#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 1.83 -0.11 1.61 2.12 0.53 -4.93 118.70 119.75 1mnl s GLU 2 Ca 0.00 -1.82 -0.30 0.00 0.36 0.00 0.00 54.97 53.21 1mnl s GLU 2 Cb 0.00 0.40 0.10 0.00 0.26 0.00 0.00 34.13 34.90 1mnl s GLU 2 CO 0.00 -0.73 0.87 1.67 -0.54 0.00 0.00 175.26 176.52 1mnl s TRP 3 N -3.22 -0.49 -0.29 5.30 -2.14 -1.26 -2.57 118.94 114.27 1mnl s TRP 3 Ca 0.34 0.83 -0.18 0.00 2.66 0.00 0.00 56.10 59.75 1mnl s TRP 3 Cb 0.01 0.43 0.15 0.00 -3.10 0.00 0.00 33.47 30.96 1mnl s TRP 3 CO 0.22 -0.45 1.06 -1.83 -2.66 0.00 0.00 176.95 173.28 1mnl s GLU 4 N -1.16 0.33 0.65 3.25 -1.05 0.26 -4.96 118.70 116.03 1mnl s GLU 4 Ca -0.05 0.53 -0.09 0.00 -0.15 0.00 0.00 54.97 55.21 1mnl s GLU 4 Cb -0.00 0.09 0.15 0.00 -0.44 0.00 0.00 34.13 33.92 1mnl s GLU 4 CO 0.05 -0.06 0.89 0.44 0.95 0.00 0.00 175.26 177.53 1mnl n ILE 5 N 3.22 0.00 -2.41 1.83 -5.35 -1.26 0.04 119.36 115.44 1mnl n ILE 5 Ca -0.17 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1mnl n ILE 5 Cb 0.57 -1.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.00 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 -3.07 0.00 -2.66 7.28 2.08 -1.14 -4.76 119.36 117.09 1mnl n ILE 6 Ca 0.12 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.33 1mnl n ILE 6 Cb 0.42 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.33 1mnl n ILE 6 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1mnl n ASP 7 N 0.00 1.62 -4.26 4.38 9.92 -1.26 -4.97 116.55 121.98 1mnl n ASP 7 Ca 0.00 -2.78 -0.34 0.00 -0.53 0.00 0.00 54.79 51.14 1mnl n ASP 7 Cb 0.00 -0.53 -0.07 0.00 -0.64 0.00 0.00 41.12 39.88 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mnl n ILE 8 N -0.08 -1.43 0.07 0.53 3.06 -1.26 -4.74 119.36 115.51 1mnl n ILE 8 Ca 0.11 -0.52 0.00 0.00 -2.50 0.00 0.00 62.75 59.84 1mnl n ILE 8 Cb 0.81 -1.33 0.00 0.00 0.54 0.00 0.00 39.64 39.66 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 -2.47 -0.26 0.06 4.50 0.00 -1.26 -4.86 105.19 100.90 1mnl n GLY 9 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1mnl n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mnl h PRO 10 N 0.00 0.00 -0.12 1.61 0.13 -2.00 -3.16 132.00 128.46 1mnl h PRO 10 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1mnl h PRO 10 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mnl h PRO 10 CO 0.00 0.12 0.31 0.74 -0.23 0.00 0.00 178.00 178.94 1mnl h PHE 11 N -1.00 0.00 0.49 1.56 -1.00 -1.96 -0.72 116.94 114.31 1mnl h PHE 11 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1mnl h PHE 11 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1mnl h PHE 11 CO -0.02 0.00 -0.23 1.79 -1.61 0.00 0.00 178.31 178.24 1mnl h THR 12 N 0.00 0.00 -0.24 -1.55 1.35 -1.89 0.25 112.91 110.83 1mnl h THR 12 Ca 0.06 -0.40 0.07 0.00 -0.55 0.00 0.00 66.41 65.59 1mnl h THR 12 Cb 0.67 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1mnl h THR 12 CO -0.00 0.00 0.29 -0.61 -0.25 0.00 0.00 175.52 174.95 1mnl h GLN 13 N -1.05 0.00 0.15 4.72 -0.00 -1.22 -0.94 115.11 116.77 1mnl h GLN 13 Ca -0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.37 1mnl h GLN 13 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.00 1mnl h GLN 13 CO 0.11 0.00 -0.94 -0.97 0.00 0.00 0.00 178.83 177.03 1mnl h ASN 14 N 0.00 0.49 -0.76 -0.69 -0.73 -1.02 -3.13 115.58 109.75 1mnl h ASN 14 Ca 0.11 -0.94 0.17 0.00 1.87 0.00 0.00 56.30 57.52 1mnl h ASN 14 Cb 0.69 -0.16 -0.13 0.00 0.27 0.00 0.00 38.32 38.99 1mnl h ASN 14 CO -0.00 1.45 0.04 0.25 -0.37 0.00 0.00 177.43 178.80 1mnl h LEU 15 N -0.32 -0.27 0.09 0.34 6.46 0.94 0.24 115.31 122.78 1mnl h LEU 15 Ca -0.17 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1mnl h LEU 15 Cb 1.70 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 41.95 1mnl h LEU 15 CO 0.15 -0.16 -0.04 1.23 -0.62 0.00 0.00 178.44 179.00 1mnl h GLY 16 N 0.13 -0.12 0.00 3.75 0.00 -1.61 -2.58 103.07 102.63 1mnl h GLY 16 Ca 0.42 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1mnl h GLY 16 CO -0.64 -0.04 0.00 1.17 0.00 0.00 0.00 176.54 177.03 1mnl n LYS 17 N -5.03 0.00 -0.22 4.80 0.00 -0.33 -2.73 118.16 114.65 1mnl n LYS 17 Ca -0.08 0.01 -0.06 0.00 0.00 0.00 0.00 58.31 58.18 1mnl n LYS 17 Cb 0.17 -0.82 -0.05 0.00 0.00 0.00 0.00 35.03 34.33 1mnl n LYS 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1mnl n PHE 18 N -0.54 -0.23 0.00 5.64 7.35 0.71 -1.27 117.46 129.12 1mnl n PHE 18 Ca 0.00 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.33 1mnl n PHE 18 Cb 0.00 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 39.33 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1mnl n ALA 19 N -3.28 -0.07 -0.25 3.13 0.00 -0.97 0.89 120.51 119.97 1mnl n ALA 19 Ca 0.01 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.76 1mnl n ALA 19 Cb 0.13 0.31 0.53 0.00 0.00 0.00 0.00 19.45 20.42 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 0.05 0.00 0.00 2.07 -1.10 1.94 116.25 119.21 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1mnl h VAL 20 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1mnl h VAL 20 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1mnl n ASP 21 N -3.40 0.00 -0.18 0.57 -0.08 0.20 -2.63 116.55 111.03 1mnl n ASP 21 Ca 0.24 0.28 -0.01 0.00 -1.51 0.00 0.00 54.79 53.79 1mnl n ASP 21 Cb 1.49 -0.45 0.21 0.00 2.34 0.00 0.00 41.12 44.71 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1mnl h GLU 22 N 0.00 0.93 0.25 -0.67 4.81 0.11 2.00 114.58 122.00 1mnl h GLU 22 Ca 0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1mnl h GLU 22 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1mnl h GLU 22 CO 0.00 0.72 -0.17 1.49 -0.73 0.00 0.00 179.01 180.32 1mnl h GLU 23 N 0.93 -0.40 -0.14 1.92 4.22 0.30 1.97 114.58 123.38 1mnl h GLU 23 Ca 0.23 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.66 1mnl h GLU 23 Cb 0.09 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1mnl h GLU 23 CO -0.03 -0.27 -0.08 -0.97 -2.18 0.00 0.00 179.01 175.48 1mnl h ASN 24 N -0.41 0.30 -0.71 1.04 -0.73 -1.20 0.35 115.58 114.22 1mnl h ASN 24 Ca -0.02 -0.43 0.08 0.00 1.87 0.00 0.00 56.30 57.80 1mnl h ASN 24 Cb 0.36 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 1mnl h ASN 24 CO 0.01 0.67 0.47 0.11 -0.37 0.00 0.00 177.43 178.31 1mnl h LYS 25 N -0.06 0.66 0.00 6.67 1.57 0.35 0.10 116.57 125.87 1mnl h LYS 25 Ca 0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1mnl h LYS 25 Cb 0.56 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1mnl h LYS 25 CO 0.02 0.44 -0.08 0.97 -0.57 0.00 0.00 179.45 180.23 1mnl h ILE 26 N 0.68 0.24 0.00 1.86 -0.00 0.34 -3.45 117.51 117.18 1mnl h ILE 26 Ca 0.31 -0.63 0.00 0.00 -0.00 0.00 0.00 64.86 64.55 1mnl h ILE 26 Cb 0.34 1.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.66 1mnl h ILE 26 CO -0.11 0.08 0.00 0.61 -0.00 0.00 0.00 178.15 178.73 1mnl n GLY 27 N -0.17 1.34 2.76 8.18 0.00 0.36 -5.04 105.19 112.62 1mnl n GLY 27 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 4.36 -0.07 1.61 1.13 0.12 -4.75 117.38 119.79 1mnl n GLN 28 Ca 0.00 -4.62 0.01 0.00 -1.94 0.00 0.00 57.00 50.46 1mnl n GLN 28 Cb 0.00 -2.36 0.05 0.00 0.11 0.00 0.00 30.24 28.03 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 -0.19 0.17 -0.10 1.08 4.11 -1.26 -3.85 117.16 117.12 1mnl n TYR 29 Ca 0.42 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.90 58.21 1mnl n TYR 29 Cb 0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.34 39.59 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1mnl h GLY 30 N 5.54 -1.97 0.00 -7.48 0.00 -1.93 -3.46 103.07 93.76 1mnl h GLY 30 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 47.33 48.30 1mnl h GLY 30 CO 0.02 -0.65 0.00 0.54 0.00 0.00 0.00 176.54 176.45 1mnl n ARG 31 N -3.65 0.00 -0.79 4.80 5.12 -1.26 -5.16 116.66 115.72 1mnl n ARG 31 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1mnl n ARG 31 Cb 0.09 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 31.59 1mnl n ARG 31 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1mnl n LEU 32 N 0.00 0.00 -2.74 0.55 7.99 -1.26 -4.96 117.00 116.57 1mnl n LEU 32 Ca 0.00 -0.91 -0.13 0.00 -0.01 0.00 0.00 56.01 54.96 1mnl n LEU 32 Cb 0.00 -0.80 0.01 0.00 -0.11 0.00 0.00 43.42 42.53 1mnl n LEU 32 CO 0.00 -1.96 -0.09 0.35 -1.51 0.00 0.00 177.39 174.17 1mnl n THR 33 N -4.43 1.02 -3.48 -5.08 -2.24 -1.26 -4.80 114.28 94.00 1mnl n THR 33 Ca 0.12 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.27 1mnl n THR 33 Cb 0.47 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1mnl n THR 33 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1mnl s PHE 34 N -3.06 -0.65 0.22 4.78 -0.71 -1.26 -4.29 117.98 113.01 1mnl s PHE 34 Ca 0.33 1.17 0.00 0.00 -1.04 0.00 0.00 56.93 57.39 1mnl s PHE 34 Cb 0.43 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.63 1mnl s PHE 34 CO -0.02 -0.32 0.00 -1.71 -1.34 0.00 0.00 175.22 171.83 1mnl n ASN 35 N 4.58 -1.70 0.00 1.98 2.85 -1.26 -4.29 115.26 117.42 1mnl n ASN 35 Ca -0.12 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 1mnl n ASN 35 Cb 0.54 1.79 0.00 0.00 1.24 0.00 0.00 39.78 43.35 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 -2.99 0.00 -3.83 1.20 4.01 -1.11 -4.87 118.16 110.56 1mnl n LYS 36 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 1mnl n LYS 36 Cb 0.00 -0.05 -0.01 0.00 -0.51 0.00 0.00 35.03 34.47 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1mnl s VAL 37 N 0.00 0.00 -0.23 -0.18 1.01 0.74 -4.95 120.40 116.79 1mnl s VAL 37 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1mnl s VAL 37 Cb 0.00 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1mnl s VAL 37 CO 0.00 0.00 -0.14 0.27 0.00 0.00 0.00 175.10 175.23 1mnl s ILE 38 N -3.35 2.12 0.10 2.22 -5.25 -1.26 -1.64 121.20 114.13 1mnl s ILE 38 Ca 0.13 -1.40 0.00 0.00 -0.99 0.00 0.00 60.65 58.39 1mnl s ILE 38 Cb -0.05 -2.13 0.00 0.00 2.95 0.00 0.00 42.46 43.23 1mnl s ILE 38 CO 0.07 0.15 0.00 0.54 -1.79 0.00 0.00 174.94 173.91 1mnl n ARG 39 N 4.50 0.00 -1.00 0.37 5.12 -1.26 -4.48 116.66 119.90 1mnl n ARG 39 Ca -0.16 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.63 1mnl n ARG 39 Cb 0.45 -0.49 -0.11 0.00 -1.16 0.00 0.00 32.46 31.15 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 -3.50 1.90 -2.87 5.56 -0.04 -1.13 -4.71 135.00 130.20 1mnl n PRO 40 Ca 0.00 -1.13 -0.42 0.00 -0.04 0.00 0.00 63.50 61.91 1mnl n PRO 40 Cb 0.00 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 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 2.46 1.64 -0.02 0.00 -1.94 0.54 -2.86 119.30 119.12 1mnl s MET 42 Ca 0.38 -1.83 0.03 0.00 -1.71 0.00 0.00 55.69 52.56 1mnl s MET 42 Cb -0.16 -1.40 -0.00 0.00 2.01 0.00 0.00 34.83 35.28 1mnl s MET 42 CO 0.10 0.11 -0.11 0.21 -0.01 0.00 0.00 175.02 175.32 1mnl s LYS 43 N -3.66 1.02 -0.09 2.03 2.36 0.11 -0.73 119.74 120.78 1mnl s LYS 43 Ca 0.30 -0.38 -0.06 0.00 -2.55 0.00 0.00 55.97 53.29 1mnl s LYS 43 Cb 0.02 -0.96 0.03 0.00 -1.05 0.00 0.00 37.83 35.88 1mnl s LYS 43 CO 0.13 0.18 0.21 0.15 1.55 0.00 0.00 175.35 177.57 1mnl s LYS 44 N -0.01 0.20 0.15 4.03 1.02 -1.11 0.93 119.74 124.95 1mnl s LYS 44 Ca -0.00 0.40 0.07 0.00 0.02 0.00 0.00 55.97 56.46 1mnl s LYS 44 Cb -0.07 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 1mnl s LYS 44 CO 0.00 -0.11 -0.17 0.99 -0.92 0.00 0.00 175.35 175.15 1mnl s THR 45 N 0.76 1.63 -0.61 2.17 2.01 -1.06 -2.40 115.64 118.14 1mnl s THR 45 Ca -0.05 -1.85 0.04 0.00 0.31 0.00 0.00 61.69 60.14 1mnl s THR 45 Cb -0.07 -1.73 0.36 0.00 0.01 0.00 0.00 72.50 71.07 1mnl s THR 45 CO -0.04 -0.36 1.18 0.00 -0.69 0.00 0.00 174.62 174.70 1mnl n ILE 46 N 0.37 3.24 -3.36 1.82 0.13 0.20 -0.35 119.36 121.42 1mnl n ILE 46 Ca -0.14 -5.34 -0.21 0.00 -1.10 0.00 0.00 62.75 55.96 1mnl n ILE 46 Cb 0.57 -1.36 0.04 0.00 -0.84 0.00 0.00 39.64 38.05 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 -0.32 -1.66 0.00 9.51 4.11 -1.25 -2.71 117.16 124.83 1mnl n TYR 47 Ca 0.37 -2.11 0.00 0.00 -0.00 0.00 0.00 57.90 56.16 1mnl n TYR 47 Cb 0.45 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 39.30 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 -2.03 0.00 0.00 -3.48 4.07 -1.12 -4.51 120.64 113.56 1mnl n GLU 48 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1mnl n GLU 48 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 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 -0.37 4.31 5.15 -1.25 -4.87 115.26 118.23 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1mnl n ASN 49 Cb 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -1.04 0.00 0.00 1.20 2.13 -1.26 -4.91 120.64 116.76 1mnl n GLU 50 Ca 0.00 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1mnl n GLU 50 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 31.58 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 2.50 -3.89 5.31 3.00 -1.26 -5.13 116.66 117.18 1mnl n ARG 51 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1mnl n ARG 51 Cb 0.54 -0.81 0.01 0.00 0.00 0.00 0.00 32.46 32.20 1mnl n ARG 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1mnl s GLU 52 N -1.62 1.04 -0.10 -0.14 -1.05 -1.26 -5.09 118.70 110.47 1mnl s GLU 52 Ca 0.00 -0.66 0.02 0.00 -0.15 0.00 0.00 54.97 54.18 1mnl s GLU 52 Cb 0.00 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1mnl s GLU 52 CO 0.00 -0.49 -0.15 0.42 0.95 0.00 0.00 175.26 175.99 1mnl s ILE 53 N -2.19 1.48 -0.18 1.83 -1.09 -1.26 -2.80 121.20 116.99 1mnl s ILE 53 Ca 0.23 -0.64 -0.17 0.00 -2.23 0.00 0.00 60.65 57.83 1mnl s ILE 53 Cb -0.02 -1.34 -0.06 0.00 -1.58 0.00 0.00 42.46 39.46 1mnl s ILE 53 CO 0.03 0.44 -0.34 0.29 -1.23 0.00 0.00 174.94 174.13 1mnl n LYS 54 N 4.07 0.52 -3.73 2.79 4.01 -1.26 -0.86 118.16 123.69 1mnl n LYS 54 Ca -0.20 0.21 -0.15 0.00 -0.51 0.00 0.00 58.31 57.66 1mnl n LYS 54 Cb 0.51 -1.41 -0.15 0.00 -0.51 0.00 0.00 35.03 33.47 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1mnl s GLY 55 N -4.91 0.02 -0.36 0.72 0.00 -1.10 -0.22 107.32 101.46 1mnl s GLY 55 Ca -0.29 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.98 1mnl s GLY 55 CO 0.42 1.09 0.12 -0.47 0.00 0.00 0.00 173.10 174.27 1mnl s TYR 56 N 1.42 3.47 0.48 1.90 6.14 -0.76 0.61 117.35 130.60 1mnl s TYR 56 Ca -0.06 -2.19 0.03 0.00 0.64 0.00 0.00 57.07 55.49 1mnl s TYR 56 Cb -0.12 -2.77 -0.03 0.00 0.42 0.00 0.00 41.96 39.47 1mnl s TYR 56 CO -0.05 -0.90 0.02 -1.83 0.64 0.00 0.00 175.55 173.43 1mnl s GLU 57 N 1.19 2.14 0.16 4.97 -1.05 -1.01 -1.16 118.70 123.93 1mnl s GLU 57 Ca 0.03 -2.30 -0.15 0.00 -0.15 0.00 0.00 54.97 52.40 1mnl s GLU 57 Cb -0.21 -1.59 0.03 0.00 -0.44 0.00 0.00 34.13 31.91 1mnl s GLU 57 CO -0.03 -0.28 0.43 1.52 0.95 0.00 0.00 175.26 177.85 1mnl s TYR 58 N -2.82 -0.07 -0.13 4.83 1.13 0.27 -2.75 117.35 117.80 1mnl s TYR 58 Ca 0.15 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.55 1mnl s TYR 58 Cb 0.04 0.26 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1mnl s TYR 58 CO 0.08 -0.79 -0.12 -1.14 -2.51 0.00 0.00 175.55 171.06 1mnl s GLN 59 N -3.86 2.04 -0.68 -3.49 0.74 0.09 -2.20 119.66 112.30 1mnl s GLN 59 Ca 0.08 -0.46 0.05 0.00 0.05 0.00 0.00 55.36 55.08 1mnl s GLN 59 Cb 0.01 -1.90 0.24 0.00 1.10 0.00 0.00 33.01 32.46 1mnl s GLN 59 CO -0.06 -0.22 0.76 -0.11 -0.55 0.00 0.00 175.29 175.11 1mnl n LEU 60 N 4.72 3.85 -4.61 3.68 7.94 -1.06 0.20 117.00 131.73 1mnl n LEU 60 Ca -0.16 -5.40 -0.43 0.00 -1.11 0.00 0.00 56.01 48.91 1mnl n LEU 60 Cb 0.50 -0.72 -0.02 0.00 0.53 0.00 0.00 43.42 43.70 1mnl n LEU 60 CO 0.20 1.99 1.42 -0.47 -1.11 0.00 0.00 177.39 179.43 1mnl s TYR 61 N -2.36 2.02 0.00 1.96 5.04 -1.03 -1.55 117.35 121.44 1mnl s TYR 61 Ca 0.37 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1mnl s TYR 61 Cb 0.12 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.28 1mnl s TYR 61 CO -0.03 -2.70 0.00 1.33 -1.34 0.00 0.00 175.55 172.82 1mnl n VAL 62 N 7.13 0.00 -3.85 3.14 0.24 0.51 -2.85 118.33 122.65 1mnl n VAL 62 Ca 0.20 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.34 1mnl n VAL 62 Cb 0.47 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.68 1mnl n VAL 62 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1mnl s TYR 63 N -5.97 0.17 0.00 6.34 5.04 -0.65 -2.16 117.35 120.11 1mnl s TYR 63 Ca 0.00 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1mnl s TYR 63 Cb 0.00 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 41.99 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 4.15 0.00 0.06 3.97 0.00 -1.18 -0.18 120.51 127.33 1mnl n ALA 64 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 1mnl n ALA 64 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1mnl n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mnl h SER 65 N 0.00 0.00 0.00 0.00 4.64 -1.87 -3.08 113.55 113.24 1mnl h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mnl h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1mnl h SER 65 CO 0.00 0.89 -0.15 0.47 -0.87 0.00 0.00 176.83 177.17 1mnl n ASP 66 N -3.27 0.00 -3.99 4.97 9.92 -1.26 -5.00 116.55 117.92 1mnl n ASP 66 Ca -0.02 -1.30 -0.39 0.00 -0.53 0.00 0.00 54.79 52.54 1mnl n ASP 66 Cb 0.91 -0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 41.31 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1mnl n LYS 67 N 0.00 3.67 -1.81 -1.24 4.81 -1.26 -4.92 118.16 117.41 1mnl n LYS 67 Ca 0.00 -4.55 -0.41 0.00 -0.87 0.00 0.00 58.31 52.49 1mnl n LYS 67 Cb 0.56 -2.46 -0.01 0.00 0.02 0.00 0.00 35.03 33.14 1mnl n LYS 67 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1mnl n LEU 68 N 1.65 7.69 0.00 3.14 7.94 -1.26 -3.13 117.00 133.03 1mnl n LEU 68 Ca 0.26 -4.52 0.00 0.00 -1.11 0.00 0.00 56.01 50.64 1mnl n LEU 68 Cb 0.36 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.80 1mnl n LEU 68 CO 0.56 1.70 0.00 2.22 -1.11 0.00 0.00 177.39 180.76 1mnl n PHE 69 N 3.73 0.00 -4.17 1.96 1.16 -0.92 -3.89 117.46 115.33 1mnl n PHE 69 Ca 0.60 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.95 1mnl n PHE 69 Cb 0.30 0.00 -0.17 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 0.00 1.11 -0.64 3.97 3.52 -0.06 0.19 118.95 127.05 1mnl s ARG 70 Ca 0.00 -0.17 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 1mnl s ARG 70 Cb 0.00 -1.10 0.04 0.00 -1.56 0.00 0.00 34.95 32.33 1mnl s ARG 70 CO 0.00 -0.11 1.09 0.00 -0.81 0.00 0.00 175.30 175.47 1mnl s ALA 71 N 1.11 3.00 0.74 6.12 0.00 -0.59 -2.81 121.76 129.32 1mnl s ALA 71 Ca -0.07 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.47 1mnl s ALA 71 Cb -0.14 -3.97 0.09 0.00 0.00 0.00 0.00 23.12 19.10 1mnl s ALA 71 CO -0.01 -2.79 1.04 -0.51 0.00 0.00 0.00 175.76 173.49 1mnl s ASP 72 N 3.33 4.49 -0.29 0.00 1.01 0.23 -2.55 116.67 122.89 1mnl s ASP 72 Ca 0.32 0.22 -0.17 0.00 0.71 0.00 0.00 52.55 53.63 1mnl s ASP 72 Cb -0.11 -0.74 0.14 0.00 1.01 0.00 0.00 42.92 43.22 1mnl s ASP 72 CO 0.17 -1.79 0.96 -0.51 0.21 0.00 0.00 175.17 174.21 1mnl s ILE 73 N -3.29 0.00 0.25 0.77 -1.16 -0.94 -2.10 121.20 114.74 1mnl s ILE 73 Ca 0.63 0.00 0.11 0.00 -0.51 0.00 0.00 60.65 60.88 1mnl s ILE 73 Cb -0.08 -1.00 -0.05 0.00 0.61 0.00 0.00 42.46 41.94 1mnl s ILE 73 CO 0.45 0.00 -0.18 -0.55 -2.81 0.00 0.00 174.94 171.85 1mnl s SER 74 N 1.20 3.23 -0.26 4.50 0.15 -1.10 0.95 113.70 122.37 1mnl s SER 74 Ca -0.07 -1.02 -0.02 0.00 0.70 0.00 0.00 55.95 55.54 1mnl s SER 74 Cb -0.04 -0.24 0.15 0.00 -1.71 0.00 0.00 66.02 64.17 1mnl s SER 74 CO -0.14 -0.03 0.41 -1.61 1.20 0.00 0.00 173.24 173.07 1mnl s GLU 75 N -3.51 0.39 1.02 5.44 2.02 0.65 -2.61 118.70 122.09 1mnl s GLU 75 Ca 0.27 0.54 -0.24 0.00 0.02 0.00 0.00 54.97 55.56 1mnl s GLU 75 Cb -0.04 -0.32 -0.13 0.00 0.10 0.00 0.00 34.13 33.75 1mnl s GLU 75 CO 0.12 -0.70 -1.10 -0.40 0.02 0.00 0.00 175.26 173.20 1mnl n ASP 76 N 5.37 -3.32 0.17 -0.19 5.68 -1.04 -1.83 116.55 121.39 1mnl n ASP 76 Ca -0.03 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1mnl n ASP 76 Cb 0.50 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n TYR 77 N -3.52 -3.95 0.00 2.11 4.19 0.69 -4.57 117.16 112.12 1mnl n TYR 77 Ca -0.01 1.12 0.00 0.00 3.31 0.00 0.00 57.90 62.32 1mnl n TYR 77 Cb 0.70 2.88 0.00 0.00 0.49 0.00 0.00 39.34 43.41 1mnl n TYR 77 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1mnl n LYS 78 N -3.20 0.31 0.07 2.98 3.00 -0.04 -4.82 118.16 116.46 1mnl n LYS 78 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1mnl n LYS 78 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 35.03 34.38 1mnl n LYS 78 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1mnl h THR 79 N 0.00 0.00 0.00 3.15 2.02 -1.79 -3.48 112.91 112.81 1mnl h THR 79 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1mnl h THR 79 Cb 0.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1mnl h THR 79 CO 0.00 0.00 0.00 -2.11 0.37 0.00 0.00 175.52 173.78 1mnl n ARG 80 N -4.31 0.00 0.00 6.66 0.00 -1.26 -5.16 116.66 112.59 1mnl n ARG 80 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1mnl n ARG 80 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.56 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mnl n GLY 81 N 0.00 -2.89 3.74 2.89 0.00 -1.26 -4.81 105.19 102.86 1mnl n GLY 81 Ca 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 1mnl n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mnl s ARG 82 N 0.00 0.73 -0.21 1.61 1.70 -1.26 -4.02 118.95 117.49 1mnl s ARG 82 Ca 0.00 -0.42 -0.11 0.00 -0.47 0.00 0.00 55.73 54.72 1mnl s ARG 82 Cb 0.00 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1mnl s ARG 82 CO 0.00 -0.34 0.18 0.21 -1.08 0.00 0.00 175.30 174.28 1mnl s LYS 83 N -2.55 4.15 0.00 3.89 2.20 -1.23 -0.26 119.74 125.95 1mnl s LYS 83 Ca 0.17 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1mnl s LYS 83 Cb 0.02 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1mnl s LYS 83 CO -0.01 0.17 0.00 -0.11 -0.36 0.00 0.00 175.35 175.05 1mnl n LEU 84 N 3.90 0.00 -3.64 5.43 7.94 -1.07 -4.91 117.00 124.65 1mnl n LEU 84 Ca -0.15 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.72 1mnl n LEU 84 Cb 0.52 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.46 1mnl n LEU 84 CO 0.37 0.00 0.86 -1.48 -1.11 0.00 0.00 177.39 176.03 1mnl s LEU 85 N 0.00 -0.18 -0.05 -1.96 2.34 -1.26 -2.73 118.68 114.85 1mnl s LEU 85 Ca 0.00 -0.17 -0.08 0.00 0.06 0.00 0.00 54.13 53.93 1mnl s LEU 85 Cb 0.00 1.78 0.02 0.00 -0.56 0.00 0.00 46.19 47.43 1mnl s LEU 85 CO 0.00 -0.56 0.20 -0.13 -1.06 0.00 0.00 176.35 174.80 1mnl s ARG 86 N -2.86 0.35 -0.77 1.48 0.52 -0.89 -4.81 118.95 111.97 1mnl s ARG 86 Ca 0.11 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 1mnl s ARG 86 Cb 0.01 0.16 0.24 0.00 0.52 0.00 0.00 34.95 35.87 1mnl s ARG 86 CO -0.03 -0.07 0.82 1.19 0.02 0.00 0.00 175.30 177.23 1mnl n PHE 87 N 2.38 3.49 -2.50 -0.53 3.01 -1.25 0.75 117.46 122.81 1mnl n PHE 87 Ca -0.16 -3.95 0.00 0.00 1.01 0.00 0.00 57.45 54.35 1mnl n PHE 87 Cb 0.57 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 1mnl n PHE 87 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1mnl n ASN 88 N 1.39 0.00 -2.16 4.37 0.23 -1.12 -4.80 115.26 113.17 1mnl n ASN 88 Ca 0.26 -0.49 -0.08 0.00 -0.53 0.00 0.00 54.58 53.74 1mnl n ASN 88 Cb 0.38 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.12 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mnl n GLY 89 N 0.00 0.05 1.40 4.83 0.00 -1.26 -0.88 105.19 109.33 1mnl n GLY 89 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.41 -2.64 0.00 1.61 -0.04 -1.26 -4.01 135.00 126.26 1mnl n PRO 90 Ca -0.11 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1mnl n PRO 90 Cb 0.57 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1mnl n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01