#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 -1.59 0.00 1.61 -0.04 -1.26 -5.10 135.00 128.63 2klx n PRO -2 Ca 0.00 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 2klx n PRO -2 Cb 0.00 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 0.54 4.72 3.13 0.55 0.00 -1.26 -5.08 105.19 107.79 2klx n GLY -1 Ca 0.04 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 1.33 6.13 -0.04 1.61 0.01 -1.26 -5.01 113.70 116.46 2klx s SER 0 Ca 0.00 -3.69 -0.02 0.00 1.31 0.00 0.00 55.95 53.55 2klx s SER 0 Cb 0.00 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.32 2klx s SER 0 CO 0.00 -0.20 0.09 -0.04 0.41 0.00 0.00 173.24 173.51 2klx s MET 1 N -1.32 0.05 1.25 12.44 -1.94 -1.26 -5.10 119.30 123.42 2klx s MET 1 Ca 0.28 0.26 -0.20 0.00 -1.71 0.00 0.00 55.69 54.32 2klx s MET 1 Cb -0.08 -0.16 0.31 0.00 2.01 0.00 0.00 34.83 36.91 2klx s MET 1 CO -0.12 -0.14 1.07 0.15 -0.01 0.00 0.00 175.02 175.98 2klx s LYS 2 N 0.92 -1.62 0.04 2.03 -0.14 -0.31 -4.94 119.74 115.71 2klx s LYS 2 Ca -0.07 -0.02 0.04 0.00 -1.36 0.00 0.00 55.97 54.56 2klx s LYS 2 Cb -0.10 -1.55 -0.02 0.00 -1.68 0.00 0.00 37.83 34.49 2klx s LYS 2 CO -0.04 -3.98 -0.12 -2.00 -0.76 0.00 0.00 175.35 168.45 2klx s GLU 3 N -5.33 0.83 -0.07 1.68 2.12 -0.68 -4.10 118.70 113.15 2klx s GLU 3 Ca 0.70 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 55.36 2klx s GLU 3 Cb -0.10 -0.80 -0.02 0.00 0.26 0.00 0.00 34.13 33.46 2klx s GLU 3 CO 0.57 0.20 -0.16 -1.50 -0.54 0.00 0.00 175.26 173.82 2klx s ILE 4 N -0.86 2.86 -0.08 -3.70 -1.16 -1.24 -1.10 121.20 115.92 2klx s ILE 4 Ca -0.00 -0.78 0.00 0.00 -0.51 0.00 0.00 60.65 59.36 2klx s ILE 4 Cb -0.08 -2.12 0.02 0.00 0.61 0.00 0.00 42.46 40.90 2klx s ILE 4 CO 0.01 0.57 -0.05 -0.63 -2.81 0.00 0.00 174.94 172.03 2klx s ILE 5 N -0.42 0.74 -0.22 2.00 1.01 0.92 -1.36 121.20 123.86 2klx s ILE 5 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 2klx s ILE 5 Cb -0.12 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 2klx s ILE 5 CO 0.02 0.30 0.13 -1.48 0.00 0.00 0.00 174.94 173.91 2klx s LEU 6 N 1.43 4.06 -0.33 2.97 2.34 -0.25 0.40 118.68 129.31 2klx s LEU 6 Ca -0.02 0.13 -0.08 0.00 0.06 0.00 0.00 54.13 54.22 2klx s LEU 6 Cb -0.13 -2.07 0.02 0.00 -0.56 0.00 0.00 46.19 43.45 2klx s LEU 6 CO -0.04 0.12 0.13 -0.31 -1.06 0.00 0.00 176.35 175.19 2klx s TYR 7 N 0.72 3.20 -0.01 3.48 2.02 -0.28 -0.47 117.35 126.01 2klx s TYR 7 Ca 0.07 -1.03 -0.28 0.00 -0.37 0.00 0.00 57.07 55.46 2klx s TYR 7 Cb -0.13 -2.32 0.09 0.00 -0.40 0.00 0.00 41.96 39.21 2klx s TYR 7 CO 0.02 -0.62 1.28 0.25 -1.57 0.00 0.00 175.55 174.90 2klx n THR 8 N 4.90 0.00 -3.06 -0.71 -2.24 -0.64 -2.18 114.28 110.35 2klx n THR 8 Ca -0.13 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 2klx n THR 8 Cb 0.47 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.02 3.57 0.00 -0.78 1.70 -1.26 -1.61 118.95 118.55 2klx s ARG 9 Ca 0.30 0.01 0.14 0.00 -0.47 0.00 0.00 55.73 55.71 2klx s ARG 9 Cb -0.01 -2.53 0.66 0.00 -0.57 0.00 0.00 34.95 32.50 2klx s ARG 9 CO -0.00 0.02 1.43 -0.35 -1.08 0.00 0.00 175.30 175.32 2klx n PRO 10 N -1.70 0.09 -1.25 3.89 -0.04 -1.26 -2.72 135.00 132.00 2klx n PRO 10 Ca -0.02 0.21 -0.26 0.00 -0.04 0.00 0.00 63.50 63.39 2klx n PRO 10 Cb 0.55 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 2klx n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2klx n ASN 11 N -1.41 5.02 -4.20 3.54 4.13 -1.26 -4.85 115.26 116.23 2klx n ASN 11 Ca 0.05 -3.69 -0.41 0.00 1.68 0.00 0.00 54.58 52.21 2klx n ASN 11 Cb 0.15 -0.86 -0.07 0.00 -1.54 0.00 0.00 39.78 37.46 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2klx h PRO 13 N 7.79 0.00 0.00 0.00 0.13 -1.91 -2.66 132.00 135.34 2klx h PRO 13 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2klx h PRO 13 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2klx h PRO 13 CO 0.78 0.46 0.00 0.98 -0.23 0.00 0.00 178.00 179.99 2klx n TYR 14 N -3.90 0.55 0.22 1.56 9.36 -1.26 -2.32 117.16 121.37 2klx n TYR 14 Ca -0.01 0.21 0.11 0.00 3.32 0.00 0.00 57.90 61.52 2klx n TYR 14 Cb 0.49 -0.84 0.39 0.00 -0.63 0.00 0.00 39.34 38.75 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 0.19 0.39 0.00 1.57 -1.62 -0.11 116.57 116.98 2klx h LYS 16 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2klx h LYS 16 Cb 0.84 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2klx h LYS 16 CO 0.02 0.13 -0.19 0.00 -0.57 0.00 0.00 179.45 178.85 2klx h ARG 17 N 0.20 -0.50 0.58 3.15 -0.00 -1.79 -0.34 114.38 115.67 2klx h ARG 17 Ca 0.60 0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 60.10 2klx h ARG 17 Cb 1.93 0.11 -0.01 0.00 0.00 0.00 0.00 29.97 32.01 2klx h ARG 17 CO -0.18 -0.22 -0.38 0.00 0.00 0.00 0.00 179.97 179.18 2klx h ALA 18 N -0.21 -0.95 -0.86 0.04 0.00 -1.27 -1.47 119.26 114.54 2klx h ALA 18 Ca -0.05 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.83 2klx h ALA 18 Cb 0.51 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2klx h ALA 18 CO 0.09 -1.05 0.56 0.07 0.00 0.00 0.00 179.25 178.91 2klx h ARG 19 N -0.92 0.55 -0.70 0.00 0.11 -1.33 -0.03 114.38 112.07 2klx h ARG 19 Ca -0.07 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.91 2klx h ARG 19 Cb 0.76 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.68 2klx h ARG 19 CO 0.05 0.37 0.18 -0.44 0.10 0.00 0.00 179.97 180.23 2klx h ASP 20 N 0.57 1.06 -0.05 0.08 5.19 -0.55 -1.58 116.42 121.14 2klx h ASP 20 Ca 0.43 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2klx h ASP 20 Cb 0.83 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 2klx h ASP 20 CO -0.18 1.01 0.02 0.25 -3.12 0.00 0.00 179.24 177.22 2klx h LEU 21 N 1.05 0.07 0.52 1.55 5.85 0.03 0.98 115.31 125.36 2klx h LEU 21 Ca 0.22 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2klx h LEU 21 Cb 0.36 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2klx h LEU 21 CO 0.00 0.25 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.96 2klx h LEU 22 N -0.11 -0.80 -1.82 2.25 3.38 -1.31 -1.01 115.31 115.88 2klx h LEU 22 Ca 0.02 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2klx h LEU 22 Cb 0.20 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2klx h LEU 22 CO -0.00 -0.50 0.15 -0.78 0.09 0.00 0.00 178.44 177.40 2klx h ASP 23 N -0.80 0.20 -0.51 -0.43 3.58 -1.31 -1.27 116.42 115.89 2klx h ASP 23 Ca -0.06 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 2klx h ASP 23 Cb 0.65 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2klx h ASP 23 CO 0.06 0.14 0.02 0.50 -2.88 0.00 0.00 179.24 177.08 2klx h LYS 24 N 0.24 0.90 -0.06 0.28 1.63 -0.26 -2.93 116.57 116.37 2klx h LYS 24 Ca 0.09 -0.28 -0.14 0.00 -0.85 0.00 0.00 60.65 59.47 2klx h LYS 24 Cb 0.07 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2klx h LYS 24 CO -0.02 0.92 -0.61 0.87 -3.45 0.00 0.00 179.45 177.16 2klx h LYS 25 N 0.77 0.20 0.00 1.90 1.79 -0.39 -3.48 116.57 117.36 2klx h LYS 25 Ca 0.15 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2klx h LYS 25 Cb 0.50 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2klx h LYS 25 CO 0.02 0.75 0.00 0.41 -1.08 0.00 0.00 179.45 179.55 2klx n GLY 26 N 0.26 0.60 3.49 3.86 0.00 -0.55 -5.12 105.19 107.73 2klx n GLY 26 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.12 1.01 -0.32 1.61 -7.23 -1.12 -5.05 120.40 108.19 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 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.32 2klx s VAL 27 CO 0.00 0.00 0.13 -0.75 -0.31 0.00 0.00 175.10 174.17 2klx s LYS 28 N -3.84 3.05 -0.03 4.82 2.47 -1.26 -4.57 119.74 120.38 2klx s LYS 28 Ca 0.31 -0.90 -0.01 0.00 -1.56 0.00 0.00 55.97 53.81 2klx s LYS 28 Cb 0.07 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.88 2klx s LYS 28 CO 0.15 -0.52 0.06 1.52 0.16 0.00 0.00 175.35 176.72 2klx s TYR 29 N 1.53 3.26 -0.29 4.03 -0.85 -1.26 -4.08 117.35 119.69 2klx s TYR 29 Ca 0.03 0.21 -0.09 0.00 -0.52 0.00 0.00 57.07 56.70 2klx s TYR 29 Cb -0.18 -1.75 -0.02 0.00 0.38 0.00 0.00 41.96 40.39 2klx s TYR 29 CO 0.04 0.54 0.13 0.99 -1.52 0.00 0.00 175.55 175.73 2klx s THR 30 N -1.10 4.54 -0.26 -3.49 2.01 -0.47 -5.00 115.64 111.87 2klx s THR 30 Ca 0.20 -0.31 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 2klx s THR 30 Cb -0.12 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 2klx s THR 30 CO 0.10 0.17 0.87 1.51 -0.69 0.00 0.00 174.62 176.58 2klx s ASP 31 N 1.62 6.85 -0.25 3.53 -4.77 -1.26 -1.09 116.67 121.30 2klx s ASP 31 Ca 0.05 1.02 -0.07 0.00 -3.30 0.00 0.00 52.55 50.26 2klx s ASP 31 Cb -0.16 -2.45 -0.02 0.00 -1.09 0.00 0.00 42.92 39.19 2klx s ASP 31 CO 0.06 -0.58 0.05 -0.63 0.70 0.00 0.00 175.17 174.77 2klx s ILE 32 N 2.97 4.09 0.43 2.11 -1.09 0.37 -4.98 121.20 125.09 2klx s ILE 32 Ca 0.36 -0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 58.23 2klx s ILE 32 Cb -0.15 -2.93 -0.08 0.00 -1.58 0.00 0.00 42.46 37.72 2klx s ILE 32 CO 0.09 0.32 1.26 1.51 -1.23 0.00 0.00 174.94 176.88 2klx s ASP 33 N 1.57 6.23 0.63 3.58 1.47 -1.25 -1.62 116.67 127.28 2klx s ASP 33 Ca 0.06 2.55 0.37 0.00 1.18 0.00 0.00 52.55 56.72 2klx s ASP 33 Cb -0.15 -2.63 2.04 0.00 -0.34 0.00 0.00 42.92 41.84 2klx s ASP 33 CO 0.02 -0.89 2.15 0.00 0.68 0.00 0.00 175.17 177.12 2klx h ALA 34 N 2.47 1.11 -0.66 2.11 0.00 -1.66 -3.38 119.26 119.25 2klx h ALA 34 Ca -0.49 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 2klx h ALA 34 Cb 1.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2klx h ALA 34 CO 0.62 -0.11 1.53 0.45 0.00 0.00 0.00 179.25 181.74 2klx n SER 35 N -2.92 1.39 0.12 0.00 2.88 -1.26 -4.72 113.62 109.11 2klx n SER 35 Ca -0.02 0.25 0.19 0.00 -1.33 0.00 0.00 58.87 57.96 2klx n SER 35 Cb 0.17 -1.15 0.76 0.00 -0.75 0.00 0.00 64.21 63.24 2klx n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2klx h THR 36 N 7.42 0.38 -1.04 2.46 1.03 -1.94 0.19 112.91 121.41 2klx h THR 36 Ca -0.17 0.00 0.29 0.00 -0.01 0.00 0.00 66.41 66.52 2klx h THR 36 Cb 1.33 0.68 -0.05 0.00 -1.07 0.00 0.00 68.15 69.04 2klx h THR 36 CO 1.16 0.00 0.73 0.28 -0.01 0.00 0.00 175.52 177.67 2klx h SER 37 N 0.00 0.12 0.00 0.00 0.02 -1.94 -1.04 113.55 110.72 2klx h SER 37 Ca 0.17 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2klx h SER 37 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2klx h SER 37 CO -0.00 0.03 -0.83 0.18 -1.14 0.00 0.00 176.83 175.07 2klx n LEU 38 N -4.33 1.28 -0.22 5.07 4.77 -0.29 -4.67 117.00 118.61 2klx n LEU 38 Ca 0.23 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 2klx n LEU 38 Cb 1.04 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 42.37 2klx n LEU 38 CO 0.36 0.21 1.24 -0.09 -1.33 0.00 0.00 177.39 177.79 2klx h ARG 39 N 0.00 0.98 -0.69 3.23 1.12 -0.63 -1.52 114.38 116.87 2klx h ARG 39 Ca 0.00 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 2klx h ARG 39 Cb 0.83 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.53 2klx h ARG 39 CO 0.00 0.65 0.30 0.37 -3.11 0.00 0.00 179.97 178.18 2klx h GLN 40 N 1.01 1.01 -0.25 0.20 4.15 -1.39 0.27 115.11 120.11 2klx h GLN 40 Ca 0.29 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 2klx h GLN 40 Cb -0.08 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 2klx h GLN 40 CO -0.07 0.82 -0.03 0.93 -1.93 0.00 0.00 178.83 178.55 2klx h GLU 41 N 0.97 0.47 0.15 1.69 4.39 -1.58 -0.43 114.58 120.24 2klx h GLU 41 Ca 0.23 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2klx h GLU 41 Cb 0.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2klx h GLU 41 CO -0.02 0.66 -0.07 0.52 -1.16 0.00 0.00 179.01 178.94 2klx h MET 42 N 0.23 -0.20 -0.26 2.33 2.86 -1.14 -1.45 114.93 117.30 2klx h MET 42 Ca 0.07 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2klx h MET 42 Cb 0.47 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2klx h MET 42 CO 0.02 0.12 0.18 -0.24 1.06 0.00 0.00 176.91 178.05 2klx h VAL 43 N -0.53 1.02 0.03 -2.22 3.04 -0.50 0.20 116.25 117.27 2klx h VAL 43 Ca -0.02 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 2klx h VAL 43 Cb 0.41 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2klx h VAL 43 CO 0.03 0.05 -0.01 1.56 -1.01 0.00 0.00 177.57 178.19 2klx h GLN 44 N 0.27 -0.04 0.00 4.17 1.08 -0.94 -0.40 115.11 119.26 2klx h GLN 44 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2klx h GLN 44 Cb 0.09 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2klx h GLN 44 CO -0.02 0.48 0.00 -2.13 -0.95 0.00 0.00 178.83 176.20 2klx n ARG 45 N -4.86 0.02 -0.02 1.46 3.00 -0.56 0.83 116.66 116.54 2klx n ARG 45 Ca -0.09 0.16 -0.21 0.00 -0.00 0.00 0.00 57.85 57.72 2klx n ARG 45 Cb 0.27 -1.53 -0.14 0.00 0.00 0.00 0.00 32.46 31.06 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx n ALA 46 N -1.53 0.94 0.00 5.13 0.00 0.65 -4.81 120.51 120.89 2klx n ALA 46 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2klx n ALA 46 Cb 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2klx n ALA 46 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2klx n ASN 47 N -3.53 0.81 -0.44 0.00 6.94 -0.22 -4.89 115.26 113.93 2klx n ASN 47 Ca -0.34 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 2klx n ASN 47 Cb 1.02 0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.49 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2klx n GLY 48 N 1.36 0.48 3.65 4.83 0.00 0.24 -4.99 105.19 110.76 2klx n GLY 48 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.21 0.18 -0.08 1.61 6.06 -1.25 -4.97 118.95 119.28 2klx s ARG 49 Ca 0.00 0.23 -0.16 0.00 -2.50 0.00 0.00 55.73 53.30 2klx s ARG 49 Cb 0.00 0.08 -0.05 0.00 0.06 0.00 0.00 34.95 35.04 2klx s ARG 49 CO 0.00 -0.02 0.41 -0.80 -2.50 0.00 0.00 175.30 172.39 2klx s ASN 50 N 0.29 6.69 0.01 -2.12 0.02 -1.26 -4.60 114.94 113.96 2klx s ASN 50 Ca 0.03 0.82 -0.00 0.00 -1.02 0.00 0.00 52.86 52.69 2klx s ASN 50 Cb -0.05 -2.25 0.00 0.00 0.02 0.00 0.00 41.25 38.98 2klx s ASN 50 CO -0.13 0.16 0.02 0.41 0.02 0.00 0.00 177.10 177.59 2klx n THR 51 N 2.85 0.00 -0.67 1.60 -1.04 -1.26 -5.16 114.28 110.60 2klx n THR 51 Ca -0.11 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 2klx n THR 51 Cb 0.52 0.02 0.17 0.00 -1.82 0.00 0.00 70.33 69.23 2klx n THR 51 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2klx s PHE 52 N -7.45 1.57 0.38 -1.42 0.40 -1.26 -4.95 117.98 105.24 2klx s PHE 52 Ca 0.00 1.76 -0.26 0.00 -0.60 0.00 0.00 56.93 57.84 2klx s PHE 52 Cb -0.00 -3.34 -0.09 0.00 0.51 0.00 0.00 43.02 40.11 2klx s PHE 52 CO 0.00 -2.92 1.20 -1.25 0.70 0.00 0.00 175.22 172.95 2klx s PRO 53 N -4.63 4.14 0.38 0.24 0.04 -1.26 -5.04 135.00 128.87 2klx s PRO 53 Ca 0.67 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 63.55 2klx s PRO 53 Cb -0.23 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.55 2klx s PRO 53 CO 0.58 -0.27 0.64 1.14 0.04 0.00 0.00 177.00 179.13 2klx s GLN 54 N -2.14 2.12 -0.33 4.56 1.03 -0.93 -4.80 119.66 119.19 2klx s GLN 54 Ca 0.55 -1.65 -0.13 0.00 0.04 0.00 0.00 55.36 54.17 2klx s GLN 54 Cb -0.33 0.54 -0.02 0.00 0.03 0.00 0.00 33.01 33.22 2klx s GLN 54 CO 0.42 -0.94 0.24 0.42 -2.54 0.00 0.00 175.29 172.88 2klx s ILE 55 N -2.55 5.29 -0.12 3.63 1.09 0.19 -1.13 121.20 127.60 2klx s ILE 55 Ca 0.24 -0.12 -0.14 0.00 -1.10 0.00 0.00 60.65 59.53 2klx s ILE 55 Cb -0.03 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 2klx s ILE 55 CO 0.17 0.04 0.33 0.12 -0.10 0.00 0.00 174.94 175.50 2klx s PHE 56 N 1.74 3.53 -0.03 3.97 2.19 0.16 -0.58 117.98 128.97 2klx s PHE 56 Ca 0.07 0.70 0.00 0.00 0.33 0.00 0.00 56.93 58.03 2klx s PHE 56 Cb -0.17 -2.33 0.03 0.00 -1.31 0.00 0.00 43.02 39.24 2klx s PHE 56 CO 0.11 0.34 0.00 0.96 1.83 0.00 0.00 175.22 178.46 2klx s ILE 57 N 0.09 0.15 -1.41 3.12 -4.36 -0.48 -0.06 121.20 118.25 2klx s ILE 57 Ca 0.19 0.10 -0.04 0.00 -0.26 0.00 0.00 60.65 60.64 2klx s ILE 57 Cb -0.14 -0.24 0.00 0.00 1.25 0.00 0.00 42.46 43.33 2klx s ILE 57 CO 0.06 0.13 0.35 0.61 0.24 0.00 0.00 174.94 176.34 2klx n GLY 58 N 4.10 -0.29 2.99 6.27 0.00 -0.25 0.30 105.19 118.31 2klx n GLY 58 Ca -0.27 0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.89 -5.07 -3.54 1.61 8.00 -1.26 -4.95 116.55 108.44 2klx n ASP 59 Ca -0.29 -0.23 -0.22 0.00 0.71 0.00 0.00 54.79 54.76 2klx n ASP 59 Cb 0.68 -4.16 -0.15 0.00 -0.02 0.00 0.00 41.12 37.47 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 -3.02 -0.05 0.32 1.24 5.04 0.15 -5.00 117.35 116.03 2klx s TYR 60 Ca 0.26 -0.11 -0.29 0.00 -2.44 0.00 0.00 57.07 54.49 2klx s TYR 60 Cb -0.13 -0.55 -0.11 0.00 0.35 0.00 0.00 41.96 41.53 2klx s TYR 60 CO 0.33 -0.60 1.44 -3.38 -1.34 0.00 0.00 175.55 171.99 2klx s HIS 61 N 2.23 2.86 -0.00 4.97 -3.43 -1.26 -1.38 115.29 119.27 2klx s HIS 61 Ca 0.05 1.15 -0.00 0.00 -0.80 0.00 0.00 55.06 55.46 2klx s HIS 61 Cb -0.16 -3.88 -0.00 0.00 -1.43 0.00 0.00 32.58 27.11 2klx s HIS 61 CO -0.14 -2.66 -0.01 0.28 -2.00 0.00 0.00 174.74 170.21 2klx n VAL 62 N 1.28 0.04 0.00 -5.38 0.31 0.26 -4.91 118.33 109.92 2klx n VAL 62 Ca 0.03 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.71 2klx n VAL 62 Cb 0.40 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 2.08 -0.44 3.93 2.92 0.00 -1.25 -4.92 105.19 107.51 2klx n GLY 63 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 1.69 0.05 -0.02 0.00 -1.26 -0.63 107.32 107.15 2klx s GLY 64 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 2klx s GLY 64 CO 0.00 -0.44 1.47 0.00 0.00 0.00 0.00 173.10 174.13 2klx h ASP 66 N -1.07 0.00 -0.01 0.00 2.03 -1.95 -2.13 116.42 113.29 2klx h ASP 66 Ca -0.10 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 56.23 2klx h ASP 66 Cb 0.83 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.28 2klx h ASP 66 CO 0.14 0.00 -0.32 -0.78 -1.03 0.00 0.00 179.24 177.25 2klx h ASP 67 N 0.00 -0.97 -0.78 4.15 1.82 -1.79 0.15 116.42 119.00 2klx h ASP 67 Ca 0.17 0.13 0.09 0.00 -0.39 0.00 0.00 57.03 57.03 2klx h ASP 67 Cb 0.89 0.39 -0.05 0.00 0.68 0.00 0.00 39.33 41.24 2klx h ASP 67 CO -0.00 -0.38 0.51 0.17 -1.61 0.00 0.00 179.24 177.93 2klx h LEU 68 N -0.47 0.65 0.22 2.28 8.10 -1.36 -1.23 115.31 123.50 2klx h LEU 68 Ca 0.06 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 2klx h LEU 68 Cb 0.56 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2klx h LEU 68 CO -0.28 0.39 -0.10 1.88 -4.11 0.00 0.00 178.44 176.22 2klx h TYR 69 N 0.73 -0.27 -0.08 0.17 -1.99 -1.25 -1.30 116.97 112.97 2klx h TYR 69 Ca 0.36 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.12 2klx h TYR 69 Cb 0.43 0.09 -0.05 0.00 2.00 0.00 0.00 36.73 39.20 2klx h TYR 69 CO -0.00 0.07 -0.20 0.00 -0.00 0.00 0.00 178.16 178.02 2klx h ALA 70 N 0.05 -0.19 -0.32 3.88 0.00 -0.31 -0.69 119.26 121.68 2klx h ALA 70 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2klx h ALA 70 Cb 0.45 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2klx h ALA 70 CO 0.05 -0.67 0.09 -0.07 0.00 0.00 0.00 179.25 178.65 2klx h LEU 71 N -0.28 0.08 -1.59 0.00 3.38 -1.29 0.26 115.31 115.88 2klx h LEU 71 Ca 0.08 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.18 2klx h LEU 71 Cb 0.40 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2klx h LEU 71 CO -0.25 0.08 0.40 -0.08 0.09 0.00 0.00 178.44 178.69 2klx h GLU 72 N 0.22 0.46 0.00 1.13 4.81 -0.76 0.35 114.58 120.79 2klx h GLU 72 Ca 0.15 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2klx h GLU 72 Cb 0.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2klx h GLU 72 CO -0.17 0.31 -0.57 -0.97 -0.73 0.00 0.00 179.01 176.88 2klx h ASN 73 N 0.48 0.00 1.75 1.04 -0.73 -0.02 -3.19 115.58 114.91 2klx h ASN 73 Ca 0.28 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.40 2klx h ASN 73 Cb 0.46 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 2klx h ASN 73 CO -0.08 0.27 -0.22 0.11 -0.37 0.00 0.00 177.43 177.14 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.15 -3.47 116.57 121.72 2klx h LYS 74 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2klx h LYS 74 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2klx h LYS 74 CO 0.03 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.03 2klx n GLY 75 N 1.13 -0.23 0.29 3.86 0.00 -0.32 -4.99 105.19 104.93 2klx n GLY 75 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 1.39 -0.16 1.61 4.01 0.10 -4.15 118.16 120.96 2klx n LYS 76 Ca 0.00 -0.58 -0.02 0.00 -0.51 0.00 0.00 58.31 57.19 2klx n LYS 76 Cb 0.00 -1.31 0.06 0.00 -0.51 0.00 0.00 35.03 33.26 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 1.14 -0.21 -0.91 -0.35 6.46 -1.66 -0.24 115.31 119.55 2klx h LEU 77 Ca 0.00 0.12 0.18 0.00 -0.12 0.00 0.00 57.88 58.06 2klx h LEU 77 Cb 0.25 0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 40.28 2klx h LEU 77 CO 0.00 -0.07 0.48 -0.78 -0.62 0.00 0.00 178.44 177.45 2klx h ASP 78 N 0.12 0.55 -0.07 1.25 1.82 -1.90 0.27 116.42 118.47 2klx h ASP 78 Ca 0.25 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.98 2klx h ASP 78 Cb 0.37 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 2klx h ASP 78 CO -0.41 0.18 -0.04 -1.28 -1.61 0.00 0.00 179.24 176.08 2klx h SER 79 N 0.60 0.15 0.22 2.28 0.87 -1.39 -0.36 113.55 115.93 2klx h SER 79 Ca 0.52 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2klx h SER 79 Cb 0.84 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2klx h SER 79 CO -0.41 0.54 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.21 2klx h LEU 80 N -0.23 -0.38 -1.00 2.23 -0.00 -0.15 0.29 115.31 116.07 2klx h LEU 80 Ca 0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2klx h LEU 80 Cb 0.48 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.22 2klx h LEU 80 CO 0.01 -0.24 0.52 -0.07 -0.00 0.00 0.00 178.44 178.66 2klx h LEU 81 N -0.37 1.08 -1.11 1.67 3.38 -0.56 0.16 115.31 119.55 2klx h LEU 81 Ca -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2klx h LEU 81 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2klx h LEU 81 CO 0.01 0.84 -0.16 -0.61 0.09 0.00 0.00 178.44 178.61 2klx h GLN 82 N 1.23 0.00 0.06 1.13 5.75 -0.72 0.26 115.11 122.81 2klx h GLN 82 Ca 0.32 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.52 2klx h GLN 82 Cb -0.03 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2klx h GLN 82 CO -0.06 0.16 -1.58 -0.44 -2.65 0.00 0.00 178.83 174.27 2klx h ASP 83 N 0.00 0.20 0.96 -0.69 3.32 0.66 -3.36 116.42 117.51 2klx h ASP 83 Ca -0.00 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 2klx h ASP 83 Cb 0.71 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2klx h ASP 83 CO 0.02 1.28 -1.11 -0.37 -1.72 0.00 0.00 179.24 177.33 2klx h VAL 84 N 0.03 0.52 -0.03 -1.35 -1.51 -0.61 -1.81 116.25 111.49 2klx h VAL 84 Ca -0.25 -1.91 0.00 0.00 -1.23 0.00 0.00 66.70 63.32 2klx h VAL 84 Cb 1.98 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 33.20 2klx h VAL 84 CO 0.12 0.29 0.00 1.57 -1.23 0.00 0.00 177.57 178.32