#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnl s GLU 2 N 0.00 0.46 0.15 1.61 0.41 0.01 -5.00 118.70 116.35 1mnl s GLU 2 Ca 0.00 -0.11 0.09 0.00 -0.41 0.00 0.00 54.97 54.54 1mnl s GLU 2 Cb 0.00 -0.49 -0.04 0.00 -1.78 0.00 0.00 34.13 31.82 1mnl s GLU 2 CO 0.00 0.02 -0.14 1.67 -0.49 0.00 0.00 175.26 176.32 1mnl s TRP 3 N 0.31 2.57 -0.28 1.61 1.48 -1.26 -1.04 118.94 122.33 1mnl s TRP 3 Ca -0.03 -0.24 -0.20 0.00 -1.06 0.00 0.00 56.10 54.57 1mnl s TRP 3 Cb -0.07 -1.30 0.10 0.00 -1.16 0.00 0.00 33.47 31.04 1mnl s TRP 3 CO -0.00 0.46 0.83 -1.83 -4.06 0.00 0.00 176.95 172.35 1mnl s GLU 4 N -2.54 0.62 0.86 3.25 -1.05 0.87 -4.97 118.70 115.75 1mnl s GLU 4 Ca 0.22 0.93 -0.12 0.00 -0.15 0.00 0.00 54.97 55.85 1mnl s GLU 4 Cb -0.09 0.20 0.15 0.00 -0.44 0.00 0.00 34.13 33.95 1mnl s GLU 4 CO 0.13 -0.11 1.21 0.96 0.95 0.00 0.00 175.26 178.40 1mnl s ILE 5 N 1.03 2.06 0.00 1.83 -4.36 -1.26 -0.01 121.20 120.48 1mnl s ILE 5 Ca -0.05 -0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 1mnl s ILE 5 Cb -0.05 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1mnl s ILE 5 CO -0.12 0.00 0.00 2.30 0.24 0.00 0.00 174.94 177.36 1mnl n ILE 6 N -3.43 0.00 -2.64 8.37 -0.00 -1.17 -4.78 119.36 115.72 1mnl n ILE 6 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.75 1mnl n ILE 6 Cb 0.60 -0.38 0.02 0.00 -0.00 0.00 0.00 39.64 39.88 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1mnl n ASP 7 N -0.49 2.03 -4.45 7.28 2.03 -1.26 -4.96 116.55 116.72 1mnl n ASP 7 Ca 0.00 -2.90 -0.38 0.00 0.52 0.00 0.00 54.79 52.03 1mnl n ASP 7 Cb 0.00 -0.52 -0.09 0.00 -0.72 0.00 0.00 41.12 39.79 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mnl n ILE 8 N -0.13 -0.43 0.08 5.18 3.06 -1.26 -4.70 119.36 121.16 1mnl n ILE 8 Ca 0.15 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1mnl n ILE 8 Cb 0.79 -0.73 0.00 0.00 0.54 0.00 0.00 39.64 40.24 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1mnl n GLY 9 N -1.67 -0.19 0.05 4.50 0.00 -1.26 -4.83 105.19 101.80 1mnl n GLY 9 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -1.00 1.61 0.13 -1.98 -3.19 132.00 127.57 1mnl h PRO 10 Ca 0.00 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.40 1mnl h PRO 10 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1mnl h PRO 10 CO 0.00 0.00 0.70 0.74 -0.23 0.00 0.00 178.00 179.21 1mnl h PHE 11 N -0.83 0.20 0.88 1.56 -1.00 -1.95 1.81 116.94 117.60 1mnl h PHE 11 Ca 0.00 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1mnl h PHE 11 Cb 0.26 -0.06 0.01 0.00 3.61 0.00 0.00 35.95 39.77 1mnl h PHE 11 CO -0.11 0.03 -0.42 1.79 -1.61 0.00 0.00 178.31 177.99 1mnl h THR 12 N 0.13 0.13 0.00 -1.55 1.35 -1.88 1.63 112.91 112.72 1mnl h THR 12 Ca 0.50 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1mnl h THR 12 Cb 1.74 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1mnl h THR 12 CO -0.08 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.58 1mnl h GLN 13 N -1.19 0.00 0.06 4.72 4.15 -0.57 -3.03 115.11 119.26 1mnl h GLN 13 Ca -0.12 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1mnl h GLN 13 Cb 0.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1mnl h GLN 13 CO 0.20 0.00 -0.03 -0.97 -1.93 0.00 0.00 178.83 176.10 1mnl h ASN 14 N 0.00 -0.07 -0.33 -0.69 -1.24 0.38 -3.00 115.58 110.64 1mnl h ASN 14 Ca 0.00 -0.32 0.03 0.00 0.71 0.00 0.00 56.30 56.72 1mnl h ASN 14 Cb 0.33 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 1mnl h ASN 14 CO 0.00 0.57 -0.23 0.25 -1.29 0.00 0.00 177.43 176.73 1mnl h LEU 15 N -0.99 -0.81 -0.88 0.34 5.85 0.25 0.64 115.31 119.71 1mnl h LEU 15 Ca -0.01 0.12 0.23 0.00 0.84 0.00 0.00 57.88 59.06 1mnl h LEU 15 Cb 0.39 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 41.63 1mnl h LEU 15 CO 0.01 -0.11 0.31 1.23 -0.34 0.00 0.00 178.44 179.55 1mnl h GLY 16 N -0.04 1.45 0.00 3.75 0.00 -1.68 0.96 103.07 107.50 1mnl h GLY 16 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1mnl h GLY 16 CO -0.33 -0.33 0.00 0.28 0.00 0.00 0.00 176.54 176.17 1mnl n LYS 17 N -5.14 0.00 -0.34 4.80 4.01 0.19 -2.95 118.16 118.73 1mnl n LYS 17 Ca 0.22 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1mnl n LYS 17 Cb 0.68 -0.45 0.05 0.00 -0.51 0.00 0.00 35.03 34.79 1mnl n LYS 17 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1mnl n PHE 18 N -0.19 0.06 0.00 2.13 3.01 0.98 -1.45 117.46 121.99 1mnl n PHE 18 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 57.45 59.55 1mnl n PHE 18 Cb 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.62 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mnl n ALA 19 N -3.55 -0.10 -0.22 4.37 0.00 0.33 0.17 120.51 121.52 1mnl n ALA 19 Ca 0.10 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.83 1mnl n ALA 19 Cb 0.36 0.40 0.55 0.00 0.00 0.00 0.00 19.45 20.76 1mnl n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mnl h VAL 20 N 0.00 0.08 0.00 0.00 2.07 -1.13 2.08 116.25 119.35 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1mnl h VAL 20 Cb 0.00 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1mnl h VAL 20 CO 0.00 0.00 -0.22 0.47 0.02 0.00 0.00 177.57 177.84 1mnl n ASP 21 N -3.44 0.68 -0.33 0.57 9.92 0.29 -2.55 116.55 121.70 1mnl n ASP 21 Ca 0.23 0.34 -0.03 0.00 -0.53 0.00 0.00 54.79 54.80 1mnl n ASP 21 Cb 1.41 -0.63 0.09 0.00 -0.64 0.00 0.00 41.12 41.35 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1mnl h GLU 22 N -0.37 1.18 0.30 -1.24 4.39 0.24 1.97 114.58 121.05 1mnl h GLU 22 Ca 0.00 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1mnl h GLU 22 Cb 0.22 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1mnl h GLU 22 CO 0.00 0.79 -0.15 1.49 -1.16 0.00 0.00 179.01 179.98 1mnl h GLU 23 N 1.21 -0.39 -0.30 2.33 4.81 0.33 2.05 114.58 124.61 1mnl h GLU 23 Ca 0.33 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1mnl h GLU 23 Cb -0.13 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1mnl h GLU 23 CO -0.07 -0.21 0.16 -0.97 -0.73 0.00 0.00 179.01 177.19 1mnl h ASN 24 N -0.48 0.39 -0.31 1.04 -0.73 -1.15 1.59 115.58 115.92 1mnl h ASN 24 Ca -0.04 -0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.07 1mnl h ASN 24 Cb 0.36 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1mnl h ASN 24 CO 0.07 0.38 0.09 0.50 -0.37 0.00 0.00 177.43 178.09 1mnl h LYS 25 N 0.37 0.20 0.00 6.67 3.64 0.35 0.78 116.57 128.58 1mnl h LYS 25 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1mnl h LYS 25 Cb 0.08 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1mnl h LYS 25 CO -0.02 0.14 -0.00 0.97 -2.27 0.00 0.00 179.45 178.27 1mnl h ILE 26 N 0.21 0.02 0.00 2.00 -0.00 0.38 -3.44 117.51 116.68 1mnl h ILE 26 Ca 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.96 1mnl h ILE 26 Cb 0.13 1.04 0.00 0.00 -0.00 0.00 0.00 36.82 37.99 1mnl h ILE 26 CO -0.16 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.60 1mnl n GLY 27 N -0.99 1.73 2.48 8.18 0.00 0.25 -5.06 105.19 111.78 1mnl n GLY 27 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.15 -0.35 1.61 -0.06 0.53 -4.87 117.38 116.39 1mnl n GLN 28 Ca 0.00 -4.26 0.03 0.00 -2.00 0.00 0.00 57.00 50.77 1mnl n GLN 28 Cb 0.00 -1.97 0.16 0.00 -4.06 0.00 0.00 30.24 24.38 1mnl n GLN 28 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 1mnl n TYR 29 N 0.59 0.82 -0.22 3.69 0.18 -1.26 -2.77 117.16 118.19 1mnl n TYR 29 Ca 0.28 -0.29 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 1mnl n TYR 29 Cb 0.46 -0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 39.10 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1mnl h GLY 30 N 4.67 -1.30 0.00 -7.48 0.00 -1.94 -3.47 103.07 93.55 1mnl h GLY 30 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1mnl h GLY 30 CO 0.19 -0.26 0.00 0.54 0.00 0.00 0.00 176.54 177.01 1mnl n ARG 31 N -4.67 0.00 -4.10 4.80 1.74 -1.26 -5.17 116.66 108.00 1mnl n ARG 31 Ca -0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1mnl n ARG 31 Cb 0.22 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.60 1mnl n ARG 31 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1mnl n LEU 32 N -0.08 0.00 -2.79 0.55 4.32 -1.26 -4.90 117.00 112.84 1mnl n LEU 32 Ca 0.00 -2.54 -0.11 0.00 -0.02 0.00 0.00 56.01 53.34 1mnl n LEU 32 Cb 0.00 0.38 0.02 0.00 -1.62 0.00 0.00 43.42 42.20 1mnl n LEU 32 CO 0.00 -0.36 -0.13 0.35 -1.22 0.00 0.00 177.39 176.02 1mnl n THR 33 N -0.96 0.69 -3.63 -5.08 -2.24 -1.26 -4.89 114.28 96.92 1mnl n THR 33 Ca -0.15 -3.38 -0.03 0.00 -2.27 0.00 0.00 64.05 58.22 1mnl n THR 33 Cb 0.51 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 1mnl n THR 33 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1mnl s PHE 34 N -2.88 -0.67 0.24 4.78 -0.12 -1.26 -4.06 117.98 114.01 1mnl s PHE 34 Ca 0.30 1.31 0.00 0.00 -0.05 0.00 0.00 56.93 58.49 1mnl s PHE 34 Cb 0.43 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 43.22 1mnl s PHE 34 CO 0.01 -0.33 0.00 -1.71 -0.05 0.00 0.00 175.22 173.14 1mnl n ASN 35 N 3.92 -1.69 0.00 1.98 5.15 -1.26 -4.40 115.26 118.96 1mnl n ASN 35 Ca -0.18 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1mnl n ASN 35 Cb 0.57 1.76 0.00 0.00 -0.53 0.00 0.00 39.78 41.58 1mnl n ASN 35 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1mnl n LYS 36 N -3.04 0.00 -3.89 1.20 4.76 -1.11 -4.86 118.16 111.23 1mnl n LYS 36 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1mnl n LYS 36 Cb 0.00 -0.16 -0.02 0.00 -1.84 0.00 0.00 35.03 33.01 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 -0.49 -0.18 1.01 0.12 -4.96 120.40 115.91 1mnl s VAL 37 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1mnl s VAL 37 Cb 0.00 -2.23 0.15 0.00 0.00 0.00 0.00 36.38 34.29 1mnl s VAL 37 CO 0.00 0.00 0.30 -0.51 0.00 0.00 0.00 175.10 174.89 1mnl s ILE 38 N -3.59 1.55 -0.22 2.22 2.07 -1.26 -1.70 121.20 120.26 1mnl s ILE 38 Ca 0.15 -2.91 -0.13 0.00 -1.41 0.00 0.00 60.65 56.35 1mnl s ILE 38 Cb -0.05 -2.06 -0.09 0.00 0.13 0.00 0.00 42.46 40.39 1mnl s ILE 38 CO 0.09 -0.97 -0.31 -1.14 -1.91 0.00 0.00 174.94 170.70 1mnl n ARG 39 N 3.13 0.50 -1.38 3.50 0.63 -1.26 -4.52 116.66 117.26 1mnl n ARG 39 Ca 0.14 0.22 -0.25 0.00 -0.92 0.00 0.00 57.85 57.03 1mnl n ARG 39 Cb 0.37 -1.34 -0.08 0.00 0.45 0.00 0.00 32.46 31.85 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1mnl n PRO 40 N -4.13 2.77 -3.71 -0.14 -0.04 -1.17 -4.88 135.00 123.69 1mnl n PRO 40 Ca -0.40 -2.04 -0.37 0.00 -0.04 0.00 0.00 63.50 60.66 1mnl n PRO 40 Cb 0.75 -2.25 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 2.19 0.03 0.00 -1.94 0.27 -3.04 119.30 118.43 1mnl s MET 42 Ca 0.06 -2.35 0.01 0.00 -1.71 0.00 0.00 55.69 51.70 1mnl s MET 42 Cb -0.15 -1.59 -0.02 0.00 2.01 0.00 0.00 34.83 35.07 1mnl s MET 42 CO 0.06 -0.37 -0.05 0.21 -0.01 0.00 0.00 175.02 174.86 1mnl s LYS 43 N -3.91 0.43 -0.25 2.03 2.20 0.99 -2.28 119.74 118.95 1mnl s LYS 43 Ca 0.10 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1mnl s LYS 43 Cb 0.02 -0.01 0.12 0.00 -1.51 0.00 0.00 37.83 36.45 1mnl s LYS 43 CO 0.05 -0.03 0.31 0.15 -0.36 0.00 0.00 175.35 175.48 1mnl s LYS 44 N -1.88 0.30 0.15 4.03 1.02 -0.86 -0.09 119.74 122.41 1mnl s LYS 44 Ca -0.10 0.21 0.08 0.00 0.02 0.00 0.00 55.97 56.17 1mnl s LYS 44 Cb -0.07 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.47 1mnl s LYS 44 CO -0.02 -0.79 -0.07 0.99 -0.92 0.00 0.00 175.35 174.54 1mnl s THR 45 N 2.43 3.41 -0.32 2.17 2.01 -0.20 -2.47 115.64 122.67 1mnl s THR 45 Ca 0.10 -1.43 0.07 0.00 0.31 0.00 0.00 61.69 60.74 1mnl s THR 45 Cb -0.15 -2.66 0.45 0.00 0.01 0.00 0.00 72.50 70.16 1mnl s THR 45 CO -0.21 -0.01 1.17 0.00 -0.69 0.00 0.00 174.62 174.88 1mnl n ILE 46 N 0.28 2.48 -0.12 1.82 0.13 -1.12 -0.81 119.36 122.02 1mnl n ILE 46 Ca -0.12 -4.33 0.00 0.00 -1.10 0.00 0.00 62.75 57.21 1mnl n ILE 46 Cb 0.54 -1.12 0.00 0.00 -0.84 0.00 0.00 39.64 38.22 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 -0.20 9.51 4.11 -1.06 -2.92 117.16 125.93 1mnl n TYR 47 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.32 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 0.04 0.00 -3.48 0.00 -1.26 -4.43 120.64 111.52 1mnl n GLU 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1mnl n GLU 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1mnl n GLU 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1mnl n ASN 49 N -1.36 2.32 -0.55 -1.84 5.15 -1.26 -4.96 115.26 112.77 1mnl n ASN 49 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1mnl n ASN 49 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1mnl n GLU 50 N -2.23 0.00 0.00 1.20 2.13 -1.26 -5.01 120.64 115.47 1mnl n GLU 50 Ca 0.00 -0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1mnl n GLU 50 Cb 0.33 0.43 0.00 0.00 0.27 0.00 0.00 31.44 32.47 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1mnl n ARG 51 N 0.00 0.00 0.00 5.31 0.63 -1.26 -5.16 116.66 116.18 1mnl n ARG 51 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1mnl n ARG 51 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1mnl n GLU 52 N -0.10 3.62 -3.62 -0.14 0.00 -1.26 -5.10 120.64 114.04 1mnl n GLU 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1mnl n GLU 52 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1mnl s ILE 53 N 3.00 0.00 0.00 3.84 2.07 -1.26 -4.30 121.20 124.55 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -1.91 0.00 0.00 174.94 173.32 1mnl n LYS 54 N 1.58 0.00 -4.04 3.50 5.02 -1.26 -3.96 118.16 118.99 1mnl n LYS 54 Ca -0.11 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 1mnl n LYS 54 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.53 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 -3.21 0.98 -0.31 0.72 0.00 -1.15 0.20 107.32 104.56 1mnl s GLY 55 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.54 1mnl s GLY 55 CO 0.00 -0.83 0.38 -0.47 0.00 0.00 0.00 173.10 172.18 1mnl s TYR 56 N -3.58 -0.79 0.46 1.90 6.14 0.38 -2.56 117.35 119.29 1mnl s TYR 56 Ca 0.27 0.03 0.04 0.00 0.64 0.00 0.00 57.07 58.05 1mnl s TYR 56 Cb -0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 41.96 42.07 1mnl s TYR 56 CO 0.14 -0.97 0.01 -1.83 0.64 0.00 0.00 175.55 173.53 1mnl s GLU 57 N 2.32 2.07 0.37 4.97 -1.05 -1.03 -0.85 118.70 125.50 1mnl s GLU 57 Ca 0.11 -2.25 -0.16 0.00 -0.15 0.00 0.00 54.97 52.52 1mnl s GLU 57 Cb -0.13 -1.59 0.05 0.00 -0.44 0.00 0.00 34.13 32.02 1mnl s GLU 57 CO -0.26 -0.20 0.77 1.52 0.95 0.00 0.00 175.26 178.04 1mnl s TYR 58 N -2.79 0.11 -0.10 4.83 1.13 0.17 -2.03 117.35 118.66 1mnl s TYR 58 Ca 0.21 -0.75 -0.02 0.00 -1.41 0.00 0.00 57.07 55.11 1mnl s TYR 58 Cb 0.06 0.79 0.04 0.00 -1.10 0.00 0.00 41.96 41.75 1mnl s TYR 58 CO 0.11 -1.52 0.01 -0.65 -2.51 0.00 0.00 175.55 170.99 1mnl s GLN 59 N -2.54 0.60 -0.74 -3.49 -0.21 -0.97 -2.95 119.66 109.36 1mnl s GLN 59 Ca 0.15 -0.03 0.04 0.00 0.02 0.00 0.00 55.36 55.54 1mnl s GLN 59 Cb -0.05 -1.28 0.25 0.00 1.00 0.00 0.00 33.01 32.92 1mnl s GLN 59 CO 0.11 -0.40 0.83 -0.11 -2.12 0.00 0.00 175.29 173.61 1mnl n LEU 60 N 5.13 4.13 -4.61 2.90 7.94 -1.13 0.94 117.00 132.30 1mnl n LEU 60 Ca -0.08 -5.35 -0.43 0.00 -1.11 0.00 0.00 56.01 49.04 1mnl n LEU 60 Cb 0.49 -0.82 -0.03 0.00 0.53 0.00 0.00 43.42 43.60 1mnl n LEU 60 CO 0.11 1.91 1.43 -0.47 -1.11 0.00 0.00 177.39 179.26 1mnl s TYR 61 N -2.29 2.00 0.00 1.96 5.04 -0.58 -1.93 117.35 121.55 1mnl s TYR 61 Ca 0.35 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1mnl s TYR 61 Cb 0.09 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1mnl s TYR 61 CO -0.03 -2.81 0.00 1.33 -1.34 0.00 0.00 175.55 172.70 1mnl n VAL 62 N 7.01 0.00 -3.72 3.14 0.24 0.71 -2.98 118.33 122.73 1mnl n VAL 62 Ca 0.20 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.36 1mnl n VAL 62 Cb 0.46 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.42 -0.18 0.00 6.34 5.04 -0.69 -1.63 117.35 123.81 1mnl s TYR 63 Ca 0.00 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 1mnl s TYR 63 Cb 0.00 -0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1mnl s TYR 63 CO 0.00 -0.21 0.00 0.00 -1.34 0.00 0.00 175.55 174.00 1mnl n ALA 64 N 4.64 0.00 0.06 3.97 0.00 -0.86 0.15 120.51 128.46 1mnl n ALA 64 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1mnl n ALA 64 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1mnl n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1mnl h SER 65 N 0.00 0.00 0.00 0.00 0.87 -1.89 -3.08 113.55 109.45 1mnl h SER 65 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1mnl h SER 65 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1mnl h SER 65 CO 0.00 0.57 -0.18 -0.67 -0.53 0.00 0.00 176.83 176.02 1mnl n ASP 66 N -2.99 0.00 -3.90 6.23 2.03 -1.26 -4.99 116.55 111.67 1mnl n ASP 66 Ca -0.06 -1.36 -0.29 0.00 0.52 0.00 0.00 54.79 53.59 1mnl n ASP 66 Cb 0.82 -0.07 -0.11 0.00 -0.72 0.00 0.00 41.12 41.04 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1mnl n LYS 67 N 0.00 2.05 -1.84 -0.67 0.00 -1.26 -4.95 118.16 111.50 1mnl n LYS 67 Ca 0.00 -4.51 -0.37 0.00 0.00 0.00 0.00 58.31 53.43 1mnl n LYS 67 Cb 0.57 -2.31 -0.02 0.00 0.00 0.00 0.00 35.03 33.27 1mnl n LYS 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1mnl n LEU 68 N 1.91 7.69 0.00 3.14 4.32 -1.26 -2.04 117.00 130.77 1mnl n LEU 68 Ca 0.21 -4.66 0.00 0.00 -0.02 0.00 0.00 56.01 51.54 1mnl n LEU 68 Cb 0.36 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 1mnl n LEU 68 CO 0.30 1.99 0.00 2.22 -1.22 0.00 0.00 177.39 180.68 1mnl n PHE 69 N 1.63 0.00 -4.00 -1.77 1.16 -0.65 -4.12 117.46 109.70 1mnl n PHE 69 Ca 0.60 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.96 1mnl n PHE 69 Cb 0.32 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.03 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 3.20 0.89 -0.64 3.97 3.52 0.49 0.25 118.95 130.63 1mnl s ARG 70 Ca 0.00 -0.06 -0.27 0.00 -0.13 0.00 0.00 55.73 55.27 1mnl s ARG 70 Cb 0.00 -1.02 0.04 0.00 -1.56 0.00 0.00 34.95 32.41 1mnl s ARG 70 CO 0.00 -0.18 1.16 0.00 -0.81 0.00 0.00 175.30 175.47 1mnl s ALA 71 N 1.40 2.95 0.39 6.12 0.00 -0.81 -2.45 121.76 129.35 1mnl s ALA 71 Ca -0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 1mnl s ALA 71 Cb -0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 18.88 1mnl s ALA 71 CO -0.03 -2.85 0.70 0.34 0.00 0.00 0.00 175.76 173.93 1mnl s ASP 72 N 3.28 6.44 -0.22 0.00 2.15 -0.66 -2.82 116.67 124.84 1mnl s ASP 72 Ca 0.36 0.94 -0.25 0.00 0.43 0.00 0.00 52.55 54.04 1mnl s ASP 72 Cb -0.09 -2.24 0.07 0.00 -0.30 0.00 0.00 42.92 40.35 1mnl s ASP 72 CO 0.19 -0.38 0.69 -0.51 -0.17 0.00 0.00 175.17 174.99 1mnl s ILE 73 N -2.37 0.00 0.12 4.11 -1.16 -1.15 0.59 121.20 121.34 1mnl s ILE 73 Ca 0.48 -0.01 0.07 0.00 -0.51 0.00 0.00 60.65 60.68 1mnl s ILE 73 Cb -0.10 -0.96 -0.04 0.00 0.61 0.00 0.00 42.46 41.97 1mnl s ILE 73 CO 0.34 -0.00 -0.16 -0.55 -2.81 0.00 0.00 174.94 171.76 1mnl s SER 74 N 0.09 2.18 -0.29 4.50 0.15 0.43 0.43 113.70 121.20 1mnl s SER 74 Ca -0.02 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 55.87 1mnl s SER 74 Cb -0.04 -0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.35 1mnl s SER 74 CO 0.02 -0.08 0.54 -0.70 1.20 0.00 0.00 173.24 174.23 1mnl s GLU 75 N -2.44 0.51 0.50 5.44 2.12 -0.03 -2.89 118.70 121.93 1mnl s GLU 75 Ca 0.08 0.72 -0.06 0.00 0.36 0.00 0.00 54.97 56.07 1mnl s GLU 75 Cb -0.07 0.21 0.09 0.00 0.26 0.00 0.00 34.13 34.63 1mnl s GLU 75 CO 0.04 -0.78 0.21 -0.40 -0.54 0.00 0.00 175.26 173.79 1mnl n ASP 76 N 5.41 -2.01 0.00 -1.70 5.68 0.22 0.14 116.55 124.29 1mnl n ASP 76 Ca 0.00 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 1mnl n ASP 76 Cb 0.51 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n TYR 77 N -3.42 0.00 0.00 2.11 4.19 0.53 -4.25 117.16 116.31 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 0.14 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.97 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 -1.14 0.00 -0.44 2.98 4.81 -0.04 -4.73 118.16 119.60 1mnl n LYS 78 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1mnl n LYS 78 Cb 0.00 -0.17 0.22 0.00 0.02 0.00 0.00 35.03 35.10 1mnl n LYS 78 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1mnl n THR 79 N -1.79 1.34 -3.46 3.15 -1.04 -1.24 -4.89 114.28 106.35 1mnl n THR 79 Ca 0.00 -0.73 -0.18 0.00 -2.04 0.00 0.00 64.05 61.10 1mnl n THR 79 Cb 0.00 -0.25 0.07 0.00 -1.82 0.00 0.00 70.33 68.33 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 0.42 -5.23 0.00 -2.82 3.00 -1.26 -4.95 116.66 105.82 1mnl n ARG 80 Ca 0.15 0.79 0.00 0.00 -0.01 0.00 0.00 57.85 58.78 1mnl n ARG 80 Cb 0.69 -5.66 0.00 0.00 0.00 0.00 0.00 32.46 27.49 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 -1.26 -0.56 0.00 -0.13 0.00 -1.26 -4.77 105.19 97.21 1mnl n GLY 81 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.94 1.61 5.12 -1.26 -4.65 116.66 114.54 1mnl n ARG 82 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1mnl n ARG 82 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1mnl n ARG 82 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1mnl s LYS 83 N -1.23 0.68 0.12 5.56 1.02 -1.22 0.70 119.74 125.37 1mnl s LYS 83 Ca 0.00 -0.41 -0.24 0.00 0.02 0.00 0.00 55.97 55.34 1mnl s LYS 83 Cb 0.00 0.03 0.08 0.00 -0.52 0.00 0.00 37.83 37.43 1mnl s LYS 83 CO 0.00 -0.92 1.13 -1.17 -0.92 0.00 0.00 175.35 173.47 1mnl s LEU 84 N 1.53 0.01 0.29 3.17 2.96 -1.14 -4.95 118.68 120.55 1mnl s LEU 84 Ca 0.20 -0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 53.43 1mnl s LEU 84 Cb 0.01 1.82 0.01 0.00 0.50 0.00 0.00 46.19 48.53 1mnl s LEU 84 CO -0.09 -0.76 0.61 -1.48 -1.32 0.00 0.00 176.35 173.32 1mnl s LEU 85 N -3.58 0.13 0.00 -0.68 2.34 -1.25 -0.43 118.68 115.21 1mnl s LEU 85 Ca 0.25 -0.91 0.04 0.00 0.06 0.00 0.00 54.13 53.57 1mnl s LEU 85 Cb -0.02 2.25 -0.01 0.00 -0.56 0.00 0.00 46.19 47.85 1mnl s LEU 85 CO 0.03 -1.32 0.23 0.54 -1.06 0.00 0.00 176.35 174.78 1mnl n ARG 86 N -0.45 0.34 -2.85 1.48 1.74 0.20 -4.85 116.66 112.26 1mnl n ARG 86 Ca -0.03 -2.19 -0.12 0.00 -0.77 0.00 0.00 57.85 54.74 1mnl n ARG 86 Cb 0.61 1.87 0.04 0.00 -1.02 0.00 0.00 32.46 33.96 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 -0.43 -2.33 -2.01 -1.55 3.72 -1.24 -1.65 117.46 111.98 1mnl n PHE 87 Ca 0.04 -2.40 0.00 0.00 -0.05 0.00 0.00 57.45 55.04 1mnl n PHE 87 Cb 0.41 1.10 0.00 0.00 -0.94 0.00 0.00 39.48 40.05 1mnl n PHE 87 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1mnl n ASN 88 N 0.92 0.00 -2.54 4.37 3.02 -1.03 -4.72 115.26 115.28 1mnl n ASN 88 Ca 0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.56 1mnl n ASN 88 Cb 0.65 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.87 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mnl n GLY 89 N 0.00 -0.14 1.76 7.41 0.00 -1.26 -0.38 105.19 112.57 1mnl n GLY 89 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1mnl n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mnl n PRO 90 N -2.87 -2.43 0.00 1.61 -0.04 -1.26 -4.03 135.00 125.97 1mnl n PRO 90 Ca -0.15 -0.86 0.08 0.00 -0.04 0.00 0.00 63.50 62.53 1mnl n PRO 90 Cb 0.60 -0.87 0.47 0.00 -0.04 0.00 0.00 33.50 33.66 1mnl n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79