#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nbs s ASP 2 N 0.00 6.19 0.16 1.61 -1.08 -1.26 -4.98 116.67 117.32 3nbs s ASP 2 Ca 0.00 -0.86 -0.16 0.00 -0.52 0.00 0.00 52.55 51.02 3nbs s ASP 2 Cb 0.00 -2.23 0.08 0.00 -1.46 0.00 0.00 42.92 39.31 3nbs s ASP 2 CO 0.00 -0.68 1.75 0.58 0.52 0.00 0.00 175.17 177.34 3nbs h VAL 3 N 5.77 0.88 -0.65 1.11 2.07 -2.05 -1.42 116.25 121.95 3nbs h VAL 3 Ca -0.27 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3nbs h VAL 3 Cb 1.11 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3nbs h VAL 3 CO 0.86 0.05 0.38 -0.08 0.02 0.00 0.00 177.57 178.80 3nbs h GLU 4 N 0.29 0.71 -0.22 1.57 4.81 -2.00 0.35 114.58 120.08 3nbs h GLU 4 Ca 0.18 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3nbs h GLU 4 Cb 0.16 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3nbs h GLU 4 CO -0.18 0.47 -0.45 0.87 -0.73 0.00 0.00 179.01 178.99 3nbs h LYS 5 N 0.73 0.55 -0.67 1.92 1.57 -1.94 -2.73 116.57 116.00 3nbs h LYS 5 Ca 0.28 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3nbs h LYS 5 Cb 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3nbs h LYS 5 CO -0.14 0.89 0.14 0.78 -0.57 0.00 0.00 179.45 180.54 3nbs h GLY 6 N 1.07 1.17 0.92 3.86 0.00 -0.60 -1.93 103.07 107.56 3nbs h GLY 6 Ca 0.03 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.62 3nbs h GLY 6 CO 0.09 0.70 0.33 1.70 0.00 0.00 0.00 176.54 179.36 3nbs h LYS 7 N 1.02 0.65 -0.38 4.80 3.64 -0.82 0.14 116.57 125.61 3nbs h LYS 7 Ca 0.21 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3nbs h LYS 7 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3nbs h LYS 7 CO 0.01 0.43 0.25 -0.22 -2.27 0.00 0.00 179.45 177.64 3nbs h LYS 8 N 0.67 0.49 -0.35 1.90 3.64 -1.18 -1.04 116.57 120.70 3nbs h LYS 8 Ca 0.21 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3nbs h LYS 8 Cb -0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3nbs h LYS 8 CO -0.08 0.32 0.18 0.82 -2.27 0.00 0.00 179.45 178.43 3nbs h ILE 9 N 0.50 1.15 -0.63 2.00 2.04 -0.87 -2.51 117.51 119.19 3nbs h ILE 9 Ca 0.14 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3nbs h ILE 9 Cb -0.05 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3nbs h ILE 9 CO -0.04 0.15 0.37 0.15 0.00 0.00 0.00 178.15 178.78 3nbs h PHE 10 N 0.44 0.68 -0.53 1.37 3.57 -0.38 0.73 116.94 122.83 3nbs h PHE 10 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3nbs h PHE 10 Cb 0.08 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3nbs h PHE 10 CO -0.02 0.36 0.17 0.28 -2.23 0.00 0.00 178.31 176.87 3nbs h VAL 11 N 0.71 1.21 0.00 1.41 2.07 -0.98 0.39 116.25 121.06 3nbs h VAL 11 Ca 0.27 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 3nbs h VAL 11 Cb 0.09 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3nbs h VAL 11 CO -0.13 0.26 -1.62 0.00 0.02 0.00 0.00 177.57 176.10 3nbs n GLN 12 N -4.31 0.64 -0.00 1.57 10.64 -0.97 -4.09 117.38 120.85 3nbs n GLN 12 Ca 0.04 0.01 0.05 0.00 -1.83 0.00 0.00 57.00 55.27 3nbs n GLN 12 Cb 0.19 -1.67 -0.07 0.00 -0.86 0.00 0.00 30.24 27.83 3nbs n GLN 12 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3nbs n LYS 13 N -2.58 2.03 0.00 2.61 4.76 0.22 -4.86 118.16 120.34 3nbs n LYS 13 Ca -0.07 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3nbs n LYS 13 Cb 0.69 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 3nbs n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3nbs h ALA 15 N 0.00 2.38 0.00 0.00 0.00 -0.52 -0.69 119.26 120.42 3nbs h ALA 15 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3nbs h ALA 15 Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3nbs h ALA 15 CO 0.00 -0.92 0.00 -0.56 0.00 0.00 0.00 179.25 177.77 3nbs h GLN 16 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -3.26 115.11 110.00 3nbs h GLN 16 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.94 3nbs h GLN 16 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.98 3nbs h GLN 16 CO -0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 178.83 178.42 3nbs s HIS 18 N -1.08 1.23 0.14 0.00 3.76 -0.65 -0.81 115.29 117.87 3nbs s HIS 18 Ca 0.00 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.63 3nbs s HIS 18 Cb 0.00 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 3nbs s HIS 18 CO 0.00 0.04 -0.22 0.95 -0.85 0.00 0.00 174.74 174.66 3nbs s THR 19 N -0.97 2.56 -0.08 1.30 -4.23 -1.26 -4.26 115.64 108.71 3nbs s THR 19 Ca 0.01 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 3nbs s THR 19 Cb -0.08 -2.18 -0.11 0.00 1.34 0.00 0.00 72.50 71.47 3nbs s THR 19 CO 0.02 0.04 0.05 1.33 -0.54 0.00 0.00 174.62 175.52 3nbs n VAL 20 N 0.70 0.51 -1.59 2.29 0.24 -1.26 -0.94 118.33 118.28 3nbs n VAL 20 Ca -0.16 -0.34 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 3nbs n VAL 20 Cb 0.54 -0.66 0.02 0.00 -1.47 0.00 0.00 33.84 32.27 3nbs n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3nbs n GLU 21 N -2.26 1.16 -2.07 7.34 4.71 -1.26 -2.85 120.64 125.41 3nbs n GLU 21 Ca -0.12 0.42 -0.41 0.00 -0.01 0.00 0.00 57.16 57.04 3nbs n GLU 21 Cb 0.71 -2.03 -0.02 0.00 -1.01 0.00 0.00 31.44 29.09 3nbs n GLU 21 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3nbs s LYS 22 N -2.18 4.31 0.00 3.49 2.20 -1.26 -0.89 119.74 125.41 3nbs s LYS 22 Ca 0.66 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 3nbs s LYS 22 Cb -0.51 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3nbs s LYS 22 CO 0.54 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 3nbs n GLY 23 N 1.89 0.83 3.76 5.54 0.00 -1.26 -5.00 105.19 110.95 3nbs n GLY 23 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3nbs n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3nbs s GLY 24 N -1.99 2.79 0.66 -0.02 0.00 -0.06 -5.00 107.32 103.70 3nbs s GLY 24 Ca 0.00 1.05 -0.10 0.00 0.00 0.00 0.00 44.72 45.67 3nbs s GLY 24 CO 0.00 1.50 1.04 -1.59 0.00 0.00 0.00 173.10 174.05 3nbs s LYS 25 N -2.95 3.02 0.40 2.90 -2.85 -1.26 -4.71 119.74 114.29 3nbs s LYS 25 Ca 0.70 0.42 -0.18 0.00 -1.00 0.00 0.00 55.97 55.91 3nbs s LYS 25 Cb -0.32 -2.09 -0.10 0.00 -2.06 0.00 0.00 37.83 33.26 3nbs s LYS 25 CO 0.37 -0.86 0.87 -1.01 0.10 0.00 0.00 175.35 174.82 3nbs s HIS 26 N -3.24 3.35 0.00 1.78 3.76 -1.26 -4.21 115.29 115.47 3nbs s HIS 26 Ca 0.56 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.91 3nbs s HIS 26 Cb -0.11 -2.72 0.00 0.00 1.11 0.00 0.00 32.58 30.86 3nbs s HIS 26 CO 0.51 -0.07 0.00 1.63 -0.85 0.00 0.00 174.74 175.96 3nbs n LYS 27 N -0.68 2.42 0.26 1.40 5.02 -1.25 -4.92 118.16 120.40 3nbs n LYS 27 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 3nbs n LYS 27 Cb 0.54 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 36.22 3nbs n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3nbs h THR 28 N 0.00 0.78 -1.93 -0.18 2.02 -1.84 -3.41 112.91 108.36 3nbs h THR 28 Ca 0.00 -0.44 -0.58 0.00 0.77 0.00 0.00 66.41 66.16 3nbs h THR 28 Cb 0.00 1.26 -0.10 0.00 -1.74 0.00 0.00 68.15 67.57 3nbs h THR 28 CO 0.00 0.11 -0.60 -0.83 0.37 0.00 0.00 175.52 174.57 3nbs s GLY 29 N -4.17 2.02 0.48 2.16 0.00 0.01 -5.02 107.32 102.80 3nbs s GLY 29 Ca -0.04 -1.92 -0.13 0.00 0.00 0.00 0.00 44.72 42.63 3nbs s GLY 29 CO 0.62 -1.87 0.90 2.56 0.00 0.00 0.00 173.10 175.32 3nbs s PRO 30 N -3.74 3.84 0.44 2.90 0.04 -1.26 -4.62 135.00 132.61 3nbs s PRO 30 Ca 0.35 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 3nbs s PRO 30 Cb -0.01 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3nbs s PRO 30 CO 0.20 -0.21 1.45 -1.71 0.04 0.00 0.00 177.00 176.77 3nbs n ASN 31 N -1.60 3.46 -0.83 6.66 2.85 -1.26 -4.43 115.26 120.11 3nbs n ASN 31 Ca 0.05 1.14 0.09 0.00 -0.11 0.00 0.00 54.58 55.75 3nbs n ASN 31 Cb 0.54 -1.61 0.12 0.00 1.24 0.00 0.00 39.78 40.06 3nbs n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3nbs n LEU 32 N -0.11 2.78 -4.69 1.20 4.77 -0.11 -4.96 117.00 115.88 3nbs n LEU 32 Ca 0.04 -1.21 -0.44 0.00 -0.03 0.00 0.00 56.01 54.38 3nbs n LEU 32 Cb 0.41 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3nbs n LEU 32 CO 0.60 0.54 1.09 1.57 -1.33 0.00 0.00 177.39 179.86 3nbs n HIS 33 N 1.10 2.37 -1.80 -1.77 -0.00 -1.13 -1.33 115.22 112.65 3nbs n HIS 33 Ca 0.13 0.37 -0.08 0.00 0.46 0.00 0.00 57.72 58.61 3nbs n HIS 33 Cb 0.49 -2.50 -0.01 0.00 -0.12 0.00 0.00 29.99 27.84 3nbs n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nbs n GLY 34 N 2.20 0.40 0.28 1.57 0.00 -1.26 -4.94 105.19 103.44 3nbs n GLY 34 Ca 0.11 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 3nbs n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nbs h LEU 35 N 0.00 0.83 -9.28 0.99 5.85 -1.60 -3.39 115.31 108.71 3nbs h LEU 35 Ca -0.17 -0.08 -0.55 0.00 0.84 0.00 0.00 57.88 57.93 3nbs h LEU 35 Cb 0.89 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3nbs h LEU 35 CO 0.22 0.66 1.10 -0.36 -0.34 0.00 0.00 178.44 179.72 3nbs s PHE 36 N -5.93 1.91 0.00 1.25 0.40 -1.26 -1.14 117.98 113.21 3nbs s PHE 36 Ca -0.13 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 3nbs s PHE 36 Cb 0.14 -3.95 0.00 0.00 0.51 0.00 0.00 43.02 39.72 3nbs s PHE 36 CO 0.78 -4.05 0.00 0.41 0.70 0.00 0.00 175.22 173.06 3nbs n GLY 37 N 4.17 0.72 3.82 4.36 0.00 0.11 -5.01 105.19 113.36 3nbs n GLY 37 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3nbs n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3nbs s ARG 38 N -0.70 3.94 0.70 1.61 3.52 -0.29 -4.82 118.95 122.90 3nbs s ARG 38 Ca 0.00 0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 3nbs s ARG 38 Cb 0.00 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 3nbs s ARG 38 CO 0.00 0.60 1.06 0.15 -0.81 0.00 0.00 175.30 176.31 3nbs s LYS 39 N -0.75 2.92 0.34 5.12 3.01 -1.26 -0.70 119.74 128.41 3nbs s LYS 39 Ca 0.22 0.93 -0.29 0.00 -1.01 0.00 0.00 55.97 55.83 3nbs s LYS 39 Cb -0.16 -1.99 -0.11 0.00 -1.01 0.00 0.00 37.83 34.57 3nbs s LYS 39 CO 0.11 -1.11 1.42 0.95 0.51 0.00 0.00 175.35 177.24 3nbs s THR 40 N -3.05 2.36 -1.13 2.17 -4.23 -0.38 -3.31 115.64 108.07 3nbs s THR 40 Ca 0.58 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.38 3nbs s THR 40 Cb -0.14 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.48 3nbs s THR 40 CO 0.55 0.08 0.98 0.61 -0.54 0.00 0.00 174.62 176.30 3nbs n GLY 41 N 0.89 -0.30 0.31 3.99 0.00 -1.23 -4.74 105.19 104.11 3nbs n GLY 41 Ca 0.02 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3nbs n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3nbs n GLN 42 N -4.22 0.15 -1.99 1.61 1.13 -1.21 -4.87 117.38 107.98 3nbs n GLN 42 Ca -0.02 -0.96 -0.43 0.00 -1.94 0.00 0.00 57.00 53.65 3nbs n GLN 42 Cb 0.56 -1.15 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 3nbs n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3nbs s ALA 43 N -0.67 3.19 0.21 -1.58 0.00 -1.26 -4.93 121.76 116.72 3nbs s ALA 43 Ca 0.09 0.57 -0.32 0.00 0.00 0.00 0.00 51.96 52.30 3nbs s ALA 43 Cb 0.07 -3.90 -0.14 0.00 0.00 0.00 0.00 23.12 19.15 3nbs s ALA 43 CO 0.10 -2.09 1.47 -2.30 0.00 0.00 0.00 175.76 172.94 3nbs n PRO 44 N 7.87 2.08 -1.00 0.00 -0.02 -1.26 -2.68 135.00 140.00 3nbs n PRO 44 Ca 0.21 0.74 -0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3nbs n PRO 44 Cb 0.45 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3nbs n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nbs n GLY 45 N 2.57 0.49 3.46 -1.23 0.00 -1.26 -5.04 105.19 104.18 3nbs n GLY 45 Ca 0.13 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3nbs n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nbs s PHE 46 N -2.00 2.69 -0.48 1.61 5.36 -1.09 -5.05 117.98 119.02 3nbs s PHE 46 Ca 0.00 -0.21 -0.21 0.00 -0.96 0.00 0.00 56.93 55.56 3nbs s PHE 46 Cb 0.00 -1.64 0.04 0.00 -0.34 0.00 0.00 43.02 41.08 3nbs s PHE 46 CO 0.00 0.15 0.67 0.99 -1.46 0.00 0.00 175.22 175.57 3nbs s THR 47 N -0.64 4.79 0.40 0.12 2.01 -1.26 -4.96 115.64 116.10 3nbs s THR 47 Ca 0.10 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.04 3nbs s THR 47 Cb -0.11 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 3nbs s THR 47 CO 0.01 -0.73 0.60 -0.31 -0.69 0.00 0.00 174.62 173.49 3nbs s TYR 48 N 2.90 3.28 0.53 4.92 2.02 -1.26 -5.09 117.35 124.65 3nbs s TYR 48 Ca 0.21 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.94 3nbs s TYR 48 Cb -0.16 -2.13 -0.07 0.00 -0.40 0.00 0.00 41.96 39.20 3nbs s TYR 48 CO 0.17 -0.15 0.98 0.95 -1.57 0.00 0.00 175.55 175.92 3nbs s THR 49 N -2.41 4.59 0.50 -0.71 -4.23 -1.26 -4.83 115.64 107.28 3nbs s THR 49 Ca 0.45 1.10 0.18 0.00 -1.18 0.00 0.00 61.69 62.24 3nbs s THR 49 Cb -0.10 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 70.31 3nbs s THR 49 CO 0.36 -0.78 2.06 0.44 -0.54 0.00 0.00 174.62 176.16 3nbs h ASP 50 N 0.66 0.11 -0.42 3.99 3.32 -1.97 0.16 116.42 122.27 3nbs h ASP 50 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3nbs h ASP 50 Cb 1.19 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3nbs h ASP 50 CO 0.62 0.07 0.14 0.00 -1.72 0.00 0.00 179.24 178.35 3nbs h ALA 51 N 1.83 0.54 0.05 3.45 0.00 -1.91 0.06 119.26 123.28 3nbs h ALA 51 Ca 0.15 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3nbs h ALA 51 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3nbs h ALA 51 CO -0.02 0.17 -1.03 -0.97 0.00 0.00 0.00 179.25 177.41 3nbs h ASN 52 N 0.53 0.30 0.89 0.00 -0.00 -1.65 -1.87 115.58 113.78 3nbs h ASN 52 Ca 0.14 -0.28 -0.02 0.00 -0.00 0.00 0.00 56.30 56.13 3nbs h ASN 52 Cb 0.23 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.45 3nbs h ASN 52 CO -0.01 1.15 -0.10 0.50 -0.00 0.00 0.00 177.43 178.97 3nbs h LYS 53 N 0.09 0.00 -0.03 6.67 3.11 -0.57 -3.26 116.57 122.58 3nbs h LYS 53 Ca -0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 3nbs h LYS 53 Cb 1.71 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 3nbs h LYS 53 CO 0.16 0.10 0.00 0.09 -2.81 0.00 0.00 179.45 176.99 3nbs n ASN 54 N -3.26 2.16 0.07 4.20 3.02 -0.01 -4.67 115.26 116.77 3nbs n ASN 54 Ca 0.00 -2.22 0.13 0.00 -0.03 0.00 0.00 54.58 52.46 3nbs n ASN 54 Cb 0.34 -0.10 0.61 0.00 -0.61 0.00 0.00 39.78 40.01 3nbs n ASN 54 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3nbs h LYS 55 N 0.16 0.13 -5.04 3.52 1.63 -1.38 -3.47 116.57 112.12 3nbs h LYS 55 Ca 0.00 -0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 3nbs h LYS 55 Cb 0.62 -0.03 0.12 0.00 -0.60 0.00 0.00 32.23 32.35 3nbs h LYS 55 CO 0.00 0.09 -0.59 0.41 -3.45 0.00 0.00 179.45 175.91 3nbs n GLY 56 N -1.57 -0.28 3.33 5.01 0.00 -1.26 -5.04 105.19 105.39 3nbs n GLY 56 Ca 0.05 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3nbs n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nbs s ILE 57 N -3.28 0.86 -0.21 -0.61 -5.25 -1.26 -5.01 121.20 106.45 3nbs s ILE 57 Ca 0.35 -2.01 -0.04 0.00 -0.99 0.00 0.00 60.65 57.96 3nbs s ILE 57 Cb -0.15 -2.48 -0.01 0.00 2.95 0.00 0.00 42.46 42.76 3nbs s ILE 57 CO 0.61 -0.19 -0.05 -0.89 -1.79 0.00 0.00 174.94 172.63 3nbs s THR 58 N -3.54 3.41 0.13 8.37 2.01 -1.26 -1.25 115.64 123.51 3nbs s THR 58 Ca 0.32 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 3nbs s THR 58 Cb 0.07 -2.54 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 3nbs s THR 58 CO 0.11 0.44 1.56 0.26 -0.69 0.00 0.00 174.62 176.30 3nbs s TRP 59 N 1.27 2.94 0.29 4.92 0.23 0.12 -4.75 118.94 123.96 3nbs s TRP 59 Ca 0.03 0.60 -0.19 0.00 -2.03 0.00 0.00 56.10 54.51 3nbs s TRP 59 Cb -0.14 -3.90 0.06 0.00 0.03 0.00 0.00 33.47 29.52 3nbs s TRP 59 CO -0.02 -3.37 0.89 -1.59 0.96 0.00 0.00 176.95 173.82 3nbs s LYS 60 N 1.50 1.80 0.19 4.98 -2.85 -1.26 0.07 119.74 124.17 3nbs s LYS 60 Ca 0.70 -1.14 -0.16 0.00 -1.00 0.00 0.00 55.97 54.37 3nbs s LYS 60 Cb -0.42 0.52 0.16 0.00 -2.06 0.00 0.00 37.83 36.02 3nbs s LYS 60 CO 0.31 -0.84 1.64 0.93 0.10 0.00 0.00 175.35 177.49 3nbs h GLU 61 N 2.00 -0.03 0.06 1.78 3.07 -1.98 0.59 114.58 120.07 3nbs h GLU 61 Ca -0.29 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3nbs h GLU 61 Cb 1.24 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 3nbs h GLU 61 CO 0.37 -0.02 -0.29 0.93 -1.40 0.00 0.00 179.01 178.60 3nbs h GLU 62 N -0.03 -0.39 -1.01 2.33 4.39 -1.97 -0.88 114.58 117.03 3nbs h GLU 62 Ca 0.24 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.00 3nbs h GLU 62 Cb 0.39 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 3nbs h GLU 62 CO -0.53 -0.26 0.66 1.79 -1.16 0.00 0.00 179.01 179.51 3nbs h THR 63 N -0.41 1.20 -0.82 1.13 1.35 -1.80 -2.52 112.91 111.05 3nbs h THR 63 Ca -0.00 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 65.37 3nbs h THR 63 Cb 0.41 -0.22 -0.04 0.00 -1.73 0.00 0.00 68.15 66.58 3nbs h THR 63 CO -0.16 0.24 0.37 -0.07 -0.25 0.00 0.00 175.52 175.65 3nbs h LEU 64 N 1.31 1.10 -0.32 3.87 3.38 -0.71 -1.33 115.31 122.60 3nbs h LEU 64 Ca 0.39 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.26 3nbs h LEU 64 Cb -0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3nbs h LEU 64 CO -0.11 0.94 0.04 0.24 0.09 0.00 0.00 178.44 179.65 3nbs h MET 65 N 1.18 0.15 -0.06 1.13 2.86 -0.71 0.07 114.93 119.55 3nbs h MET 65 Ca 0.28 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 3nbs h MET 65 Cb 0.16 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3nbs h MET 65 CO -0.03 0.10 -0.02 1.49 1.06 0.00 0.00 176.91 179.50 3nbs h GLU 66 N 0.15 0.11 0.17 1.72 4.81 -1.42 -3.11 114.58 117.02 3nbs h GLU 66 Ca 0.15 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3nbs h GLU 66 Cb 0.18 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3nbs h GLU 66 CO -0.21 0.48 -0.28 -0.92 -0.73 0.00 0.00 179.01 177.34 3nbs h TYR 67 N -0.26 -0.77 -0.04 0.92 3.20 -1.04 -2.76 116.97 116.22 3nbs h TYR 67 Ca 0.01 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3nbs h TYR 67 Cb 0.44 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3nbs h TYR 67 CO 0.06 -0.40 0.09 -0.07 -1.64 0.00 0.00 178.16 176.21 3nbs h LEU 68 N -0.53 0.00 -0.48 2.82 3.38 -1.06 -0.38 115.31 119.06 3nbs h LEU 68 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 3nbs h LEU 68 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3nbs h LEU 68 CO -0.13 0.00 -0.72 -0.08 0.09 0.00 0.00 178.44 177.60 3nbs h GLU 69 N 0.00 0.26 -0.77 1.13 4.81 -1.41 -3.42 114.58 115.18 3nbs h GLU 69 Ca 0.02 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3nbs h GLU 69 Cb 0.20 0.05 -0.19 0.00 0.63 0.00 0.00 28.75 29.44 3nbs h GLU 69 CO -0.00 0.87 -0.32 1.21 -0.73 0.00 0.00 179.01 180.04 3nbs s ASN 70 N -6.92 -1.22 0.12 1.04 3.84 -0.55 -5.08 114.94 106.17 3nbs s ASN 70 Ca -0.04 -0.32 -0.27 0.00 0.21 0.00 0.00 52.86 52.44 3nbs s ASN 70 Cb 0.11 1.63 -0.07 0.00 -0.55 0.00 0.00 41.25 42.37 3nbs s ASN 70 CO 0.82 -0.17 1.63 -0.65 -2.79 0.00 0.00 177.10 175.93 3nbs h PRO 71 N 7.01 -0.46 -0.88 0.43 0.11 -1.38 -2.16 132.00 134.66 3nbs h PRO 71 Ca 0.00 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.24 3nbs h PRO 71 Cb 1.19 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 3nbs h PRO 71 CO 0.06 -0.31 0.53 -0.22 -0.21 0.00 0.00 178.00 177.85 3nbs h LYS 72 N -0.48 0.87 -0.43 1.05 1.63 -1.82 0.38 116.57 117.77 3nbs h LYS 72 Ca 0.04 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 3nbs h LYS 72 Cb 0.53 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 3nbs h LYS 72 CO -0.19 0.57 0.01 -0.22 -3.45 0.00 0.00 179.45 176.18 3nbs h LYS 73 N 0.89 0.69 0.05 1.90 3.64 -1.88 -0.51 116.57 121.36 3nbs h LYS 73 Ca 0.42 -0.17 -0.28 0.00 -1.27 0.00 0.00 60.65 59.36 3nbs h LYS 73 Cb 0.35 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3nbs h LYS 73 CO -0.23 0.70 -1.47 -0.92 -2.27 0.00 0.00 179.45 175.25 3nbs h TYR 74 N 0.65 0.19 -2.38 1.91 3.20 -0.64 -3.40 116.97 116.51 3nbs h TYR 74 Ca 0.13 -0.14 -0.59 0.00 3.14 0.00 0.00 58.73 61.27 3nbs h TYR 74 Cb 0.39 -0.01 -0.40 0.00 1.54 0.00 0.00 36.73 38.25 3nbs h TYR 74 CO 0.02 1.18 -0.83 -0.89 -1.64 0.00 0.00 178.16 176.00 3nbs n ILE 75 N -3.30 0.43 -1.69 1.81 5.41 0.13 -5.07 119.36 117.09 3nbs n ILE 75 Ca -0.13 -4.35 -0.57 0.00 1.00 0.00 0.00 62.75 58.70 3nbs n ILE 75 Cb 1.02 -1.97 -0.07 0.00 -0.71 0.00 0.00 39.64 37.91 3nbs n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3nbs n PRO 76 N 1.75 1.08 0.00 0.38 -0.02 -0.21 -1.01 135.00 136.97 3nbs n PRO 76 Ca 0.25 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3nbs n PRO 76 Cb 0.45 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3nbs n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nbs n GLY 77 N 3.85 2.28 3.74 -1.23 0.00 -1.26 -4.79 105.19 107.78 3nbs n GLY 77 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3nbs n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nbs s THR 78 N -2.24 2.65 0.11 2.61 -1.32 -0.18 -4.92 115.64 112.36 3nbs s THR 78 Ca 0.00 0.55 -0.26 0.00 -1.21 0.00 0.00 61.69 60.77 3nbs s THR 78 Cb 0.00 -3.35 0.08 0.00 -1.51 0.00 0.00 72.50 67.72 3nbs s THR 78 CO 0.00 0.09 1.08 -1.59 -2.21 0.00 0.00 174.62 171.98 3nbs s LYS 79 N -0.35 0.98 -0.16 7.08 -2.85 -1.26 -4.64 119.74 118.54 3nbs s LYS 79 Ca 0.59 -0.57 -0.11 0.00 -1.00 0.00 0.00 55.97 54.88 3nbs s LYS 79 Cb -0.42 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.62 3nbs s LYS 79 CO 0.43 -0.45 0.21 1.41 0.10 0.00 0.00 175.35 177.05 3nbs s MET 80 N -2.76 4.08 -0.24 1.78 -2.45 -1.26 -5.02 119.30 113.44 3nbs s MET 80 Ca 0.16 -0.05 -0.03 0.00 -1.25 0.00 0.00 55.69 54.51 3nbs s MET 80 Cb 0.00 -3.37 0.01 0.00 1.25 0.00 0.00 34.83 32.71 3nbs s MET 80 CO 0.01 0.38 -0.04 0.42 1.05 0.00 0.00 175.02 176.84 3nbs s ILE 81 N 0.09 3.21 -0.28 10.11 1.01 -1.26 -5.05 121.20 129.03 3nbs s ILE 81 Ca 0.13 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 3nbs s ILE 81 Cb -0.12 -2.55 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 3nbs s ILE 81 CO 0.02 0.30 2.19 0.49 0.00 0.00 0.00 174.94 177.94 3nbs n PHE 82 N 4.75 1.79 -1.70 3.97 3.72 -1.26 -4.86 117.46 123.87 3nbs n PHE 82 Ca -0.17 0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 56.89 3nbs n PHE 82 Cb 0.49 -2.62 -0.01 0.00 -0.94 0.00 0.00 39.48 36.40 3nbs n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nbs n ALA 83 N 10.43 1.54 -2.02 4.37 0.00 -1.26 -4.99 120.51 128.59 3nbs n ALA 83 Ca 0.36 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.90 3nbs n ALA 83 Cb 0.32 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.50 3nbs n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nbs s GLY 84 N 0.02 1.62 -0.40 0.00 0.00 -1.26 -5.06 107.32 102.24 3nbs s GLY 84 Ca 0.60 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.67 3nbs s GLY 84 CO 0.56 -0.37 0.13 -0.42 0.00 0.00 0.00 173.10 173.00 3nbs s ILE 85 N -3.10 2.29 0.06 0.90 1.01 -1.26 -5.01 121.20 116.09 3nbs s ILE 85 Ca 0.56 -2.63 -0.21 0.00 0.00 0.00 0.00 60.65 58.37 3nbs s ILE 85 Cb -0.11 -2.66 -0.13 0.00 0.01 0.00 0.00 42.46 39.58 3nbs s ILE 85 CO 0.46 -0.68 1.50 0.11 0.00 0.00 0.00 174.94 176.33 3nbs h LYS 86 N 7.25 0.23 -6.38 2.79 1.79 -2.02 -3.44 116.57 116.78 3nbs h LYS 86 Ca -0.06 -0.07 -0.56 0.00 -2.18 0.00 0.00 60.65 57.79 3nbs h LYS 86 Cb 0.98 -0.02 0.03 0.00 -1.58 0.00 0.00 32.23 31.63 3nbs h LYS 86 CO 0.57 0.45 1.13 1.63 -1.08 0.00 0.00 179.45 182.15 3nbs n LYS 87 N -4.79 2.60 -0.07 3.15 5.02 -1.26 -4.89 118.16 117.92 3nbs n LYS 87 Ca -0.05 0.95 -0.10 0.00 -2.02 0.00 0.00 58.31 57.09 3nbs n LYS 87 Cb 0.20 -2.84 -0.03 0.00 -0.02 0.00 0.00 35.03 32.33 3nbs n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3nbs h LYS 88 N 9.31 0.35 -0.94 1.97 3.64 -2.00 -1.85 116.57 127.05 3nbs h LYS 88 Ca -0.48 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.91 3nbs h LYS 88 Cb 1.25 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 3nbs h LYS 88 CO 0.94 0.29 0.62 1.79 -2.27 0.00 0.00 179.45 180.82 3nbs h THR 89 N 0.31 1.13 -0.54 1.00 1.35 -1.98 0.86 112.91 115.04 3nbs h THR 89 Ca 0.09 -0.39 -0.07 0.00 -0.55 0.00 0.00 66.41 65.48 3nbs h THR 89 Cb 0.04 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.32 3nbs h THR 89 CO -0.02 0.21 0.04 -0.33 -0.25 0.00 0.00 175.52 175.18 3nbs h GLU 90 N 1.15 0.92 -0.47 4.72 5.08 -1.89 -1.08 114.58 123.01 3nbs h GLU 90 Ca 0.39 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3nbs h GLU 90 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3nbs h GLU 90 CO -0.13 0.91 0.02 0.00 -1.00 0.00 0.00 179.01 178.82 3nbs h ARG 91 N 0.80 0.76 -0.18 2.33 3.08 -0.44 -0.99 114.38 119.74 3nbs h ARG 91 Ca 0.16 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3nbs h ARG 91 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3nbs h ARG 91 CO 0.02 0.76 0.00 0.93 -1.07 0.00 0.00 179.97 180.61 3nbs h GLU 92 N 0.72 0.32 -0.67 0.04 5.08 -0.55 -1.12 114.58 118.40 3nbs h GLU 92 Ca 0.15 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3nbs h GLU 92 Cb 0.41 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3nbs h GLU 92 CO 0.01 0.52 0.14 -0.44 -1.00 0.00 0.00 179.01 178.25 3nbs h ASP 93 N 0.08 1.02 -0.72 1.42 3.32 -1.05 0.89 116.42 121.38 3nbs h ASP 93 Ca 0.05 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 3nbs h ASP 93 Cb 0.38 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3nbs h ASP 93 CO 0.01 0.99 0.18 0.25 -1.72 0.00 0.00 179.24 178.96 3nbs h LEU 94 N 1.02 1.09 -0.74 1.55 5.85 -1.11 -0.50 115.31 122.45 3nbs h LEU 94 Ca 0.21 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3nbs h LEU 94 Cb 0.39 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3nbs h LEU 94 CO 0.01 1.04 -0.50 0.40 -0.34 0.00 0.00 178.44 179.04 3nbs h ILE 95 N 1.09 1.34 -0.16 4.05 2.04 -0.81 -0.70 117.51 124.36 3nbs h ILE 95 Ca 0.23 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3nbs h ILE 95 Cb 0.37 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3nbs h ILE 95 CO 0.00 0.52 0.04 0.00 0.00 0.00 0.00 178.15 178.71 3nbs h ALA 96 N 1.22 0.21 -0.48 1.87 0.00 -0.30 0.18 119.26 121.95 3nbs h ALA 96 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3nbs h ALA 96 Cb 0.97 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3nbs h ALA 96 CO 0.08 -0.16 0.29 -0.92 0.00 0.00 0.00 179.25 178.55 3nbs h TYR 97 N 0.06 0.62 -0.84 0.00 3.20 -0.95 -2.36 116.97 116.72 3nbs h TYR 97 Ca 0.05 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3nbs h TYR 97 Cb 0.26 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3nbs h TYR 97 CO 0.01 0.43 0.41 -0.07 -1.64 0.00 0.00 178.16 177.29 3nbs h LEU 98 N 0.64 1.09 -1.65 2.82 3.38 -0.87 0.19 115.31 120.91 3nbs h LEU 98 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3nbs h LEU 98 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3nbs h LEU 98 CO -0.03 0.91 -0.04 0.50 0.09 0.00 0.00 178.44 179.87 3nbs h LYS 99 N 1.19 0.17 0.00 1.13 3.64 -0.30 -1.52 116.57 120.87 3nbs h LYS 99 Ca 0.29 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3nbs h LYS 99 Cb 0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3nbs h LYS 99 CO -0.04 0.23 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.85 3nbs h LYS 100 N 0.17 0.00 -0.82 1.90 3.64 -0.86 -3.36 116.57 117.23 3nbs h LYS 100 Ca 0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3nbs h LYS 100 Cb 0.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3nbs h LYS 100 CO 0.01 0.61 0.38 0.00 -2.27 0.00 0.00 179.45 178.18 3nbs h ALA 101 N -0.48 1.06 0.00 5.00 0.00 -0.61 -2.74 119.26 121.49 3nbs h ALA 101 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3nbs h ALA 101 Cb 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3nbs h ALA 101 CO -0.04 0.64 0.00 0.25 0.00 0.00 0.00 179.25 180.10 3nbs n THR 102 N -4.32 0.00 0.16 0.00 -2.24 -0.58 -3.47 114.28 103.84 3nbs n THR 102 Ca 0.08 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.88 3nbs n THR 102 Cb 0.15 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 3nbs n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nbs n ASN 103 N -1.02 0.72 -0.74 3.42 2.85 -1.06 -5.08 115.26 114.35 3nbs n ASN 103 Ca 0.22 -0.51 0.13 0.00 -0.11 0.00 0.00 54.58 54.31 3nbs n ASN 103 Cb 0.12 1.03 0.30 0.00 1.24 0.00 0.00 39.78 42.46 3nbs n ASN 103 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31