#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 -0.99 0.16 1.61 0.04 -1.26 -5.09 135.00 129.47 2klx s PRO -2 Ca 0.00 0.01 -0.21 0.00 0.04 0.00 0.00 61.00 60.85 2klx s PRO -2 Cb 0.00 -1.62 0.05 0.00 0.04 0.00 0.00 34.50 32.98 2klx s PRO -2 CO 0.00 -3.58 0.55 0.20 0.04 0.00 0.00 177.00 174.21 2klx s GLY -1 N -3.83 -0.45 -0.16 0.56 0.00 -1.26 -5.15 107.32 97.03 2klx s GLY -1 Ca 0.70 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 45.63 2klx s GLY -1 CO 0.56 -0.01 0.04 -0.45 0.00 0.00 0.00 173.10 173.24 2klx s SER 0 N -2.78 2.48 -0.18 1.64 0.15 -1.26 -5.12 113.70 108.63 2klx s SER 0 Ca 0.03 -0.61 -0.30 0.00 0.70 0.00 0.00 55.95 55.76 2klx s SER 0 Cb -0.01 -0.47 0.14 0.00 -1.71 0.00 0.00 66.02 63.98 2klx s SER 0 CO -0.11 -0.29 1.10 0.00 1.20 0.00 0.00 173.24 175.14 2klx s MET 1 N 1.95 0.45 0.69 5.44 0.23 -1.26 -5.18 119.30 121.62 2klx s MET 1 Ca 0.01 0.04 0.02 0.00 -1.03 0.00 0.00 55.69 54.73 2klx s MET 1 Cb -0.16 0.21 0.12 0.00 -1.53 0.00 0.00 34.83 33.47 2klx s MET 1 CO -0.08 -0.16 0.95 0.15 -2.03 0.00 0.00 175.02 173.86 2klx s LYS 2 N -1.43 1.81 -0.00 3.16 3.01 -0.38 -5.10 119.74 120.81 2klx s LYS 2 Ca 0.03 -1.26 -0.03 0.00 -1.01 0.00 0.00 55.97 53.69 2klx s LYS 2 Cb -0.01 -2.41 -0.00 0.00 -1.01 0.00 0.00 37.83 34.40 2klx s LYS 2 CO -0.02 -1.32 0.06 -1.83 0.51 0.00 0.00 175.35 172.75 2klx s GLU 3 N -5.03 0.30 -0.12 1.68 -1.05 -1.22 -4.50 118.70 108.77 2klx s GLU 3 Ca 0.65 -0.30 -0.05 0.00 -0.15 0.00 0.00 54.97 55.12 2klx s GLU 3 Cb -0.05 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 2klx s GLU 3 CO 0.43 -0.06 0.05 -1.50 0.95 0.00 0.00 175.26 175.13 2klx s ILE 4 N -0.95 4.71 -0.08 1.83 -1.16 -1.26 -0.69 121.20 123.60 2klx s ILE 4 Ca -0.10 -0.09 0.00 0.00 -0.51 0.00 0.00 60.65 59.95 2klx s ILE 4 Cb -0.06 -3.04 0.02 0.00 0.61 0.00 0.00 42.46 39.99 2klx s ILE 4 CO 0.00 0.57 -0.06 -0.63 -2.81 0.00 0.00 174.94 172.01 2klx s ILE 5 N -0.58 0.83 -0.24 2.00 1.01 0.01 -1.38 121.20 122.84 2klx s ILE 5 Ca 0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2klx s ILE 5 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2klx s ILE 5 CO 0.02 0.32 0.11 -1.48 0.00 0.00 0.00 174.94 173.91 2klx s LEU 6 N 1.42 3.73 -0.34 2.97 0.05 -0.07 0.46 118.68 126.90 2klx s LEU 6 Ca -0.02 -0.06 -0.13 0.00 0.05 0.00 0.00 54.13 53.98 2klx s LEU 6 Cb -0.13 -2.00 -0.01 0.00 -2.05 0.00 0.00 46.19 42.00 2klx s LEU 6 CO -0.04 0.02 0.23 -0.31 -0.55 0.00 0.00 176.35 175.71 2klx s TYR 7 N 1.31 3.22 -0.08 3.48 1.51 -0.16 -0.49 117.35 126.15 2klx s TYR 7 Ca 0.06 -0.29 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 2klx s TYR 7 Cb -0.15 -2.47 0.09 0.00 -0.11 0.00 0.00 41.96 39.32 2klx s TYR 7 CO 0.05 -0.39 1.18 0.25 -1.11 0.00 0.00 175.55 175.53 2klx n THR 8 N 5.09 0.00 -2.50 -0.71 -2.24 -0.66 -2.67 114.28 110.60 2klx n THR 8 Ca -0.13 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 2klx n THR 8 Cb 0.49 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 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 3.32 0.00 -0.78 3.03 -1.26 -1.70 118.95 119.56 2klx s ARG 9 Ca 0.28 0.16 0.15 0.00 2.03 0.00 0.00 55.73 58.35 2klx s ARG 9 Cb -0.00 -2.32 0.70 0.00 -1.03 0.00 0.00 34.95 32.30 2klx s ARG 9 CO -0.02 -0.40 1.42 -0.35 -1.13 0.00 0.00 175.30 174.82 2klx n PRO 10 N -2.41 0.14 -1.71 3.89 -0.04 -1.26 -3.33 135.00 130.28 2klx n PRO 10 Ca 0.02 0.18 -0.37 0.00 -0.04 0.00 0.00 63.50 63.30 2klx n PRO 10 Cb 0.56 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.36 7.46 -4.19 3.54 2.85 -1.26 -4.86 115.26 117.44 2klx n ASN 11 Ca 0.06 -3.75 -0.40 0.00 -0.11 0.00 0.00 54.58 50.37 2klx n ASN 11 Cb 0.13 -1.06 -0.07 0.00 1.24 0.00 0.00 39.78 40.02 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 7.34 -0.03 0.00 0.00 0.13 -1.94 -3.16 132.00 134.35 2klx h PRO 13 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2klx h PRO 13 Cb 0.99 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2klx h PRO 13 CO 0.73 0.45 -0.13 0.10 -0.23 0.00 0.00 178.00 178.92 2klx h TYR 14 N -0.51 0.00 -0.17 1.56 -0.00 -2.03 -2.18 116.97 113.63 2klx h TYR 14 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 2klx h TYR 14 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.21 2klx h TYR 14 CO 0.09 0.13 0.36 0.00 -0.00 0.00 0.00 178.16 178.74 2klx h LYS 16 N 0.00 0.18 -0.14 0.00 2.10 -1.53 0.21 116.57 117.39 2klx h LYS 16 Ca 0.08 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2klx h LYS 16 Cb 0.79 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2klx h LYS 16 CO -0.00 0.12 0.08 0.00 -2.00 0.00 0.00 179.45 177.65 2klx h ARG 17 N 0.19 0.19 0.33 0.07 3.08 -1.51 0.26 114.38 116.98 2klx h ARG 17 Ca 0.64 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.66 2klx h ARG 17 Cb 2.07 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.08 2klx h ARG 17 CO -0.21 0.18 -0.16 0.00 -1.07 0.00 0.00 179.97 178.72 2klx h ALA 18 N 0.99 -0.44 -0.20 0.04 0.00 -0.82 -1.59 119.26 117.25 2klx h ALA 18 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2klx h ALA 18 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2klx h ALA 18 CO -0.01 -0.63 0.14 0.07 0.00 0.00 0.00 179.25 178.82 2klx h ARG 19 N -0.67 0.15 -0.08 0.00 0.11 -1.32 -1.88 114.38 110.70 2klx h ARG 19 Ca -0.04 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2klx h ARG 19 Cb 0.47 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 2klx h ARG 19 CO 0.07 0.10 -0.05 0.22 0.10 0.00 0.00 179.97 180.42 2klx h ASP 20 N 0.16 0.17 -0.48 0.08 1.82 -0.29 -1.36 116.42 116.51 2klx h ASP 20 Ca 0.08 -0.44 0.01 0.00 -0.39 0.00 0.00 57.03 56.30 2klx h ASP 20 Cb 0.14 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 2klx h ASP 20 CO -0.01 0.57 0.30 0.25 -1.61 0.00 0.00 179.24 178.74 2klx h LEU 21 N -0.23 0.51 0.72 2.28 6.46 -0.75 0.31 115.31 124.61 2klx h LEU 21 Ca 0.02 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2klx h LEU 21 Cb 0.51 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.34 2klx h LEU 21 CO 0.01 0.36 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.78 2klx h LEU 22 N 0.61 -0.82 -1.15 2.25 4.07 -1.38 0.02 115.31 118.92 2klx h LEU 22 Ca 0.19 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.23 2klx h LEU 22 Cb -0.02 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 2klx h LEU 22 CO -0.07 -0.51 0.59 -0.78 -1.08 0.00 0.00 178.44 176.60 2klx h ASP 23 N -1.10 0.88 -0.23 -0.43 3.58 -1.18 -0.80 116.42 117.14 2klx h ASP 23 Ca -0.10 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 2klx h ASP 23 Cb 0.76 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2klx h ASP 23 CO 0.16 0.54 -0.13 0.50 -2.88 0.00 0.00 179.24 177.43 2klx h LYS 24 N 0.99 0.64 -0.05 0.28 1.63 -0.26 -2.72 116.57 117.07 2klx h LYS 24 Ca 0.41 -0.21 -0.13 0.00 -0.85 0.00 0.00 60.65 59.87 2klx h LYS 24 Cb 0.29 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2klx h LYS 24 CO -0.17 0.76 -0.57 0.87 -3.45 0.00 0.00 179.45 176.90 2klx h LYS 25 N 0.59 0.16 0.00 1.90 6.56 0.35 -3.48 116.57 122.65 2klx h LYS 25 Ca 0.10 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2klx h LYS 25 Cb 0.57 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2klx h LYS 25 CO 0.04 0.69 0.00 0.41 -2.06 0.00 0.00 179.45 178.52 2klx n GLY 26 N 0.16 0.81 3.48 3.86 0.00 -0.48 -5.10 105.19 107.93 2klx n GLY 26 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.40 1.46 -0.40 1.61 -7.23 -1.06 -5.03 120.40 108.34 2klx s VAL 27 Ca 0.00 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 2klx s VAL 27 Cb 0.00 -2.77 0.08 0.00 0.56 0.00 0.00 36.38 34.25 2klx s VAL 27 CO 0.00 -0.06 0.21 -0.54 -0.31 0.00 0.00 175.10 174.41 2klx s LYS 28 N -3.82 2.46 -0.00 4.82 -0.14 -1.26 -4.46 119.74 117.35 2klx s LYS 28 Ca 0.35 -1.50 -0.10 0.00 -1.36 0.00 0.00 55.97 53.35 2klx s LYS 28 Cb 0.08 -3.66 -0.05 0.00 -1.68 0.00 0.00 37.83 32.51 2klx s LYS 28 CO 0.15 -0.93 0.33 1.52 -0.76 0.00 0.00 175.35 175.66 2klx s TYR 29 N 1.35 3.64 -0.21 3.18 -0.85 -1.26 -4.09 117.35 119.10 2klx s TYR 29 Ca 0.03 0.77 -0.06 0.00 -0.52 0.00 0.00 57.07 57.29 2klx s TYR 29 Cb -0.22 -2.13 -0.03 0.00 0.38 0.00 0.00 41.96 39.96 2klx s TYR 29 CO 0.00 0.62 0.03 0.99 -1.52 0.00 0.00 175.55 175.68 2klx s THR 30 N -1.20 4.20 -0.40 -3.49 2.01 -0.48 -5.00 115.64 111.28 2klx s THR 30 Ca 0.25 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 2klx s THR 30 Cb -0.14 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.47 2klx s THR 30 CO 0.13 0.41 0.64 -0.62 -0.69 0.00 0.00 174.62 174.50 2klx s ASP 31 N 1.04 6.37 -0.31 3.53 -1.08 -1.26 -0.89 116.67 124.07 2klx s ASP 31 Ca 0.03 -0.12 -0.16 0.00 -0.52 0.00 0.00 52.55 51.78 2klx s ASP 31 Cb -0.14 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 2klx s ASP 31 CO 0.02 -0.70 0.43 -0.63 0.52 0.00 0.00 175.17 174.81 2klx s ILE 32 N 2.79 5.12 0.47 4.11 -1.09 0.36 -4.99 121.20 127.96 2klx s ILE 32 Ca 0.24 0.43 -0.24 0.00 -2.23 0.00 0.00 60.65 58.84 2klx s ILE 32 Cb -0.14 -3.81 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 2klx s ILE 32 CO 0.17 -0.01 1.40 -1.81 -1.23 0.00 0.00 174.94 173.47 2klx s ASP 33 N 1.68 5.76 0.61 3.58 1.01 -1.25 -1.65 116.67 126.41 2klx s ASP 33 Ca 0.16 2.86 0.28 0.00 0.71 0.00 0.00 52.55 56.57 2klx s ASP 33 Cb -0.16 -2.65 1.48 0.00 1.01 0.00 0.00 42.92 42.60 2klx s ASP 33 CO 0.11 -1.25 1.88 0.00 0.21 0.00 0.00 175.17 176.12 2klx h ALA 34 N 2.13 1.96 -1.29 5.23 0.00 -1.68 -3.38 119.26 122.23 2klx h ALA 34 Ca -0.51 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 53.67 2klx h ALA 34 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2klx h ALA 34 CO 0.60 -0.63 1.09 0.43 0.00 0.00 0.00 179.25 180.74 2klx n SER 35 N -3.46 2.20 0.29 0.00 7.64 -1.26 -4.75 113.62 114.29 2klx n SER 35 Ca 0.06 0.86 0.16 0.00 1.01 0.00 0.00 58.87 60.95 2klx n SER 35 Cb 0.61 -1.16 0.91 0.00 -1.01 0.00 0.00 64.21 63.55 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 5.92 0.36 -0.92 0.44 1.35 -1.94 0.24 112.91 118.37 2klx h THR 36 Ca -0.38 -0.24 0.25 0.00 -0.55 0.00 0.00 66.41 65.49 2klx h THR 36 Cb 1.33 1.17 -0.05 0.00 -1.73 0.00 0.00 68.15 68.87 2klx h THR 36 CO 0.99 0.04 0.64 0.77 -0.25 0.00 0.00 175.52 177.71 2klx h SER 37 N 0.00 0.15 0.00 5.36 4.64 -1.93 0.60 113.55 122.37 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 0.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2klx h SER 37 CO 0.01 0.05 -0.80 0.18 -0.87 0.00 0.00 176.83 175.39 2klx n LEU 38 N -4.36 0.00 -0.01 5.97 7.99 -0.93 -4.60 117.00 121.06 2klx n LEU 38 Ca 0.20 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 56.02 2klx n LEU 38 Cb 0.89 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 44.11 2klx n LEU 38 CO 0.36 0.00 0.28 -0.09 -1.51 0.00 0.00 177.39 176.43 2klx h ARG 39 N 0.00 0.53 -0.22 3.23 2.43 -0.40 -1.47 114.38 118.49 2klx h ARG 39 Ca 0.00 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2klx h ARG 39 Cb 0.49 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2klx h ARG 39 CO 0.00 1.13 0.10 0.37 -1.51 0.00 0.00 179.97 180.06 2klx h GLN 40 N 0.11 0.31 -0.11 0.20 4.15 -1.05 0.32 115.11 119.04 2klx h GLN 40 Ca -0.06 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2klx h GLN 40 Cb 1.30 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 2klx h GLN 40 CO 0.13 0.33 -0.01 1.05 -1.93 0.00 0.00 178.83 178.40 2klx h GLU 41 N 0.22 0.20 0.01 1.69 -0.00 -1.65 -1.07 114.58 113.98 2klx h GLU 41 Ca 0.07 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2klx h GLU 41 Cb 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.86 2klx h GLU 41 CO -0.01 0.46 -0.01 1.98 -0.00 0.00 0.00 179.01 181.43 2klx h MET 42 N -0.09 -0.02 -0.16 1.06 4.05 -1.21 -1.83 114.93 116.73 2klx h MET 42 Ca 0.03 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 2klx h MET 42 Cb 0.37 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 2klx h MET 42 CO 0.01 0.05 -0.01 0.28 0.23 0.00 0.00 176.91 177.47 2klx h VAL 43 N -0.09 0.88 -0.52 -5.77 2.07 -0.37 0.42 116.25 112.87 2klx h VAL 43 Ca -0.00 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2klx h VAL 43 Cb 0.08 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 2klx h VAL 43 CO 0.00 0.01 0.14 1.56 0.02 0.00 0.00 177.57 179.30 2klx h GLN 44 N 0.04 0.28 0.00 1.57 4.20 -1.09 0.15 115.11 120.27 2klx h GLN 44 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2klx h GLN 44 Cb 0.10 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2klx h GLN 44 CO -0.14 0.19 0.00 0.54 -0.67 0.00 0.00 178.83 178.75 2klx n ARG 45 N -5.07 0.02 0.10 1.46 1.74 -0.70 0.75 116.66 114.96 2klx n ARG 45 Ca 0.06 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 2klx n ARG 45 Cb 0.24 -1.53 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klx h ALA 46 N 2.90 -0.09 0.00 7.54 0.00 0.26 -3.42 119.26 126.45 2klx h ALA 46 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 2klx h ALA 46 Cb 0.49 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2klx h ALA 46 CO 0.00 0.61 -1.14 0.27 0.00 0.00 0.00 179.25 178.99 2klx n ASN 47 N -3.87 2.52 0.00 0.00 0.23 -0.44 -4.89 115.26 108.80 2klx n ASN 47 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2klx n ASN 47 Cb 0.99 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.63 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 3.19 0.43 3.46 4.83 0.00 0.23 -5.08 105.19 112.25 2klx n GLY 48 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 1.31 0.59 1.61 3.52 -0.97 -4.82 118.95 120.19 2klx s ARG 49 Ca 0.00 -0.56 -0.14 0.00 -0.13 0.00 0.00 55.73 54.91 2klx s ARG 49 Cb 0.00 0.58 -0.05 0.00 -1.56 0.00 0.00 34.95 33.92 2klx s ARG 49 CO 0.00 -0.57 1.02 0.54 -0.81 0.00 0.00 175.30 175.48 2klx s ASN 50 N -2.78 6.18 0.00 -2.12 4.22 -1.26 -3.78 114.94 115.40 2klx s ASN 50 Ca 0.02 1.56 -0.04 0.00 -2.14 0.00 0.00 52.86 52.26 2klx s ASN 50 Cb -0.01 -2.50 0.01 0.00 1.28 0.00 0.00 41.25 40.03 2klx s ASN 50 CO -0.11 -0.90 0.19 1.07 -2.04 0.00 0.00 177.10 175.31 2klx n THR 51 N -2.29 0.00 -0.92 0.54 5.66 -1.26 -5.00 114.28 111.02 2klx n THR 51 Ca 0.07 -0.03 -0.32 0.00 -3.05 0.00 0.00 64.05 60.71 2klx n THR 51 Cb 0.54 0.09 0.15 0.00 -1.55 0.00 0.00 70.33 69.55 2klx n THR 51 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2klx n PHE 52 N -0.13 1.10 -1.84 1.09 1.16 -1.26 -4.97 117.46 112.60 2klx n PHE 52 Ca 0.01 0.40 -0.33 0.00 -1.87 0.00 0.00 57.45 55.66 2klx n PHE 52 Cb 0.09 -2.06 0.04 0.00 -1.61 0.00 0.00 39.48 35.94 2klx n PHE 52 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2klx s PRO 53 N -4.34 2.89 0.01 3.97 0.04 -1.26 -5.04 135.00 131.26 2klx s PRO 53 Ca 0.71 1.43 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 2klx s PRO 53 Cb -0.26 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2klx s PRO 53 CO 0.54 -1.19 1.11 0.00 0.04 0.00 0.00 177.00 177.51 2klx n GLN 54 N -2.24 0.22 -3.26 4.56 -0.00 -1.09 -4.96 117.38 110.62 2klx n GLN 54 Ca 0.11 -0.77 -0.42 0.00 -0.00 0.00 0.00 57.00 55.91 2klx n GLN 54 Cb 0.52 1.23 -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 -2.04 5.02 0.01 -0.39 1.09 -1.26 -0.99 121.20 122.64 2klx s ILE 55 Ca 0.26 0.08 -0.13 0.00 -1.10 0.00 0.00 60.65 59.76 2klx s ILE 55 Cb -0.01 -4.01 -0.06 0.00 -1.06 0.00 0.00 42.46 37.32 2klx s ILE 55 CO 0.00 -0.33 0.38 0.12 -0.10 0.00 0.00 174.94 175.01 2klx s PHE 56 N 2.36 3.68 -0.11 3.97 2.19 0.17 -0.37 117.98 129.88 2klx s PHE 56 Ca 0.17 0.90 -0.03 0.00 0.33 0.00 0.00 56.93 58.29 2klx s PHE 56 Cb -0.16 -2.22 0.04 0.00 -1.31 0.00 0.00 43.02 39.37 2klx s PHE 56 CO 0.14 0.62 0.07 0.96 1.83 0.00 0.00 175.22 178.85 2klx s ILE 57 N -1.15 -0.04 0.00 3.12 -5.25 0.81 -0.81 121.20 117.87 2klx s ILE 57 Ca 0.25 0.11 0.00 0.00 -0.99 0.00 0.00 60.65 60.02 2klx s ILE 57 Cb -0.16 -0.40 0.00 0.00 2.95 0.00 0.00 42.46 44.86 2klx s ILE 57 CO 0.14 -0.03 0.00 0.61 -1.79 0.00 0.00 174.94 173.86 2klx n GLY 58 N 5.27 0.28 1.00 6.27 0.00 0.14 -0.86 105.19 117.29 2klx n GLY 58 Ca -0.05 0.66 0.05 0.00 0.00 0.00 0.00 46.02 46.68 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 6.83 1.39 -3.90 1.61 8.00 -1.26 -4.84 116.55 124.39 2klx n ASP 59 Ca 0.00 -3.05 -0.11 0.00 0.71 0.00 0.00 54.79 52.34 2klx n ASP 59 Cb 0.00 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.79 0.07 -0.40 1.24 5.04 -0.03 -5.04 117.35 116.43 2klx s TYR 60 Ca 0.36 -0.15 -0.08 0.00 -2.44 0.00 0.00 57.07 54.76 2klx s TYR 60 Cb 0.38 -0.07 0.07 0.00 0.35 0.00 0.00 41.96 42.69 2klx s TYR 60 CO -0.11 -0.19 0.22 -3.38 -1.34 0.00 0.00 175.55 170.75 2klx s HIS 61 N -1.01 3.32 0.00 4.97 -3.43 -1.26 -0.13 115.29 117.75 2klx s HIS 61 Ca -0.11 -1.50 0.00 0.00 -0.80 0.00 0.00 55.06 52.65 2klx s HIS 61 Cb -0.06 -2.79 0.00 0.00 -1.43 0.00 0.00 32.58 28.30 2klx s HIS 61 CO 0.00 -0.81 0.76 0.28 -2.00 0.00 0.00 174.74 172.97 2klx n VAL 62 N 4.89 0.00 0.00 -5.38 0.31 0.50 -4.97 118.33 113.67 2klx n VAL 62 Ca -0.10 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.48 2klx n VAL 62 Cb 0.43 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 -0.83 3.30 3.32 2.92 0.00 -1.25 -4.94 105.19 107.71 2klx n GLY 63 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 1.34 0.02 -0.02 0.00 -1.26 -4.26 107.32 103.14 2klx s GLY 64 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 2klx s GLY 64 CO 0.00 -1.27 1.13 0.00 0.00 0.00 0.00 173.10 172.95 2klx h ASP 66 N -0.27 0.00 -0.88 0.00 3.04 -1.97 -1.00 116.42 115.34 2klx h ASP 66 Ca -0.02 0.00 0.14 0.00 -3.24 0.00 0.00 57.03 53.91 2klx h ASP 66 Cb 0.22 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 38.42 2klx h ASP 66 CO 0.02 0.00 0.48 -0.78 -2.04 0.00 0.00 179.24 176.92 2klx h ASP 67 N 0.00 0.61 -0.36 4.15 3.58 -1.86 0.11 116.42 122.66 2klx h ASP 67 Ca 0.17 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 2klx h ASP 67 Cb 0.89 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 2klx h ASP 67 CO -0.00 0.27 -0.04 0.17 -2.88 0.00 0.00 179.24 176.76 2klx h LEU 68 N 0.69 0.73 0.15 2.28 8.10 -1.12 -1.04 115.31 125.11 2klx h LEU 68 Ca 0.47 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 58.27 2klx h LEU 68 Cb 0.64 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 2klx h LEU 68 CO -0.34 0.82 -0.07 1.88 -4.11 0.00 0.00 178.44 176.62 2klx h TYR 69 N 0.70 -0.19 0.06 0.17 -1.99 -1.06 -0.70 116.97 113.96 2klx h TYR 69 Ca 0.13 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.87 2klx h TYR 69 Cb 0.49 0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 2klx h TYR 69 CO 0.02 0.22 -0.15 0.00 -0.00 0.00 0.00 178.16 178.26 2klx h ALA 70 N 0.03 -0.22 -0.36 3.88 0.00 -0.86 -0.79 119.26 120.93 2klx h ALA 70 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2klx h ALA 70 Cb 0.50 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2klx h ALA 70 CO 0.03 -0.66 0.22 -0.07 0.00 0.00 0.00 179.25 178.78 2klx h LEU 71 N -0.28 0.37 -0.80 0.00 3.38 -1.27 0.34 115.31 117.06 2klx h LEU 71 Ca 0.03 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 2klx h LEU 71 Cb 0.31 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2klx h LEU 71 CO -0.10 0.27 0.46 -0.08 0.09 0.00 0.00 178.44 179.08 2klx h GLU 72 N 0.46 0.76 0.00 1.13 4.22 -0.84 0.42 114.58 120.72 2klx h GLU 72 Ca 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.53 2klx h GLU 72 Cb -0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2klx h GLU 72 CO -0.05 0.50 -0.07 -0.97 -2.18 0.00 0.00 179.01 176.24 2klx h ASN 73 N 0.79 0.00 1.58 1.04 -1.24 -0.68 -2.80 115.58 114.26 2klx h ASN 73 Ca 0.38 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.32 2klx h ASN 73 Cb 0.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2klx h ASN 73 CO -0.23 0.01 -0.43 0.11 -1.29 0.00 0.00 177.43 175.60 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.17 -3.47 116.57 126.50 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 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 2klx h LYS 74 CO 0.00 0.21 0.00 0.41 -2.06 0.00 0.00 179.45 178.01 2klx n GLY 75 N 1.18 -0.02 0.14 3.86 0.00 -0.21 -4.99 105.19 105.16 2klx n GLY 75 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 1.18 -0.29 1.61 3.00 0.13 -4.02 118.16 119.77 2klx n LYS 76 Ca 0.00 -0.27 0.08 0.00 -0.00 0.00 0.00 58.31 58.12 2klx n LYS 76 Cb 0.00 -1.35 0.23 0.00 0.00 0.00 0.00 35.03 33.91 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 0.56 0.41 -0.66 3.14 6.46 -1.61 0.01 115.31 123.62 2klx h LEU 77 Ca 0.00 0.11 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 2klx h LEU 77 Cb 0.12 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 2klx h LEU 77 CO 0.00 0.14 0.26 0.44 -0.62 0.00 0.00 178.44 178.66 2klx h ASP 78 N 0.52 0.28 0.04 1.25 5.19 -1.88 0.24 116.42 122.05 2klx h ASP 78 Ca 0.47 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.96 2klx h ASP 78 Cb 0.73 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2klx h ASP 78 CO -0.41 0.15 -0.02 -1.28 -3.12 0.00 0.00 179.24 174.56 2klx h SER 79 N 0.45 -0.04 -0.09 6.45 0.87 -1.35 -0.70 113.55 119.13 2klx h SER 79 Ca 0.34 -0.40 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2klx h SER 79 Cb 0.42 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2klx h SER 79 CO -0.32 0.38 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.12 2klx h LEU 80 N -0.48 -0.52 -0.05 2.23 -0.00 -0.75 0.26 115.31 116.00 2klx h LEU 80 Ca -0.01 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2klx h LEU 80 Cb 0.44 0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 2klx h LEU 80 CO 0.01 -0.22 0.03 -0.07 -0.00 0.00 0.00 178.44 178.19 2klx h LEU 81 N -0.23 0.06 -2.43 1.67 4.07 -0.60 0.25 115.31 118.11 2klx h LEU 81 Ca 0.08 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2klx h LEU 81 Cb 0.35 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 2klx h LEU 81 CO -0.23 0.09 -0.02 -0.61 -1.08 0.00 0.00 178.44 176.58 2klx h GLN 82 N 0.03 0.00 0.00 1.13 4.15 -0.79 0.17 115.11 119.81 2klx h GLN 82 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2klx h GLN 82 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2klx h GLN 82 CO -0.00 0.02 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.34 2klx h ASP 83 N 0.00 0.00 -0.79 -0.69 3.32 0.31 -3.37 116.42 115.20 2klx h ASP 83 Ca -0.00 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.24 2klx h ASP 83 Cb 0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2klx h ASP 83 CO 0.00 0.40 0.54 -0.37 -1.72 0.00 0.00 179.24 178.10 2klx h VAL 84 N -0.65 0.69 0.00 -1.35 -1.51 -0.50 -3.23 116.25 109.69 2klx h VAL 84 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2klx h VAL 84 Cb 0.14 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 2klx h VAL 84 CO 0.00 0.04 0.00 1.57 -1.23 0.00 0.00 177.57 177.95