.16 121.71 1j3s n TYR 48 Ca 0.49 0.22 -0.13 0.00 -0.01 0.00 0.00 57.90 58.47 1j3s n TYR 48 Cb 0.44 -1.39 -0.09 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 -3.97 0.00 -0.32 -0.72 -2.24 -1.26 -4.72 114.28 101.05 1j3s n THR 49 Ca 0.03 -0.33 0.16 0.00 -2.27 0.00 0.00 64.05 61.65 1j3s n THR 49 Cb 0.30 -1.97 0.36 0.00 -2.10 0.00 0.00 70.33 66.92 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 12.32 1.61 -0.03 6.98 0.00 -1.94 -1.65 119.26 136.55 1j3s h ALA 50 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1j3s h ALA 50 Cb 1.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1j3s h ALA 50 CO 1.01 -0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.79 1j3s h ALA 51 N 1.75 -0.47 -0.98 0.00 0.00 -1.89 0.14 119.26 117.81 1j3s h ALA 51 Ca 0.61 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.77 1j3s h ALA 51 Cb 1.22 0.68 -0.18 0.00 0.00 0.00 0.00 17.79 19.51 1j3s h ALA 51 CO -0.54 -0.50 -0.02 -0.97 0.00 0.00 0.00 179.25 177.22 1j3s h ASN 52 N -0.09 -0.55 -0.18 0.00 -0.00 -1.66 0.11 115.58 113.22 1j3s h ASN 52 Ca 0.01 0.28 0.03 0.00 -0.00 0.00 0.00 56.30 56.62 1j3s h ASN 52 Cb 0.11 0.51 -0.07 0.00 -0.00 0.00 0.00 38.32 38.87 1j3s h ASN 52 CO -0.08 -0.35 -0.55 0.50 -0.00 0.00 0.00 177.43 176.96 1j3s h LYS 53 N 0.01 -0.54 0.00 6.67 3.64 -0.66 0.27 116.57 125.97 1j3s h LYS 53 Ca 0.58 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1j3s h LYS 53 Cb 1.14 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1j3s h LYS 53 CO -0.93 -0.36 -0.01 -0.97 -2.27 0.00 0.00 179.45 174.91 1j3s h ASN 54 N -0.56 0.00 0.17 4.20 -1.24 -0.09 -1.76 115.58 116.29 1j3s h ASN 54 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1j3s h ASN 54 Cb 0.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.72 1j3s h ASN 54 CO -0.46 0.01 0.00 1.17 -1.29 0.00 0.00 177.43 176.86 1j3s n LYS 55 N -3.16 0.02 -3.73 6.67 3.00 0.96 -4.83 118.16 117.09 1j3s n LYS 55 Ca -0.02 0.35 -0.24 0.00 -0.00 0.00 0.00 58.31 58.41 1j3s n LYS 55 Cb 0.17 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 33.73 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 -0.89 -0.46 3.43 3.14 0.00 -0.66 -4.96 105.19 104.79 1j3s n GLY 56 Ca 0.02 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.69 3.03 -0.35 -0.61 -1.16 -1.26 -5.09 121.20 112.07 1j3s s ILE 57 Ca 0.12 -0.71 -0.15 0.00 -0.51 0.00 0.00 60.65 59.41 1j3s s ILE 57 Cb -0.04 -2.22 -0.01 0.00 0.61 0.00 0.00 42.46 40.81 1j3s s ILE 57 CO 0.84 0.56 0.34 -0.51 -2.81 0.00 0.00 174.94 173.36 1j3s s ILE 58 N -0.27 5.19 -0.33 2.00 -1.16 -1.26 -4.25 121.20 121.12 1j3s s ILE 58 Ca 0.02 -0.10 -0.32 0.00 -0.51 0.00 0.00 60.65 59.74 1j3s s ILE 58 Cb -0.13 -3.83 -0.09 0.00 0.61 0.00 0.00 42.46 39.03 1j3s s ILE 58 CO 0.03 -0.12 2.23 0.79 -2.81 0.00 0.00 174.94 175.06 1j3s n TRP 59 N 5.32 1.69 -3.32 3.50 5.03 -1.26 -4.82 117.44 123.59 1j3s n TRP 59 Ca -0.10 0.12 0.00 0.00 3.03 0.00 0.00 57.50 60.55 1j3s n TRP 59 Cb 0.49 -2.61 0.00 0.00 -1.03 0.00 0.00 31.31 28.16 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 6.24 5.58 0.11 6.99 0.00 -1.26 -3.03 105.19 119.82 1j3s n GLY 60 Ca 0.38 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.20 -0.64 1.61 5.08 -1.99 -2.73 114.58 115.72 1j3s h GLU 61 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1j3s h GLU 61 Cb 0.00 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1j3s h GLU 61 CO 0.00 -0.13 0.10 0.22 -1.00 0.00 0.00 179.01 178.20 1j3s h ASP 62 N -0.79 0.99 -0.83 1.42 3.58 -1.98 -1.61 116.42 117.19 1j3s h ASP 62 Ca -0.02 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.22 1j3s h ASP 62 Cb 0.16 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1j3s h ASP 62 CO 0.03 0.98 0.55 0.71 -2.88 0.00 0.00 179.24 178.64 1j3s h THR 63 N 0.97 1.18 0.01 2.25 1.35 -1.88 -1.97 112.91 114.83 1j3s h THR 63 Ca 0.20 -0.37 -0.20 0.00 -0.55 0.00 0.00 66.41 65.48 1j3s h THR 63 Cb 0.42 -0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 1j3s h THR 63 CO 0.01 0.20 -0.89 0.25 -0.25 0.00 0.00 175.52 174.84 1j3s h LEU 64 N 1.09 0.26 -1.05 3.87 6.46 -1.14 -2.93 115.31 121.87 1j3s h LEU 64 Ca 0.32 -0.21 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 1j3s h LEU 64 Cb -0.07 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 39.71 1j3s h LEU 64 CO -0.08 1.02 0.63 -0.03 -0.62 0.00 0.00 178.44 179.36 1j3s h MET 65 N 0.10 1.00 -0.01 1.25 4.05 -0.52 -0.09 114.93 120.72 1j3s h MET 65 Ca -0.05 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.28 1j3s h MET 65 Cb 1.53 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1j3s h MET 65 CO 0.14 0.66 -0.14 1.49 0.23 0.00 0.00 176.91 179.29 1j3s h GLU 66 N 1.03 0.10 0.00 0.39 4.81 -1.49 -1.75 114.58 117.68 1j3s h GLU 66 Ca 0.46 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1j3s h GLU 66 Cb 0.37 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1j3s h GLU 66 CO -0.22 0.84 0.02 -0.92 -0.73 0.00 0.00 179.01 178.00 1j3s h TYR 67 N -0.59 0.00 0.08 0.92 5.03 -1.26 -1.91 116.97 119.24 1j3s h TYR 67 Ca -0.02 0.00 -0.37 0.00 2.58 0.00 0.00 58.73 60.93 1j3s h TYR 67 Cb 0.88 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.13 1j3s h TYR 67 CO 0.18 0.00 -2.09 1.28 -1.32 0.00 0.00 178.16 176.21 1j3s n LEU 68 N -2.80 2.50 0.32 2.82 4.32 -0.08 -1.89 117.00 122.19 1j3s n LEU 68 Ca -0.02 0.14 0.20 0.00 -0.02 0.00 0.00 56.01 56.30 1j3s n LEU 68 Cb 0.08 -0.93 1.10 0.00 -1.62 0.00 0.00 43.42 42.05 1j3s n LEU 68 CO 0.16 0.83 1.16 -0.08 -1.22 0.00 0.00 177.39 178.24 1j3s h GLU 69 N 0.05 0.00 -0.39 3.23 4.81 -0.54 -3.38 114.58 118.36 1j3s h GLU 69 Ca -0.45 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.91 1j3s h GLU 69 Cb 2.01 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 31.21 1j3s h GLU 69 CO 0.05 0.00 -0.14 -0.80 -0.73 0.00 0.00 179.01 177.39 1j3s s ASN 70 N -5.56 -0.61 0.19 1.04 0.01 -0.93 -5.00 114.94 104.06 1j3s s ASN 70 Ca -0.05 -0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 1j3s s ASN 70 Cb 0.14 1.03 0.04 0.00 0.41 0.00 0.00 41.25 42.87 1j3s s ASN 70 CO 0.47 -0.09 1.42 1.55 -1.51 0.00 0.00 177.10 178.94 1j3s h PRO 71 N 6.45 0.05 0.00 -0.60 0.13 -1.56 -2.03 132.00 134.45 1j3s h PRO 71 Ca -0.04 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.87 1j3s h PRO 71 Cb 1.20 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1j3s h PRO 71 CO -0.04 0.85 -0.86 -0.22 -0.23 0.00 0.00 178.00 177.50 1j3s h LYS 72 N 0.03 0.00 0.14 0.86 3.64 -1.86 -2.26 116.57 117.12 1j3s h LYS 72 Ca -0.02 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1j3s h LYS 72 Cb 1.46 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.30 1j3s h LYS 72 CO 0.11 0.62 -0.92 1.57 -2.27 0.00 0.00 179.45 178.57 1j3s h LYS 73 N 0.00 0.30 0.13 1.90 2.10 -1.95 -3.35 116.57 115.70 1j3s h LYS 73 Ca -0.05 -0.51 -0.01 0.00 -2.00 0.00 0.00 60.65 58.09 1j3s h LYS 73 Cb 1.57 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 1j3s h LYS 73 CO 0.08 1.24 -0.06 -0.92 -2.00 0.00 0.00 179.45 177.79 1j3s h TYR 74 N -0.35 -0.16 -3.53 0.07 3.20 -1.48 -3.41 116.97 111.30 1j3s h TYR 74 Ca -0.17 -0.00 -0.71 0.00 3.14 0.00 0.00 58.73 60.99 1j3s h TYR 74 Cb 1.67 0.05 -0.20 0.00 1.54 0.00 0.00 36.73 39.80 1j3s h TYR 74 CO 0.19 -0.10 -0.33 0.42 -1.64 0.00 0.00 178.16 176.70 1j3s s ILE 75 N -2.29 5.18 -1.46 1.81 -1.09 -0.85 -4.97 121.20 117.53 1j3s s ILE 75 Ca -0.03 -0.49 -0.13 0.00 -2.23 0.00 0.00 60.65 57.77 1j3s s ILE 75 Cb 0.00 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1j3s s ILE 75 CO 0.08 -0.35 2.41 -0.81 -1.23 0.00 0.00 174.94 175.04 1j3s n PRO 76 N 5.37 3.00 0.00 2.79 -0.04 -1.26 -3.76 135.00 141.10 1j3s n PRO 76 Ca -0.09 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1j3s n PRO 76 Cb 0.47 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 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 3.97 -0.36 3.19 0.55 0.00 -1.26 -4.85 105.19 106.43 1j3s n GLY 77 Ca 0.59 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.09 0.00 -0.89 2.61 5.66 -1.25 -4.93 114.28 113.39 1j3s n THR 78 Ca 0.00 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1j3s n THR 78 Cb 0.00 -0.38 0.01 0.00 -1.55 0.00 0.00 70.33 68.41 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 -0.30 0.72 -2.54 1.09 4.76 -1.26 -4.90 118.16 115.74 1j3s n LYS 79 Ca 0.00 -0.86 -0.43 0.00 -2.87 0.00 0.00 58.31 54.15 1j3s n LYS 79 Cb 0.65 -0.65 -0.02 0.00 -1.84 0.00 0.00 35.03 33.16 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j3s s MET 80 N -0.34 4.18 -0.36 1.97 0.23 -1.26 -4.88 119.30 118.83 1j3s s MET 80 Ca 0.01 1.42 0.01 0.00 -1.03 0.00 0.00 55.69 56.11 1j3s s MET 80 Cb 0.01 -3.73 0.42 0.00 -1.53 0.00 0.00 34.83 29.99 1j3s s MET 80 CO 0.00 -0.76 1.77 1.51 -2.03 0.00 0.00 175.02 175.50 1j3s n ILE 81 N 5.54 2.73 -0.04 3.16 3.06 -1.26 -4.47 119.36 128.09 1j3s n ILE 81 Ca 0.13 -1.61 0.04 0.00 -2.50 0.00 0.00 62.75 58.81 1j3s n ILE 81 Cb 0.46 -0.84 0.41 0.00 0.54 0.00 0.00 39.64 40.21 1j3s n ILE 81 CO 0.00 0.00 0.00 0.15 -2.50 0.00 0.00 176.55 174.20 1j3s h PHE 82 N 1.02 0.56 -0.06 9.51 3.57 -1.96 -3.43 116.94 126.14 1j3s h PHE 82 Ca 0.44 0.01 -0.41 0.00 3.53 0.00 0.00 57.97 61.54 1j3s h PHE 82 Cb 1.84 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1j3s h PHE 82 CO 1.10 0.35 0.65 1.33 -2.23 0.00 0.00 178.31 179.50 1j3s n VAL 83 N -4.47 0.00 0.00 1.41 0.24 -1.26 -4.57 118.33 109.68 1j3s n VAL 83 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1j3s n VAL 83 Cb 0.09 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 3.68 0.00 4.00 7.63 0.00 -1.26 -5.17 105.19 114.08 1j3s n GLY 84 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 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 3.31 0.00 -0.61 1.09 -1.26 -5.02 121.20 118.70 1j3s s ILE 85 Ca 0.00 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.57 1j3s s ILE 85 Cb 0.00 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 1j3s s ILE 85 CO 0.00 -0.05 0.65 1.17 -0.10 0.00 0.00 174.94 176.61 1j3s n LYS 86 N -1.81 0.00 -3.61 2.79 4.81 -1.26 -5.11 118.16 113.97 1j3s n LYS 86 Ca 0.06 -0.63 -0.16 0.00 -0.87 0.00 0.00 58.31 56.71 1j3s n LYS 86 Cb 0.59 0.47 -0.14 0.00 0.02 0.00 0.00 35.03 35.97 1j3s n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1j3s s LYS 87 N 0.00 0.13 0.22 1.64 1.02 -1.26 -5.02 119.74 116.48 1j3s s LYS 87 Ca 0.00 0.55 -0.07 0.00 0.02 0.00 0.00 55.97 56.47 1j3s s LYS 87 Cb 0.00 -0.42 0.19 0.00 -0.52 0.00 0.00 37.83 37.08 1j3s s LYS 87 CO 0.00 -0.40 1.83 0.87 -0.92 0.00 0.00 175.35 176.73 1j3s h LYS 88 N 8.31 1.23 0.00 1.68 1.57 -2.01 -0.74 116.57 126.62 1j3s h LYS 88 Ca -0.15 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1j3s h LYS 88 Cb 1.13 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1j3s h LYS 88 CO 0.18 0.93 -0.01 1.05 -0.57 0.00 0.00 179.45 181.03 1j3s h GLU 89 N 1.22 0.00 0.11 3.15 4.11 -1.99 -2.02 114.58 119.17 1j3s h GLU 89 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 1j3s h GLU 89 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1j3s h GLU 89 CO -0.04 0.01 -0.05 1.49 0.07 0.00 0.00 179.01 180.49 1j3s h GLU 90 N 0.00 -0.15 -0.55 1.06 4.81 -1.55 -1.46 114.58 116.75 1j3s h GLU 90 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1j3s h GLU 90 Cb 0.04 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1j3s h GLU 90 CO 0.00 0.35 0.23 0.00 -0.73 0.00 0.00 179.01 178.86 1j3s h ARG 91 N -0.85 0.42 -0.33 1.92 -0.00 -1.26 -0.55 114.38 113.73 1j3s h ARG 91 Ca -0.02 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1j3s h ARG 91 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.42 1j3s h ARG 91 CO 0.03 0.28 0.21 0.00 0.00 0.00 0.00 179.97 180.48 1j3s h ALA 92 N 1.35 0.42 -0.19 0.04 0.00 -1.44 -1.03 119.26 118.41 1j3s h ALA 92 Ca 0.26 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1j3s h ALA 92 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j3s h ALA 92 CO -0.24 -0.09 0.15 -0.44 0.00 0.00 0.00 179.25 178.63 1j3s h ASP 93 N 0.44 0.00 -0.13 0.00 3.32 -0.26 -1.26 116.42 118.53 1j3s h ASP 93 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1j3s h ASP 93 Cb -0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1j3s h ASP 93 CO -0.02 0.00 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.41 1j3s h LEU 94 N 0.00 0.24 0.66 1.55 3.38 0.21 -1.99 115.31 119.36 1j3s h LEU 94 Ca 0.09 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1j3s h LEU 94 Cb 0.39 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1j3s h LEU 94 CO -0.00 0.53 -0.32 0.40 0.09 0.00 0.00 178.44 179.14 1j3s h ILE 95 N -0.05 0.10 -0.95 1.22 1.08 -0.96 -2.10 117.51 115.85 1j3s h ILE 95 Ca 0.03 -0.32 0.29 0.00 -0.39 0.00 0.00 64.86 64.48 1j3s h ILE 95 Cb 0.42 0.14 -0.15 0.00 -3.07 0.00 0.00 36.82 34.15 1j3s h ILE 95 CO 0.01 0.01 0.40 0.00 -0.69 0.00 0.00 178.15 177.88 1j3s h ALA 96 N -1.10 1.66 0.16 1.87 0.00 -1.34 0.70 119.26 121.20 1j3s h ALA 96 Ca -0.09 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1j3s h ALA 96 Cb 0.71 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1j3s h ALA 96 CO 0.15 -0.57 -0.08 -0.92 0.00 0.00 0.00 179.25 177.83 1j3s h TYR 97 N 0.22 -0.20 0.00 0.00 3.20 -1.23 -2.02 116.97 116.94 1j3s h TYR 97 Ca 0.67 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.53 1j3s h TYR 97 Cb 1.48 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.82 1j3s h TYR 97 CO -0.15 0.08 0.00 1.28 -1.64 0.00 0.00 178.16 177.73 1j3s n LEU 98 N -5.07 0.00 -0.02 2.82 7.99 0.17 -1.41 117.00 121.48 1j3s n LEU 98 Ca -0.09 0.02 0.01 0.00 -0.01 0.00 0.00 56.01 55.94 1j3s n LEU 98 Cb 0.20 -0.02 -0.13 0.00 -0.11 0.00 0.00 43.42 43.36 1j3s n LEU 98 CO 0.33 -0.00 -0.67 1.17 -1.51 0.00 0.00 177.39 176.70 1j3s n LYS 99 N -1.02 0.65 -0.07 3.23 4.81 0.22 -3.71 118.16 122.28 1j3s n LYS 99 Ca 0.18 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.56 1j3s n LYS 99 Cb 0.09 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.42 1j3s n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3s n LYS 100 N -2.66 1.00 -0.06 1.64 5.02 -0.82 -2.88 118.16 119.41 1j3s n LYS 100 Ca -0.15 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 1j3s n LYS 100 Cb 0.84 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3s h ALA 101 N 0.20 0.35 -1.07 7.82 0.00 -1.47 -3.37 119.26 121.73 1j3s h ALA 101 Ca -0.32 -0.51 -0.40 0.00 0.00 0.00 0.00 54.91 53.67 1j3s h ALA 101 Cb 1.58 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.92 1j3s h ALA 101 CO -0.03 0.57 -1.10 0.25 0.00 0.00 0.00 179.25 178.94 1j3s n THR 102 N -4.09 1.28 -2.02 0.00 -2.24 -1.25 -4.83 114.28 101.13 1j3s n THR 102 Ca -0.06 -3.41 -0.00 0.00 -2.27 0.00 0.00 64.05 58.30 1j3s n THR 102 Cb 0.62 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.17 -0.11 -0.52 3.42 5.15 -1.24 -4.19 115.26 117.59 1j3s n ASN 103 Ca 0.15 -0.64 0.14 0.00 -0.60 0.00 0.00 54.58 53.63 1j3s n ASN 103 Cb 0.79 0.05 0.49 0.00 -0.53 0.00 0.00 39.78 40.58 1j3s n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04