#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klx n PRO -2 N 0.00 -2.62 0.00 1.61 -0.04 -1.26 -5.08 135.00 127.60 2klx n PRO -2 Ca 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2klx n PRO -2 Cb 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2klx n PRO -2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2klx n GLY -1 N -2.98 4.13 3.56 0.55 0.00 -1.26 -5.15 105.19 104.05 2klx n GLY -1 Ca 0.11 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2klx n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2klx s SER 0 N 0.00 1.74 0.00 1.61 0.01 -1.26 -5.03 113.70 110.77 2klx s SER 0 Ca 0.00 1.67 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2klx s SER 0 Cb 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2klx s SER 0 CO 0.00 -3.76 0.00 0.80 0.41 0.00 0.00 173.24 170.69 2klx n MET 1 N -4.63 0.00 -3.40 12.44 1.56 0.33 -5.06 117.12 118.36 2klx n MET 1 Ca 0.06 0.05 -0.22 0.00 -0.27 0.00 0.00 57.70 57.31 2klx n MET 1 Cb 0.54 -0.35 0.03 0.00 2.15 0.00 0.00 33.22 35.59 2klx n MET 1 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2klx s LYS 2 N -0.52 2.32 0.05 2.12 1.02 0.43 -5.06 119.74 120.10 2klx s LYS 2 Ca 0.00 -1.77 0.05 0.00 0.02 0.00 0.00 55.97 54.27 2klx s LYS 2 Cb 0.00 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 2klx s LYS 2 CO 0.00 -0.70 -0.14 -1.83 -0.92 0.00 0.00 175.35 171.75 2klx s GLU 3 N -4.47 0.90 -0.10 1.68 1.03 -0.71 -4.21 118.70 112.82 2klx s GLU 3 Ca 0.50 -0.86 -0.01 0.00 0.03 0.00 0.00 54.97 54.63 2klx s GLU 3 Cb -0.04 -0.92 -0.03 0.00 -0.80 0.00 0.00 34.13 32.34 2klx s GLU 3 CO 0.31 0.22 -0.03 -1.50 -1.33 0.00 0.00 175.26 172.93 2klx s ILE 4 N -1.04 4.00 -0.05 1.83 -1.16 -1.25 -1.14 121.20 122.39 2klx s ILE 4 Ca 0.00 -0.35 0.01 0.00 -0.51 0.00 0.00 60.65 59.80 2klx s ILE 4 Cb -0.09 -2.68 0.02 0.00 0.61 0.00 0.00 42.46 40.32 2klx s ILE 4 CO 0.02 0.58 -0.05 -0.63 -2.81 0.00 0.00 174.94 172.05 2klx s ILE 5 N -0.57 0.56 -0.24 2.00 1.01 -0.09 -1.48 121.20 122.40 2klx s ILE 5 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 2klx s ILE 5 Cb -0.12 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 2klx s ILE 5 CO 0.02 0.23 0.07 -1.48 0.00 0.00 0.00 174.94 173.78 2klx s LEU 6 N 0.96 3.49 -0.34 2.97 0.05 -0.45 0.56 118.68 125.91 2klx s LEU 6 Ca -0.10 -0.16 -0.10 0.00 0.05 0.00 0.00 54.13 53.81 2klx s LEU 6 Cb -0.14 -1.92 0.02 0.00 -2.05 0.00 0.00 46.19 42.09 2klx s LEU 6 CO -0.00 0.00 0.17 -0.31 -0.55 0.00 0.00 176.35 175.66 2klx s TYR 7 N 1.40 3.22 -0.05 3.48 2.02 -0.21 -0.74 117.35 126.46 2klx s TYR 7 Ca 0.05 -0.89 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 2klx s TYR 7 Cb -0.15 -2.38 0.10 0.00 -0.40 0.00 0.00 41.96 39.13 2klx s TYR 7 CO 0.03 -0.59 1.33 0.95 -1.57 0.00 0.00 175.55 175.70 2klx s THR 8 N 1.55 0.00 0.44 -0.71 -4.23 -0.70 -2.09 115.64 109.91 2klx s THR 8 Ca 0.02 -0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.38 2klx s THR 8 Cb -0.18 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2klx s THR 8 CO 0.06 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 174.89 2klx s ARG 9 N -2.02 3.60 0.00 3.99 3.03 -1.26 -0.03 118.95 126.26 2klx s ARG 9 Ca 0.30 0.22 0.15 0.00 2.03 0.00 0.00 55.73 58.42 2klx s ARG 9 Cb 0.00 -2.42 0.68 0.00 -1.03 0.00 0.00 34.95 32.18 2klx s ARG 9 CO -0.02 -0.11 1.43 -0.35 -1.13 0.00 0.00 175.30 175.12 2klx n PRO 10 N -1.90 0.10 -1.13 3.89 -0.04 -1.26 -2.79 135.00 131.88 2klx n PRO 10 Ca 0.01 0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 2klx n PRO 10 Cb 0.55 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.64 2klx n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2klx n ASN 11 N -1.40 4.65 -4.18 3.54 2.85 -1.26 -4.81 115.26 114.65 2klx n ASN 11 Ca 0.05 -3.48 -0.40 0.00 -0.11 0.00 0.00 54.58 50.64 2klx n ASN 11 Cb 0.14 -0.85 -0.07 0.00 1.24 0.00 0.00 39.78 40.24 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2klx h PRO 13 N 7.46 0.00 0.00 0.00 0.13 -1.92 -2.68 132.00 134.99 2klx h PRO 13 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2klx h PRO 13 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2klx h PRO 13 CO 0.74 0.44 0.00 0.98 -0.23 0.00 0.00 178.00 179.94 2klx n TYR 14 N -3.88 0.86 0.28 1.56 9.36 -1.26 -2.32 117.16 121.76 2klx n TYR 14 Ca -0.01 0.34 0.17 0.00 3.32 0.00 0.00 57.90 61.72 2klx n TYR 14 Cb 0.49 -1.05 0.80 0.00 -0.63 0.00 0.00 39.34 38.95 2klx n TYR 14 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2klx h LYS 16 N 0.00 0.18 0.41 0.00 2.10 -1.65 0.30 116.57 117.91 2klx h LYS 16 Ca -0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2klx h LYS 16 Cb 0.38 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2klx h LYS 16 CO 0.01 0.12 -0.19 0.00 -2.00 0.00 0.00 179.45 177.38 2klx h ARG 17 N 0.19 -0.52 0.67 0.07 3.08 -1.78 0.02 114.38 116.11 2klx h ARG 17 Ca 0.63 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.68 2klx h ARG 17 Cb 2.02 0.12 0.01 0.00 0.08 0.00 0.00 29.97 32.19 2klx h ARG 17 CO -0.20 -0.29 -0.32 0.00 -1.07 0.00 0.00 179.97 178.10 2klx h ALA 18 N -0.11 -0.89 -0.76 0.04 0.00 -1.21 -1.35 119.26 114.98 2klx h ALA 18 Ca -0.06 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.84 2klx h ALA 18 Cb 0.48 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2klx h ALA 18 CO 0.09 -0.97 0.53 0.07 0.00 0.00 0.00 179.25 178.96 2klx h ARG 19 N -0.95 0.20 -0.29 0.00 0.11 -1.28 0.48 114.38 112.65 2klx h ARG 19 Ca -0.09 -0.01 -0.18 0.00 0.10 0.00 0.00 59.98 59.79 2klx h ARG 19 Cb 0.70 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2klx h ARG 19 CO 0.15 0.13 -0.53 0.22 0.10 0.00 0.00 179.97 180.04 2klx h ASP 20 N 0.20 0.97 -0.43 0.08 3.58 -0.60 -1.09 116.42 119.12 2klx h ASP 20 Ca 0.37 -0.53 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2klx h ASP 20 Cb 1.17 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2klx h ASP 20 CO -0.07 1.32 0.21 0.25 -2.88 0.00 0.00 179.24 178.07 2klx h LEU 21 N 0.66 0.56 0.04 2.28 7.12 0.21 0.18 115.31 126.36 2klx h LEU 21 Ca 0.02 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 2klx h LEU 21 Cb 1.14 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2klx h LEU 21 CO 0.12 0.52 -0.02 -0.07 -0.13 0.00 0.00 178.44 178.86 2klx h LEU 22 N 0.56 -0.04 -2.15 2.25 3.38 -1.39 -1.49 115.31 116.42 2klx h LEU 22 Ca 0.15 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2klx h LEU 22 Cb 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2klx h LEU 22 CO -0.02 0.40 -0.05 -0.78 0.09 0.00 0.00 178.44 178.08 2klx h ASP 23 N -0.50 0.00 0.08 -0.43 3.58 -1.15 -0.42 116.42 117.58 2klx h ASP 23 Ca -0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 2klx h ASP 23 Cb 0.45 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.53 2klx h ASP 23 CO 0.01 0.05 -1.13 0.50 -2.88 0.00 0.00 179.24 175.78 2klx h LYS 24 N 0.00 0.62 -0.06 0.28 3.11 -0.51 -3.27 116.57 116.74 2klx h LYS 24 Ca -0.00 -0.78 -0.13 0.00 -2.81 0.00 0.00 60.65 56.93 2klx h LYS 24 Cb 0.10 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2klx h LYS 24 CO 0.01 1.35 -0.55 0.87 -2.81 0.00 0.00 179.45 178.31 2klx h LYS 25 N 0.25 0.18 -0.30 1.90 6.56 -0.63 -3.48 116.57 121.05 2klx h LYS 25 Ca -0.16 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2klx h LYS 25 Cb 1.81 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.48 2klx h LYS 25 CO 0.22 0.68 0.00 0.41 -2.06 0.00 0.00 179.45 178.70 2klx n GLY 26 N 0.13 0.70 3.51 3.86 0.00 -0.23 -5.10 105.19 108.06 2klx n GLY 26 Ca -0.02 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2klx n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2klx s VAL 27 N -1.67 0.78 -0.37 1.61 -7.23 -1.08 -5.04 120.40 107.40 2klx s VAL 27 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2klx s VAL 27 Cb 0.00 -2.46 0.07 0.00 0.56 0.00 0.00 36.38 34.55 2klx s VAL 27 CO 0.00 0.00 0.14 -0.54 -0.31 0.00 0.00 175.10 174.39 2klx s LYS 28 N -3.78 2.45 -0.04 4.82 3.01 -1.26 -4.69 119.74 120.26 2klx s LYS 28 Ca 0.26 -1.40 -0.04 0.00 -1.01 0.00 0.00 55.97 53.78 2klx s LYS 28 Cb 0.04 -3.51 -0.04 0.00 -1.01 0.00 0.00 37.83 33.31 2klx s LYS 28 CO 0.14 -0.81 0.17 1.52 0.51 0.00 0.00 175.35 176.87 2klx s TYR 29 N 1.33 3.56 -0.24 3.18 -0.85 -1.26 -4.28 117.35 118.78 2klx s TYR 29 Ca 0.01 0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 56.88 2klx s TYR 29 Cb -0.21 -1.86 -0.04 0.00 0.38 0.00 0.00 41.96 40.23 2klx s TYR 29 CO 0.00 0.67 0.11 0.99 -1.52 0.00 0.00 175.55 175.80 2klx s THR 30 N -1.24 4.82 -0.13 -3.49 2.01 -0.55 -5.01 115.64 112.06 2klx s THR 30 Ca 0.24 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 2klx s THR 30 Cb -0.12 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 2klx s THR 30 CO 0.14 0.35 0.69 -0.62 -0.69 0.00 0.00 174.62 174.50 2klx s ASP 31 N 1.22 6.87 -0.19 3.53 2.15 -1.26 -1.35 116.67 127.64 2klx s ASP 31 Ca 0.06 1.05 -0.01 0.00 0.43 0.00 0.00 52.55 54.08 2klx s ASP 31 Cb -0.14 -2.39 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 2klx s ASP 31 CO 0.05 -0.22 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.06 2klx s ILE 32 N 1.41 2.56 0.46 4.11 -1.09 0.08 -4.96 121.20 123.77 2klx s ILE 32 Ca 0.34 -0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 57.74 2klx s ILE 32 Cb -0.17 -2.12 -0.08 0.00 -1.58 0.00 0.00 42.46 38.52 2klx s ILE 32 CO 0.14 0.50 1.40 -1.81 -1.23 0.00 0.00 174.94 173.94 2klx s ASP 33 N 1.35 5.83 0.56 3.58 1.11 -1.25 -1.71 116.67 126.13 2klx s ASP 33 Ca 0.05 2.87 0.37 0.00 0.18 0.00 0.00 52.55 56.02 2klx s ASP 33 Cb -0.14 -2.65 2.03 0.00 1.07 0.00 0.00 42.92 43.23 2klx s ASP 33 CO -0.09 -1.20 2.14 0.00 1.18 0.00 0.00 175.17 177.20 2klx h ALA 34 N 2.23 1.01 -1.07 5.23 0.00 -0.78 -3.39 119.26 122.49 2klx h ALA 34 Ca -0.51 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.71 2klx h ALA 34 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2klx h ALA 34 CO 0.61 -0.01 1.29 0.43 0.00 0.00 0.00 179.25 181.57 2klx n SER 35 N -2.81 2.05 0.30 0.00 7.64 -1.26 -4.76 113.62 114.77 2klx n SER 35 Ca -0.02 0.60 0.16 0.00 1.01 0.00 0.00 58.87 60.61 2klx n SER 35 Cb 0.07 -1.19 0.92 0.00 -1.01 0.00 0.00 64.21 62.99 2klx n SER 35 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2klx h THR 36 N 6.66 0.47 -1.05 0.44 1.35 -1.94 0.23 112.91 119.06 2klx h THR 36 Ca -0.29 -0.09 0.30 0.00 -0.55 0.00 0.00 66.41 65.77 2klx h THR 36 Cb 1.33 1.06 -0.05 0.00 -1.73 0.00 0.00 68.15 68.76 2klx h THR 36 CO 1.01 0.02 0.74 0.77 -0.25 0.00 0.00 175.52 177.81 2klx h SER 37 N 0.00 0.11 0.00 5.36 4.64 -1.95 -0.86 113.55 120.86 2klx h SER 37 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2klx h SER 37 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2klx h SER 37 CO 0.00 0.02 -0.79 0.18 -0.87 0.00 0.00 176.83 175.38 2klx n LEU 38 N -4.31 1.45 -0.25 5.97 7.99 -0.85 -4.69 117.00 122.31 2klx n LEU 38 Ca 0.23 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 56.17 2klx n LEU 38 Cb 1.06 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 44.42 2klx n LEU 38 CO 0.36 0.24 1.09 -0.09 -1.51 0.00 0.00 177.39 177.49 2klx h ARG 39 N 0.00 0.96 -0.85 3.23 2.43 -0.53 -1.54 114.38 118.09 2klx h ARG 39 Ca 0.00 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2klx h ARG 39 Cb 0.79 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 2klx h ARG 39 CO 0.00 0.72 0.55 0.37 -1.51 0.00 0.00 179.97 180.11 2klx h GLN 40 N 0.95 0.96 0.07 0.20 -0.00 -1.33 0.20 115.11 116.16 2klx h GLN 40 Ca 0.24 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2klx h GLN 40 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.30 2klx h GLN 40 CO -0.04 0.64 -0.03 0.93 0.00 0.00 0.00 178.83 180.32 2klx h GLU 41 N 0.99 -0.09 0.09 1.69 5.08 -1.59 -0.64 114.58 120.11 2klx h GLU 41 Ca 0.35 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2klx h GLU 41 Cb 0.13 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2klx h GLU 41 CO -0.12 0.39 -0.08 0.52 -1.00 0.00 0.00 179.01 178.72 2klx h MET 42 N -0.64 -0.18 -0.48 2.33 2.86 -1.02 -1.56 114.93 116.24 2klx h MET 42 Ca -0.01 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2klx h MET 42 Cb 0.53 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2klx h MET 42 CO 0.02 -0.12 0.17 -0.24 1.06 0.00 0.00 176.91 177.80 2klx h VAL 43 N -0.19 1.18 0.06 -2.22 3.04 -0.70 0.29 116.25 117.72 2klx h VAL 43 Ca 0.00 -0.59 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2klx h VAL 43 Cb 0.18 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2klx h VAL 43 CO -0.02 0.23 -0.03 -0.61 -1.01 0.00 0.00 177.57 176.13 2klx h GLN 44 N 0.68 -0.08 0.00 4.17 4.15 -0.66 -1.42 115.11 121.95 2klx h GLN 44 Ca 0.16 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2klx h GLN 44 Cb 0.16 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2klx h GLN 44 CO -0.01 0.01 -0.06 0.54 -1.93 0.00 0.00 178.83 177.37 2klx n ARG 45 N -5.10 0.05 0.07 1.69 3.00 -0.63 0.60 116.66 116.34 2klx n ARG 45 Ca -0.08 0.03 -0.21 0.00 -0.01 0.00 0.00 57.85 57.59 2klx n ARG 45 Cb 0.08 -1.55 -0.14 0.00 0.00 0.00 0.00 32.46 30.86 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx h ALA 46 N 2.92 -0.06 0.00 7.54 0.00 0.06 -3.41 119.26 126.31 2klx h ALA 46 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 2klx h ALA 46 Cb 0.54 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2klx h ALA 46 CO 0.00 0.51 -1.44 0.27 0.00 0.00 0.00 179.25 178.59 2klx n ASN 47 N -3.99 3.41 0.00 0.00 0.23 -0.58 -4.89 115.26 109.45 2klx n ASN 47 Ca -0.14 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2klx n ASN 47 Cb 0.89 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2klx n GLY 48 N 3.06 3.76 3.03 4.83 0.00 0.20 -5.08 105.19 114.99 2klx n GLY 48 Ca -0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 2klx n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2klx s ARG 49 N 0.00 0.33 0.88 1.61 6.06 -1.06 -4.66 118.95 122.11 2klx s ARG 49 Ca 0.00 -0.34 -0.14 0.00 -2.50 0.00 0.00 55.73 52.75 2klx s ARG 49 Cb 0.00 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.15 2klx s ARG 49 CO 0.00 -0.07 0.38 0.27 -2.50 0.00 0.00 175.30 173.39 2klx n ASN 50 N 1.89 -2.00 -3.44 -2.12 0.23 -1.26 -4.47 115.26 104.09 2klx n ASN 50 Ca -0.21 0.41 0.02 0.00 -0.53 0.00 0.00 54.58 54.27 2klx n ASN 50 Cb 0.56 -1.19 0.01 0.00 -2.08 0.00 0.00 39.78 37.09 2klx n ASN 50 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2klx n THR 51 N -3.15 0.00 -1.17 5.53 -2.24 -1.26 -4.98 114.28 107.00 2klx n THR 51 Ca 0.07 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 2klx n THR 51 Cb 0.52 0.50 0.12 0.00 -2.10 0.00 0.00 70.33 69.38 2klx n THR 51 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2klx s PHE 52 N -2.18 1.81 0.65 4.78 -0.71 -1.26 -4.97 117.98 116.09 2klx s PHE 52 Ca 0.26 1.66 -0.15 0.00 -1.04 0.00 0.00 56.93 57.65 2klx s PHE 52 Cb -0.01 -3.52 -0.00 0.00 -1.21 0.00 0.00 43.02 38.28 2klx s PHE 52 CO -0.00 -2.89 1.11 -1.25 -1.34 0.00 0.00 175.22 170.85 2klx s PRO 53 N -4.06 2.84 0.03 1.99 0.04 -1.26 -5.04 135.00 129.54 2klx s PRO 53 Ca 0.74 1.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 2klx s PRO 53 Cb -0.30 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.36 2klx s PRO 53 CO 0.50 -1.22 0.99 0.00 0.04 0.00 0.00 177.00 177.30 2klx n GLN 54 N -2.33 0.26 -3.30 4.56 0.00 -0.89 -4.94 117.38 110.74 2klx n GLN 54 Ca 0.10 -0.80 -0.41 0.00 0.00 0.00 0.00 57.00 55.89 2klx n GLN 54 Cb 0.52 1.22 -0.08 0.00 0.00 0.00 0.00 30.24 31.90 2klx n GLN 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2klx s ILE 55 N -2.07 5.07 -0.03 -0.39 1.01 -1.23 -1.05 121.20 122.51 2klx s ILE 55 Ca 0.23 0.27 -0.14 0.00 0.00 0.00 0.00 60.65 61.01 2klx s ILE 55 Cb -0.01 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2klx s ILE 55 CO 0.01 -0.16 0.37 0.12 0.00 0.00 0.00 174.94 175.28 2klx s PHE 56 N 2.26 3.70 -0.06 3.97 2.19 0.19 0.18 117.98 130.42 2klx s PHE 56 Ca 0.16 0.91 -0.02 0.00 0.33 0.00 0.00 56.93 58.31 2klx s PHE 56 Cb -0.16 -2.24 0.04 0.00 -1.31 0.00 0.00 43.02 39.34 2klx s PHE 56 CO 0.13 0.64 0.10 0.96 1.83 0.00 0.00 175.22 178.87 2klx s ILE 57 N -0.98 -0.16 -1.54 3.12 -4.36 -0.26 -0.91 121.20 116.10 2klx s ILE 57 Ca 0.22 0.37 -0.09 0.00 -0.26 0.00 0.00 60.65 60.89 2klx s ILE 57 Cb -0.16 -0.20 0.08 0.00 1.25 0.00 0.00 42.46 43.42 2klx s ILE 57 CO 0.12 0.15 0.64 0.61 0.24 0.00 0.00 174.94 176.70 2klx n GLY 58 N 5.15 -0.35 2.36 6.27 0.00 -0.29 0.08 105.19 118.41 2klx n GLY 58 Ca -0.07 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 2klx n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2klx n ASP 59 N -2.83 -4.38 -3.54 1.61 8.00 -1.26 -4.97 116.55 109.18 2klx n ASP 59 Ca -0.11 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.07 2klx n ASP 59 Cb 0.59 -3.46 -0.15 0.00 -0.02 0.00 0.00 41.12 38.08 2klx n ASP 59 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2klx s TYR 60 N -2.77 0.11 0.43 1.24 5.04 0.11 -4.96 117.35 116.55 2klx s TYR 60 Ca 0.06 -0.46 -0.25 0.00 -2.44 0.00 0.00 57.07 53.98 2klx s TYR 60 Cb -0.03 -0.71 -0.08 0.00 0.35 0.00 0.00 41.96 41.49 2klx s TYR 60 CO 0.07 -0.70 1.35 -3.38 -1.34 0.00 0.00 175.55 171.56 2klx s HIS 61 N 2.17 2.65 -0.03 4.97 -3.43 -1.26 -1.11 115.29 119.26 2klx s HIS 61 Ca 0.06 1.35 -0.04 0.00 -0.80 0.00 0.00 55.06 55.64 2klx s HIS 61 Cb -0.16 -3.77 -0.01 0.00 -1.43 0.00 0.00 32.58 27.21 2klx s HIS 61 CO -0.23 -2.45 -0.07 0.28 -2.00 0.00 0.00 174.74 170.27 2klx n VAL 62 N -0.06 0.44 0.00 -5.38 0.31 0.13 -4.90 118.33 108.86 2klx n VAL 62 Ca 0.05 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2klx n VAL 62 Cb 0.43 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2klx n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2klx n GLY 63 N 2.20 0.46 2.38 2.92 0.00 -1.25 -4.92 105.19 106.97 2klx n GLY 63 Ca -0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2klx n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klx n GLY 64 N 0.00 3.36 0.13 -0.02 0.00 -1.26 -3.52 105.19 103.88 2klx n GLY 64 Ca 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 46.02 43.65 2klx n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klx h ASP 66 N -0.97 0.00 -0.03 0.00 2.03 -1.98 -2.05 116.42 113.42 2klx h ASP 66 Ca -0.02 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.31 2klx h ASP 66 Cb 0.44 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.89 2klx h ASP 66 CO 0.04 0.00 -0.29 0.44 -1.03 0.00 0.00 179.24 178.40 2klx h ASP 67 N 0.00 -0.86 -0.64 4.15 5.19 -1.97 0.22 116.42 122.50 2klx h ASP 67 Ca 0.18 0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.76 2klx h ASP 67 Cb 0.91 0.36 -0.04 0.00 0.18 0.00 0.00 39.33 40.73 2klx h ASP 67 CO -0.00 -0.35 0.42 0.17 -3.12 0.00 0.00 179.24 176.36 2klx h LEU 68 N -0.42 0.57 0.19 1.55 8.10 -1.49 -1.19 115.31 122.63 2klx h LEU 68 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 2klx h LEU 68 Cb 0.52 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2klx h LEU 68 CO -0.27 0.38 -0.09 1.88 -4.11 0.00 0.00 178.44 176.23 2klx h TYR 69 N 0.66 -0.24 -0.41 0.17 -1.99 -1.24 -0.32 116.97 113.61 2klx h TYR 69 Ca 0.27 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.06 2klx h TYR 69 Cb 0.25 0.08 -0.06 0.00 2.00 0.00 0.00 36.73 39.00 2klx h TYR 69 CO -0.00 0.13 0.07 0.00 -0.00 0.00 0.00 178.16 178.36 2klx h ALA 70 N 0.01 0.43 -0.34 3.88 0.00 -0.27 -0.68 119.26 122.30 2klx h ALA 70 Ca -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2klx h ALA 70 Cb 0.48 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2klx h ALA 70 CO 0.04 -0.33 0.11 -0.07 0.00 0.00 0.00 179.25 179.00 2klx h LEU 71 N 0.19 0.49 -1.39 0.00 3.38 -1.26 0.30 115.31 117.01 2klx h LEU 71 Ca 0.20 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2klx h LEU 71 Cb 0.25 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2klx h LEU 71 CO -0.27 0.56 0.49 -0.08 0.09 0.00 0.00 178.44 179.23 2klx h GLU 72 N 0.39 0.67 0.00 1.13 4.81 -0.51 0.34 114.58 121.42 2klx h GLU 72 Ca 0.11 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2klx h GLU 72 Cb 0.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2klx h GLU 72 CO -0.00 0.45 -0.82 -0.97 -0.73 0.00 0.00 179.01 176.94 2klx h ASN 73 N 0.69 0.00 1.42 1.04 -1.24 -0.81 -3.26 115.58 113.42 2klx h ASN 73 Ca 0.34 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.30 2klx h ASN 73 Cb 0.40 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2klx h ASN 73 CO -0.12 0.23 -0.23 0.11 -1.29 0.00 0.00 177.43 176.13 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.12 -3.47 116.57 126.45 2klx h LYS 74 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2klx h LYS 74 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2klx h LYS 74 CO 0.02 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.05 2klx n GLY 75 N 0.75 0.34 0.41 3.86 0.00 -0.32 -4.99 105.19 105.24 2klx n GLY 75 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2klx n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2klx n LYS 76 N 0.00 1.53 -0.36 1.61 4.01 0.11 -4.12 118.16 120.93 2klx n LYS 76 Ca 0.00 -0.81 0.08 0.00 -0.51 0.00 0.00 58.31 57.06 2klx n LYS 76 Cb 0.00 -1.28 0.25 0.00 -0.51 0.00 0.00 35.03 33.49 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2klx h LEU 77 N 1.48 0.92 -0.29 -0.35 6.46 -1.61 -1.20 115.31 120.73 2klx h LEU 77 Ca 0.00 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 2klx h LEU 77 Cb 0.33 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 2klx h LEU 77 CO 0.00 0.48 -0.06 0.44 -0.62 0.00 0.00 178.44 178.68 2klx h ASP 78 N 0.98 -0.25 -0.04 1.25 5.19 -1.90 0.23 116.42 121.88 2klx h ASP 78 Ca 0.51 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.99 2klx h ASP 78 Cb 0.52 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 2klx h ASP 78 CO -0.27 -0.09 0.01 -1.28 -3.12 0.00 0.00 179.24 174.49 2klx h SER 79 N 0.01 0.06 -0.24 6.45 0.87 -1.63 0.29 113.55 119.35 2klx h SER 79 Ca 0.14 -0.25 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2klx h SER 79 Cb 0.21 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 2klx h SER 79 CO -0.29 0.29 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.16 2klx h LEU 80 N -0.17 -0.27 -1.02 2.23 -0.00 -0.93 0.15 115.31 115.31 2klx h LEU 80 Ca 0.01 0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.90 2klx h LEU 80 Cb 0.26 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 2klx h LEU 80 CO 0.00 -0.10 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.23 2klx h LEU 81 N -0.02 0.63 -1.23 1.67 4.07 -0.53 -1.00 115.31 118.90 2klx h LEU 81 Ca 0.12 -0.15 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 2klx h LEU 81 Cb 0.21 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2klx h LEU 81 CO -0.26 0.73 -0.34 -0.61 -1.08 0.00 0.00 178.44 176.87 2klx h GLN 82 N 0.61 0.00 0.13 1.13 4.15 -0.01 0.15 115.11 121.27 2klx h GLN 82 Ca 0.12 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.35 2klx h GLN 82 Cb 0.45 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.16 2klx h GLN 82 CO 0.02 0.34 -0.86 -0.44 -1.93 0.00 0.00 178.83 175.96 2klx h ASP 83 N 0.00 0.42 0.78 -0.69 3.32 -0.17 -3.33 116.42 116.75 2klx h ASP 83 Ca -0.00 -0.94 -0.11 0.00 0.02 0.00 0.00 57.03 56.00 2klx h ASP 83 Cb 0.72 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2klx h ASP 83 CO 0.04 1.40 -0.55 -0.37 -1.72 0.00 0.00 179.24 178.05 2klx h VAL 84 N -0.41 1.22 0.00 -1.35 -1.51 -1.15 -1.89 116.25 111.16 2klx h VAL 84 Ca -0.16 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.32 2klx h VAL 84 Cb 1.62 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.90 2klx h VAL 84 CO 0.12 0.54 0.00 1.57 -1.23 0.00 0.00 177.57 178.57