#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 -1.35 -1.73 1.61 -0.04 -1.26 -4.84 135.00 127.39 2klx n PRO -2 Ca 0.00 -0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 62.84 2klx n PRO -2 Cb 0.00 -0.25 -0.03 0.00 -0.04 0.00 0.00 33.50 33.17 2klx n PRO -2 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2klx s GLY -1 N -2.79 -0.24 -0.15 0.55 0.00 -1.26 -4.89 107.32 98.53 2klx s GLY -1 Ca 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.46 2klx s GLY -1 CO 0.08 3.89 0.30 -1.35 0.00 0.00 0.00 173.10 176.03 2klx s SER 0 N 10.64 0.20 -0.02 1.64 1.04 -1.26 -4.98 113.70 120.96 2klx s SER 0 Ca 0.86 0.69 0.04 0.00 0.48 0.00 0.00 55.95 58.02 2klx s SER 0 Cb -0.15 0.87 -0.06 0.00 0.10 0.00 0.00 66.02 66.78 2klx s SER 0 CO 0.22 -0.24 0.05 0.23 0.98 0.00 0.00 173.24 174.48 2klx n MET 1 N 5.36 1.83 -4.16 4.02 2.81 -1.24 -5.08 117.12 120.66 2klx n MET 1 Ca -0.07 -0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.64 2klx n MET 1 Cb 0.50 -1.10 -0.06 0.00 -0.71 0.00 0.00 33.22 31.85 2klx n MET 1 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2klx s LYS 2 N -2.19 1.82 0.00 0.03 -0.14 -1.26 -5.07 119.74 112.93 2klx s LYS 2 Ca -0.02 -1.84 -0.04 0.00 -1.36 0.00 0.00 55.97 52.71 2klx s LYS 2 Cb 0.02 0.39 -0.01 0.00 -1.68 0.00 0.00 37.83 36.56 2klx s LYS 2 CO 0.17 -0.72 0.07 -1.83 -0.76 0.00 0.00 175.35 172.28 2klx s GLU 3 N -3.25 0.35 -0.11 1.68 -1.05 -0.05 -4.24 118.70 112.04 2klx s GLU 3 Ca 0.34 -0.38 -0.03 0.00 -0.15 0.00 0.00 54.97 54.75 2klx s GLU 3 Cb 0.01 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 2klx s GLU 3 CO 0.22 -0.07 0.01 -1.50 0.95 0.00 0.00 175.26 174.87 2klx s ILE 4 N -1.16 4.39 -0.12 1.83 -1.16 -1.25 -1.63 121.20 122.10 2klx s ILE 4 Ca -0.13 -0.21 -0.03 0.00 -0.51 0.00 0.00 60.65 59.77 2klx s ILE 4 Cb -0.07 -2.87 0.05 0.00 0.61 0.00 0.00 42.46 40.17 2klx s ILE 4 CO 0.00 0.58 0.06 -0.63 -2.81 0.00 0.00 174.94 172.15 2klx s ILE 5 N -0.61 0.02 -0.08 2.00 1.01 0.51 -1.24 121.20 122.80 2klx s ILE 5 Ca 0.10 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 2klx s ILE 5 Cb -0.12 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2klx s ILE 5 CO 0.02 -0.06 0.60 -1.48 0.00 0.00 0.00 174.94 174.02 2klx s LEU 6 N 2.10 4.31 -0.39 2.97 0.05 0.13 0.35 118.68 128.21 2klx s LEU 6 Ca 0.03 1.03 -0.09 0.00 0.05 0.00 0.00 54.13 55.15 2klx s LEU 6 Cb -0.14 -2.90 0.06 0.00 -2.05 0.00 0.00 46.19 41.15 2klx s LEU 6 CO -0.06 -0.04 0.20 -0.31 -0.55 0.00 0.00 176.35 175.58 2klx s TYR 7 N 0.61 3.30 0.00 3.48 2.02 -0.37 -0.92 117.35 125.47 2klx s TYR 7 Ca 0.32 -1.39 0.00 0.00 -0.37 0.00 0.00 57.07 55.63 2klx s TYR 7 Cb -0.17 -2.65 0.00 0.00 -0.40 0.00 0.00 41.96 38.75 2klx s TYR 7 CO 0.15 -0.77 0.00 0.25 -1.57 0.00 0.00 175.55 173.61 2klx n THR 8 N 4.90 0.00 -2.86 -0.71 -2.24 -0.72 -2.72 114.28 109.93 2klx n THR 8 Ca -0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 2klx n THR 8 Cb 0.44 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.00 3.67 1.16 -0.78 1.70 -1.26 -2.87 118.95 118.57 2klx s ARG 9 Ca 0.00 0.30 -0.18 0.00 -0.47 0.00 0.00 55.73 55.38 2klx s ARG 9 Cb 0.00 -2.43 0.27 0.00 -0.57 0.00 0.00 34.95 32.22 2klx s ARG 9 CO 0.00 -0.05 1.11 -1.25 -1.08 0.00 0.00 175.30 174.02 2klx s PRO 10 N -4.12 -0.89 -0.57 3.89 0.04 -1.26 -3.86 135.00 128.24 2klx s PRO 10 Ca 0.49 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2klx s PRO 10 Cb -0.10 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2klx s PRO 10 CO 0.36 -3.52 0.00 0.09 0.04 0.00 0.00 177.00 173.97 2klx n ASN 11 N -4.64 -5.02 -4.60 6.66 3.02 -1.26 -4.94 115.26 104.47 2klx n ASN 11 Ca 0.11 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 2klx n ASN 11 Cb 0.59 -2.99 -0.04 0.00 -0.61 0.00 0.00 39.78 36.73 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2klx h PRO 13 N 8.45 0.00 0.08 0.00 0.13 -1.94 -2.89 132.00 135.82 2klx h PRO 13 Ca -0.24 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.64 2klx h PRO 13 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2klx h PRO 13 CO 0.96 0.00 -1.11 1.88 -0.23 0.00 0.00 178.00 179.50 2klx h TYR 14 N 0.00 0.55 0.00 1.56 0.05 -2.00 -3.19 116.97 113.94 2klx h TYR 14 Ca 0.00 -0.36 -0.01 0.00 0.05 0.00 0.00 58.73 58.41 2klx h TYR 14 Cb 0.40 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 2klx h TYR 14 CO 0.00 1.23 -0.06 0.00 -1.05 0.00 0.00 178.16 178.28 2klx h LYS 16 N 0.00 0.61 0.25 0.00 6.56 -1.65 0.22 116.57 122.56 2klx h LYS 16 Ca -0.00 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2klx h LYS 16 Cb 0.17 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2klx h LYS 16 CO 0.01 0.40 -0.12 0.00 -2.06 0.00 0.00 179.45 177.68 2klx h ARG 17 N 0.63 -0.33 0.31 3.15 -0.00 -1.68 0.48 114.38 116.95 2klx h ARG 17 Ca 0.62 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 60.12 2klx h ARG 17 Cb 1.11 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.14 2klx h ARG 17 CO -0.45 -0.05 -0.22 0.00 0.00 0.00 0.00 179.97 179.25 2klx h ALA 18 N 0.08 -0.52 -0.46 0.04 0.00 -1.38 -1.22 119.26 115.79 2klx h ALA 18 Ca -0.03 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2klx h ALA 18 Cb 0.43 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2klx h ALA 18 CO 0.06 -0.81 0.31 0.07 0.00 0.00 0.00 179.25 178.87 2klx h ARG 19 N -0.53 0.50 -0.07 0.00 0.11 -0.68 -1.60 114.38 112.12 2klx h ARG 19 Ca -0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2klx h ARG 19 Cb 0.46 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2klx h ARG 19 CO 0.00 0.33 0.02 0.22 0.10 0.00 0.00 179.97 180.65 2klx h ASP 20 N 0.52 0.10 -0.22 0.08 3.58 -0.36 -0.59 116.42 119.52 2klx h ASP 20 Ca 0.19 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2klx h ASP 20 Cb 0.10 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2klx h ASP 20 CO -0.05 0.29 0.13 0.25 -2.88 0.00 0.00 179.24 176.98 2klx h LEU 21 N -0.09 0.28 0.72 2.28 6.46 -0.74 0.81 115.31 125.02 2klx h LEU 21 Ca 0.02 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2klx h LEU 21 Cb 0.23 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2klx h LEU 21 CO -0.00 0.27 -0.41 -0.07 -0.62 0.00 0.00 178.44 177.61 2klx h LEU 22 N 0.26 -1.02 -1.27 2.25 4.07 -1.27 -0.12 115.31 118.20 2klx h LEU 22 Ca 0.08 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.19 2klx h LEU 22 Cb 0.05 0.29 -0.06 0.00 1.08 0.00 0.00 40.66 42.02 2klx h LEU 22 CO -0.01 -0.66 0.55 -0.78 -1.08 0.00 0.00 178.44 176.46 2klx h ASP 23 N -1.06 0.73 -0.46 -0.43 3.58 -1.08 -0.61 116.42 117.10 2klx h ASP 23 Ca -0.09 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2klx h ASP 23 Cb 0.84 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2klx h ASP 23 CO 0.11 0.43 0.02 0.11 -2.88 0.00 0.00 179.24 177.04 2klx h LYS 24 N 0.81 0.86 -0.06 0.28 1.79 -0.48 -2.72 116.57 117.06 2klx h LYS 24 Ca 0.39 -0.23 -0.15 0.00 -2.18 0.00 0.00 60.65 58.48 2klx h LYS 24 Cb 0.42 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2klx h LYS 24 CO -0.16 0.84 -0.62 0.87 -1.08 0.00 0.00 179.45 179.30 2klx h LYS 25 N 0.80 0.21 0.00 3.15 6.56 0.41 -3.48 116.57 124.22 2klx h LYS 25 Ca 0.16 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2klx h LYS 25 Cb 0.45 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 2klx h LYS 25 CO 0.02 0.76 0.00 0.41 -2.06 0.00 0.00 179.45 178.58 2klx n GLY 26 N 0.30 0.68 3.51 3.86 0.00 -0.42 -5.10 105.19 108.02 2klx n GLY 26 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.33 1.21 -0.39 1.61 -7.23 -1.13 -5.05 120.40 108.08 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 0.06 0.00 0.56 0.00 0.00 36.38 34.29 2klx s VAL 27 CO 0.00 0.00 0.21 -0.54 -0.31 0.00 0.00 175.10 174.46 2klx s LYS 28 N -3.84 2.60 0.12 4.82 -0.14 -1.26 -4.54 119.74 117.50 2klx s LYS 28 Ca 0.32 -1.36 -0.11 0.00 -1.36 0.00 0.00 55.97 53.46 2klx s LYS 28 Cb 0.07 -3.68 -0.06 0.00 -1.68 0.00 0.00 37.83 32.48 2klx s LYS 28 CO 0.15 -0.85 0.46 1.52 -0.76 0.00 0.00 175.35 175.86 2klx s TYR 29 N 1.42 3.57 -0.22 3.18 -0.85 -1.26 -4.45 117.35 118.74 2klx s TYR 29 Ca 0.02 0.86 -0.07 0.00 -0.52 0.00 0.00 57.07 57.36 2klx s TYR 29 Cb -0.22 -2.22 -0.03 0.00 0.38 0.00 0.00 41.96 39.87 2klx s TYR 29 CO 0.02 0.46 0.06 0.99 -1.52 0.00 0.00 175.55 175.56 2klx s THR 30 N -1.48 4.48 -0.23 -3.49 2.01 -0.37 -5.01 115.64 111.54 2klx s THR 30 Ca 0.37 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.08 2klx s THR 30 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2klx s THR 30 CO 0.19 0.39 0.37 1.51 -0.69 0.00 0.00 174.62 176.40 2klx s ASP 31 N 1.04 6.34 -0.27 3.53 -4.77 -1.26 -0.69 116.67 120.58 2klx s ASP 31 Ca 0.04 0.39 -0.06 0.00 -3.30 0.00 0.00 52.55 49.62 2klx s ASP 31 Cb -0.14 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2klx s ASP 31 CO 0.03 -0.12 0.04 -0.63 0.70 0.00 0.00 175.17 175.19 2klx s ILE 32 N 1.65 3.83 0.45 2.11 -1.09 -0.10 -4.98 121.20 123.07 2klx s ILE 32 Ca 0.17 -0.60 -0.25 0.00 -2.23 0.00 0.00 60.65 57.74 2klx s ILE 32 Cb -0.15 -2.90 -0.08 0.00 -1.58 0.00 0.00 42.46 37.75 2klx s ILE 32 CO 0.08 0.19 1.34 -1.81 -1.23 0.00 0.00 174.94 173.52 2klx s ASP 33 N 1.50 5.95 0.62 3.58 1.11 -1.25 -1.76 116.67 126.42 2klx s ASP 33 Ca 0.04 2.74 0.30 0.00 0.18 0.00 0.00 52.55 55.80 2klx s ASP 33 Cb -0.16 -2.64 1.59 0.00 1.07 0.00 0.00 42.92 42.78 2klx s ASP 33 CO 0.01 -1.10 1.95 0.00 1.18 0.00 0.00 175.17 177.21 2klx h ALA 34 N 2.27 1.72 -0.76 5.23 0.00 -1.89 -3.34 119.26 122.49 2klx h ALA 34 Ca -0.50 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.70 2klx h ALA 34 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2klx h ALA 34 CO 0.61 -0.46 1.39 0.43 0.00 0.00 0.00 179.25 181.21 2klx n SER 35 N -3.35 1.71 0.10 0.00 7.64 -1.26 -4.67 113.62 113.80 2klx n SER 35 Ca 0.02 0.49 0.20 0.00 1.01 0.00 0.00 58.87 60.59 2klx n SER 35 Cb 0.47 -1.15 0.75 0.00 -1.01 0.00 0.00 64.21 63.27 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 7.07 0.38 -1.06 0.44 1.35 -1.94 0.31 112.91 119.46 2klx h THR 36 Ca -0.22 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 65.94 2klx h THR 36 Cb 1.35 0.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 2klx h THR 36 CO 1.04 0.00 0.74 -1.28 -0.25 0.00 0.00 175.52 175.77 2klx h SER 37 N 0.00 0.15 0.00 5.36 0.87 -1.92 -0.69 113.55 117.31 2klx h SER 37 Ca 0.18 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2klx h SER 37 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2klx h SER 37 CO -0.00 0.03 -0.72 -0.11 -0.53 0.00 0.00 176.83 175.50 2klx n LEU 38 N -4.35 0.68 -0.21 2.23 7.94 -0.27 -4.51 117.00 118.52 2klx n LEU 38 Ca 0.23 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.05 2klx n LEU 38 Cb 1.05 0.00 0.02 0.00 0.53 0.00 0.00 43.42 45.02 2klx n LEU 38 CO 0.35 0.11 0.86 -0.09 -1.11 0.00 0.00 177.39 177.52 2klx h ARG 39 N 0.00 1.01 -0.12 1.96 9.65 -0.42 0.26 114.38 126.72 2klx h ARG 39 Ca 0.00 -0.29 -0.12 0.00 -1.10 0.00 0.00 59.98 58.47 2klx h ARG 39 Cb 0.72 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2klx h ARG 39 CO 0.00 0.96 -0.40 0.37 2.80 0.00 0.00 179.97 183.70 2klx h GLN 40 N 0.90 0.48 -0.46 0.20 5.75 -1.30 -0.84 115.11 119.83 2klx h GLN 40 Ca 0.18 -0.36 -0.09 0.00 -0.15 0.00 0.00 58.65 58.23 2klx h GLN 40 Cb 0.47 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 2klx h GLN 40 CO 0.02 0.98 -0.04 0.93 -2.65 0.00 0.00 178.83 178.07 2klx h GLU 41 N 0.07 0.85 0.14 1.69 4.39 -1.57 -0.12 114.58 120.04 2klx h GLU 41 Ca -0.02 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 2klx h GLU 41 Cb 1.03 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2klx h GLU 41 CO 0.09 0.92 -0.07 1.98 -1.16 0.00 0.00 179.01 180.77 2klx h MET 42 N 0.70 -0.19 -0.01 2.33 4.05 -0.53 -1.26 114.93 120.02 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 0.57 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2klx h MET 42 CO 0.03 0.17 -0.07 -0.24 0.23 0.00 0.00 176.91 177.04 2klx h VAL 43 N -0.58 1.06 -0.04 -5.77 3.04 -1.17 0.28 116.25 113.06 2klx h VAL 43 Ca -0.02 -0.26 -0.04 0.00 -1.01 0.00 0.00 66.70 65.37 2klx h VAL 43 Cb 0.45 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2klx h VAL 43 CO 0.03 0.08 -0.11 1.56 -1.01 0.00 0.00 177.57 178.12 2klx h GLN 44 N 0.01 0.14 0.00 4.17 1.08 -0.91 0.30 115.11 119.90 2klx h GLN 44 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2klx h GLN 44 Cb 0.13 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2klx h GLN 44 CO 0.01 0.72 0.00 -2.13 -0.95 0.00 0.00 178.83 176.48 2klx n ARG 45 N -4.65 0.01 -0.10 1.46 0.63 -0.48 0.60 116.66 114.11 2klx n ARG 45 Ca -0.08 0.04 -0.19 0.00 -0.92 0.00 0.00 57.85 56.69 2klx n ARG 45 Cb 0.37 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.66 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 -1.50 1.30 -0.06 5.13 0.00 0.95 -4.77 120.51 121.56 2klx n ALA 46 Ca 0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2klx n ALA 46 Cb 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.38 1.99 0.00 0.00 5.15 0.10 -4.95 115.26 114.17 2klx n ASN 47 Ca -0.43 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 2klx n ASN 47 Cb 0.99 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.97 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 2.58 3.76 3.15 8.20 0.00 0.20 -5.01 105.19 118.07 2klx n GLY 48 Ca -0.23 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 0.13 0.04 1.61 3.52 -1.26 -4.77 118.95 118.22 2klx s ARG 49 Ca 0.00 0.18 -0.18 0.00 -0.13 0.00 0.00 55.73 55.61 2klx s ARG 49 Cb 0.00 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2klx s ARG 49 CO 0.00 -0.18 0.40 1.21 -0.81 0.00 0.00 175.30 175.92 2klx s ASN 50 N 2.97 -0.27 0.00 -2.12 2.47 -1.26 -5.02 114.94 111.71 2klx s ASN 50 Ca 0.10 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.35 2klx s ASN 50 Cb -0.06 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.16 2klx s ASN 50 CO -0.15 -0.66 0.71 1.07 -3.72 0.00 0.00 177.10 174.35 2klx n THR 51 N 0.51 0.00 -4.46 -5.21 5.66 -1.26 -4.80 114.28 104.71 2klx n THR 51 Ca -0.18 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.52 2klx n THR 51 Cb 0.60 0.41 -0.12 0.00 -1.55 0.00 0.00 70.33 69.66 2klx n THR 51 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2klx s PHE 52 N 0.00 2.48 0.35 1.09 0.40 -1.26 -5.12 117.98 115.93 2klx s PHE 52 Ca 0.00 -0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 55.76 2klx s PHE 52 Cb 0.00 -1.36 -0.09 0.00 0.51 0.00 0.00 43.02 42.08 2klx s PHE 52 CO 0.00 0.32 1.21 -1.25 0.70 0.00 0.00 175.22 176.20 2klx s PRO 53 N -1.87 4.26 -0.07 0.24 0.04 -1.26 -5.01 135.00 131.33 2klx s PRO 53 Ca 0.16 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 2klx s PRO 53 Cb -0.10 -2.91 0.10 0.00 0.04 0.00 0.00 34.50 31.63 2klx s PRO 53 CO 0.07 -0.18 1.35 1.14 0.04 0.00 0.00 177.00 179.42 2klx s GLN 54 N -1.96 0.14 -0.19 4.56 1.03 -1.10 -4.72 119.66 117.42 2klx s GLN 54 Ca 0.52 -0.09 -0.05 0.00 0.04 0.00 0.00 55.36 55.78 2klx s GLN 54 Cb -0.34 0.04 -0.02 0.00 0.03 0.00 0.00 33.01 32.71 2klx s GLN 54 CO 0.44 -0.07 -0.01 0.42 -2.54 0.00 0.00 175.29 173.54 2klx s ILE 55 N -2.02 3.88 -0.07 3.63 1.01 -0.89 -1.24 121.20 125.51 2klx s ILE 55 Ca 0.30 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 2klx s ILE 55 Cb 0.01 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 2klx s ILE 55 CO -0.03 0.44 0.36 0.12 0.00 0.00 0.00 174.94 175.83 2klx s PHE 56 N 0.92 3.61 -0.09 3.97 5.36 0.16 0.05 117.98 131.96 2klx s PHE 56 Ca 0.01 0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 56.76 2klx s PHE 56 Cb -0.14 -2.30 0.05 0.00 -0.34 0.00 0.00 43.02 40.28 2klx s PHE 56 CO 0.02 0.48 0.19 0.96 -1.46 0.00 0.00 175.22 175.40 2klx s ILE 57 N -0.41 -0.23 -1.61 3.12 -4.36 -0.19 -0.37 121.20 117.16 2klx s ILE 57 Ca 0.21 0.29 -0.13 0.00 -0.26 0.00 0.00 60.65 60.76 2klx s ILE 57 Cb -0.15 -0.33 0.11 0.00 1.25 0.00 0.00 42.46 43.34 2klx s ILE 57 CO 0.09 0.12 0.69 0.61 0.24 0.00 0.00 174.94 176.69 2klx n GLY 58 N 5.01 -0.38 2.53 6.27 0.00 -0.65 0.20 105.19 118.17 2klx n GLY 58 Ca -0.11 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.76 -4.56 -3.58 1.61 8.00 -1.26 -4.99 116.55 109.00 2klx n ASP 59 Ca -0.03 -0.16 -0.21 0.00 0.71 0.00 0.00 54.79 55.10 2klx n ASP 59 Cb 0.55 -3.48 -0.15 0.00 -0.02 0.00 0.00 41.12 38.01 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 -2.92 -0.08 0.38 1.24 5.04 0.13 -5.00 117.35 116.14 2klx s TYR 60 Ca 0.17 0.14 -0.26 0.00 -2.44 0.00 0.00 57.07 54.67 2klx s TYR 60 Cb -0.07 -0.45 -0.09 0.00 0.35 0.00 0.00 41.96 41.69 2klx s TYR 60 CO 0.21 -0.48 1.22 -3.38 -1.34 0.00 0.00 175.55 171.78 2klx s HIS 61 N 2.25 3.04 0.00 4.97 -3.43 -1.26 -1.02 115.29 119.84 2klx s HIS 61 Ca 0.04 1.51 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 2klx s HIS 61 Cb -0.15 -3.51 0.00 0.00 -1.43 0.00 0.00 32.58 27.50 2klx s HIS 61 CO -0.09 -1.55 0.00 0.28 -2.00 0.00 0.00 174.74 171.38 2klx n VAL 62 N 0.31 0.00 0.00 -5.38 0.31 0.11 -4.93 118.33 108.75 2klx n VAL 62 Ca 0.03 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2klx n VAL 62 Cb 0.45 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 2.50 0.17 2.91 2.92 0.00 -1.26 -4.86 105.19 107.57 2klx n GLY 63 Ca 0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.38 0.11 -0.02 0.00 -1.26 -2.09 105.19 98.56 2klx n GLY 64 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.98 0.00 -0.04 0.00 5.19 -1.93 -2.24 116.42 116.42 2klx h ASP 66 Ca -0.02 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.43 2klx h ASP 66 Cb 0.41 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 2klx h ASP 66 CO 0.03 0.00 -0.32 0.44 -3.12 0.00 0.00 179.24 176.27 2klx h ASP 67 N 0.00 -0.96 -0.91 6.45 3.32 -1.91 0.21 116.42 122.62 2klx h ASP 67 Ca 0.14 0.13 0.14 0.00 0.02 0.00 0.00 57.03 57.46 2klx h ASP 67 Cb 0.77 0.39 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 2klx h ASP 67 CO -0.00 -0.37 0.58 0.17 -1.72 0.00 0.00 179.24 177.90 2klx h LEU 68 N -0.44 0.69 0.16 1.55 8.10 -1.54 0.65 115.31 124.48 2klx h LEU 68 Ca 0.07 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.10 2klx h LEU 68 Cb 0.55 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 2klx h LEU 68 CO -0.29 0.34 -0.08 1.88 -4.11 0.00 0.00 178.44 176.18 2klx h TYR 69 N 0.72 -0.20 0.01 0.17 -1.99 -1.27 -1.08 116.97 113.33 2klx h TYR 69 Ca 0.46 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.21 2klx h TYR 69 Cb 0.71 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.48 2klx h TYR 69 CO -0.00 0.19 -0.17 0.00 -0.00 0.00 0.00 178.16 178.18 2klx h ALA 70 N 0.05 -0.21 -0.39 3.88 0.00 -0.05 -0.84 119.26 121.70 2klx h ALA 70 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2klx h ALA 70 Cb 0.48 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2klx h ALA 70 CO 0.04 -0.66 0.21 -0.07 0.00 0.00 0.00 179.25 178.76 2klx h LEU 71 N -0.28 0.31 -1.05 0.00 3.38 -0.96 0.28 115.31 116.99 2klx h LEU 71 Ca 0.05 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2klx h LEU 71 Cb 0.34 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2klx h LEU 71 CO -0.15 0.23 0.63 -0.08 0.09 0.00 0.00 178.44 179.16 2klx h GLU 72 N 0.42 1.03 0.00 1.13 4.22 -0.84 0.39 114.58 120.93 2klx h GLU 72 Ca 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 2klx h GLU 72 Cb 0.05 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2klx h GLU 72 CO -0.10 0.68 -0.13 -0.97 -2.18 0.00 0.00 179.01 176.31 2klx h ASN 73 N 1.06 0.00 1.74 1.04 -0.73 -0.49 -2.98 115.58 115.23 2klx h ASN 73 Ca 0.45 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.57 2klx h ASN 73 Cb 0.33 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 2klx h ASN 73 CO -0.21 0.03 -0.24 0.11 -0.37 0.00 0.00 177.43 176.76 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.15 -3.47 116.57 126.48 2klx h LYS 74 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2klx h LYS 74 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 2klx h LYS 74 CO 0.00 0.24 0.00 0.41 -2.06 0.00 0.00 179.45 178.05 2klx n GLY 75 N 1.14 -0.10 0.00 3.86 0.00 -0.27 -4.99 105.19 104.83 2klx n GLY 75 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 2klx n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2klx n LYS 76 N 0.00 0.92 -0.23 1.61 3.00 0.12 -3.92 118.16 119.67 2klx n LYS 76 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2klx n LYS 76 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 35.03 33.67 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2klx h LEU 77 N 0.00 -0.13 -0.76 3.14 5.85 -1.65 0.27 115.31 122.04 2klx h LEU 77 Ca 0.00 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.99 2klx h LEU 77 Cb 0.02 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2klx h LEU 77 CO 0.00 -0.07 0.35 0.44 -0.34 0.00 0.00 178.44 178.82 2klx h ASP 78 N 0.20 0.42 0.11 1.25 3.32 -1.89 0.37 116.42 120.20 2klx h ASP 78 Ca 0.37 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 2klx h ASP 78 Cb 0.62 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2klx h ASP 78 CO -0.52 0.20 -0.05 -1.28 -1.72 0.00 0.00 179.24 175.87 2klx h SER 79 N 0.56 -0.12 -0.13 6.45 0.87 -1.19 -1.29 113.55 118.70 2klx h SER 79 Ca 0.40 -0.44 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2klx h SER 79 Cb 0.51 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 2klx h SER 79 CO -0.33 0.45 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.13 2klx h LEU 80 N -0.77 -0.66 0.16 2.23 -0.00 -0.25 0.28 115.31 116.29 2klx h LEU 80 Ca -0.01 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2klx h LEU 80 Cb 0.56 0.30 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 2klx h LEU 80 CO 0.02 -0.27 -0.08 -0.07 -0.00 0.00 0.00 178.44 178.05 2klx h LEU 81 N -0.27 -0.18 -2.68 1.67 3.38 -0.37 0.13 115.31 116.99 2klx h LEU 81 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2klx h LEU 81 Cb 0.42 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2klx h LEU 81 CO -0.29 -0.08 0.04 -0.61 0.09 0.00 0.00 178.44 177.60 2klx h GLN 82 N -0.27 0.00 0.00 1.13 4.15 -0.91 0.75 115.11 119.96 2klx h GLN 82 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2klx h GLN 82 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2klx h GLN 82 CO 0.04 0.00 -0.25 -0.44 -1.93 0.00 0.00 178.83 176.25 2klx h ASP 83 N 0.00 0.00 0.48 -0.69 3.32 0.32 -3.34 116.42 116.51 2klx h ASP 83 Ca 0.01 -0.67 -0.02 0.00 0.02 0.00 0.00 57.03 56.38 2klx h ASP 83 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2klx h ASP 83 CO -0.00 0.98 -0.08 -0.37 -1.72 0.00 0.00 179.24 178.05 2klx h VAL 84 N -1.00 0.33 -0.00 -1.35 -1.51 -0.60 -0.09 116.25 112.03 2klx h VAL 84 Ca -0.06 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2klx h VAL 84 Cb 0.84 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2klx h VAL 84 CO -0.04 0.08 0.00 1.57 -1.23 0.00 0.00 177.57 177.95