#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 1.55 0.52 1.61 4.04 -0.16 -5.00 118.70 121.25 1mnl s GLU 2 Ca 0.00 -1.74 0.03 0.00 0.04 0.00 0.00 54.97 53.30 1mnl s GLU 2 Cb 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 34.13 32.79 1mnl s GLU 2 CO 0.00 0.17 0.17 1.67 -1.84 0.00 0.00 175.26 175.42 1mnl s TRP 3 N -2.83 1.83 0.00 4.83 -2.14 -1.26 -1.30 118.94 118.08 1mnl s TRP 3 Ca 0.28 -0.89 0.00 0.00 2.66 0.00 0.00 56.10 58.15 1mnl s TRP 3 Cb 0.00 -1.75 0.00 0.00 -3.10 0.00 0.00 33.47 28.62 1mnl s TRP 3 CO 0.12 -0.04 0.00 -1.91 -2.66 0.00 0.00 176.95 172.46 1mnl n GLU 4 N -1.45 0.00 -2.19 3.25 2.13 0.53 -4.87 120.64 118.04 1mnl n GLU 4 Ca -0.11 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.45 1mnl n GLU 4 Cb 0.66 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.44 1mnl n GLU 4 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1mnl s ILE 5 N 0.00 2.25 0.00 6.31 -4.36 -1.26 0.20 121.20 124.34 1mnl s ILE 5 Ca 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.13 1mnl s ILE 5 Cb 0.00 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1mnl s ILE 5 CO 0.00 0.00 0.00 2.30 0.24 0.00 0.00 174.94 177.48 1mnl n ILE 6 N -2.95 0.00 -2.64 8.37 -0.00 -1.18 -4.75 119.36 116.21 1mnl n ILE 6 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.72 1mnl n ILE 6 Cb 0.60 -1.53 0.03 0.00 -0.00 0.00 0.00 39.64 38.74 1mnl n ILE 6 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1mnl n ASP 7 N -1.82 1.91 -4.40 7.28 9.92 -1.26 -4.96 116.55 123.22 1mnl n ASP 7 Ca 0.00 -2.83 -0.36 0.00 -0.53 0.00 0.00 54.79 51.08 1mnl n ASP 7 Cb 0.00 -0.52 -0.09 0.00 -0.64 0.00 0.00 41.12 39.87 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 -0.14 -0.60 0.18 0.53 3.06 -1.26 -4.55 119.36 116.58 1mnl n ILE 8 Ca 0.13 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 1mnl n ILE 8 Cb 0.80 -0.80 0.00 0.00 0.54 0.00 0.00 39.64 40.18 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 -1.97 -1.53 0.00 4.50 0.00 -1.26 -4.95 105.19 99.98 1mnl n GLY 9 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.28 0.00 -0.57 1.61 -0.04 -1.26 -3.13 135.00 128.33 1mnl n PRO 10 Ca 0.00 0.00 0.47 0.00 -0.04 0.00 0.00 63.50 63.93 1mnl n PRO 10 Cb 0.00 -0.46 0.75 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.00 0.39 0.54 0.04 -1.96 0.66 116.94 116.61 1mnl h PHE 11 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1mnl h PHE 11 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1mnl h PHE 11 CO 0.00 0.00 -0.42 1.79 -0.60 0.00 0.00 178.31 179.08 1mnl h THR 12 N 0.00 0.15 0.00 -1.55 1.35 -1.90 2.04 112.91 113.00 1mnl h THR 12 Ca 0.81 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.67 1mnl h THR 12 Cb 3.40 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1mnl h THR 12 CO -0.01 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.82 1mnl h GLN 13 N -0.84 0.00 0.00 4.72 4.20 0.31 -3.10 115.11 120.40 1mnl h GLN 13 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1mnl h GLN 13 Cb 0.75 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1mnl h GLN 13 CO -0.08 0.00 -0.06 -0.97 -0.67 0.00 0.00 178.83 177.05 1mnl h ASN 14 N 0.00 0.00 -0.96 1.46 -0.73 0.75 -2.97 115.58 113.13 1mnl h ASN 14 Ca 0.00 -0.26 0.27 0.00 1.87 0.00 0.00 56.30 58.17 1mnl h ASN 14 Cb 0.36 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 38.77 1mnl h ASN 14 CO 0.00 0.66 0.03 -0.11 -0.37 0.00 0.00 177.43 177.64 1mnl n LEU 15 N -4.72 -0.11 -0.23 0.34 0.00 0.67 0.25 117.00 113.20 1mnl n LEU 15 Ca -0.04 1.63 -0.08 0.00 0.00 0.00 0.00 56.01 57.52 1mnl n LEU 15 Cb 0.15 -0.59 0.03 0.00 0.00 0.00 0.00 43.42 43.01 1mnl n LEU 15 CO 0.10 -1.65 0.89 1.23 0.00 0.00 0.00 177.39 177.96 1mnl h GLY 16 N 0.00 1.16 0.01 -3.96 0.00 -1.65 -1.35 103.07 97.28 1mnl h GLY 16 Ca 0.58 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1mnl h GLY 16 CO -0.90 0.72 -0.00 0.50 0.00 0.00 0.00 176.54 176.86 1mnl h LYS 17 N 0.99 -0.01 -0.97 4.80 6.56 0.35 -2.95 116.57 125.35 1mnl h LYS 17 Ca 0.20 0.00 0.25 0.00 -1.06 0.00 0.00 60.65 60.03 1mnl h LYS 17 Cb 0.44 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 31.93 1mnl h LYS 17 CO 0.01 -0.01 -0.03 0.74 -2.06 0.00 0.00 179.45 178.11 1mnl h PHE 18 N -0.06 -0.14 0.00 -1.35 -1.00 0.12 -0.81 116.94 113.69 1mnl h PHE 18 Ca -0.00 0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1mnl h PHE 18 Cb 0.01 0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1mnl h PHE 18 CO 0.03 -0.42 0.00 0.00 -1.61 0.00 0.00 178.31 176.31 1mnl n ALA 19 N -3.21 -0.11 -0.38 2.45 0.00 -0.51 0.57 120.51 119.32 1mnl n ALA 19 Ca 0.21 0.00 0.35 0.00 0.00 0.00 0.00 53.44 54.00 1mnl n ALA 19 Cb 0.68 0.04 0.54 0.00 0.00 0.00 0.00 19.45 20.71 1mnl n ALA 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1mnl n VAL 20 N -0.94 0.00 0.00 0.00 3.14 -0.94 0.20 118.33 119.79 1mnl n VAL 20 Ca 0.00 1.24 0.00 0.00 -2.96 0.00 0.00 64.34 62.62 1mnl n VAL 20 Cb 0.00 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 30.62 1mnl n VAL 20 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1mnl n ASP 21 N -3.35 0.00 -0.21 6.55 9.92 -0.35 -2.56 116.55 126.55 1mnl n ASP 21 Ca 0.29 0.06 0.09 0.00 -0.53 0.00 0.00 54.79 54.71 1mnl n ASP 21 Cb 1.59 -0.11 0.38 0.00 -0.64 0.00 0.00 41.12 42.34 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 0.00 0.67 0.18 -1.24 4.39 0.49 2.00 114.58 121.07 1mnl h GLU 22 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1mnl h GLU 22 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1mnl h GLU 22 CO 0.00 0.45 -0.09 1.49 -1.16 0.00 0.00 179.01 179.70 1mnl h GLU 23 N 0.69 -0.24 -0.34 2.33 4.81 0.22 1.53 114.58 123.59 1mnl h GLU 23 Ca 0.36 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1mnl h GLU 23 Cb 0.48 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1mnl h GLU 23 CO -0.14 0.02 -0.03 -0.97 -0.73 0.00 0.00 179.01 177.17 1mnl h ASN 24 N -0.49 0.62 -0.84 1.04 -0.73 -1.05 0.38 115.58 114.52 1mnl h ASN 24 Ca -0.03 -0.33 0.01 0.00 1.87 0.00 0.00 56.30 57.83 1mnl h ASN 24 Cb 0.37 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 1mnl h ASN 24 CO 0.04 0.80 0.55 0.50 -0.37 0.00 0.00 177.43 178.95 1mnl h LYS 25 N 0.42 1.09 0.00 6.67 3.64 0.33 -0.43 116.57 128.28 1mnl h LYS 25 Ca 0.09 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1mnl h LYS 25 Cb 0.50 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1mnl h LYS 25 CO 0.02 0.72 0.00 0.97 -2.27 0.00 0.00 179.45 178.89 1mnl h ILE 26 N 1.12 0.00 0.00 2.00 6.09 0.25 -3.45 117.51 123.51 1mnl h ILE 26 Ca 0.31 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1mnl h ILE 26 Cb -0.10 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1mnl h ILE 26 CO -0.08 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.61 1mnl n GLY 27 N -0.07 0.80 2.78 8.18 0.00 -0.18 -5.05 105.19 111.65 1mnl n GLY 27 Ca 0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1mnl n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mnl s GLN 28 N 0.08 0.98 -0.41 1.61 -1.52 0.12 -4.94 119.66 115.59 1mnl s GLN 28 Ca 0.00 -1.07 0.05 0.00 -1.95 0.00 0.00 55.36 52.39 1mnl s GLN 28 Cb 0.00 -0.26 0.61 0.00 -0.22 0.00 0.00 33.01 33.14 1mnl s GLN 28 CO 0.00 -1.31 1.78 2.48 -0.25 0.00 0.00 175.29 178.00 1mnl n TYR 29 N 3.25 2.49 -0.33 0.91 4.11 -1.26 -2.73 117.16 123.60 1mnl n TYR 29 Ca 0.18 -1.82 0.08 0.00 -0.00 0.00 0.00 57.90 56.35 1mnl n TYR 29 Cb 0.54 -0.83 0.18 0.00 -0.00 0.00 0.00 39.34 39.24 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1mnl n GLY 30 N -1.13 -1.47 0.00 -7.48 0.00 -1.26 -4.83 105.19 89.02 1mnl n GLY 30 Ca 0.52 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.51 1mnl n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 31 N -5.47 0.00 -4.23 1.61 1.74 -1.26 -5.15 116.66 103.90 1mnl n ARG 31 Ca 0.17 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1mnl n ARG 31 Cb 0.55 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.89 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1mnl s LEU 32 N 0.00 2.50 -0.41 0.55 0.05 -1.26 -4.97 118.68 115.15 1mnl s LEU 32 Ca 0.00 -0.97 0.11 0.00 0.05 0.00 0.00 54.13 53.32 1mnl s LEU 32 Cb 0.00 -0.34 0.41 0.00 -2.05 0.00 0.00 46.19 44.22 1mnl s LEU 32 CO 0.00 -0.32 0.98 0.35 -0.55 0.00 0.00 176.35 176.81 1mnl n THR 33 N -0.02 1.62 -2.68 5.48 -2.24 -1.26 -4.40 114.28 110.78 1mnl n THR 33 Ca -0.12 -4.29 -0.05 0.00 -2.27 0.00 0.00 64.05 57.32 1mnl n THR 33 Cb 0.60 -0.45 0.10 0.00 -2.10 0.00 0.00 70.33 68.48 1mnl n THR 33 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1mnl n PHE 34 N -0.19 -1.09 -0.05 4.78 -1.74 -1.26 -4.03 117.46 113.88 1mnl n PHE 34 Ca 0.25 -1.06 -0.01 0.00 -0.56 0.00 0.00 57.45 56.07 1mnl n PHE 34 Cb 0.68 1.28 -0.11 0.00 1.52 0.00 0.00 39.48 42.84 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1mnl n ASN 35 N 0.72 1.52 0.00 5.98 5.15 -1.20 -4.90 115.26 122.53 1mnl n ASN 35 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1mnl n ASN 35 Cb 0.73 1.17 0.00 0.00 -0.53 0.00 0.00 39.78 41.15 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 -2.33 0.00 -3.84 1.20 4.01 -0.79 -4.95 118.16 111.47 1mnl n LYS 36 Ca -0.15 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.57 1mnl n LYS 36 Cb 0.74 -0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.26 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 -0.45 -0.18 1.01 0.36 -4.99 120.40 116.15 1mnl s VAL 37 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1mnl s VAL 37 Cb 0.00 -2.28 0.16 0.00 0.00 0.00 0.00 36.38 34.26 1mnl s VAL 37 CO 0.00 0.00 0.34 -0.51 0.00 0.00 0.00 175.10 174.93 1mnl s ILE 38 N -3.38 0.84 -0.17 2.22 2.07 -1.26 -1.72 121.20 119.79 1mnl s ILE 38 Ca 0.13 -2.78 -0.15 0.00 -1.41 0.00 0.00 60.65 56.43 1mnl s ILE 38 Cb -0.06 -1.58 -0.06 0.00 0.13 0.00 0.00 42.46 40.89 1mnl s ILE 38 CO 0.08 -1.13 -0.32 0.54 -1.91 0.00 0.00 174.94 172.21 1mnl n ARG 39 N 2.94 0.49 -0.87 3.50 3.00 -1.26 -4.58 116.66 119.88 1mnl n ARG 39 Ca 0.23 0.20 -0.09 0.00 -0.01 0.00 0.00 57.85 58.18 1mnl n ARG 39 Cb 0.43 -1.35 -0.13 0.00 0.00 0.00 0.00 32.46 31.41 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1mnl n PRO 40 N -4.31 1.73 -3.78 5.56 -0.04 -1.12 -4.84 135.00 128.20 1mnl n PRO 40 Ca -0.20 -0.77 -0.36 0.00 -0.04 0.00 0.00 63.50 62.13 1mnl n PRO 40 Cb 0.54 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.44 1.83 -0.07 0.00 -1.94 0.14 -3.10 119.30 117.60 1mnl s MET 42 Ca 0.06 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.50 1mnl s MET 42 Cb -0.15 -1.93 0.01 0.00 2.01 0.00 0.00 34.83 34.77 1mnl s MET 42 CO 0.05 0.37 -0.12 0.21 -0.01 0.00 0.00 175.02 175.51 1mnl s LYS 43 N -3.23 1.73 -0.08 2.03 2.36 0.53 -1.15 119.74 121.93 1mnl s LYS 43 Ca 0.27 -0.42 0.01 0.00 -2.55 0.00 0.00 55.97 53.28 1mnl s LYS 43 Cb -0.07 -1.43 0.02 0.00 -1.05 0.00 0.00 37.83 35.30 1mnl s LYS 43 CO 0.15 0.02 -0.08 0.15 1.55 0.00 0.00 175.35 177.15 1mnl s LYS 44 N 0.68 1.34 0.28 4.03 1.02 -1.07 0.20 119.74 126.22 1mnl s LYS 44 Ca -0.14 -0.24 0.07 0.00 0.02 0.00 0.00 55.97 55.68 1mnl s LYS 44 Cb -0.16 -1.30 -0.06 0.00 -0.52 0.00 0.00 37.83 35.79 1mnl s LYS 44 CO 0.04 -0.13 -0.06 0.99 -0.92 0.00 0.00 175.35 175.26 1mnl s THR 45 N 1.21 1.71 -0.41 2.17 2.01 -0.42 -2.60 115.64 119.32 1mnl s THR 45 Ca -0.05 -2.14 0.10 0.00 0.31 0.00 0.00 61.69 59.91 1mnl s THR 45 Cb -0.14 -2.46 0.42 0.00 0.01 0.00 0.00 72.50 70.33 1mnl s THR 45 CO -0.02 -0.30 1.03 0.00 -0.69 0.00 0.00 174.62 174.64 1mnl n ILE 46 N -0.60 1.85 0.00 1.82 0.13 -1.19 -0.99 119.36 120.38 1mnl n ILE 46 Ca -0.05 -4.34 0.00 0.00 -1.10 0.00 0.00 62.75 57.25 1mnl n ILE 46 Cb 0.63 -0.59 0.00 0.00 -0.84 0.00 0.00 39.64 38.84 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 -0.29 -0.52 0.00 9.51 0.18 -1.20 -2.90 117.16 121.94 1mnl n TYR 47 Ca 0.28 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.06 1mnl n TYR 47 Cb 0.69 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.65 1mnl n TYR 47 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1mnl n GLU 48 N 0.00 2.63 0.00 -3.48 0.28 -1.26 -4.32 120.64 114.49 1mnl n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1mnl n GLU 48 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1mnl n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1mnl n ASN 49 N 0.00 0.00 0.00 -1.84 5.15 -1.26 -4.95 115.26 112.36 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 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -1.08 1.56 -0.22 1.20 4.07 -1.26 -4.98 120.64 119.93 1mnl n GLU 50 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1mnl n GLU 50 Cb 0.00 -0.74 -0.00 0.00 -0.06 0.00 0.00 31.44 30.64 1mnl n GLU 50 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1mnl n ARG 51 N -1.34 0.00 0.00 5.31 -4.01 -1.26 -5.15 116.66 110.21 1mnl n ARG 51 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 1mnl n ARG 51 Cb 0.24 0.02 0.00 0.00 -3.04 0.00 0.00 32.46 29.68 1mnl n ARG 51 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1mnl n GLU 52 N 0.00 3.95 -3.64 2.89 1.02 -1.26 -5.09 120.64 118.50 1mnl n GLU 52 Ca -0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1mnl n GLU 52 Cb 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.56 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mnl s ILE 53 N 2.28 0.00 0.00 -3.67 1.09 -1.26 -4.27 121.20 115.36 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -0.10 0.00 0.00 174.94 175.13 1mnl n LYS 54 N 3.56 0.00 -2.33 2.79 5.02 -1.26 -3.22 118.16 122.73 1mnl n LYS 54 Ca -0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.07 1mnl n LYS 54 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 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 3.33 2.03 3.15 0.72 0.00 -1.14 0.23 105.19 113.51 1mnl n GLY 55 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 -5.35 -1.44 0.45 1.61 6.14 0.56 -3.15 117.35 116.16 1mnl s TYR 56 Ca 0.09 1.50 0.03 0.00 0.64 0.00 0.00 57.07 59.33 1mnl s TYR 56 Cb -0.01 0.50 -0.02 0.00 0.42 0.00 0.00 41.96 42.84 1mnl s TYR 56 CO 0.07 -0.79 0.08 -1.83 0.64 0.00 0.00 175.55 173.71 1mnl s GLU 57 N 2.87 2.03 0.22 4.97 4.04 -1.07 -0.40 118.70 131.37 1mnl s GLU 57 Ca 0.17 -2.26 -0.22 0.00 0.04 0.00 0.00 54.97 52.71 1mnl s GLU 57 Cb -0.14 -0.98 0.06 0.00 0.02 0.00 0.00 34.13 33.10 1mnl s GLU 57 CO -0.20 -0.42 0.94 1.52 -1.84 0.00 0.00 175.26 175.26 1mnl s TYR 58 N -3.07 -0.01 -0.10 4.83 1.13 0.79 -2.59 117.35 118.34 1mnl s TYR 58 Ca 0.18 -0.42 0.01 0.00 -1.41 0.00 0.00 57.07 55.42 1mnl s TYR 58 Cb 0.02 0.71 0.02 0.00 -1.10 0.00 0.00 41.96 41.61 1mnl s TYR 58 CO 0.10 -1.05 -0.12 -1.14 -2.51 0.00 0.00 175.55 170.83 1mnl s GLN 59 N -2.71 1.84 -0.64 -3.49 0.74 -0.30 -2.92 119.66 112.17 1mnl s GLN 59 Ca 0.16 -0.42 0.06 0.00 0.05 0.00 0.00 55.36 55.21 1mnl s GLN 59 Cb -0.03 -1.64 0.27 0.00 1.10 0.00 0.00 33.01 32.71 1mnl s GLN 59 CO 0.06 -0.10 0.82 -0.11 -0.55 0.00 0.00 175.29 175.40 1mnl n LEU 60 N 4.32 4.02 -4.59 3.68 7.94 -1.03 0.27 117.00 131.61 1mnl n LEU 60 Ca -0.18 -5.50 -0.42 0.00 -1.11 0.00 0.00 56.01 48.79 1mnl n LEU 60 Cb 0.51 -0.66 -0.03 0.00 0.53 0.00 0.00 43.42 43.78 1mnl n LEU 60 CO 0.22 2.12 1.48 -0.47 -1.11 0.00 0.00 177.39 179.64 1mnl s TYR 61 N -2.74 1.90 0.00 1.96 6.14 -0.79 -1.38 117.35 122.45 1mnl s TYR 61 Ca 0.42 0.65 0.00 0.00 0.64 0.00 0.00 57.07 58.78 1mnl s TYR 61 Cb 0.18 -4.16 0.00 0.00 0.42 0.00 0.00 41.96 38.40 1mnl s TYR 61 CO -0.04 -2.70 0.00 1.33 0.64 0.00 0.00 175.55 174.78 1mnl n VAL 62 N 7.33 0.00 -3.56 3.14 0.24 0.82 -2.75 118.33 123.55 1mnl n VAL 62 Ca 0.21 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.45 1mnl n VAL 62 Cb 0.48 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.77 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 -1.75 -0.98 0.00 6.34 5.04 -0.70 -2.10 117.35 123.20 1mnl s TYR 63 Ca 0.00 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1mnl s TYR 63 Cb 0.00 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.68 1mnl s TYR 63 CO 0.00 -0.59 0.00 0.00 -1.34 0.00 0.00 175.55 173.62 1mnl n ALA 64 N 5.40 0.00 0.00 3.97 0.00 -1.20 -0.49 120.51 128.20 1mnl n ALA 64 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mnl n ALA 64 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 4.99 0.00 0.00 2.88 -1.26 -1.88 113.62 118.36 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 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1mnl n SER 65 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1mnl n ASP 66 N -1.83 0.18 -4.15 -3.46 5.68 -1.26 -4.97 116.55 106.73 1mnl n ASP 66 Ca 0.00 -1.06 -0.39 0.00 -0.50 0.00 0.00 54.79 52.84 1mnl n ASP 66 Cb 0.34 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1mnl s LYS 67 N -0.06 3.08 -1.35 0.11 2.36 -1.26 -4.96 119.74 117.65 1mnl s LYS 67 Ca 0.00 -2.82 -0.07 0.00 -2.55 0.00 0.00 55.97 50.53 1mnl s LYS 67 Cb 0.00 -3.97 0.10 0.00 -1.05 0.00 0.00 37.83 32.91 1mnl s LYS 67 CO 0.00 -1.23 2.36 -0.11 1.55 0.00 0.00 175.35 177.92 1mnl n LEU 68 N 3.12 7.88 0.00 5.43 7.94 -1.26 -3.21 117.00 136.89 1mnl n LEU 68 Ca 0.14 -4.78 0.00 0.00 -1.11 0.00 0.00 56.01 50.27 1mnl n LEU 68 Cb 0.39 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1mnl n LEU 68 CO 0.35 1.93 0.00 2.22 -1.11 0.00 0.00 177.39 180.78 1mnl n PHE 69 N 2.38 0.00 -4.46 1.96 1.16 -0.89 -2.50 117.46 115.10 1mnl n PHE 69 Ca 0.60 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.95 1mnl n PHE 69 Cb 0.27 0.00 -0.13 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 1.15 -0.45 3.97 3.52 -0.87 0.29 118.95 126.56 1mnl s ARG 70 Ca 0.00 -0.91 -0.09 0.00 -0.13 0.00 0.00 55.73 54.60 1mnl s ARG 70 Cb 0.00 -1.25 0.10 0.00 -1.56 0.00 0.00 34.95 32.24 1mnl s ARG 70 CO 0.00 0.31 0.31 0.00 -0.81 0.00 0.00 175.30 175.11 1mnl s ALA 71 N -0.90 3.35 0.43 6.12 0.00 -0.48 -2.36 121.76 127.93 1mnl s ALA 71 Ca 0.05 -2.35 -0.12 0.00 0.00 0.00 0.00 51.96 49.54 1mnl s ALA 71 Cb -0.09 -2.75 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 1mnl s ALA 71 CO 0.02 -1.78 0.82 0.34 0.00 0.00 0.00 175.76 175.16 1mnl s ASP 72 N 2.41 6.53 -0.17 0.00 -1.08 -0.07 -2.47 116.67 121.83 1mnl s ASP 72 Ca 0.04 1.23 -0.22 0.00 -0.52 0.00 0.00 52.55 53.09 1mnl s ASP 72 Cb -0.25 -2.37 0.06 0.00 -1.46 0.00 0.00 42.92 38.90 1mnl s ASP 72 CO 0.01 -0.45 0.57 -0.51 0.52 0.00 0.00 175.17 175.31 1mnl s ILE 73 N -2.45 0.01 0.17 4.11 -1.16 -1.15 0.94 121.20 121.67 1mnl s ILE 73 Ca 0.53 -0.05 0.06 0.00 -0.51 0.00 0.00 60.65 60.69 1mnl s ILE 73 Cb -0.10 -0.82 -0.04 0.00 0.61 0.00 0.00 42.46 42.10 1mnl s ILE 73 CO 0.32 -0.03 -0.13 -0.55 -2.81 0.00 0.00 174.94 171.74 1mnl s SER 74 N -0.12 2.25 -0.30 4.50 0.15 0.10 -0.15 113.70 120.14 1mnl s SER 74 Ca -0.03 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 55.58 1mnl s SER 74 Cb -0.03 -0.09 0.19 0.00 -1.71 0.00 0.00 66.02 64.38 1mnl s SER 74 CO 0.03 -0.22 0.84 -0.70 1.20 0.00 0.00 173.24 174.39 1mnl s GLU 75 N -3.53 0.35 0.00 5.44 -6.30 0.47 -2.87 118.70 112.25 1mnl s GLU 75 Ca 0.19 0.48 0.00 0.00 -2.50 0.00 0.00 54.97 53.14 1mnl s GLU 75 Cb -0.00 0.25 0.00 0.00 0.00 0.00 0.00 34.13 34.38 1mnl s GLU 75 CO 0.04 -0.51 0.00 -0.40 0.02 0.00 0.00 175.26 174.41 1mnl n ASP 76 N 5.36 -0.91 0.08 -1.70 5.75 0.27 0.21 116.55 125.61 1mnl n ASP 76 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1mnl n ASP 76 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mnl n TYR 77 N -1.94 -3.22 0.00 2.11 4.19 0.64 -4.18 117.16 114.76 1mnl n TYR 77 Ca 0.00 0.56 0.00 0.00 3.31 0.00 0.00 57.90 61.77 1mnl n TYR 77 Cb 0.00 1.70 0.00 0.00 0.49 0.00 0.00 39.34 41.53 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 -2.82 0.02 0.04 2.98 3.00 -0.78 -4.86 118.16 115.74 1mnl n LYS 78 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1mnl n LYS 78 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 35.03 34.39 1mnl n LYS 78 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1mnl h THR 79 N 0.00 0.00 0.00 3.15 1.35 -1.69 -3.49 112.91 112.24 1mnl h THR 79 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1mnl h THR 79 Cb 0.24 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 1mnl h THR 79 CO 0.00 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.16 1mnl n ARG 80 N -4.43 0.00 0.00 4.72 -4.01 -1.26 -5.11 116.66 106.57 1mnl n ARG 80 Ca -0.02 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 1mnl n ARG 80 Cb 0.07 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.49 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1mnl n GLY 81 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.63 105.19 102.19 1mnl n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mnl n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 82 N 0.00 0.00 -2.98 1.61 1.74 -1.26 -4.64 116.66 111.13 1mnl n ARG 82 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1mnl n ARG 82 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.59 0.56 0.00 5.56 1.02 -1.24 0.95 119.74 126.01 1mnl s LYS 83 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1mnl s LYS 83 Cb 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1mnl s LYS 83 CO 0.00 -0.80 0.00 -0.11 -0.92 0.00 0.00 175.35 173.52 1mnl n LEU 84 N 3.94 0.00 -3.75 3.17 7.94 -1.14 -4.92 117.00 122.24 1mnl n LEU 84 Ca 0.09 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.98 1mnl n LEU 84 Cb 0.60 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.54 1mnl n LEU 84 CO -0.05 0.00 0.89 -1.48 -1.11 0.00 0.00 177.39 175.64 1mnl s LEU 85 N 0.00 -0.09 0.35 -1.96 2.34 -1.25 0.01 118.68 118.08 1mnl s LEU 85 Ca 0.00 -0.35 -0.03 0.00 0.06 0.00 0.00 54.13 53.81 1mnl s LEU 85 Cb 0.00 1.81 0.01 0.00 -0.56 0.00 0.00 46.19 47.45 1mnl s LEU 85 CO 0.00 -0.66 0.49 -0.13 -1.06 0.00 0.00 176.35 174.99 1mnl s ARG 86 N -2.68 1.93 -0.49 1.48 0.52 0.27 -4.84 118.95 115.14 1mnl s ARG 86 Ca 0.16 -1.75 0.06 0.00 -0.52 0.00 0.00 55.73 53.68 1mnl s ARG 86 Cb 0.01 0.45 0.18 0.00 0.52 0.00 0.00 34.95 36.11 1mnl s ARG 86 CO 0.00 -0.81 0.63 -0.06 0.02 0.00 0.00 175.30 175.09 1mnl s PHE 87 N -3.01 -1.01 0.00 -0.53 0.40 -1.24 -0.89 117.98 111.70 1mnl s PHE 87 Ca 0.30 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1mnl s PHE 87 Cb -0.01 0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.56 1mnl s PHE 87 CO 0.20 -1.17 0.00 0.27 0.70 0.00 0.00 175.22 175.22 1mnl n ASN 88 N 3.04 0.00 -1.41 1.36 6.94 -0.99 -4.90 115.26 119.29 1mnl n ASN 88 Ca 0.20 -0.33 -0.02 0.00 -0.02 0.00 0.00 54.58 54.41 1mnl n ASN 88 Cb 0.54 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.97 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mnl n GLY 89 N 0.00 0.46 3.66 4.83 0.00 -1.26 -2.05 105.19 110.82 1mnl n GLY 89 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.83 4.11 0.00 1.61 0.04 -1.26 -4.37 135.00 131.30 1mnl s PRO 90 Ca 0.02 2.54 0.16 0.00 0.04 0.00 0.00 61.00 63.75 1mnl s PRO 90 Cb -0.00 -4.15 0.94 0.00 0.04 0.00 0.00 34.50 31.33 1mnl s PRO 90 CO 0.08 -0.98 1.35 1.55 0.04 0.00 0.00 177.00 179.05