#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 1.79 -0.08 1.61 2.56 -0.56 -5.03 118.70 118.99 1mnl s GLU 2 Ca 0.00 -1.83 -0.21 0.00 0.00 0.00 0.00 54.97 52.94 1mnl s GLU 2 Cb 0.00 -1.77 0.05 0.00 2.00 0.00 0.00 34.13 34.41 1mnl s GLU 2 CO 0.00 0.24 0.49 1.67 -0.56 0.00 0.00 175.26 177.09 1mnl s TRP 3 N -2.55 -0.45 0.18 5.30 -2.14 -1.26 -2.26 118.94 115.76 1mnl s TRP 3 Ca 0.31 0.88 -0.06 0.00 2.66 0.00 0.00 56.10 59.90 1mnl s TRP 3 Cb -0.02 0.22 0.02 0.00 -3.10 0.00 0.00 33.47 30.60 1mnl s TRP 3 CO 0.16 -0.42 0.34 0.39 -2.66 0.00 0.00 176.95 174.76 1mnl n GLU 4 N 1.64 0.48 -4.61 3.25 1.02 0.14 -4.96 120.64 117.61 1mnl n GLU 4 Ca -0.18 -1.09 -0.28 0.00 -0.02 0.00 0.00 57.16 55.60 1mnl n GLU 4 Cb 0.56 1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 33.16 1mnl n GLU 4 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1mnl s ILE 5 N -2.59 1.66 0.00 -3.67 2.07 -1.26 0.21 121.20 117.61 1mnl s ILE 5 Ca 0.09 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.33 1mnl s ILE 5 Cb -0.02 -2.80 0.00 0.00 0.13 0.00 0.00 42.46 39.78 1mnl s ILE 5 CO 0.06 0.00 0.00 2.30 -1.91 0.00 0.00 174.94 175.39 1mnl n ILE 6 N -0.97 0.00 -2.71 2.00 -0.00 -1.19 -4.71 119.36 111.79 1mnl n ILE 6 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.62 1mnl n ILE 6 Cb 0.67 -1.95 0.07 0.00 -0.00 0.00 0.00 39.64 38.43 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 -1.26 0.28 -4.51 7.28 2.03 -1.26 -4.97 116.55 114.13 1mnl n ASP 7 Ca 0.00 -2.44 -0.42 0.00 0.52 0.00 0.00 54.79 52.45 1mnl n ASP 7 Cb 0.00 0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.49 -0.10 0.16 5.18 3.06 -1.26 -4.57 119.36 121.34 1mnl n ILE 8 Ca 0.02 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1mnl n ILE 8 Cb 0.83 -0.54 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 -1.20 -0.81 0.00 4.50 0.00 -1.26 -4.94 105.19 101.48 1mnl n GLY 9 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.35 0.00 -0.51 1.61 -0.04 -1.26 -3.12 135.00 128.32 1mnl n PRO 10 Ca 0.00 0.10 0.42 0.00 -0.04 0.00 0.00 63.50 63.99 1mnl n PRO 10 Cb 0.00 -0.53 0.70 0.00 -0.04 0.00 0.00 33.50 33.63 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 -1.05 0.60 0.49 0.54 3.01 -1.26 0.10 117.46 119.89 1mnl n PHE 11 Ca 0.00 0.60 -0.19 0.00 1.01 0.00 0.00 57.45 58.87 1mnl n PHE 11 Cb 0.00 -1.05 -0.09 0.00 -0.01 0.00 0.00 39.48 38.33 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 0.01 0.00 4.37 1.35 -1.93 0.33 112.91 117.04 1mnl h THR 12 Ca 0.89 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.67 1mnl h THR 12 Cb 3.00 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1mnl h THR 12 CO -0.40 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.26 1mnl h GLN 13 N -1.33 0.00 0.06 4.72 4.15 0.20 -3.03 115.11 119.88 1mnl h GLN 13 Ca -0.13 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1mnl h GLN 13 Cb 0.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1mnl h GLN 13 CO 0.21 0.00 -0.03 -0.91 -1.93 0.00 0.00 178.83 176.17 1mnl h ASN 14 N 0.00 -0.07 -0.88 -0.69 2.35 0.14 -3.11 115.58 113.33 1mnl h ASN 14 Ca 0.00 -0.21 0.17 0.00 -0.55 0.00 0.00 56.30 55.71 1mnl h ASN 14 Cb 0.26 0.02 -0.16 0.00 0.05 0.00 0.00 38.32 38.48 1mnl h ASN 14 CO 0.00 0.51 -0.25 0.25 -1.65 0.00 0.00 177.43 176.30 1mnl h LEU 15 N -1.00 -0.91 -0.04 1.61 7.12 -0.26 0.44 115.31 122.27 1mnl h LEU 15 Ca -0.01 0.27 0.04 0.00 0.13 0.00 0.00 57.88 58.31 1mnl h LEU 15 Cb 0.27 0.57 -0.06 0.00 -0.53 0.00 0.00 40.66 40.92 1mnl h LEU 15 CO 0.01 -0.29 -0.38 1.23 -0.13 0.00 0.00 178.44 178.89 1mnl h GLY 16 N -0.01 -0.64 0.00 3.75 0.00 -1.65 -0.39 103.07 104.13 1mnl h GLY 16 Ca 0.40 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.19 1mnl h GLY 16 CO -0.90 -0.24 0.00 0.28 0.00 0.00 0.00 176.54 175.68 1mnl n LYS 17 N -5.43 0.00 -0.17 4.80 4.01 0.93 -2.90 118.16 119.40 1mnl n LYS 17 Ca -0.05 0.12 -0.05 0.00 -0.51 0.00 0.00 58.31 57.83 1mnl n LYS 17 Cb 0.35 -0.94 -0.04 0.00 -0.51 0.00 0.00 35.03 33.89 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 -0.86 -0.18 0.00 2.13 3.72 0.12 -1.53 117.46 120.85 1mnl n PHE 18 Ca 0.00 0.51 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 1mnl n PHE 18 Cb 0.00 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mnl n ALA 19 N -3.17 -0.04 -0.44 4.37 0.00 -0.16 0.11 120.51 121.18 1mnl n ALA 19 Ca 0.01 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.85 1mnl n ALA 19 Cb 0.11 0.40 0.61 0.00 0.00 0.00 0.00 19.45 20.57 1mnl n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mnl n VAL 20 N -2.52 0.00 0.00 0.00 0.31 -0.58 0.26 118.33 115.80 1mnl n VAL 20 Ca 0.00 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.69 1mnl n VAL 20 Cb 0.00 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 30.58 1mnl n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mnl n ASP 21 N -3.54 0.00 0.02 4.52 2.03 0.30 -2.50 116.55 117.37 1mnl n ASP 21 Ca 0.33 0.17 0.21 0.00 0.52 0.00 0.00 54.79 56.02 1mnl n ASP 21 Cb 1.76 -0.45 0.71 0.00 -0.72 0.00 0.00 41.12 42.42 1mnl n ASP 21 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1mnl h GLU 22 N 0.00 0.00 0.37 -0.67 4.11 0.14 1.97 114.58 120.50 1mnl h GLU 22 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1mnl h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mnl h GLU 22 CO 0.00 0.00 -0.18 1.49 0.07 0.00 0.00 179.01 180.39 1mnl h GLU 23 N 0.00 -0.48 -0.93 1.06 4.81 0.36 0.59 114.58 119.99 1mnl h GLU 23 Ca 0.24 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1mnl h GLU 23 Cb 1.03 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1mnl h GLU 23 CO -0.00 -0.32 0.61 -2.95 -0.73 0.00 0.00 179.01 175.62 1mnl h ASN 24 N -1.12 1.03 -0.10 1.04 7.08 -0.45 0.45 115.58 123.51 1mnl h ASN 24 Ca -0.05 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 1mnl h ASN 24 Cb 0.39 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 36.37 1mnl h ASN 24 CO 0.08 0.73 0.07 0.50 -2.08 0.00 0.00 177.43 176.73 1mnl h LYS 25 N 1.21 0.14 -0.20 4.14 1.63 0.31 -2.41 116.57 121.39 1mnl h LYS 25 Ca 0.36 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.09 1mnl h LYS 25 Cb -0.06 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1mnl h LYS 25 CO -0.10 0.12 -0.10 0.97 -3.45 0.00 0.00 179.45 176.89 1mnl h ILE 26 N 0.12 1.19 0.00 2.00 -0.00 0.11 -3.45 117.51 117.48 1mnl h ILE 26 Ca 0.04 -0.81 0.00 0.00 -0.00 0.00 0.00 64.86 64.09 1mnl h ILE 26 Cb 0.01 1.15 0.00 0.00 -0.00 0.00 0.00 36.82 37.98 1mnl h ILE 26 CO -0.01 0.26 0.00 0.61 -0.00 0.00 0.00 178.15 179.01 1mnl n GLY 27 N -0.85 0.00 2.56 8.18 0.00 0.38 -5.07 105.19 110.39 1mnl n GLY 27 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.37 -0.13 1.61 1.13 0.13 -4.92 117.38 115.57 1mnl n GLN 28 Ca 0.00 -2.62 0.01 0.00 -1.94 0.00 0.00 57.00 52.46 1mnl n GLN 28 Cb 0.00 -1.56 0.06 0.00 0.11 0.00 0.00 30.24 28.85 1mnl n GLN 28 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1mnl n TYR 29 N 2.82 0.30 -0.18 1.08 0.18 -1.26 -1.42 117.16 118.68 1mnl n TYR 29 Ca 0.24 -0.11 0.28 0.00 1.88 0.00 0.00 57.90 60.19 1mnl n TYR 29 Cb 0.52 -0.13 0.54 0.00 -0.38 0.00 0.00 39.34 39.89 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 5.04 0.00 0.00 -7.48 0.00 -1.94 -3.43 103.07 95.27 1mnl h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mnl h GLY 30 CO 0.06 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.47 1mnl n ARG 31 N -3.41 0.00 -5.14 4.80 0.63 -1.26 -4.97 116.66 107.31 1mnl n ARG 31 Ca 0.21 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.83 1mnl n ARG 31 Cb 1.36 -2.36 -0.17 0.00 0.45 0.00 0.00 32.46 31.74 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1mnl s LEU 32 N 0.00 2.04 -0.31 6.15 1.43 -1.26 -4.94 118.68 121.79 1mnl s LEU 32 Ca 0.00 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1mnl s LEU 32 Cb 0.00 -1.34 0.33 0.00 0.03 0.00 0.00 46.19 45.22 1mnl s LEU 32 CO 0.00 0.15 1.35 0.41 0.23 0.00 0.00 176.35 178.48 1mnl n THR 33 N 3.55 0.00 -3.12 5.49 -1.04 -1.26 -4.54 114.28 113.36 1mnl n THR 33 Ca -0.19 -0.97 0.05 0.00 -2.04 0.00 0.00 64.05 60.90 1mnl n THR 33 Cb 0.53 0.91 0.00 0.00 -1.82 0.00 0.00 70.33 69.95 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 0.12 -0.52 0.08 -1.42 -0.71 -1.26 -4.05 117.98 110.22 1mnl s PHE 34 Ca 0.10 0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 1mnl s PHE 34 Cb 0.36 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 1mnl s PHE 34 CO -0.10 -0.31 0.00 -1.71 -1.34 0.00 0.00 175.22 171.77 1mnl n ASN 35 N 5.01 -0.13 0.00 1.98 2.85 -1.26 -4.68 115.26 119.03 1mnl n ASN 35 Ca 0.09 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1mnl n ASN 35 Cb 0.58 0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.80 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 -2.74 0.00 -2.92 1.20 5.02 -1.15 -4.94 118.16 112.63 1mnl n LYS 36 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1mnl n LYS 36 Cb 0.00 -0.05 0.02 0.00 -0.02 0.00 0.00 35.03 34.98 1mnl n LYS 36 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mnl n VAL 37 N 0.00 0.00 -3.71 -0.18 0.31 0.15 -4.96 118.33 109.94 1mnl n VAL 37 Ca 0.00 -0.61 -0.18 0.00 -0.01 0.00 0.00 64.34 63.54 1mnl n VAL 37 Cb 0.00 0.64 -0.17 0.00 -0.91 0.00 0.00 33.84 33.40 1mnl n VAL 37 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1mnl s ILE 38 N -2.35 -0.11 0.20 2.52 -1.16 -1.26 -1.97 121.20 117.07 1mnl s ILE 38 Ca 0.12 0.34 0.00 0.00 -0.51 0.00 0.00 60.65 60.59 1mnl s ILE 38 Cb -0.03 -0.15 0.00 0.00 0.61 0.00 0.00 42.46 42.89 1mnl s ILE 38 CO 0.07 0.14 0.00 0.54 -2.81 0.00 0.00 174.94 172.88 1mnl n ARG 39 N 4.86 0.00 -0.77 3.50 1.74 -1.26 -4.84 116.66 119.89 1mnl n ARG 39 Ca -0.13 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.86 1mnl n ARG 39 Cb 0.50 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mnl n PRO 40 N -3.16 1.50 -3.96 5.56 -0.04 -1.12 -4.86 135.00 128.92 1mnl n PRO 40 Ca 0.00 -0.79 -0.35 0.00 -0.04 0.00 0.00 63.50 62.32 1mnl n PRO 40 Cb 0.00 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.41 1.69 0.20 0.00 -1.94 0.41 -3.16 119.30 116.90 1mnl s MET 42 Ca 0.04 -1.83 0.11 0.00 -1.71 0.00 0.00 55.69 52.29 1mnl s MET 42 Cb -0.12 -1.56 -0.04 0.00 2.01 0.00 0.00 34.83 35.12 1mnl s MET 42 CO 0.00 0.17 -0.18 0.21 -0.01 0.00 0.00 175.02 175.21 1mnl s LYS 43 N -3.61 1.75 -0.30 2.03 2.20 0.56 -0.98 119.74 121.39 1mnl s LYS 43 Ca 0.30 -1.47 -0.09 0.00 -0.36 0.00 0.00 55.97 54.36 1mnl s LYS 43 Cb 0.01 -1.95 0.14 0.00 -1.51 0.00 0.00 37.83 34.51 1mnl s LYS 43 CO 0.14 0.40 0.64 0.15 -0.36 0.00 0.00 175.35 176.32 1mnl s LYS 44 N -2.86 0.57 0.11 4.03 1.02 -0.71 0.25 119.74 122.16 1mnl s LYS 44 Ca 0.24 1.39 0.10 0.00 0.02 0.00 0.00 55.97 57.72 1mnl s LYS 44 Cb -0.08 0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 38.02 1mnl s LYS 44 CO 0.13 -0.26 -0.26 0.99 -0.92 0.00 0.00 175.35 175.02 1mnl s THR 45 N 2.89 2.28 -0.65 2.17 2.01 -0.96 -1.22 115.64 122.16 1mnl s THR 45 Ca -0.02 -1.67 0.01 0.00 0.31 0.00 0.00 61.69 60.32 1mnl s THR 45 Cb -0.12 -1.99 0.39 0.00 0.01 0.00 0.00 72.50 70.79 1mnl s THR 45 CO -0.19 0.15 1.62 0.00 -0.69 0.00 0.00 174.62 175.51 1mnl n ILE 46 N 1.08 3.06 -3.63 1.82 3.06 -1.04 -1.50 119.36 122.21 1mnl n ILE 46 Ca -0.18 -4.47 -0.21 0.00 -2.50 0.00 0.00 62.75 55.39 1mnl n ILE 46 Cb 0.53 -1.24 -0.04 0.00 0.54 0.00 0.00 39.64 39.43 1mnl n ILE 46 CO 0.00 0.00 0.00 -0.72 -2.50 0.00 0.00 176.55 173.33 1mnl s TYR 47 N -3.82 2.72 0.00 9.51 1.13 -1.23 -2.92 117.35 122.74 1mnl s TYR 47 Ca 0.51 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.69 1mnl s TYR 47 Cb 0.43 -2.12 0.00 0.00 -1.10 0.00 0.00 41.96 39.16 1mnl s TYR 47 CO -0.28 -0.07 0.00 -1.91 -2.51 0.00 0.00 175.55 170.78 1mnl n GLU 48 N -1.51 0.00 0.00 -3.49 4.07 -1.20 -4.79 120.64 113.72 1mnl n GLU 48 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 1mnl n GLU 48 Cb 0.62 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.00 1mnl n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1mnl n ASN 49 N 0.00 0.00 -0.10 4.31 4.05 -1.24 -4.96 115.26 117.31 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1mnl n ASN 49 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1mnl n GLU 50 N 0.00 0.00 0.00 1.20 2.13 -1.26 -4.88 120.64 117.83 1mnl n GLU 50 Ca 0.00 -0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.50 1mnl n GLU 50 Cb 0.00 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 31.44 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 2.12 -3.93 5.31 0.63 -1.26 -5.11 116.66 114.42 1mnl n ARG 51 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1mnl n ARG 51 Cb 0.52 -0.94 0.02 0.00 0.45 0.00 0.00 32.46 32.51 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 -1.82 1.14 -0.10 -0.14 -1.05 -1.26 -5.09 118.70 110.38 1mnl s GLU 52 Ca 0.00 -0.74 -0.03 0.00 -0.15 0.00 0.00 54.97 54.05 1mnl s GLU 52 Cb 0.00 0.31 0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1mnl s GLU 52 CO 0.00 -0.53 0.05 -1.50 0.95 0.00 0.00 175.26 174.23 1mnl s ILE 53 N -2.05 0.09 0.00 1.83 1.10 -1.26 -3.27 121.20 117.64 1mnl s ILE 53 Ca 0.25 0.08 0.00 0.00 -0.51 0.00 0.00 60.65 60.46 1mnl s ILE 53 Cb -0.02 -0.46 0.00 0.00 0.15 0.00 0.00 42.46 42.12 1mnl s ILE 53 CO 0.04 0.03 0.00 0.29 -2.11 0.00 0.00 174.94 173.19 1mnl n LYS 54 N 5.23 0.00 -3.21 3.50 5.02 -1.26 0.25 118.16 127.69 1mnl n LYS 54 Ca -0.06 0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 1mnl n LYS 54 Cb 0.49 -0.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.93 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 1.77 2.36 3.15 0.72 0.00 -1.15 0.19 105.19 112.23 1mnl n GLY 55 Ca 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.62 -1.47 0.43 1.61 5.04 0.32 -2.48 117.35 117.18 1mnl s TYR 56 Ca 0.19 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.24 1mnl s TYR 56 Cb -0.01 0.45 -0.03 0.00 0.35 0.00 0.00 41.96 42.73 1mnl s TYR 56 CO 0.14 -0.82 0.09 -1.83 -1.34 0.00 0.00 175.55 171.79 1mnl s GLU 57 N 2.87 1.98 0.26 4.97 4.04 -0.35 -1.17 118.70 131.30 1mnl s GLU 57 Ca 0.16 -2.22 -0.21 0.00 0.04 0.00 0.00 54.97 52.74 1mnl s GLU 57 Cb -0.13 -0.91 0.04 0.00 0.02 0.00 0.00 34.13 33.15 1mnl s GLU 57 CO -0.21 -0.41 0.80 1.52 -1.84 0.00 0.00 175.26 175.12 1mnl s TYR 58 N -3.11 -0.11 -0.08 4.83 1.13 -0.47 -1.74 117.35 117.80 1mnl s TYR 58 Ca 0.20 -0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.52 1mnl s TYR 58 Cb 0.03 0.72 0.02 0.00 -1.10 0.00 0.00 41.96 41.62 1mnl s TYR 58 CO 0.12 -1.18 -0.08 -0.65 -2.51 0.00 0.00 175.55 171.24 1mnl s GLN 59 N -3.42 1.44 -0.66 -3.49 -0.21 -0.15 -2.89 119.66 110.28 1mnl s GLN 59 Ca 0.13 -0.27 0.06 0.00 0.02 0.00 0.00 55.36 55.29 1mnl s GLN 59 Cb -0.05 -1.37 0.21 0.00 1.00 0.00 0.00 33.01 32.80 1mnl s GLN 59 CO 0.07 -0.13 0.61 -0.11 -2.12 0.00 0.00 175.29 173.61 1mnl n LEU 60 N 4.39 3.14 -4.61 2.90 7.94 -1.10 0.15 117.00 129.82 1mnl n LEU 60 Ca -0.18 -5.27 -0.43 0.00 -1.11 0.00 0.00 56.01 49.02 1mnl n LEU 60 Cb 0.51 -0.62 -0.02 0.00 0.53 0.00 0.00 43.42 43.82 1mnl n LEU 60 CO 0.21 1.91 1.26 -0.47 -1.11 0.00 0.00 177.39 179.19 1mnl s TYR 61 N -1.87 2.36 0.00 1.96 6.14 -1.07 -1.97 117.35 122.91 1mnl s TYR 61 Ca 0.32 0.69 0.00 0.00 0.64 0.00 0.00 57.07 58.72 1mnl s TYR 61 Cb 0.06 -4.22 0.00 0.00 0.42 0.00 0.00 41.96 38.22 1mnl s TYR 61 CO -0.10 -2.10 0.00 1.33 0.64 0.00 0.00 175.55 175.33 1mnl n VAL 62 N 6.95 0.00 -3.84 3.14 0.24 0.92 -2.81 118.33 122.92 1mnl n VAL 62 Ca 0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.33 1mnl n VAL 62 Cb 0.47 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 -1.81 0.05 0.00 6.34 6.14 -0.83 -1.64 117.35 125.61 1mnl s TYR 63 Ca 0.00 0.05 0.00 0.00 0.64 0.00 0.00 57.07 57.76 1mnl s TYR 63 Cb 0.00 -0.15 0.00 0.00 0.42 0.00 0.00 41.96 42.23 1mnl s TYR 63 CO 0.00 -0.05 0.00 0.00 0.64 0.00 0.00 175.55 176.14 1mnl n ALA 64 N 3.65 0.00 -0.09 3.97 0.00 -0.83 -0.67 120.51 126.53 1mnl n ALA 64 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 1mnl n ALA 64 Cb 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1mnl n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mnl n SER 65 N 0.00 1.41 0.00 0.00 7.64 -1.26 -2.91 113.62 118.49 1mnl n SER 65 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1mnl n SER 65 Cb 0.00 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1mnl n SER 65 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1mnl n ASP 66 N -2.84 0.40 -4.13 6.43 5.75 -1.26 -4.99 116.55 115.90 1mnl n ASP 66 Ca -0.32 -1.03 -0.35 0.00 -0.01 0.00 0.00 54.79 53.07 1mnl n ASP 66 Cb 1.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.96 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1mnl s LYS 67 N -0.03 2.13 -1.05 0.11 2.36 -1.26 -5.01 119.74 116.99 1mnl s LYS 67 Ca 0.00 -1.60 -0.03 0.00 -2.55 0.00 0.00 55.97 51.80 1mnl s LYS 67 Cb 0.00 -3.39 0.31 0.00 -1.05 0.00 0.00 37.83 33.71 1mnl s LYS 67 CO 0.00 -0.87 1.58 1.28 1.55 0.00 0.00 175.35 178.89 1mnl n LEU 68 N 4.57 6.68 0.00 5.43 4.77 -1.26 -1.97 117.00 135.22 1mnl n LEU 68 Ca -0.06 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.64 1mnl n LEU 68 Cb 0.42 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1mnl n LEU 68 CO 0.29 1.83 0.00 2.22 -1.33 0.00 0.00 177.39 180.40 1mnl n PHE 69 N 0.83 0.00 -4.53 -1.77 1.16 -0.65 -3.04 117.46 109.46 1mnl n PHE 69 Ca 0.33 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.63 1mnl n PHE 69 Cb 0.31 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.04 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 1.45 -0.33 3.97 3.52 -0.65 0.31 118.95 127.22 1mnl s ARG 70 Ca 0.00 -1.22 -0.02 0.00 -0.13 0.00 0.00 55.73 54.36 1mnl s ARG 70 Cb 0.00 -1.80 0.06 0.00 -1.56 0.00 0.00 34.95 31.65 1mnl s ARG 70 CO 0.00 0.44 0.06 0.00 -0.81 0.00 0.00 175.30 174.99 1mnl s ALA 71 N -0.99 2.92 0.57 6.12 0.00 -0.83 -2.53 121.76 127.02 1mnl s ALA 71 Ca 0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 1mnl s ALA 71 Cb -0.10 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1mnl s ALA 71 CO 0.04 -1.41 0.85 0.34 0.00 0.00 0.00 175.76 175.58 1mnl s ASP 72 N 1.39 5.52 -0.30 0.00 -1.08 -0.03 -2.69 116.67 119.47 1mnl s ASP 72 Ca -0.01 0.50 -0.08 0.00 -0.52 0.00 0.00 52.55 52.44 1mnl s ASP 72 Cb -0.20 -1.50 0.18 0.00 -1.46 0.00 0.00 42.92 39.93 1mnl s ASP 72 CO -0.01 -1.05 0.79 -0.51 0.52 0.00 0.00 175.17 174.90 1mnl s ILE 73 N -2.89 -0.74 0.30 4.11 1.10 -0.88 -2.64 121.20 119.55 1mnl s ILE 73 Ca 0.54 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.76 1mnl s ILE 73 Cb -0.10 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.47 1mnl s ILE 73 CO 0.43 0.00 0.17 -0.94 -2.11 0.00 0.00 174.94 172.48 1mnl s SER 74 N 2.84 5.06 -0.30 4.50 1.04 0.58 -1.36 113.70 126.06 1mnl s SER 74 Ca 0.08 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 1mnl s SER 74 Cb -0.12 -1.02 0.17 0.00 0.10 0.00 0.00 66.02 65.15 1mnl s SER 74 CO -0.17 -0.17 0.98 -1.61 0.98 0.00 0.00 173.24 173.25 1mnl s GLU 75 N -3.85 0.29 0.00 4.02 2.02 0.22 -2.77 118.70 118.63 1mnl s GLU 75 Ca 0.36 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1mnl s GLU 75 Cb -0.06 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1mnl s GLU 75 CO 0.24 -0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.90 1mnl n ASP 76 N 5.08 0.00 0.15 -0.19 -0.08 -0.88 0.12 116.55 120.76 1mnl n ASP 76 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1mnl n ASP 76 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1mnl n ASP 76 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1mnl n TYR 77 N -0.22 -3.93 -0.17 -0.67 4.01 0.49 -3.93 117.16 112.75 1mnl n TYR 77 Ca 0.00 1.04 -0.02 0.00 -0.16 0.00 0.00 57.90 58.76 1mnl n TYR 77 Cb 0.00 2.76 0.08 0.00 -0.31 0.00 0.00 39.34 41.87 1mnl n TYR 77 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1mnl h LYS 78 N 0.00 0.32 -0.00 -0.72 1.63 0.36 -2.36 116.57 115.80 1mnl h LYS 78 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1mnl h LYS 78 Cb 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1mnl h LYS 78 CO 0.00 0.21 -0.53 0.25 -3.45 0.00 0.00 179.45 175.93 1mnl n THR 79 N -5.04 0.00 -2.64 1.00 -2.24 -1.26 -4.98 114.28 99.12 1mnl n THR 79 Ca 0.06 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 1mnl n THR 79 Cb 0.24 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.97 -2.72 -3.74 -0.78 3.00 -0.89 -4.92 116.66 105.64 1mnl n ARG 80 Ca 0.04 0.81 -0.28 0.00 -0.01 0.00 0.00 57.85 58.41 1mnl n ARG 80 Cb 0.24 -5.51 -0.11 0.00 0.00 0.00 0.00 32.46 27.07 1mnl n ARG 80 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1mnl s GLY 81 N -2.25 2.36 -0.41 -0.13 0.00 -1.26 -4.58 107.32 101.05 1mnl s GLY 81 Ca 0.11 -3.37 -0.01 0.00 0.00 0.00 0.00 44.72 41.45 1mnl s GLY 81 CO 0.13 1.41 0.98 0.54 0.00 0.00 0.00 173.10 176.16 1mnl n ARG 82 N 2.31 0.28 -3.93 2.90 1.74 -1.26 -4.59 116.66 114.10 1mnl n ARG 82 Ca 0.22 -1.25 -0.33 0.00 -0.77 0.00 0.00 57.85 55.73 1mnl n ARG 82 Cb 0.39 -0.51 -0.05 0.00 -1.02 0.00 0.00 32.46 31.27 1mnl n ARG 82 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1mnl s LYS 83 N 0.87 3.38 -0.30 5.56 2.20 -1.25 0.71 119.74 130.91 1mnl s LYS 83 Ca 0.26 -0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.34 1mnl s LYS 83 Cb 0.10 -3.05 0.16 0.00 -1.51 0.00 0.00 37.83 33.53 1mnl s LYS 83 CO -0.09 0.66 1.01 -1.17 -0.36 0.00 0.00 175.35 175.39 1mnl s LEU 84 N -2.05 -0.52 0.33 5.43 2.96 -1.12 -4.77 118.68 118.94 1mnl s LEU 84 Ca 0.28 0.74 0.06 0.00 -0.22 0.00 0.00 54.13 54.99 1mnl s LEU 84 Cb -0.13 1.64 -0.06 0.00 0.50 0.00 0.00 46.19 48.14 1mnl s LEU 84 CO 0.20 -0.11 -0.00 -1.48 -1.32 0.00 0.00 176.35 173.64 1mnl s LEU 85 N 2.04 2.46 -0.27 -0.68 2.34 -1.26 0.22 118.68 123.53 1mnl s LEU 85 Ca -0.05 -1.30 -0.09 0.00 0.06 0.00 0.00 54.13 52.76 1mnl s LEU 85 Cb -0.05 -0.61 0.12 0.00 -0.56 0.00 0.00 46.19 45.09 1mnl s LEU 85 CO -0.16 -0.46 0.58 -0.13 -1.06 0.00 0.00 176.35 175.12 1mnl s ARG 86 N -3.78 0.51 -0.92 1.48 0.52 -1.08 -4.73 118.95 110.94 1mnl s ARG 86 Ca 0.33 1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 56.85 1mnl s ARG 86 Cb 0.07 0.70 0.28 0.00 0.52 0.00 0.00 34.95 36.52 1mnl s ARG 86 CO 0.15 -0.24 1.18 1.19 0.02 0.00 0.00 175.30 177.59 1mnl n PHE 87 N 5.43 2.96 -2.50 -0.53 3.72 -1.24 -0.85 117.46 124.46 1mnl n PHE 87 Ca -0.10 -3.26 0.00 0.00 -0.05 0.00 0.00 57.45 54.04 1mnl n PHE 87 Cb 0.49 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 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 1.28 0.00 -1.51 4.37 3.02 -1.05 -4.91 115.26 116.46 1mnl n ASN 88 Ca 0.27 -0.18 -0.03 0.00 -0.03 0.00 0.00 54.58 54.61 1mnl n ASN 88 Cb 0.36 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.35 3.69 7.41 0.00 -1.26 -1.64 105.19 113.73 1mnl n GLY 89 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1mnl n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mnl s PRO 90 N -4.04 1.37 0.00 1.61 0.04 -1.26 -4.32 135.00 128.40 1mnl s PRO 90 Ca 0.02 1.62 0.18 0.00 0.04 0.00 0.00 61.00 62.85 1mnl s PRO 90 Cb -0.00 -1.76 1.07 0.00 0.04 0.00 0.00 34.50 33.85 1mnl s PRO 90 CO 0.13 -2.39 1.47 0.28 0.04 0.00 0.00 177.00 176.53