#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnl n GLU 2 N 0.00 0.00 -0.49 1.61 0.28 0.19 -4.92 120.64 117.30 1mnl n GLU 2 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1mnl n GLU 2 Cb 0.00 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.05 1mnl n GLU 2 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 1mnl n TRP 3 N -0.32 -3.45 0.00 -1.84 2.14 -1.26 -2.47 117.44 110.25 1mnl n TRP 3 Ca 0.00 -0.61 0.00 0.00 2.07 0.00 0.00 57.50 58.96 1mnl n TRP 3 Cb 0.00 -0.78 0.00 0.00 -0.81 0.00 0.00 31.31 29.72 1mnl n TRP 3 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1mnl n GLU 4 N -4.01 0.00 -2.51 -2.67 1.02 0.58 -4.80 120.64 108.25 1mnl n GLU 4 Ca 0.10 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.00 1mnl n GLU 4 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.85 1mnl n GLU 4 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1mnl s ILE 5 N 0.00 2.99 0.00 -3.67 -5.25 -1.26 0.22 121.20 114.22 1mnl s ILE 5 Ca 0.00 -0.37 0.00 0.00 -0.99 0.00 0.00 60.65 59.29 1mnl s ILE 5 Cb 0.00 -3.18 0.00 0.00 2.95 0.00 0.00 42.46 42.23 1mnl s ILE 5 CO 0.00 -0.16 0.00 2.30 -1.79 0.00 0.00 174.94 175.29 1mnl n ILE 6 N -2.53 0.00 -2.76 8.37 -6.64 -1.18 -4.81 119.36 109.81 1mnl n ILE 6 Ca 0.06 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.89 1mnl n ILE 6 Cb 0.59 -0.24 0.01 0.00 -1.44 0.00 0.00 39.64 38.55 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1mnl n ASP 7 N -0.08 2.04 -4.39 7.28 2.03 -1.26 -4.96 116.55 117.21 1mnl n ASP 7 Ca 0.00 -3.00 -0.35 0.00 0.52 0.00 0.00 54.79 51.95 1mnl n ASP 7 Cb 0.00 -0.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.77 1mnl n ASP 7 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1mnl n ILE 8 N -0.07 -0.60 0.01 5.18 -5.35 -1.26 -4.71 119.36 112.56 1mnl n ILE 8 Ca 0.19 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1mnl n ILE 8 Cb 0.73 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mnl n GLY 9 N -1.98 -0.13 0.04 3.28 0.00 -1.26 -4.85 105.19 100.30 1mnl n GLY 9 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1mnl n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mnl h PRO 10 N 0.00 -0.03 -1.11 1.61 0.13 -1.99 -3.17 132.00 127.44 1mnl h PRO 10 Ca 0.00 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.44 1mnl h PRO 10 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 1mnl h PRO 10 CO 0.00 -0.02 0.72 0.74 -0.23 0.00 0.00 178.00 179.21 1mnl h PHE 11 N -0.64 0.60 0.10 1.56 -1.00 -1.96 0.70 116.94 116.30 1mnl h PHE 11 Ca -0.00 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1mnl h PHE 11 Cb 0.02 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 1mnl h PHE 11 CO 0.00 -0.00 -0.43 1.79 -1.61 0.00 0.00 178.31 178.06 1mnl h THR 12 N 0.30 0.14 0.00 -1.55 1.35 -1.89 0.64 112.91 111.91 1mnl h THR 12 Ca 0.64 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.50 1mnl h THR 12 Cb 1.78 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1mnl h THR 12 CO -0.31 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.35 1mnl h GLN 13 N -0.65 0.00 0.00 4.72 4.15 0.25 -3.02 115.11 120.56 1mnl h GLN 13 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1mnl h GLN 13 Cb 0.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1mnl h GLN 13 CO -0.26 0.00 -0.02 -0.91 -1.93 0.00 0.00 178.83 175.70 1mnl h ASN 14 N 0.00 0.00 -1.67 -0.69 -0.26 0.34 -3.10 115.58 110.21 1mnl h ASN 14 Ca 0.00 0.00 0.48 0.00 -0.56 0.00 0.00 56.30 56.22 1mnl h ASN 14 Cb 0.19 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.39 1mnl h ASN 14 CO 0.00 0.10 1.32 0.17 -1.06 0.00 0.00 177.43 177.96 1mnl h LEU 15 N -0.17 0.00 0.15 1.61 8.10 -0.16 1.01 115.31 125.85 1mnl h LEU 15 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1mnl h LEU 15 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1mnl h LEU 15 CO 0.00 0.00 -0.07 1.23 -4.11 0.00 0.00 178.44 175.49 1mnl h GLY 16 N 0.00 -0.20 0.96 0.17 0.00 -1.63 -1.76 103.07 100.60 1mnl h GLY 16 Ca 0.79 0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.99 1mnl h GLY 16 CO -0.01 -0.07 -0.84 0.50 0.00 0.00 0.00 176.54 176.12 1mnl h LYS 17 N -0.77 0.51 0.43 4.80 6.56 0.56 -3.02 116.57 125.64 1mnl h LYS 17 Ca -0.02 -0.60 -0.02 0.00 -1.06 0.00 0.00 60.65 58.95 1mnl h LYS 17 Cb 0.53 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1mnl h LYS 17 CO 0.03 1.22 -0.21 0.74 -2.06 0.00 0.00 179.45 179.18 1mnl h PHE 18 N 0.06 -0.53 -0.21 -1.35 0.04 0.53 -2.66 116.94 112.83 1mnl h PHE 18 Ca -0.11 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.67 1mnl h PHE 18 Cb 1.54 0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.84 1mnl h PHE 18 CO 0.14 -0.33 -0.21 0.00 -0.60 0.00 0.00 178.31 177.30 1mnl h ALA 19 N -1.64 -0.41 -1.20 2.45 0.00 -1.45 1.17 119.26 118.17 1mnl h ALA 19 Ca -0.06 0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.21 1mnl h ALA 19 Cb 0.44 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1mnl h ALA 19 CO 0.10 -0.53 1.14 -0.39 0.00 0.00 0.00 179.25 179.57 1mnl h VAL 20 N -0.11 0.08 0.00 0.00 -1.51 -1.61 1.89 116.25 114.99 1mnl h VAL 20 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1mnl h VAL 20 Cb 0.21 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 1mnl h VAL 20 CO -0.26 0.00 -0.01 -0.67 -1.23 0.00 0.00 177.57 175.40 1mnl n ASP 21 N -3.55 0.03 -0.17 4.19 -0.08 0.32 -2.54 116.55 114.75 1mnl n ASP 21 Ca 0.27 0.14 0.12 0.00 -1.51 0.00 0.00 54.79 53.80 1mnl n ASP 21 Cb 1.51 -0.50 0.45 0.00 2.34 0.00 0.00 41.12 44.92 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1mnl h GLU 22 N -0.01 0.51 0.51 -0.67 4.39 0.13 1.92 114.58 121.36 1mnl h GLU 22 Ca 0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1mnl h GLU 22 Cb 0.01 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1mnl h GLU 22 CO 0.00 0.34 -0.24 1.49 -1.16 0.00 0.00 179.01 179.43 1mnl h GLU 23 N 0.53 -0.66 -0.70 2.33 4.22 0.29 1.63 114.58 122.22 1mnl h GLU 23 Ca 0.35 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.97 1mnl h GLU 23 Cb 0.64 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 1mnl h GLU 23 CO -0.12 -0.42 0.23 -0.97 -2.18 0.00 0.00 179.01 175.55 1mnl h ASN 24 N -1.17 0.16 0.31 1.04 -0.73 -1.10 0.58 115.58 114.67 1mnl h ASN 24 Ca -0.07 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1mnl h ASN 24 Cb 0.54 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 1mnl h ASN 24 CO 0.11 0.06 -0.24 0.50 -0.37 0.00 0.00 177.43 177.50 1mnl h LYS 25 N 0.36 -0.53 0.00 6.67 3.11 0.31 0.62 116.57 127.12 1mnl h LYS 25 Ca 0.38 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1mnl h LYS 25 Cb 0.58 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1mnl h LYS 25 CO -0.41 -0.35 0.14 0.97 -2.81 0.00 0.00 179.45 176.98 1mnl h ILE 26 N -0.55 0.00 -2.30 2.00 -0.00 0.47 -3.46 117.51 113.67 1mnl h ILE 26 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 1mnl h ILE 26 Cb 0.48 0.78 0.00 0.00 -0.00 0.00 0.00 36.82 38.08 1mnl h ILE 26 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 1mnl n GLY 27 N -1.17 -0.07 0.70 8.18 0.00 0.18 -5.05 105.19 107.97 1mnl n GLY 27 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1mnl n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mnl n GLN 28 N -0.73 0.00 0.00 1.61 0.00 -1.06 -5.00 117.38 112.20 1mnl n GLN 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1mnl n GLN 28 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.59 1mnl n GLN 28 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1mnl n TYR 29 N -1.79 0.00 0.00 3.69 9.36 -1.26 -5.03 117.16 122.13 1mnl n TYR 29 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1mnl n TYR 29 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1mnl n GLY 30 N 2.29 1.41 0.00 2.98 0.00 -1.26 -4.98 105.19 105.62 1mnl n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mnl n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 31 N -1.09 0.62 -2.81 1.61 5.12 -1.26 -5.03 116.66 113.82 1mnl n ARG 31 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1mnl n ARG 31 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mnl s LEU 32 N 0.00 3.86 -0.34 0.55 2.01 -1.26 -4.51 118.68 118.99 1mnl s LEU 32 Ca 0.00 1.40 0.16 0.00 0.01 0.00 0.00 54.13 55.70 1mnl s LEU 32 Cb 0.00 -4.27 0.45 0.00 0.01 0.00 0.00 46.19 42.38 1mnl s LEU 32 CO 0.00 -0.39 0.96 0.41 1.01 0.00 0.00 176.35 178.34 1mnl n THR 33 N -0.98 1.08 -3.60 5.49 -1.04 -1.26 -4.85 114.28 109.12 1mnl n THR 33 Ca 0.05 -3.32 -0.02 0.00 -2.04 0.00 0.00 64.05 58.72 1mnl n THR 33 Cb 0.54 0.43 -0.05 0.00 -1.82 0.00 0.00 70.33 69.43 1mnl n THR 33 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1mnl s PHE 34 N -3.13 -1.09 0.44 -1.42 -0.71 -1.26 -4.04 117.98 106.78 1mnl s PHE 34 Ca 0.30 1.96 0.00 0.00 -1.04 0.00 0.00 56.93 58.14 1mnl s PHE 34 Cb 0.45 0.65 0.00 0.00 -1.21 0.00 0.00 43.02 42.91 1mnl s PHE 34 CO 0.01 -0.54 0.00 -1.71 -1.34 0.00 0.00 175.22 171.64 1mnl n ASN 35 N 4.96 -3.71 0.00 1.98 2.85 -1.26 -4.40 115.26 115.68 1mnl n ASN 35 Ca -0.14 0.84 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 1mnl n ASN 35 Cb 0.53 3.48 0.00 0.00 1.24 0.00 0.00 39.78 45.02 1mnl n ASN 35 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1mnl n LYS 36 N -3.43 0.00 -3.83 1.20 4.76 -1.14 -4.89 118.16 110.84 1mnl n LYS 36 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1mnl n LYS 36 Cb 0.00 -0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.18 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1mnl s VAL 37 N 0.00 0.00 -0.30 -0.18 1.01 0.75 -4.95 120.40 116.73 1mnl s VAL 37 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1mnl s VAL 37 Cb 0.00 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 34.10 1mnl s VAL 37 CO 0.00 0.00 0.02 0.27 0.00 0.00 0.00 175.10 175.39 1mnl s ILE 38 N -3.18 1.78 -0.15 2.22 -0.00 -1.26 -1.60 121.20 119.02 1mnl s ILE 38 Ca 0.13 -1.80 -0.16 0.00 -0.00 0.00 0.00 60.65 58.82 1mnl s ILE 38 Cb -0.05 -2.21 -0.05 0.00 -0.00 0.00 0.00 42.46 40.14 1mnl s ILE 38 CO 0.08 -0.44 -0.30 0.54 -0.00 0.00 0.00 174.94 174.81 1mnl n ARG 39 N 4.50 0.46 -1.51 0.37 5.12 -1.26 -4.39 116.66 119.95 1mnl n ARG 39 Ca -0.03 0.18 -0.30 0.00 -1.93 0.00 0.00 57.85 55.78 1mnl n ARG 39 Cb 0.42 -1.31 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1mnl n PRO 40 N -4.29 3.16 -3.55 5.56 -0.04 -1.17 -4.89 135.00 129.79 1mnl n PRO 40 Ca -0.12 -2.38 -0.41 0.00 -0.04 0.00 0.00 63.50 60.55 1mnl n PRO 40 Cb 0.45 -2.36 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 1mnl n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mnl s MET 42 N 1.61 2.23 -0.14 0.00 -1.94 0.24 -3.13 119.30 118.18 1mnl s MET 42 Ca 0.03 -2.06 -0.05 0.00 -1.71 0.00 0.00 55.69 51.90 1mnl s MET 42 Cb -0.19 -1.92 0.07 0.00 2.01 0.00 0.00 34.83 34.80 1mnl s MET 42 CO 0.08 -0.39 0.29 0.21 -0.01 0.00 0.00 175.02 175.20 1mnl s LYS 43 N -4.06 0.18 0.28 2.03 2.20 0.58 -2.76 119.74 118.20 1mnl s LYS 43 Ca 0.29 0.78 0.10 0.00 -0.36 0.00 0.00 55.97 56.78 1mnl s LYS 43 Cb 0.01 0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1mnl s LYS 43 CO 0.17 -0.27 -0.03 0.21 -0.36 0.00 0.00 175.35 175.06 1mnl s LYS 44 N 2.37 2.14 -0.03 4.03 2.47 -0.99 0.21 119.74 129.94 1mnl s LYS 44 Ca 0.00 -1.54 -0.29 0.00 -1.56 0.00 0.00 55.97 52.58 1mnl s LYS 44 Cb -0.12 -2.05 0.09 0.00 -1.46 0.00 0.00 37.83 34.29 1mnl s LYS 44 CO -0.09 0.31 0.78 0.99 0.16 0.00 0.00 175.35 177.50 1mnl s THR 45 N -2.40 0.00 -0.31 3.43 2.01 -1.03 -2.29 115.64 115.05 1mnl s THR 45 Ca 0.32 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1mnl s THR 45 Cb -0.05 -1.00 0.46 0.00 0.01 0.00 0.00 72.50 71.92 1mnl s THR 45 CO 0.19 0.00 1.17 0.00 -0.69 0.00 0.00 174.62 175.29 1mnl n ILE 46 N 0.44 2.37 -0.04 1.82 0.13 -1.11 0.53 119.36 123.50 1mnl n ILE 46 Ca -0.15 -4.19 0.00 0.00 -1.10 0.00 0.00 62.75 57.31 1mnl n ILE 46 Cb 0.59 -0.91 0.00 0.00 -0.84 0.00 0.00 39.64 38.48 1mnl n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1mnl n TYR 47 N -0.66 0.00 0.00 9.51 4.11 -1.08 -3.00 117.16 126.05 1mnl n TYR 47 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.29 1mnl n TYR 47 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.25 1mnl n TYR 47 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1mnl n GLU 48 N 0.00 1.29 0.00 -3.48 0.28 -1.26 -3.22 120.64 114.24 1mnl n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1mnl n GLU 48 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1mnl n GLU 48 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1mnl n ASN 49 N 0.00 0.00 -0.08 -1.84 0.23 -1.26 -2.92 115.26 109.39 1mnl n ASN 49 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.93 1mnl n ASN 49 Cb 0.00 0.26 -0.07 0.00 -2.08 0.00 0.00 39.78 37.89 1mnl n ASN 49 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1mnl n GLU 50 N -2.02 0.40 -0.09 -3.83 4.71 -1.26 -4.96 120.64 113.60 1mnl n GLU 50 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1mnl n GLU 50 Cb 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1mnl n GLU 50 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1mnl n ARG 51 N -3.06 0.00 0.00 3.49 0.00 -1.26 -5.15 116.66 110.68 1mnl n ARG 51 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.56 1mnl n ARG 51 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.26 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1mnl n GLU 52 N 0.00 3.54 -3.62 2.89 0.28 -1.26 -5.08 120.64 117.39 1mnl n GLU 52 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1mnl n GLU 52 Cb 0.20 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.01 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1mnl s ILE 53 N 3.64 0.00 0.00 3.84 1.09 -1.26 -4.22 121.20 124.29 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -0.10 0.00 0.00 174.94 175.13 1mnl n LYS 54 N 1.54 0.00 -4.14 2.79 5.02 -1.26 -3.61 118.16 118.49 1mnl n LYS 54 Ca -0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.04 1mnl n LYS 54 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.51 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mnl s GLY 55 N -2.61 1.50 -0.25 0.72 0.00 -1.16 0.66 107.32 106.17 1mnl s GLY 55 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1mnl s GLY 55 CO 0.00 -1.14 0.42 -0.47 0.00 0.00 0.00 173.10 171.91 1mnl s TYR 56 N -3.57 -0.97 -0.12 1.90 5.04 -0.55 -2.63 117.35 116.46 1mnl s TYR 56 Ca 0.33 1.01 0.02 0.00 -2.44 0.00 0.00 57.07 55.99 1mnl s TYR 56 Cb 0.02 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.47 1mnl s TYR 56 CO 0.18 -0.74 -0.15 -1.83 -1.34 0.00 0.00 175.55 171.66 1mnl s GLU 57 N 2.60 2.28 0.38 4.97 1.03 -0.97 0.79 118.70 129.78 1mnl s GLU 57 Ca 0.14 -0.58 0.06 0.00 0.03 0.00 0.00 54.97 54.62 1mnl s GLU 57 Cb -0.15 -1.96 -0.07 0.00 -0.80 0.00 0.00 34.13 31.15 1mnl s GLU 57 CO -0.17 -0.09 0.02 1.52 -1.33 0.00 0.00 175.26 175.21 1mnl s TYR 58 N 1.06 2.34 -0.07 4.83 1.13 -0.71 -2.34 117.35 123.59 1mnl s TYR 58 Ca -0.05 -0.75 -0.00 0.00 -1.41 0.00 0.00 57.07 54.86 1mnl s TYR 58 Cb -0.15 -1.60 0.02 0.00 -1.10 0.00 0.00 41.96 39.14 1mnl s TYR 58 CO -0.03 0.32 -0.03 -0.65 -2.51 0.00 0.00 175.55 172.65 1mnl s GLN 59 N -3.76 0.91 -0.64 -3.49 1.11 -1.11 -2.91 119.66 109.76 1mnl s GLN 59 Ca 0.35 -0.05 0.06 0.00 0.01 0.00 0.00 55.36 55.73 1mnl s GLN 59 Cb 0.09 -1.08 0.23 0.00 -1.01 0.00 0.00 33.01 31.24 1mnl s GLN 59 CO 0.17 -0.22 0.67 -0.11 0.01 0.00 0.00 175.29 175.81 1mnl n LEU 60 N 4.74 3.37 -4.59 2.90 7.94 -1.11 -0.59 117.00 129.67 1mnl n LEU 60 Ca -0.14 -5.34 -0.42 0.00 -1.11 0.00 0.00 56.01 49.00 1mnl n LEU 60 Cb 0.50 -0.61 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 1mnl n LEU 60 CO 0.16 1.98 1.56 -0.47 -1.11 0.00 0.00 177.39 179.52 1mnl s TYR 61 N -2.15 1.75 0.00 1.96 5.04 -0.89 -1.89 117.35 121.17 1mnl s TYR 61 Ca 0.36 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1mnl s TYR 61 Cb 0.10 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1mnl s TYR 61 CO -0.06 -2.76 0.00 1.33 -1.34 0.00 0.00 175.55 172.72 1mnl n VAL 62 N 7.38 0.00 -3.76 3.14 0.24 0.32 -3.02 118.33 122.64 1mnl n VAL 62 Ca 0.23 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.38 1mnl n VAL 62 Cb 0.48 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.70 1mnl n VAL 62 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1mnl s TYR 63 N -3.12 -0.02 0.00 6.34 5.04 -0.63 -1.46 117.35 123.51 1mnl s TYR 63 Ca 0.00 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1mnl s TYR 63 Cb 0.00 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.10 1mnl s TYR 63 CO 0.00 -0.12 0.00 0.00 -1.34 0.00 0.00 175.55 174.09 1mnl n ALA 64 N 4.28 0.00 0.25 3.97 0.00 -1.18 -0.18 120.51 127.66 1mnl n ALA 64 Ca -0.26 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1mnl n ALA 64 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.05 1mnl n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mnl h SER 65 N 0.00 0.00 0.00 0.00 4.64 -1.84 -3.07 113.55 113.28 1mnl h SER 65 Ca 0.00 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 1mnl h SER 65 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1mnl h SER 65 CO 0.00 0.02 -0.09 -0.90 -0.87 0.00 0.00 176.83 174.99 1mnl n ASP 66 N -2.66 -0.31 -3.57 4.97 5.75 -1.26 -5.02 116.55 114.44 1mnl n ASP 66 Ca 0.02 -1.19 -0.30 0.00 -0.01 0.00 0.00 54.79 53.31 1mnl n ASP 66 Cb 0.52 0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.63 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1mnl n LYS 67 N 0.00 2.72 -1.17 0.11 4.81 -1.26 -4.92 118.16 118.45 1mnl n LYS 67 Ca -0.09 -4.64 -0.21 0.00 -0.87 0.00 0.00 58.31 52.51 1mnl n LYS 67 Cb 0.51 -2.30 -0.12 0.00 0.02 0.00 0.00 35.03 33.14 1mnl n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1mnl n LEU 68 N 1.07 6.28 0.00 3.14 4.77 -1.26 -3.08 117.00 127.92 1mnl n LEU 68 Ca 0.28 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.64 1mnl n LEU 68 Cb 0.39 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1mnl n LEU 68 CO 0.43 1.80 0.00 2.22 -1.33 0.00 0.00 177.39 180.52 1mnl n PHE 69 N 2.50 0.00 -3.76 -1.77 1.16 -0.53 -3.77 117.46 111.29 1mnl n PHE 69 Ca 0.52 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.74 1mnl n PHE 69 Cb 0.70 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.44 1mnl n PHE 69 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1mnl s ARG 70 N 1.61 3.60 -0.55 3.97 3.52 0.58 0.12 118.95 131.80 1mnl s ARG 70 Ca 0.00 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 54.81 1mnl s ARG 70 Cb 0.00 -3.32 0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1mnl s ARG 70 CO 0.00 -0.21 1.15 0.00 -0.81 0.00 0.00 175.30 175.44 1mnl s ALA 71 N 1.60 3.05 0.48 6.12 0.00 -0.79 -2.89 121.76 129.34 1mnl s ALA 71 Ca 0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1mnl s ALA 71 Cb -0.15 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 1mnl s ALA 71 CO 0.03 -2.53 0.78 0.34 0.00 0.00 0.00 175.76 174.39 1mnl s ASP 72 N 2.81 6.22 -0.30 0.00 2.15 -0.91 -2.75 116.67 123.89 1mnl s ASP 72 Ca 0.43 0.88 -0.04 0.00 0.43 0.00 0.00 52.55 54.26 1mnl s ASP 72 Cb -0.08 -2.19 0.17 0.00 -0.30 0.00 0.00 42.92 40.52 1mnl s ASP 72 CO 0.27 -0.60 0.64 -0.51 -0.17 0.00 0.00 175.17 174.80 1mnl s ILE 73 N -2.74 -0.96 -0.03 4.11 -1.16 -1.15 -1.30 121.20 117.98 1mnl s ILE 73 Ca 0.47 0.00 -0.02 0.00 -0.51 0.00 0.00 60.65 60.59 1mnl s ILE 73 Cb -0.10 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.93 1mnl s ILE 73 CO 0.44 0.00 0.10 -0.55 -2.81 0.00 0.00 174.94 172.13 1mnl s SER 74 N 2.87 5.88 -0.27 4.50 0.15 -0.03 -1.74 113.70 125.06 1mnl s SER 74 Ca 0.13 0.23 -0.00 0.00 0.70 0.00 0.00 55.95 57.01 1mnl s SER 74 Cb -0.14 -1.75 0.16 0.00 -1.71 0.00 0.00 66.02 62.57 1mnl s SER 74 CO -0.20 0.30 0.44 -1.61 1.20 0.00 0.00 173.24 173.37 1mnl s GLU 75 N -1.58 0.42 1.08 5.44 2.02 0.24 -2.20 118.70 124.13 1mnl s GLU 75 Ca 0.22 0.47 -0.18 0.00 0.02 0.00 0.00 54.97 55.49 1mnl s GLU 75 Cb -0.12 -0.20 0.12 0.00 0.10 0.00 0.00 34.13 34.02 1mnl s GLU 75 CO 0.12 -0.81 0.04 -0.40 0.02 0.00 0.00 175.26 174.23 1mnl n ASP 76 N 5.37 -2.71 0.00 -0.19 5.75 0.40 -1.48 116.55 123.70 1mnl n ASP 76 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1mnl n ASP 76 Cb 0.50 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mnl n TYR 77 N -4.42 -0.72 0.00 2.11 4.19 0.21 -4.65 117.16 113.89 1mnl n TYR 77 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1mnl n TYR 77 Cb 0.53 0.35 0.00 0.00 0.49 0.00 0.00 39.34 40.71 1mnl n TYR 77 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1mnl n LYS 78 N -2.05 2.24 -0.18 2.98 3.00 -0.13 -4.60 118.16 119.41 1mnl n LYS 78 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 1mnl n LYS 78 Cb 0.00 -0.99 0.19 0.00 0.00 0.00 0.00 35.03 34.23 1mnl n LYS 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1mnl n THR 79 N -2.20 0.49 -2.83 3.15 -1.04 -1.17 -4.92 114.28 105.75 1mnl n THR 79 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1mnl n THR 79 Cb 0.49 0.28 0.05 0.00 -1.82 0.00 0.00 70.33 69.34 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1mnl n ARG 80 N 0.61 -2.92 0.00 -2.82 3.00 -1.26 -5.00 116.66 108.27 1mnl n ARG 80 Ca 0.13 0.59 0.00 0.00 -0.01 0.00 0.00 57.85 58.56 1mnl n ARG 80 Cb 0.33 -4.62 0.00 0.00 0.00 0.00 0.00 32.46 28.17 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mnl n GLY 81 N -1.21 -1.18 0.00 -0.13 0.00 -1.26 -4.79 105.19 96.62 1mnl n GLY 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1mnl n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 82 N 0.00 0.00 -3.20 1.61 1.74 -1.26 -4.59 116.66 110.97 1mnl n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1mnl n ARG 82 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1mnl n ARG 82 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1mnl s LYS 83 N -0.66 0.58 0.04 5.56 1.02 -1.21 0.15 119.74 125.22 1mnl s LYS 83 Ca 0.00 0.28 -0.07 0.00 0.02 0.00 0.00 55.97 56.20 1mnl s LYS 83 Cb 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1mnl s LYS 83 CO 0.00 -1.08 0.34 1.47 -0.92 0.00 0.00 175.35 175.16 1mnl n LEU 84 N 5.19 0.00 -3.66 3.17 -0.00 -0.93 -4.92 117.00 115.85 1mnl n LEU 84 Ca 0.05 -0.34 -0.03 0.00 -0.00 0.00 0.00 56.01 55.69 1mnl n LEU 84 Cb 0.53 0.76 -0.01 0.00 -0.00 0.00 0.00 43.42 44.70 1mnl n LEU 84 CO -0.04 -0.11 0.85 -1.48 -0.00 0.00 0.00 177.39 176.61 1mnl s LEU 85 N 0.00 -0.16 0.00 1.47 2.34 -1.25 -0.85 118.68 120.23 1mnl s LEU 85 Ca 0.08 -0.23 0.03 0.00 0.06 0.00 0.00 54.13 54.06 1mnl s LEU 85 Cb -0.01 1.82 -0.01 0.00 -0.56 0.00 0.00 46.19 47.44 1mnl s LEU 85 CO 0.01 -0.61 0.23 0.54 -1.06 0.00 0.00 176.35 175.46 1mnl n ARG 86 N -0.41 0.34 -2.83 1.48 1.74 -0.42 -4.80 116.66 111.75 1mnl n ARG 86 Ca -0.07 -2.00 -0.11 0.00 -0.77 0.00 0.00 57.85 54.90 1mnl n ARG 86 Cb 0.61 1.74 0.04 0.00 -1.02 0.00 0.00 32.46 33.84 1mnl n ARG 86 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mnl n PHE 87 N -0.39 -2.60 -2.43 -1.55 3.72 -1.24 -2.13 117.46 110.84 1mnl n PHE 87 Ca 0.03 -2.23 0.00 0.00 -0.05 0.00 0.00 57.45 55.20 1mnl n PHE 87 Cb 0.38 1.20 0.00 0.00 -0.94 0.00 0.00 39.48 40.12 1mnl n PHE 87 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1mnl n ASN 88 N 1.20 0.00 -1.97 4.37 0.23 -1.14 -4.77 115.26 113.18 1mnl n ASN 88 Ca 0.11 -0.14 -0.06 0.00 -0.53 0.00 0.00 54.58 53.96 1mnl n ASN 88 Cb 0.64 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.36 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mnl n GLY 89 N 0.00 0.18 3.37 4.83 0.00 -1.26 0.21 105.19 112.52 1mnl n GLY 89 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1mnl n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mnl s PRO 90 N -4.01 -2.42 0.00 1.61 0.04 -1.26 -3.80 135.00 125.17 1mnl s PRO 90 Ca 0.08 0.21 0.16 0.00 0.04 0.00 0.00 61.00 61.49 1mnl s PRO 90 Cb -0.01 -1.43 0.95 0.00 0.04 0.00 0.00 34.50 34.05 1mnl s PRO 90 CO 0.26 -4.56 1.36 0.28 0.04 0.00 0.00 177.00 174.38