#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klx s PRO -2 N 0.00 2.54 0.00 1.61 0.04 -1.26 -4.77 135.00 133.16 2klx s PRO -2 Ca 0.00 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.58 2klx s PRO -2 Cb 0.00 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.44 2klx s PRO -2 CO 0.00 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 173.94 2klx n GLY -1 N 6.64 3.88 3.48 0.56 0.00 -1.26 -5.19 105.19 113.31 2klx n GLY -1 Ca 0.41 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2klx n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2klx s SER 0 N 0.00 -0.06 -0.89 1.61 1.04 -1.26 -5.08 113.70 109.05 2klx s SER 0 Ca 0.00 -0.87 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 2klx s SER 0 Cb 0.00 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 2klx s SER 0 CO 0.00 -1.04 2.01 -0.04 0.98 0.00 0.00 173.24 175.16 2klx s MET 1 N -3.99 2.41 0.07 4.02 -1.94 -1.26 -4.93 119.30 113.69 2klx s MET 1 Ca 0.20 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 2klx s MET 1 Cb 0.01 -5.03 -0.04 0.00 2.01 0.00 0.00 34.83 31.78 2klx s MET 1 CO 0.05 -3.55 -0.00 0.15 -0.01 0.00 0.00 175.02 171.66 2klx s LYS 2 N 7.27 2.58 -0.00 2.03 -0.14 -1.26 -5.11 119.74 125.11 2klx s LYS 2 Ca 0.73 -0.80 -0.03 0.00 -1.36 0.00 0.00 55.97 54.51 2klx s LYS 2 Cb -0.07 -2.56 -0.00 0.00 -1.68 0.00 0.00 37.83 33.51 2klx s LYS 2 CO 0.01 0.55 0.06 -1.83 -0.76 0.00 0.00 175.35 173.38 2klx s GLU 3 N -2.17 0.28 -0.11 1.68 1.03 -1.20 -4.65 118.70 113.57 2klx s GLU 3 Ca 0.25 -0.29 -0.03 0.00 0.03 0.00 0.00 54.97 54.93 2klx s GLU 3 Cb -0.12 0.11 -0.03 0.00 -0.80 0.00 0.00 34.13 33.29 2klx s GLU 3 CO 0.17 -0.05 0.01 -1.50 -1.33 0.00 0.00 175.26 172.56 2klx s ILE 4 N -0.89 4.38 -0.10 1.83 -1.16 -1.26 -1.06 121.20 122.95 2klx s ILE 4 Ca -0.10 -0.21 -0.01 0.00 -0.51 0.00 0.00 60.65 59.82 2klx s ILE 4 Cb -0.06 -2.87 0.03 0.00 0.61 0.00 0.00 42.46 40.17 2klx s ILE 4 CO 0.00 0.57 -0.02 -0.63 -2.81 0.00 0.00 174.94 172.05 2klx s ILE 5 N -0.57 0.64 -0.24 2.00 1.01 -0.17 -1.32 121.20 122.55 2klx s ILE 5 Ca 0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 2klx s ILE 5 Cb -0.12 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2klx s ILE 5 CO 0.02 0.24 0.19 -1.48 0.00 0.00 0.00 174.94 173.91 2klx s LEU 6 N 1.86 4.10 -0.46 2.97 0.05 0.11 0.42 118.68 127.74 2klx s LEU 6 Ca 0.04 0.13 -0.16 0.00 0.05 0.00 0.00 54.13 54.20 2klx s LEU 6 Cb -0.13 -2.15 0.06 0.00 -2.05 0.00 0.00 46.19 41.92 2klx s LEU 6 CO -0.07 0.03 0.39 -0.31 -0.55 0.00 0.00 176.35 175.85 2klx s TYR 7 N 1.21 3.23 -0.66 3.48 1.51 -0.19 -0.36 117.35 125.56 2klx s TYR 7 Ca 0.09 -0.83 0.00 0.00 -1.01 0.00 0.00 57.07 55.32 2klx s TYR 7 Cb -0.14 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 2klx s TYR 7 CO 0.06 -0.77 0.00 0.25 -1.11 0.00 0.00 175.55 173.98 2klx n THR 8 N 5.23 0.00 -4.30 -0.71 -2.24 -0.62 -2.61 114.28 109.03 2klx n THR 8 Ca -0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 2klx n THR 8 Cb 0.44 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 2klx n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2klx s ARG 9 N -1.90 2.20 0.00 -0.78 3.03 -1.26 -3.74 118.95 116.50 2klx s ARG 9 Ca 0.00 -1.38 0.15 0.00 2.03 0.00 0.00 55.73 56.53 2klx s ARG 9 Cb 0.00 -2.15 0.85 0.00 -1.03 0.00 0.00 34.95 32.62 2klx s ARG 9 CO 0.00 0.39 1.37 -0.35 -1.13 0.00 0.00 175.30 175.58 2klx n PRO 10 N -0.58 0.36 0.07 3.89 -0.04 -1.26 -3.27 135.00 134.18 2klx n PRO 10 Ca -0.08 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 2klx n PRO 10 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 2klx n PRO 10 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2klx h ASN 11 N 0.00 -0.21 -2.30 3.54 4.21 -2.05 -3.43 115.58 115.34 2klx h ASN 11 Ca 0.00 -0.32 -0.55 0.00 1.21 0.00 0.00 56.30 56.64 2klx h ASN 11 Cb 0.06 0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.34 2klx h ASN 11 CO 0.00 0.31 1.20 0.00 -1.29 0.00 0.00 177.43 177.65 2klx h PRO 13 N 10.17 0.83 -0.97 0.00 0.13 -1.90 -3.13 132.00 137.14 2klx h PRO 13 Ca -0.49 -0.44 0.19 0.00 -0.87 0.00 0.00 66.00 64.38 2klx h PRO 13 Cb 1.25 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 2klx h PRO 13 CO 0.94 1.08 0.61 -0.92 -0.23 0.00 0.00 178.00 179.48 2klx h TYR 14 N 0.68 0.88 -0.38 1.56 5.03 -1.99 0.28 116.97 123.03 2klx h TYR 14 Ca 0.05 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.50 2klx h TYR 14 Cb 0.97 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2klx h TYR 14 CO 0.06 0.23 0.40 0.00 -1.32 0.00 0.00 178.16 177.52 2klx h LYS 16 N 0.00 0.22 0.20 0.00 1.57 -0.61 -1.16 116.57 116.80 2klx h LYS 16 Ca 0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2klx h LYS 16 Cb 0.98 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2klx h LYS 16 CO -0.00 0.15 -0.10 0.00 -0.57 0.00 0.00 179.45 178.93 2klx h ARG 17 N 0.23 -0.26 0.68 3.15 -0.00 -1.18 -0.12 114.38 116.88 2klx h ARG 17 Ca 0.42 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.89 2klx h ARG 17 Cb 1.29 0.06 -0.00 0.00 0.00 0.00 0.00 29.97 31.32 2klx h ARG 17 CO -0.10 -0.04 -0.39 0.00 0.00 0.00 0.00 179.97 179.45 2klx h ALA 18 N 0.30 -1.01 -0.83 0.04 0.00 -1.40 -0.18 119.26 116.17 2klx h ALA 18 Ca -0.03 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2klx h ALA 18 Cb 0.35 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2klx h ALA 18 CO 0.05 -1.08 0.54 0.07 0.00 0.00 0.00 179.25 178.83 2klx h ARG 19 N -0.99 0.58 -0.34 0.00 0.11 -1.41 0.06 114.38 112.39 2klx h ARG 19 Ca -0.09 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.83 2klx h ARG 19 Cb 0.79 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2klx h ARG 19 CO 0.11 0.38 -0.30 0.22 0.10 0.00 0.00 179.97 180.49 2klx h ASP 20 N 0.60 0.74 0.41 0.08 3.58 -0.61 -1.51 116.42 119.72 2klx h ASP 20 Ca 0.41 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2klx h ASP 20 Cb 0.74 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2klx h ASP 20 CO -0.17 0.99 -0.20 0.25 -2.88 0.00 0.00 179.24 177.23 2klx h LEU 21 N 0.61 -0.47 -0.17 2.28 6.46 0.87 0.26 115.31 125.15 2klx h LEU 21 Ca 0.07 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2klx h LEU 21 Cb 0.81 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 2klx h LEU 21 CO 0.07 -0.28 0.10 -0.07 -0.62 0.00 0.00 178.44 177.64 2klx h LEU 22 N -0.64 0.21 -1.94 2.25 -0.00 -1.45 -1.38 115.31 112.37 2klx h LEU 22 Ca -0.06 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 2klx h LEU 22 Cb 0.47 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2klx h LEU 22 CO 0.09 0.23 -0.11 -0.78 -0.00 0.00 0.00 178.44 177.87 2klx h ASP 23 N 0.18 0.00 -0.11 -0.43 1.82 -1.23 -1.26 116.42 115.39 2klx h ASP 23 Ca 0.06 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.50 2klx h ASP 23 Cb 0.06 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.08 2klx h ASP 23 CO -0.01 0.11 -0.70 0.50 -1.61 0.00 0.00 179.24 177.53 2klx h LYS 24 N 0.00 0.66 -0.06 0.28 3.11 0.19 -3.22 116.57 117.53 2klx h LYS 24 Ca -0.00 -0.57 -0.13 0.00 -2.81 0.00 0.00 60.65 57.14 2klx h LYS 24 Cb 0.24 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 2klx h LYS 24 CO 0.01 1.18 -0.55 0.87 -2.81 0.00 0.00 179.45 178.16 2klx h LYS 25 N 0.33 0.18 0.00 1.90 1.79 -0.80 -3.48 116.57 116.49 2klx h LYS 25 Ca -0.06 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2klx h LYS 25 Cb 1.34 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2klx h LYS 25 CO 0.14 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 2klx n GLY 26 N 0.11 0.70 3.43 3.86 0.00 -0.52 -5.11 105.19 107.66 2klx n GLY 26 Ca -0.02 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.38 1.00 -0.65 1.61 -7.23 -1.04 -5.04 120.40 107.67 2klx s VAL 27 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 2klx s VAL 27 Cb 0.00 -2.71 0.17 0.00 0.56 0.00 0.00 36.38 34.40 2klx s VAL 27 CO 0.00 0.00 0.52 -0.54 -0.31 0.00 0.00 175.10 174.77 2klx s LYS 28 N -3.90 2.88 0.22 4.82 3.01 -1.26 -4.61 119.74 120.91 2klx s LYS 28 Ca 0.35 -2.32 -0.21 0.00 -1.01 0.00 0.00 55.97 52.78 2klx s LYS 28 Cb 0.08 -4.01 -0.08 0.00 -1.01 0.00 0.00 37.83 32.81 2klx s LYS 28 CO 0.15 -1.22 0.74 1.52 0.51 0.00 0.00 175.35 177.05 2klx s TYR 29 N 0.36 3.69 -0.40 3.18 -0.85 -1.26 -4.56 117.35 117.50 2klx s TYR 29 Ca 0.14 1.44 -0.16 0.00 -0.52 0.00 0.00 57.07 57.98 2klx s TYR 29 Cb -0.18 -2.65 0.01 0.00 0.38 0.00 0.00 41.96 39.52 2klx s TYR 29 CO -0.05 0.36 0.36 0.99 -1.52 0.00 0.00 175.55 175.69 2klx s THR 30 N -1.47 5.18 -0.42 -3.49 2.01 -0.44 -4.96 115.64 112.05 2klx s THR 30 Ca 0.42 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 2klx s THR 30 Cb -0.18 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2klx s THR 30 CO 0.22 -0.30 0.93 1.51 -0.69 0.00 0.00 174.62 176.28 2klx s ASP 31 N 1.74 6.58 -0.23 3.53 -4.77 -1.26 -0.71 116.67 121.56 2klx s ASP 31 Ca 0.09 0.34 -0.15 0.00 -3.30 0.00 0.00 52.55 49.52 2klx s ASP 31 Cb -0.18 -2.46 -0.04 0.00 -1.09 0.00 0.00 42.92 39.16 2klx s ASP 31 CO 0.12 -0.97 0.39 -0.63 0.70 0.00 0.00 175.17 174.78 2klx s ILE 32 N 3.65 5.19 0.45 2.11 -1.09 0.51 -4.99 121.20 127.03 2klx s ILE 32 Ca 0.38 0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 59.21 2klx s ILE 32 Cb -0.11 -3.72 -0.08 0.00 -1.58 0.00 0.00 42.46 36.98 2klx s ILE 32 CO 0.23 0.22 1.36 -1.81 -1.23 0.00 0.00 174.94 173.71 2klx s ASP 33 N 1.25 5.94 0.63 3.58 1.01 -1.26 -1.59 116.67 126.23 2klx s ASP 33 Ca 0.17 2.77 0.29 0.00 0.71 0.00 0.00 52.55 56.49 2klx s ASP 33 Cb -0.15 -2.64 1.54 0.00 1.01 0.00 0.00 42.92 42.68 2klx s ASP 33 CO 0.08 -1.12 1.91 0.00 0.21 0.00 0.00 175.17 176.26 2klx h ALA 34 N 2.29 1.76 -0.78 5.23 0.00 -1.95 -3.39 119.26 122.42 2klx h ALA 34 Ca -0.50 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.82 2klx h ALA 34 Cb 1.26 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2klx h ALA 34 CO 0.61 -0.51 1.57 0.43 0.00 0.00 0.00 179.25 181.35 2klx n SER 35 N -3.33 1.48 0.27 0.00 7.64 -1.26 -4.75 113.62 113.67 2klx n SER 35 Ca 0.03 0.13 0.18 0.00 1.01 0.00 0.00 58.87 60.22 2klx n SER 35 Cb 0.51 -1.20 0.93 0.00 -1.01 0.00 0.00 64.21 63.44 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 7.52 0.31 -1.01 0.44 1.35 -1.94 0.11 112.91 119.69 2klx h THR 36 Ca -0.18 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 65.96 2klx h THR 36 Cb 1.31 0.88 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 2klx h THR 36 CO 1.18 0.00 0.71 0.77 -0.25 0.00 0.00 175.52 177.92 2klx h SER 37 N 0.00 0.12 0.00 5.36 4.64 -1.93 -0.20 113.55 121.54 2klx h SER 37 Ca 0.04 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2klx h SER 37 Cb 0.32 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2klx h SER 37 CO -0.00 0.03 -0.83 0.18 -0.87 0.00 0.00 176.83 175.34 2klx n LEU 38 N -4.33 0.89 -0.17 5.97 7.99 -0.66 -4.59 117.00 122.10 2klx n LEU 38 Ca 0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.12 2klx n LEU 38 Cb 1.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.32 2klx n LEU 38 CO 0.36 0.15 0.83 -0.09 -1.51 0.00 0.00 177.39 177.14 2klx h ARG 39 N 0.00 0.82 -0.52 3.23 1.12 -0.75 -0.64 114.38 117.63 2klx h ARG 39 Ca 0.00 -0.24 -0.04 0.00 -1.11 0.00 0.00 59.98 58.60 2klx h ARG 39 Cb 0.83 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 2klx h ARG 39 CO 0.00 0.84 0.19 0.37 -3.11 0.00 0.00 179.97 178.26 2klx h GLN 40 N 0.69 0.80 -0.48 0.20 4.15 -1.22 0.24 115.11 119.49 2klx h GLN 40 Ca 0.14 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2klx h GLN 40 Cb 0.44 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2klx h GLN 40 CO 0.02 0.72 -0.02 0.93 -1.93 0.00 0.00 178.83 178.54 2klx h GLU 41 N 0.71 0.85 0.09 1.69 4.39 -1.63 0.07 114.58 120.76 2klx h GLU 41 Ca 0.17 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2klx h GLU 41 Cb 0.23 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2klx h GLU 41 CO -0.01 0.91 -0.04 1.98 -1.16 0.00 0.00 179.01 180.68 2klx h MET 42 N 0.71 -0.12 -0.04 2.33 4.05 -0.94 -0.86 114.93 120.06 2klx h MET 42 Ca 0.13 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2klx h MET 42 Cb 0.53 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 2klx h MET 42 CO 0.03 0.28 -0.07 -0.24 0.23 0.00 0.00 176.91 177.14 2klx h VAL 43 N -0.55 1.07 -0.04 -5.77 3.04 -0.54 0.29 116.25 113.75 2klx h VAL 43 Ca -0.01 -0.32 -0.10 0.00 -1.01 0.00 0.00 66.70 65.26 2klx h VAL 43 Cb 0.45 1.12 0.01 0.00 -2.01 0.00 0.00 31.29 30.85 2klx h VAL 43 CO 0.02 0.10 -0.35 1.56 -1.01 0.00 0.00 177.57 177.88 2klx h GLN 44 N 0.05 0.31 0.00 4.17 4.20 -0.90 0.21 115.11 123.16 2klx h GLN 44 Ca 0.01 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2klx h GLN 44 Cb 0.15 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2klx h GLN 44 CO 0.01 0.95 0.00 -2.13 -0.67 0.00 0.00 178.83 176.99 2klx n ARG 45 N -4.41 0.05 -0.07 1.46 0.63 -0.33 0.59 116.66 114.57 2klx n ARG 45 Ca -0.09 0.08 -0.20 0.00 -0.92 0.00 0.00 57.85 56.72 2klx n ARG 45 Cb 0.53 -1.56 -0.13 0.00 0.45 0.00 0.00 32.46 31.75 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2klx n ALA 46 N -1.55 1.15 -0.10 5.13 0.00 0.99 -4.73 120.51 121.40 2klx n ALA 46 Ca 0.06 -0.85 -0.19 0.00 0.00 0.00 0.00 53.44 52.46 2klx n ALA 46 Cb 0.33 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 2klx n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2klx n ASN 47 N -3.45 1.77 0.00 0.00 5.15 0.06 -4.89 115.26 113.90 2klx n ASN 47 Ca -0.40 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 2klx n ASN 47 Cb 1.00 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2klx n GLY 48 N 1.98 3.11 2.73 8.20 0.00 0.20 -5.01 105.19 116.40 2klx n GLY 48 Ca -0.38 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 0.12 0.24 1.61 3.52 -1.25 -4.81 118.95 118.39 2klx s ARG 49 Ca 0.00 -0.05 0.12 0.00 -0.13 0.00 0.00 55.73 55.67 2klx s ARG 49 Cb 0.00 0.01 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 2klx s ARG 49 CO 0.00 -0.17 -0.22 1.21 -0.81 0.00 0.00 175.30 175.31 2klx s ASN 50 N 1.91 3.52 0.00 -2.12 3.84 -1.26 -5.03 114.94 115.80 2klx s ASN 50 Ca 0.15 -0.96 0.12 0.00 0.21 0.00 0.00 52.86 52.39 2klx s ASN 50 Cb 0.04 -0.28 0.20 0.00 -0.55 0.00 0.00 41.25 40.67 2klx s ASN 50 CO -0.15 0.08 1.03 1.07 -2.79 0.00 0.00 177.10 176.34 2klx n THR 51 N -0.21 0.00 -3.72 -5.21 5.66 -1.26 -4.82 114.28 104.72 2klx n THR 51 Ca -0.08 -0.47 -0.14 0.00 -3.05 0.00 0.00 64.05 60.31 2klx n THR 51 Cb 0.58 0.69 -0.09 0.00 -1.55 0.00 0.00 70.33 69.96 2klx n THR 51 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2klx s PHE 52 N 0.00 -0.33 0.43 1.09 -0.71 -1.26 -5.16 117.98 112.04 2klx s PHE 52 Ca 0.16 0.62 -0.24 0.00 -1.04 0.00 0.00 56.93 56.43 2klx s PHE 52 Cb 0.18 0.16 -0.08 0.00 -1.21 0.00 0.00 43.02 42.07 2klx s PHE 52 CO -0.08 -0.38 1.18 -1.25 -1.34 0.00 0.00 175.22 173.35 2klx s PRO 53 N -0.91 3.91 -0.02 1.99 0.04 -1.26 -5.02 135.00 133.73 2klx s PRO 53 Ca -0.10 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 2klx s PRO 53 Cb -0.04 -2.56 0.10 0.00 0.04 0.00 0.00 34.50 32.05 2klx s PRO 53 CO 0.04 -0.44 1.29 1.14 0.04 0.00 0.00 177.00 179.08 2klx s GLN 54 N -2.48 0.36 -0.32 4.56 0.00 -1.07 -4.83 119.66 115.89 2klx s GLN 54 Ca 0.60 -0.23 -0.14 0.00 -0.00 0.00 0.00 55.36 55.59 2klx s GLN 54 Cb -0.30 0.10 -0.02 0.00 0.00 0.00 0.00 33.01 32.79 2klx s GLN 54 CO 0.38 -0.17 0.33 0.42 0.00 0.00 0.00 175.29 176.25 2klx s ILE 55 N -2.09 5.20 0.04 3.63 1.09 -1.26 -1.02 121.20 126.78 2klx s ILE 55 Ca 0.26 0.14 -0.10 0.00 -1.10 0.00 0.00 60.65 59.86 2klx s ILE 55 Cb 0.01 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 2klx s ILE 55 CO -0.02 0.00 0.36 0.12 -0.10 0.00 0.00 174.94 175.31 2klx s PHE 56 N 1.98 3.60 -0.18 3.97 2.19 0.17 -0.01 117.98 129.69 2klx s PHE 56 Ca 0.11 0.75 -0.04 0.00 0.33 0.00 0.00 56.93 58.08 2klx s PHE 56 Cb -0.16 -2.13 0.07 0.00 -1.31 0.00 0.00 43.02 39.50 2klx s PHE 56 CO 0.11 0.57 0.16 0.96 1.83 0.00 0.00 175.22 178.85 2klx s ILE 57 N -1.32 -0.21 0.00 3.12 -4.36 0.84 -0.99 121.20 118.28 2klx s ILE 57 Ca 0.30 -0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 2klx s ILE 57 Cb -0.14 -0.60 0.00 0.00 1.25 0.00 0.00 42.46 42.97 2klx s ILE 57 CO 0.16 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.74 2klx n GLY 58 N 5.30 0.56 0.73 6.27 0.00 -0.22 -1.18 105.19 116.65 2klx n GLY 58 Ca -0.06 0.57 0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 4.57 0.89 -4.03 1.61 8.00 -1.26 -4.91 116.55 121.41 2klx n ASP 59 Ca 0.00 -2.41 -0.13 0.00 0.71 0.00 0.00 54.79 52.96 2klx n ASP 59 Cb 0.00 -0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 40.67 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 -0.87 0.58 -0.34 1.24 5.04 -0.33 -4.98 117.35 117.69 2klx s TYR 60 Ca 0.20 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.37 2klx s TYR 60 Cb 0.20 -0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.19 2klx s TYR 60 CO -0.05 -0.07 0.11 -3.38 -1.34 0.00 0.00 175.55 170.82 2klx s HIS 61 N -1.04 3.24 0.00 4.97 -3.43 -1.26 -0.11 115.29 117.65 2klx s HIS 61 Ca -0.07 -1.32 0.00 0.00 -0.80 0.00 0.00 55.06 52.87 2klx s HIS 61 Cb -0.08 -2.29 0.00 0.00 -1.43 0.00 0.00 32.58 28.79 2klx s HIS 61 CO 0.00 -0.70 0.79 0.28 -2.00 0.00 0.00 174.74 173.11 2klx n VAL 62 N 4.84 0.00 0.00 -5.38 0.31 0.98 -4.97 118.33 114.11 2klx n VAL 62 Ca -0.13 1.29 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 2klx n VAL 62 Cb 0.45 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.88 3.68 3.45 2.92 0.00 -1.26 -4.95 105.19 108.15 2klx n GLY 63 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2klx n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2klx s GLY 64 N 0.00 0.56 0.23 -0.02 0.00 -1.26 -4.45 107.32 102.38 2klx s GLY 64 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 2klx s GLY 64 CO 0.00 -0.76 1.78 0.00 0.00 0.00 0.00 173.10 174.12 2klx h ASP 66 N 1.01 0.00 0.56 0.00 3.58 -1.96 -3.26 116.42 116.34 2klx h ASP 66 Ca 0.22 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 2klx h ASP 66 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2klx h ASP 66 CO -0.01 0.50 -0.27 0.44 -2.88 0.00 0.00 179.24 177.02 2klx h ASP 67 N 0.00 -0.65 -0.93 2.28 5.19 -1.83 0.50 116.42 120.97 2klx h ASP 67 Ca -0.01 0.02 0.13 0.00 -0.62 0.00 0.00 57.03 56.55 2klx h ASP 67 Cb 1.17 0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.78 2klx h ASP 67 CO 0.07 -0.46 0.59 0.17 -3.12 0.00 0.00 179.24 176.49 2klx h LEU 68 N -0.76 0.78 0.23 1.55 8.10 -1.60 -0.62 115.31 122.99 2klx h LEU 68 Ca -0.08 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2klx h LEU 68 Cb 0.58 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2klx h LEU 68 CO 0.12 0.42 -0.11 1.88 -4.11 0.00 0.00 178.44 176.64 2klx h TYR 69 N 0.84 -0.28 -0.43 0.17 -1.99 -1.52 -1.62 116.97 112.13 2klx h TYR 69 Ca 0.46 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.26 2klx h TYR 69 Cb 0.57 0.09 -0.07 0.00 2.00 0.00 0.00 36.73 39.33 2klx h TYR 69 CO -0.00 0.05 0.04 0.00 -0.00 0.00 0.00 178.16 178.25 2klx h ALA 70 N 0.01 0.43 -0.09 3.88 0.00 -0.39 -0.82 119.26 122.27 2klx h ALA 70 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2klx h ALA 70 Cb 0.46 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2klx h ALA 70 CO 0.05 -0.36 0.03 -0.07 0.00 0.00 0.00 179.25 178.91 2klx h LEU 71 N 0.16 0.04 -1.80 0.00 3.38 -1.14 0.23 115.31 116.18 2klx h LEU 71 Ca 0.21 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2klx h LEU 71 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2klx h LEU 71 CO -0.32 0.04 0.31 1.05 0.09 0.00 0.00 178.44 179.61 2klx h GLU 72 N 0.08 0.23 0.00 1.13 4.11 -0.73 0.37 114.58 119.78 2klx h GLU 72 Ca 0.04 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 2klx h GLU 72 Cb 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2klx h GLU 72 CO -0.04 0.15 -0.82 -0.97 0.07 0.00 0.00 179.01 177.40 2klx h ASN 73 N 0.23 0.00 1.66 3.06 -0.73 -0.39 -3.25 115.58 116.16 2klx h ASN 73 Ca 0.21 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.33 2klx h ASN 73 Cb 0.51 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 2klx h ASN 73 CO -0.04 0.50 -0.21 0.11 -0.37 0.00 0.00 177.43 177.42 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.14 -3.47 116.57 121.71 2klx h LYS 74 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2klx h LYS 74 Cb 1.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2klx h LYS 74 CO 0.06 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.05 2klx n GLY 75 N 1.01 -0.17 0.32 3.86 0.00 -0.29 -4.99 105.19 104.93 2klx n GLY 75 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.42 -0.15 1.61 4.01 0.11 -4.10 118.16 121.06 2klx n LYS 76 Ca 0.00 -0.63 -0.04 0.00 -0.51 0.00 0.00 58.31 57.13 2klx n LYS 76 Cb 0.00 -1.28 0.05 0.00 -0.51 0.00 0.00 35.03 33.29 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 1.18 0.20 -0.91 -0.35 6.46 -1.66 -1.08 115.31 119.15 2klx h LEU 77 Ca 0.00 0.05 0.18 0.00 -0.12 0.00 0.00 57.88 57.99 2klx h LEU 77 Cb 0.26 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.11 2klx h LEU 77 CO 0.00 0.15 0.48 0.44 -0.62 0.00 0.00 178.44 178.89 2klx h ASP 78 N 0.35 0.55 -0.07 1.25 3.32 -1.90 0.22 116.42 120.15 2klx h ASP 78 Ca 0.21 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 2klx h ASP 78 Cb 0.20 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2klx h ASP 78 CO -0.21 0.17 -0.10 -1.28 -1.72 0.00 0.00 179.24 176.10 2klx h SER 79 N 0.60 0.21 0.07 6.45 0.87 -1.61 -0.57 113.55 119.57 2klx h SER 79 Ca 0.53 -0.52 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2klx h SER 79 Cb 0.86 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2klx h SER 79 CO -0.42 0.69 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.35 2klx h LEU 80 N -0.27 -0.44 -0.54 2.23 -0.00 -0.18 -0.17 115.31 115.95 2klx h LEU 80 Ca 0.01 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 2klx h LEU 80 Cb 0.65 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 2klx h LEU 80 CO 0.02 -0.23 0.21 -0.07 -0.00 0.00 0.00 178.44 178.38 2klx h LEU 81 N -0.30 0.74 -1.58 1.67 3.38 -0.68 -0.99 115.31 117.56 2klx h LEU 81 Ca 0.03 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2klx h LEU 81 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2klx h LEU 81 CO -0.10 0.71 0.34 -0.61 0.09 0.00 0.00 178.44 178.88 2klx h GLN 82 N 0.73 0.52 0.15 1.13 5.75 -0.79 0.21 115.11 122.82 2klx h GLN 82 Ca 0.18 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2klx h GLN 82 Cb 0.20 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2klx h GLN 82 CO -0.01 0.34 -0.07 0.22 -2.65 0.00 0.00 178.83 176.66 2klx h ASP 83 N 0.54 -0.18 -0.77 -0.69 1.82 -0.57 -3.31 116.42 113.26 2klx h ASP 83 Ca 0.21 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 57.05 2klx h ASP 83 Cb 0.17 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 2klx h ASP 83 CO -0.06 0.17 0.53 -0.37 -1.61 0.00 0.00 179.24 177.90 2klx h VAL 84 N -0.80 0.70 0.00 2.25 -1.51 -1.14 -3.17 116.25 112.59 2klx h VAL 84 Ca -0.02 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2klx h VAL 84 Cb 0.16 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.77 2klx h VAL 84 CO 0.03 0.04 0.00 1.57 -1.23 0.00 0.00 177.57 177.99