#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 4.39 -0.14 1.61 0.04 -1.26 -5.03 135.00 134.62 2klx s PRO -2 Ca 0.00 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2klx s PRO -2 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2klx s PRO -2 CO 0.00 -0.24 0.04 0.20 0.04 0.00 0.00 177.00 177.03 2klx s GLY -1 N 0.33 1.90 -0.38 0.56 0.00 -1.26 -5.08 107.32 103.39 2klx s GLY -1 Ca 0.56 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 44.47 2klx s GLY -1 CO 0.38 -0.24 0.17 -1.35 0.00 0.00 0.00 173.10 172.06 2klx s SER 0 N -0.26 5.31 -0.01 1.64 1.04 -1.26 -5.07 113.70 115.09 2klx s SER 0 Ca 0.07 -1.64 -0.00 0.00 0.48 0.00 0.00 55.95 54.86 2klx s SER 0 Cb -0.12 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 64.16 2klx s SER 0 CO 0.02 -0.47 0.02 -0.04 0.98 0.00 0.00 173.24 173.75 2klx s MET 1 N 1.27 -0.01 0.77 4.02 -1.94 -1.26 -5.15 119.30 117.00 2klx s MET 1 Ca 0.03 0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 54.07 2klx s MET 1 Cb -0.22 -0.11 0.14 0.00 2.01 0.00 0.00 34.83 36.65 2klx s MET 1 CO -0.01 -0.08 1.06 0.15 -0.01 0.00 0.00 175.02 176.13 2klx s LYS 2 N 0.51 1.48 0.01 2.03 3.01 -1.23 -5.09 119.74 120.46 2klx s LYS 2 Ca -0.04 -0.96 -0.00 0.00 -1.01 0.00 0.00 55.97 53.95 2klx s LYS 2 Cb -0.06 -2.23 -0.01 0.00 -1.01 0.00 0.00 37.83 34.52 2klx s LYS 2 CO -0.01 -1.64 -0.01 -1.83 0.51 0.00 0.00 175.35 172.37 2klx s GLU 3 N -5.29 0.21 -0.12 1.68 1.03 -1.20 -4.48 118.70 110.53 2klx s GLU 3 Ca 0.68 -0.38 -0.04 0.00 0.03 0.00 0.00 54.97 55.25 2klx s GLU 3 Cb -0.05 0.08 -0.04 0.00 -0.80 0.00 0.00 34.13 33.32 2klx s GLU 3 CO 0.46 -0.04 0.05 -1.50 -1.33 0.00 0.00 175.26 172.90 2klx s ILE 4 N -0.93 4.69 0.07 1.83 -1.16 -1.26 -0.02 121.20 124.42 2klx s ILE 4 Ca -0.10 -0.09 0.04 0.00 -0.51 0.00 0.00 60.65 59.99 2klx s ILE 4 Cb -0.06 -3.03 -0.03 0.00 0.61 0.00 0.00 42.46 39.95 2klx s ILE 4 CO -0.01 0.58 -0.12 -0.63 -2.81 0.00 0.00 174.94 171.95 2klx s ILE 5 N -0.62 0.96 -0.15 2.00 1.01 -0.37 -1.34 121.20 122.68 2klx s ILE 5 Ca 0.11 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 2klx s ILE 5 Cb -0.12 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.39 2klx s ILE 5 CO 0.02 -0.31 -0.03 -1.48 0.00 0.00 0.00 174.94 173.14 2klx s LEU 6 N -1.80 1.37 -0.47 2.97 2.34 -0.48 0.10 118.68 122.70 2klx s LEU 6 Ca -0.03 -0.57 -0.19 0.00 0.06 0.00 0.00 54.13 53.40 2klx s LEU 6 Cb -0.09 -0.79 0.04 0.00 -0.56 0.00 0.00 46.19 44.79 2klx s LEU 6 CO 0.02 -0.20 0.58 -0.31 -1.06 0.00 0.00 176.35 175.38 2klx s TYR 7 N 1.72 3.08 -0.08 3.48 2.02 -0.07 -0.57 117.35 126.94 2klx s TYR 7 Ca 0.01 -0.38 -0.28 0.00 -0.37 0.00 0.00 57.07 56.05 2klx s TYR 7 Cb -0.15 -3.33 0.09 0.00 -0.40 0.00 0.00 41.96 38.17 2klx s TYR 7 CO -0.07 -0.91 1.24 0.25 -1.57 0.00 0.00 175.55 174.49 2klx n THR 8 N 5.63 0.00 -2.77 -0.71 -2.24 -0.70 -1.57 114.28 111.91 2klx n THR 8 Ca -0.06 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 2klx n THR 8 Cb 0.46 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 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 3.60 0.00 -0.78 1.70 -1.26 -0.78 118.95 119.43 2klx s ARG 9 Ca 0.30 0.23 0.14 0.00 -0.47 0.00 0.00 55.73 55.93 2klx s ARG 9 Cb -0.00 -2.41 0.66 0.00 -0.57 0.00 0.00 34.95 32.63 2klx s ARG 9 CO -0.02 -0.12 1.44 -0.35 -1.08 0.00 0.00 175.30 175.17 2klx n PRO 10 N -1.90 0.08 -2.43 3.89 -0.04 -1.26 -3.51 135.00 129.83 2klx n PRO 10 Ca 0.01 0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 63.30 2klx n PRO 10 Cb 0.55 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.41 6.91 -4.09 3.54 2.85 -1.26 -4.92 115.26 116.87 2klx n ASN 11 Ca 0.05 -3.74 -0.35 0.00 -0.11 0.00 0.00 54.58 50.43 2klx n ASN 11 Cb 0.15 -1.02 -0.12 0.00 1.24 0.00 0.00 39.78 40.03 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2klx n PRO 13 N 4.45 0.13 -0.12 0.00 -0.04 -1.26 -2.98 135.00 135.18 2klx n PRO 13 Ca -0.00 0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.47 2klx n PRO 13 Cb 0.41 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 2klx n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2klx n TYR 14 N -1.37 0.00 0.26 0.54 4.01 -1.26 -4.36 117.16 114.98 2klx n TYR 14 Ca 0.06 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.98 2klx n TYR 14 Cb 0.14 -0.91 0.89 0.00 -0.31 0.00 0.00 39.34 39.14 2klx n TYR 14 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2klx h LYS 16 N 0.00 0.15 -0.50 0.00 1.57 -1.75 0.34 116.57 116.37 2klx h LYS 16 Ca 0.06 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2klx h LYS 16 Cb 0.54 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2klx h LYS 16 CO -0.00 0.10 -0.03 0.00 -0.57 0.00 0.00 179.45 178.94 2klx h ARG 17 N 0.15 0.91 0.29 3.15 -0.00 -1.58 -0.24 114.38 117.07 2klx h ARG 17 Ca 0.56 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.98 59.72 2klx h ARG 17 Cb 1.90 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.80 2klx h ARG 17 CO -0.12 0.96 -0.14 0.00 0.00 0.00 0.00 179.97 180.66 2klx h ALA 18 N 0.92 -0.40 -0.30 0.04 0.00 -0.55 -1.16 119.26 117.81 2klx h ALA 18 Ca 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2klx h ALA 18 Cb 0.57 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2klx h ALA 18 CO 0.03 -0.52 0.20 0.07 0.00 0.00 0.00 179.25 179.04 2klx h ARG 19 N -0.80 0.31 -0.21 0.00 -0.00 -1.35 -1.67 114.38 110.66 2klx h ARG 19 Ca -0.04 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.98 59.78 2klx h ARG 19 Cb 0.51 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 2klx h ARG 19 CO 0.07 0.21 -0.43 0.22 -0.00 0.00 0.00 179.97 180.03 2klx h ASP 20 N 0.32 0.74 -0.06 0.08 3.58 -0.99 -1.07 116.42 119.03 2klx h ASP 20 Ca 0.12 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 2klx h ASP 20 Cb 0.09 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2klx h ASP 20 CO -0.03 1.16 0.03 0.25 -2.88 0.00 0.00 179.24 177.77 2klx h LEU 21 N 0.36 0.07 0.50 2.28 6.46 -0.51 0.18 115.31 124.66 2klx h LEU 21 Ca 0.01 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2klx h LEU 21 Cb 1.04 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2klx h LEU 21 CO 0.10 0.15 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.75 2klx h LEU 22 N -0.01 -0.57 -1.31 2.25 3.38 -1.39 0.15 115.31 117.81 2klx h LEU 22 Ca 0.02 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.11 2klx h LEU 22 Cb 0.09 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 2klx h LEU 22 CO -0.00 -0.25 0.60 -0.78 0.09 0.00 0.00 178.44 178.10 2klx h ASP 23 N -0.91 0.58 1.05 -0.43 1.82 -1.21 0.25 116.42 117.56 2klx h ASP 23 Ca -0.07 0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.47 2klx h ASP 23 Cb 0.60 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2klx h ASP 23 CO 0.11 0.23 -0.74 0.11 -1.61 0.00 0.00 179.24 177.35 2klx h LYS 24 N 0.58 0.00 -0.04 0.28 1.79 -0.81 -3.20 116.57 115.16 2klx h LYS 24 Ca 0.50 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.84 2klx h LYS 24 Cb 1.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 2klx h LYS 24 CO -0.24 0.74 -0.55 0.87 -1.08 0.00 0.00 179.45 179.18 2klx h LYS 25 N 0.00 0.13 0.00 3.15 6.56 0.24 -3.47 116.57 123.17 2klx h LYS 25 Ca -0.01 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2klx h LYS 25 Cb 1.46 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 2klx h LYS 25 CO 0.10 0.65 0.00 0.41 -2.06 0.00 0.00 179.45 178.55 2klx n GLY 26 N 0.11 0.89 3.40 3.86 0.00 -0.38 -5.08 105.19 108.00 2klx n GLY 26 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.53 0.63 -0.35 1.61 -7.23 -1.14 -5.00 120.40 107.39 2klx s VAL 27 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2klx s VAL 27 Cb 0.00 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.47 2klx s VAL 27 CO 0.00 0.00 0.09 -0.54 -0.31 0.00 0.00 175.10 174.34 2klx s LYS 28 N -3.84 2.08 0.11 4.82 -0.14 -1.26 -4.46 119.74 117.04 2klx s LYS 28 Ca 0.33 -1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 53.22 2klx s LYS 28 Cb 0.06 -3.34 -0.06 0.00 -1.68 0.00 0.00 37.83 32.81 2klx s LYS 28 CO 0.16 -0.86 0.48 1.52 -0.76 0.00 0.00 175.35 175.89 2klx s TYR 29 N 1.14 3.61 -0.35 3.18 -0.85 -1.26 -4.43 117.35 118.39 2klx s TYR 29 Ca 0.03 0.94 -0.12 0.00 -0.52 0.00 0.00 57.07 57.40 2klx s TYR 29 Cb -0.21 -2.28 0.00 0.00 0.38 0.00 0.00 41.96 39.86 2klx s TYR 29 CO -0.04 0.49 0.21 0.99 -1.52 0.00 0.00 175.55 175.68 2klx s THR 30 N -1.40 4.89 -0.39 -3.49 2.01 -0.45 -5.01 115.64 111.80 2klx s THR 30 Ca 0.35 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 2klx s THR 30 Cb -0.15 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.79 2klx s THR 30 CO 0.18 -0.08 0.92 -0.62 -0.69 0.00 0.00 174.62 174.33 2klx s ASP 31 N 1.64 6.63 -0.27 3.53 2.15 -1.26 -1.39 116.67 127.70 2klx s ASP 31 Ca 0.04 0.46 -0.14 0.00 0.43 0.00 0.00 52.55 53.34 2klx s ASP 31 Cb -0.18 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2klx s ASP 31 CO 0.08 -0.89 0.35 -0.63 -0.17 0.00 0.00 175.17 173.91 2klx s ILE 32 N 3.52 5.20 0.40 4.11 -1.09 0.27 -4.97 121.20 128.63 2klx s ILE 32 Ca 0.37 0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 59.07 2klx s ILE 32 Cb -0.12 -3.68 -0.11 0.00 -1.58 0.00 0.00 42.46 36.98 2klx s ILE 32 CO 0.20 0.18 0.93 0.47 -1.23 0.00 0.00 174.94 175.49 2klx n ASP 33 N 5.24 0.91 0.25 3.58 9.92 -1.25 -1.72 116.55 133.47 2klx n ASP 33 Ca -0.09 1.03 0.17 0.00 -0.53 0.00 0.00 54.79 55.37 2klx n ASP 33 Cb 0.51 -1.30 0.90 0.00 -0.64 0.00 0.00 41.12 40.59 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2klx h ALA 34 N 1.46 1.00 -0.92 2.24 0.00 -1.30 -3.41 119.26 118.34 2klx h ALA 34 Ca -0.43 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.79 2klx h ALA 34 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2klx h ALA 34 CO 0.56 0.00 1.39 0.43 0.00 0.00 0.00 179.25 181.64 2klx n SER 35 N -2.70 1.91 0.27 0.00 7.64 -1.26 -4.78 113.62 114.69 2klx n SER 35 Ca -0.02 0.47 0.13 0.00 1.01 0.00 0.00 58.87 60.46 2klx n SER 35 Cb 0.07 -1.20 0.75 0.00 -1.01 0.00 0.00 64.21 62.82 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 7.04 0.52 -1.07 0.44 1.35 -1.94 0.31 112.91 119.56 2klx h THR 36 Ca -0.25 -0.49 0.30 0.00 -0.55 0.00 0.00 66.41 65.42 2klx h THR 36 Cb 1.34 1.32 -0.06 0.00 -1.73 0.00 0.00 68.15 69.02 2klx h THR 36 CO 1.03 0.10 0.74 0.28 -0.25 0.00 0.00 175.52 177.43 2klx h SER 37 N 0.00 0.13 0.00 5.36 0.02 -1.96 -1.33 113.55 115.78 2klx h SER 37 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2klx h SER 37 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2klx h SER 37 CO 0.01 0.03 -0.73 -0.11 -1.14 0.00 0.00 176.83 174.89 2klx n LEU 38 N -4.33 1.11 -0.16 5.07 7.94 -1.02 -4.66 117.00 120.96 2klx n LEU 38 Ca 0.24 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.15 2klx n LEU 38 Cb 1.06 0.00 0.30 0.00 0.53 0.00 0.00 43.42 45.31 2klx n LEU 38 CO 0.36 0.19 1.22 -0.09 -1.11 0.00 0.00 177.39 177.95 2klx h ARG 39 N 0.00 0.86 -0.41 1.96 2.43 -0.36 -0.51 114.38 118.36 2klx h ARG 39 Ca 0.00 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2klx h ARG 39 Cb 0.73 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2klx h ARG 39 CO 0.00 0.57 -0.19 0.37 -1.51 0.00 0.00 179.97 179.21 2klx h GLN 40 N 0.89 0.78 -0.13 0.20 4.15 -1.42 0.21 115.11 119.79 2klx h GLN 40 Ca 0.24 -0.30 -0.18 0.00 0.77 0.00 0.00 58.65 59.19 2klx h GLN 40 Cb -0.09 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 2klx h GLN 40 CO -0.05 0.91 -0.65 0.93 -1.93 0.00 0.00 178.83 178.03 2klx h GLU 41 N 0.69 0.51 -0.00 1.69 4.39 -1.53 -1.18 114.58 119.15 2klx h GLU 41 Ca 0.10 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.34 2klx h GLU 41 Cb 0.69 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2klx h GLU 41 CO 0.05 0.99 -0.36 0.52 -1.16 0.00 0.00 179.01 179.05 2klx h MET 42 N 0.37 0.25 -0.64 2.33 2.86 -0.97 -0.86 114.93 118.27 2klx h MET 42 Ca -0.02 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 2klx h MET 42 Cb 1.22 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 2klx h MET 42 CO 0.12 0.98 0.14 -0.24 1.06 0.00 0.00 176.91 178.97 2klx h VAL 43 N -0.38 1.25 -0.02 -2.22 3.04 -0.65 0.22 116.25 117.50 2klx h VAL 43 Ca -0.04 -0.93 -0.21 0.00 -1.01 0.00 0.00 66.70 64.50 2klx h VAL 43 Cb 1.10 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2klx h VAL 43 CO 0.07 0.35 -0.89 0.06 -1.01 0.00 0.00 177.57 176.16 2klx h GLN 44 N 0.96 0.39 0.00 4.17 -0.00 -1.29 -0.30 115.11 119.04 2klx h GLN 44 Ca 0.20 -0.40 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 2klx h GLN 44 Cb 0.36 0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 2klx h GLN 44 CO 0.00 1.06 0.00 -0.09 -0.00 0.00 0.00 178.83 179.81 2klx h ARG 45 N 0.23 0.00 0.08 0.06 2.43 -0.92 0.47 114.38 116.74 2klx h ARG 45 Ca -0.06 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.74 2klx h ARG 45 Cb 1.51 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 2klx h ARG 45 CO 0.15 0.00 -2.12 0.00 -1.51 0.00 0.00 179.97 176.50 2klx n ALA 46 N -1.94 1.05 -0.12 2.80 0.00 0.76 -4.66 120.51 118.39 2klx n ALA 46 Ca 0.05 -0.75 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 2klx n ALA 46 Cb 0.46 -0.49 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.49 1.96 0.00 0.00 5.15 -0.13 -5.02 115.26 113.73 2klx n ASN 47 Ca -0.37 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2klx n ASN 47 Cb 1.01 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 1.51 1.27 3.10 8.20 0.00 0.16 -5.04 105.19 114.39 2klx n GLY 48 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 0.07 0.01 1.61 6.06 -1.22 -4.82 118.95 120.65 2klx s ARG 49 Ca 0.00 0.05 -0.06 0.00 -2.50 0.00 0.00 55.73 53.22 2klx s ARG 49 Cb 0.00 0.03 -0.00 0.00 0.06 0.00 0.00 34.95 35.03 2klx s ARG 49 CO 0.00 -0.12 0.10 1.21 -2.50 0.00 0.00 175.30 173.99 2klx s ASN 50 N 2.86 0.07 -0.05 -2.12 2.47 -1.26 -4.97 114.94 111.93 2klx s ASN 50 Ca 0.29 -0.26 0.24 0.00 0.42 0.00 0.00 52.86 53.55 2klx s ASN 50 Cb 0.00 0.18 0.42 0.00 -1.45 0.00 0.00 41.25 40.40 2klx s ASN 50 CO -0.22 -0.35 1.15 1.07 -3.72 0.00 0.00 177.10 175.04 2klx n THR 51 N 1.52 0.23 -3.72 -5.21 5.66 -1.26 -4.55 114.28 106.94 2klx n THR 51 Ca -0.23 -1.28 -0.12 0.00 -3.05 0.00 0.00 64.05 59.37 2klx n THR 51 Cb 0.55 1.02 -0.07 0.00 -1.55 0.00 0.00 70.33 70.29 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 -0.67 -0.17 0.42 1.09 0.08 -1.26 -5.14 117.98 112.32 2klx s PHE 52 Ca 0.30 0.10 -0.25 0.00 0.12 0.00 0.00 56.93 57.21 2klx s PHE 52 Cb 0.35 0.14 -0.08 0.00 -0.57 0.00 0.00 43.02 42.86 2klx s PHE 52 CO -0.14 -0.51 1.18 -1.25 -0.10 0.00 0.00 175.22 174.40 2klx s PRO 53 N -2.35 3.95 0.03 0.24 0.04 -1.26 -5.02 135.00 130.63 2klx s PRO 53 Ca -0.06 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 2klx s PRO 53 Cb -0.01 -2.60 0.10 0.00 0.04 0.00 0.00 34.50 32.02 2klx s PRO 53 CO -0.02 -0.41 1.23 1.14 0.04 0.00 0.00 177.00 178.99 2klx s GLN 54 N -2.41 0.58 -0.20 4.56 1.03 -0.61 -4.94 119.66 117.67 2klx s GLN 54 Ca 0.59 -0.36 -0.09 0.00 0.04 0.00 0.00 55.36 55.54 2klx s GLN 54 Cb -0.31 0.17 -0.04 0.00 0.03 0.00 0.00 33.01 32.86 2klx s GLN 54 CO 0.38 -0.27 0.10 0.42 -2.54 0.00 0.00 175.29 173.38 2klx s ILE 55 N -2.16 5.05 0.02 3.63 1.09 -1.25 -0.89 121.20 126.69 2klx s ILE 55 Ca 0.24 0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.88 2klx s ILE 55 Cb 0.00 -3.30 -0.04 0.00 -1.06 0.00 0.00 42.46 38.06 2klx s ILE 55 CO -0.00 0.43 0.00 0.12 -0.10 0.00 0.00 174.94 175.39 2klx s PHE 56 N 0.54 3.05 -0.38 3.97 2.19 0.11 -0.68 117.98 126.78 2klx s PHE 56 Ca 0.05 0.05 0.01 0.00 0.33 0.00 0.00 56.93 57.37 2klx s PHE 56 Cb -0.12 -1.64 0.13 0.00 -1.31 0.00 0.00 43.02 40.08 2klx s PHE 56 CO 0.00 0.46 0.20 0.42 1.83 0.00 0.00 175.22 178.14 2klx s ILE 57 N -1.14 0.81 0.00 3.12 1.01 0.13 -1.24 121.20 123.90 2klx s ILE 57 Ca 0.21 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.85 2klx s ILE 57 Cb -0.12 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2klx s ILE 57 CO 0.12 -0.89 0.00 0.61 0.00 0.00 0.00 174.94 174.78 2klx n GLY 58 N 3.98 0.32 0.95 6.18 0.00 0.98 -0.34 105.19 117.25 2klx n GLY 58 Ca 0.08 0.67 -0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 6.38 2.20 -3.66 1.61 8.00 -1.26 -4.95 116.55 124.87 2klx n ASP 59 Ca 0.00 -3.82 -0.11 0.00 0.71 0.00 0.00 54.79 51.57 2klx n ASP 59 Cb 0.00 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.39 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 -3.24 -0.58 -0.27 1.24 5.04 0.54 -5.13 117.35 114.94 2klx s TYR 60 Ca 0.42 1.19 -0.17 0.00 -2.44 0.00 0.00 57.07 56.07 2klx s TYR 60 Cb 0.39 0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.78 2klx s TYR 60 CO -0.03 -0.41 0.47 -3.38 -1.34 0.00 0.00 175.55 170.87 2klx s HIS 61 N 2.50 3.25 0.00 4.97 -3.43 -1.26 0.22 115.29 121.54 2klx s HIS 61 Ca 0.00 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 2klx s HIS 61 Cb -0.12 -2.70 0.00 0.00 -1.43 0.00 0.00 32.58 28.33 2klx s HIS 61 CO -0.10 -0.29 0.35 0.28 -2.00 0.00 0.00 174.74 172.97 2klx n VAL 62 N 5.18 0.00 0.00 -5.38 0.31 0.14 -4.97 118.33 113.61 2klx n VAL 62 Ca -0.05 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 2klx n VAL 62 Cb 0.50 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 0.85 3.12 3.67 2.92 0.00 -1.21 -4.94 105.19 109.59 2klx n GLY 63 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 2.71 -0.02 -0.02 0.00 -1.26 -3.84 107.32 104.89 2klx s GLY 64 Ca 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 44.72 43.16 2klx s GLY 64 CO 0.00 -2.13 0.42 0.00 0.00 0.00 0.00 173.10 171.39 2klx h ASP 66 N -0.40 0.00 -0.54 0.00 5.19 -1.98 -1.45 116.42 117.23 2klx h ASP 66 Ca -0.02 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.49 2klx h ASP 66 Cb 0.13 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.56 2klx h ASP 66 CO 0.03 0.00 0.10 -0.78 -3.12 0.00 0.00 179.24 175.47 2klx h ASP 67 N 0.00 -0.01 -0.72 6.45 1.82 -1.98 0.48 116.42 122.46 2klx h ASP 67 Ca 0.17 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.90 2klx h ASP 67 Cb 0.91 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 41.02 2klx h ASP 67 CO -0.00 0.02 0.43 0.17 -1.61 0.00 0.00 179.24 178.24 2klx h LEU 68 N 0.24 0.87 0.08 2.28 8.10 -1.35 -0.72 115.31 124.81 2klx h LEU 68 Ca 0.28 -0.05 -0.00 0.00 0.11 0.00 0.00 57.88 58.21 2klx h LEU 68 Cb 0.39 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 2klx h LEU 68 CO -0.36 0.68 -0.04 1.88 -4.11 0.00 0.00 178.44 176.49 2klx h TYR 69 N 1.00 -0.10 -0.90 0.17 -1.99 -1.18 -1.53 116.97 112.44 2klx h TYR 69 Ca 0.26 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.01 2klx h TYR 69 Cb -0.03 0.03 -0.05 0.00 2.00 0.00 0.00 36.73 38.69 2klx h TYR 69 CO 0.00 0.24 0.59 0.00 -0.00 0.00 0.00 178.16 178.99 2klx h ALA 70 N 0.43 1.41 0.46 3.88 0.00 -0.78 -1.07 119.26 123.58 2klx h ALA 70 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2klx h ALA 70 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2klx h ALA 70 CO 0.02 0.52 -0.22 -0.07 0.00 0.00 0.00 179.25 179.50 2klx h LEU 71 N 1.16 -0.52 -2.11 0.00 3.38 -1.07 0.28 115.31 116.42 2klx h LEU 71 Ca 0.35 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.31 2klx h LEU 71 Cb -0.03 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2klx h LEU 71 CO -0.10 -0.21 0.19 1.05 0.09 0.00 0.00 178.44 179.47 2klx h GLU 72 N -0.85 0.00 0.00 1.13 4.11 -1.10 0.36 114.58 118.23 2klx h GLU 72 Ca -0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 2klx h GLU 72 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2klx h GLU 72 CO 0.10 0.00 -0.90 -0.97 0.07 0.00 0.00 179.01 177.31 2klx h ASN 73 N 0.00 0.00 1.61 3.06 -1.24 -0.95 -3.24 115.58 114.82 2klx h ASN 73 Ca 0.11 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 2klx h ASN 73 Cb 0.50 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 2klx h ASN 73 CO -0.00 0.34 -0.40 0.11 -1.29 0.00 0.00 177.43 176.19 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.20 -3.47 116.57 126.54 2klx h LYS 74 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2klx h LYS 74 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2klx h LYS 74 CO 0.03 0.14 0.00 0.41 -2.06 0.00 0.00 179.45 177.98 2klx n GLY 75 N 1.17 -0.50 0.46 3.86 0.00 -0.28 -5.00 105.19 104.90 2klx n GLY 75 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 1.58 -0.25 1.61 4.01 0.10 -4.10 118.16 121.12 2klx n LYS 76 Ca 0.00 -0.90 -0.05 0.00 -0.51 0.00 0.00 58.31 56.84 2klx n LYS 76 Cb 0.00 -1.21 0.05 0.00 -0.51 0.00 0.00 35.03 33.37 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 0.82 -0.73 -0.35 6.46 -1.68 -1.43 115.31 119.88 2klx h LEU 77 Ca 0.00 -0.06 0.14 0.00 -0.12 0.00 0.00 57.88 57.84 2klx h LEU 77 Cb 0.34 -0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 39.96 2klx h LEU 77 CO 0.00 0.64 0.26 0.44 -0.62 0.00 0.00 178.44 179.16 2klx h ASP 78 N 0.94 0.20 -0.14 1.25 3.32 -1.90 0.14 116.42 120.23 2klx h ASP 78 Ca 0.25 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 2klx h ASP 78 Cb -0.04 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2klx h ASP 78 CO -0.05 0.07 -0.26 -1.28 -1.72 0.00 0.00 179.24 176.00 2klx h SER 79 N 0.39 0.47 -0.04 6.45 0.87 -1.76 -0.90 113.55 119.02 2klx h SER 79 Ca 0.40 -0.55 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 2klx h SER 79 Cb 0.63 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2klx h SER 79 CO -0.42 0.93 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.55 2klx h LEU 80 N 0.02 -0.55 0.11 2.23 -0.00 -0.37 0.24 115.31 116.99 2klx h LEU 80 Ca 0.01 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2klx h LEU 80 Cb 0.85 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2klx h LEU 80 CO 0.06 -0.24 -0.05 -0.07 -0.00 0.00 0.00 178.44 178.13 2klx h LEU 81 N -0.28 -0.12 -2.32 1.67 3.38 -0.83 0.21 115.31 117.02 2klx h LEU 81 Ca 0.07 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2klx h LEU 81 Cb 0.37 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2klx h LEU 81 CO -0.20 0.15 0.18 -0.61 0.09 0.00 0.00 178.44 178.06 2klx h GLN 82 N -0.41 0.00 0.00 1.13 4.15 -0.99 0.15 115.11 119.14 2klx h GLN 82 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2klx h GLN 82 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2klx h GLN 82 CO 0.02 0.00 -0.22 -0.44 -1.93 0.00 0.00 178.83 176.27 2klx h ASP 83 N 0.00 0.00 -0.78 -0.69 3.32 -0.15 -3.38 116.42 114.74 2klx h ASP 83 Ca 0.06 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.33 2klx h ASP 83 Cb 0.42 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2klx h ASP 83 CO -0.00 0.37 0.60 -0.37 -1.72 0.00 0.00 179.24 178.12 2klx h VAL 84 N -0.53 0.53 0.00 -1.35 -1.51 -0.49 -3.18 116.25 109.72 2klx h VAL 84 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2klx h VAL 84 Cb 0.22 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2klx h VAL 84 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.75