#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mef h GLY 3 N 0.00 1.06 -1.76 0.46 0.00 -2.04 -3.44 103.07 97.36 3mef h GLY 3 Ca 0.00 -1.00 -0.49 0.00 0.00 0.00 0.00 47.33 45.84 3mef h GLY 3 CO 0.00 0.90 0.20 0.54 0.00 0.00 0.00 176.54 178.19 3mef s LYS 4 N -4.57 3.43 0.02 4.80 3.01 -1.26 -4.84 119.74 120.34 3mef s LYS 4 Ca -0.11 0.31 -0.05 0.00 -1.01 0.00 0.00 55.97 55.10 3mef s LYS 4 Cb 0.12 -2.28 -0.01 0.00 -1.01 0.00 0.00 37.83 34.65 3mef s LYS 4 CO 0.88 -0.40 0.09 0.00 0.51 0.00 0.00 175.35 176.42 3mef s MET 5 N -4.91 0.51 0.82 1.68 0.23 -0.04 -5.01 119.30 112.58 3mef s MET 5 Ca 0.51 -0.63 -0.11 0.00 -1.03 0.00 0.00 55.69 54.42 3mef s MET 5 Cb -0.11 0.20 0.10 0.00 -1.53 0.00 0.00 34.83 33.50 3mef s MET 5 CO 0.47 -0.12 1.17 0.95 -2.03 0.00 0.00 175.02 175.46 3mef s THR 6 N -2.07 2.05 0.00 3.16 -4.23 -1.26 -0.53 115.64 112.77 3mef s THR 6 Ca -0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 3mef s THR 6 Cb -0.04 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.81 3mef s THR 6 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3mef n GLY 7 N -3.31 1.63 3.80 3.99 0.00 0.13 -4.19 105.19 107.24 3mef n GLY 7 Ca 0.09 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 3mef n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mef s ILE 8 N -0.07 4.86 0.03 -0.61 -4.36 -0.63 0.31 121.20 120.73 3mef s ILE 8 Ca 0.00 -0.27 -0.01 0.00 -0.26 0.00 0.00 60.65 60.12 3mef s ILE 8 Cb 0.00 -3.19 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 3mef s ILE 8 CO 0.00 0.43 0.19 0.54 0.24 0.00 0.00 174.94 176.34 3mef s VAL 9 N -1.14 5.37 -0.08 8.37 0.11 0.42 -0.34 120.40 133.10 3mef s VAL 9 Ca 0.21 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3mef s VAL 9 Cb -0.12 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 31.10 3mef s VAL 9 CO 0.11 0.22 -0.06 0.29 -3.33 0.00 0.00 175.10 172.33 3mef n LYS 10 N 0.57 0.52 -4.24 1.54 5.02 -1.22 -2.03 118.16 118.32 3mef n LYS 10 Ca -0.08 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.07 3mef n LYS 10 Cb 0.52 -1.17 -0.15 0.00 -0.02 0.00 0.00 35.03 34.21 3mef n LYS 10 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3mef s TRP 11 N -2.16 0.71 -0.07 2.13 0.52 -1.10 -4.25 118.94 114.71 3mef s TRP 11 Ca -0.10 -0.16 -0.09 0.00 0.02 0.00 0.00 56.10 55.77 3mef s TRP 11 Cb 0.03 -0.54 0.02 0.00 -1.15 0.00 0.00 33.47 31.83 3mef s TRP 11 CO 0.20 -0.09 0.23 0.12 0.02 0.00 0.00 176.95 177.43 3mef s PHE 12 N 0.29 -0.23 -0.13 -1.98 2.19 -1.26 0.05 117.98 116.92 3mef s PHE 12 Ca -0.04 0.53 0.02 0.00 0.33 0.00 0.00 56.93 57.77 3mef s PHE 12 Cb -0.08 0.08 0.02 0.00 -1.31 0.00 0.00 43.02 41.72 3mef s PHE 12 CO 0.00 -0.16 -0.17 1.21 1.83 0.00 0.00 175.22 177.93 3mef s ASN 13 N -0.14 2.65 -0.24 6.13 3.84 0.24 -4.94 114.94 122.49 3mef s ASN 13 Ca -0.03 -0.48 0.13 0.00 0.21 0.00 0.00 52.86 52.70 3mef s ASN 13 Cb -0.03 -1.19 0.59 0.00 -0.55 0.00 0.00 41.25 40.07 3mef s ASN 13 CO 0.01 0.01 1.53 0.00 -2.79 0.00 0.00 177.10 175.86 3mef n ALA 14 N 4.31 3.66 -0.09 1.71 0.00 -1.26 -1.72 120.51 127.12 3mef n ALA 14 Ca -0.19 -2.49 -0.23 0.00 0.00 0.00 0.00 53.44 50.53 3mef n ALA 14 Cb 0.51 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 3mef n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mef n ASP 15 N -0.53 1.97 -0.09 0.00 8.00 -1.26 -4.66 116.55 119.99 3mef n ASP 15 Ca 0.29 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.92 3mef n ASP 15 Cb 1.05 -0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 3mef n ASP 15 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3mef n LYS 16 N -3.92 1.00 0.00 -1.24 2.85 -1.26 -5.05 118.16 110.54 3mef n LYS 16 Ca -0.41 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 56.89 3mef n LYS 16 Cb 0.89 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.86 3mef n LYS 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mef n GLY 17 N 2.24 0.62 3.54 2.58 0.00 -1.24 -5.11 105.19 107.82 3mef n GLY 17 Ca -0.31 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 3mef n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mef s PHE 18 N -0.72 -0.38 -0.27 1.61 0.08 -0.70 -4.65 117.98 112.95 3mef s PHE 18 Ca 0.00 0.48 -0.25 0.00 0.12 0.00 0.00 56.93 57.28 3mef s PHE 18 Cb 0.00 0.49 0.12 0.00 -0.57 0.00 0.00 43.02 43.05 3mef s PHE 18 CO 0.00 -0.46 0.99 0.20 -0.10 0.00 0.00 175.22 175.85 3mef s GLY 19 N -1.74 -0.21 -0.23 4.36 0.00 0.24 0.83 107.32 110.56 3mef s GLY 19 Ca 0.01 2.55 -0.21 0.00 0.00 0.00 0.00 44.72 47.07 3mef s GLY 19 CO -0.02 1.76 0.63 -1.36 0.00 0.00 0.00 173.10 174.11 3mef s PHE 20 N 0.14 3.31 0.29 1.90 0.40 0.11 0.45 117.98 124.59 3mef s PHE 20 Ca 0.02 0.86 0.08 0.00 -0.60 0.00 0.00 56.93 57.30 3mef s PHE 20 Cb -0.05 -2.83 -0.04 0.00 0.51 0.00 0.00 43.02 40.62 3mef s PHE 20 CO -0.05 -0.27 0.11 0.42 0.70 0.00 0.00 175.22 176.13 3mef s ILE 21 N 2.30 3.58 -0.22 0.64 1.01 0.11 -2.72 121.20 125.90 3mef s ILE 21 Ca 0.27 -1.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.21 3mef s ILE 21 Cb -0.16 -3.05 0.07 0.00 0.01 0.00 0.00 42.46 39.33 3mef s ILE 21 CO 0.09 -0.30 0.05 -0.89 0.00 0.00 0.00 174.94 173.89 3mef s THR 22 N -2.30 0.51 0.30 2.92 2.01 0.54 0.54 115.64 120.15 3mef s THR 22 Ca 0.34 -0.67 -0.28 0.00 0.31 0.00 0.00 61.69 61.39 3mef s THR 22 Cb -0.06 -1.10 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 3mef s THR 22 CO 0.22 -0.31 1.08 -2.16 -0.69 0.00 0.00 174.62 172.76 3mef s PRO 23 N 1.85 4.57 0.00 4.92 0.04 -1.22 -1.61 135.00 143.55 3mef s PRO 23 Ca 0.01 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3mef s PRO 23 Cb -0.17 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3mef s PRO 23 CO -0.12 0.17 0.00 -0.40 0.04 0.00 0.00 177.00 176.69 3mef n ASP 24 N 0.99 0.00 0.08 6.66 5.75 -1.26 -2.48 116.55 126.28 3mef n ASP 24 Ca -0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 3mef n ASP 24 Cb 0.46 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.80 3mef n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3mef n ASP 25 N 0.00 0.24 -4.46 -1.12 2.03 -1.26 -3.87 116.55 108.11 3mef n ASP 25 Ca 0.00 0.57 -0.44 0.00 0.52 0.00 0.00 54.79 55.45 3mef n ASP 25 Cb 0.00 -0.59 -0.01 0.00 -0.72 0.00 0.00 41.12 39.79 3mef n ASP 25 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3mef s GLY 26 N -3.16 2.19 0.43 0.27 0.00 -1.04 -5.02 107.32 101.00 3mef s GLY 26 Ca -0.01 -3.08 -0.24 0.00 0.00 0.00 0.00 44.72 41.39 3mef s GLY 26 CO 0.08 2.02 0.96 -1.14 0.00 0.00 0.00 173.10 175.03 3mef n SER 27 N 6.04 1.03 0.00 1.64 3.41 -1.25 -3.40 113.62 121.09 3mef n SER 27 Ca 0.30 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 3mef n SER 27 Cb 0.46 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 3mef n SER 27 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3mef n LYS 28 N 0.12 0.00 -3.80 4.33 2.85 -1.26 -4.92 118.16 115.47 3mef n LYS 28 Ca 0.10 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.09 3mef n LYS 28 Cb 0.40 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.61 3mef n LYS 28 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3mef s ASP 29 N -4.00 2.58 0.08 -5.58 -4.77 -1.26 -4.04 116.67 99.68 3mef s ASP 29 Ca 0.00 -0.60 -0.18 0.00 -3.30 0.00 0.00 52.55 48.47 3mef s ASP 29 Cb 0.00 -0.67 -0.07 0.00 -1.09 0.00 0.00 42.92 41.09 3mef s ASP 29 CO 0.00 -0.24 0.56 0.68 0.70 0.00 0.00 175.17 176.87 3mef s VAL 30 N 1.80 4.77 0.61 2.11 -7.23 0.19 -4.74 120.40 117.92 3mef s VAL 30 Ca 0.01 1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 61.17 3mef s VAL 30 Cb -0.15 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 32.90 3mef s VAL 30 CO -0.07 0.51 1.06 0.12 -0.31 0.00 0.00 175.10 176.41 3mef s PHE 31 N -1.16 2.97 0.31 2.82 5.36 -1.26 0.04 117.98 127.06 3mef s PHE 31 Ca 0.30 1.50 -0.07 0.00 -0.96 0.00 0.00 56.93 57.70 3mef s PHE 31 Cb -0.19 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 3mef s PHE 31 CO 0.19 -1.17 0.49 0.14 -1.46 0.00 0.00 175.22 173.40 3mef s VAL 32 N -2.51 0.00 0.04 3.12 -7.23 0.17 -2.21 120.40 111.77 3mef s VAL 32 Ca 0.63 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 3mef s VAL 32 Cb -0.16 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3mef s VAL 32 CO 0.39 0.00 0.12 -1.38 -0.31 0.00 0.00 175.10 173.93 3mef s HIS 33 N -3.38 0.17 0.00 2.82 -3.43 -1.26 -0.60 115.29 109.62 3mef s HIS 33 Ca 0.27 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.06 3mef s HIS 33 Cb -0.01 -0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 3mef s HIS 33 CO 0.15 -0.39 0.00 1.97 -2.00 0.00 0.00 174.74 174.47 3mef n PHE 34 N 0.69 -0.54 0.00 0.38 -1.74 -1.26 -4.09 117.46 110.90 3mef n PHE 34 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 3mef n PHE 34 Cb 0.59 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.59 3mef n PHE 34 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3mef n SER 35 N 0.00 0.00 0.00 5.98 2.88 -1.26 -4.42 113.62 116.80 3mef n SER 35 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3mef n SER 35 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 3mef n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mef n ALA 36 N 0.00 2.34 -0.82 -1.46 0.00 -1.26 -4.38 120.51 114.93 3mef n ALA 36 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 3mef n ALA 36 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 3mef n ALA 36 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3mef n ILE 37 N -0.77 2.64 -1.91 0.00 -5.35 -1.18 -3.20 119.36 109.59 3mef n ILE 37 Ca 0.10 -1.60 -0.31 0.00 -0.27 0.00 0.00 62.75 60.67 3mef n ILE 37 Cb 0.05 -2.20 -0.04 0.00 -1.74 0.00 0.00 39.64 35.71 3mef n ILE 37 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3mef s GLN 38 N 3.32 2.39 0.00 6.28 -0.21 -1.25 -4.62 119.66 125.58 3mef s GLN 38 Ca 0.44 0.41 0.00 0.00 0.02 0.00 0.00 55.36 56.22 3mef s GLN 38 Cb 0.11 -4.69 0.00 0.00 1.00 0.00 0.00 33.01 29.43 3mef s GLN 38 CO -0.03 -3.25 0.00 -1.71 -2.12 0.00 0.00 175.29 168.18 3mef n ASN 39 N 14.37 0.00 0.00 5.90 5.15 -1.26 -4.56 115.26 134.87 3mef n ASN 39 Ca 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 3mef n ASN 39 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 3mef n ASN 39 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3mef n ASP 40 N 0.00 0.00 0.00 1.20 2.03 -1.26 -4.40 116.55 114.12 3mef n ASP 40 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3mef n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3mef n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mef n GLY 41 N 0.00 1.90 3.52 0.27 0.00 -1.26 -4.99 105.19 104.62 3mef n GLY 41 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 3mef n GLY 41 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mef n TYR 42 N -0.41 -0.70 -1.98 1.61 9.36 -1.26 -4.74 117.16 119.03 3mef n TYR 42 Ca 0.00 0.34 -0.41 0.00 3.32 0.00 0.00 57.90 61.15 3mef n TYR 42 Cb 0.00 -1.56 -0.02 0.00 -0.63 0.00 0.00 39.34 37.13 3mef n TYR 42 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3mef s LYS 43 N -5.46 4.25 -0.19 2.98 2.20 -1.26 -5.00 119.74 117.25 3mef s LYS 43 Ca 0.00 2.35 -0.09 0.00 -0.36 0.00 0.00 55.97 57.88 3mef s LYS 43 Cb -0.00 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 3mef s LYS 43 CO 0.56 -0.41 0.09 -1.12 -0.36 0.00 0.00 175.35 174.11 3mef s SER 44 N 0.15 5.91 0.38 1.43 0.01 -1.26 -5.02 113.70 115.29 3mef s SER 44 Ca 0.57 0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.87 3mef s SER 44 Cb -0.43 -2.02 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 3mef s SER 44 CO 0.48 0.18 0.74 -0.76 0.41 0.00 0.00 173.24 174.29 3mef s LEU 45 N 0.36 3.89 0.07 2.44 1.43 -1.26 -5.10 118.68 120.52 3mef s LEU 45 Ca 0.05 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3mef s LEU 45 Cb -0.12 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 3mef s LEU 45 CO -0.01 -0.34 -0.05 -1.81 0.23 0.00 0.00 176.35 174.37 3mef s ASP 46 N -3.00 0.80 -0.69 2.29 1.01 -1.26 -5.01 116.67 110.81 3mef s ASP 46 Ca 0.51 -0.96 -0.27 0.00 0.71 0.00 0.00 52.55 52.54 3mef s ASP 46 Cb -0.10 0.14 0.01 0.00 1.01 0.00 0.00 42.92 43.98 3mef s ASP 46 CO 0.29 -0.50 1.46 -0.70 0.21 0.00 0.00 175.17 175.93 3mef s GLU 47 N -3.64 3.03 0.00 8.23 2.12 -1.26 -3.60 118.70 123.57 3mef s GLU 47 Ca 0.07 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.47 3mef s GLU 47 Cb 0.05 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.20 3mef s GLU 47 CO -0.07 -2.31 0.00 0.41 -0.54 0.00 0.00 175.26 172.75 3mef n GLY 48 N 5.47 0.71 3.29 -1.50 0.00 -0.86 -4.99 105.19 107.31 3mef n GLY 48 Ca 0.09 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3mef n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mef s GLN 49 N -0.09 1.67 -0.49 1.61 -1.52 -1.09 -4.98 119.66 114.77 3mef s GLN 49 Ca 0.00 -0.99 -0.14 0.00 -1.95 0.00 0.00 55.36 52.27 3mef s GLN 49 Cb 0.00 -1.78 0.09 0.00 -0.22 0.00 0.00 33.01 31.10 3mef s GLN 49 CO 0.00 0.46 0.41 0.21 -0.25 0.00 0.00 175.29 176.12 3mef s LYS 50 N -1.07 2.91 0.00 2.91 2.20 -1.26 -0.44 119.74 124.99 3mef s LYS 50 Ca 0.10 -1.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 3mef s LYS 50 Cb -0.09 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.10 3mef s LYS 50 CO 0.01 -1.13 0.00 1.33 -0.36 0.00 0.00 175.35 175.21 3mef n VAL 51 N 5.17 0.00 -3.80 4.02 0.24 0.15 0.11 118.33 124.21 3mef n VAL 51 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3mef n VAL 51 Cb 0.42 -0.34 -0.07 0.00 -1.47 0.00 0.00 33.84 32.39 3mef n VAL 51 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3mef s SER 52 N -0.94 0.01 0.00 -1.34 0.01 0.17 0.23 113.70 111.84 3mef s SER 52 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 3mef s SER 52 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 3mef s SER 52 CO 0.00 -0.72 0.00 2.22 0.41 0.00 0.00 173.24 175.15 3mef n PHE 53 N 0.08 0.00 -1.65 2.43 1.16 0.31 -1.06 117.46 118.74 3mef n PHE 53 Ca -0.16 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.48 3mef n PHE 53 Cb 0.62 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.68 3mef n PHE 53 CO 0.00 0.00 0.00 -2.37 -1.87 0.00 0.00 176.76 172.52 3mef n THR 54 N 0.00 2.04 -0.45 1.97 5.66 0.81 -0.86 114.28 123.46 3mef n THR 54 Ca 0.00 -3.05 0.00 0.00 -3.05 0.00 0.00 64.05 57.95 3mef n THR 54 Cb 0.00 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 3mef n THR 54 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3mef n ILE 55 N -1.02 0.00 -3.65 1.09 5.41 -1.25 -4.87 119.36 115.07 3mef n ILE 55 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.93 3mef n ILE 55 Cb 0.72 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.59 3mef n ILE 55 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3mef s GLU 56 N 0.00 0.10 -0.39 0.38 2.02 -0.54 -4.68 118.70 115.59 3mef s GLU 56 Ca 0.00 0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.18 3mef s GLU 56 Cb 0.00 0.03 0.57 0.00 0.10 0.00 0.00 34.13 34.84 3mef s GLU 56 CO 0.00 -0.02 1.79 -1.13 0.02 0.00 0.00 175.26 175.92 3mef n SER 57 N 2.58 3.64 0.00 -0.19 3.41 0.22 -4.10 113.62 119.19 3mef n SER 57 Ca -0.15 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 3mef n SER 57 Cb 0.57 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3mef n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mef n GLY 58 N -0.91 2.50 0.00 5.00 0.00 -1.26 -3.98 105.19 106.54 3mef n GLY 58 Ca 0.51 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mef n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mef n ALA 59 N 0.00 0.00 -0.31 4.61 0.00 -1.26 -4.98 120.51 118.57 3mef n ALA 59 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3mef n ALA 59 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 3mef n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3mef h LYS 60 N 0.00 0.15 0.00 0.00 1.63 -2.00 -3.46 116.57 112.89 3mef h LYS 60 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3mef h LYS 60 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3mef h LYS 60 CO 0.00 0.10 0.00 0.41 -3.45 0.00 0.00 179.45 176.51 3mef n GLY 61 N -1.39 0.61 3.81 5.01 0.00 -1.26 -5.06 105.19 106.91 3mef n GLY 61 Ca 0.23 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3mef n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mef s PRO 62 N -0.37 3.28 0.00 1.61 0.04 -1.26 0.72 135.00 139.02 3mef s PRO 62 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3mef s PRO 62 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3mef s PRO 62 CO 0.00 -0.83 0.00 0.00 0.04 0.00 0.00 177.00 176.21 3mef n ALA 63 N -2.28 0.00 -1.00 8.56 0.00 -1.26 -4.25 120.51 120.28 3mef n ALA 63 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3mef n ALA 63 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3mef n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mef n ALA 64 N 0.00 0.00 0.00 0.00 0.00 -0.94 -1.47 120.51 118.10 3mef n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mef n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mef n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mef n GLY 65 N 3.63 2.10 3.19 0.00 0.00 -1.26 -1.72 105.19 111.13 3mef n GLY 65 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3mef n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mef n ASN 66 N 0.00 -6.90 -4.55 1.61 3.02 -1.26 -0.13 115.26 107.05 3mef n ASN 66 Ca 0.00 -0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 3mef n ASN 66 Cb 0.00 -5.21 -0.03 0.00 -0.61 0.00 0.00 39.78 33.93 3mef n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mef s VAL 67 N -3.30 3.82 -0.04 2.41 1.01 -1.19 -3.88 120.40 119.22 3mef s VAL 67 Ca 0.35 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.81 3mef s VAL 67 Cb -0.05 -4.87 -0.02 0.00 0.00 0.00 0.00 36.38 31.44 3mef s VAL 67 CO 0.74 -1.74 -0.20 0.28 0.00 0.00 0.00 175.10 174.17 3mef s THR 68 N 5.48 2.57 0.99 3.92 -1.32 -0.22 -3.08 115.64 123.98 3mef s THR 68 Ca 0.35 -0.91 -0.16 0.00 -1.21 0.00 0.00 61.69 59.77 3mef s THR 68 Cb -0.09 -1.96 -0.07 0.00 -1.51 0.00 0.00 72.50 68.87 3mef s THR 68 CO 0.16 0.58 -0.35 -1.54 -2.21 0.00 0.00 174.62 171.27 3mef n SER 69 N 2.44 -4.21 0.00 8.08 3.41 -1.26 -0.65 113.62 121.42 3mef n SER 69 Ca -0.17 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3mef n SER 69 Cb 0.52 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3mef n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88