#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyj s SER 1 N 0.00 -0.40 0.70 1.61 0.15 -1.26 -4.37 113.70 110.14 3kyj s SER 1 Ca 0.00 0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.94 3kyj s SER 1 Cb 0.00 1.40 0.01 0.00 -1.71 0.00 0.00 66.02 65.72 3kyj s SER 1 CO 0.00 -0.08 1.08 -2.16 1.20 0.00 0.00 173.24 173.29 3kyj s PRO 2 N 2.57 2.89 0.26 5.44 0.04 -1.26 -5.12 135.00 139.82 3kyj s PRO 2 Ca -0.01 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 3kyj s PRO 2 Cb -0.07 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3kyj s PRO 2 CO -0.14 -1.04 1.12 0.71 0.04 0.00 0.00 177.00 177.69 3kyj s TYR 3 N -3.26 3.55 -0.18 0.56 2.02 0.06 -4.82 117.35 115.27 3kyj s TYR 3 Ca 0.58 1.65 -0.18 0.00 -0.37 0.00 0.00 57.07 58.75 3kyj s TYR 3 Cb -0.12 -3.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 3kyj s TYR 3 CO 0.53 -0.67 0.50 -0.80 -1.57 0.00 0.00 175.55 173.54 3kyj s ASN 4 N -0.68 6.58 -0.06 2.29 0.01 -1.26 -0.92 114.94 120.89 3kyj s ASN 4 Ca 0.46 0.69 0.03 0.00 -0.71 0.00 0.00 52.86 53.33 3kyj s ASN 4 Cb -0.32 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3kyj s ASN 4 CO 0.40 -0.14 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.03 3kyj s VAL 5 N 1.43 3.09 -0.12 1.60 1.01 0.56 -0.62 120.40 127.35 3kyj s VAL 5 Ca 0.24 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kyj s VAL 5 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3kyj s VAL 5 CO 0.10 0.58 -0.10 -0.32 0.00 0.00 0.00 175.10 175.36 3kyj s MET 6 N -0.55 3.29 -0.20 2.72 1.75 -0.18 -0.74 119.30 125.38 3kyj s MET 6 Ca 0.08 -0.63 -0.05 0.00 -1.25 0.00 0.00 55.69 53.84 3kyj s MET 6 Cb -0.11 -2.67 -0.02 0.00 2.84 0.00 0.00 34.83 34.86 3kyj s MET 6 CO 0.01 0.32 -0.01 0.42 -0.65 0.00 0.00 175.02 175.11 3kyj s ILE 7 N 0.09 3.82 -0.24 10.11 1.01 -0.43 -0.94 121.20 134.62 3kyj s ILE 7 Ca -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3kyj s ILE 7 Cb -0.14 -2.73 0.06 0.00 0.01 0.00 0.00 42.46 39.66 3kyj s ILE 7 CO 0.04 0.43 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 3kyj s VAL 8 N 1.09 1.77 -0.28 2.92 1.01 0.31 -0.93 120.40 126.30 3kyj s VAL 8 Ca 0.02 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.42 3kyj s VAL 8 Cb -0.14 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.34 3kyj s VAL 8 CO 0.01 -0.07 0.73 -0.62 0.00 0.00 0.00 175.10 175.16 3kyj s ASP 9 N 1.28 -0.82 0.23 3.32 -1.08 -0.70 -1.26 116.67 117.65 3kyj s ASP 9 Ca -0.07 1.42 0.24 0.00 -0.52 0.00 0.00 52.55 53.62 3kyj s ASP 9 Cb -0.19 1.39 0.93 0.00 -1.46 0.00 0.00 42.92 43.58 3kyj s ASP 9 CO -0.06 -0.23 1.72 -0.90 0.52 0.00 0.00 175.17 176.22 3kyj n ASP 10 N 3.47 0.67 -4.54 -0.34 5.75 -1.25 -4.22 116.55 116.09 3kyj n ASP 10 Ca -0.17 0.63 -0.43 0.00 -0.01 0.00 0.00 54.79 54.81 3kyj n ASP 10 Cb 0.57 -0.79 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 3kyj n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kyj s ALA 11 N -3.24 3.27 0.39 2.12 0.00 -1.26 -4.92 121.76 118.12 3kyj s ALA 11 Ca 0.06 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.10 3kyj s ALA 11 Cb 0.10 -3.53 0.90 0.00 0.00 0.00 0.00 23.12 20.59 3kyj s ALA 11 CO 0.45 -2.01 1.92 0.00 0.00 0.00 0.00 175.76 176.11 3kyj h ALA 12 N 9.04 1.91 -0.39 0.00 0.00 -1.99 -1.51 119.26 126.33 3kyj h ALA 12 Ca -0.25 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3kyj h ALA 12 Cb 1.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3kyj h ALA 12 CO 0.99 -0.10 -0.12 0.52 0.00 0.00 0.00 179.25 180.54 3kyj h MET 13 N 0.58 0.69 -0.23 0.00 2.86 -1.96 -1.75 114.93 115.13 3kyj h MET 13 Ca 0.37 -0.22 -0.19 0.00 -2.06 0.00 0.00 59.70 57.60 3kyj h MET 13 Cb 0.63 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3kyj h MET 13 CO -0.14 0.79 -0.60 1.98 1.06 0.00 0.00 176.91 180.00 3kyj h MET 14 N 0.63 0.75 -0.41 1.72 -1.53 -1.72 -0.85 114.93 113.52 3kyj h MET 14 Ca 0.11 -0.51 0.00 0.00 -3.44 0.00 0.00 59.70 55.86 3kyj h MET 14 Cb 0.57 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 3kyj h MET 14 CO 0.04 1.13 0.26 0.00 0.14 0.00 0.00 176.91 178.48 3kyj h ARG 15 N 0.56 0.56 -0.43 0.39 3.08 -1.11 -0.84 114.38 116.58 3kyj h ARG 15 Ca -0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3kyj h ARG 15 Cb 1.20 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3kyj h ARG 15 CO 0.12 0.40 -0.06 1.25 -1.07 0.00 0.00 179.97 180.61 3kyj h LEU 16 N 0.55 0.80 -0.27 3.04 5.85 -1.26 -0.33 115.31 123.68 3kyj h LEU 16 Ca 0.15 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3kyj h LEU 16 Cb -0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3kyj h LEU 16 CO -0.03 0.95 0.14 0.22 -0.34 0.00 0.00 178.44 179.38 3kyj h TYR 17 N 0.63 0.38 -0.46 1.25 3.20 -0.96 0.78 116.97 121.79 3kyj h TYR 17 Ca 0.11 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3kyj h TYR 17 Cb 0.58 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3kyj h TYR 17 CO 0.04 0.33 -0.03 0.82 -1.64 0.00 0.00 178.16 177.68 3kyj h ILE 18 N 0.32 1.27 -0.76 1.81 2.04 -1.13 -1.81 117.51 119.23 3kyj h ILE 18 Ca 0.09 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3kyj h ILE 18 Cb 0.08 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3kyj h ILE 18 CO -0.01 0.38 0.47 0.00 0.00 0.00 0.00 178.15 178.99 3kyj h ALA 19 N 0.90 0.97 -0.78 1.87 0.00 -0.77 -0.28 119.26 121.17 3kyj h ALA 19 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kyj h ALA 19 Cb 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kyj h ALA 19 CO 0.03 0.43 0.31 0.77 0.00 0.00 0.00 179.25 180.80 3kyj h SER 20 N 1.04 1.08 -0.38 0.00 0.02 -0.64 -1.80 113.55 112.86 3kyj h SER 20 Ca 0.27 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3kyj h SER 20 Cb -0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3kyj h SER 20 CO -0.05 0.95 0.13 0.15 -1.14 0.00 0.00 176.83 176.87 3kyj h PHE 21 N 1.13 0.61 0.00 3.45 3.57 -0.85 -2.95 116.94 121.90 3kyj h PHE 21 Ca 0.26 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3kyj h PHE 21 Cb 0.21 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3kyj h PHE 21 CO 0.02 0.57 -0.11 0.82 -2.23 0.00 0.00 178.31 177.39 3kyj h ILE 22 N 0.47 1.01 -0.29 1.41 2.04 -0.71 -0.21 117.51 121.23 3kyj h ILE 22 Ca 0.12 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3kyj h ILE 22 Cb 0.24 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3kyj h ILE 22 CO -0.01 0.10 0.28 0.11 0.00 0.00 0.00 178.15 178.64 3kyj h LYS 23 N 0.00 0.00 -0.01 2.37 1.57 -1.15 -1.26 116.57 118.09 3kyj h LYS 23 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kyj h LYS 23 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kyj h LYS 23 CO 0.01 0.00 -0.27 0.25 -0.57 0.00 0.00 179.45 178.87 3kyj n THR 24 N -3.91 0.00 -3.48 -0.16 -2.24 -0.09 -4.79 114.28 99.61 3kyj n THR 24 Ca 0.04 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 3kyj n THR 24 Cb 0.44 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 3kyj n THR 24 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kyj s LEU 25 N -2.57 4.19 0.17 3.22 1.43 -0.48 -4.97 118.68 119.67 3kyj s LEU 25 Ca 0.23 0.48 0.24 0.00 -1.03 0.00 0.00 54.13 54.05 3kyj s LEU 25 Cb 0.19 -2.42 0.91 0.00 0.03 0.00 0.00 46.19 44.90 3kyj s LEU 25 CO 0.54 0.02 1.72 -0.81 0.23 0.00 0.00 176.35 178.05 3kyj n PRO 26 N 4.02 0.16 -0.05 1.29 -0.04 -1.26 -3.53 135.00 135.60 3kyj n PRO 26 Ca -0.10 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 3kyj n PRO 26 Cb 0.52 -1.74 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 3kyj n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kyj n ASP 27 N -2.04 2.74 -3.90 3.54 5.75 -1.26 -4.65 116.55 116.73 3kyj n ASP 27 Ca 0.04 -1.82 -0.11 0.00 -0.01 0.00 0.00 54.79 52.89 3kyj n ASP 27 Cb 0.30 -0.07 -0.13 0.00 -1.03 0.00 0.00 41.12 40.19 3kyj n ASP 27 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kyj s PHE 28 N -1.48 0.07 0.08 2.11 0.08 -1.23 -0.76 117.98 116.86 3kyj s PHE 28 Ca 0.25 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.18 3kyj s PHE 28 Cb 0.16 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.52 3kyj s PHE 28 CO 0.24 -0.06 -0.08 -1.59 -0.10 0.00 0.00 175.22 173.63 3kyj s LYS 29 N -0.44 0.77 -0.14 0.44 -2.85 -0.10 -4.71 119.74 112.71 3kyj s LYS 29 Ca -0.05 -1.13 -0.19 0.00 -1.00 0.00 0.00 55.97 53.60 3kyj s LYS 29 Cb -0.03 -0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.34 3kyj s LYS 29 CO -0.00 0.04 0.54 0.08 0.10 0.00 0.00 175.35 176.11 3kyj s VAL 30 N -2.62 5.12 -0.19 1.79 1.01 -1.26 -0.32 120.40 123.93 3kyj s VAL 30 Ca 0.04 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.14 3kyj s VAL 30 Cb -0.02 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3kyj s VAL 30 CO -0.02 0.25 0.20 1.33 0.00 0.00 0.00 175.10 176.86 3kyj n VAL 31 N 4.02 0.00 -3.54 2.92 0.24 0.08 -4.87 118.33 117.17 3kyj n VAL 31 Ca -0.05 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 61.75 3kyj n VAL 31 Cb 0.51 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 3kyj n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kyj s ALA 32 N -1.67 -1.73 0.01 2.33 0.00 -1.20 -5.02 121.76 114.48 3kyj s ALA 32 Ca 0.01 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3kyj s ALA 32 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kyj s ALA 32 CO 0.21 -0.36 -0.05 -0.65 0.00 0.00 0.00 175.76 174.91 3kyj s GLN 33 N -1.01 0.41 -0.04 0.00 -0.21 -1.26 -1.31 119.66 116.23 3kyj s GLN 33 Ca -0.10 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 54.83 3kyj s GLN 33 Cb -0.01 -0.31 0.02 0.00 1.00 0.00 0.00 33.01 33.71 3kyj s GLN 33 CO 0.09 0.08 0.23 0.00 -2.12 0.00 0.00 175.29 173.56 3kyj s ALA 34 N -0.53 -0.57 -0.75 6.09 0.00 -0.10 -4.95 121.76 120.95 3kyj s ALA 34 Ca -0.02 0.31 0.21 0.00 0.00 0.00 0.00 51.96 52.45 3kyj s ALA 34 Cb -0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 23.12 22.73 3kyj s ALA 34 CO -0.00 -0.19 0.78 0.00 0.00 0.00 0.00 175.76 176.35 3kyj n ALA 35 N 1.95 4.25 -3.53 0.00 0.00 -1.26 -1.72 120.51 120.20 3kyj n ALA 35 Ca -0.19 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.60 3kyj n ALA 35 Cb 0.57 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 3kyj n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kyj s ASN 36 N -3.32 -0.22 0.23 0.00 2.20 -1.26 -3.83 114.94 108.73 3kyj s ASN 36 Ca 0.04 -0.65 -0.08 0.00 -0.94 0.00 0.00 52.86 51.23 3kyj s ASN 36 Cb 0.15 0.65 0.21 0.00 -2.00 0.00 0.00 41.25 40.27 3kyj s ASN 36 CO 0.86 -1.21 1.91 1.23 -2.94 0.00 0.00 177.10 176.95 3kyj h GLY 37 N 2.11 1.25 1.03 0.45 0.00 -1.95 -0.47 103.07 105.50 3kyj h GLY 37 Ca -0.24 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.49 3kyj h GLY 37 CO 0.30 0.45 -0.37 -1.61 0.00 0.00 0.00 176.54 175.32 3kyj h GLN 38 N 1.20 0.77 -0.77 4.80 5.75 -1.99 0.07 115.11 124.95 3kyj h GLN 38 Ca 0.33 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.36 3kyj h GLN 38 Cb -0.13 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3kyj h GLN 38 CO -0.07 1.06 0.37 1.49 -2.65 0.00 0.00 178.83 179.03 3kyj h GLU 39 N 0.53 1.11 -0.53 1.69 4.81 -1.94 0.61 114.58 120.87 3kyj h GLU 39 Ca 0.04 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3kyj h GLU 39 Cb 0.95 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3kyj h GLU 39 CO 0.09 0.85 0.20 0.00 -0.73 0.00 0.00 179.01 179.42 3kyj h ALA 40 N 1.30 0.69 -0.51 2.92 0.00 -0.72 -0.23 119.26 122.71 3kyj h ALA 40 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kyj h ALA 40 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3kyj h ALA 40 CO -0.03 0.31 0.33 -0.07 0.00 0.00 0.00 179.25 179.79 3kyj h LEU 41 N 0.72 0.55 -0.71 0.00 3.38 -0.46 0.40 115.31 119.19 3kyj h LEU 41 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3kyj h LEU 41 Cb 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kyj h LEU 41 CO -0.01 0.40 0.37 0.44 0.09 0.00 0.00 178.44 179.72 3kyj h ASP 42 N 0.66 0.91 0.23 -0.43 3.32 -0.52 -0.03 116.42 120.56 3kyj h ASP 42 Ca 0.20 -0.11 -0.26 0.00 0.02 0.00 0.00 57.03 56.88 3kyj h ASP 42 Cb -0.04 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.29 3kyj h ASP 42 CO -0.06 0.77 -1.06 0.11 -1.72 0.00 0.00 179.24 177.27 3kyj h LYS 43 N 0.99 0.52 -0.40 3.56 1.57 -0.87 -3.11 116.57 118.83 3kyj h LYS 43 Ca 0.25 -0.62 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 3kyj h LYS 43 Cb 0.07 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3kyj h LYS 43 CO -0.04 1.24 -0.17 1.25 -0.57 0.00 0.00 179.45 181.17 3kyj h LEU 44 N 0.27 0.84 -1.12 2.94 5.85 -0.78 -1.25 115.31 122.06 3kyj h LEU 44 Ca -0.12 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 3kyj h LEU 44 Cb 1.72 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3kyj h LEU 44 CO 0.19 1.04 -0.39 0.00 -0.34 0.00 0.00 178.44 178.95 3kyj h ALA 45 N 0.82 1.15 0.00 1.25 0.00 -1.09 -1.68 119.26 119.72 3kyj h ALA 45 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kyj h ALA 45 Cb 0.71 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kyj h ALA 45 CO 0.05 0.49 -0.52 0.00 0.00 0.00 0.00 179.25 179.28 3kyj h ALA 46 N 1.61 0.74 -2.73 0.00 0.00 -1.46 -3.41 119.26 114.01 3kyj h ALA 46 Ca -0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 3kyj h ALA 46 Cb 0.79 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.17 3kyj h ALA 46 CO 0.05 0.03 -0.65 1.04 0.00 0.00 0.00 179.25 179.72 3kyj n GLN 47 N -2.89 1.75 0.00 0.00 6.02 -0.48 -4.95 117.38 116.82 3kyj n GLN 47 Ca 0.02 -4.31 0.10 0.00 -0.01 0.00 0.00 57.00 52.79 3kyj n GLN 47 Cb 0.55 -2.15 0.50 0.00 1.02 0.00 0.00 30.24 30.15 3kyj n GLN 47 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3kyj n PRO 48 N 1.77 0.28 -0.05 -1.09 -0.04 -1.24 -2.87 135.00 131.76 3kyj n PRO 48 Ca 0.24 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 3kyj n PRO 48 Cb 0.39 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.61 3kyj n PRO 48 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kyj n ASN 49 N -1.29 0.65 -4.70 3.54 0.23 -1.26 -4.90 115.26 107.54 3kyj n ASN 49 Ca 0.09 -1.77 -0.42 0.00 -0.53 0.00 0.00 54.58 51.95 3kyj n ASN 49 Cb 0.16 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 3kyj n ASN 49 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kyj s VAL 50 N -1.87 3.18 -0.13 3.53 1.01 -1.14 -4.56 120.40 120.41 3kyj s VAL 50 Ca 0.19 0.69 0.16 0.00 0.00 0.00 0.00 61.98 63.02 3kyj s VAL 50 Cb 0.09 -3.44 -0.24 0.00 0.00 0.00 0.00 36.38 32.79 3kyj s VAL 50 CO 0.14 0.01 0.36 0.47 0.00 0.00 0.00 175.10 176.09 3kyj n ASP 51 N 5.11 0.37 -3.72 3.32 8.00 0.21 -4.27 116.55 125.56 3kyj n ASP 51 Ca 0.14 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 3kyj n ASP 51 Cb 0.41 0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 42.03 3kyj n ASP 51 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kyj s LEU 52 N -5.65 0.31 -0.16 0.64 2.96 -0.87 -1.16 118.68 114.76 3kyj s LEU 52 Ca -0.07 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3kyj s LEU 52 Cb 0.07 0.95 -0.01 0.00 0.50 0.00 0.00 46.19 47.70 3kyj s LEU 52 CO 0.83 -0.17 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.94 3kyj s ILE 53 N 1.19 2.98 -0.30 6.68 1.01 0.34 -1.01 121.20 132.08 3kyj s ILE 53 Ca -0.08 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 3kyj s ILE 53 Cb -0.09 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3kyj s ILE 53 CO -0.09 0.50 0.16 -0.76 0.00 0.00 0.00 174.94 174.76 3kyj s LEU 54 N 0.73 4.07 -0.12 2.97 1.43 -0.12 -0.71 118.68 126.93 3kyj s LEU 54 Ca -0.05 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3kyj s LEU 54 Cb -0.15 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.05 3kyj s LEU 54 CO 0.02 -0.16 -0.12 -0.22 0.23 0.00 0.00 176.35 176.10 3kyj s LEU 55 N 1.66 1.53 0.01 1.79 2.96 -0.31 -0.53 118.68 125.79 3kyj s LEU 55 Ca 0.05 -0.40 -0.33 0.00 -0.22 0.00 0.00 54.13 53.23 3kyj s LEU 55 Cb -0.17 -1.02 -0.12 0.00 0.50 0.00 0.00 46.19 45.38 3kyj s LEU 55 CO 0.07 -0.05 1.82 -0.67 -1.32 0.00 0.00 176.35 176.20 3kyj n ASP 56 N 4.62 3.55 0.08 3.68 2.03 -0.39 -0.61 116.55 129.50 3kyj n ASP 56 Ca -0.16 0.99 0.11 0.00 0.52 0.00 0.00 54.79 56.25 3kyj n ASP 56 Cb 0.50 -1.43 0.45 0.00 -0.72 0.00 0.00 41.12 39.93 3kyj n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kyj n ILE 57 N 4.76 0.68 0.57 5.18 3.06 -0.23 -2.51 119.36 130.86 3kyj n ILE 57 Ca 0.20 0.06 0.12 0.00 -2.50 0.00 0.00 62.75 60.64 3kyj n ILE 57 Cb 0.32 -0.88 0.12 0.00 0.54 0.00 0.00 39.64 39.74 3kyj n ILE 57 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3kyj n GLU 58 N -1.98 0.29 -2.07 9.51 1.02 -1.26 -4.88 120.64 121.27 3kyj n GLU 58 Ca 0.04 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 3kyj n GLU 58 Cb 0.29 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3kyj n GLU 58 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3kyj s MET 59 N -3.18 4.25 0.37 3.49 -1.94 -1.05 -4.94 119.30 116.31 3kyj s MET 59 Ca 0.05 2.17 -0.28 0.00 -1.71 0.00 0.00 55.69 55.92 3kyj s MET 59 Cb 0.14 -3.44 -0.11 0.00 2.01 0.00 0.00 34.83 33.42 3kyj s MET 59 CO 0.75 -0.60 1.49 -0.35 -0.01 0.00 0.00 175.02 176.30 3kyj n PRO 60 N 4.90 2.67 -2.47 2.03 -0.04 -1.26 -4.97 135.00 135.87 3kyj n PRO 60 Ca 0.14 0.94 -0.35 0.00 -0.04 0.00 0.00 63.50 64.19 3kyj n PRO 60 Cb 0.42 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3kyj n PRO 60 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kyj s VAL 61 N -1.06 3.62 0.87 0.52 -7.23 -1.26 -4.85 120.40 111.01 3kyj s VAL 61 Ca 0.54 1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 61.64 3kyj s VAL 61 Cb -0.48 -3.43 0.12 0.00 0.56 0.00 0.00 36.38 33.15 3kyj s VAL 61 CO 0.63 -0.19 1.12 -0.04 -0.31 0.00 0.00 175.10 176.31 3kyj s MET 62 N -3.16 1.39 0.52 4.82 1.00 -1.26 -4.85 119.30 117.76 3kyj s MET 62 Ca 0.68 1.39 0.17 0.00 0.00 0.00 0.00 55.69 57.92 3kyj s MET 62 Cb -0.19 -1.78 1.28 0.00 0.00 0.00 0.00 34.83 34.14 3kyj s MET 62 CO 0.23 -2.32 2.14 -0.44 0.00 0.00 0.00 175.02 174.63 3kyj h ASP 63 N -1.64 0.00 -0.16 3.03 3.32 -2.04 -0.39 116.42 118.55 3kyj h ASP 63 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3kyj h ASP 63 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3kyj h ASP 63 CO 0.45 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 3kyj n GLY 64 N -1.47 4.01 4.09 2.75 0.00 -1.26 -4.99 105.19 108.32 3kyj n GLY 64 Ca -0.03 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3kyj n GLY 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kyj n MET 65 N -0.66 -3.14 -0.14 1.61 2.81 -0.16 -4.87 117.12 112.57 3kyj n MET 65 Ca 0.16 0.37 -0.05 0.00 -1.81 0.00 0.00 57.70 56.37 3kyj n MET 65 Cb 0.67 -4.73 0.13 0.00 -0.71 0.00 0.00 33.22 28.58 3kyj n MET 65 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kyj h GLU 66 N -1.70 0.86 0.29 0.03 3.07 -1.94 -0.37 114.58 114.82 3kyj h GLU 66 Ca -0.61 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.00 3kyj h GLU 66 Cb 1.38 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3kyj h GLU 66 CO 0.70 0.85 -0.14 0.35 -1.40 0.00 0.00 179.01 179.37 3kyj h PHE 67 N 0.81 -0.36 -0.72 4.33 3.57 -1.89 -0.50 116.94 122.17 3kyj h PHE 67 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3kyj h PHE 67 Cb 0.45 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3kyj h PHE 67 CO 0.03 -0.01 0.42 1.25 -2.23 0.00 0.00 178.31 177.77 3kyj h LEU 68 N -0.84 0.88 -0.43 0.59 5.85 -1.95 0.30 115.31 119.72 3kyj h LEU 68 Ca -0.04 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3kyj h LEU 68 Cb 0.52 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3kyj h LEU 68 CO 0.07 0.70 0.23 0.03 -0.34 0.00 0.00 178.44 179.12 3kyj h ARG 69 N 0.99 0.45 -0.37 1.25 3.08 -1.09 -0.43 114.38 118.26 3kyj h ARG 69 Ca 0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3kyj h ARG 69 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3kyj h ARG 69 CO -0.05 0.29 0.19 1.25 -1.07 0.00 0.00 179.97 180.59 3kyj h HIS 70 N 0.46 0.51 -0.59 3.04 2.76 -0.59 0.45 115.15 121.19 3kyj h HIS 70 Ca 0.18 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3kyj h HIS 70 Cb 0.06 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 3kyj h HIS 70 CO -0.09 0.42 0.38 0.00 -1.30 0.00 0.00 177.93 177.33 3kyj h ALA 71 N 1.05 0.75 -0.07 5.26 0.00 -0.62 0.94 119.26 126.57 3kyj h ALA 71 Ca 0.13 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3kyj h ALA 71 Cb 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kyj h ALA 71 CO -0.02 0.20 -0.88 -0.22 0.00 0.00 0.00 179.25 178.33 3kyj h LYS 72 N 0.80 0.63 0.00 0.00 1.63 -0.92 -3.15 116.57 115.55 3kyj h LYS 72 Ca 0.21 -0.59 -0.06 0.00 -0.85 0.00 0.00 60.65 59.36 3kyj h LYS 72 Cb -0.06 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3kyj h LYS 72 CO -0.04 1.20 -1.94 1.28 -3.45 0.00 0.00 179.45 176.50 3kyj n LEU 73 N -3.86 0.00 -0.13 5.20 4.77 0.14 -4.47 117.00 118.65 3kyj n LEU 73 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 3kyj n LEU 73 Cb 0.80 0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.98 3kyj n LEU 73 CO 0.53 0.08 0.25 0.29 -1.33 0.00 0.00 177.39 177.21 3kyj n LYS 74 N -2.26 0.77 -4.37 3.23 5.02 0.31 -5.01 118.16 115.85 3kyj n LYS 74 Ca -0.08 -0.60 -0.19 0.00 -2.02 0.00 0.00 58.31 55.42 3kyj n LYS 74 Cb 0.61 -1.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.52 3kyj n LYS 74 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kyj s THR 75 N -0.53 0.72 -0.19 -0.18 -4.23 -1.16 -5.00 115.64 105.06 3kyj s THR 75 Ca 0.04 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.71 3kyj s THR 75 Cb 0.03 -2.65 0.55 0.00 1.34 0.00 0.00 72.50 71.77 3kyj s THR 75 CO 0.07 0.00 1.45 0.54 -0.54 0.00 0.00 174.62 176.14 3kyj n ARG 76 N -0.57 2.94 -1.96 3.99 1.74 -1.26 -4.66 116.66 116.88 3kyj n ARG 76 Ca -0.01 -2.89 -0.40 0.00 -0.77 0.00 0.00 57.85 53.78 3kyj n ARG 76 Cb 0.66 -1.87 -0.00 0.00 -1.02 0.00 0.00 32.46 30.23 3kyj n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kyj s ALA 77 N -2.87 3.37 0.41 7.54 0.00 -1.26 -4.99 121.76 123.97 3kyj s ALA 77 Ca 0.43 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.52 3kyj s ALA 77 Cb 0.35 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 3kyj s ALA 77 CO 0.09 -0.92 1.04 0.15 0.00 0.00 0.00 175.76 176.12 3kyj s LYS 78 N -2.17 4.11 -0.15 0.00 -0.14 -0.31 -4.90 119.74 116.18 3kyj s LYS 78 Ca 0.55 1.47 0.01 0.00 -1.36 0.00 0.00 55.97 56.65 3kyj s LYS 78 Cb -0.41 -2.46 0.02 0.00 -1.68 0.00 0.00 37.83 33.30 3kyj s LYS 78 CO 0.54 -0.18 -0.16 0.42 -0.76 0.00 0.00 175.35 175.21 3kyj s ILE 79 N -1.73 1.71 -0.20 2.17 1.01 -1.26 -0.50 121.20 122.39 3kyj s ILE 79 Ca 0.59 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3kyj s ILE 79 Cb -0.21 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3kyj s ILE 79 CO 0.26 0.48 -0.13 0.00 0.00 0.00 0.00 174.94 175.55 3kyj s MET 81 N 1.36 4.07 -0.18 0.00 -1.94 -0.29 -1.16 119.30 121.16 3kyj s MET 81 Ca 0.05 1.52 -0.03 0.00 -1.71 0.00 0.00 55.69 55.51 3kyj s MET 81 Cb -0.14 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.22 3kyj s MET 81 CO -0.09 -0.23 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.14 3kyj s LEU 82 N -2.80 3.06 -0.05 -0.03 1.43 0.22 -1.42 118.68 119.08 3kyj s LEU 82 Ca 0.60 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3kyj s LEU 82 Cb -0.22 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3kyj s LEU 82 CO 0.27 0.10 -0.09 -0.94 0.23 0.00 0.00 176.35 175.92 3kyj s SER 83 N 0.77 4.43 0.07 2.29 1.04 -0.18 -1.07 113.70 121.05 3kyj s SER 83 Ca -0.02 -0.11 0.27 0.00 0.48 0.00 0.00 55.95 56.57 3kyj s SER 83 Cb -0.15 -1.04 0.93 0.00 0.10 0.00 0.00 66.02 65.87 3kyj s SER 83 CO 0.02 0.34 1.76 -1.20 0.98 0.00 0.00 173.24 175.14 3kyj n SER 84 N 2.11 0.36 -4.54 7.02 7.64 -1.26 -0.50 113.62 124.45 3kyj n SER 84 Ca -0.17 0.38 -0.25 0.00 1.01 0.00 0.00 58.87 59.83 3kyj n SER 84 Cb 0.53 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 3kyj n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kyj s VAL 85 N -3.04 1.80 0.22 0.44 -7.23 -1.26 -4.89 120.40 106.44 3kyj s VAL 85 Ca 0.12 -2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 57.92 3kyj s VAL 85 Cb 0.16 -2.83 -0.13 0.00 0.56 0.00 0.00 36.38 34.14 3kyj s VAL 85 CO 0.59 -0.07 1.45 0.00 -0.31 0.00 0.00 175.10 176.76 3kyj n ALA 86 N -0.83 1.20 -0.17 1.32 0.00 -1.26 -4.70 120.51 116.07 3kyj n ALA 86 Ca -0.04 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 3kyj n ALA 86 Cb 0.66 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3kyj n ALA 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kyj h VAL 87 N 3.19 1.27 -2.56 0.00 2.07 -1.95 -3.37 116.25 114.90 3kyj h VAL 87 Ca -0.45 -1.18 -0.54 0.00 0.82 0.00 0.00 66.70 65.35 3kyj h VAL 87 Cb 1.27 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3kyj h VAL 87 CO 0.79 0.41 1.11 -0.55 0.02 0.00 0.00 177.57 179.35 3kyj s SER 88 N -6.48 6.60 0.00 0.57 0.15 -1.26 -1.66 113.70 111.63 3kyj s SER 88 Ca -0.12 2.38 0.00 0.00 0.70 0.00 0.00 55.95 58.91 3kyj s SER 88 Cb 0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3kyj s SER 88 CO 0.84 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3kyj n GLY 89 N 4.22 0.68 3.94 9.45 0.00 -1.26 -5.07 105.19 117.14 3kyj n GLY 89 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 3kyj n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kyj s SER 90 N -2.89 5.37 0.00 1.61 1.04 -0.66 -5.01 113.70 113.16 3kyj s SER 90 Ca 0.00 -0.56 0.12 0.00 0.48 0.00 0.00 55.95 55.99 3kyj s SER 90 Cb 0.00 -0.68 0.42 0.00 0.10 0.00 0.00 66.02 65.87 3kyj s SER 90 CO 0.00 -0.66 1.32 -0.81 0.98 0.00 0.00 173.24 174.07 3kyj n PRO 91 N -1.66 1.59 0.02 4.02 -0.04 -1.26 -4.52 135.00 133.15 3kyj n PRO 91 Ca 0.05 -0.91 -0.09 0.00 -0.04 0.00 0.00 63.50 62.51 3kyj n PRO 91 Cb 0.60 -1.26 0.06 0.00 -0.04 0.00 0.00 33.50 32.87 3kyj n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kyj h HIS 92 N 1.57 0.61 -0.57 0.54 3.86 -1.94 -0.89 115.15 118.34 3kyj h HIS 92 Ca 0.00 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 58.89 3kyj h HIS 92 Cb 0.36 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3kyj h HIS 92 CO 0.15 0.95 -0.02 0.00 0.86 0.00 0.00 177.93 179.87 3kyj h ALA 93 N 1.01 0.90 -0.29 2.45 0.00 -1.83 -0.34 119.26 121.15 3kyj h ALA 93 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 3kyj h ALA 93 Cb 1.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kyj h ALA 93 CO 0.10 0.65 -0.52 0.00 0.00 0.00 0.00 179.25 179.48 3kyj h ALA 94 N 1.07 0.52 -0.41 0.00 0.00 -1.84 -2.81 119.26 115.77 3kyj h ALA 94 Ca 0.16 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3kyj h ALA 94 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kyj h ALA 94 CO 0.03 0.68 0.01 0.00 0.00 0.00 0.00 179.25 179.98 3kyj h ARG 95 N 0.66 0.66 -0.13 0.00 2.47 -0.95 -2.01 114.38 115.08 3kyj h ARG 95 Ca 0.02 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 3kyj h ARG 95 Cb 1.12 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3kyj h ARG 95 CO 0.12 0.67 0.04 0.00 0.56 0.00 0.00 179.97 181.35 3kyj h ALA 96 N 1.40 0.17 -0.85 0.04 0.00 -1.00 -1.81 119.26 117.21 3kyj h ALA 96 Ca 0.13 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kyj h ALA 96 Cb 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3kyj h ALA 96 CO 0.01 -0.22 0.54 0.00 0.00 0.00 0.00 179.25 179.59 3kyj h ARG 97 N 0.02 1.03 -0.75 0.00 3.08 -1.31 -0.42 114.38 116.03 3kyj h ARG 97 Ca 0.04 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3kyj h ARG 97 Cb 0.22 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3kyj h ARG 97 CO -0.00 0.68 0.28 1.49 -1.07 0.00 0.00 179.97 181.34 3kyj h GLU 98 N 1.06 1.12 0.00 0.04 4.81 -1.12 -1.80 114.58 118.68 3kyj h GLU 98 Ca 0.34 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kyj h GLU 98 Cb 0.01 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3kyj h GLU 98 CO -0.12 0.93 0.00 1.28 -0.73 0.00 0.00 179.01 180.37 3kyj n LEU 99 N -4.27 0.00 0.00 1.64 4.77 -0.70 -4.87 117.00 113.57 3kyj n LEU 99 Ca 0.06 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3kyj n LEU 99 Cb 0.20 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3kyj n LEU 99 CO 0.41 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3kyj n GLY 100 N 0.59 0.73 3.78 -0.72 0.00 -0.68 -5.02 105.19 103.88 3kyj n GLY 100 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3kyj n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyj s ALA 101 N -2.40 2.61 -0.58 4.61 0.00 -0.20 -4.92 121.76 120.89 3kyj s ALA 101 Ca 0.00 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.84 3kyj s ALA 101 Cb 0.00 -3.32 0.36 0.00 0.00 0.00 0.00 23.12 20.16 3kyj s ALA 101 CO 0.00 -0.96 1.37 -0.44 0.00 0.00 0.00 175.76 175.72 3kyj h ASP 102 N 0.62 0.00 -5.58 0.00 3.32 -0.90 -3.39 116.42 110.50 3kyj h ASP 102 Ca -0.48 -0.13 0.23 0.00 0.02 0.00 0.00 57.03 56.67 3kyj h ASP 102 Cb 1.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 3kyj h ASP 102 CO 0.56 0.07 0.71 -0.83 -1.72 0.00 0.00 179.24 178.02 3kyj s GLY 103 N -3.79 0.02 -0.05 2.75 0.00 -1.14 -5.01 107.32 100.09 3kyj s GLY 103 Ca 0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 3kyj s GLY 103 CO 0.71 3.56 0.26 0.54 0.00 0.00 0.00 173.10 178.17 3kyj s VAL 104 N -2.12 0.04 -0.04 1.40 0.11 -1.26 -1.14 120.40 117.39 3kyj s VAL 104 Ca 0.24 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 3kyj s VAL 104 Cb -0.02 -0.47 0.03 0.00 -1.53 0.00 0.00 36.38 34.39 3kyj s VAL 104 CO 0.03 -0.17 0.35 0.54 -3.33 0.00 0.00 175.10 172.52 3kyj s VAL 105 N -0.68 0.04 0.39 2.04 0.11 -0.51 -4.94 120.40 116.86 3kyj s VAL 105 Ca -0.08 -0.36 -0.27 0.00 -2.93 0.00 0.00 61.98 58.34 3kyj s VAL 105 Cb -0.04 -0.63 -0.09 0.00 -1.53 0.00 0.00 36.38 34.08 3kyj s VAL 105 CO 0.02 -0.20 1.31 0.00 -3.33 0.00 0.00 175.10 172.90 3kyj s ALA 106 N -1.08 3.32 0.35 1.54 0.00 -1.26 -1.01 121.76 123.61 3kyj s ALA 106 Ca -0.11 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 3kyj s ALA 106 Cb -0.04 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 3kyj s ALA 106 CO 0.04 -0.80 1.44 0.15 0.00 0.00 0.00 175.76 176.60 3kyj s LYS 107 N -2.15 4.19 0.82 0.00 1.02 0.35 -4.76 119.74 119.20 3kyj s LYS 107 Ca 0.55 2.46 -0.11 0.00 0.02 0.00 0.00 55.97 58.88 3kyj s LYS 107 Cb -0.39 -3.01 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 3kyj s LYS 107 CO 0.50 -0.44 1.09 -1.25 -0.92 0.00 0.00 175.35 174.34 3kyj s PRO 108 N -1.75 1.93 0.14 -1.68 0.04 -1.26 -4.99 135.00 127.42 3kyj s PRO 108 Ca 0.53 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 3kyj s PRO 108 Cb -0.44 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3kyj s PRO 108 CO 0.58 -1.75 0.40 -1.54 0.04 0.00 0.00 177.00 174.72 3kyj s SER 109 N -3.77 -0.19 -0.02 6.66 1.04 -1.26 -5.01 113.70 111.15 3kyj s SER 109 Ca 0.61 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3kyj s SER 109 Cb -0.15 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.59 3kyj s SER 109 CO 0.55 -0.88 0.98 0.61 0.98 0.00 0.00 173.24 175.47 3kyj n GLY 110 N -0.23 0.52 3.80 7.32 0.00 -1.26 -4.82 105.19 110.51 3kyj n GLY 110 Ca -0.14 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3kyj n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyj s THR 111 N -1.63 2.35 0.00 2.61 2.01 -1.26 -5.16 115.64 114.56 3kyj s THR 111 Ca 0.11 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3kyj s THR 111 Cb 0.07 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.71 3kyj s THR 111 CO 0.06 -0.15 0.00 0.55 -0.69 0.00 0.00 174.62 174.39 3kyj n VAL 112 N -3.64 0.00 -0.44 3.82 3.14 -1.26 -5.07 118.33 114.88 3kyj n VAL 112 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3kyj n VAL 112 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 3kyj n VAL 112 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3kyj n LYS 119 N 0.00 3.28 -0.24 1.45 5.02 -1.26 -5.26 118.16 121.15 3kyj n LYS 119 Ca 0.00 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.50 3kyj n LYS 119 Cb 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.37 3kyj n LYS 119 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kyj n THR 120 N 0.00 -0.15 -1.92 -0.18 -2.24 -1.26 -1.73 114.28 106.81 3kyj n THR 120 Ca 0.00 0.99 0.00 0.00 -2.27 0.00 0.00 64.05 62.77 3kyj n THR 120 Cb 0.00 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 3kyj n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kyj n GLY 121 N -1.26 0.53 0.19 3.38 0.00 -1.26 -4.25 105.19 102.51 3kyj n GLY 121 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 3kyj n GLY 121 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kyj h GLY 122 N 0.00 0.59 1.07 -0.02 0.00 -1.77 0.14 103.07 103.07 3kyj h GLY 122 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 3kyj h GLY 122 CO 0.00 0.01 -0.21 -2.09 0.00 0.00 0.00 176.54 174.25 3kyj h GLU 123 N 0.32 0.93 -0.16 4.80 4.81 -1.91 -1.73 114.58 121.63 3kyj h GLU 123 Ca 0.21 -0.40 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3kyj h GLU 123 Cb 0.22 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kyj h GLU 123 CO -0.23 1.06 0.04 1.25 -0.73 0.00 0.00 179.01 180.40 3kyj h LEU 124 N 0.76 0.02 -0.75 1.64 5.85 -1.78 -0.39 115.31 120.66 3kyj h LEU 124 Ca 0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3kyj h LEU 124 Cb 0.78 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3kyj h LEU 124 CO 0.06 0.04 0.42 0.00 -0.34 0.00 0.00 178.44 178.62 3kyj h ALA 125 N 1.11 0.96 -0.64 1.25 0.00 -0.64 -0.83 119.26 120.47 3kyj h ALA 125 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kyj h ALA 125 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kyj h ALA 125 CO -0.09 0.46 0.31 -0.09 0.00 0.00 0.00 179.25 179.85 3kyj h ARG 126 N 1.03 0.91 -0.39 0.00 2.43 -1.01 -1.14 114.38 116.22 3kyj h ARG 126 Ca 0.26 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3kyj h ARG 126 Cb 0.02 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3kyj h ARG 126 CO -0.04 0.72 -0.01 1.15 -1.51 0.00 0.00 179.97 180.28 3kyj h THR 127 N 0.88 1.26 -0.86 0.20 2.02 -0.62 -0.83 112.91 114.97 3kyj h THR 127 Ca 0.22 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.38 3kyj h THR 127 Cb 0.11 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3kyj h THR 127 CO -0.03 0.35 0.57 0.24 0.37 0.00 0.00 175.52 177.02 3kyj h MET 128 N 0.53 1.13 -0.44 6.66 2.86 -0.96 -1.28 114.93 123.43 3kyj h MET 128 Ca 0.11 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 3kyj h MET 128 Cb 0.49 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3kyj h MET 128 CO 0.02 0.75 -0.28 0.00 1.06 0.00 0.00 176.91 178.45 3kyj h ARG 129 N 1.16 0.95 -0.44 1.72 3.08 -0.99 -2.37 114.38 117.49 3kyj h ARG 129 Ca 0.31 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3kyj h ARG 129 Cb -0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3kyj h ARG 129 CO -0.07 1.11 0.24 1.15 -1.07 0.00 0.00 179.97 181.33 3kyj h THR 130 N 0.80 1.16 -0.95 2.04 2.02 -0.85 -1.59 112.91 115.55 3kyj h THR 130 Ca 0.09 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3kyj h THR 130 Cb 0.87 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 3kyj h THR 130 CO 0.08 0.17 0.57 -0.07 0.37 0.00 0.00 175.52 176.63 3kyj h LEU 131 N 0.57 1.14 -0.69 2.58 3.38 -1.10 -1.65 115.31 119.55 3kyj h LEU 131 Ca 0.15 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3kyj h LEU 131 Cb 0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3kyj h LEU 131 CO -0.02 0.88 -0.65 0.24 0.09 0.00 0.00 178.44 178.98 3kyj h MET 132 N 1.31 0.00 0.00 1.13 2.86 -1.12 -3.17 114.93 115.94 3kyj h MET 132 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3kyj h MET 132 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3kyj h MET 132 CO -0.06 0.65 -0.51 0.00 1.06 0.00 0.00 176.91 178.05 3kyj n ALA 133 N -2.41 2.81 0.00 6.32 0.00 -0.63 -5.11 120.51 121.49 3kyj n ALA 133 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3kyj n ALA 133 Cb 0.65 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3kyj n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50