#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3efx n PRO 2 N 0.00 0.57 0.00 0.00 -0.02 -1.26 -4.93 135.00 129.35 3efx n PRO 2 Ca 0.00 0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.78 3efx n PRO 2 Cb 0.00 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 3efx n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3efx n GLN 3 N -1.34 2.64 -3.82 -0.52 6.02 -1.26 -4.94 117.38 114.15 3efx n GLN 3 Ca 0.13 -0.20 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 3efx n GLN 3 Cb 0.49 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.60 3efx n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3efx s ASN 4 N -2.01 -0.20 0.37 1.08 2.20 -1.26 -5.06 114.94 110.06 3efx s ASN 4 Ca 0.06 -0.62 0.11 0.00 -0.94 0.00 0.00 52.86 51.48 3efx s ASN 4 Cb 0.10 0.59 0.90 0.00 -2.00 0.00 0.00 41.25 40.83 3efx s ASN 4 CO 0.46 -1.09 1.85 -0.29 -2.94 0.00 0.00 177.10 175.08 3efx h ILE 5 N 2.21 0.76 -0.13 0.54 2.10 -1.96 -1.89 117.51 119.15 3efx h ILE 5 Ca -0.27 -0.21 -0.10 0.00 1.08 0.00 0.00 64.86 65.36 3efx h ILE 5 Cb 1.26 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 3efx h ILE 5 CO 0.36 0.11 -0.30 0.74 -1.08 0.00 0.00 178.15 177.99 3efx h THR 6 N 0.61 1.37 -0.73 2.19 2.02 -1.98 0.65 112.91 117.03 3efx h THR 6 Ca 0.47 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 3efx h THR 6 Cb 0.90 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 3efx h THR 6 CO -0.22 0.47 0.45 -0.33 0.37 0.00 0.00 175.52 176.26 3efx h GLU 7 N 0.03 0.98 -0.39 6.66 5.08 -1.92 -2.58 114.58 122.44 3efx h GLU 7 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3efx h GLU 7 Cb 0.90 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3efx h GLU 7 CO 0.07 0.68 0.15 1.25 -1.00 0.00 0.00 179.01 180.16 3efx h LEU 8 N 1.00 0.55 -1.82 1.33 6.46 -1.28 -3.01 115.31 118.53 3efx h LEU 8 Ca 0.26 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3efx h LEU 8 Cb -0.06 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 3efx h LEU 8 CO -0.05 0.58 0.04 0.00 -0.62 0.00 0.00 178.44 178.38 3efx n SER 10 N -4.48 0.36 -0.07 0.00 7.64 -0.99 -2.79 113.62 113.29 3efx n SER 10 Ca -0.01 0.55 0.15 0.00 1.01 0.00 0.00 58.87 60.57 3efx n SER 10 Cb 0.11 -0.64 0.71 0.00 -1.01 0.00 0.00 64.21 63.38 3efx n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3efx n GLU 11 N -1.86 0.68 -4.51 1.43 1.02 -0.88 -4.85 120.64 111.67 3efx n GLU 11 Ca 0.05 -0.14 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 3efx n GLU 11 Cb 0.31 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 3efx n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3efx s TYR 12 N -2.41 2.18 0.47 -0.32 1.51 -1.12 -5.13 117.35 112.52 3efx s TYR 12 Ca 0.32 -0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 55.79 3efx s TYR 12 Cb 0.20 -1.22 -0.10 0.00 -0.11 0.00 0.00 41.96 40.74 3efx s TYR 12 CO 0.45 0.25 0.98 -1.01 -1.11 0.00 0.00 175.55 175.10 3efx s HIS 13 N -1.00 3.26 -1.38 2.71 3.76 -1.26 -4.16 115.29 117.23 3efx s HIS 13 Ca 0.12 1.57 -0.04 0.00 -0.15 0.00 0.00 55.06 56.56 3efx s HIS 13 Cb -0.10 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.70 3efx s HIS 13 CO 0.04 -0.35 0.54 0.09 -0.85 0.00 0.00 174.74 174.21 3efx n ASN 14 N -0.95 -5.61 -4.45 1.40 3.02 -1.26 -4.95 115.26 102.46 3efx n ASN 14 Ca 0.07 -0.25 -0.24 0.00 -0.03 0.00 0.00 54.58 54.13 3efx n ASN 14 Cb 0.54 -4.44 -0.10 0.00 -0.61 0.00 0.00 39.78 35.16 3efx n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3efx s THR 15 N -3.11 2.36 0.10 3.41 -4.23 -1.26 -0.32 115.64 112.60 3efx s THR 15 Ca 0.27 -2.31 -0.13 0.00 -1.18 0.00 0.00 61.69 58.34 3efx s THR 15 Cb -0.12 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3efx s THR 15 CO 0.33 -0.37 0.31 0.00 -0.54 0.00 0.00 174.62 174.36 3efx s GLN 16 N -3.35 0.96 -0.20 3.99 -2.07 -0.51 -4.89 119.66 113.59 3efx s GLN 16 Ca 0.27 -0.77 -0.16 0.00 -1.82 0.00 0.00 55.36 52.88 3efx s GLN 16 Cb -0.05 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 3efx s GLN 16 CO 0.13 -0.34 0.41 0.42 -1.32 0.00 0.00 175.29 174.59 3efx s ILE 17 N -3.66 5.19 -0.23 3.63 -1.09 -1.26 -1.53 121.20 122.25 3efx s ILE 17 Ca 0.03 0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 59.05 3efx s ILE 17 Cb 0.03 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3efx s ILE 17 CO -0.11 0.25 0.31 -0.31 -1.23 0.00 0.00 174.94 173.86 3efx s TYR 18 N 1.29 3.32 -0.34 3.97 1.51 0.38 -4.96 117.35 122.52 3efx s TYR 18 Ca 0.20 0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 56.51 3efx s TYR 18 Cb -0.15 -2.45 -0.01 0.00 -0.11 0.00 0.00 41.96 39.24 3efx s TYR 18 CO 0.08 -0.05 0.47 0.99 -1.11 0.00 0.00 175.55 175.94 3efx s THR 19 N 1.43 5.06 -0.18 -0.71 2.01 -1.26 -0.59 115.64 121.40 3efx s THR 19 Ca 0.14 0.28 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 3efx s THR 19 Cb -0.15 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 3efx s THR 19 CO 0.08 -0.17 -0.22 -0.38 -0.69 0.00 0.00 174.62 173.24 3efx n ILE 20 N 5.36 1.00 -4.15 1.82 2.08 0.61 -5.01 119.36 121.07 3efx n ILE 20 Ca -0.06 -0.28 -0.42 0.00 0.56 0.00 0.00 62.75 62.55 3efx n ILE 20 Cb 0.49 -1.62 -0.01 0.00 -0.75 0.00 0.00 39.64 37.75 3efx n ILE 20 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3efx n ASN 21 N -3.65 -2.57 -3.46 4.38 3.02 -0.13 -4.95 115.26 107.90 3efx n ASN 21 Ca -0.35 -1.29 -0.13 0.00 -0.03 0.00 0.00 54.58 52.78 3efx n ASN 21 Cb 0.77 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 3efx n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3efx s ASP 22 N -3.79 -0.56 0.61 6.41 2.15 -0.88 -4.93 116.67 115.68 3efx s ASP 22 Ca 0.35 0.21 -0.14 0.00 0.43 0.00 0.00 52.55 53.40 3efx s ASP 22 Cb -0.19 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 42.93 3efx s ASP 22 CO 0.97 -0.80 1.04 -1.59 -0.17 0.00 0.00 175.17 174.62 3efx s LYS 23 N -2.87 3.38 0.11 4.34 -2.85 -1.26 -0.40 119.74 120.19 3efx s LYS 23 Ca -0.02 1.04 -0.31 0.00 -1.00 0.00 0.00 55.97 55.68 3efx s LYS 23 Cb -0.01 -2.05 -0.08 0.00 -2.06 0.00 0.00 37.83 33.63 3efx s LYS 23 CO -0.06 -0.75 1.50 0.42 0.10 0.00 0.00 175.35 176.57 3efx s ILE 24 N -2.72 3.07 -0.03 3.79 1.01 -1.26 -4.72 121.20 120.34 3efx s ILE 24 Ca 0.60 0.71 -0.21 0.00 0.00 0.00 0.00 60.65 61.74 3efx s ILE 24 Cb -0.14 -3.45 -0.30 0.00 0.01 0.00 0.00 42.46 38.58 3efx s ILE 24 CO 0.42 0.04 0.94 0.25 0.00 0.00 0.00 174.94 176.59 3efx h LEU 25 N 7.32 0.49 -8.18 2.97 5.85 -1.36 -3.47 115.31 118.91 3efx h LEU 25 Ca -0.42 -0.91 -0.16 0.00 0.84 0.00 0.00 57.88 57.23 3efx h LEU 25 Cb 1.20 -0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.90 3efx h LEU 25 CO 0.90 1.36 -0.69 -0.94 -0.34 0.00 0.00 178.44 178.72 3efx s SER 26 N -6.93 0.53 -0.06 1.25 1.04 -1.20 -4.97 113.70 103.36 3efx s SER 26 Ca -0.13 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 55.48 3efx s SER 26 Cb 0.01 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.30 3efx s SER 26 CO 0.83 -0.46 -0.03 -0.47 0.98 0.00 0.00 173.24 174.10 3efx s TYR 27 N -2.91 0.80 -0.06 5.02 5.04 -1.26 -2.34 117.35 121.64 3efx s TYR 27 Ca -0.01 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.39 3efx s TYR 27 Cb 0.01 -0.80 0.01 0.00 0.35 0.00 0.00 41.96 41.53 3efx s TYR 27 CO -0.06 -0.29 -0.11 0.99 -1.34 0.00 0.00 175.55 174.74 3efx s THR 28 N 1.49 1.07 -0.03 4.34 2.01 -0.16 -5.00 115.64 119.37 3efx s THR 28 Ca -0.02 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3efx s THR 28 Cb -0.13 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.40 3efx s THR 28 CO -0.03 0.34 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.48 3efx s GLU 29 N 0.67 0.71 -0.02 4.92 2.12 -1.26 -0.70 118.70 125.15 3efx s GLU 29 Ca -0.14 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.06 3efx s GLU 29 Cb -0.16 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 3efx s GLU 29 CO 0.03 0.02 -0.14 0.45 -0.54 0.00 0.00 175.26 175.09 3efx s SER 30 N 0.43 1.67 0.00 -1.70 0.15 0.91 -4.98 113.70 110.18 3efx s SER 30 Ca -0.05 -0.26 0.14 0.00 0.70 0.00 0.00 55.95 56.48 3efx s SER 30 Cb -0.09 -0.26 0.29 0.00 -1.71 0.00 0.00 66.02 64.25 3efx s SER 30 CO 0.00 0.16 1.19 0.00 1.20 0.00 0.00 173.24 175.79 3efx n LEU 31 N 2.87 2.83 -0.06 3.45 -0.00 -1.26 -3.32 117.00 121.50 3efx n LEU 31 Ca -0.15 -1.63 -0.11 0.00 -0.00 0.00 0.00 56.01 54.12 3efx n LEU 31 Cb 0.55 -0.19 -0.05 0.00 -0.00 0.00 0.00 43.42 43.73 3efx n LEU 31 CO 0.24 0.65 0.80 0.00 -0.00 0.00 0.00 177.39 179.09 3efx h ALA 32 N 2.69 0.25 -3.00 1.47 0.00 -1.95 -3.47 119.26 115.25 3efx h ALA 32 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3efx h ALA 32 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3efx h ALA 32 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3efx n GLY 33 N -0.49 4.51 0.26 0.00 0.00 -1.26 -5.02 105.19 103.20 3efx n GLY 33 Ca -0.04 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.89 3efx n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3efx h LYS 34 N 0.00 0.33 0.00 1.61 2.10 -2.00 -2.46 116.57 116.15 3efx h LYS 34 Ca 0.00 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 3efx h LYS 34 Cb 0.00 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3efx h LYS 34 CO 0.00 0.22 -0.13 0.07 -2.00 0.00 0.00 179.45 177.61 3efx h ARG 35 N 0.34 0.00 -6.79 0.07 -0.00 -1.97 -3.46 114.38 102.57 3efx h ARG 35 Ca 0.39 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.90 3efx h ARG 35 Cb 0.62 0.00 -0.10 0.00 -0.00 0.00 0.00 29.97 30.49 3efx h ARG 35 CO -0.44 0.13 -0.76 0.39 -0.00 0.00 0.00 179.97 179.29 3efx n GLU 36 N -4.26 -0.74 -2.49 0.08 1.02 -0.93 -4.05 120.64 109.27 3efx n GLU 36 Ca -0.03 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3efx n GLU 36 Cb 0.20 -2.31 -0.04 0.00 -0.02 0.00 0.00 31.44 29.27 3efx n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3efx s MET 37 N -6.58 4.00 -0.15 3.49 0.23 -1.21 -4.58 119.30 114.50 3efx s MET 37 Ca 0.15 1.00 0.01 0.00 -1.03 0.00 0.00 55.69 55.82 3efx s MET 37 Cb -0.08 -2.14 0.02 0.00 -1.53 0.00 0.00 34.83 31.09 3efx s MET 37 CO 0.76 -0.23 -0.18 0.00 -2.03 0.00 0.00 175.02 173.34 3efx s ALA 38 N -2.52 2.08 -0.05 3.16 0.00 -1.25 -0.06 121.76 123.12 3efx s ALA 38 Ca 0.60 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.59 3efx s ALA 38 Cb -0.10 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 3efx s ALA 38 CO 0.27 -0.20 -0.18 0.42 0.00 0.00 0.00 175.76 176.07 3efx s ILE 39 N 1.12 1.54 0.12 0.00 1.01 0.12 -1.30 121.20 123.81 3efx s ILE 39 Ca -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.94 3efx s ILE 39 Cb -0.14 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3efx s ILE 39 CO -0.07 0.44 -0.20 0.27 0.00 0.00 0.00 174.94 175.39 3efx s ILE 40 N 0.04 1.72 0.32 2.92 -4.36 -0.17 -0.99 121.20 120.69 3efx s ILE 40 Ca -0.05 -1.65 0.04 0.00 -0.26 0.00 0.00 60.65 58.74 3efx s ILE 40 Cb -0.12 -1.63 -0.06 0.00 1.25 0.00 0.00 42.46 41.90 3efx s ILE 40 CO 0.03 -0.15 0.04 0.42 0.24 0.00 0.00 174.94 175.52 3efx s THR 41 N -1.44 1.31 0.11 8.37 -4.23 -0.99 -1.01 115.64 117.76 3efx s THR 41 Ca 0.09 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3efx s THR 41 Cb -0.09 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3efx s THR 41 CO 0.05 -0.05 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 3efx s PHE 42 N -3.22 1.00 -0.05 3.99 0.40 -0.76 -0.91 117.98 118.44 3efx s PHE 42 Ca 0.35 -0.85 0.31 0.00 -0.60 0.00 0.00 56.93 56.15 3efx s PHE 42 Cb 0.08 -0.55 1.31 0.00 0.51 0.00 0.00 43.02 44.37 3efx s PHE 42 CO 0.15 -0.08 1.92 1.57 0.70 0.00 0.00 175.22 179.48 3efx h LYS 43 N 2.98 0.00 0.00 0.44 2.10 -1.89 -1.12 116.57 119.08 3efx h LYS 43 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 3efx h LYS 43 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3efx h LYS 43 CO 0.63 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.35 3efx n ASN 44 N -2.82 0.10 0.00 7.07 6.94 -1.26 -4.86 115.26 120.43 3efx n ASN 44 Ca 0.01 0.53 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 3efx n ASN 44 Cb 0.26 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 3efx n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3efx n GLY 45 N -0.54 0.67 3.77 4.83 0.00 -0.43 -5.08 105.19 108.41 3efx n GLY 45 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3efx n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3efx s ALA 46 N -2.17 3.28 -0.05 4.61 0.00 -1.25 -4.86 121.76 121.31 3efx s ALA 46 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3efx s ALA 46 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3efx s ALA 46 CO 0.00 -0.73 -0.09 0.99 0.00 0.00 0.00 175.76 175.93 3efx s THR 47 N -1.26 0.87 0.10 0.00 2.01 -1.26 -1.82 115.64 114.26 3efx s THR 47 Ca 0.55 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3efx s THR 47 Cb -0.37 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3efx s THR 47 CO 0.48 0.29 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.25 3efx s PHE 48 N 0.72 0.99 0.18 4.92 0.08 -0.18 -3.89 117.98 120.80 3efx s PHE 48 Ca -0.13 -0.71 0.07 0.00 0.12 0.00 0.00 56.93 56.28 3efx s PHE 48 Cb -0.15 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3efx s PHE 48 CO 0.02 -0.04 -0.14 1.14 -0.10 0.00 0.00 175.22 176.10 3efx s GLN 49 N -3.01 1.25 -0.22 0.44 -2.07 -0.43 -1.00 119.66 114.62 3efx s GLN 49 Ca 0.06 -1.51 -0.06 0.00 -1.82 0.00 0.00 55.36 52.04 3efx s GLN 49 Cb -0.01 -1.06 -0.03 0.00 -1.09 0.00 0.00 33.01 30.83 3efx s GLN 49 CO -0.01 0.18 0.02 0.08 -1.32 0.00 0.00 175.29 174.24 3efx s VAL 50 N -2.80 4.09 0.35 3.63 1.01 -0.42 -1.32 120.40 124.94 3efx s VAL 50 Ca 0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 3efx s VAL 50 Cb -0.01 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.40 3efx s VAL 50 CO 0.06 0.40 0.80 -1.61 0.00 0.00 0.00 175.10 174.74 3efx s GLU 51 N 1.19 4.08 0.63 2.72 2.02 -1.26 -3.84 118.70 124.23 3efx s GLU 51 Ca 0.04 0.81 -0.18 0.00 0.02 0.00 0.00 54.97 55.65 3efx s GLU 51 Cb -0.14 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 3efx s GLU 51 CO 0.02 0.11 1.23 0.54 0.02 0.00 0.00 175.26 177.18 3efx s VAL 52 N -2.03 2.45 0.00 2.63 0.11 -1.26 -5.03 120.40 117.27 3efx s VAL 52 Ca 0.56 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 3efx s VAL 52 Cb -0.10 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 3efx s VAL 52 CO 0.16 -0.07 0.00 -0.81 -3.33 0.00 0.00 175.10 171.05 3efx n PRO 53 N -1.85 2.04 0.00 1.54 -0.04 -1.26 -5.13 135.00 130.31 3efx n PRO 53 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3efx n PRO 53 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 3efx n PRO 53 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3efx n GLN 61 N 0.00 0.00 -0.00 0.54 -0.06 -1.26 -5.20 117.38 111.40 3efx n GLN 61 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 3efx n GLN 61 Cb 0.00 -0.53 -0.04 0.00 -4.06 0.00 0.00 30.24 25.61 3efx n GLN 61 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 3efx h LYS 62 N 0.00 -0.06 -0.69 3.69 1.79 -2.03 -1.25 116.57 118.03 3efx h LYS 62 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 3efx h LYS 62 Cb 0.00 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3efx h LYS 62 CO 0.00 -0.04 0.26 0.87 -1.08 0.00 0.00 179.45 179.46 3efx h LYS 63 N -0.06 1.02 -0.43 3.15 1.79 -2.05 -2.21 116.57 117.78 3efx h LYS 63 Ca 0.07 -0.18 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 3efx h LYS 63 Cb 0.17 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3efx h LYS 63 CO -0.16 0.85 -0.12 0.00 -1.08 0.00 0.00 179.45 178.94 3efx h ALA 64 N 1.28 0.99 -0.29 3.86 0.00 -1.90 0.12 119.26 123.32 3efx h ALA 64 Ca 0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3efx h ALA 64 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3efx h ALA 64 CO -0.02 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 3efx h ILE 65 N 0.70 1.29 -0.70 0.00 2.04 -1.04 -0.27 117.51 119.53 3efx h ILE 65 Ca 0.12 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 3efx h ILE 65 Cb 0.59 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3efx h ILE 65 CO 0.04 0.38 0.25 -0.33 0.00 0.00 0.00 178.15 178.49 3efx h GLU 66 N 0.35 1.07 -0.37 2.37 4.39 -1.11 -2.37 114.58 118.90 3efx h GLU 66 Ca 0.07 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3efx h GLU 66 Cb 0.63 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3efx h GLU 66 CO 0.04 0.90 0.24 -0.09 -1.16 0.00 0.00 179.01 178.94 3efx h ARG 67 N 1.01 0.49 -0.70 2.33 2.43 -0.63 -1.77 114.38 117.55 3efx h ARG 67 Ca 0.23 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 3efx h ARG 67 Cb 0.25 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 3efx h ARG 67 CO -0.01 0.34 0.35 1.98 -1.51 0.00 0.00 179.97 181.12 3efx h MET 68 N 0.50 0.59 -0.76 0.20 4.05 -0.89 0.19 114.93 118.80 3efx h MET 68 Ca 0.14 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3efx h MET 68 Cb -0.04 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 3efx h MET 68 CO -0.03 0.39 0.32 0.87 0.23 0.00 0.00 176.91 178.69 3efx h LYS 69 N 0.61 1.13 -0.28 0.39 1.57 -1.19 -0.79 116.57 118.00 3efx h LYS 69 Ca 0.34 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3efx h LYS 69 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3efx h LYS 69 CO -0.25 0.90 0.17 -0.44 -0.57 0.00 0.00 179.45 179.26 3efx h ASP 70 N 1.10 0.33 -0.58 0.86 3.32 -0.38 -2.39 116.42 118.69 3efx h ASP 70 Ca 0.26 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.32 3efx h ASP 70 Cb 0.19 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3efx h ASP 70 CO -0.02 0.28 0.30 0.74 -1.72 0.00 0.00 179.24 178.81 3efx h THR 71 N 0.36 0.95 -0.33 0.35 2.02 -0.24 -1.93 112.91 114.09 3efx h THR 71 Ca 0.10 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 3efx h THR 71 Cb 0.00 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3efx h THR 71 CO -0.02 0.10 -0.27 -0.07 0.37 0.00 0.00 175.52 175.64 3efx h LEU 72 N 0.57 0.69 -0.13 2.58 3.38 -1.04 -0.33 115.31 121.02 3efx h LEU 72 Ca 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3efx h LEU 72 Cb 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3efx h LEU 72 CO -0.17 0.93 -0.02 -0.09 0.09 0.00 0.00 178.44 179.17 3efx h ARG 73 N 0.58 0.25 -0.41 1.13 2.43 -1.19 -0.82 114.38 116.36 3efx h ARG 73 Ca 0.08 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 3efx h ARG 73 Cb 0.76 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3efx h ARG 73 CO 0.06 0.53 -0.33 0.97 -1.51 0.00 0.00 179.97 179.69 3efx h ILE 74 N -0.04 1.27 -0.38 1.20 6.09 -1.26 -0.82 117.51 123.57 3efx h ILE 74 Ca 0.04 -1.50 0.07 0.00 -1.37 0.00 0.00 64.86 62.09 3efx h ILE 74 Cb 0.43 1.31 -0.06 0.00 0.47 0.00 0.00 36.82 38.97 3efx h ILE 74 CO 0.01 0.51 0.00 0.00 -3.07 0.00 0.00 178.15 175.60 3efx h ALA 75 N 0.84 0.35 0.00 0.18 0.00 -1.07 -0.81 119.26 118.75 3efx h ALA 75 Ca 0.08 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3efx h ALA 75 Cb 0.92 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3efx h ALA 75 CO 0.09 -0.39 -0.03 -0.92 0.00 0.00 0.00 179.25 177.99 3efx h TYR 76 N 0.11 -0.08 0.00 0.00 3.20 -0.81 -0.55 116.97 118.84 3efx h TYR 76 Ca 0.18 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3efx h TYR 76 Cb 0.26 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3efx h TYR 76 CO -0.25 -0.05 -0.28 -0.07 -1.64 0.00 0.00 178.16 175.87 3efx h LEU 77 N -0.06 0.00 -1.70 2.82 3.38 -0.88 -2.66 115.31 116.21 3efx h LEU 77 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3efx h LEU 77 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3efx h LEU 77 CO -0.03 0.28 -0.09 0.35 0.09 0.00 0.00 178.44 179.03 3efx n THR 78 N -3.76 0.00 -3.75 0.22 -2.24 -0.33 -4.97 114.28 99.44 3efx n THR 78 Ca -0.01 -0.44 -0.26 0.00 -2.27 0.00 0.00 64.05 61.06 3efx n THR 78 Cb 0.38 1.40 0.05 0.00 -2.10 0.00 0.00 70.33 70.05 3efx n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3efx n GLU 79 N 1.02 -6.38 -2.33 -0.78 1.02 -0.35 -4.95 120.64 107.90 3efx n GLU 79 Ca 0.13 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.56 3efx n GLU 79 Cb 0.56 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.33 3efx n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3efx s ALA 80 N -3.35 3.46 -0.06 0.62 0.00 -0.42 -4.80 121.76 117.21 3efx s ALA 80 Ca 0.53 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 3efx s ALA 80 Cb -0.25 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3efx s ALA 80 CO 0.79 -0.40 1.30 0.21 0.00 0.00 0.00 175.76 177.66 3efx s LYS 81 N -0.77 4.30 -0.12 0.00 2.20 -1.26 -4.25 119.74 119.84 3efx s LYS 81 Ca 0.51 1.78 -0.26 0.00 -0.36 0.00 0.00 55.97 57.64 3efx s LYS 81 Cb -0.34 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 3efx s LYS 81 CO 0.41 -0.56 0.84 0.08 -0.36 0.00 0.00 175.35 175.76 3efx s VAL 82 N 2.61 4.90 -0.00 4.02 1.01 0.47 -3.85 120.40 129.55 3efx s VAL 82 Ca 0.59 1.69 -0.00 0.00 0.00 0.00 0.00 61.98 64.26 3efx s VAL 82 Cb -0.27 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3efx s VAL 82 CO 0.22 0.09 -0.00 -0.08 0.00 0.00 0.00 175.10 175.33 3efx h GLU 83 N 7.12 0.00 -5.01 2.72 4.81 -1.28 -0.16 114.58 122.78 3efx h GLU 83 Ca -0.33 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.56 3efx h GLU 83 Cb 1.16 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.35 3efx h GLU 83 CO 0.81 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.50 3efx s LYS 84 N -1.00 0.83 -0.08 1.92 1.02 -1.18 -0.28 119.74 120.97 3efx s LYS 84 Ca -0.00 -1.11 0.03 0.00 0.02 0.00 0.00 55.97 54.91 3efx s LYS 84 Cb 0.00 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.74 3efx s LYS 84 CO 0.00 0.10 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.86 3efx s LEU 85 N -2.30 1.77 -0.26 3.17 1.43 0.24 -1.40 118.68 121.33 3efx s LEU 85 Ca 0.04 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 3efx s LEU 85 Cb -0.04 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 3efx s LEU 85 CO 0.01 0.07 0.52 0.00 0.23 0.00 0.00 176.35 177.17 3efx s VAL 87 N 2.33 1.14 -0.08 0.00 -7.23 -0.58 -0.29 120.40 115.68 3efx s VAL 87 Ca 0.21 -1.25 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 3efx s VAL 87 Cb -0.16 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 3efx s VAL 87 CO 0.09 -0.17 0.85 0.26 -0.31 0.00 0.00 175.10 175.82 3efx s TRP 88 N -1.17 3.55 -2.06 2.82 0.51 0.15 -1.42 118.94 121.31 3efx s TRP 88 Ca -0.01 1.41 0.19 0.00 -2.12 0.00 0.00 56.10 55.57 3efx s TRP 88 Cb -0.09 -2.99 0.54 0.00 -0.81 0.00 0.00 33.47 30.11 3efx s TRP 88 CO 0.02 -0.07 1.45 0.27 -0.51 0.00 0.00 176.95 178.11 3efx n ASN 89 N 4.37 3.23 -2.04 2.95 0.23 0.57 -2.15 115.26 122.42 3efx n ASN 89 Ca 0.03 -1.99 -0.10 0.00 -0.53 0.00 0.00 54.58 51.99 3efx n ASN 89 Cb 0.50 -0.38 0.27 0.00 -2.08 0.00 0.00 39.78 38.09 3efx n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3efx n ASN 90 N 1.28 4.51 -3.88 0.53 6.94 -1.26 -4.89 115.26 118.49 3efx n ASN 90 Ca 0.20 -3.27 -0.11 0.00 -0.02 0.00 0.00 54.58 51.38 3efx n ASN 90 Cb 0.52 -0.76 -0.11 0.00 -2.36 0.00 0.00 39.78 37.06 3efx n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3efx s LYS 91 N -2.97 0.36 -0.16 -3.83 -0.14 -1.26 -5.09 119.74 106.66 3efx s LYS 91 Ca 0.54 -0.27 0.01 0.00 -1.36 0.00 0.00 55.97 54.89 3efx s LYS 91 Cb 0.44 0.15 0.02 0.00 -1.68 0.00 0.00 37.83 36.76 3efx s LYS 91 CO 0.13 -0.08 -0.16 0.99 -0.76 0.00 0.00 175.35 175.47 3efx s THR 92 N -0.98 1.71 0.79 2.17 2.01 -1.26 -2.34 115.64 117.74 3efx s THR 92 Ca -0.11 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 3efx s THR 92 Cb -0.06 -1.58 0.07 0.00 0.01 0.00 0.00 72.50 70.94 3efx s THR 92 CO 0.01 0.48 1.13 -2.84 -0.69 0.00 0.00 174.62 172.71 3efx s PRO 93 N 1.41 1.96 0.55 4.92 0.02 -1.26 -5.06 135.00 137.54 3efx s PRO 93 Ca 0.04 1.41 -0.20 0.00 0.02 0.00 0.00 61.00 62.27 3efx s PRO 93 Cb -0.13 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 3efx s PRO 93 CO -0.11 -1.90 0.95 0.09 -0.33 0.00 0.00 177.00 175.70 3efx n ASN 94 N -3.43 0.80 -4.60 2.53 3.02 -0.99 -4.49 115.26 108.10 3efx n ASN 94 Ca 0.11 0.86 -0.35 0.00 -0.03 0.00 0.00 54.58 55.17 3efx n ASN 94 Cb 0.52 -1.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 3efx n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3efx s SER 95 N -1.09 5.53 -0.10 6.41 0.15 -0.91 -1.31 113.70 122.38 3efx s SER 95 Ca 0.72 0.03 -0.30 0.00 0.70 0.00 0.00 55.95 57.10 3efx s SER 95 Cb -0.45 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 3efx s SER 95 CO 0.50 0.15 1.27 -0.63 1.20 0.00 0.00 173.24 175.73 3efx s ILE 96 N 0.53 4.17 -0.22 6.45 1.01 -0.43 0.30 121.20 133.01 3efx s ILE 96 Ca 0.03 1.47 0.06 0.00 0.00 0.00 0.00 60.65 62.21 3efx s ILE 96 Cb -0.13 -3.95 -0.20 0.00 0.01 0.00 0.00 42.46 38.19 3efx s ILE 96 CO 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 174.94 174.82 3efx n ALA 97 N 5.90 1.42 -3.08 9.38 0.00 0.61 -4.85 120.51 129.88 3efx n ALA 97 Ca 0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 3efx n ALA 97 Cb 0.45 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 3efx n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3efx s ALA 98 N -2.52 -1.00 0.02 0.00 0.00 -0.86 -4.98 121.76 112.42 3efx s ALA 98 Ca -0.26 0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3efx s ALA 98 Cb 0.08 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 3efx s ALA 98 CO 0.69 -0.57 -0.08 -1.50 0.00 0.00 0.00 175.76 174.29 3efx s ILE 99 N -3.27 0.64 0.06 0.00 2.07 -1.26 -1.25 121.20 118.19 3efx s ILE 99 Ca -0.00 -0.74 0.08 0.00 -1.41 0.00 0.00 60.65 58.57 3efx s ILE 99 Cb 0.01 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3efx s ILE 99 CO -0.08 -0.10 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.70 3efx s SER 100 N -0.93 2.53 -0.03 4.50 1.04 -0.49 -4.99 113.70 115.32 3efx s SER 100 Ca -0.03 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.87 3efx s SER 100 Cb -0.07 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 3efx s SER 100 CO 0.00 0.14 -0.12 -0.04 0.98 0.00 0.00 173.24 174.21 3efx s MET 101 N -1.35 1.21 0.00 4.02 -1.94 -1.26 -0.84 119.30 119.14 3efx s MET 101 Ca 0.07 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 3efx s MET 101 Cb -0.09 -1.11 0.00 0.00 2.01 0.00 0.00 34.83 35.64 3efx s MET 101 CO 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 175.02 175.21