#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 0.37 0.77 1.61 2.02 0.13 -4.94 118.70 118.66 1mnl s GLU 2 Ca 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.92 1mnl s GLU 2 Cb 0.00 -0.52 0.06 0.00 0.10 0.00 0.00 34.13 33.76 1mnl s GLU 2 CO 0.00 -0.12 1.15 1.67 0.02 0.00 0.00 175.26 177.97 1mnl s TRP 3 N 0.99 3.09 0.00 1.61 -2.14 -1.26 -1.83 118.94 119.39 1mnl s TRP 3 Ca -0.10 0.86 0.00 0.00 2.66 0.00 0.00 56.10 59.52 1mnl s TRP 3 Cb -0.14 -3.34 0.00 0.00 -3.10 0.00 0.00 33.47 26.89 1mnl s TRP 3 CO -0.01 -1.56 0.00 -1.91 -2.66 0.00 0.00 176.95 170.81 1mnl n GLU 4 N -3.20 0.00 -1.38 3.25 2.13 0.25 -4.88 120.64 116.81 1mnl n GLU 4 Ca 0.08 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.69 1mnl n GLU 4 Cb 0.60 0.00 0.15 0.00 0.27 0.00 0.00 31.44 32.45 1mnl n GLU 4 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1mnl n ILE 5 N 0.00 0.00 -3.05 6.31 -5.35 -1.26 -1.58 119.36 114.44 1mnl n ILE 5 Ca 0.00 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 1mnl n ILE 5 Cb 0.00 -1.63 0.00 0.00 -1.74 0.00 0.00 39.64 36.27 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 -3.29 0.00 -3.09 7.28 -0.00 -1.17 -4.73 119.36 114.36 1mnl n ILE 6 Ca 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.70 1mnl n ILE 6 Cb 0.41 -0.39 -0.01 0.00 -0.00 0.00 0.00 39.64 39.65 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1mnl n ASP 7 N -0.78 0.03 -4.40 7.28 -0.08 -1.26 -4.96 116.55 112.38 1mnl n ASP 7 Ca 0.00 -3.10 -0.36 0.00 -1.51 0.00 0.00 54.79 49.82 1mnl n ASP 7 Cb 0.00 -0.07 -0.09 0.00 2.34 0.00 0.00 41.12 43.30 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 0.50 -0.67 0.07 5.18 3.06 -1.26 -4.70 119.36 121.54 1mnl n ILE 8 Ca 0.20 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1mnl n ILE 8 Cb 0.65 -0.88 0.00 0.00 0.54 0.00 0.00 39.64 39.95 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 -1.91 -0.24 0.00 4.50 0.00 -1.26 -4.88 105.19 101.40 1mnl n GLY 9 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.98 0.00 -0.47 1.61 -0.04 -1.26 -3.20 135.00 128.66 1mnl n PRO 10 Ca 0.00 0.35 0.40 0.00 -0.04 0.00 0.00 63.50 64.21 1mnl n PRO 10 Cb 0.00 -0.84 0.72 0.00 -0.04 0.00 0.00 33.50 33.35 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 0.19 0.57 0.54 -1.00 -1.95 1.53 116.94 116.82 1mnl h PHE 11 Ca 0.00 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1mnl h PHE 11 Cb 0.00 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 1mnl h PHE 11 CO 0.00 -0.04 -0.39 1.79 -1.61 0.00 0.00 178.31 178.06 1mnl h THR 12 N 0.06 0.20 0.00 -1.55 1.35 -1.90 1.69 112.91 112.76 1mnl h THR 12 Ca 0.74 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.60 1mnl h THR 12 Cb 2.70 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1mnl h THR 12 CO -0.13 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.53 1mnl h GLN 13 N -0.93 0.00 0.03 4.72 4.15 0.45 -3.14 115.11 120.39 1mnl h GLN 13 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1mnl h GLN 13 Cb 0.77 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1mnl h GLN 13 CO 0.04 0.00 -0.01 -0.97 -1.93 0.00 0.00 178.83 175.96 1mnl h ASN 14 N 0.00 -0.03 -0.83 -0.69 -0.73 0.30 -3.09 115.58 110.50 1mnl h ASN 14 Ca 0.00 -0.13 0.12 0.00 1.87 0.00 0.00 56.30 58.16 1mnl h ASN 14 Cb 0.57 0.01 -0.13 0.00 0.27 0.00 0.00 38.32 39.04 1mnl h ASN 14 CO 0.00 0.53 -0.44 0.25 -0.37 0.00 0.00 177.43 177.40 1mnl h LEU 15 N -1.01 -1.59 -0.16 0.34 5.85 0.24 0.73 115.31 119.72 1mnl h LEU 15 Ca -0.00 0.29 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1mnl h LEU 15 Cb 0.16 0.76 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1mnl h LEU 15 CO 0.01 -0.29 -0.44 1.23 -0.34 0.00 0.00 178.44 178.60 1mnl h GLY 16 N -0.09 -0.74 0.00 3.75 0.00 -1.66 -0.39 103.07 103.93 1mnl h GLY 16 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1mnl h GLY 16 CO -0.86 -0.22 0.00 0.28 0.00 0.00 0.00 176.54 175.74 1mnl n LYS 17 N -5.43 0.00 0.00 4.80 4.01 0.20 -2.51 118.16 119.22 1mnl n LYS 17 Ca -0.04 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1mnl n LYS 17 Cb 0.36 -0.93 0.00 0.00 -0.51 0.00 0.00 35.03 33.95 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 -0.94 0.00 -0.03 2.13 3.01 0.23 -0.89 117.46 120.97 1mnl n PHE 18 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1mnl n PHE 18 Cb 0.00 -0.33 -0.01 0.00 -0.01 0.00 0.00 39.48 39.13 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mnl h ALA 19 N -1.12 -0.11 -1.40 4.37 0.00 -1.15 1.73 119.26 121.58 1mnl h ALA 19 Ca 0.00 0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.32 1mnl h ALA 19 Cb 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1mnl h ALA 19 CO 0.00 -0.14 1.19 0.28 0.00 0.00 0.00 179.25 180.58 1mnl h VAL 20 N -0.01 0.09 0.00 0.00 2.07 -1.13 1.86 116.25 119.14 1mnl h VAL 20 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1mnl h VAL 20 Cb 0.04 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1mnl h VAL 20 CO -0.07 0.00 -0.50 0.47 0.02 0.00 0.00 177.57 177.49 1mnl n ASP 21 N -3.71 1.38 0.15 0.57 9.92 0.36 -2.56 116.55 122.66 1mnl n ASP 21 Ca 0.31 0.44 0.05 0.00 -0.53 0.00 0.00 54.79 55.06 1mnl n ASP 21 Cb 1.62 -0.74 0.49 0.00 -0.64 0.00 0.00 41.12 41.85 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1mnl h GLU 22 N -0.75 0.20 0.22 -1.24 5.08 0.27 1.66 114.58 120.03 1mnl h GLU 22 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1mnl h GLU 22 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1mnl h GLU 22 CO 0.00 0.23 -0.11 1.49 -1.00 0.00 0.00 179.01 179.62 1mnl h GLU 23 N 0.20 -0.29 -0.57 2.33 4.57 0.28 1.08 114.58 122.18 1mnl h GLU 23 Ca 0.05 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1mnl h GLU 23 Cb 0.16 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 1mnl h GLU 23 CO 0.00 -0.16 0.16 -0.97 -1.18 0.00 0.00 179.01 176.86 1mnl h ASN 24 N -1.07 0.10 -0.22 1.04 -0.73 -1.34 0.25 115.58 113.61 1mnl h ASN 24 Ca -0.03 0.09 0.02 0.00 1.87 0.00 0.00 56.30 58.25 1mnl h ASN 24 Cb 0.26 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 1mnl h ASN 24 CO 0.05 0.07 0.08 0.50 -0.37 0.00 0.00 177.43 177.75 1mnl h LYS 25 N 0.31 0.17 -0.76 6.67 3.64 0.24 0.32 116.57 127.17 1mnl h LYS 25 Ca 0.29 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.88 1mnl h LYS 25 Cb 0.39 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1mnl h LYS 25 CO -0.34 0.12 0.74 0.82 -2.27 0.00 0.00 179.45 178.52 1mnl h ILE 26 N 0.18 0.28 0.00 2.00 1.08 0.45 -3.42 117.51 118.07 1mnl h ILE 26 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1mnl h ILE 26 Cb 0.06 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1mnl h ILE 26 CO -0.10 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.97 1mnl n GLY 27 N -1.61 1.96 2.36 5.37 0.00 0.11 -5.05 105.19 108.32 1mnl n GLY 27 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1mnl n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mnl n GLN 28 N 0.00 1.80 -0.54 1.61 -0.06 -0.20 -4.89 117.38 115.11 1mnl n GLN 28 Ca 0.00 -4.06 -0.02 0.00 -2.00 0.00 0.00 57.00 50.92 1mnl n GLN 28 Cb 0.00 -1.82 0.17 0.00 -4.06 0.00 0.00 30.24 24.53 1mnl n GLN 28 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 1mnl n TYR 29 N 0.93 1.29 -0.38 3.69 0.18 -1.26 -3.33 117.16 118.28 1mnl n TYR 29 Ca 0.26 -0.68 -0.04 0.00 1.88 0.00 0.00 57.90 59.32 1mnl n TYR 29 Cb 0.47 -0.43 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 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 3.75 -0.19 0.00 -7.48 0.00 -1.96 -3.45 103.07 93.74 1mnl h GLY 30 Ca 0.12 0.59 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1mnl h GLY 30 CO 0.38 -0.14 0.00 0.54 0.00 0.00 0.00 176.54 177.32 1mnl n ARG 31 N -5.41 0.00 -4.02 4.80 1.74 -1.26 -5.17 116.66 107.34 1mnl n ARG 31 Ca 0.08 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.95 1mnl n ARG 31 Cb 0.36 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.74 1mnl n ARG 31 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1mnl n LEU 32 N -0.07 0.00 -2.70 0.55 4.32 -1.26 -5.06 117.00 112.78 1mnl n LEU 32 Ca 0.00 -2.68 -0.09 0.00 -0.02 0.00 0.00 56.01 53.22 1mnl n LEU 32 Cb 0.00 1.04 0.05 0.00 -1.62 0.00 0.00 43.42 42.89 1mnl n LEU 32 CO 0.00 -0.42 0.03 0.35 -1.22 0.00 0.00 177.39 176.12 1mnl n THR 33 N -0.72 0.69 -2.65 -5.08 -2.24 -1.26 -4.49 114.28 98.53 1mnl n THR 33 Ca -0.02 -2.75 -0.04 0.00 -2.27 0.00 0.00 64.05 58.98 1mnl n THR 33 Cb 0.52 0.71 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.16 -0.02 0.00 4.78 7.35 -1.26 -3.93 117.46 124.22 1mnl n PHE 34 Ca 0.07 -0.51 0.00 0.00 -0.76 0.00 0.00 57.45 56.25 1mnl n PHE 34 Cb 0.82 1.00 0.00 0.00 0.35 0.00 0.00 39.48 41.65 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 1.90 1.46 0.00 -2.13 5.15 -1.26 -4.87 115.26 115.51 1mnl n ASN 35 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1mnl n ASN 35 Cb 0.70 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 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 -2.71 0.00 -3.87 1.20 4.76 -1.13 -4.96 118.16 111.45 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 0.44 -0.14 -0.02 0.00 -1.84 0.00 0.00 35.03 33.48 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 -0.44 -0.18 1.01 0.61 -4.97 120.40 116.43 1mnl s VAL 37 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1mnl s VAL 37 Cb 0.00 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.29 1mnl s VAL 37 CO 0.00 0.00 0.30 -0.51 0.00 0.00 0.00 175.10 174.89 1mnl s ILE 38 N -3.55 0.93 -0.19 2.22 2.07 -1.26 -1.89 121.20 119.52 1mnl s ILE 38 Ca 0.14 -2.61 -0.13 0.00 -1.41 0.00 0.00 60.65 56.64 1mnl s ILE 38 Cb -0.05 -1.65 -0.08 0.00 0.13 0.00 0.00 42.46 40.82 1mnl s ILE 38 CO 0.09 -1.05 -0.30 -1.14 -1.91 0.00 0.00 174.94 170.63 1mnl n ARG 39 N 3.22 0.47 -1.24 3.50 0.63 -1.26 -4.58 116.66 117.40 1mnl n ARG 39 Ca 0.18 0.20 -0.22 0.00 -0.92 0.00 0.00 57.85 57.09 1mnl n ARG 39 Cb 0.40 -1.31 -0.11 0.00 0.45 0.00 0.00 32.46 31.89 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1mnl n PRO 40 N -4.16 2.54 -3.62 -0.14 -0.04 -1.17 -4.86 135.00 123.55 1mnl n PRO 40 Ca -0.32 -1.70 -0.40 0.00 -0.04 0.00 0.00 63.50 61.05 1mnl n PRO 40 Cb 0.66 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.81 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 1.59 2.23 0.13 0.00 -1.94 0.15 -3.04 119.30 118.43 1mnl s MET 42 Ca 0.04 -2.11 -0.19 0.00 -1.71 0.00 0.00 55.69 51.71 1mnl s MET 42 Cb -0.18 -1.89 0.05 0.00 2.01 0.00 0.00 34.83 34.82 1mnl s MET 42 CO 0.07 -0.44 0.49 0.21 -0.01 0.00 0.00 175.02 175.33 1mnl s LYS 43 N -4.08 1.14 -0.21 2.03 2.36 -0.61 -2.32 119.74 118.05 1mnl s LYS 43 Ca 0.26 -0.56 -0.11 0.00 -2.55 0.00 0.00 55.97 53.01 1mnl s LYS 43 Cb 0.00 0.51 0.07 0.00 -1.05 0.00 0.00 37.83 37.36 1mnl s LYS 43 CO 0.15 -0.46 0.49 0.21 1.55 0.00 0.00 175.35 177.30 1mnl s LYS 44 N -3.61 0.48 0.11 4.03 2.20 -0.97 0.87 119.74 122.85 1mnl s LYS 44 Ca 0.01 0.96 0.10 0.00 -0.36 0.00 0.00 55.97 56.68 1mnl s LYS 44 Cb 0.01 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 1mnl s LYS 44 CO -0.11 -0.17 -0.24 0.99 -0.36 0.00 0.00 175.35 175.47 1mnl s THR 45 N 1.65 2.46 -0.43 3.43 2.01 -0.76 -2.68 115.64 121.32 1mnl s THR 45 Ca -0.09 -1.59 0.04 0.00 0.31 0.00 0.00 61.69 60.37 1mnl s THR 45 Cb -0.08 -2.08 0.44 0.00 0.01 0.00 0.00 72.50 70.79 1mnl s THR 45 CO -0.15 0.15 1.36 0.00 -0.69 0.00 0.00 174.62 175.29 1mnl n ILE 46 N 1.05 2.73 -1.70 1.82 0.13 -1.06 0.21 119.36 122.54 1mnl n ILE 46 Ca -0.17 -4.22 -0.20 0.00 -1.10 0.00 0.00 62.75 57.06 1mnl n ILE 46 Cb 0.53 -1.18 0.14 0.00 -0.84 0.00 0.00 39.64 38.28 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 -0.67 -3.93 0.00 9.51 4.11 -1.18 -2.57 117.16 122.43 1mnl n TYR 47 Ca 0.46 -0.85 0.00 0.00 -0.00 0.00 0.00 57.90 57.51 1mnl n TYR 47 Cb 0.79 -0.70 0.00 0.00 -0.00 0.00 0.00 39.34 39.43 1mnl n TYR 47 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1mnl n GLU 48 N -2.92 0.00 0.09 -3.48 4.07 -1.24 -4.65 120.64 112.53 1mnl n GLU 48 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1mnl n GLU 48 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 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 -1.70 -0.11 4.31 5.15 -1.25 -4.98 115.26 116.69 1mnl n ASN 49 Ca 0.00 0.67 0.00 0.00 -0.60 0.00 0.00 54.58 54.65 1mnl n ASN 49 Cb 0.00 1.87 0.00 0.00 -0.53 0.00 0.00 39.78 41.12 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 -3.18 0.00 0.00 1.20 2.13 -1.26 -4.86 120.64 114.66 1mnl n GLU 50 Ca 0.00 -0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.42 1mnl n GLU 50 Cb 0.00 -0.33 0.00 0.00 0.27 0.00 0.00 31.44 31.38 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 1.49 -0.58 5.31 0.63 -1.26 -5.12 116.66 117.14 1mnl n ARG 51 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1mnl n ARG 51 Cb 0.53 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.51 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1mnl n GLU 52 N -1.43 0.00 -4.23 -0.14 0.28 -1.26 -5.11 120.64 108.75 1mnl n GLU 52 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1mnl n GLU 52 Cb 0.11 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.88 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 -2.49 1.14 0.14 3.84 1.10 -1.26 -3.59 121.20 120.07 1mnl s ILE 53 Ca 0.00 -1.89 0.00 0.00 -0.51 0.00 0.00 60.65 58.25 1mnl s ILE 53 Cb 0.00 -1.66 0.00 0.00 0.15 0.00 0.00 42.46 40.95 1mnl s ILE 53 CO 0.00 -0.64 0.00 1.17 -2.11 0.00 0.00 174.94 173.36 1mnl n LYS 54 N 0.14 0.00 -4.25 3.50 4.81 -1.26 -3.55 118.16 117.54 1mnl n LYS 54 Ca -0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.17 1mnl n LYS 54 Cb 0.59 -0.05 -0.10 0.00 0.02 0.00 0.00 35.03 35.49 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 -4.36 1.24 -0.37 3.14 0.00 -1.06 0.26 107.32 106.17 1mnl s GLY 55 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 44.72 43.18 1mnl s GLY 55 CO 0.00 -1.55 0.55 -0.47 0.00 0.00 0.00 173.10 171.63 1mnl s TYR 56 N -3.61 -1.40 0.37 1.90 6.14 0.52 -2.56 117.35 118.70 1mnl s TYR 56 Ca 0.24 0.18 0.04 0.00 0.64 0.00 0.00 57.07 58.17 1mnl s TYR 56 Cb 0.06 0.13 -0.06 0.00 0.42 0.00 0.00 41.96 42.51 1mnl s TYR 56 CO 0.04 -1.10 0.06 -1.83 0.64 0.00 0.00 175.55 173.35 1mnl s GLU 57 N 1.99 1.78 0.17 4.97 -1.05 -1.09 -2.23 118.70 123.24 1mnl s GLU 57 Ca 0.15 -2.02 -0.24 0.00 -0.15 0.00 0.00 54.97 52.70 1mnl s GLU 57 Cb -0.08 -1.00 0.06 0.00 -0.44 0.00 0.00 34.13 32.66 1mnl s GLU 57 CO -0.12 -0.22 0.79 1.52 0.95 0.00 0.00 175.26 178.18 1mnl s TYR 58 N -3.16 -0.28 -0.28 4.83 -0.85 0.13 -2.28 117.35 115.46 1mnl s TYR 58 Ca 0.32 -0.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.88 1mnl s TYR 58 Cb 0.07 0.63 0.07 0.00 0.38 0.00 0.00 41.96 43.11 1mnl s TYR 58 CO 0.15 -0.92 -0.07 -0.65 -1.52 0.00 0.00 175.55 172.54 1mnl s GLN 59 N -3.57 2.06 -0.97 -3.49 -0.21 -0.98 -1.82 119.66 110.68 1mnl s GLN 59 Ca 0.08 -1.48 -0.03 0.00 0.02 0.00 0.00 55.36 53.96 1mnl s GLN 59 Cb -0.03 -2.98 0.28 0.00 1.00 0.00 0.00 33.01 31.28 1mnl s GLN 59 CO -0.02 -0.66 1.15 -0.11 -2.12 0.00 0.00 175.29 173.53 1mnl n LEU 60 N 4.39 5.36 -4.61 2.90 7.94 -1.17 0.34 117.00 132.14 1mnl n LEU 60 Ca -0.10 -5.21 -0.43 0.00 -1.11 0.00 0.00 56.01 49.16 1mnl n LEU 60 Cb 0.42 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 43.18 1mnl n LEU 60 CO 0.21 1.68 1.42 -0.47 -1.11 0.00 0.00 177.39 179.12 1mnl s TYR 61 N -2.21 2.02 0.00 1.96 5.04 -0.58 -2.12 117.35 121.45 1mnl s TYR 61 Ca 0.32 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 1mnl s TYR 61 Cb 0.02 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.25 1mnl s TYR 61 CO 0.01 -2.84 0.00 1.33 -1.34 0.00 0.00 175.55 172.71 1mnl n VAL 62 N 6.90 0.00 -3.71 3.14 0.24 0.72 -2.84 118.33 122.77 1mnl n VAL 62 Ca 0.20 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.39 1mnl n VAL 62 Cb 0.46 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.59 -0.48 0.00 6.34 5.04 -0.79 -2.05 117.35 123.81 1mnl s TYR 63 Ca 0.00 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1mnl s TYR 63 Cb 0.00 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.47 1mnl s TYR 63 CO 0.00 -0.30 0.00 0.00 -1.34 0.00 0.00 175.55 173.91 1mnl n ALA 64 N 4.31 0.00 -0.05 3.97 0.00 -1.17 -0.28 120.51 127.28 1mnl n ALA 64 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1mnl n ALA 64 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 1mnl n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mnl n SER 65 N 0.00 0.54 -0.31 0.00 2.88 -1.26 -2.83 113.62 112.64 1mnl n SER 65 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1mnl n SER 65 Cb 0.00 1.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1mnl n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1mnl n ASP 66 N -2.43 0.00 -3.97 -3.46 2.03 -1.26 -4.99 116.55 102.46 1mnl n ASP 66 Ca -0.17 -1.35 -0.33 0.00 0.52 0.00 0.00 54.79 53.46 1mnl n ASP 66 Cb 0.81 -0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 41.06 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1mnl n LYS 67 N 0.00 2.47 -1.85 -0.67 4.81 -1.26 -4.95 118.16 116.71 1mnl n LYS 67 Ca 0.00 -4.51 -0.40 0.00 -0.87 0.00 0.00 58.31 52.53 1mnl n LYS 67 Cb 0.57 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 33.25 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 2.00 7.84 0.00 3.14 4.77 -1.26 -3.06 117.00 130.43 1mnl n LEU 68 Ca 0.22 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.59 1mnl n LEU 68 Cb 0.37 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1mnl n LEU 68 CO 0.35 1.82 0.00 2.22 -1.33 0.00 0.00 177.39 180.46 1mnl n PHE 69 N 3.15 0.00 -4.22 -1.77 1.16 -0.87 -4.30 117.46 110.60 1mnl n PHE 69 Ca 0.61 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 56.02 1mnl n PHE 69 Cb 0.28 0.00 -0.13 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 0.66 -0.84 3.97 3.00 0.21 0.26 118.95 126.20 1mnl s ARG 70 Ca 0.00 -0.55 -0.18 0.00 -1.00 0.00 0.00 55.73 54.00 1mnl s ARG 70 Cb 0.00 -0.58 0.14 0.00 0.00 0.00 0.00 34.95 34.50 1mnl s ARG 70 CO 0.00 0.14 0.99 0.00 0.00 0.00 0.00 175.30 176.43 1mnl s ALA 71 N -0.72 3.49 -1.21 6.12 0.00 -0.90 -2.01 121.76 126.53 1mnl s ALA 71 Ca -0.01 -2.71 -0.19 0.00 0.00 0.00 0.00 51.96 49.04 1mnl s ALA 71 Cb -0.06 -3.86 0.07 0.00 0.00 0.00 0.00 23.12 19.27 1mnl s ALA 71 CO 0.00 -2.74 1.62 0.34 0.00 0.00 0.00 175.76 174.98 1mnl s ASP 72 N 3.36 6.76 0.24 0.00 2.15 -0.96 -3.02 116.67 125.20 1mnl s ASP 72 Ca 0.26 -2.21 -0.30 0.00 0.43 0.00 0.00 52.55 50.73 1mnl s ASP 72 Cb -0.10 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.88 1mnl s ASP 72 CO -0.05 -1.23 1.05 -0.51 -0.17 0.00 0.00 175.17 174.26 1mnl s ILE 73 N 4.19 3.75 -0.09 4.11 -1.16 -0.76 -0.73 121.20 130.51 1mnl s ILE 73 Ca 0.50 1.69 -0.00 0.00 -0.51 0.00 0.00 60.65 62.33 1mnl s ILE 73 Cb 0.02 -4.08 0.02 0.00 0.61 0.00 0.00 42.46 39.04 1mnl s ILE 73 CO 0.02 0.38 -0.06 -0.55 -2.81 0.00 0.00 174.94 171.92 1mnl s SER 74 N -0.76 1.88 -0.20 4.50 0.15 0.46 0.20 113.70 119.93 1mnl s SER 74 Ca 0.45 -0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.81 1mnl s SER 74 Cb -0.30 -0.70 0.09 0.00 -1.71 0.00 0.00 66.02 63.41 1mnl s SER 74 CO 0.37 -0.12 0.41 -1.61 1.20 0.00 0.00 173.24 173.49 1mnl s GLU 75 N 1.63 0.31 0.00 5.44 2.02 -0.95 -1.44 118.70 125.72 1mnl s GLU 75 Ca 0.02 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.99 1mnl s GLU 75 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1mnl s GLU 75 CO -0.06 -0.29 0.00 -3.47 0.02 0.00 0.00 175.26 171.47 1mnl n ASP 76 N 5.39 0.00 0.10 -0.19 2.03 -1.10 0.20 116.55 122.97 1mnl n ASP 76 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1mnl n ASP 76 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 -3.40 -0.08 -0.67 4.19 0.73 -2.92 117.16 115.00 1mnl n TYR 77 Ca 0.00 0.66 -0.11 0.00 3.31 0.00 0.00 57.90 61.76 1mnl n TYR 77 Cb 0.00 1.94 -0.06 0.00 0.49 0.00 0.00 39.34 41.71 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 0.00 0.00 2.98 3.64 -1.46 -3.33 116.57 118.40 1mnl h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mnl h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1mnl h LYS 78 CO 0.00 0.48 0.00 2.41 -2.27 0.00 0.00 179.45 180.07 1mnl n THR 79 N -4.58 0.00 -2.33 1.00 -1.04 -1.26 -4.84 114.28 101.22 1mnl n THR 79 Ca -0.15 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.70 1mnl n THR 79 Cb 0.39 -0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.91 -1.93 0.00 -2.82 5.12 -1.25 -4.84 116.66 110.03 1mnl n ARG 80 Ca 0.17 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1mnl n ARG 80 Cb 0.08 -5.39 0.00 0.00 -1.16 0.00 0.00 32.46 25.98 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 -0.84 -0.78 3.10 -0.13 0.00 -1.26 -4.78 105.19 100.50 1mnl n GLY 81 Ca -0.19 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.17 0.79 -3.39 1.61 1.74 -1.26 -4.88 116.66 109.10 1mnl n ARG 82 Ca 0.00 -1.61 -0.14 0.00 -0.77 0.00 0.00 57.85 55.33 1mnl n ARG 82 Cb 0.00 2.05 -0.09 0.00 -1.02 0.00 0.00 32.46 33.40 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 -2.06 0.31 0.14 5.56 1.02 -1.25 -2.69 119.74 120.77 1mnl s LYS 83 Ca 0.15 0.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.08 1mnl s LYS 83 Cb -0.03 -0.69 0.08 0.00 -0.52 0.00 0.00 37.83 36.67 1mnl s LYS 83 CO 0.08 -0.83 1.09 -1.17 -0.92 0.00 0.00 175.35 173.60 1mnl s LEU 84 N 2.43 0.01 0.00 3.17 2.96 -0.52 -5.00 118.68 121.72 1mnl s LEU 84 Ca 0.10 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1mnl s LEU 84 Cb -0.15 1.92 0.03 0.00 0.50 0.00 0.00 46.19 48.49 1mnl s LEU 84 CO -0.23 -0.84 0.59 0.00 -1.32 0.00 0.00 176.35 174.55 1mnl n LEU 85 N -0.75 0.00 0.00 -0.68 -0.00 -1.26 0.18 117.00 114.49 1mnl n LEU 85 Ca -0.01 -2.59 -0.17 0.00 -0.00 0.00 0.00 56.01 53.24 1mnl n LEU 85 Cb 0.59 2.94 -0.05 0.00 -0.00 0.00 0.00 43.42 46.90 1mnl n LEU 85 CO 0.20 -0.70 -0.10 0.54 -0.00 0.00 0.00 177.39 177.32 1mnl n ARG 86 N -0.53 0.51 -2.87 1.47 1.74 0.09 -4.84 116.66 112.24 1mnl n ARG 86 Ca -0.03 -2.50 -0.12 0.00 -0.77 0.00 0.00 57.85 54.43 1mnl n ARG 86 Cb 0.56 1.65 0.04 0.00 -1.02 0.00 0.00 32.46 33.69 1mnl n ARG 86 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mnl n PHE 87 N -0.59 -2.12 -2.11 -1.55 3.72 -1.18 -2.26 117.46 111.37 1mnl n PHE 87 Ca -0.00 -2.53 0.00 0.00 -0.05 0.00 0.00 57.45 54.87 1mnl n PHE 87 Cb 0.45 1.03 0.00 0.00 -0.94 0.00 0.00 39.48 40.02 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 0.66 0.00 -2.63 4.37 3.02 -0.85 -4.69 115.26 115.14 1mnl n ASN 88 Ca 0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.56 1mnl n ASN 88 Cb 0.67 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.89 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 -0.19 0.41 7.41 0.00 -1.26 -0.62 105.19 110.94 1mnl n GLY 89 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.97 -1.50 0.00 1.61 -0.04 -1.26 -4.11 135.00 126.73 1mnl n PRO 90 Ca -0.15 -0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.18 1mnl n PRO 90 Cb 0.60 -0.20 0.46 0.00 -0.04 0.00 0.00 33.50 34.33 1mnl n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79