#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lou s ARG 2 N 0.00 0.91 -0.15 0.03 0.52 -0.48 -4.90 118.95 114.89 1lou s ARG 2 Ca 0.00 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 1lou s ARG 2 Cb 0.00 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 1lou s ARG 2 CO 0.00 -0.32 0.08 0.50 0.02 0.00 0.00 175.30 175.59 1lou s ARG 3 N -3.73 3.64 0.07 3.54 3.52 -1.26 -1.01 118.95 123.72 1lou s ARG 3 Ca 0.03 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 1lou s ARG 3 Cb 0.03 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1lou s ARG 3 CO -0.11 0.52 -0.06 0.71 -0.81 0.00 0.00 175.30 175.54 1lou s TYR 4 N -0.31 0.77 -0.15 5.12 2.02 0.18 -1.38 117.35 123.59 1lou s TYR 4 Ca 0.09 -0.79 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1lou s TYR 4 Cb -0.12 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1lou s TYR 4 CO 0.01 -0.15 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.59 1lou s GLU 5 N -3.09 3.62 -0.23 -0.62 2.02 0.12 -1.60 118.70 118.92 1lou s GLU 5 Ca 0.04 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 1lou s GLU 5 Cb 0.00 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1lou s GLU 5 CO -0.04 0.27 -0.02 0.08 0.02 0.00 0.00 175.26 175.58 1lou s VAL 6 N 0.27 3.55 -0.21 2.63 1.01 -0.14 -1.02 120.40 126.49 1lou s VAL 6 Ca -0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1lou s VAL 6 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1lou s VAL 6 CO 0.03 0.41 -0.00 0.20 0.00 0.00 0.00 175.10 175.74 1lou s ASN 7 N 1.50 4.72 -0.08 3.32 0.01 0.54 -1.38 114.94 123.58 1lou s ASN 7 Ca 0.06 -0.26 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 1lou s ASN 7 Cb -0.14 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.70 1lou s ASN 7 CO -0.02 0.03 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.75 1lou s ILE 8 N 1.22 1.87 -0.12 0.60 1.01 -0.26 -1.26 121.20 124.26 1lou s ILE 8 Ca 0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1lou s ILE 8 Cb -0.15 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1lou s ILE 8 CO 0.01 0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 174.71 1lou s VAL 9 N 0.20 3.64 0.29 2.92 1.01 -0.08 -0.59 120.40 127.80 1lou s VAL 9 Ca -0.12 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 61.50 1lou s VAL 9 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1lou s VAL 9 CO 0.06 0.53 -0.09 -0.76 0.00 0.00 0.00 175.10 174.84 1lou s LEU 10 N -0.02 2.85 -0.18 3.92 1.43 0.48 -0.04 118.68 127.12 1lou s LEU 10 Ca -0.00 -0.93 -0.38 0.00 -1.03 0.00 0.00 54.13 51.79 1lou s LEU 10 Cb -0.14 -1.32 -0.14 0.00 0.03 0.00 0.00 46.19 44.63 1lou s LEU 10 CO 0.03 -0.05 1.78 -3.20 0.23 0.00 0.00 176.35 175.14 1lou n ASN 11 N -0.78 2.78 0.16 2.29 2.85 -0.46 -0.61 115.26 121.49 1lou n ASN 11 Ca -0.05 1.04 0.12 0.00 -0.11 0.00 0.00 54.58 55.58 1lou n ASN 11 Cb 0.60 -1.24 0.56 0.00 1.24 0.00 0.00 39.78 40.95 1lou n ASN 11 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1lou h PRO 12 N 7.84 0.00 -0.71 1.20 0.13 -1.89 -3.32 132.00 135.25 1lou h PRO 12 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1lou h PRO 12 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1lou h PRO 12 CO 0.95 0.00 0.03 0.09 -0.23 0.00 0.00 178.00 178.84 1lou n ASN 13 N -2.32 4.43 -4.82 1.44 3.02 -1.26 -4.92 115.26 110.84 1lou n ASN 13 Ca 0.01 -2.72 -0.34 0.00 -0.03 0.00 0.00 54.58 51.49 1lou n ASN 13 Cb 0.15 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 1lou n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lou s LEU 14 N -2.06 4.07 0.94 3.41 1.43 -1.25 -5.07 118.68 120.15 1lou s LEU 14 Ca 0.40 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1lou s LEU 14 Cb 0.31 -4.29 0.15 0.00 0.03 0.00 0.00 46.19 42.39 1lou s LEU 14 CO 0.11 -0.25 1.09 -1.81 0.23 0.00 0.00 176.35 175.73 1lou s ASP 15 N -2.05 3.12 0.36 2.29 1.01 -1.26 -4.83 116.67 115.30 1lou s ASP 15 Ca 0.57 1.32 0.09 0.00 0.71 0.00 0.00 52.55 55.24 1lou s ASP 15 Cb -0.12 -2.00 0.69 0.00 1.01 0.00 0.00 42.92 42.51 1lou s ASP 15 CO 0.16 -2.84 1.86 0.06 0.21 0.00 0.00 175.17 174.62 1lou h GLN 16 N -1.69 0.25 0.09 8.23 3.07 -1.99 -0.78 115.11 122.29 1lou h GLN 16 Ca -0.52 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.16 1lou h GLN 16 Cb 1.31 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.83 1lou h GLN 16 CO 0.56 0.44 -0.08 1.03 0.09 0.00 0.00 178.83 180.87 1lou h SER 17 N 0.23 -0.21 -0.48 0.06 0.87 -1.99 -0.84 113.55 111.18 1lou h SER 17 Ca 0.04 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1lou h SER 17 Cb 0.48 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1lou h SER 17 CO 0.03 -0.13 0.09 1.56 -0.53 0.00 0.00 176.83 177.85 1lou h GLN 18 N -0.19 0.79 -0.21 2.24 4.20 -1.80 -1.80 115.11 118.35 1lou h GLN 18 Ca 0.00 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.53 1lou h GLN 18 Cb 0.18 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1lou h GLN 18 CO -0.02 0.80 0.04 1.25 -0.67 0.00 0.00 178.83 180.22 1lou h LEU 19 N 0.67 0.01 -0.96 1.46 7.12 -1.10 -1.05 115.31 121.46 1lou h LEU 19 Ca 0.15 0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.23 1lou h LEU 19 Cb 0.38 0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.50 1lou h LEU 19 CO 0.01 0.04 0.62 0.00 -0.13 0.00 0.00 178.44 178.98 1lou h ALA 20 N 1.15 1.27 -0.22 1.25 0.00 -1.07 -1.18 119.26 120.46 1lou h ALA 20 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1lou h ALA 20 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1lou h ALA 20 CO -0.13 0.50 0.10 1.25 0.00 0.00 0.00 179.25 180.98 1lou h LEU 21 N 1.20 0.30 -0.80 0.00 5.85 -0.93 -1.62 115.31 119.31 1lou h LEU 21 Ca 0.38 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1lou h LEU 21 Cb 0.01 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1lou h LEU 21 CO -0.13 0.35 0.52 -0.33 -0.34 0.00 0.00 178.44 178.51 1lou h GLU 22 N 0.23 1.02 -0.44 1.25 4.39 -0.72 -1.00 114.58 119.30 1lou h GLU 22 Ca 0.08 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1lou h GLU 22 Cb 0.13 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1lou h GLU 22 CO -0.01 0.67 0.09 0.87 -1.16 0.00 0.00 179.01 179.47 1lou h LYS 23 N 1.05 0.67 -0.59 2.33 1.57 -1.07 -1.10 116.57 119.43 1lou h LYS 23 Ca 0.31 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1lou h LYS 23 Cb -0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1lou h LYS 23 CO -0.09 0.62 0.00 0.93 -0.57 0.00 0.00 179.45 180.35 1lou h GLU 24 N 0.65 1.04 -0.34 3.15 5.08 -0.43 -1.87 114.58 121.87 1lou h GLU 24 Ca 0.15 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1lou h GLU 24 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1lou h GLU 24 CO -0.00 1.03 0.12 0.82 -1.00 0.00 0.00 179.01 179.97 1lou h ILE 25 N 0.94 1.20 -0.08 3.13 2.04 -0.94 -1.66 117.51 122.14 1lou h ILE 25 Ca 0.17 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1lou h ILE 25 Cb 0.55 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1lou h ILE 25 CO 0.03 0.22 -0.09 0.40 0.00 0.00 0.00 178.15 178.70 1lou h ILE 26 N 0.40 0.74 -0.63 -0.67 2.04 -1.02 -0.42 117.51 117.94 1lou h ILE 26 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1lou h ILE 26 Cb 0.22 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1lou h ILE 26 CO -0.01 0.00 0.36 -0.61 0.00 0.00 0.00 178.15 177.89 1lou h GLN 27 N -0.13 0.66 -0.54 2.37 -0.00 -1.31 -0.68 115.11 115.49 1lou h GLN 27 Ca 0.06 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1lou h GLN 27 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1lou h GLN 27 CO -0.15 0.44 0.25 -0.09 0.00 0.00 0.00 178.83 179.28 1lou h ARG 28 N 0.68 0.78 -0.73 1.69 2.43 -1.06 -1.45 114.38 116.72 1lou h ARG 28 Ca 0.28 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1lou h ARG 28 Cb 0.13 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1lou h ARG 28 CO -0.16 0.64 0.42 0.00 -1.51 0.00 0.00 179.97 179.37 1lou h ALA 29 N 1.09 0.94 -0.32 2.80 0.00 -0.77 0.00 119.26 123.00 1lou h ALA 29 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1lou h ALA 29 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1lou h ALA 29 CO -0.02 0.42 0.15 0.00 0.00 0.00 0.00 179.25 179.80 1lou h ALA 30 N 1.22 0.41 -0.64 0.00 0.00 -0.93 -1.66 119.26 117.66 1lou h ALA 30 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1lou h ALA 30 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1lou h ALA 30 CO -0.05 -0.02 0.37 0.93 0.00 0.00 0.00 179.25 180.48 1lou h GLU 31 N 0.38 0.88 0.00 0.00 5.08 -1.13 -0.82 114.58 118.96 1lou h GLU 31 Ca 0.11 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1lou h GLU 31 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1lou h GLU 31 CO -0.01 0.64 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.48 1lou h ASN 32 N 0.89 0.00 -0.59 1.42 2.35 -0.41 -2.21 115.58 117.03 1lou h ASN 32 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1lou h ASN 32 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1lou h ASN 32 CO -0.04 0.25 0.00 -1.22 -1.65 0.00 0.00 177.43 174.77 1lou n TYR 33 N -3.71 1.12 -0.64 1.19 4.01 -0.68 -4.95 117.16 113.50 1lou n TYR 33 Ca -0.01 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 1lou n TYR 33 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1lou n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lou n GLY 34 N 1.20 0.67 3.81 2.72 0.00 -0.83 -4.71 105.19 108.05 1lou n GLY 34 Ca 0.22 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1lou n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lou s ALA 35 N -2.00 3.36 -0.29 4.61 0.00 -0.37 -4.49 121.76 122.58 1lou s ALA 35 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1lou s ALA 35 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1lou s ALA 35 CO 0.00 0.29 0.22 1.03 0.00 0.00 0.00 175.76 177.31 1lou s ARG 36 N -2.07 3.91 -0.45 0.00 0.52 0.28 -4.24 118.95 116.90 1lou s ARG 36 Ca 0.45 -0.30 -0.27 0.00 -0.52 0.00 0.00 55.73 55.09 1lou s ARG 36 Cb -0.17 -3.68 0.03 0.00 0.52 0.00 0.00 34.95 31.65 1lou s ARG 36 CO 0.21 -0.23 1.04 0.08 0.02 0.00 0.00 175.30 176.42 1lou s VAL 37 N 1.80 4.36 -0.09 3.52 1.01 -1.26 -1.44 120.40 128.30 1lou s VAL 37 Ca 0.08 1.09 0.15 0.00 0.00 0.00 0.00 61.98 63.30 1lou s VAL 37 Cb -0.16 -4.51 -0.20 0.00 0.00 0.00 0.00 36.38 31.51 1lou s VAL 37 CO 0.11 -0.87 0.67 -0.62 0.00 0.00 0.00 175.10 174.39 1lou n GLU 38 N 7.44 0.63 -3.61 2.72 1.02 0.68 -4.98 120.64 124.54 1lou n GLU 38 Ca 0.09 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1lou n GLU 38 Cb 0.49 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 1lou n GLU 38 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1lou s LYS 39 N -2.74 0.83 -0.07 3.49 2.20 -1.15 -4.97 119.74 117.34 1lou s LYS 39 Ca -0.05 0.80 0.01 0.00 -0.36 0.00 0.00 55.97 56.37 1lou s LYS 39 Cb 0.08 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.82 1lou s LYS 39 CO 0.82 -0.14 -0.08 0.08 -0.36 0.00 0.00 175.35 175.68 1lou s VAL 40 N 0.05 0.84 -0.08 4.02 1.01 -1.26 -0.92 120.40 124.06 1lou s VAL 40 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1lou s VAL 40 Cb -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1lou s VAL 40 CO 0.02 0.30 -0.21 -1.61 0.00 0.00 0.00 175.10 173.60 1lou s GLU 41 N 1.03 2.62 -0.54 2.72 0.41 0.45 -4.99 118.70 120.39 1lou s GLU 41 Ca -0.09 -0.76 -0.22 0.00 -0.41 0.00 0.00 54.97 53.49 1lou s GLU 41 Cb -0.14 -2.04 0.05 0.00 -1.78 0.00 0.00 34.13 30.21 1lou s GLU 41 CO -0.00 0.17 0.83 -1.21 -0.49 0.00 0.00 175.26 174.56 1lou s GLU 42 N 0.35 3.24 0.06 1.61 2.02 -1.26 -1.46 118.70 123.26 1lou s GLU 42 Ca -0.16 -0.53 -0.11 0.00 0.02 0.00 0.00 54.97 54.19 1lou s GLU 42 Cb -0.17 -4.08 -0.28 0.00 0.10 0.00 0.00 34.13 29.70 1lou s GLU 42 CO 0.07 -1.41 1.11 -0.07 0.02 0.00 0.00 175.26 174.98 1lou h LEU 43 N 10.54 0.71 0.00 1.80 4.07 -1.44 -3.50 115.31 127.50 1lou h LEU 43 Ca -0.27 -0.70 0.00 0.00 0.08 0.00 0.00 57.88 56.99 1lou h LEU 43 Cb 1.08 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1lou h LEU 43 CO 1.05 1.53 0.00 0.61 -1.08 0.00 0.00 178.44 180.55 1lou n GLY 44 N 1.45 -1.87 3.71 0.83 0.00 -1.04 -4.87 105.19 103.41 1lou n GLY 44 Ca -0.12 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1lou n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lou s LEU 45 N 0.00 4.37 0.07 0.99 1.43 -1.26 -0.14 118.68 124.14 1lou s LEU 45 Ca 0.00 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1lou s LEU 45 Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1lou s LEU 45 CO 0.00 -0.33 -0.07 -0.13 0.23 0.00 0.00 176.35 176.05 1lou s ARG 46 N 1.02 0.67 -0.10 1.70 0.52 -0.91 -4.97 118.95 116.89 1lou s ARG 46 Ca 0.54 -1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 1lou s ARG 46 Cb -0.24 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 1lou s ARG 46 CO 0.28 0.00 0.96 0.50 0.02 0.00 0.00 175.30 177.06 1lou s ARG 47 N -2.79 4.42 0.59 3.54 6.06 -1.26 -1.48 118.95 128.03 1lou s ARG 47 Ca 0.01 1.30 -0.15 0.00 -2.50 0.00 0.00 55.73 54.40 1lou s ARG 47 Cb -0.02 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.42 1lou s ARG 47 CO -0.03 -0.25 1.04 -0.51 -2.50 0.00 0.00 175.30 173.05 1lou s LEU 48 N 1.80 3.44 0.45 -0.88 1.43 0.06 -4.94 118.68 120.04 1lou s LEU 48 Ca 0.47 1.68 0.20 0.00 -1.03 0.00 0.00 54.13 55.44 1lou s LEU 48 Cb -0.18 -4.51 1.05 0.00 0.03 0.00 0.00 46.19 42.57 1lou s LEU 48 CO 0.19 -1.03 1.94 0.00 0.23 0.00 0.00 176.35 177.68 1lou h ALA 49 N 0.30 1.35 -2.55 4.21 0.00 -1.96 -3.43 119.26 117.19 1lou h ALA 49 Ca -0.46 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 1lou h ALA 49 Cb 1.21 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1lou h ALA 49 CO 0.59 0.30 -0.21 1.52 0.00 0.00 0.00 179.25 181.44 1lou s TYR 50 N -4.19 -0.33 0.40 0.00 1.13 -1.26 -5.15 117.35 107.95 1lou s TYR 50 Ca -0.03 0.66 -0.26 0.00 -1.41 0.00 0.00 57.07 56.03 1lou s TYR 50 Cb 0.14 0.15 -0.09 0.00 -1.10 0.00 0.00 41.96 41.06 1lou s TYR 50 CO 0.66 -0.35 1.32 -1.25 -2.51 0.00 0.00 175.55 173.42 1lou s PRO 51 N -0.75 3.99 -0.10 -3.49 0.04 -1.26 -4.95 135.00 128.47 1lou s PRO 51 Ca -0.08 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1lou s PRO 51 Cb -0.04 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1lou s PRO 51 CO 0.04 -0.49 -0.17 0.42 0.04 0.00 0.00 177.00 176.83 1lou s ILE 52 N -1.24 1.59 -1.47 0.56 1.01 -0.88 -4.66 121.20 116.11 1lou s ILE 52 Ca 0.56 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1lou s ILE 52 Cb -0.39 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.66 1lou s ILE 52 CO 0.51 0.46 0.84 0.00 0.00 0.00 0.00 174.94 176.74 1lou n ALA 53 N 4.01 -1.12 -1.31 9.38 0.00 -1.26 -0.99 120.51 129.21 1lou n ALA 53 Ca -0.20 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1lou n ALA 53 Cb 0.52 -4.48 -0.05 0.00 0.00 0.00 0.00 19.45 15.44 1lou n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1lou n LYS 54 N -4.42 -1.64 -4.50 0.00 3.00 -1.26 -4.97 118.16 104.35 1lou n LYS 54 Ca -0.05 0.87 -0.34 0.00 -0.00 0.00 0.00 58.31 58.79 1lou n LYS 54 Cb 0.59 -5.26 -0.12 0.00 0.00 0.00 0.00 35.03 30.23 1lou n LYS 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1lou s ASP 55 N -2.42 4.64 0.00 3.14 1.01 -0.17 -5.00 116.67 117.87 1lou s ASP 55 Ca 0.00 -0.15 0.29 0.00 0.71 0.00 0.00 52.55 53.40 1lou s ASP 55 Cb 0.00 -1.66 1.30 0.00 1.01 0.00 0.00 42.92 43.57 1lou s ASP 55 CO 0.00 0.20 1.89 -0.81 0.21 0.00 0.00 175.17 176.66 1lou n PRO 56 N 3.33 1.25 -4.38 8.23 -0.04 -1.26 -2.07 135.00 140.07 1lou n PRO 56 Ca -0.18 -0.53 -0.19 0.00 -0.04 0.00 0.00 63.50 62.56 1lou n PRO 56 Cb 0.53 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1lou n PRO 56 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1lou s GLN 57 N -2.11 1.49 0.14 0.54 -2.07 -1.26 -0.76 119.66 115.63 1lou s GLN 57 Ca 0.38 -1.80 -0.11 0.00 -1.82 0.00 0.00 55.36 52.01 1lou s GLN 57 Cb 0.21 -0.62 0.00 0.00 -1.09 0.00 0.00 33.01 31.52 1lou s GLN 57 CO 0.38 -0.19 0.31 0.20 -1.32 0.00 0.00 175.29 174.67 1lou s GLY 58 N -3.38 0.19 -0.28 2.60 0.00 -0.55 -4.50 107.32 101.40 1lou s GLY 58 Ca 0.35 -0.60 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 1lou s GLY 58 CO 0.13 -0.68 0.21 -0.47 0.00 0.00 0.00 173.10 172.29 1lou s TYR 59 N -3.90 3.23 -0.06 1.90 6.14 0.22 -2.14 117.35 122.74 1lou s TYR 59 Ca 0.11 0.15 -0.12 0.00 0.64 0.00 0.00 57.07 57.85 1lou s TYR 59 Cb 0.03 -2.39 -0.05 0.00 0.42 0.00 0.00 41.96 39.97 1lou s TYR 59 CO -0.05 -0.15 0.30 -0.06 0.64 0.00 0.00 175.55 176.22 1lou s PHE 60 N 1.75 3.66 0.07 4.97 0.40 0.80 -0.39 117.98 129.24 1lou s PHE 60 Ca 0.08 0.79 0.06 0.00 -0.60 0.00 0.00 56.93 57.26 1lou s PHE 60 Cb -0.16 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1lou s PHE 60 CO 0.11 0.65 -0.18 -0.51 0.70 0.00 0.00 175.22 175.99 1lou s LEU 61 N -0.94 2.23 -0.02 -0.37 1.43 0.24 -1.02 118.68 120.24 1lou s LEU 61 Ca 0.20 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1lou s LEU 61 Cb -0.15 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 1lou s LEU 61 CO 0.09 0.04 -0.09 0.86 0.23 0.00 0.00 176.35 177.48 1lou s TRP 62 N -1.03 0.93 0.03 0.29 -0.00 -0.53 -1.10 118.94 117.52 1lou s TRP 62 Ca 0.03 -0.21 0.05 0.00 -0.00 0.00 0.00 56.10 55.97 1lou s TRP 62 Cb -0.09 -0.64 -0.02 0.00 -0.00 0.00 0.00 33.47 32.72 1lou s TRP 62 CO 0.02 -0.07 -0.14 0.71 -0.00 0.00 0.00 176.95 177.47 1lou s TYR 63 N 0.06 1.26 -0.24 5.86 1.51 -0.48 -0.42 117.35 124.91 1lou s TYR 63 Ca -0.01 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1lou s TYR 63 Cb -0.07 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1lou s TYR 63 CO 0.00 0.02 0.02 -1.14 -1.11 0.00 0.00 175.55 173.35 1lou s GLN 64 N -0.91 3.45 0.09 -0.62 0.74 -0.10 -0.97 119.66 121.34 1lou s GLN 64 Ca 0.03 -0.60 0.07 0.00 0.05 0.00 0.00 55.36 54.92 1lou s GLN 64 Cb -0.07 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 1lou s GLN 64 CO 0.01 -0.23 -0.19 0.14 -0.55 0.00 0.00 175.29 174.46 1lou s VAL 65 N 1.54 1.57 -0.23 1.34 -7.23 -0.63 -0.23 120.40 116.53 1lou s VAL 65 Ca 0.06 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1lou s VAL 65 Cb -0.15 -1.44 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 1lou s VAL 65 CO 0.00 -0.08 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.98 1lou s GLU 66 N -1.82 3.32 0.24 4.82 2.12 -0.52 -0.65 118.70 126.22 1lou s GLU 66 Ca 0.05 -0.66 -0.17 0.00 0.36 0.00 0.00 54.97 54.54 1lou s GLU 66 Cb -0.10 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.26 1lou s GLU 66 CO 0.04 -0.23 0.57 0.00 -0.54 0.00 0.00 175.26 175.10 1lou s MET 67 N 1.47 1.58 0.17 4.30 0.23 -0.18 -0.56 119.30 126.31 1lou s MET 67 Ca 0.05 -1.06 -0.31 0.00 -1.03 0.00 0.00 55.69 53.35 1lou s MET 67 Cb -0.15 0.53 -0.09 0.00 -1.53 0.00 0.00 34.83 33.60 1lou s MET 67 CO -0.03 -0.68 1.39 -2.14 -2.03 0.00 0.00 175.02 171.53 1lou s PRO 68 N -3.95 4.32 0.43 3.16 0.02 -1.26 -1.38 135.00 136.34 1lou s PRO 68 Ca 0.15 2.13 0.13 0.00 0.02 0.00 0.00 61.00 63.43 1lou s PRO 68 Cb -0.02 -3.20 1.01 0.00 0.02 0.00 0.00 34.50 32.30 1lou s PRO 68 CO 0.05 -0.40 1.99 1.05 -0.33 0.00 0.00 177.00 179.36 1lou h GLU 69 N 6.10 0.42 0.00 5.54 4.11 -1.91 -2.13 114.58 126.71 1lou h GLU 69 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1lou h GLU 69 Cb 1.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1lou h GLU 69 CO 0.83 0.28 0.00 -0.40 0.07 0.00 0.00 179.01 179.79 1lou n ASP 70 N -4.47 0.00 -0.26 3.06 5.75 -1.26 -2.69 116.55 116.67 1lou n ASP 70 Ca 0.09 0.37 0.07 0.00 -0.01 0.00 0.00 54.79 55.32 1lou n ASP 70 Cb 0.34 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.97 1lou n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1lou n ARG 71 N -1.44 1.94 -0.13 0.11 5.12 -0.80 -4.70 116.66 116.75 1lou n ARG 71 Ca 0.05 -0.61 -0.08 0.00 -1.93 0.00 0.00 57.85 55.28 1lou n ARG 71 Cb 0.19 -1.20 0.01 0.00 -1.16 0.00 0.00 32.46 30.29 1lou n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1lou h VAL 72 N 1.30 1.10 -0.49 1.55 2.07 -1.53 -1.88 116.25 118.37 1lou h VAL 72 Ca 0.00 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1lou h VAL 72 Cb 0.45 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1lou h VAL 72 CO 0.00 0.10 0.08 -1.13 0.02 0.00 0.00 177.57 176.64 1lou h ASN 73 N 0.56 0.72 -0.56 0.57 -0.00 -1.84 -1.57 115.58 113.46 1lou h ASN 73 Ca 0.15 -0.14 -0.09 0.00 -0.00 0.00 0.00 56.30 56.23 1lou h ASN 73 Cb -0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.05 1lou h ASN 73 CO -0.04 0.74 0.03 0.44 -0.00 0.00 0.00 177.43 178.60 1lou h ASP 74 N 0.73 0.98 -0.21 1.15 3.32 -1.79 -2.07 116.42 118.53 1lou h ASP 74 Ca 0.16 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1lou h ASP 74 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1lou h ASP 74 CO 0.01 1.02 0.09 0.25 -1.72 0.00 0.00 179.24 178.88 1lou h LEU 75 N 0.93 0.29 -0.94 1.55 5.85 -0.95 0.14 115.31 122.18 1lou h LEU 75 Ca 0.17 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1lou h LEU 75 Cb 0.50 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1lou h LEU 75 CO 0.02 0.37 0.59 0.00 -0.34 0.00 0.00 178.44 179.08 1lou h ALA 76 N 0.93 1.36 -0.44 1.25 0.00 -1.13 0.13 119.26 121.37 1lou h ALA 76 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1lou h ALA 76 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1lou h ALA 76 CO -0.01 0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.59 1lou h ARG 77 N 1.00 0.72 -0.72 0.00 3.08 -1.20 -1.38 114.38 115.88 1lou h ARG 77 Ca 0.44 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 1lou h ARG 77 Cb 0.32 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1lou h ARG 77 CO -0.22 0.75 0.30 1.49 -1.07 0.00 0.00 179.97 181.22 1lou h GLU 78 N 0.58 1.06 -0.33 0.04 4.57 0.16 -2.88 114.58 117.79 1lou h GLU 78 Ca 0.13 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1lou h GLU 78 Cb 0.37 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1lou h GLU 78 CO 0.01 0.85 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.38 1lou h LEU 79 N 1.04 0.66 -0.45 1.64 3.38 -0.21 -3.16 115.31 118.21 1lou h LEU 79 Ca 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1lou h LEU 79 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1lou h LEU 79 CO -0.02 0.89 0.00 0.54 0.09 0.00 0.00 178.44 179.93 1lou n ARG 80 N -4.11 0.13 0.01 1.13 1.74 -0.57 -3.30 116.66 111.70 1lou n ARG 80 Ca -0.00 0.36 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 1lou n ARG 80 Cb 0.43 -1.75 0.48 0.00 -1.02 0.00 0.00 32.46 30.60 1lou n ARG 80 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1lou n ILE 81 N -2.00 0.06 -2.54 0.55 -5.35 -1.20 -4.82 119.36 104.07 1lou n ILE 81 Ca 0.03 -0.04 -0.40 0.00 -0.27 0.00 0.00 62.75 62.07 1lou n ILE 81 Cb 0.22 -0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 37.79 1lou n ILE 81 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1lou s ARG 82 N -3.02 4.67 0.33 6.28 1.81 -1.21 -4.95 118.95 122.87 1lou s ARG 82 Ca 0.13 1.72 0.12 0.00 -1.72 0.00 0.00 55.73 55.98 1lou s ARG 82 Cb 0.18 -3.18 0.57 0.00 -0.45 0.00 0.00 34.95 32.06 1lou s ARG 82 CO 0.59 0.27 1.73 -0.44 -0.68 0.00 0.00 175.30 176.77 1lou h ASP 83 N 3.84 0.00 0.78 0.23 3.32 -1.92 -2.51 116.42 120.15 1lou h ASP 83 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1lou h ASP 83 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1lou h ASP 83 CO 0.67 0.48 0.00 0.59 -1.72 0.00 0.00 179.24 179.26 1lou n ASN 84 N -3.94 0.00 -4.62 6.45 3.02 -1.26 -4.69 115.26 110.22 1lou n ASN 84 Ca -0.02 0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1lou n ASN 84 Cb 0.50 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1lou n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lou s VAL 85 N -2.87 4.81 -0.12 2.41 1.01 -0.95 -1.35 120.40 123.34 1lou s VAL 85 Ca 0.17 1.20 0.16 0.00 0.00 0.00 0.00 61.98 63.51 1lou s VAL 85 Cb 0.17 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 1lou s VAL 85 CO 0.46 -0.22 0.44 0.54 0.00 0.00 0.00 175.10 176.32 1lou n ARG 86 N 6.16 0.66 -3.66 2.72 5.12 0.95 -4.84 116.66 123.76 1lou n ARG 86 Ca 0.04 0.12 -0.14 0.00 -1.93 0.00 0.00 57.85 55.94 1lou n ARG 86 Cb 0.48 -1.66 -0.08 0.00 -1.16 0.00 0.00 32.46 30.04 1lou n ARG 86 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1lou s ARG 87 N -2.69 0.75 -0.04 5.56 3.52 -1.10 -4.97 118.95 119.98 1lou s ARG 87 Ca -0.07 0.86 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 1lou s ARG 87 Cb 0.08 0.36 0.01 0.00 -1.56 0.00 0.00 34.95 33.84 1lou s ARG 87 CO 0.83 -0.10 -0.10 0.08 -0.81 0.00 0.00 175.30 175.21 1lou s VAL 88 N 0.28 0.92 -0.02 7.11 1.01 -1.26 -0.90 120.40 127.54 1lou s VAL 88 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1lou s VAL 88 Cb -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1lou s VAL 88 CO 0.01 0.29 0.01 -0.32 0.00 0.00 0.00 175.10 175.10 1lou s MET 89 N 0.49 0.10 -0.10 2.72 0.00 -0.39 -4.98 119.30 117.14 1lou s MET 89 Ca -0.09 0.10 0.04 0.00 0.00 0.00 0.00 55.69 55.74 1lou s MET 89 Cb -0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 34.83 34.41 1lou s MET 89 CO 0.02 -0.12 -0.23 0.08 0.00 0.00 0.00 175.02 174.77 1lou s VAL 90 N 0.82 2.12 0.12 10.11 1.01 -1.26 -0.34 120.40 132.99 1lou s VAL 90 Ca -0.07 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1lou s VAL 90 Cb -0.11 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1lou s VAL 90 CO -0.02 0.56 -0.11 0.68 0.00 0.00 0.00 175.10 176.21 1lou s VAL 91 N 0.31 1.14 0.33 2.92 -7.23 -0.19 -4.96 120.40 112.73 1lou s VAL 91 Ca -0.18 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 1lou s VAL 91 Cb -0.18 -1.59 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 1lou s VAL 91 CO 0.09 -0.59 1.26 -0.75 -0.31 0.00 0.00 175.10 174.79 1lou s LYS 92 N -3.11 4.35 0.05 4.82 2.20 -1.26 0.16 119.74 126.95 1lou s LYS 92 Ca 0.11 2.10 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 1lou s LYS 92 Cb -0.01 -3.03 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 1lou s LYS 92 CO 0.01 -0.15 1.22 0.45 -0.36 0.00 0.00 175.35 176.52 1lou s SER 93 N -0.64 7.05 -0.25 1.43 0.15 -0.48 -4.69 113.70 116.28 1lou s SER 93 Ca 0.49 2.01 0.01 0.00 0.70 0.00 0.00 55.95 59.16 1lou s SER 93 Cb -0.37 -2.58 -0.16 0.00 -1.71 0.00 0.00 66.02 61.20 1lou s SER 93 CO 0.49 -0.51 -0.23 0.00 1.20 0.00 0.00 173.24 174.19 1lou n GLN 94 N 4.18 0.61 -3.43 5.44 6.02 -1.26 -4.86 117.38 124.08 1lou n GLN 94 Ca 0.10 0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.98 1lou n GLN 94 Cb 0.46 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 1lou n GLN 94 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1lou n GLU 95 N -3.31 1.24 -1.73 -1.09 1.02 -1.26 -5.12 120.64 110.40 1lou n GLU 95 Ca -0.45 -3.80 -0.35 0.00 -0.02 0.00 0.00 57.16 52.54 1lou n GLU 95 Cb 0.96 -1.78 0.06 0.00 -0.02 0.00 0.00 31.44 30.66 1lou n GLU 95 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1lou s PRO 96 N -1.26 2.57 0.00 3.49 0.04 -1.26 -5.22 135.00 133.36 1lou s PRO 96 Ca 0.34 1.81 0.32 0.00 0.04 0.00 0.00 61.00 63.51 1lou s PRO 96 Cb 0.09 -1.88 1.88 0.00 0.04 0.00 0.00 34.50 34.64 1lou s PRO 96 CO -0.12 -1.51 2.22 1.19 0.04 0.00 0.00 177.00 178.81