#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 0.73 0.30 1.61 -1.05 -0.56 -4.95 118.70 114.78 1mnl s GLU 2 Ca 0.00 -0.17 0.02 0.00 -0.15 0.00 0.00 54.97 54.67 1mnl s GLU 2 Cb 0.00 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.98 1mnl s GLU 2 CO 0.00 -0.30 0.09 1.67 0.95 0.00 0.00 175.26 177.67 1mnl s TRP 3 N -2.58 1.71 0.00 4.83 1.48 -1.26 -1.49 118.94 121.64 1mnl s TRP 3 Ca 0.03 -1.12 0.00 0.00 -1.06 0.00 0.00 56.10 53.95 1mnl s TRP 3 Cb -0.01 -1.05 0.00 0.00 -1.16 0.00 0.00 33.47 31.25 1mnl s TRP 3 CO -0.06 -0.22 0.00 -1.91 -4.06 0.00 0.00 176.95 170.70 1mnl n GLU 4 N -0.58 0.00 -4.48 3.25 4.07 0.64 -4.90 120.64 118.64 1mnl n GLU 4 Ca -0.01 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.80 1mnl n GLU 4 Cb 0.66 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.96 1mnl n GLU 4 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1mnl s ILE 5 N -2.00 1.79 0.00 6.31 2.07 -1.26 0.20 121.20 128.31 1mnl s ILE 5 Ca 0.00 -1.88 0.00 0.00 -1.41 0.00 0.00 60.65 57.36 1mnl s ILE 5 Cb 0.00 -2.67 0.00 0.00 0.13 0.00 0.00 42.46 39.92 1mnl s ILE 5 CO 0.00 0.00 0.00 2.30 -1.91 0.00 0.00 174.94 175.33 1mnl n ILE 6 N -1.19 0.00 -2.94 2.00 -6.64 -1.18 -4.88 119.36 104.53 1mnl n ILE 6 Ca -0.08 0.00 -0.20 0.00 -1.77 0.00 0.00 62.75 60.70 1mnl n ILE 6 Cb 0.66 -0.81 -0.02 0.00 -1.44 0.00 0.00 39.64 38.04 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1mnl n ASP 7 N -0.10 2.43 -4.36 7.28 5.68 -1.26 -4.94 116.55 121.28 1mnl n ASP 7 Ca 0.00 -3.23 -0.35 0.00 -0.50 0.00 0.00 54.79 50.71 1mnl n ASP 7 Cb 0.00 -0.57 -0.08 0.00 -1.14 0.00 0.00 41.12 39.33 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n ILE 8 N -0.02 -0.85 0.09 2.12 3.06 -1.26 -4.72 119.36 117.77 1mnl n ILE 8 Ca 0.25 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1mnl n ILE 8 Cb 0.61 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.77 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 -1.96 -0.21 0.01 4.50 0.00 -1.26 -4.84 105.19 101.43 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 0.00 -1.47 1.61 0.13 -1.99 -3.12 132.00 127.16 1mnl h PRO 10 Ca 0.00 0.00 0.43 0.00 -0.87 0.00 0.00 66.00 65.56 1mnl h PRO 10 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1mnl h PRO 10 CO 0.00 0.00 1.09 0.74 -0.23 0.00 0.00 178.00 179.60 1mnl h PHE 11 N -0.14 0.00 0.70 1.56 -1.00 -1.96 1.12 116.94 117.22 1mnl h PHE 11 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1mnl h PHE 11 Cb 0.03 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.60 1mnl h PHE 11 CO -0.01 0.00 -0.33 1.79 -1.61 0.00 0.00 178.31 178.14 1mnl h THR 12 N 0.00 0.15 0.00 -1.55 1.35 -1.89 1.66 112.91 112.62 1mnl h THR 12 Ca 0.70 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 66.26 1mnl h THR 12 Cb 2.88 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 1mnl h THR 12 CO -0.01 0.02 -0.19 -0.61 -0.25 0.00 0.00 175.52 174.48 1mnl h GLN 13 N -1.16 0.00 0.15 4.72 4.15 -0.01 -3.00 115.11 119.97 1mnl h GLN 13 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1mnl h GLN 13 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1mnl h GLN 13 CO 0.16 0.19 -0.07 -0.97 -1.93 0.00 0.00 178.83 176.21 1mnl h ASN 14 N 0.00 -0.18 -0.90 -0.69 -1.24 0.13 -3.11 115.58 109.60 1mnl h ASN 14 Ca -0.00 -0.34 0.14 0.00 0.71 0.00 0.00 56.30 56.81 1mnl h ASN 14 Cb 0.44 0.05 -0.15 0.00 0.73 0.00 0.00 38.32 39.38 1mnl h ASN 14 CO 0.03 0.40 -0.34 -0.11 -1.29 0.00 0.00 177.43 176.11 1mnl n LEU 15 N -4.90 -0.57 -0.15 0.34 0.00 0.56 0.12 117.00 112.40 1mnl n LEU 15 Ca -0.07 1.57 -0.04 0.00 0.00 0.00 0.00 56.01 57.47 1mnl n LEU 15 Cb 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 43.42 43.36 1mnl n LEU 15 CO 0.23 -1.41 0.97 1.23 0.00 0.00 0.00 177.39 178.40 1mnl h GLY 16 N 0.00 0.64 0.00 -3.96 0.00 -1.62 -0.24 103.07 97.88 1mnl h GLY 16 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1mnl h GLY 16 CO -0.90 0.04 0.00 1.17 0.00 0.00 0.00 176.54 176.85 1mnl n LYS 17 N -4.98 0.00 -0.35 4.80 4.81 0.33 -2.85 118.16 119.92 1mnl n LYS 17 Ca 0.04 0.38 0.11 0.00 -0.87 0.00 0.00 58.31 57.97 1mnl n LYS 17 Cb 0.17 -1.05 0.22 0.00 0.02 0.00 0.00 35.03 34.40 1mnl n LYS 17 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1mnl n PHE 18 N -1.63 0.51 0.00 5.64 3.01 0.17 -1.43 117.46 123.72 1mnl n PHE 18 Ca 0.00 1.20 0.00 0.00 1.01 0.00 0.00 57.45 59.66 1mnl n PHE 18 Cb 0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 39.48 38.30 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 -3.37 -0.20 -0.01 4.37 0.00 -0.10 0.12 120.51 121.32 1mnl n ALA 19 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.85 1mnl n ALA 19 Cb 0.65 0.09 0.46 0.00 0.00 0.00 0.00 19.45 20.64 1mnl n ALA 19 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1mnl h VAL 20 N 0.00 0.08 0.00 0.00 -1.51 -1.28 1.46 116.25 114.99 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1mnl h VAL 20 Cb 0.00 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.35 1mnl h VAL 20 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 1mnl n ASP 21 N -3.18 0.00 -0.24 4.19 8.00 -0.52 -2.34 116.55 122.46 1mnl n ASP 21 Ca 0.14 0.18 0.05 0.00 0.71 0.00 0.00 54.79 55.86 1mnl n ASP 21 Cb 1.15 -0.31 0.29 0.00 -0.02 0.00 0.00 41.12 42.23 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1mnl h GLU 22 N 0.00 0.89 0.00 -1.24 4.39 0.12 1.93 114.58 120.67 1mnl h GLU 22 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1mnl h GLU 22 Cb 0.00 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1mnl h GLU 22 CO 0.00 0.59 -0.00 1.49 -1.16 0.00 0.00 179.01 179.92 1mnl h GLU 23 N 0.91 -0.01 -0.22 2.33 4.81 0.20 1.91 114.58 124.51 1mnl h GLU 23 Ca 0.35 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1mnl h GLU 23 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1mnl h GLU 23 CO -0.12 0.23 0.01 -0.97 -0.73 0.00 0.00 179.01 177.43 1mnl h ASN 24 N -0.24 0.37 -0.86 1.04 -0.73 -0.94 0.45 115.58 114.67 1mnl h ASN 24 Ca -0.00 -0.30 0.02 0.00 1.87 0.00 0.00 56.30 57.89 1mnl h ASN 24 Cb 0.24 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.68 1mnl h ASN 24 CO 0.00 0.58 0.56 0.50 -0.37 0.00 0.00 177.43 178.70 1mnl h LYS 25 N 0.15 1.09 0.00 6.67 3.64 0.32 0.18 116.57 128.62 1mnl h LYS 25 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mnl h LYS 25 Cb 0.39 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1mnl h LYS 25 CO 0.01 0.72 0.00 1.51 -2.27 0.00 0.00 179.45 179.42 1mnl n ILE 26 N -4.51 0.69 -1.20 2.00 0.13 0.65 -4.94 119.36 112.18 1mnl n ILE 26 Ca 0.10 0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.83 1mnl n ILE 26 Cb 0.05 -0.89 0.00 0.00 -0.84 0.00 0.00 39.64 37.95 1mnl n ILE 26 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1mnl n GLY 27 N 0.52 -0.68 1.43 4.50 0.00 0.06 -5.04 105.19 105.98 1mnl n GLY 27 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.34 0.00 -0.00 1.61 0.00 -0.64 -4.98 117.38 113.02 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 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1mnl n GLN 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1mnl n TYR 29 N -2.07 0.00 -2.33 3.69 4.01 -1.26 -4.98 117.16 114.22 1mnl n TYR 29 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1mnl n TYR 29 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mnl n GLY 30 N 2.55 -0.44 2.00 2.72 0.00 -1.26 -4.47 105.19 106.30 1mnl n GLY 30 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.34 0.00 -4.13 1.61 1.74 -1.26 -5.00 116.66 107.28 1mnl n ARG 31 Ca -0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1mnl n ARG 31 Cb 0.45 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.79 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mnl s LEU 32 N -5.34 2.46 -0.39 0.55 1.43 -1.26 -4.97 118.68 111.15 1mnl s LEU 32 Ca 0.00 -1.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1mnl s LEU 32 Cb 0.00 0.09 0.31 0.00 0.03 0.00 0.00 46.19 46.62 1mnl s LEU 32 CO 0.00 -0.55 1.27 0.41 0.23 0.00 0.00 176.35 177.71 1mnl n THR 33 N 0.03 0.00 -3.37 5.49 -1.04 -1.26 -4.83 114.28 109.30 1mnl n THR 33 Ca -0.13 -1.29 0.02 0.00 -2.04 0.00 0.00 64.05 60.61 1mnl n THR 33 Cb 0.61 0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 70.05 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 0.17 -0.24 0.43 -1.42 -0.71 -1.26 -4.30 117.98 110.65 1mnl s PHE 34 Ca 0.18 0.43 0.00 0.00 -1.04 0.00 0.00 56.93 56.50 1mnl s PHE 34 Cb 0.31 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1mnl s PHE 34 CO -0.07 -0.12 0.00 -1.71 -1.34 0.00 0.00 175.22 171.98 1mnl n ASN 35 N 4.24 -3.73 0.00 1.98 5.15 -1.26 -4.39 115.26 117.25 1mnl n ASN 35 Ca -0.10 0.82 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1mnl n ASN 35 Cb 0.55 3.50 0.00 0.00 -0.53 0.00 0.00 39.78 43.31 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 -3.39 0.00 -3.84 1.20 4.01 -1.07 -4.88 118.16 110.19 1mnl n LYS 36 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 1mnl n LYS 36 Cb 0.00 -0.08 -0.00 0.00 -0.51 0.00 0.00 35.03 34.43 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1mnl s VAL 37 N 0.00 0.00 -0.23 -0.18 1.01 0.11 -4.95 120.40 116.16 1mnl s VAL 37 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1mnl s VAL 37 Cb 0.00 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1mnl s VAL 37 CO 0.00 0.00 -0.04 -0.51 0.00 0.00 0.00 175.10 174.55 1mnl s ILE 38 N -3.33 1.40 0.06 2.22 2.07 -1.26 -1.48 121.20 120.88 1mnl s ILE 38 Ca 0.13 -1.15 -0.02 0.00 -1.41 0.00 0.00 60.65 58.19 1mnl s ILE 38 Cb -0.05 -1.71 -0.01 0.00 0.13 0.00 0.00 42.46 40.82 1mnl s ILE 38 CO 0.08 -0.12 -0.05 0.54 -1.91 0.00 0.00 174.94 173.48 1mnl n ARG 39 N 4.72 0.07 -1.02 3.50 5.12 -1.26 -4.61 116.66 123.18 1mnl n ARG 39 Ca -0.11 0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.69 1mnl n ARG 39 Cb 0.44 -0.63 -0.08 0.00 -1.16 0.00 0.00 32.46 31.03 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 -3.61 1.89 -2.89 5.56 -0.04 -1.12 -4.84 135.00 129.95 1mnl n PRO 40 Ca -0.02 -1.23 -0.43 0.00 -0.04 0.00 0.00 63.50 61.77 1mnl n PRO 40 Cb 0.10 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1mnl n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mnl n MET 42 N 7.36 0.48 -3.48 0.00 2.81 0.11 -3.12 117.12 121.28 1mnl n MET 42 Ca 0.01 -2.34 -0.13 0.00 -1.81 0.00 0.00 57.70 53.43 1mnl n MET 42 Cb 0.46 -0.30 -0.04 0.00 -0.71 0.00 0.00 33.22 32.63 1mnl n MET 42 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mnl s LYS 43 N -4.21 1.08 -0.29 0.03 2.36 0.54 -2.54 119.74 116.70 1mnl s LYS 43 Ca 0.49 -0.15 -0.16 0.00 -2.55 0.00 0.00 55.97 53.61 1mnl s LYS 43 Cb -0.04 0.50 0.16 0.00 -1.05 0.00 0.00 37.83 37.40 1mnl s LYS 43 CO 0.32 -0.42 1.01 -1.59 1.55 0.00 0.00 175.35 176.22 1mnl s LYS 44 N -2.57 0.31 0.14 4.03 -2.85 -0.85 0.23 119.74 118.19 1mnl s LYS 44 Ca -0.03 0.61 0.07 0.00 -1.00 0.00 0.00 55.97 55.62 1mnl s LYS 44 Cb -0.01 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1mnl s LYS 44 CO -0.03 -0.08 -0.07 0.99 0.10 0.00 0.00 175.35 176.26 1mnl s THR 45 N 1.64 3.44 -0.11 3.79 2.01 -0.55 -2.23 115.64 123.63 1mnl s THR 45 Ca -0.07 -1.38 0.02 0.00 0.31 0.00 0.00 61.69 60.57 1mnl s THR 45 Cb -0.04 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1mnl s THR 45 CO -0.15 0.01 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.98 1mnl s ILE 46 N -1.46 1.70 0.14 1.82 1.01 0.40 -1.49 121.20 123.31 1mnl s ILE 46 Ca 0.24 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1mnl s ILE 46 Cb -0.10 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.85 1mnl s ILE 46 CO 0.15 0.48 0.30 -0.72 0.00 0.00 0.00 174.94 175.16 1mnl s TYR 47 N 0.83 0.16 0.00 3.97 -0.85 -1.26 0.15 117.35 120.34 1mnl s TYR 47 Ca -0.09 -0.53 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 1mnl s TYR 47 Cb -0.16 0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.23 1mnl s TYR 47 CO 0.00 -0.68 0.00 -1.91 -1.52 0.00 0.00 175.55 171.44 1mnl n GLU 48 N -0.18 0.00 0.00 -3.49 4.07 -1.19 -3.20 120.64 116.65 1mnl n GLU 48 Ca -0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1mnl n GLU 48 Cb 0.63 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.01 1mnl n GLU 48 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1mnl n ASN 49 N 0.00 0.00 -0.29 4.31 5.03 -1.15 -4.72 115.26 118.44 1mnl n ASN 49 Ca 0.00 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.52 1mnl n ASN 49 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 38.87 1mnl n ASN 49 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1mnl n GLU 50 N 0.00 0.97 0.00 3.52 1.02 -1.26 -4.83 120.64 120.06 1mnl n GLU 50 Ca 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1mnl n GLU 50 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1mnl n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mnl n ARG 51 N -0.99 0.00 -0.26 3.49 1.74 -1.26 -5.17 116.66 114.21 1mnl n ARG 51 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1mnl n ARG 51 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1mnl n GLU 52 N -0.44 0.00 -4.38 5.56 0.28 -1.26 -5.12 120.64 115.28 1mnl n GLU 52 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1mnl n GLU 52 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1mnl s ILE 53 N -2.43 2.05 0.03 3.84 1.10 -1.26 -2.91 121.20 121.61 1mnl s ILE 53 Ca 0.00 -2.11 -0.02 0.00 -0.51 0.00 0.00 60.65 58.00 1mnl s ILE 53 Cb 0.00 -2.04 -0.01 0.00 0.15 0.00 0.00 42.46 40.56 1mnl s ILE 53 CO 0.00 -0.36 -0.05 1.17 -2.11 0.00 0.00 174.94 173.60 1mnl n LYS 54 N -0.06 0.07 -3.64 3.50 4.81 -1.24 -2.03 118.16 119.57 1mnl n LYS 54 Ca -0.10 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.34 1mnl n LYS 54 Cb 0.58 -0.49 -0.01 0.00 0.02 0.00 0.00 35.03 35.13 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mnl s GLY 55 N -3.77 -0.34 -0.30 3.14 0.00 0.39 0.14 107.32 106.57 1mnl s GLY 55 Ca -0.04 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1mnl s GLY 55 CO 0.06 0.18 0.05 -0.47 0.00 0.00 0.00 173.10 172.92 1mnl s TYR 56 N -2.88 2.50 0.11 1.90 6.14 0.19 -0.46 117.35 124.85 1mnl s TYR 56 Ca 0.11 -2.14 0.03 0.00 0.64 0.00 0.00 57.07 55.71 1mnl s TYR 56 Cb 0.01 -2.08 -0.04 0.00 0.42 0.00 0.00 41.96 40.27 1mnl s TYR 56 CO -0.03 -0.88 0.14 -1.83 0.64 0.00 0.00 175.55 173.60 1mnl s GLU 57 N 1.34 3.04 0.04 4.97 -1.05 -0.94 -2.55 118.70 123.55 1mnl s GLU 57 Ca 0.07 -0.70 -0.03 0.00 -0.15 0.00 0.00 54.97 54.16 1mnl s GLU 57 Cb -0.18 -2.78 -0.02 0.00 -0.44 0.00 0.00 34.13 30.71 1mnl s GLU 57 CO -0.16 0.54 0.03 1.52 0.95 0.00 0.00 175.26 178.15 1mnl s TYR 58 N -1.57 0.29 -0.11 4.83 1.13 0.33 -2.00 117.35 120.26 1mnl s TYR 58 Ca 0.31 -0.65 0.02 0.00 -1.41 0.00 0.00 57.07 55.34 1mnl s TYR 58 Cb -0.11 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.55 1mnl s TYR 58 CO 0.24 -0.33 -0.14 1.14 -2.51 0.00 0.00 175.55 173.95 1mnl s GLN 59 N -2.65 2.09 -0.62 -3.49 -2.07 -1.05 -2.54 119.66 109.33 1mnl s GLN 59 Ca -0.05 -0.51 0.06 0.00 -1.82 0.00 0.00 55.36 53.04 1mnl s GLN 59 Cb -0.01 -1.81 0.25 0.00 -1.09 0.00 0.00 33.01 30.36 1mnl s GLN 59 CO -0.05 -0.08 0.74 -0.11 -1.32 0.00 0.00 175.29 174.47 1mnl n LEU 60 N 4.25 3.55 -4.60 2.60 7.94 -0.99 0.07 117.00 129.81 1mnl n LEU 60 Ca -0.19 -5.41 -0.43 0.00 -1.11 0.00 0.00 56.01 48.88 1mnl n LEU 60 Cb 0.51 -0.57 -0.03 0.00 0.53 0.00 0.00 43.42 43.86 1mnl n LEU 60 CO 0.23 2.07 1.47 -0.47 -1.11 0.00 0.00 177.39 179.58 1mnl s TYR 61 N -2.44 1.93 0.00 1.96 5.04 -0.94 -1.73 117.35 121.16 1mnl s TYR 61 Ca 0.40 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1mnl s TYR 61 Cb 0.16 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1mnl s TYR 61 CO -0.02 -2.82 0.00 1.33 -1.34 0.00 0.00 175.55 172.70 1mnl n VAL 62 N 7.26 0.00 -3.72 3.14 0.24 0.55 -2.79 118.33 123.01 1mnl n VAL 62 Ca 0.21 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.36 1mnl n VAL 62 Cb 0.47 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.68 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 -3.89 -0.11 0.00 6.34 5.04 -0.55 -1.87 117.35 122.31 1mnl s TYR 63 Ca 0.00 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 1mnl s TYR 63 Cb 0.00 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1mnl s TYR 63 CO 0.00 -0.18 0.00 0.00 -1.34 0.00 0.00 175.55 174.03 1mnl n ALA 64 N 4.58 0.00 0.08 3.97 0.00 -1.15 0.10 120.51 128.08 1mnl n ALA 64 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1mnl n ALA 64 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.88 -3.07 113.55 113.24 1mnl h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mnl h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1mnl h SER 65 CO 0.00 0.53 -0.15 0.47 -0.87 0.00 0.00 176.83 176.81 1mnl n ASP 66 N -3.03 0.00 -3.88 4.97 9.92 -1.26 -5.00 116.55 118.28 1mnl n ASP 66 Ca -0.04 -1.29 -0.35 0.00 -0.53 0.00 0.00 54.79 52.58 1mnl n ASP 66 Cb 0.79 -0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 41.16 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1mnl n LYS 67 N 0.00 3.09 -1.95 -1.24 4.81 -1.26 -4.94 118.16 116.66 1mnl n LYS 67 Ca 0.00 -4.56 -0.41 0.00 -0.87 0.00 0.00 58.31 52.47 1mnl n LYS 67 Cb 0.56 -2.39 -0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 1.61 7.32 0.00 3.14 4.77 -1.26 -2.96 117.00 129.62 1mnl n LEU 68 Ca 0.25 -4.52 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 1mnl n LEU 68 Cb 0.37 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1mnl n LEU 68 CO 0.47 1.56 0.00 2.22 -1.33 0.00 0.00 177.39 180.31 1mnl n PHE 69 N 3.96 0.00 -3.84 -1.77 1.16 -0.78 -4.22 117.46 111.96 1mnl n PHE 69 Ca 0.53 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.93 1mnl n PHE 69 Cb 0.33 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 0.00 0.29 -0.45 3.97 3.52 0.55 0.21 118.95 127.03 1mnl s ARG 70 Ca 0.00 0.14 -0.27 0.00 -0.13 0.00 0.00 55.73 55.47 1mnl s ARG 70 Cb 0.00 -0.60 0.03 0.00 -1.56 0.00 0.00 34.95 32.82 1mnl s ARG 70 CO 0.00 -0.21 1.02 0.00 -0.81 0.00 0.00 175.30 175.30 1mnl s ALA 71 N 1.46 3.23 0.49 6.12 0.00 -0.71 -2.25 121.76 130.11 1mnl s ALA 71 Ca -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1mnl s ALA 71 Cb -0.13 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1mnl s ALA 71 CO -0.03 -2.08 0.73 0.34 0.00 0.00 0.00 175.76 174.73 1mnl s ASP 72 N 2.29 5.68 -0.30 0.00 2.15 -0.73 -2.35 116.67 123.40 1mnl s ASP 72 Ca 0.42 0.30 -0.09 0.00 0.43 0.00 0.00 52.55 53.61 1mnl s ASP 72 Cb -0.09 -1.43 0.14 0.00 -0.30 0.00 0.00 42.92 41.24 1mnl s ASP 72 CO 0.27 -0.85 0.67 -0.51 -0.17 0.00 0.00 175.17 174.58 1mnl s ILE 73 N -2.67 -0.96 0.01 4.11 -1.16 -1.05 -0.70 121.20 118.77 1mnl s ILE 73 Ca 0.51 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.71 1mnl s ILE 73 Cb -0.10 -1.00 -0.02 0.00 0.61 0.00 0.00 42.46 41.95 1mnl s ILE 73 CO 0.39 0.00 -0.19 -0.44 -2.81 0.00 0.00 174.94 171.89 1mnl s SER 74 N 2.87 2.30 -0.19 4.50 0.01 0.89 -0.52 113.70 123.56 1mnl s SER 74 Ca -0.03 -0.42 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 1mnl s SER 74 Cb -0.12 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1mnl s SER 74 CO -0.19 0.20 0.46 -1.61 0.41 0.00 0.00 173.24 172.51 1mnl s GLU 75 N -0.75 0.47 0.00 12.44 2.02 -1.06 -1.89 118.70 129.93 1mnl s GLU 75 Ca 0.07 0.82 0.00 0.00 0.02 0.00 0.00 54.97 55.88 1mnl s GLU 75 Cb -0.08 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1mnl s GLU 75 CO 0.00 -0.14 0.00 -0.25 0.02 0.00 0.00 175.26 174.90 1mnl n ASP 76 N 3.94 0.00 0.00 -0.19 9.92 -1.13 0.52 116.55 129.62 1mnl n ASP 76 Ca -0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1mnl n ASP 76 Cb 0.56 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mnl n TYR 77 N -0.40 -2.09 -0.31 1.24 4.19 0.37 -3.59 117.16 116.56 1mnl n TYR 77 Ca 0.00 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.29 1mnl n TYR 77 Cb 0.00 0.42 0.23 0.00 0.49 0.00 0.00 39.34 40.48 1mnl n TYR 77 CO 0.00 0.00 0.00 1.57 0.91 0.00 0.00 176.86 179.34 1mnl h LYS 78 N 0.00 0.66 0.00 2.98 2.10 -1.48 -2.97 116.57 117.86 1mnl h LYS 78 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1mnl h LYS 78 Cb 0.00 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 1mnl h LYS 78 CO 0.00 0.44 -0.16 -2.37 -2.00 0.00 0.00 179.45 175.36 1mnl n THR 79 N -4.83 0.33 -1.18 0.07 5.66 -1.26 -4.95 114.28 108.12 1mnl n THR 79 Ca 0.18 -0.37 -0.06 0.00 -3.05 0.00 0.00 64.05 60.75 1mnl n THR 79 Cb 0.43 0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 69.83 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1mnl n ARG 80 N -0.22 -1.12 0.00 1.09 5.12 -1.13 -4.81 116.66 115.60 1mnl n ARG 80 Ca 0.02 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 1mnl n ARG 80 Cb 0.55 -4.63 0.00 0.00 -1.16 0.00 0.00 32.46 27.21 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mnl n GLY 81 N -0.86 0.00 0.65 -0.13 0.00 -1.26 -3.74 105.19 99.85 1mnl n GLY 81 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 0.16 -3.85 1.61 5.12 -1.26 -4.87 116.66 113.57 1mnl n ARG 82 Ca 0.00 -0.48 -0.12 0.00 -1.93 0.00 0.00 57.85 55.33 1mnl n ARG 82 Cb 0.00 0.50 -0.11 0.00 -1.16 0.00 0.00 32.46 31.69 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 -2.10 0.31 -0.15 5.56 3.01 -1.26 -2.83 119.74 122.29 1mnl s LYS 83 Ca 0.04 -0.10 -0.32 0.00 -1.01 0.00 0.00 55.97 54.59 1mnl s LYS 83 Cb -0.00 0.14 0.14 0.00 -1.01 0.00 0.00 37.83 37.09 1mnl s LYS 83 CO 0.03 -0.06 1.10 -1.17 0.51 0.00 0.00 175.35 175.76 1mnl s LEU 84 N -0.63 -0.24 0.16 3.17 2.96 -0.79 -4.96 118.68 118.34 1mnl s LEU 84 Ca -0.07 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1mnl s LEU 84 Cb -0.04 1.61 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 1mnl s LEU 84 CO 0.01 -0.32 0.15 -1.48 -1.32 0.00 0.00 176.35 173.39 1mnl s LEU 85 N -1.78 1.38 0.00 -0.68 2.34 -1.26 -0.08 118.68 118.60 1mnl s LEU 85 Ca 0.05 -1.13 0.03 0.00 0.06 0.00 0.00 54.13 53.14 1mnl s LEU 85 Cb -0.01 0.63 -0.01 0.00 -0.56 0.00 0.00 46.19 46.25 1mnl s LEU 85 CO -0.04 -0.81 0.09 0.54 -1.06 0.00 0.00 176.35 175.07 1mnl n ARG 86 N -0.17 0.48 -2.78 1.48 5.12 0.12 -4.81 116.66 116.09 1mnl n ARG 86 Ca -0.05 -1.44 -0.10 0.00 -1.93 0.00 0.00 57.85 54.33 1mnl n ARG 86 Cb 0.64 0.98 0.07 0.00 -1.16 0.00 0.00 32.46 32.99 1mnl n ARG 86 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1mnl n PHE 87 N -0.33 -2.58 -2.09 -1.55 3.01 -1.22 -1.77 117.46 110.93 1mnl n PHE 87 Ca 0.00 -2.29 0.00 0.00 1.01 0.00 0.00 57.45 56.18 1mnl n PHE 87 Cb 0.26 1.40 0.00 0.00 -0.01 0.00 0.00 39.48 41.12 1mnl n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1mnl n ASN 88 N 0.49 0.00 -2.34 4.37 3.02 -0.95 -4.71 115.26 115.14 1mnl n ASN 88 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 1mnl n ASN 88 Cb 0.69 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.91 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 0.01 0.00 7.41 0.00 -1.26 -0.33 105.19 111.01 1mnl n GLY 89 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.75 -0.97 0.00 1.61 -0.04 -1.26 -4.16 135.00 127.42 1mnl n PRO 90 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1mnl n PRO 90 Cb 0.59 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 34.55 1mnl n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79