#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3s s LYS 3 N 0.00 0.75 -0.19 1.64 2.20 -1.26 -1.24 119.74 121.64 1b3s s LYS 3 Ca 0.00 0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1b3s s LYS 3 Cb 0.00 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.14 1b3s s LYS 3 CO 0.00 -0.33 -0.03 0.00 -0.36 0.00 0.00 175.35 174.64 1b3s s ALA 4 N 1.92 2.96 -0.03 3.13 0.00 0.14 -4.95 121.76 124.92 1b3s s ALA 4 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1b3s s ALA 4 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1b3s s ALA 4 CO -0.06 -0.08 -0.06 0.08 0.00 0.00 0.00 175.76 175.65 1b3s s VAL 5 N 0.88 3.75 -0.20 0.00 1.01 -1.26 -0.05 120.40 124.53 1b3s s VAL 5 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1b3s s VAL 5 Cb -0.14 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.70 1b3s s VAL 5 CO 0.02 0.49 0.02 -0.63 0.00 0.00 0.00 175.10 174.99 1b3s s ILE 6 N -0.92 0.73 -0.83 2.22 1.01 -0.24 -4.94 121.20 118.24 1b3s s ILE 6 Ca 0.15 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 1b3s s ILE 6 Cb -0.11 -1.18 0.07 0.00 0.01 0.00 0.00 42.46 41.25 1b3s s ILE 6 CO 0.05 -0.18 1.17 0.20 0.00 0.00 0.00 174.94 176.19 1b3s s ASN 7 N 1.76 6.37 0.50 3.58 0.02 -1.26 -1.05 114.94 124.85 1b3s s ASN 7 Ca -0.02 -1.28 0.26 0.00 -1.02 0.00 0.00 52.86 50.81 1b3s s ASN 7 Cb -0.17 -2.47 1.35 0.00 0.02 0.00 0.00 41.25 39.97 1b3s s ASN 7 CO -0.08 -1.43 1.91 1.23 0.02 0.00 0.00 177.10 178.75 1b3s h GLY 8 N 11.73 0.25 2.00 0.66 0.00 -0.91 0.91 103.07 117.71 1b3s h GLY 8 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1b3s h GLY 8 CO 1.24 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.83 1b3s h GLU 9 N 0.12 0.00 -0.00 4.80 9.09 -1.77 -2.78 114.58 124.04 1b3s h GLU 9 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1b3s h GLU 9 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 1b3s h GLU 9 CO -0.05 0.00 -0.36 1.04 0.05 0.00 0.00 179.01 179.68 1b3s n GLN 10 N -2.57 0.28 -3.12 1.06 1.13 0.31 -4.87 117.38 109.60 1b3s n GLN 10 Ca 0.02 -0.15 -0.41 0.00 -1.94 0.00 0.00 57.00 54.51 1b3s n GLN 10 Cb 0.27 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.06 1b3s n GLN 10 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b3s s ILE 11 N -2.82 4.94 -1.64 5.09 -1.09 -1.06 -4.93 121.20 119.69 1b3s s ILE 11 Ca 0.16 0.82 0.13 0.00 -2.23 0.00 0.00 60.65 59.53 1b3s s ILE 11 Cb 0.18 -4.00 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1b3s s ILE 11 CO 0.62 -0.15 0.91 0.54 -1.23 0.00 0.00 174.94 175.64 1b3s n ARG 12 N 5.87 0.89 -3.81 2.79 5.12 -1.26 -4.66 116.66 121.59 1b3s n ARG 12 Ca -0.01 -1.27 -0.09 0.00 -1.93 0.00 0.00 57.85 54.55 1b3s n ARG 12 Cb 0.49 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.50 1b3s n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1b3s s SER 13 N -1.13 -0.24 0.26 0.55 1.04 -1.23 -4.66 113.70 108.30 1b3s s SER 13 Ca 0.15 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 1b3s s SER 13 Cb 0.11 0.63 0.34 0.00 0.10 0.00 0.00 66.02 67.19 1b3s s SER 13 CO 0.17 -1.15 1.82 -0.29 0.98 0.00 0.00 173.24 174.77 1b3s h ILE 14 N 2.14 1.23 -0.15 -1.02 6.09 -1.87 -2.02 117.51 121.92 1b3s h ILE 14 Ca -0.26 -0.79 0.02 0.00 -1.37 0.00 0.00 64.86 62.47 1b3s h ILE 14 Cb 1.26 0.53 -0.02 0.00 0.47 0.00 0.00 36.82 39.05 1b3s h ILE 14 CO 0.33 0.31 0.02 -1.28 -3.07 0.00 0.00 178.15 174.46 1b3s h SER 15 N 0.92 -0.01 -0.40 2.19 0.87 -1.95 -2.34 113.55 112.83 1b3s h SER 15 Ca 0.21 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1b3s h SER 15 Cb 0.24 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1b3s h SER 15 CO -0.01 0.02 -0.10 0.44 -0.53 0.00 0.00 176.83 176.65 1b3s h ASP 16 N 0.08 -0.37 -0.26 6.23 3.32 -1.76 -1.48 116.42 122.19 1b3s h ASP 16 Ca 0.07 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.30 1b3s h ASP 16 Cb 0.06 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1b3s h ASP 16 CO -0.09 -0.13 -0.16 0.25 -1.72 0.00 0.00 179.24 177.38 1b3s h LEU 17 N 0.00 -0.52 -0.68 1.55 5.85 -1.20 0.95 115.31 121.26 1b3s h LEU 17 Ca 0.19 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 1b3s h LEU 17 Cb 0.29 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1b3s h LEU 17 CO -0.42 -0.20 -0.16 0.45 -0.34 0.00 0.00 178.44 177.78 1b3s h HIS 18 N -0.14 0.97 -0.64 1.25 3.86 -0.93 -1.04 115.15 118.48 1b3s h HIS 18 Ca 0.14 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 1b3s h HIS 18 Cb 0.35 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1b3s h HIS 18 CO -0.33 0.95 0.24 1.96 0.86 0.00 0.00 177.93 181.60 1b3s h GLN 19 N 0.77 0.97 -0.72 2.45 4.20 -1.00 0.14 115.11 121.92 1b3s h GLN 19 Ca 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1b3s h GLN 19 Cb 0.68 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1b3s h GLN 19 CO 0.05 0.83 0.40 1.15 -0.67 0.00 0.00 178.83 180.59 1b3s h THR 20 N 0.91 1.22 -0.58 -0.54 2.02 -0.50 -1.97 112.91 113.46 1b3s h THR 20 Ca 0.21 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1b3s h THR 20 Cb 0.24 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1b3s h THR 20 CO -0.01 0.23 0.12 -0.07 0.37 0.00 0.00 175.52 176.16 1b3s h LEU 21 N 0.98 0.90 -0.42 2.58 3.38 -0.77 -0.53 115.31 121.43 1b3s h LEU 21 Ca 0.25 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1b3s h LEU 21 Cb 0.02 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.44 1b3s h LEU 21 CO -0.04 0.91 -0.21 0.50 0.09 0.00 0.00 178.44 179.69 1b3s h LYS 22 N 0.84 -0.13 -0.11 1.13 3.64 0.01 0.11 116.57 122.07 1b3s h LYS 22 Ca 0.18 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1b3s h LYS 22 Cb 0.38 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1b3s h LYS 22 CO 0.01 -0.08 -0.47 1.57 -2.27 0.00 0.00 179.45 178.20 1b3s h LYS 23 N -0.13 0.51 -0.21 1.90 2.10 -1.34 0.17 116.57 119.57 1b3s h LYS 23 Ca 0.20 -0.40 -0.05 0.00 -2.00 0.00 0.00 60.65 58.40 1b3s h LYS 23 Cb 0.45 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1b3s h LYS 23 CO -0.50 1.03 -0.07 0.93 -2.00 0.00 0.00 179.45 178.84 1b3s h GLU 24 N 0.10 0.33 -0.55 0.07 4.39 -0.71 -2.80 114.58 115.41 1b3s h GLU 24 Ca -0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1b3s h GLU 24 Cb 1.11 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1b3s h GLU 24 CO 0.10 0.42 0.00 1.28 -1.16 0.00 0.00 179.01 179.65 1b3s n LEU 25 N -4.29 3.52 -3.65 1.33 4.77 0.35 -4.56 117.00 114.46 1b3s n LEU 25 Ca 0.00 -1.92 -0.21 0.00 -0.03 0.00 0.00 56.01 53.85 1b3s n LEU 25 Cb 0.25 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1b3s n LEU 25 CO 0.38 0.86 -0.05 0.00 -1.33 0.00 0.00 177.39 177.25 1b3s n ALA 26 N 1.24 -2.08 -1.98 -1.18 0.00 -1.00 -4.85 120.51 110.66 1b3s n ALA 26 Ca 0.19 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1b3s n ALA 26 Cb 0.55 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.69 1b3s n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b3s s LEU 27 N -6.56 3.14 0.51 0.00 1.43 0.02 -4.96 118.68 112.26 1b3s s LEU 27 Ca 0.06 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 1b3s s LEU 27 Cb -0.02 -3.93 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 1b3s s LEU 27 CO 0.81 -1.08 0.40 -2.65 0.23 0.00 0.00 176.35 174.05 1b3s n PRO 28 N -2.76 0.42 -0.14 1.29 -0.02 -1.26 -4.88 135.00 127.65 1b3s n PRO 28 Ca 0.05 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 1b3s n PRO 28 Cb 0.56 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.85 1b3s n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1b3s h GLU 29 N 0.35 0.84 -0.76 -0.52 4.81 -1.98 -2.21 114.58 115.11 1b3s h GLU 29 Ca -0.43 -0.06 -0.51 0.00 -0.13 0.00 0.00 59.36 58.23 1b3s h GLU 29 Cb 1.41 -0.19 -0.30 0.00 0.63 0.00 0.00 28.75 30.30 1b3s h GLU 29 CO 0.47 0.57 0.02 1.19 -0.73 0.00 0.00 179.01 180.53 1b3s n PHE 30 N -4.43 2.56 -1.61 0.92 3.72 -1.26 -5.03 117.46 112.33 1b3s n PHE 30 Ca 0.06 -2.35 -0.54 0.00 -0.05 0.00 0.00 57.45 54.57 1b3s n PHE 30 Cb 0.05 -0.80 -0.07 0.00 -0.94 0.00 0.00 39.48 37.73 1b3s n PHE 30 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1b3s n TYR 31 N -0.90 1.55 0.14 1.38 9.36 -0.83 -4.84 117.16 123.01 1b3s n TYR 31 Ca 0.49 0.67 0.15 0.00 3.32 0.00 0.00 57.90 62.53 1b3s n TYR 31 Cb 0.92 -2.33 0.71 0.00 -0.63 0.00 0.00 39.34 38.00 1b3s n TYR 31 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1b3s h GLY 32 N 5.00 0.00 -4.88 2.98 0.00 -1.92 -3.47 103.07 100.78 1b3s h GLY 32 Ca -0.48 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 1b3s h GLY 32 CO 0.81 0.00 -0.60 1.18 0.00 0.00 0.00 176.54 177.94 1b3s n GLU 33 N -4.29 -5.49 -3.93 4.80 1.02 -1.26 -5.00 120.64 106.48 1b3s n GLU 33 Ca 0.03 0.67 -0.09 0.00 -0.02 0.00 0.00 57.16 57.76 1b3s n GLU 33 Cb 0.36 -5.18 -0.05 0.00 -0.02 0.00 0.00 31.44 26.56 1b3s n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b3s s ASN 34 N -3.90 -0.13 0.15 1.62 2.20 -1.26 -5.00 114.94 108.62 1b3s s ASN 34 Ca 0.10 -0.81 -0.17 0.00 -0.94 0.00 0.00 52.86 51.04 1b3s s ASN 34 Cb -0.04 0.59 -0.00 0.00 -2.00 0.00 0.00 41.25 39.79 1b3s s ASN 34 CO 0.58 -1.13 1.81 -0.07 -2.94 0.00 0.00 177.10 175.34 1b3s h LEU 35 N 2.24 0.42 -0.37 3.54 3.38 -1.99 -0.33 115.31 122.20 1b3s h LEU 35 Ca -0.26 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1b3s h LEU 35 Cb 1.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1b3s h LEU 35 CO 0.35 0.31 0.15 0.44 0.09 0.00 0.00 178.44 179.78 1b3s h ASP 36 N 0.49 0.18 -0.71 -0.43 3.32 -1.99 -1.11 116.42 116.17 1b3s h ASP 36 Ca 0.13 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1b3s h ASP 36 Cb -0.05 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1b3s h ASP 36 CO -0.03 0.14 0.21 0.00 -1.72 0.00 0.00 179.24 177.84 1b3s h ALA 37 N 1.23 1.02 -0.34 3.45 0.00 -1.91 -2.07 119.26 120.64 1b3s h ALA 37 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1b3s h ALA 37 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1b3s h ALA 37 CO -0.16 0.65 0.10 1.25 0.00 0.00 0.00 179.25 181.10 1b3s h LEU 38 N 1.07 0.50 -0.53 0.00 5.85 -0.43 0.36 115.31 122.13 1b3s h LEU 38 Ca 0.23 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1b3s h LEU 38 Cb 0.31 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1b3s h LEU 38 CO -0.01 0.58 0.25 -0.25 -0.34 0.00 0.00 178.44 178.67 1b3s h TRP 39 N 0.40 0.45 -0.62 1.25 2.91 -1.12 0.43 115.95 119.65 1b3s h TRP 39 Ca 0.11 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1b3s h TRP 39 Cb 0.26 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.76 1b3s h TRP 39 CO 0.01 0.20 0.35 0.22 -1.03 0.00 0.00 178.44 178.19 1b3s h ASP 40 N 0.48 0.76 -0.17 2.65 3.58 -1.00 -0.56 116.42 122.16 1b3s h ASP 40 Ca 0.25 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 1b3s h ASP 40 Cb 0.20 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1b3s h ASP 40 CO -0.20 0.62 -0.15 0.00 -2.88 0.00 0.00 179.24 176.63 1b3s h LEU 42 N 0.52 0.50 -0.61 0.00 3.38 -0.50 0.11 115.31 118.71 1b3s h LEU 42 Ca 0.09 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1b3s h LEU 42 Cb 0.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1b3s h LEU 42 CO 0.04 1.10 -0.39 0.35 0.09 0.00 0.00 178.44 179.63 1b3s n THR 43 N -3.81 0.00 -2.71 0.22 -2.24 -0.26 -4.50 114.28 100.98 1b3s n THR 43 Ca -0.05 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1b3s n THR 43 Cb 0.74 0.71 0.10 0.00 -2.10 0.00 0.00 70.33 69.79 1b3s n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b3s n GLY 44 N 1.39 1.83 1.77 3.38 0.00 0.53 -5.02 105.19 109.06 1b3s n GLY 44 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1b3s n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b3s n TRP 45 N -1.08 -3.20 -1.68 1.61 -0.00 -0.80 -4.84 117.44 107.46 1b3s n TRP 45 Ca -0.08 0.66 -0.39 0.00 -0.00 0.00 0.00 57.50 57.69 1b3s n TRP 45 Cb 0.85 1.90 0.04 0.00 -0.00 0.00 0.00 31.31 34.11 1b3s n TRP 45 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1b3s n VAL 46 N -2.84 3.46 -3.05 5.87 0.24 -0.04 -4.98 118.33 116.99 1b3s n VAL 46 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.41 1b3s n VAL 46 Cb 0.00 -1.42 -0.06 0.00 -1.47 0.00 0.00 33.84 30.89 1b3s n VAL 46 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1b3s s GLU 47 N -2.64 4.47 0.21 7.34 -1.05 -1.26 -4.98 118.70 120.79 1b3s s GLU 47 Ca 0.71 1.05 0.11 0.00 -0.15 0.00 0.00 54.97 56.69 1b3s s GLU 47 Cb -0.45 -3.24 -0.04 0.00 -0.44 0.00 0.00 34.13 29.96 1b3s s GLU 47 CO 0.51 0.58 -0.19 0.71 0.95 0.00 0.00 175.26 177.81 1b3s s TYR 48 N -1.16 2.38 0.53 4.83 2.02 -1.26 -4.25 117.35 120.44 1b3s s TYR 48 Ca 0.35 -0.32 -0.19 0.00 -0.37 0.00 0.00 57.07 56.54 1b3s s TYR 48 Cb -0.22 -1.14 -0.06 0.00 -0.40 0.00 0.00 41.96 40.14 1b3s s TYR 48 CO 0.24 0.55 1.06 -1.25 -1.57 0.00 0.00 175.55 174.59 1b3s s PRO 49 N -2.91 3.55 -0.00 -1.71 0.04 -1.26 -5.04 135.00 127.67 1b3s s PRO 49 Ca 0.24 1.36 0.07 0.00 0.04 0.00 0.00 61.00 62.71 1b3s s PRO 49 Cb -0.07 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1b3s s PRO 49 CO 0.12 -0.64 -0.24 -1.17 0.04 0.00 0.00 177.00 175.12 1b3s s LEU 50 N -3.88 2.07 -0.18 -3.56 2.96 0.03 -4.07 118.68 112.06 1b3s s LEU 50 Ca 0.67 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1b3s s LEU 50 Cb -0.18 -1.20 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 1b3s s LEU 50 CO 0.27 0.27 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.76 1b3s s VAL 51 N -0.60 2.83 -0.31 1.68 1.01 -0.38 -0.73 120.40 123.91 1b3s s VAL 51 Ca 0.09 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1b3s s VAL 51 Cb -0.09 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1b3s s VAL 51 CO -0.00 0.49 0.08 -0.22 0.00 0.00 0.00 175.10 175.44 1b3s s LEU 52 N 1.06 3.97 -0.41 3.92 2.96 -0.07 0.24 118.68 130.35 1b3s s LEU 52 Ca -0.00 -0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 52.95 1b3s s LEU 52 Cb -0.15 -1.85 0.09 0.00 0.50 0.00 0.00 46.19 44.78 1b3s s LEU 52 CO -0.03 -0.24 0.22 -0.70 -1.32 0.00 0.00 176.35 174.28 1b3s s GLU 53 N 1.44 2.34 -0.48 1.98 2.12 0.93 -0.81 118.70 126.22 1b3s s GLU 53 Ca 0.01 -1.61 -0.14 0.00 0.36 0.00 0.00 54.97 53.59 1b3s s GLU 53 Cb -0.18 -3.65 0.10 0.00 0.26 0.00 0.00 34.13 30.66 1b3s s GLU 53 CO 0.02 -0.99 0.40 -0.46 -0.54 0.00 0.00 175.26 173.69 1b3s s TRP 54 N 1.29 3.29 0.35 5.30 -0.11 -0.67 -1.08 118.94 127.30 1b3s s TRP 54 Ca 0.04 -1.26 -0.09 0.00 1.22 0.00 0.00 56.10 56.01 1b3s s TRP 54 Cb -0.23 -3.37 -0.06 0.00 -1.50 0.00 0.00 33.47 28.31 1b3s s TRP 54 CO -0.01 -0.90 0.67 1.03 -4.62 0.00 0.00 176.95 173.12 1b3s s ARG 55 N 1.56 3.74 -1.24 5.86 0.52 -0.22 -2.02 118.95 127.15 1b3s s ARG 55 Ca 0.04 0.30 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 1b3s s ARG 55 Cb -0.26 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 1b3s s ARG 55 CO 0.04 0.09 0.67 1.04 0.02 0.00 0.00 175.30 177.15 1b3s n GLN 56 N -1.04 -2.18 0.01 3.54 1.13 -1.25 -0.40 117.38 117.20 1b3s n GLN 56 Ca 0.01 0.45 -0.10 0.00 -1.94 0.00 0.00 57.00 55.41 1b3s n GLN 56 Cb 0.54 -4.31 -0.04 0.00 0.11 0.00 0.00 30.24 26.54 1b3s n GLN 56 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1b3s h PHE 57 N -1.89 -0.19 -1.00 1.08 3.57 -1.91 -2.67 116.94 113.93 1b3s h PHE 57 Ca -0.65 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.04 1b3s h PHE 57 Cb 1.37 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 40.10 1b3s h PHE 57 CO 0.40 -0.12 0.61 1.49 -2.23 0.00 0.00 178.31 178.45 1b3s h GLU 58 N -0.10 0.77 -0.12 1.11 4.57 -1.96 -0.77 114.58 118.08 1b3s h GLU 58 Ca 0.06 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.03 1b3s h GLU 58 Cb 0.18 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1b3s h GLU 58 CO -0.14 0.51 -0.62 1.96 -1.18 0.00 0.00 179.01 179.53 1b3s h GLN 59 N 0.79 0.42 -0.01 1.92 4.20 -1.78 -2.62 115.11 118.02 1b3s h GLN 59 Ca 0.57 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 1b3s h GLN 59 Cb 0.85 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1b3s h GLN 59 CO -0.37 0.91 -0.51 0.66 -0.67 0.00 0.00 178.83 178.84 1b3s h SER 60 N 0.31 0.03 -0.21 1.46 4.64 -0.91 -2.78 113.55 116.08 1b3s h SER 60 Ca -0.01 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1b3s h SER 60 Cb 1.16 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1b3s h SER 60 CO 0.11 0.54 -0.14 0.50 -0.87 0.00 0.00 176.83 176.97 1b3s h LYS 61 N 0.02 0.62 0.00 4.77 3.64 -1.09 -3.11 116.57 121.42 1b3s h LYS 61 Ca -0.00 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.08 1b3s h LYS 61 Cb 0.92 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1b3s h LYS 61 CO 0.07 0.74 -0.45 0.37 -2.27 0.00 0.00 179.45 177.91 1b3s h GLN 62 N 0.56 0.00 -0.32 1.90 4.15 -1.18 -3.17 115.11 117.05 1b3s h GLN 62 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1b3s h GLN 62 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1b3s h GLN 62 CO 0.04 0.45 0.00 1.28 -1.93 0.00 0.00 178.83 178.66 1b3s n LEU 63 N -3.61 4.15 0.00 -2.39 4.77 -1.18 -4.56 117.00 114.18 1b3s n LEU 63 Ca -0.00 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1b3s n LEU 63 Cb 0.54 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1b3s n LEU 63 CO 0.38 0.67 0.22 0.35 -1.33 0.00 0.00 177.39 177.68 1b3s n THR 64 N -0.24 0.00 0.00 -5.08 -2.24 -1.19 -3.48 114.28 102.04 1b3s n THR 64 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1b3s n THR 64 Cb 0.92 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 1b3s n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3s n GLU 65 N 0.00 0.00 0.00 -0.78 1.02 -1.20 -1.09 120.64 118.59 1b3s n GLU 65 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1b3s n GLU 65 Cb 0.47 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.19 1b3s n GLU 65 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1b3s n ASN 66 N 8.62 0.73 -0.08 1.62 5.15 -1.26 -4.55 115.26 125.49 1b3s n ASN 66 Ca 0.00 -0.53 -0.09 0.00 -0.60 0.00 0.00 54.58 53.36 1b3s n ASN 66 Cb 0.00 0.21 -0.06 0.00 -0.53 0.00 0.00 39.78 39.40 1b3s n ASN 66 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1b3s h GLY 67 N 4.97 -1.35 -0.30 8.20 0.00 -1.47 -1.90 103.07 111.22 1b3s h GLY 67 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 47.33 48.16 1b3s h GLY 67 CO 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 176.54 175.81 1b3s h ALA 68 N -0.54 -0.28 -0.49 3.60 0.00 -1.80 -1.16 119.26 118.59 1b3s h ALA 68 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b3s h ALA 68 Cb 0.38 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1b3s h ALA 68 CO -0.36 -0.79 0.31 1.49 0.00 0.00 0.00 179.25 179.90 1b3s h GLU 69 N -0.27 0.66 -0.58 0.00 4.57 -1.85 -2.02 114.58 115.09 1b3s h GLU 69 Ca 0.17 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1b3s h GLU 69 Cb 0.56 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.96 1b3s h GLU 69 CO -0.59 0.46 0.30 0.77 -1.18 0.00 0.00 179.01 178.77 1b3s h SER 70 N 0.66 0.44 -0.36 1.04 0.02 -0.72 0.35 113.55 114.97 1b3s h SER 70 Ca 0.18 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1b3s h SER 70 Cb -0.04 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1b3s h SER 70 CO -0.04 0.29 0.15 0.58 -1.14 0.00 0.00 176.83 176.67 1b3s h VAL 71 N 0.57 1.19 -0.55 2.27 2.07 -1.02 -2.05 116.25 118.72 1b3s h VAL 71 Ca 0.26 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1b3s h VAL 71 Cb 0.17 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1b3s h VAL 71 CO -0.17 0.20 0.07 0.25 0.02 0.00 0.00 177.57 177.94 1b3s h LEU 72 N 0.44 0.85 -0.52 2.57 5.85 -0.79 -2.12 115.31 121.60 1b3s h LEU 72 Ca 0.12 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1b3s h LEU 72 Cb 0.18 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1b3s h LEU 72 CO -0.01 0.87 0.14 1.56 -0.34 0.00 0.00 178.44 180.66 1b3s h GLN 73 N 0.84 0.28 -0.84 1.25 4.20 -0.00 0.35 115.11 121.19 1b3s h GLN 73 Ca 0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1b3s h GLN 73 Cb 0.40 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1b3s h GLN 73 CO 0.01 0.18 0.55 0.28 -0.67 0.00 0.00 178.83 179.18 1b3s h VAL 74 N 0.29 1.22 -0.21 -0.54 2.07 -0.71 0.29 116.25 118.66 1b3s h VAL 74 Ca 0.26 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1b3s h VAL 74 Cb 0.33 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1b3s h VAL 74 CO -0.31 0.22 0.08 -0.26 0.02 0.00 0.00 177.57 177.32 1b3s h PHE 75 N 1.15 0.33 -0.50 1.57 0.04 -0.90 -1.31 116.94 117.30 1b3s h PHE 75 Ca 0.31 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 1b3s h PHE 75 Cb -0.11 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1b3s h PHE 75 CO 0.00 0.38 0.31 0.00 -0.60 0.00 0.00 178.31 178.40 1b3s h ARG 76 N 0.19 0.68 -0.31 1.51 2.47 -0.21 -1.00 114.38 117.70 1b3s h ARG 76 Ca 0.07 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.81 1b3s h ARG 76 Cb 0.19 -0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.29 1b3s h ARG 76 CO -0.01 0.48 -0.17 0.93 0.56 0.00 0.00 179.97 181.76 1b3s h GLU 77 N 0.68 -0.13 -0.71 0.04 5.08 -0.33 0.12 114.58 119.32 1b3s h GLU 77 Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1b3s h GLU 77 Cb -0.03 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1b3s h GLU 77 CO -0.04 -0.08 0.45 0.00 -1.00 0.00 0.00 179.01 178.34 1b3s h ALA 78 N 1.08 1.45 -0.05 3.43 0.00 -0.78 -2.40 119.26 121.98 1b3s h ALA 78 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b3s h ALA 78 Cb 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b3s h ALA 78 CO -0.39 0.49 0.02 -0.22 0.00 0.00 0.00 179.25 179.15 1b3s h LYS 79 N 0.98 0.08 -0.94 0.00 3.64 0.04 -2.68 116.57 117.69 1b3s h LYS 79 Ca 0.26 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.79 1b3s h LYS 79 Cb -0.07 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.66 1b3s h LYS 79 CO -0.05 0.26 0.60 0.00 -2.27 0.00 0.00 179.45 177.99 1b3s h ALA 80 N 0.82 1.89 -0.00 5.00 0.00 -0.48 -1.12 119.26 125.37 1b3s h ALA 80 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b3s h ALA 80 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1b3s h ALA 80 CO -0.00 -0.19 -0.01 0.39 0.00 0.00 0.00 179.25 179.45 1b3s n GLU 81 N -4.60 0.57 0.00 0.00 1.02 -0.93 -4.93 120.64 111.76 1b3s n GLU 81 Ca 0.20 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1b3s n GLU 81 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1b3s n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b3s n GLY 82 N 1.22 1.08 3.74 0.62 0.00 -0.42 -5.09 105.19 106.35 1b3s n GLY 82 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1b3s n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3s s ASP 84 N -0.34 5.09 -0.07 0.00 -1.08 -1.26 -4.43 116.67 114.57 1b3s s ASP 84 Ca 0.43 -0.77 -0.00 0.00 -0.52 0.00 0.00 52.55 51.69 1b3s s ASP 84 Cb -0.23 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.69 1b3s s ASP 84 CO 0.28 -2.82 -0.04 -0.51 0.52 0.00 0.00 175.17 172.59 1b3s s ILE 85 N 10.35 0.67 -0.24 4.11 2.07 -1.26 -0.79 121.20 136.11 1b3s s ILE 85 Ca 0.71 -0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.73 1b3s s ILE 85 Cb -0.06 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 1b3s s ILE 85 CO 0.01 0.29 0.14 -0.89 -1.91 0.00 0.00 174.94 172.58 1b3s s THR 86 N 1.47 5.16 -0.26 4.00 2.01 0.09 -4.93 115.64 123.18 1b3s s THR 86 Ca -0.02 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1b3s s THR 86 Cb -0.13 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1b3s s THR 86 CO -0.04 0.34 0.10 -0.63 -0.69 0.00 0.00 174.62 173.71 1b3s s ILE 87 N 1.14 4.52 -0.33 1.82 1.01 -1.26 -0.89 121.20 127.21 1b3s s ILE 87 Ca 0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1b3s s ILE 87 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1b3s s ILE 87 CO 0.05 0.29 0.20 -0.63 0.00 0.00 0.00 174.94 174.85 1b3s s ILE 88 N 1.64 4.95 -0.44 2.92 1.01 0.01 -4.99 121.20 126.30 1b3s s ILE 88 Ca 0.06 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1b3s s ILE 88 Cb -0.15 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1b3s s ILE 88 CO 0.05 0.02 0.34 -0.76 0.00 0.00 0.00 174.94 174.59 1b3s s LEU 89 N 1.67 5.36 0.00 2.97 1.43 -1.26 -1.67 118.68 127.17 1b3s s LEU 89 Ca 0.05 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1b3s s LEU 89 Cb -0.17 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1b3s s LEU 89 CO 0.08 -0.57 0.33 -1.54 0.23 0.00 0.00 176.35 174.88