#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 0.30 0.18 1.61 2.02 0.53 -4.97 118.70 118.37 1mnl s GLU 2 Ca 0.00 0.64 0.06 0.00 0.02 0.00 0.00 54.97 55.69 1mnl s GLU 2 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 1mnl s GLU 2 CO 0.00 -0.15 0.09 1.67 0.02 0.00 0.00 175.26 176.89 1mnl s TRP 3 N 1.22 3.03 -0.30 1.61 -2.14 -1.26 -1.74 118.94 119.36 1mnl s TRP 3 Ca -0.09 -0.07 -0.23 0.00 2.66 0.00 0.00 56.10 58.37 1mnl s TRP 3 Cb -0.09 -1.45 0.19 0.00 -3.10 0.00 0.00 33.47 29.02 1mnl s TRP 3 CO -0.10 0.52 1.36 -1.83 -2.66 0.00 0.00 176.95 174.24 1mnl s GLU 4 N -3.12 0.11 0.67 3.25 -1.05 0.25 -4.97 118.70 113.84 1mnl s GLU 4 Ca 0.30 0.14 -0.04 0.00 -0.15 0.00 0.00 54.97 55.22 1mnl s GLU 4 Cb -0.10 0.05 0.14 0.00 -0.44 0.00 0.00 34.13 33.78 1mnl s GLU 4 CO 0.22 -0.01 0.91 0.44 0.95 0.00 0.00 175.26 177.77 1mnl n ILE 5 N 2.00 0.00 -1.46 1.83 -5.35 -1.26 -0.37 119.36 114.75 1mnl n ILE 5 Ca -0.12 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.16 1mnl n ILE 5 Cb 0.57 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 1mnl n ILE 5 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1mnl n ILE 6 N -2.86 0.00 -2.21 7.28 2.08 -1.05 -4.80 119.36 117.80 1mnl n ILE 6 Ca 0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.45 1mnl n ILE 6 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.39 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1mnl n ASP 7 N 0.00 0.11 -2.24 4.38 -0.08 -1.26 -4.94 116.55 112.52 1mnl n ASP 7 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 1mnl n ASP 7 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mnl n ILE 8 N 0.00 3.37 0.11 5.18 3.06 -1.26 -4.46 119.36 125.36 1mnl n ILE 8 Ca 0.00 -3.15 0.00 0.00 -2.50 0.00 0.00 62.75 57.10 1mnl n ILE 8 Cb 0.00 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.07 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 -0.89 -0.65 0.00 4.50 0.00 -1.26 -4.92 105.19 101.97 1mnl n GLY 9 Ca 0.58 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1mnl n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mnl n PRO 10 N -3.14 0.00 -0.24 1.61 -0.04 -1.26 -3.05 135.00 128.87 1mnl n PRO 10 Ca 0.00 0.00 0.31 0.00 -0.04 0.00 0.00 63.50 63.77 1mnl n PRO 10 Cb 0.00 -0.19 0.59 0.00 -0.04 0.00 0.00 33.50 33.85 1mnl n PRO 10 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1mnl h PHE 11 N 0.00 0.00 0.19 0.54 -1.00 -1.98 0.32 116.94 115.00 1mnl h PHE 11 Ca 0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1mnl h PHE 11 Cb 0.00 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1mnl h PHE 11 CO 0.00 0.00 -0.35 1.79 -1.61 0.00 0.00 178.31 178.14 1mnl h THR 12 N 0.00 0.26 -0.04 -1.55 1.35 -1.78 0.41 112.91 111.55 1mnl h THR 12 Ca 0.51 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.38 1mnl h THR 12 Cb 2.64 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1mnl h THR 12 CO -0.01 0.00 0.10 -0.61 -0.25 0.00 0.00 175.52 174.75 1mnl h GLN 13 N -0.63 0.00 0.27 4.72 4.15 -0.29 -2.29 115.11 121.05 1mnl h GLN 13 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1mnl h GLN 13 Cb 0.63 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1mnl h GLN 13 CO -0.17 0.00 -0.13 -0.97 -1.93 0.00 0.00 178.83 175.63 1mnl h ASN 14 N 0.00 -0.31 -0.81 -0.69 -0.73 -0.14 -2.97 115.58 109.93 1mnl h ASN 14 Ca 0.02 -0.19 0.11 0.00 1.87 0.00 0.00 56.30 58.12 1mnl h ASN 14 Cb 0.22 0.08 -0.13 0.00 0.27 0.00 0.00 38.32 38.75 1mnl h ASN 14 CO -0.00 0.19 -0.44 0.25 -0.37 0.00 0.00 177.43 177.06 1mnl h LEU 15 N -0.97 -1.57 -1.17 0.34 7.12 -0.30 1.43 115.31 120.18 1mnl h LEU 15 Ca -0.04 0.28 0.20 0.00 0.13 0.00 0.00 57.88 58.45 1mnl h LEU 15 Cb 0.47 0.75 -0.09 0.00 -0.53 0.00 0.00 40.66 41.26 1mnl h LEU 15 CO 0.06 -0.30 0.61 1.23 -0.13 0.00 0.00 178.44 179.92 1mnl h GLY 16 N -0.10 1.50 0.00 3.75 0.00 -1.61 0.12 103.07 106.73 1mnl h GLY 16 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1mnl h GLY 16 CO -0.85 -0.04 0.00 0.28 0.00 0.00 0.00 176.54 175.93 1mnl n LYS 17 N -4.68 0.00 -0.40 4.80 5.02 0.44 -2.91 118.16 120.43 1mnl n LYS 17 Ca 0.22 0.00 0.35 0.00 -2.02 0.00 0.00 58.31 56.86 1mnl n LYS 17 Cb 0.62 -0.47 0.59 0.00 -0.02 0.00 0.00 35.03 35.75 1mnl n LYS 17 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mnl n PHE 18 N -0.47 0.67 0.01 2.13 3.72 0.14 -1.15 117.46 122.52 1mnl n PHE 18 Ca 0.00 0.68 -0.01 0.00 -0.05 0.00 0.00 57.45 58.07 1mnl n PHE 18 Cb 0.00 -1.10 -0.00 0.00 -0.94 0.00 0.00 39.48 37.44 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mnl h ALA 19 N 1.45 -0.67 -1.51 4.37 0.00 -0.89 1.08 119.26 123.10 1mnl h ALA 19 Ca 0.78 -0.01 0.44 0.00 0.00 0.00 0.00 54.91 56.12 1mnl h ALA 19 Cb 2.46 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.20 1mnl h ALA 19 CO -0.44 -0.67 1.30 0.28 0.00 0.00 0.00 179.25 179.71 1mnl n VAL 20 N -2.14 0.00 -0.00 0.00 0.31 -0.30 0.27 118.33 116.47 1mnl n VAL 20 Ca -0.00 1.34 -0.00 0.00 -0.01 0.00 0.00 64.34 65.67 1mnl n VAL 20 Cb 0.01 -2.31 -0.00 0.00 -0.91 0.00 0.00 33.84 30.63 1mnl n VAL 20 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mnl n ASP 21 N -3.55 0.03 0.00 4.52 8.00 -0.88 -2.68 116.55 121.99 1mnl n ASP 21 Ca 0.34 0.17 0.11 0.00 0.71 0.00 0.00 54.79 56.13 1mnl n ASP 21 Cb 1.75 -0.51 0.54 0.00 -0.02 0.00 0.00 41.12 42.89 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 -0.02 0.29 0.52 -1.24 3.07 0.18 1.91 114.58 119.29 1mnl h GLU 22 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1mnl h GLU 22 Cb 0.01 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1mnl h GLU 22 CO 0.00 0.19 -0.25 1.49 -1.40 0.00 0.00 179.01 179.04 1mnl h GLU 23 N 0.30 -0.67 -0.63 2.33 4.81 0.37 1.24 114.58 122.33 1mnl h GLU 23 Ca 0.21 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1mnl h GLU 23 Cb 0.43 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 1mnl h GLU 23 CO -0.04 -0.44 0.32 -0.91 -0.73 0.00 0.00 179.01 177.20 1mnl h ASN 24 N -1.18 0.43 0.03 1.04 -0.26 -1.21 0.52 115.58 114.96 1mnl h ASN 24 Ca -0.07 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1mnl h ASN 24 Cb 0.54 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 1mnl h ASN 24 CO 0.12 0.28 -0.18 0.50 -1.06 0.00 0.00 177.43 177.09 1mnl h LYS 25 N 0.58 -0.30 -0.14 0.81 1.63 0.31 0.12 116.57 119.58 1mnl h LYS 25 Ca 0.29 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.15 1mnl h LYS 25 Cb 0.24 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1mnl h LYS 25 CO -0.22 -0.20 0.30 0.97 -3.45 0.00 0.00 179.45 176.86 1mnl h ILE 26 N -0.31 0.18 0.00 2.00 -0.00 0.28 -3.43 117.51 116.23 1mnl h ILE 26 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.90 1mnl h ILE 26 Cb 0.36 0.73 0.00 0.00 -0.00 0.00 0.00 36.82 37.91 1mnl h ILE 26 CO -0.14 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.62 1mnl n GLY 27 N -1.31 1.95 2.85 8.18 0.00 0.42 -5.05 105.19 112.23 1mnl n GLY 27 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1mnl n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mnl n GLN 28 N 0.00 3.78 -0.12 1.61 1.13 0.17 -4.79 117.38 119.16 1mnl n GLN 28 Ca 0.00 -4.81 0.02 0.00 -1.94 0.00 0.00 57.00 50.27 1mnl n GLN 28 Cb 0.00 -2.30 0.07 0.00 0.11 0.00 0.00 30.24 28.12 1mnl n GLN 28 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1mnl n TYR 29 N -0.15 0.30 -0.28 1.08 9.36 -1.26 -3.39 117.16 122.81 1mnl n TYR 29 Ca 0.35 -0.12 -0.02 0.00 3.32 0.00 0.00 57.90 61.43 1mnl n TYR 29 Cb 0.36 -0.07 0.04 0.00 -0.63 0.00 0.00 39.34 39.04 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1mnl h GLY 30 N 5.33 0.13 0.00 2.98 0.00 -1.95 -3.46 103.07 106.10 1mnl h GLY 30 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1mnl h GLY 30 CO 0.04 -0.23 0.00 -2.13 0.00 0.00 0.00 176.54 174.22 1mnl n ARG 31 N -5.47 0.00 -0.42 4.80 0.63 -1.26 -5.16 116.66 109.77 1mnl n ARG 31 Ca 0.08 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.88 1mnl n ARG 31 Cb 0.39 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.41 1mnl n ARG 31 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1mnl n LEU 32 N 0.00 0.00 -2.80 6.15 7.99 -1.26 -4.88 117.00 122.20 1mnl n LEU 32 Ca 0.00 -0.49 -0.11 0.00 -0.01 0.00 0.00 56.01 55.40 1mnl n LEU 32 Cb 0.00 -0.43 0.05 0.00 -0.11 0.00 0.00 43.42 42.92 1mnl n LEU 32 CO 0.00 -1.55 0.06 0.41 -1.51 0.00 0.00 177.39 174.80 1mnl n THR 33 N -3.58 0.36 -3.05 -5.08 -1.04 -1.26 -4.89 114.28 95.74 1mnl n THR 33 Ca 0.06 -2.83 0.05 0.00 -2.04 0.00 0.00 64.05 59.29 1mnl n THR 33 Cb 0.25 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.41 1mnl n THR 33 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1mnl s PHE 34 N -1.74 -0.40 0.05 -1.42 5.36 -1.26 -4.06 117.98 114.51 1mnl s PHE 34 Ca 0.28 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 1mnl s PHE 34 Cb 0.40 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 1mnl s PHE 34 CO -0.03 -0.24 0.00 -1.71 -1.46 0.00 0.00 175.22 171.78 1mnl n ASN 35 N 4.73 0.12 0.00 6.13 2.85 -1.26 -4.82 115.26 123.02 1mnl n ASN 35 Ca 0.09 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1mnl n ASN 35 Cb 0.59 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.62 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 -2.95 0.00 -3.83 1.20 4.01 -1.13 -4.96 118.16 110.50 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 0.19 -0.02 -0.00 0.00 -0.51 0.00 0.00 35.03 34.69 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 -0.12 -0.18 1.01 0.63 -4.96 120.40 116.77 1mnl s VAL 37 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1mnl s VAL 37 Cb 0.00 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1mnl s VAL 37 CO 0.00 0.00 -0.11 -0.51 0.00 0.00 0.00 175.10 174.48 1mnl s ILE 38 N -3.19 1.31 0.16 2.22 -1.16 -1.26 -1.64 121.20 117.64 1mnl s ILE 38 Ca 0.13 -0.48 0.00 0.00 -0.51 0.00 0.00 60.65 59.79 1mnl s ILE 38 Cb -0.05 -1.26 0.00 0.00 0.61 0.00 0.00 42.46 41.76 1mnl s ILE 38 CO 0.08 0.41 0.00 0.54 -2.81 0.00 0.00 174.94 173.16 1mnl n ARG 39 N 4.72 0.00 -1.00 3.50 5.12 -1.26 -4.49 116.66 123.25 1mnl n ARG 39 Ca -0.16 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.62 1mnl n ARG 39 Cb 0.50 -0.27 -0.06 0.00 -1.16 0.00 0.00 32.46 31.48 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 -3.37 1.85 -2.57 5.56 -0.04 -1.11 -4.84 135.00 130.49 1mnl n PRO 40 Ca 0.00 -1.27 -0.41 0.00 -0.04 0.00 0.00 63.50 61.78 1mnl n PRO 40 Cb 0.05 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 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 4.86 4.30 -0.06 0.00 -1.94 0.14 -2.52 119.30 124.09 1mnl s MET 42 Ca 0.47 0.73 0.05 0.00 -1.71 0.00 0.00 55.69 55.23 1mnl s MET 42 Cb 0.01 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 1mnl s MET 42 CO -0.07 0.39 -0.21 0.21 -0.01 0.00 0.00 175.02 175.33 1mnl s LYS 43 N -0.27 2.54 -0.08 2.03 2.36 0.50 -1.02 119.74 125.81 1mnl s LYS 43 Ca 0.31 -0.83 -0.03 0.00 -2.55 0.00 0.00 55.97 52.87 1mnl s LYS 43 Cb -0.18 -2.25 0.04 0.00 -1.05 0.00 0.00 37.83 34.39 1mnl s LYS 43 CO 0.17 0.47 0.15 0.15 1.55 0.00 0.00 175.35 177.84 1mnl s LYS 44 N -0.36 0.02 0.10 4.03 1.02 -1.12 0.85 119.74 124.28 1mnl s LYS 44 Ca 0.03 0.52 0.08 0.00 0.02 0.00 0.00 55.97 56.61 1mnl s LYS 44 Cb -0.12 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 1mnl s LYS 44 CO 0.02 -0.29 -0.20 0.99 -0.92 0.00 0.00 175.35 174.95 1mnl s THR 45 N 2.16 1.63 -0.46 2.17 2.01 -0.71 -1.84 115.64 120.60 1mnl s THR 45 Ca 0.02 -1.52 0.04 0.00 0.31 0.00 0.00 61.69 60.54 1mnl s THR 45 Cb -0.12 -1.50 0.43 0.00 0.01 0.00 0.00 72.50 71.32 1mnl s THR 45 CO -0.05 -0.09 1.35 0.00 -0.69 0.00 0.00 174.62 175.14 1mnl n ILE 46 N 1.09 2.72 -1.57 1.82 0.13 -1.03 -0.35 119.36 122.17 1mnl n ILE 46 Ca -0.20 -4.37 -0.30 0.00 -1.10 0.00 0.00 62.75 56.79 1mnl n ILE 46 Cb 0.54 -1.21 0.20 0.00 -0.84 0.00 0.00 39.64 38.33 1mnl n ILE 46 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 1mnl s TYR 47 N -3.66 1.35 0.00 9.51 2.02 -1.15 -3.05 117.35 122.37 1mnl s TYR 47 Ca 0.52 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.68 1mnl s TYR 47 Cb 0.42 -3.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.22 1mnl s TYR 47 CO -0.11 -3.04 0.00 0.39 -1.57 0.00 0.00 175.55 171.22 1mnl n GLU 48 N -4.12 0.00 0.00 -0.62 1.02 -1.07 -4.62 120.64 111.23 1mnl n GLU 48 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1mnl n GLU 48 Cb 0.59 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1mnl n GLU 48 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mnl n ASN 49 N -1.69 0.00 -0.92 1.62 5.15 0.35 -4.74 115.26 115.02 1mnl n ASN 49 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1mnl n ASN 49 Cb 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.39 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 -2.00 2.28 0.00 1.20 0.00 -1.26 -4.73 120.64 116.13 1mnl n GLU 50 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 57.16 55.31 1mnl n GLU 50 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 29.98 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1mnl n ARG 51 N 1.25 0.00 -0.90 5.31 0.00 -1.26 -5.17 116.66 115.89 1mnl n ARG 51 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1mnl n ARG 51 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 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 -0.22 0.00 -4.02 -0.14 0.28 -1.26 -5.10 120.64 110.17 1mnl n GLU 52 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 1mnl n GLU 52 Cb 0.00 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.72 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 -2.55 2.53 0.00 3.84 -1.09 -1.26 -0.50 121.20 122.17 1mnl s ILE 53 Ca 0.00 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.18 1mnl s ILE 53 Cb 0.00 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.55 1mnl s ILE 53 CO 0.00 0.15 0.00 0.29 -1.23 0.00 0.00 174.94 174.15 1mnl n LYS 54 N 4.58 0.00 -3.34 2.79 5.02 -1.26 0.26 118.16 126.22 1mnl n LYS 54 Ca -0.16 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1mnl n LYS 54 Cb 0.46 -0.69 -0.01 0.00 -0.02 0.00 0.00 35.03 34.77 1mnl n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mnl n GLY 55 N 2.28 1.86 3.12 0.72 0.00 -1.17 0.15 105.19 112.15 1mnl n GLY 55 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 1mnl n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mnl s TYR 56 N -3.51 -1.65 0.38 1.61 5.04 0.42 -2.47 117.35 117.17 1mnl s TYR 56 Ca 0.19 0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.81 1mnl s TYR 56 Cb -0.02 0.29 -0.06 0.00 0.35 0.00 0.00 41.96 42.52 1mnl s TYR 56 CO 0.13 -1.19 0.71 -1.83 -1.34 0.00 0.00 175.55 172.04 1mnl s GLU 57 N 1.67 3.71 -0.06 4.97 -1.05 -0.77 -2.60 118.70 124.57 1mnl s GLU 57 Ca 0.18 0.31 -0.02 0.00 -0.15 0.00 0.00 54.97 55.29 1mnl s GLU 57 Cb -0.04 -2.46 0.04 0.00 -0.44 0.00 0.00 34.13 31.23 1mnl s GLU 57 CO -0.07 0.01 0.12 -0.47 0.95 0.00 0.00 175.26 175.80 1mnl s TYR 58 N -2.34 -0.10 -0.68 4.83 5.04 0.26 -2.79 117.35 121.57 1mnl s TYR 58 Ca 0.49 0.42 -0.17 0.00 -2.44 0.00 0.00 57.07 55.37 1mnl s TYR 58 Cb -0.10 -0.24 0.14 0.00 0.35 0.00 0.00 41.96 42.11 1mnl s TYR 58 CO 0.33 -0.19 0.72 -0.65 -1.34 0.00 0.00 175.55 174.42 1mnl s GLN 59 N 1.70 3.24 -1.13 4.97 -0.21 -0.19 -0.81 119.66 127.23 1mnl s GLN 59 Ca -0.03 -1.77 -0.05 0.00 0.02 0.00 0.00 55.36 53.53 1mnl s GLN 59 Cb -0.12 -4.39 0.27 0.00 1.00 0.00 0.00 33.01 29.77 1mnl s GLN 59 CO -0.05 -1.45 1.63 -0.11 -2.12 0.00 0.00 175.29 173.19 1mnl n LEU 60 N 5.48 6.58 -4.60 2.90 7.94 -1.17 0.25 117.00 134.38 1mnl n LEU 60 Ca -0.01 -5.07 -0.43 0.00 -1.11 0.00 0.00 56.01 49.39 1mnl n LEU 60 Cb 0.44 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 1mnl n LEU 60 CO 0.50 1.64 1.32 -0.47 -1.11 0.00 0.00 177.39 179.27 1mnl s TYR 61 N -2.03 2.24 0.00 1.96 5.04 -1.03 -1.87 117.35 121.67 1mnl s TYR 61 Ca 0.34 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1mnl s TYR 61 Cb 0.07 -4.23 0.00 0.00 0.35 0.00 0.00 41.96 38.15 1mnl s TYR 61 CO 0.07 -2.27 0.00 1.33 -1.34 0.00 0.00 175.55 173.34 1mnl n VAL 62 N 7.10 0.00 -3.77 3.14 0.24 0.85 -2.76 118.33 123.13 1mnl n VAL 62 Ca 0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.33 1mnl n VAL 62 Cb 0.47 0.00 -0.16 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 -5.18 -0.01 0.00 6.34 5.04 -0.65 -1.84 117.35 121.05 1mnl s TYR 63 Ca 0.00 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 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 -0.11 0.00 0.00 -1.34 0.00 0.00 175.55 174.10 1mnl n ALA 64 N 4.19 0.00 -0.11 3.97 0.00 -1.02 -0.27 120.51 127.27 1mnl n ALA 64 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1mnl n ALA 64 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 1mnl n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mnl n SER 65 N 0.00 1.97 0.00 0.00 3.41 -1.26 -2.85 113.62 114.88 1mnl n SER 65 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1mnl n SER 65 Cb 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1mnl n SER 65 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1mnl n ASP 66 N -3.95 0.50 -4.39 4.04 -0.08 -1.26 -4.94 116.55 106.47 1mnl n ASP 66 Ca -0.45 -0.90 -0.45 0.00 -1.51 0.00 0.00 54.79 51.48 1mnl n ASP 66 Cb 0.89 0.08 -0.03 0.00 2.34 0.00 0.00 41.12 44.41 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1mnl s LYS 67 N -0.08 3.47 -1.14 -0.67 2.36 -1.26 -4.93 119.74 117.49 1mnl s LYS 67 Ca 0.00 -1.92 -0.03 0.00 -2.55 0.00 0.00 55.97 51.47 1mnl s LYS 67 Cb 0.00 -4.59 0.25 0.00 -1.05 0.00 0.00 37.83 32.44 1mnl s LYS 67 CO 0.00 -1.54 1.96 1.28 1.55 0.00 0.00 175.35 178.59 1mnl n LEU 68 N 5.56 7.42 0.00 5.43 4.77 -1.26 -2.43 117.00 136.48 1mnl n LEU 68 Ca 0.13 -5.17 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1mnl n LEU 68 Cb 0.47 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1mnl n LEU 68 CO 0.46 1.97 0.00 2.22 -1.33 0.00 0.00 177.39 180.71 1mnl n PHE 69 N 0.91 0.00 -4.15 -1.77 1.16 -0.76 -3.94 117.46 108.90 1mnl n PHE 69 Ca 0.49 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.90 1mnl n PHE 69 Cb 0.27 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.02 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 0.74 -0.73 3.97 3.00 -1.17 0.29 118.95 125.05 1mnl s ARG 70 Ca 0.00 -0.88 -0.13 0.00 -1.00 0.00 0.00 55.73 53.73 1mnl s ARG 70 Cb 0.00 -0.67 0.19 0.00 0.00 0.00 0.00 34.95 34.47 1mnl s ARG 70 CO 0.00 0.15 0.65 0.00 0.00 0.00 0.00 175.30 176.10 1mnl s ALA 71 N -1.26 3.90 -1.20 6.12 0.00 -0.78 -2.46 121.76 126.08 1mnl s ALA 71 Ca -0.04 -3.12 -0.22 0.00 0.00 0.00 0.00 51.96 48.58 1mnl s ALA 71 Cb -0.10 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1mnl s ALA 71 CO 0.02 -2.18 1.92 -3.47 0.00 0.00 0.00 175.76 172.04 1mnl n ASP 72 N 4.22 3.26 -4.59 0.00 2.03 0.55 -3.03 116.55 118.99 1mnl n ASP 72 Ca 0.06 -2.72 -0.42 0.00 0.52 0.00 0.00 54.79 52.23 1mnl n ASP 72 Cb 0.44 -1.74 -0.03 0.00 -0.72 0.00 0.00 41.12 39.08 1mnl n ASP 72 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mnl s ILE 73 N 10.29 3.47 -0.33 5.18 -1.09 0.01 -1.30 121.20 137.44 1mnl s ILE 73 Ca 0.67 0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 59.43 1mnl s ILE 73 Cb 0.00 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1mnl s ILE 73 CO 0.13 -0.52 0.18 -0.55 -1.23 0.00 0.00 174.94 172.96 1mnl s SER 74 N 6.44 5.71 -0.19 3.58 0.15 0.49 0.90 113.70 130.78 1mnl s SER 74 Ca 0.77 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 1mnl s SER 74 Cb -0.20 -2.04 0.09 0.00 -1.71 0.00 0.00 66.02 62.16 1mnl s SER 74 CO 0.31 -0.23 0.24 -1.61 1.20 0.00 0.00 173.24 173.15 1mnl s GLU 75 N 1.64 0.19 0.00 5.44 2.02 -1.07 -1.03 118.70 125.89 1mnl s GLU 75 Ca 0.05 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.37 1mnl s GLU 75 Cb -0.17 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.14 1mnl s GLU 75 CO 0.07 -0.58 0.00 -0.25 0.02 0.00 0.00 175.26 174.52 1mnl n ASP 76 N 5.33 0.00 0.04 -0.19 8.00 -0.94 0.16 116.55 128.95 1mnl n ASP 76 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1mnl n ASP 76 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mnl n TYR 77 N 0.00 -2.45 0.30 1.24 4.19 0.41 -4.43 117.16 116.42 1mnl n TYR 77 Ca 0.00 0.25 -0.14 0.00 3.31 0.00 0.00 57.90 61.32 1mnl n TYR 77 Cb 0.00 0.96 -0.07 0.00 0.49 0.00 0.00 39.34 40.72 1mnl n TYR 77 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1mnl h LYS 78 N 0.00 -0.76 -0.01 2.98 1.63 0.53 -2.61 116.57 118.32 1mnl h LYS 78 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1mnl h LYS 78 Cb 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1mnl h LYS 78 CO 0.00 -0.46 0.00 0.25 -3.45 0.00 0.00 179.45 175.79 1mnl n THR 79 N -5.32 0.02 -3.64 1.00 -2.24 -1.26 -4.87 114.28 97.97 1mnl n THR 79 Ca -0.11 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 1mnl n THR 79 Cb 0.34 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mnl n ARG 80 N -0.73 -5.91 0.00 -0.78 5.12 -0.99 -4.90 116.66 108.48 1mnl n ARG 80 Ca 0.19 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 1mnl n ARG 80 Cb 0.12 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 25.81 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 -1.71 -1.43 0.00 -0.13 0.00 -1.26 -4.81 105.19 95.85 1mnl n GLY 81 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.41 0.00 -3.32 1.61 1.74 -1.26 -4.86 116.66 110.15 1mnl n ARG 82 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1mnl n ARG 82 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 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 -1.74 0.48 0.03 5.56 1.02 -1.23 -2.20 119.74 121.65 1mnl s LYS 83 Ca 0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 55.97 55.80 1mnl s LYS 83 Cb 0.00 -0.41 0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1mnl s LYS 83 CO 0.00 -1.08 0.23 -0.11 -0.92 0.00 0.00 175.35 173.47 1mnl n LEU 84 N 5.05 0.00 0.00 3.17 7.94 -0.19 -5.00 117.00 127.97 1mnl n LEU 84 Ca 0.03 -0.27 -0.14 0.00 -1.11 0.00 0.00 56.01 54.52 1mnl n LEU 84 Cb 0.49 0.56 -0.02 0.00 0.53 0.00 0.00 43.42 44.98 1mnl n LEU 84 CO 0.01 -0.09 0.24 0.00 -1.11 0.00 0.00 177.39 176.44 1mnl n LEU 85 N 0.00 0.00 -3.71 -1.96 -0.00 -1.25 0.19 117.00 110.26 1mnl n LEU 85 Ca -0.00 -2.82 -0.13 0.00 -0.00 0.00 0.00 56.01 53.06 1mnl n LEU 85 Cb 0.12 2.82 -0.13 0.00 -0.00 0.00 0.00 43.42 46.23 1mnl n LEU 85 CO 0.04 -0.70 -0.15 -0.13 -0.00 0.00 0.00 177.39 176.46 1mnl s ARG 86 N -2.66 0.16 -0.77 1.47 0.52 -0.42 -4.76 118.95 112.49 1mnl s ARG 86 Ca 0.27 0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 55.95 1mnl s ARG 86 Cb -0.02 -0.12 0.20 0.00 0.52 0.00 0.00 34.95 35.53 1mnl s ARG 86 CO 0.19 -0.20 0.66 -0.06 0.02 0.00 0.00 175.30 175.91 1mnl s PHE 87 N 1.62 3.65 0.00 -0.53 0.40 -1.23 0.21 117.98 122.09 1mnl s PHE 87 Ca -0.06 -2.30 0.00 0.00 -0.60 0.00 0.00 56.93 53.97 1mnl s PHE 87 Cb -0.11 -3.58 0.00 0.00 0.51 0.00 0.00 43.02 39.84 1mnl s PHE 87 CO -0.08 -0.93 0.00 0.09 0.70 0.00 0.00 175.22 175.00 1mnl n ASN 88 N 3.70 2.14 -3.81 1.36 3.02 -1.03 -4.91 115.26 115.73 1mnl n ASN 88 Ca 0.12 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.44 1mnl n ASN 88 Cb 0.43 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.28 3.76 7.41 0.00 -1.26 -3.05 105.19 111.76 1mnl n GLY 89 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.22 2.36 0.00 1.61 0.04 -1.26 -4.56 135.00 126.97 1mnl s PRO 90 Ca 0.02 1.29 0.16 0.00 0.04 0.00 0.00 61.00 62.51 1mnl s PRO 90 Cb -0.01 -1.90 0.94 0.00 0.04 0.00 0.00 34.50 33.57 1mnl s PRO 90 CO 0.85 -1.58 1.35 1.33 0.04 0.00 0.00 177.00 178.99