#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 1.76 -0.09 1.61 2.56 -0.39 -5.01 118.70 119.14 1mnl s GLU 2 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 54.97 52.64 1mnl s GLU 2 Cb 0.00 -0.69 0.08 0.00 2.00 0.00 0.00 34.13 35.52 1mnl s GLU 2 CO 0.00 -0.34 0.75 1.67 -0.56 0.00 0.00 175.26 176.78 1mnl s TRP 3 N -3.30 -0.61 -0.24 5.30 1.48 -1.26 -2.35 118.94 117.95 1mnl s TRP 3 Ca 0.30 1.10 -0.36 0.00 -1.06 0.00 0.00 56.10 56.08 1mnl s TRP 3 Cb 0.06 0.41 0.15 0.00 -1.16 0.00 0.00 33.47 32.92 1mnl s TRP 3 CO 0.15 -0.53 1.29 -1.83 -4.06 0.00 0.00 176.95 171.96 1mnl s GLU 4 N -1.02 0.18 0.37 3.25 4.04 0.16 -4.96 118.70 120.72 1mnl s GLU 4 Ca -0.08 -0.06 0.02 0.00 0.04 0.00 0.00 54.97 54.89 1mnl s GLU 4 Cb -0.01 0.08 0.07 0.00 0.02 0.00 0.00 34.13 34.30 1mnl s GLU 4 CO 0.07 -0.08 0.50 0.44 -1.84 0.00 0.00 175.26 174.36 1mnl n ILE 5 N -0.01 0.00 -2.74 1.83 -5.35 -1.26 0.92 119.36 112.74 1mnl n ILE 5 Ca 0.02 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 1mnl n ILE 5 Cb 0.57 -0.99 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1mnl n ILE 5 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1mnl n ILE 6 N -2.01 0.00 -2.76 7.28 -0.00 -1.10 -4.74 119.36 116.04 1mnl n ILE 6 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.73 1mnl n ILE 6 Cb 0.32 -0.77 0.02 0.00 -0.00 0.00 0.00 39.64 39.21 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 -1.28 1.34 -4.47 7.28 2.03 -1.26 -4.96 116.55 115.23 1mnl n ASP 7 Ca 0.00 -2.77 -0.42 0.00 0.52 0.00 0.00 54.79 52.13 1mnl n ASP 7 Cb 0.00 -0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 39.78 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 0.00 -0.03 0.08 5.18 3.06 -1.26 -4.55 119.36 121.83 1mnl n ILE 8 Ca 0.12 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1mnl n ILE 8 Cb 0.79 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 40.47 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 -1.10 -0.83 0.00 4.50 0.00 -1.26 -4.93 105.19 101.58 1mnl n GLY 9 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.91 0.00 -0.44 1.61 -0.04 -1.26 -3.16 135.00 128.80 1mnl n PRO 10 Ca 0.00 0.00 0.39 0.00 -0.04 0.00 0.00 63.50 63.85 1mnl n PRO 10 Cb 0.00 -0.35 0.60 0.00 -0.04 0.00 0.00 33.50 33.71 1mnl n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1mnl n PHE 11 N -0.23 0.00 0.44 0.54 3.01 -1.26 0.58 117.46 120.54 1mnl n PHE 11 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1mnl n PHE 11 Cb 0.00 -0.36 -0.09 0.00 -0.01 0.00 0.00 39.48 39.02 1mnl n PHE 11 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1mnl h THR 12 N 0.00 0.17 0.00 4.37 1.35 -1.92 -0.40 112.91 116.48 1mnl h THR 12 Ca 0.68 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.51 1mnl h THR 12 Cb 3.21 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1mnl h THR 12 CO -0.01 0.00 0.03 0.06 -0.25 0.00 0.00 175.52 175.36 1mnl h GLN 13 N -1.13 0.00 0.19 4.72 3.07 0.18 -2.62 115.11 119.52 1mnl h GLN 13 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 1mnl h GLN 13 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 1mnl h GLN 13 CO 0.19 0.00 -0.09 -0.91 0.09 0.00 0.00 178.83 178.10 1mnl h ASN 14 N 0.00 -0.22 -1.33 0.06 4.21 -0.73 -3.10 115.58 114.47 1mnl h ASN 14 Ca 0.00 0.01 0.41 0.00 1.21 0.00 0.00 56.30 57.93 1mnl h ASN 14 Cb 0.07 0.06 -0.11 0.00 -1.12 0.00 0.00 38.32 37.22 1mnl h ASN 14 CO 0.00 0.25 0.88 0.17 -1.29 0.00 0.00 177.43 177.44 1mnl h LEU 15 N -1.07 0.23 0.39 1.61 8.10 -0.83 0.65 115.31 124.39 1mnl h LEU 15 Ca -0.03 0.10 -0.02 0.00 0.11 0.00 0.00 57.88 58.04 1mnl h LEU 15 Cb 0.20 0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1mnl h LEU 15 CO 0.04 -0.10 -0.19 1.23 -4.11 0.00 0.00 178.44 175.32 1mnl h GLY 16 N 0.12 -0.55 0.13 0.17 0.00 -1.57 -1.89 103.07 99.47 1mnl h GLY 16 Ca 0.77 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 48.30 1mnl h GLY 16 CO -0.31 -0.20 -0.06 0.50 0.00 0.00 0.00 176.54 176.46 1mnl h LYS 17 N -0.66 -0.16 0.00 4.80 1.57 0.09 -2.90 116.57 119.31 1mnl h LYS 17 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1mnl h LYS 17 Cb 0.48 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1mnl h LYS 17 CO 0.09 -0.11 0.00 1.19 -0.57 0.00 0.00 179.45 180.05 1mnl n PHE 18 N -3.10 0.00 -0.08 -1.35 3.01 0.16 -0.73 117.46 115.37 1mnl n PHE 18 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 1mnl n PHE 18 Cb 0.07 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.24 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 -2.08 -0.12 -0.26 4.37 0.00 -0.71 0.24 120.51 121.95 1mnl n ALA 19 Ca 0.00 0.15 0.31 0.00 0.00 0.00 0.00 53.44 53.91 1mnl n ALA 19 Cb 0.00 0.38 0.55 0.00 0.00 0.00 0.00 19.45 20.38 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 0.06 0.00 0.00 2.07 -1.23 2.16 116.25 119.31 1mnl h VAL 20 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1mnl h VAL 20 Cb 0.07 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1mnl h VAL 20 CO -0.17 0.00 -0.27 0.47 0.02 0.00 0.00 177.57 177.63 1mnl n ASP 21 N -3.44 0.65 0.25 0.57 8.00 0.65 -2.64 116.55 120.60 1mnl n ASP 21 Ca 0.25 0.24 0.14 0.00 0.71 0.00 0.00 54.79 56.13 1mnl n ASP 21 Cb 1.49 -0.61 0.82 0.00 -0.02 0.00 0.00 41.12 42.80 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 -0.35 0.00 0.14 -1.24 4.39 0.17 1.56 114.58 119.25 1mnl h GLU 22 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1mnl h GLU 22 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1mnl h GLU 22 CO 0.00 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 179.27 1mnl h GLU 23 N 0.00 -0.18 -0.78 2.33 4.22 0.34 0.16 114.58 120.67 1mnl h GLU 23 Ca 0.03 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.59 1mnl h GLU 23 Cb 0.15 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1mnl h GLU 23 CO -0.00 -0.12 0.41 -0.97 -2.18 0.00 0.00 179.01 176.15 1mnl h ASN 24 N -0.90 0.55 0.58 1.04 -0.73 -1.24 0.23 115.58 115.12 1mnl h ASN 24 Ca -0.02 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1mnl h ASN 24 Cb 0.14 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1mnl h ASN 24 CO 0.03 0.29 -0.47 0.50 -0.37 0.00 0.00 177.43 177.41 1mnl h LYS 25 N 0.67 -0.99 -0.00 6.67 1.63 0.22 0.62 116.57 125.38 1mnl h LYS 25 Ca 0.39 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1mnl h LYS 25 Cb 0.44 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1mnl h LYS 25 CO -0.29 -0.66 0.23 0.97 -3.45 0.00 0.00 179.45 176.26 1mnl h ILE 26 N -1.03 0.00 -2.83 2.00 -0.00 0.29 -3.45 117.51 112.50 1mnl h ILE 26 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.79 1mnl h ILE 26 Cb 0.87 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 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 -1.18 0.84 0.57 8.18 0.00 0.73 -5.03 105.19 109.30 1mnl n GLY 27 Ca -0.02 -0.31 -0.01 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 -1.38 0.02 0.00 1.61 7.27 -0.98 -5.02 117.38 118.90 1mnl n GLN 28 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1mnl n GLN 28 Cb 0.47 -0.73 0.00 0.00 2.41 0.00 0.00 30.24 32.39 1mnl n GLN 28 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1mnl n TYR 29 N -2.83 -0.03 -1.94 3.69 9.36 -1.26 -5.04 117.16 119.11 1mnl n TYR 29 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1mnl n TYR 29 Cb 0.51 0.32 0.00 0.00 -0.63 0.00 0.00 39.34 39.54 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 1.27 0.80 0.35 2.98 0.00 -1.26 -4.89 105.19 104.44 1mnl n GLY 30 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.55 0.00 -2.67 1.61 1.74 -1.26 -5.00 116.66 110.52 1mnl n ARG 31 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1mnl n ARG 31 Cb 0.41 -0.02 0.04 0.00 -1.02 0.00 0.00 32.46 31.88 1mnl n ARG 31 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1mnl n LEU 32 N -1.61 -1.45 -3.71 0.55 -0.00 -1.26 -5.04 117.00 104.47 1mnl n LEU 32 Ca 0.00 -2.44 -0.18 0.00 -0.00 0.00 0.00 56.01 53.39 1mnl n LEU 32 Cb 0.00 0.57 -0.19 0.00 -0.00 0.00 0.00 43.42 43.80 1mnl n LEU 32 CO 0.00 1.45 1.73 0.35 -0.00 0.00 0.00 177.39 180.92 1mnl n THR 33 N -0.48 0.00 0.00 1.47 -2.24 -1.26 -4.59 114.28 107.18 1mnl n THR 33 Ca -0.17 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1mnl n THR 33 Cb 0.72 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1mnl n THR 33 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1mnl n PHE 34 N 4.63 0.00 0.13 4.78 7.35 -1.26 -3.53 117.46 129.55 1mnl n PHE 34 Ca 0.56 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 1mnl n PHE 34 Cb 0.11 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.94 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mnl n ASN 35 N 0.00 -2.03 0.00 -2.13 4.05 -1.26 -4.35 115.26 109.55 1mnl n ASN 35 Ca 0.00 0.49 0.00 0.00 0.45 0.00 0.00 54.58 55.52 1mnl n ASN 35 Cb 0.00 2.07 0.00 0.00 1.23 0.00 0.00 39.78 43.08 1mnl n ASN 35 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1mnl n LYS 36 N -3.07 0.00 -3.86 1.20 4.76 -1.07 -4.90 118.16 111.22 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 -0.01 -0.01 0.00 -1.84 0.00 0.00 35.03 33.17 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 -0.33 -0.18 1.01 0.15 -4.94 120.40 116.11 1mnl s VAL 37 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1mnl s VAL 37 Cb 0.00 -2.26 0.10 0.00 0.00 0.00 0.00 36.38 34.22 1mnl s VAL 37 CO 0.00 0.00 0.10 -0.51 0.00 0.00 0.00 175.10 174.69 1mnl s ILE 38 N -3.48 1.39 -0.11 2.22 2.07 -1.26 -1.43 121.20 120.60 1mnl s ILE 38 Ca 0.13 -1.82 -0.09 0.00 -1.41 0.00 0.00 60.65 57.46 1mnl s ILE 38 Cb -0.05 -2.03 -0.05 0.00 0.13 0.00 0.00 42.46 40.45 1mnl s ILE 38 CO 0.09 -0.67 -0.20 -1.14 -1.91 0.00 0.00 174.94 171.10 1mnl n ARG 39 N 4.53 0.32 -1.28 3.50 0.63 -1.26 -4.26 116.66 118.84 1mnl n ARG 39 Ca 0.01 0.14 -0.22 0.00 -0.92 0.00 0.00 57.85 56.86 1mnl n ARG 39 Cb 0.41 -1.05 -0.10 0.00 0.45 0.00 0.00 32.46 32.16 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 -3.88 2.45 -3.55 -0.14 -0.04 -1.18 -4.85 135.00 123.81 1mnl n PRO 40 Ca -0.20 -1.78 -0.41 0.00 -0.04 0.00 0.00 63.50 61.06 1mnl n PRO 40 Cb 0.52 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 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 1.51 3.49 0.06 0.00 -1.94 0.94 -2.73 119.30 120.63 1mnl s MET 42 Ca 0.03 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.59 1mnl s MET 42 Cb -0.22 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 1mnl s MET 42 CO 0.04 0.35 -0.06 0.21 -0.01 0.00 0.00 175.02 175.55 1mnl s LYS 43 N -3.71 0.61 0.13 2.03 2.36 0.26 -1.85 119.74 119.57 1mnl s LYS 43 Ca 0.38 -0.99 -0.24 0.00 -2.55 0.00 0.00 55.97 52.57 1mnl s LYS 43 Cb -0.10 -0.13 0.07 0.00 -1.05 0.00 0.00 37.83 36.62 1mnl s LYS 43 CO 0.31 -0.01 0.62 0.21 1.55 0.00 0.00 175.35 178.03 1mnl s LYS 44 N -2.64 1.24 -0.03 4.03 2.20 -0.78 0.41 119.74 124.17 1mnl s LYS 44 Ca -0.01 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 1mnl s LYS 44 Cb -0.02 0.57 0.07 0.00 -1.51 0.00 0.00 37.83 36.93 1mnl s LYS 44 CO -0.03 -0.53 0.65 0.99 -0.36 0.00 0.00 175.35 176.08 1mnl s THR 45 N -3.44 0.00 -0.63 3.43 2.01 -0.99 -1.68 115.64 114.34 1mnl s THR 45 Ca -0.00 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1mnl s THR 45 Cb -0.01 -0.98 0.32 0.00 0.01 0.00 0.00 72.50 71.83 1mnl s THR 45 CO -0.10 -0.01 0.96 0.00 -0.69 0.00 0.00 174.62 174.77 1mnl n ILE 46 N 0.79 3.13 0.00 1.82 0.13 -0.78 -1.26 119.36 123.20 1mnl n ILE 46 Ca -0.19 -5.53 0.00 0.00 -1.10 0.00 0.00 62.75 55.93 1mnl n ILE 46 Cb 0.58 -1.60 0.00 0.00 -0.84 0.00 0.00 39.64 37.78 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 0.06 -0.42 -0.17 9.51 0.18 -1.24 -3.07 117.16 122.02 1mnl n TYR 47 Ca 0.32 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.10 1mnl n TYR 47 Cb 0.39 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 1mnl n TYR 47 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1mnl n GLU 48 N 0.00 -0.12 0.00 -3.48 0.00 -1.09 -3.98 120.64 111.96 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 -1.46 0.00 -0.04 -1.84 2.85 -1.26 -4.63 115.26 108.88 1mnl n ASN 49 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 1mnl n ASN 49 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1mnl n GLU 50 N -0.80 0.18 -0.19 1.20 2.13 -1.26 -4.98 120.64 116.92 1mnl n GLU 50 Ca 0.00 0.05 -0.00 0.00 0.66 0.00 0.00 57.16 57.87 1mnl n GLU 50 Cb 0.00 -1.02 -0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 -2.95 0.00 -3.67 5.31 0.63 -1.26 -5.14 116.66 109.59 1mnl n ARG 51 Ca -0.14 -0.02 -0.12 0.00 -0.92 0.00 0.00 57.85 56.65 1mnl n ARG 51 Cb 0.63 0.03 -0.12 0.00 0.45 0.00 0.00 32.46 33.44 1mnl n ARG 51 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1mnl s GLU 52 N 0.00 0.19 0.30 -0.14 -1.05 -1.26 -5.09 118.70 111.64 1mnl s GLU 52 Ca 0.00 0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 55.32 1mnl s GLU 52 Cb 0.00 0.02 -0.10 0.00 -0.44 0.00 0.00 34.13 33.62 1mnl s GLU 52 CO 0.00 -0.27 1.28 0.42 0.95 0.00 0.00 175.26 177.65 1mnl s ILE 53 N 2.36 2.90 0.00 1.83 1.01 -1.26 -2.67 121.20 125.37 1mnl s ILE 53 Ca -0.00 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1mnl s ILE 53 Cb -0.12 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1mnl s ILE 53 CO -0.09 0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.33 1mnl n LYS 54 N 1.23 0.00 -3.81 2.79 5.02 -1.26 -3.30 118.16 118.84 1mnl n LYS 54 Ca 0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.29 1mnl n LYS 54 Cb 0.42 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 -1.72 -0.13 0.46 0.72 0.00 -1.18 0.28 107.32 105.75 1mnl s GLY 55 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.84 1mnl s GLY 55 CO 0.00 1.93 0.11 -0.19 0.00 0.00 0.00 173.10 174.95 1mnl s TYR 56 N -2.45 2.25 0.00 1.90 1.51 0.50 -1.86 117.35 119.20 1mnl s TYR 56 Ca 0.19 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1mnl s TYR 56 Cb -0.00 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1mnl s TYR 56 CO 0.01 0.20 0.00 -0.85 -1.11 0.00 0.00 175.55 173.80 1mnl n GLU 57 N -1.23 0.00 -4.02 -0.62 -0.00 -0.68 -0.52 120.64 113.57 1mnl n GLU 57 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 56.98 1mnl n GLU 57 Cb 0.66 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 32.05 1mnl n GLU 57 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1mnl s TYR 58 N -0.07 0.53 -0.22 -1.84 -0.85 -0.88 -1.87 117.35 112.16 1mnl s TYR 58 Ca 0.00 -0.87 0.01 0.00 -0.52 0.00 0.00 57.07 55.69 1mnl s TYR 58 Cb 0.00 0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.50 1mnl s TYR 58 CO 0.00 -1.01 -0.08 1.14 -1.52 0.00 0.00 175.55 174.07 1mnl s GLN 59 N -3.80 1.90 -0.98 -3.49 0.00 -0.77 -2.74 119.66 109.78 1mnl s GLN 59 Ca 0.25 -0.96 -0.01 0.00 -0.00 0.00 0.00 55.36 54.64 1mnl s GLN 59 Cb -0.00 -2.53 0.30 0.00 0.00 0.00 0.00 33.01 30.78 1mnl s GLN 59 CO 0.11 -0.51 1.38 -0.11 0.00 0.00 0.00 175.29 176.17 1mnl n LEU 60 N 4.65 6.02 -4.60 2.60 0.00 -1.18 -0.04 117.00 124.45 1mnl n LEU 60 Ca -0.14 -5.30 -0.43 0.00 0.00 0.00 0.00 56.01 50.14 1mnl n LEU 60 Cb 0.45 -1.12 -0.03 0.00 0.00 0.00 0.00 43.42 42.72 1mnl n LEU 60 CO 0.19 1.84 1.46 -0.47 0.00 0.00 0.00 177.39 180.41 1mnl s TYR 61 N -2.99 1.95 0.00 1.96 5.04 -0.93 -2.31 117.35 120.08 1mnl s TYR 61 Ca 0.34 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1mnl s TYR 61 Cb 0.10 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1mnl s TYR 61 CO 0.05 -2.70 0.00 1.33 -1.34 0.00 0.00 175.55 172.89 1mnl n VAL 62 N 7.33 0.00 -3.81 3.14 0.24 0.53 -3.11 118.33 122.64 1mnl n VAL 62 Ca 0.21 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.32 1mnl n VAL 62 Cb 0.47 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.67 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 -4.64 0.32 0.00 6.34 5.04 -0.51 -1.19 117.35 122.71 1mnl s TYR 63 Ca 0.00 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 1mnl s TYR 63 Cb 0.00 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1mnl s TYR 63 CO 0.00 -0.19 0.00 0.00 -1.34 0.00 0.00 175.55 174.02 1mnl n ALA 64 N 4.72 0.00 -0.08 3.97 0.00 -0.99 0.34 120.51 128.47 1mnl n ALA 64 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 1mnl n ALA 64 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.01 0.00 0.87 -1.83 -3.08 113.55 109.49 1mnl h SER 65 Ca 0.00 -0.57 -0.09 0.00 -1.23 0.00 0.00 61.79 59.90 1mnl h SER 65 Cb 0.00 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 61.79 1mnl h SER 65 CO 0.00 1.07 -0.74 -0.67 -0.53 0.00 0.00 176.83 175.96 1mnl n ASP 66 N -4.57 1.45 -3.76 6.23 2.03 -1.26 -4.92 116.55 111.75 1mnl n ASP 66 Ca -0.16 -3.08 -0.28 0.00 0.52 0.00 0.00 54.79 51.79 1mnl n ASP 66 Cb 0.46 -0.43 -0.12 0.00 -0.72 0.00 0.00 41.12 40.31 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1mnl s LYS 67 N -1.88 2.04 -1.30 -0.67 2.36 -1.26 -4.97 119.74 114.06 1mnl s LYS 67 Ca 0.36 -3.01 -0.05 0.00 -2.55 0.00 0.00 55.97 50.72 1mnl s LYS 67 Cb 0.38 -2.88 0.11 0.00 -1.05 0.00 0.00 37.83 34.40 1mnl s LYS 67 CO -0.11 -1.31 2.41 1.28 1.55 0.00 0.00 175.35 179.17 1mnl n LEU 68 N 2.22 8.02 0.00 5.43 4.32 -1.26 -2.35 117.00 133.37 1mnl n LEU 68 Ca 0.22 -4.85 0.00 0.00 -0.02 0.00 0.00 56.01 51.36 1mnl n LEU 68 Cb 0.38 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 1mnl n LEU 68 CO 0.22 2.05 0.00 2.22 -1.22 0.00 0.00 177.39 180.66 1mnl n PHE 69 N 1.72 0.00 -4.78 -1.77 1.16 -0.33 -3.91 117.46 109.55 1mnl n PHE 69 Ca 0.62 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.88 1mnl n PHE 69 Cb 0.26 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.00 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 -0.30 2.52 -0.50 3.97 3.52 0.28 0.20 118.95 128.64 1mnl s ARG 70 Ca 0.00 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 54.75 1mnl s ARG 70 Cb 0.00 -2.42 0.09 0.00 -1.56 0.00 0.00 34.95 31.06 1mnl s ARG 70 CO 0.00 0.62 0.45 0.00 -0.81 0.00 0.00 175.30 175.57 1mnl s ALA 71 N -0.79 3.57 0.61 6.12 0.00 -0.98 -1.96 121.76 128.34 1mnl s ALA 71 Ca 0.12 -2.22 -0.13 0.00 0.00 0.00 0.00 51.96 49.73 1mnl s ALA 71 Cb -0.11 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1mnl s ALA 71 CO 0.02 -1.86 1.03 0.34 0.00 0.00 0.00 175.76 175.29 1mnl s ASP 72 N 2.95 5.97 -0.29 0.00 -1.08 0.17 -3.11 116.67 121.27 1mnl s ASP 72 Ca 0.05 1.60 0.02 0.00 -0.52 0.00 0.00 52.55 53.70 1mnl s ASP 72 Cb -0.26 -2.50 0.20 0.00 -1.46 0.00 0.00 42.92 38.90 1mnl s ASP 72 CO 0.06 -1.04 0.67 -0.63 0.52 0.00 0.00 175.17 174.75 1mnl s ILE 73 N -2.86 -0.87 -0.09 4.11 -1.09 -1.11 -2.55 121.20 116.75 1mnl s ILE 73 Ca 0.59 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 1mnl s ILE 73 Cb -0.13 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.85 1mnl s ILE 73 CO 0.45 0.00 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.49 1mnl s SER 74 N 2.86 4.14 -0.25 3.58 0.15 -0.60 -2.07 113.70 121.50 1mnl s SER 74 Ca 0.14 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.36 1mnl s SER 74 Cb -0.09 -1.28 0.07 0.00 -1.71 0.00 0.00 66.02 63.01 1mnl s SER 74 CO -0.25 0.26 0.64 -1.61 1.20 0.00 0.00 173.24 173.48 1mnl s GLU 75 N -0.20 0.71 0.00 5.44 2.02 0.32 -1.97 118.70 125.02 1mnl s GLU 75 Ca 0.01 0.97 0.00 0.00 0.02 0.00 0.00 54.97 55.97 1mnl s GLU 75 Cb -0.13 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1mnl s GLU 75 CO 0.03 -0.11 0.00 -3.47 0.02 0.00 0.00 175.26 171.73 1mnl n ASP 76 N 3.28 0.00 0.16 -0.19 2.03 -1.12 0.19 116.55 120.90 1mnl n ASP 76 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1mnl n ASP 76 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mnl n TYR 77 N 0.00 -3.95 0.09 -0.67 4.19 0.81 -3.36 117.16 114.27 1mnl n TYR 77 Ca 0.00 1.09 -0.07 0.00 3.31 0.00 0.00 57.90 62.23 1mnl n TYR 77 Cb 0.00 2.86 -0.04 0.00 0.49 0.00 0.00 39.34 42.64 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 -0.31 -0.49 2.98 3.64 -1.58 -3.29 116.57 117.52 1mnl h LYS 78 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1mnl h LYS 78 Cb 0.00 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1mnl h LYS 78 CO 0.00 -0.09 0.00 2.41 -2.27 0.00 0.00 179.45 179.50 1mnl n THR 79 N -4.98 0.65 -1.34 1.00 -1.04 -1.26 -4.88 114.28 102.43 1mnl n THR 79 Ca -0.05 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.05 61.16 1mnl n THR 79 Cb 0.18 0.37 -0.05 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.99 -1.68 0.00 -2.82 5.12 -1.24 -4.78 116.66 112.25 1mnl n ARG 80 Ca 0.17 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 57.01 1mnl n ARG 80 Cb 0.43 -5.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.40 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 0.18 0.00 1.77 -0.13 0.00 -1.26 -4.25 105.19 101.50 1mnl n GLY 81 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.51 -3.85 1.61 1.74 -1.26 -4.88 116.66 110.53 1mnl n ARG 82 Ca 0.00 -1.00 -0.12 0.00 -0.77 0.00 0.00 57.85 55.96 1mnl n ARG 82 Cb 0.00 1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 32.60 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 -2.04 0.49 -0.07 5.56 3.01 -1.25 -2.78 119.74 122.65 1mnl s LYS 83 Ca 0.08 -0.31 -0.31 0.00 -1.01 0.00 0.00 55.97 54.41 1mnl s LYS 83 Cb -0.02 0.21 0.12 0.00 -1.01 0.00 0.00 37.83 37.12 1mnl s LYS 83 CO 0.05 -0.12 1.02 -1.17 0.51 0.00 0.00 175.35 175.65 1mnl s LEU 84 N -1.25 -0.27 0.33 3.17 1.98 -0.83 -4.94 118.68 116.87 1mnl s LEU 84 Ca -0.13 -0.01 -0.14 0.00 -2.89 0.00 0.00 54.13 50.96 1mnl s LEU 84 Cb -0.07 1.76 0.03 0.00 0.66 0.00 0.00 46.19 48.57 1mnl s LEU 84 CO 0.02 -0.47 0.65 -1.48 -1.89 0.00 0.00 176.35 173.18 1mnl s LEU 85 N -2.38 0.21 -0.25 -0.68 2.34 -1.25 -1.56 118.68 115.11 1mnl s LEU 85 Ca 0.07 -1.06 -0.15 0.00 0.06 0.00 0.00 54.13 53.05 1mnl s LEU 85 Cb -0.01 2.34 0.07 0.00 -0.56 0.00 0.00 46.19 48.03 1mnl s LEU 85 CO -0.07 -1.44 0.61 -0.13 -1.06 0.00 0.00 176.35 174.27 1mnl s ARG 86 N -3.13 0.64 -0.88 1.48 0.52 -1.06 -4.74 118.95 111.79 1mnl s ARG 86 Ca 0.19 1.06 0.01 0.00 -0.52 0.00 0.00 55.73 56.47 1mnl s ARG 86 Cb -0.04 0.14 0.31 0.00 0.52 0.00 0.00 34.95 35.88 1mnl s ARG 86 CO 0.12 -0.14 1.34 1.19 0.02 0.00 0.00 175.30 177.83 1mnl n PHE 87 N 4.04 3.04 -2.24 -0.53 3.72 -1.23 0.43 117.46 124.69 1mnl n PHE 87 Ca -0.20 -3.17 0.00 0.00 -0.05 0.00 0.00 57.45 54.04 1mnl n PHE 87 Cb 0.57 -0.95 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 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 0.48 0.00 -2.58 4.37 4.13 -0.83 -4.80 115.26 116.04 1mnl n ASN 88 Ca 0.34 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.50 1mnl n ASN 88 Cb 0.34 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.63 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mnl n GLY 89 N 0.00 -0.17 0.61 7.41 0.00 -1.26 0.10 105.19 111.88 1mnl n GLY 89 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.90 -1.88 0.00 1.61 -0.04 -1.26 -3.48 135.00 127.05 1mnl n PRO 90 Ca -0.15 -0.29 0.14 0.00 -0.04 0.00 0.00 63.50 63.16 1mnl n PRO 90 Cb 0.60 -0.32 0.82 0.00 -0.04 0.00 0.00 33.50 34.57 1mnl n PRO 90 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74