#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 0.52 0.18 1.61 0.41 -0.56 -5.02 118.70 115.84 1mnl s GLU 2 Ca 0.00 -0.79 0.08 0.00 -0.41 0.00 0.00 54.97 53.85 1mnl s GLU 2 Cb 0.00 -0.21 -0.04 0.00 -1.78 0.00 0.00 34.13 32.10 1mnl s GLU 2 CO 0.00 0.02 -0.17 1.67 -0.49 0.00 0.00 175.26 176.29 1mnl s TRP 3 N -1.64 1.81 -0.29 1.61 -2.14 -1.26 -1.62 118.94 115.41 1mnl s TRP 3 Ca -0.09 -0.49 -0.16 0.00 2.66 0.00 0.00 56.10 58.03 1mnl s TRP 3 Cb -0.08 -0.88 0.13 0.00 -3.10 0.00 0.00 33.47 29.53 1mnl s TRP 3 CO -0.01 0.35 0.88 -1.83 -2.66 0.00 0.00 176.95 173.69 1mnl s GLU 4 N -3.02 0.48 1.04 3.25 -1.05 0.34 -4.97 118.70 114.77 1mnl s GLU 4 Ca 0.18 0.85 -0.17 0.00 -0.15 0.00 0.00 54.97 55.68 1mnl s GLU 4 Cb -0.05 0.14 0.22 0.00 -0.44 0.00 0.00 34.13 34.00 1mnl s GLU 4 CO 0.07 -0.11 1.21 0.96 0.95 0.00 0.00 175.26 178.35 1mnl s ILE 5 N 1.53 1.85 0.00 1.83 -4.36 -1.26 -1.19 121.20 119.60 1mnl s ILE 5 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.30 1mnl s ILE 5 Cb -0.04 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.89 1mnl s ILE 5 CO -0.17 0.00 0.00 2.30 0.24 0.00 0.00 174.94 177.31 1mnl n ILE 6 N -4.13 0.00 -2.64 8.37 -0.00 -1.17 -4.77 119.36 115.01 1mnl n ILE 6 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.77 1mnl n ILE 6 Cb 0.59 -0.44 0.03 0.00 -0.00 0.00 0.00 39.64 39.82 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 -0.44 1.86 -4.47 7.28 2.03 -1.26 -4.96 116.55 116.59 1mnl n ASP 7 Ca 0.00 -2.81 -0.39 0.00 0.52 0.00 0.00 54.79 52.11 1mnl n ASP 7 Cb 0.00 -0.52 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 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 -0.14 -0.34 0.09 5.18 3.06 -1.26 -4.69 119.36 121.25 1mnl n ILE 8 Ca 0.13 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1mnl n ILE 8 Cb 0.80 -0.68 0.00 0.00 0.54 0.00 0.00 39.64 40.30 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 -1.56 -0.20 0.06 4.50 0.00 -1.26 -4.82 105.19 101.91 1mnl n GLY 9 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.83 1.61 0.13 -1.99 -3.19 132.00 127.73 1mnl h PRO 10 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 1mnl h PRO 10 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1mnl h PRO 10 CO 0.00 0.02 0.57 0.74 -0.23 0.00 0.00 178.00 179.10 1mnl h PHE 11 N -1.00 0.30 0.73 1.56 -1.00 -1.95 1.52 116.94 117.10 1mnl h PHE 11 Ca -0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1mnl h PHE 11 Cb 0.34 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1mnl h PHE 11 CO -0.13 0.08 -0.39 1.79 -1.61 0.00 0.00 178.31 178.05 1mnl h THR 12 N 0.23 0.20 0.00 -1.55 1.35 -1.88 1.17 112.91 112.43 1mnl h THR 12 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1mnl h THR 12 Cb 1.28 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1mnl h THR 12 CO -0.10 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.56 1mnl h GLN 13 N -1.04 0.00 0.06 4.72 4.15 -0.80 -3.06 115.11 119.14 1mnl h GLN 13 Ca -0.10 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1mnl h GLN 13 Cb 0.82 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1mnl h GLN 13 CO 0.14 0.00 -0.03 -0.97 -1.93 0.00 0.00 178.83 176.04 1mnl h ASN 14 N 0.00 -0.07 -0.60 -0.69 -0.73 0.37 -3.00 115.58 110.86 1mnl h ASN 14 Ca 0.00 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.23 1mnl h ASN 14 Cb 0.31 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.85 1mnl h ASN 14 CO 0.00 0.23 -0.36 0.25 -0.37 0.00 0.00 177.43 177.18 1mnl h LEU 15 N -0.65 -1.32 -0.81 0.34 5.85 0.13 0.71 115.31 119.56 1mnl h LEU 15 Ca -0.01 0.20 0.20 0.00 0.84 0.00 0.00 57.88 59.11 1mnl h LEU 15 Cb 0.07 0.58 -0.13 0.00 0.37 0.00 0.00 40.66 41.54 1mnl h LEU 15 CO 0.01 -0.14 0.11 1.23 -0.34 0.00 0.00 178.44 179.31 1mnl h GLY 16 N -0.01 1.08 0.00 3.75 0.00 -1.64 0.15 103.07 106.39 1mnl h GLY 16 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1mnl h GLY 16 CO -0.57 -0.32 0.00 0.28 0.00 0.00 0.00 176.54 175.94 1mnl n LYS 17 N -5.28 0.00 -0.23 4.80 4.01 0.20 -2.52 118.16 119.14 1mnl n LYS 17 Ca 0.17 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.91 1mnl n LYS 17 Cb 0.56 -0.53 -0.06 0.00 -0.51 0.00 0.00 35.03 34.50 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 -0.30 -0.24 0.00 2.13 3.01 0.12 -1.47 117.46 120.71 1mnl n PHE 18 Ca 0.00 0.69 0.00 0.00 1.01 0.00 0.00 57.45 59.15 1mnl n PHE 18 Cb 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 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 -3.15 -0.08 -0.42 4.37 0.00 0.52 0.16 120.51 121.90 1mnl n ALA 19 Ca 0.01 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.84 1mnl n ALA 19 Cb 0.14 0.40 0.63 0.00 0.00 0.00 0.00 19.45 20.62 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 0.03 0.00 0.00 2.07 -1.08 1.80 116.25 119.07 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 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1mnl h VAL 20 CO 0.00 0.00 -0.23 -0.67 0.02 0.00 0.00 177.57 176.69 1mnl n ASP 21 N -3.59 0.69 0.15 0.57 2.03 0.27 -2.56 116.55 114.11 1mnl n ASP 21 Ca 0.32 0.33 0.06 0.00 0.52 0.00 0.00 54.79 56.01 1mnl n ASP 21 Cb 1.70 -0.63 0.52 0.00 -0.72 0.00 0.00 41.12 42.00 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1mnl h GLU 22 N -0.37 0.22 0.32 -0.67 5.08 0.21 1.69 114.58 121.05 1mnl h GLU 22 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1mnl h GLU 22 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1mnl h GLU 22 CO 0.00 0.18 -0.15 1.49 -1.00 0.00 0.00 179.01 179.53 1mnl h GLU 23 N 0.22 -0.41 -0.49 2.33 4.57 0.26 1.45 114.58 122.52 1mnl h GLU 23 Ca 0.06 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.36 1mnl h GLU 23 Cb 0.05 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 1mnl h GLU 23 CO -0.01 -0.27 0.00 -0.97 -1.18 0.00 0.00 179.01 176.58 1mnl h ASN 24 N -1.09 -0.20 -0.39 1.04 -0.73 -1.27 0.40 115.58 113.34 1mnl h ASN 24 Ca -0.04 0.11 0.04 0.00 1.87 0.00 0.00 56.30 58.28 1mnl h ASN 24 Cb 0.32 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.08 1mnl h ASN 24 CO 0.07 -0.07 0.15 0.50 -0.37 0.00 0.00 177.43 177.72 1mnl h LYS 25 N 0.12 0.31 -0.44 6.67 3.64 0.25 0.52 116.57 127.64 1mnl h LYS 25 Ca 0.24 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 1mnl h LYS 25 Cb 0.36 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1mnl h LYS 25 CO -0.40 0.20 0.57 0.82 -2.27 0.00 0.00 179.45 178.37 1mnl h ILE 26 N 0.32 0.24 0.00 2.00 1.08 0.62 -3.43 117.51 118.34 1mnl h ILE 26 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1mnl h ILE 26 Cb 0.14 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1mnl h ILE 26 CO -0.17 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.90 1mnl n GLY 27 N -1.49 1.93 2.51 5.37 0.00 0.18 -5.05 105.19 108.65 1mnl n GLY 27 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 2.27 -0.54 1.61 -0.06 -0.20 -4.86 117.38 115.60 1mnl n GLN 28 Ca 0.00 -4.35 -0.01 0.00 -2.00 0.00 0.00 57.00 50.64 1mnl n GLN 28 Cb 0.00 -2.02 0.19 0.00 -4.06 0.00 0.00 30.24 24.35 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 0.56 1.28 -0.35 3.69 0.18 -1.26 -3.37 117.16 117.88 1mnl n TYR 29 Ca 0.28 -0.62 -0.04 0.00 1.88 0.00 0.00 57.90 59.40 1mnl n TYR 29 Cb 0.45 -0.41 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 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 3.92 -0.19 0.00 -7.48 0.00 -1.95 -3.45 103.07 93.91 1mnl h GLY 30 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1mnl h GLY 30 CO 0.36 -0.15 0.00 0.54 0.00 0.00 0.00 176.54 177.29 1mnl n ARG 31 N -5.42 0.00 -3.91 4.80 1.74 -1.26 -5.17 116.66 107.44 1mnl n ARG 31 Ca 0.07 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 1mnl n ARG 31 Cb 0.36 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.75 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 -0.04 0.00 -2.68 0.55 4.32 -1.26 -5.06 117.00 112.83 1mnl n LEU 32 Ca 0.00 -2.41 -0.08 0.00 -0.02 0.00 0.00 56.01 53.50 1mnl n LEU 32 Cb 0.00 0.61 0.06 0.00 -1.62 0.00 0.00 43.42 42.47 1mnl n LEU 32 CO 0.00 -0.36 0.10 0.41 -1.22 0.00 0.00 177.39 176.31 1mnl n THR 33 N -0.80 0.64 0.00 -5.08 -1.04 -1.26 -4.70 114.28 102.04 1mnl n THR 33 Ca -0.09 -2.53 0.00 0.00 -2.04 0.00 0.00 64.05 59.40 1mnl n THR 33 Cb 0.48 0.78 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 1mnl n THR 33 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1mnl n PHE 34 N -0.24 0.00 0.00 -1.42 7.35 -1.26 -3.87 117.46 118.02 1mnl n PHE 34 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1mnl n PHE 34 Cb 0.83 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.66 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 2.15 0.00 -2.13 5.15 -1.26 -4.83 115.26 114.34 1mnl n ASN 35 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1mnl n ASN 35 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.68 0.00 -3.90 1.20 4.76 -1.13 -4.93 118.16 111.48 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 0.48 -0.11 -0.02 0.00 -1.84 0.00 0.00 35.03 33.54 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 -0.41 -0.18 1.01 0.94 -4.96 120.40 116.80 1mnl s VAL 37 Ca 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1mnl s VAL 37 Cb 0.00 -2.19 0.14 0.00 0.00 0.00 0.00 36.38 34.34 1mnl s VAL 37 CO 0.00 0.00 0.25 -0.51 0.00 0.00 0.00 175.10 174.84 1mnl s ILE 38 N -3.71 0.80 -0.17 2.22 2.07 -1.26 -1.69 121.20 119.46 1mnl s ILE 38 Ca 0.15 -2.30 -0.12 0.00 -1.41 0.00 0.00 60.65 56.98 1mnl s ILE 38 Cb -0.04 -1.57 -0.07 0.00 0.13 0.00 0.00 42.46 40.90 1mnl s ILE 38 CO 0.09 -0.99 -0.27 -1.14 -1.91 0.00 0.00 174.94 170.72 1mnl n ARG 39 N 3.58 0.43 -1.22 3.50 0.63 -1.26 -4.54 116.66 117.78 1mnl n ARG 39 Ca 0.13 0.18 -0.20 0.00 -0.92 0.00 0.00 57.85 57.05 1mnl n ARG 39 Cb 0.37 -1.23 -0.12 0.00 0.45 0.00 0.00 32.46 31.94 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 -4.04 2.33 -3.71 -0.14 -0.04 -1.18 -4.88 135.00 123.34 1mnl n PRO 40 Ca -0.30 -1.62 -0.37 0.00 -0.04 0.00 0.00 63.50 61.17 1mnl n PRO 40 Cb 0.65 -2.12 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.57 2.17 0.03 0.00 -1.94 0.13 -3.05 119.30 118.21 1mnl s MET 42 Ca 0.06 -2.33 -0.01 0.00 -1.71 0.00 0.00 55.69 51.70 1mnl s MET 42 Cb -0.15 -1.60 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 1mnl s MET 42 CO 0.06 -0.34 -0.01 0.21 -0.01 0.00 0.00 175.02 174.93 1mnl s LYS 43 N -3.89 0.46 -0.29 2.03 2.36 -0.33 -2.71 119.74 117.37 1mnl s LYS 43 Ca 0.12 -0.85 0.02 0.00 -2.55 0.00 0.00 55.97 52.71 1mnl s LYS 43 Cb 0.02 0.16 0.16 0.00 -1.05 0.00 0.00 37.83 37.12 1mnl s LYS 43 CO 0.06 -0.09 0.40 0.21 1.55 0.00 0.00 175.35 177.49 1mnl s LYS 44 N -2.51 0.40 0.08 4.03 2.20 -0.67 -0.50 119.74 122.77 1mnl s LYS 44 Ca -0.06 0.13 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1mnl s LYS 44 Cb -0.02 -0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 35.91 1mnl s LYS 44 CO -0.05 -1.01 0.28 0.99 -0.36 0.00 0.00 175.35 175.20 1mnl s THR 45 N 2.53 5.29 -0.45 3.43 2.01 -0.64 -2.05 115.64 125.77 1mnl s THR 45 Ca 0.10 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1mnl s THR 45 Cb -0.13 -3.61 0.44 0.00 0.01 0.00 0.00 72.50 69.21 1mnl s THR 45 CO -0.30 0.15 1.41 0.00 -0.69 0.00 0.00 174.62 175.19 1mnl n ILE 46 N 0.39 2.80 -1.81 1.82 0.13 -1.05 -1.50 119.36 120.13 1mnl n ILE 46 Ca -0.05 -4.16 -0.21 0.00 -1.10 0.00 0.00 62.75 57.23 1mnl n ILE 46 Cb 0.52 -1.18 0.14 0.00 -0.84 0.00 0.00 39.64 38.27 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 -0.68 -3.84 0.00 9.51 4.11 -1.19 -2.64 117.16 122.44 1mnl n TYR 47 Ca 0.47 -0.93 0.00 0.00 -0.00 0.00 0.00 57.90 57.44 1mnl n TYR 47 Cb 0.77 -0.71 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 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 -2.93 0.00 0.02 -3.48 4.07 -1.23 -4.55 120.64 112.54 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 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 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 -0.28 -0.21 4.31 5.15 -1.25 -4.86 115.26 118.13 1mnl n ASN 49 Ca 0.00 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1mnl n ASN 49 Cb 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1mnl n GLU 50 N -2.41 0.00 0.00 1.20 4.07 -1.26 -4.88 120.64 117.35 1mnl n GLU 50 Ca 0.00 -0.38 0.00 0.00 -0.06 0.00 0.00 57.16 56.72 1mnl n GLU 50 Cb 0.00 -0.27 0.00 0.00 -0.06 0.00 0.00 31.44 31.11 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1mnl n ARG 51 N 0.00 2.78 -0.79 5.31 3.00 -1.26 -5.13 116.66 120.57 1mnl n ARG 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1mnl n ARG 51 Cb 0.54 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 32.10 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1mnl n GLU 52 N -1.60 0.00 -4.28 -0.14 0.28 -1.26 -5.11 120.64 108.52 1mnl n GLU 52 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1mnl n GLU 52 Cb 0.32 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.07 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 -2.47 1.61 0.08 3.84 1.10 -1.26 -3.47 121.20 120.63 1mnl s ILE 53 Ca 0.00 -1.68 0.00 0.00 -0.51 0.00 0.00 60.65 58.46 1mnl s ILE 53 Cb 0.00 -1.60 0.00 0.00 0.15 0.00 0.00 42.46 41.01 1mnl s ILE 53 CO 0.00 -0.23 0.00 1.17 -2.11 0.00 0.00 174.94 173.77 1mnl n LYS 54 N 0.72 0.00 -4.34 3.50 4.81 -1.26 -3.36 118.16 118.23 1mnl n LYS 54 Ca -0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.09 1mnl n LYS 54 Cb 0.55 -0.09 -0.09 0.00 0.02 0.00 0.00 35.03 35.42 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 -3.95 2.04 -0.49 3.14 0.00 -1.08 0.26 107.32 107.24 1mnl s GLY 55 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 44.72 43.03 1mnl s GLY 55 CO 0.00 -1.60 0.68 2.98 0.00 0.00 0.00 173.10 175.16 1mnl n TYR 56 N -0.58 -3.15 -3.22 1.90 4.19 0.49 -2.54 117.16 114.26 1mnl n TYR 56 Ca 0.01 -1.83 -0.18 0.00 3.31 0.00 0.00 57.90 59.20 1mnl n TYR 56 Cb 0.65 1.22 0.00 0.00 0.49 0.00 0.00 39.34 41.71 1mnl n TYR 56 CO 0.00 0.00 0.00 -1.83 0.91 0.00 0.00 176.86 175.94 1mnl s GLU 57 N 0.62 2.97 0.24 2.98 -1.05 -0.87 -2.66 118.70 120.93 1mnl s GLU 57 Ca 0.31 -1.07 -0.22 0.00 -0.15 0.00 0.00 54.97 53.84 1mnl s GLU 57 Cb 0.05 -2.77 0.04 0.00 -0.44 0.00 0.00 34.13 31.01 1mnl s GLU 57 CO -0.11 -0.13 0.81 1.52 0.95 0.00 0.00 175.26 178.31 1mnl s TYR 58 N -2.29 -0.15 -0.07 4.83 1.13 -0.30 -1.67 117.35 118.83 1mnl s TYR 58 Ca 0.50 -0.27 -0.00 0.00 -1.41 0.00 0.00 57.07 55.89 1mnl s TYR 58 Cb -0.10 0.69 0.02 0.00 -1.10 0.00 0.00 41.96 41.48 1mnl s TYR 58 CO 0.33 -1.11 -0.03 -0.65 -2.51 0.00 0.00 175.55 171.57 1mnl s GLN 59 N -3.59 0.89 -0.66 -3.49 -0.21 -1.10 -2.97 119.66 108.53 1mnl s GLN 59 Ca 0.12 -0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.51 1mnl s GLN 59 Cb -0.04 -1.05 0.21 0.00 1.00 0.00 0.00 33.01 33.13 1mnl s GLN 59 CO 0.06 -0.21 0.62 -0.11 -2.12 0.00 0.00 175.29 173.53 1mnl n LEU 60 N 4.67 3.24 -4.61 2.90 7.94 -1.07 0.17 117.00 130.25 1mnl n LEU 60 Ca -0.15 -5.30 -0.43 0.00 -1.11 0.00 0.00 56.01 49.03 1mnl n LEU 60 Cb 0.50 -0.64 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 1mnl n LEU 60 CO 0.17 1.92 1.43 -0.47 -1.11 0.00 0.00 177.39 179.33 1mnl s TYR 61 N -1.94 1.99 0.00 1.96 5.04 -0.72 -1.64 117.35 122.04 1mnl s TYR 61 Ca 0.33 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 1mnl s TYR 61 Cb 0.06 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1mnl s TYR 61 CO -0.09 -2.90 0.00 1.33 -1.34 0.00 0.00 175.55 172.55 1mnl n VAL 62 N 6.92 0.00 -3.73 3.14 0.24 0.58 -3.13 118.33 122.36 1mnl n VAL 62 Ca 0.20 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.38 1mnl n VAL 62 Cb 0.46 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.13 -0.37 0.00 6.34 5.04 -0.68 -2.04 117.35 123.51 1mnl s TYR 63 Ca 0.00 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.48 1mnl s TYR 63 Cb 0.00 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1mnl s TYR 63 CO 0.00 -0.25 0.00 0.00 -1.34 0.00 0.00 175.55 173.96 1mnl n ALA 64 N 4.18 0.00 -0.00 3.97 0.00 -1.11 -0.04 120.51 127.50 1mnl n ALA 64 Ca -0.25 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.21 1mnl n ALA 64 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 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 0.42 -0.42 0.00 2.88 -1.26 -2.86 113.62 112.38 1mnl n SER 65 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1mnl n SER 65 Cb 0.00 0.88 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 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 -2.67 0.00 -3.93 -3.46 2.03 -1.26 -5.00 116.55 102.26 1mnl n ASP 66 Ca -0.13 -1.38 -0.32 0.00 0.52 0.00 0.00 54.79 53.49 1mnl n ASP 66 Cb 0.82 -0.08 -0.09 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 2.38 -2.05 -0.67 4.81 -1.26 -4.96 118.16 116.42 1mnl n LYS 67 Ca 0.00 -4.52 -0.41 0.00 -0.87 0.00 0.00 58.31 52.51 1mnl n LYS 67 Cb 0.58 -2.35 -0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 1.92 7.47 0.00 3.14 4.77 -1.26 -2.76 117.00 130.29 1mnl n LEU 68 Ca 0.22 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.52 1mnl n LEU 68 Cb 0.36 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1mnl n LEU 68 CO 0.35 1.72 0.00 2.22 -1.33 0.00 0.00 177.39 180.34 1mnl n PHE 69 N 3.09 0.00 -4.07 -1.77 1.16 -0.86 -4.25 117.46 110.75 1mnl n PHE 69 Ca 0.54 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.87 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 1.32 -0.53 3.97 3.52 0.17 0.22 118.95 127.61 1mnl s ARG 70 Ca 0.00 -0.21 -0.28 0.00 -0.13 0.00 0.00 55.73 55.11 1mnl s ARG 70 Cb 0.00 -1.34 0.03 0.00 -1.56 0.00 0.00 34.95 32.08 1mnl s ARG 70 CO 0.00 -0.18 1.15 0.00 -0.81 0.00 0.00 175.30 175.46 1mnl s ALA 71 N 1.40 3.08 0.48 6.12 0.00 -0.65 -2.31 121.76 129.88 1mnl s ALA 71 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 1mnl s ALA 71 Cb -0.13 -3.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.02 1mnl s ALA 71 CO -0.04 -2.46 0.75 0.34 0.00 0.00 0.00 175.76 174.34 1mnl s ASP 72 N 2.72 6.01 -0.30 0.00 -1.08 -0.68 -2.58 116.67 120.76 1mnl s ASP 72 Ca 0.44 0.64 -0.01 0.00 -0.52 0.00 0.00 52.55 53.10 1mnl s ASP 72 Cb -0.08 -1.91 0.19 0.00 -1.46 0.00 0.00 42.92 39.66 1mnl s ASP 72 CO 0.28 -0.68 0.61 -0.51 0.52 0.00 0.00 175.17 175.39 1mnl s ILE 73 N -2.69 -0.99 -0.21 4.11 -1.16 -1.16 0.04 121.20 119.15 1mnl s ILE 73 Ca 0.48 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.58 1mnl s ILE 73 Cb -0.10 -1.00 -0.02 0.00 0.61 0.00 0.00 42.46 41.95 1mnl s ILE 73 CO 0.42 0.00 -0.03 -0.55 -2.81 0.00 0.00 174.94 171.97 1mnl s SER 74 N 2.86 4.49 -0.10 4.50 0.15 -0.50 -1.16 113.70 123.95 1mnl s SER 74 Ca 0.20 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1mnl s SER 74 Cb -0.15 -1.76 0.05 0.00 -1.71 0.00 0.00 66.02 62.45 1mnl s SER 74 CO -0.21 0.02 0.20 -1.61 1.20 0.00 0.00 173.24 172.85 1mnl s GLU 75 N 1.22 0.10 0.00 5.44 2.02 -1.09 -2.35 118.70 124.05 1mnl s GLU 75 Ca 0.03 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.61 1mnl s GLU 75 Cb -0.14 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1mnl s GLU 75 CO -0.00 -0.26 0.00 -3.47 0.02 0.00 0.00 175.26 171.55 1mnl n ASP 76 N 5.02 0.00 0.11 -0.19 -0.08 -1.09 0.19 116.55 120.50 1mnl n ASP 76 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1mnl n ASP 76 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mnl n TYR 77 N 0.00 -3.47 -0.07 -0.67 4.19 0.73 -3.40 117.16 114.48 1mnl n TYR 77 Ca 0.00 0.73 -0.07 0.00 3.31 0.00 0.00 57.90 61.87 1mnl n TYR 77 Cb 0.00 2.08 -0.04 0.00 0.49 0.00 0.00 39.34 41.86 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 -1.48 -3.31 116.57 118.39 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 0.33 0.00 2.41 -2.27 0.00 0.00 179.45 179.92 1mnl n THR 79 N -4.67 0.00 -2.28 1.00 -1.04 -1.26 -4.84 114.28 101.18 1mnl n THR 79 Ca -0.08 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 1mnl n THR 79 Cb 0.24 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.21 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 -0.97 -1.81 0.00 -2.82 5.12 -1.25 -4.85 116.66 110.08 1mnl n ARG 80 Ca 0.20 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 57.02 1mnl n ARG 80 Cb 0.09 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 25.90 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 -0.85 -0.68 0.98 -0.13 0.00 -1.26 -4.77 105.19 98.48 1mnl n GLY 81 Ca -0.21 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 0.17 -3.69 1.61 1.74 -1.26 -4.88 116.66 108.17 1mnl n ARG 82 Ca 0.00 -0.38 -0.11 0.00 -0.77 0.00 0.00 57.85 56.59 1mnl n ARG 82 Cb 0.00 0.51 -0.11 0.00 -1.02 0.00 0.00 32.46 31.84 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 -2.01 0.30 0.10 5.56 1.02 -1.25 -2.68 119.74 120.78 1mnl s LYS 83 Ca 0.06 0.80 -0.26 0.00 0.02 0.00 0.00 55.97 56.59 1mnl s LYS 83 Cb -0.01 0.05 0.09 0.00 -0.52 0.00 0.00 37.83 37.44 1mnl s LYS 83 CO 0.01 -0.21 1.11 -1.17 -0.92 0.00 0.00 175.35 174.17 1mnl s LEU 84 N 1.87 -0.07 0.28 3.17 2.96 -0.99 -4.99 118.68 120.91 1mnl s LEU 84 Ca -0.06 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 1mnl s LEU 84 Cb -0.10 1.84 0.01 0.00 0.50 0.00 0.00 46.19 48.43 1mnl s LEU 84 CO -0.11 -0.71 0.56 -1.48 -1.32 0.00 0.00 176.35 173.29 1mnl s LEU 85 N -3.20 0.23 0.00 -0.68 2.34 -1.26 -1.41 118.68 114.70 1mnl s LEU 85 Ca 0.18 -0.93 0.06 0.00 0.06 0.00 0.00 54.13 53.50 1mnl s LEU 85 Cb -0.00 2.05 -0.02 0.00 -0.56 0.00 0.00 46.19 47.66 1mnl s LEU 85 CO 0.01 -1.25 0.23 0.54 -1.06 0.00 0.00 176.35 174.82 1mnl n ARG 86 N -0.43 0.33 -2.89 1.48 1.74 0.11 -4.82 116.66 112.18 1mnl n ARG 86 Ca -0.02 -2.70 -0.12 0.00 -0.77 0.00 0.00 57.85 54.23 1mnl n ARG 86 Cb 0.61 2.22 0.04 0.00 -1.02 0.00 0.00 32.46 34.31 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 -0.51 -2.02 -1.98 -1.55 3.01 -1.24 -1.68 117.46 111.49 1mnl n PHE 87 Ca 0.06 -2.59 0.00 0.00 1.01 0.00 0.00 57.45 55.94 1mnl n PHE 87 Cb 0.49 0.94 0.00 0.00 -0.01 0.00 0.00 39.48 40.90 1mnl n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1mnl n ASN 88 N 0.74 0.00 -2.48 4.37 3.02 -0.98 -4.74 115.26 115.19 1mnl n ASN 88 Ca 0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 1mnl n ASN 88 Cb 0.66 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.11 2.82 7.41 0.00 -1.26 0.44 105.19 114.50 1mnl n GLY 89 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.80 -3.01 0.00 1.61 -0.04 -1.26 -3.88 135.00 125.62 1mnl n PRO 90 Ca -0.14 -1.39 0.08 0.00 -0.04 0.00 0.00 63.50 62.00 1mnl n PRO 90 Cb 0.60 -1.37 0.46 0.00 -0.04 0.00 0.00 33.50 33.15 1mnl n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79