#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 -4.65 135.00 133.29 2klx s PRO -2 Ca 0.00 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.63 2klx s PRO -2 Cb 0.00 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2klx s PRO -2 CO 0.00 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 173.98 2klx n GLY -1 N 6.71 2.54 3.60 0.56 0.00 -1.26 -5.16 105.19 112.18 2klx n GLY -1 Ca 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 1.43 -1.04 -0.08 1.61 0.01 -1.26 -5.16 113.70 109.22 2klx s SER 0 Ca 0.00 1.43 0.05 0.00 1.31 0.00 0.00 55.95 58.74 2klx s SER 0 Cb 0.00 2.16 -0.01 0.00 0.21 0.00 0.00 66.02 68.38 2klx s SER 0 CO 0.00 -0.20 -0.24 -0.04 0.41 0.00 0.00 173.24 173.17 2klx s MET 1 N 2.77 2.77 0.33 12.44 -1.94 -1.26 -4.89 119.30 129.52 2klx s MET 1 Ca -0.05 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.04 2klx s MET 1 Cb -0.11 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 2klx s MET 1 CO -0.19 0.30 0.39 0.15 -0.01 0.00 0.00 175.02 175.66 2klx s LYS 2 N 0.05 1.81 0.06 2.03 -0.14 -1.23 -5.04 119.74 117.27 2klx s LYS 2 Ca -0.10 -1.82 0.06 0.00 -1.36 0.00 0.00 55.97 52.75 2klx s LYS 2 Cb -0.15 0.40 -0.03 0.00 -1.68 0.00 0.00 37.83 36.36 2klx s LYS 2 CO 0.06 -0.72 -0.17 -1.83 -0.76 0.00 0.00 175.35 171.94 2klx s GLU 3 N -3.28 1.02 -0.11 1.68 -1.05 -0.98 -3.96 118.70 112.03 2klx s GLU 3 Ca 0.34 -0.92 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 2klx s GLU 3 Cb 0.01 -1.10 -0.03 0.00 -0.44 0.00 0.00 34.13 32.56 2klx s GLU 3 CO 0.22 0.26 0.03 -1.50 0.95 0.00 0.00 175.26 175.22 2klx s ILE 4 N -1.01 4.55 -0.08 1.83 -1.16 -1.26 -1.58 121.20 122.49 2klx s ILE 4 Ca 0.03 -0.15 -0.01 0.00 -0.51 0.00 0.00 60.65 60.01 2klx s ILE 4 Cb -0.09 -2.95 0.03 0.00 0.61 0.00 0.00 42.46 40.06 2klx s ILE 4 CO 0.02 0.58 -0.03 -0.63 -2.81 0.00 0.00 174.94 172.07 2klx s ILE 5 N -0.67 0.63 -0.19 2.00 1.01 0.63 -1.44 121.20 123.17 2klx s ILE 5 Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2klx s ILE 5 Cb -0.12 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2klx s ILE 5 CO 0.02 0.29 0.05 -1.48 0.00 0.00 0.00 174.94 173.83 2klx s LEU 6 N 1.66 3.69 -0.38 2.97 2.34 -0.46 0.21 118.68 128.71 2klx s LEU 6 Ca 0.01 0.01 -0.09 0.00 0.06 0.00 0.00 54.13 54.13 2klx s LEU 6 Cb -0.13 -1.94 0.05 0.00 -0.56 0.00 0.00 46.19 43.62 2klx s LEU 6 CO -0.05 0.14 0.20 -0.31 -1.06 0.00 0.00 176.35 175.27 2klx s TYR 7 N 0.58 3.29 -0.01 3.48 2.02 -0.54 -0.23 117.35 125.93 2klx s TYR 7 Ca 0.03 -1.36 -0.25 0.00 -0.37 0.00 0.00 57.07 55.12 2klx s TYR 7 Cb -0.13 -2.62 0.08 0.00 -0.40 0.00 0.00 41.96 38.89 2klx s TYR 7 CO 0.01 -0.76 1.14 0.25 -1.57 0.00 0.00 175.55 174.62 2klx n THR 8 N 4.90 0.00 -2.84 -0.71 -2.24 -0.63 -2.04 114.28 110.72 2klx n THR 8 Ca -0.11 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 2klx n THR 8 Cb 0.44 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.01 3.68 1.00 -0.78 3.03 -1.26 -0.53 118.95 122.07 2klx s ARG 9 Ca 0.27 0.32 -0.12 0.00 2.03 0.00 0.00 55.73 58.23 2klx s ARG 9 Cb -0.01 -2.42 0.19 0.00 -1.03 0.00 0.00 34.95 31.68 2klx s ARG 9 CO -0.00 -0.06 1.09 -1.25 -1.13 0.00 0.00 175.30 173.95 2klx s PRO 10 N -4.11 0.43 -0.18 3.89 0.04 -1.26 -3.63 135.00 130.18 2klx s PRO 10 Ca 0.49 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2klx s PRO 10 Cb -0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2klx s PRO 10 CO 0.36 -2.73 0.00 0.09 0.04 0.00 0.00 177.00 174.75 2klx n ASN 11 N -4.18 -4.93 -4.61 6.66 3.02 -1.26 -4.91 115.26 105.06 2klx n ASN 11 Ca 0.05 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 2klx n ASN 11 Cb 0.57 -2.58 -0.03 0.00 -0.61 0.00 0.00 39.78 37.13 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 14.15 0.78 -0.28 0.00 0.13 -1.94 -3.07 132.00 141.79 2klx h PRO 13 Ca -0.41 -0.41 -0.11 0.00 -0.87 0.00 0.00 66.00 64.20 2klx h PRO 13 Cb 1.23 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2klx h PRO 13 CO 0.97 1.04 -0.25 0.10 -0.23 0.00 0.00 178.00 179.63 2klx h TYR 14 N 0.55 0.78 -0.06 1.56 -0.00 -2.01 -2.85 116.97 114.95 2klx h TYR 14 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 58.73 58.57 2klx h TYR 14 Cb 0.89 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.45 2klx h TYR 14 CO 0.07 0.95 0.11 0.00 -0.00 0.00 0.00 178.16 179.29 2klx h LYS 16 N 0.00 0.16 0.09 0.00 1.57 -1.40 0.35 116.57 117.34 2klx h LYS 16 Ca 0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2klx h LYS 16 Cb 0.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2klx h LYS 16 CO -0.00 0.11 -0.04 0.00 -0.57 0.00 0.00 179.45 178.94 2klx h ARG 17 N 0.17 -0.12 0.29 3.15 3.08 -1.55 0.37 114.38 119.76 2klx h ARG 17 Ca 0.56 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.62 2klx h ARG 17 Cb 1.89 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.95 2klx h ARG 17 CO -0.13 0.16 -0.21 0.00 -1.07 0.00 0.00 179.97 178.71 2klx h ALA 18 N 0.48 -0.49 -0.48 0.04 0.00 -1.15 -1.15 119.26 116.50 2klx h ALA 18 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2klx h ALA 18 Cb 0.34 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2klx h ALA 18 CO 0.02 -0.79 0.31 0.07 0.00 0.00 0.00 179.25 178.86 2klx h ARG 19 N -0.50 0.64 -0.09 0.00 0.11 -1.37 -1.75 114.38 111.42 2klx h ARG 19 Ca -0.02 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 2klx h ARG 19 Cb 0.44 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 2klx h ARG 19 CO -0.00 0.43 0.04 -0.44 0.10 0.00 0.00 179.97 180.10 2klx h ASP 20 N 0.66 0.12 -0.37 0.08 5.19 -0.42 -1.17 116.42 120.50 2klx h ASP 20 Ca 0.18 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2klx h ASP 20 Cb -0.06 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 2klx h ASP 20 CO -0.04 0.23 0.20 0.25 -3.12 0.00 0.00 179.24 176.77 2klx h LEU 21 N -0.01 0.47 0.60 1.55 6.46 -0.82 0.85 115.31 124.42 2klx h LEU 21 Ca 0.03 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2klx h LEU 21 Cb 0.15 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2klx h LEU 21 CO -0.00 0.44 -0.42 -0.07 -0.62 0.00 0.00 178.44 177.76 2klx h LEU 22 N 0.47 -1.08 -1.80 2.25 4.07 -1.24 0.19 115.31 118.18 2klx h LEU 22 Ca 0.13 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.17 2klx h LEU 22 Cb 0.07 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2klx h LEU 22 CO -0.02 -0.63 0.15 -0.78 -1.08 0.00 0.00 178.44 176.09 2klx h ASP 23 N -0.98 0.23 -0.22 -0.43 1.82 -1.18 -0.97 116.42 114.69 2klx h ASP 23 Ca -0.07 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.45 2klx h ASP 23 Cb 0.81 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 2klx h ASP 23 CO 0.04 0.17 -0.24 0.11 -1.61 0.00 0.00 179.24 177.70 2klx h LYS 24 N 0.27 0.69 0.00 0.28 1.79 -0.29 -2.97 116.57 116.35 2klx h LYS 24 Ca 0.09 -0.28 -0.19 0.00 -2.18 0.00 0.00 60.65 58.08 2klx h LYS 24 Cb 0.02 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2klx h LYS 24 CO -0.02 0.87 -0.87 0.87 -1.08 0.00 0.00 179.45 179.23 2klx h LYS 25 N 0.60 0.16 0.00 3.15 6.56 0.05 -3.48 116.57 123.62 2klx h LYS 25 Ca 0.08 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2klx h LYS 25 Cb 0.73 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2klx h LYS 25 CO 0.06 0.93 0.00 0.41 -2.06 0.00 0.00 179.45 178.79 2klx n GLY 26 N 0.87 0.75 3.29 3.86 0.00 -0.47 -5.11 105.19 108.38 2klx n GLY 26 Ca -0.03 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.41 0.41 -0.38 1.61 -7.23 -1.13 -5.01 120.40 107.26 2klx s VAL 27 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2klx s VAL 27 Cb 0.00 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.41 2klx s VAL 27 CO 0.00 0.00 0.18 -0.54 -0.31 0.00 0.00 175.10 174.43 2klx s LYS 28 N -4.04 2.51 0.04 4.82 3.01 -1.26 -4.54 119.74 120.28 2klx s LYS 28 Ca 0.38 -1.40 -0.06 0.00 -1.01 0.00 0.00 55.97 53.88 2klx s LYS 28 Cb 0.07 -3.59 -0.05 0.00 -1.01 0.00 0.00 37.83 33.25 2klx s LYS 28 CO 0.14 -0.84 0.30 1.52 0.51 0.00 0.00 175.35 176.98 2klx s TYR 29 N 1.36 3.56 -0.26 3.18 -0.85 -1.26 -4.33 117.35 118.75 2klx s TYR 29 Ca 0.02 0.59 -0.08 0.00 -0.52 0.00 0.00 57.07 57.07 2klx s TYR 29 Cb -0.21 -2.01 -0.03 0.00 0.38 0.00 0.00 41.96 40.09 2klx s TYR 29 CO 0.01 0.57 0.09 0.99 -1.52 0.00 0.00 175.55 175.69 2klx s THR 30 N -1.39 4.48 -0.42 -3.49 2.01 -0.52 -5.03 115.64 111.29 2klx s THR 30 Ca 0.31 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 2klx s THR 30 Cb -0.13 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.28 2klx s THR 30 CO 0.19 0.30 0.71 1.51 -0.69 0.00 0.00 174.62 176.63 2klx s ASP 31 N 1.64 6.39 -0.25 3.53 -4.77 -1.26 -1.35 116.67 120.60 2klx s ASP 31 Ca 0.06 -0.10 -0.15 0.00 -3.30 0.00 0.00 52.55 49.06 2klx s ASP 31 Cb -0.15 -2.35 -0.04 0.00 -1.09 0.00 0.00 42.92 39.29 2klx s ASP 31 CO 0.05 -0.79 0.35 -0.63 0.70 0.00 0.00 175.17 174.85 2klx s ILE 32 N 3.00 5.20 0.41 2.11 -1.09 0.68 -4.99 121.20 126.51 2klx s ILE 32 Ca 0.26 0.55 -0.26 0.00 -2.23 0.00 0.00 60.65 58.98 2klx s ILE 32 Cb -0.13 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 2klx s ILE 32 CO 0.19 0.19 1.23 0.47 -1.23 0.00 0.00 174.94 175.80 2klx n ASP 33 N 5.06 2.37 0.27 3.58 8.00 -1.25 -1.60 116.55 132.98 2klx n ASP 33 Ca -0.09 1.11 0.19 0.00 0.71 0.00 0.00 54.79 56.70 2klx n ASP 33 Cb 0.51 -1.47 0.98 0.00 -0.02 0.00 0.00 41.12 41.11 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2klx h ALA 34 N 2.05 1.00 -1.04 2.24 0.00 -1.16 -3.38 119.26 118.97 2klx h ALA 34 Ca -0.47 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 2klx h ALA 34 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2klx h ALA 34 CO 0.60 0.00 1.48 0.45 0.00 0.00 0.00 179.25 181.78 2klx n SER 35 N -2.80 1.96 0.13 0.00 2.88 -1.26 -4.75 113.62 109.78 2klx n SER 35 Ca -0.02 0.27 0.19 0.00 -1.33 0.00 0.00 58.87 57.98 2klx n SER 35 Cb 0.08 -1.27 0.77 0.00 -0.75 0.00 0.00 64.21 63.04 2klx n SER 35 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2klx h THR 36 N 7.26 0.41 -0.91 2.46 1.35 -1.94 0.24 112.91 121.78 2klx h THR 36 Ca -0.24 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 65.87 2klx h THR 36 Cb 1.31 0.71 -0.05 0.00 -1.73 0.00 0.00 68.15 68.40 2klx h THR 36 CO 1.07 0.00 0.64 0.28 -0.25 0.00 0.00 175.52 177.26 2klx h SER 37 N 0.00 0.11 0.00 5.36 0.02 -1.94 0.68 113.55 117.78 2klx h SER 37 Ca 0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2klx h SER 37 Cb 0.87 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2klx h SER 37 CO -0.00 0.04 -0.93 0.18 -1.14 0.00 0.00 176.83 174.98 2klx n LEU 38 N -4.34 0.11 -0.06 5.07 4.32 -0.26 -4.59 117.00 117.27 2klx n LEU 38 Ca 0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.05 2klx n LEU 38 Cb 0.91 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.64 2klx n LEU 38 CO 0.36 0.02 0.59 -0.09 -1.22 0.00 0.00 177.39 177.05 2klx h ARG 39 N 0.00 0.40 -0.44 3.23 1.12 -0.47 -0.60 114.38 117.62 2klx h ARG 39 Ca 0.00 -0.22 0.02 0.00 -1.11 0.00 0.00 59.98 58.67 2klx h ARG 39 Cb 0.93 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.87 2klx h ARG 39 CO 0.00 0.78 0.26 0.37 -3.11 0.00 0.00 179.97 178.28 2klx h GLN 40 N 0.04 0.52 -0.43 0.20 4.15 -1.05 0.21 115.11 118.74 2klx h GLN 40 Ca 0.02 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 2klx h GLN 40 Cb 0.72 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2klx h GLN 40 CO 0.04 0.34 -0.20 1.05 -1.93 0.00 0.00 178.83 178.13 2klx h GLU 41 N 0.53 0.89 0.16 1.69 4.11 -1.65 -0.07 114.58 120.25 2klx h GLU 41 Ca 0.18 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 2klx h GLU 41 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2klx h GLU 41 CO -0.08 1.04 -0.08 0.52 0.07 0.00 0.00 179.01 180.48 2klx h MET 42 N 0.72 -0.21 -0.37 1.06 2.86 -0.76 -1.57 114.93 116.66 2klx h MET 42 Ca 0.10 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2klx h MET 42 Cb 0.77 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 2klx h MET 42 CO 0.06 -0.00 -0.03 -0.24 1.06 0.00 0.00 176.91 177.76 2klx h VAL 43 N -0.39 1.22 0.08 -2.22 3.04 -0.62 0.19 116.25 117.55 2klx h VAL 43 Ca -0.02 -0.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.75 2klx h VAL 43 Cb 0.30 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2klx h VAL 43 CO 0.04 0.31 -0.04 1.56 -1.01 0.00 0.00 177.57 178.43 2klx h GLN 44 N 0.57 -0.10 0.00 4.17 4.20 -0.85 -1.59 115.11 121.51 2klx h GLN 44 Ca 0.12 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2klx h GLN 44 Cb 0.41 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2klx h GLN 44 CO 0.02 0.03 0.00 -2.13 -0.67 0.00 0.00 178.83 176.07 2klx n ARG 45 N -5.09 0.23 0.03 1.46 0.63 -0.61 0.66 116.66 113.97 2klx n ARG 45 Ca -0.08 0.22 -0.19 0.00 -0.92 0.00 0.00 57.85 56.88 2klx n ARG 45 Cb 0.11 -1.78 -0.11 0.00 0.45 0.00 0.00 32.46 31.13 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2klx h ALA 46 N 2.54 0.11 0.00 5.13 0.00 -0.24 -3.42 119.26 123.39 2klx h ALA 46 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2klx h ALA 46 Cb 0.67 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2klx h ALA 46 CO 0.00 0.56 -1.06 0.27 0.00 0.00 0.00 179.25 179.02 2klx n ASN 47 N -3.99 1.16 0.00 0.00 6.94 -0.63 -4.92 115.26 113.81 2klx n ASN 47 Ca -0.11 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2klx n ASN 47 Cb 0.80 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 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 3.08 2.56 2.65 4.83 0.00 0.21 -5.07 105.19 113.45 2klx n GLY 48 Ca -0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 0.15 -0.22 1.61 3.52 -1.25 -4.68 118.95 118.07 2klx s ARG 49 Ca 0.00 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 2klx s ARG 49 Cb 0.00 -1.41 0.16 0.00 -1.56 0.00 0.00 34.95 32.14 2klx s ARG 49 CO 0.00 -0.77 1.18 1.21 -0.81 0.00 0.00 175.30 176.11 2klx s ASN 50 N 2.20 -0.20 -0.40 -2.12 2.47 -1.26 -5.01 114.94 110.61 2klx s ASN 50 Ca 0.05 0.22 0.10 0.00 0.42 0.00 0.00 52.86 53.66 2klx s ASN 50 Cb -0.16 0.17 0.37 0.00 -1.45 0.00 0.00 41.25 40.18 2klx s ASN 50 CO -0.18 -0.19 1.10 1.07 -3.72 0.00 0.00 177.10 175.19 2klx n THR 51 N 0.63 0.12 -3.71 -5.21 5.66 -1.26 -4.15 114.28 106.37 2klx n THR 51 Ca -0.05 -2.27 -0.12 0.00 -3.05 0.00 0.00 64.05 58.56 2klx n THR 51 Cb 0.58 0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 70.21 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 -0.74 -0.16 0.43 1.09 0.40 -1.26 -5.04 117.98 112.70 2klx s PHE 52 Ca 0.26 0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.39 2klx s PHE 52 Cb 0.36 0.15 -0.08 0.00 0.51 0.00 0.00 43.02 43.96 2klx s PHE 52 CO -0.05 -0.54 1.18 -1.25 0.70 0.00 0.00 175.22 175.25 2klx s PRO 53 N -2.65 3.91 -0.06 0.24 0.04 -1.26 -5.02 135.00 130.19 2klx s PRO 53 Ca -0.04 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2klx s PRO 53 Cb -0.00 -2.56 0.11 0.00 0.04 0.00 0.00 34.50 32.09 2klx s PRO 53 CO -0.04 -0.44 1.35 1.14 0.04 0.00 0.00 177.00 179.05 2klx s GLN 54 N -2.48 0.16 -0.40 4.56 1.03 -0.87 -4.88 119.66 116.79 2klx s GLN 54 Ca 0.60 -0.10 -0.15 0.00 0.04 0.00 0.00 55.36 55.75 2klx s GLN 54 Cb -0.30 0.05 0.02 0.00 0.03 0.00 0.00 33.01 32.80 2klx s GLN 54 CO 0.38 -0.08 0.31 0.42 -2.54 0.00 0.00 175.29 173.78 2klx s ILE 55 N -2.05 5.25 -0.06 3.63 1.09 -1.24 -1.47 121.20 126.34 2klx s ILE 55 Ca 0.27 -0.58 -0.13 0.00 -1.10 0.00 0.00 60.65 59.12 2klx s ILE 55 Cb 0.02 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 2klx s ILE 55 CO -0.03 -0.28 0.32 0.12 -0.10 0.00 0.00 174.94 174.97 2klx s PHE 56 N 1.73 3.64 -0.14 3.97 2.19 0.13 -0.05 117.98 129.45 2klx s PHE 56 Ca 0.06 0.80 -0.04 0.00 0.33 0.00 0.00 56.93 58.08 2klx s PHE 56 Cb -0.19 -2.22 0.07 0.00 -1.31 0.00 0.00 43.02 39.37 2klx s PHE 56 CO 0.10 0.58 0.25 0.96 1.83 0.00 0.00 175.22 178.94 2klx s ILE 57 N -0.72 -0.39 -1.57 3.12 -0.00 0.10 -0.27 121.20 121.47 2klx s ILE 57 Ca 0.20 0.22 -0.10 0.00 -0.00 0.00 0.00 60.65 60.97 2klx s ILE 57 Cb -0.15 -0.47 0.08 0.00 -0.00 0.00 0.00 42.46 41.92 2klx s ILE 57 CO 0.09 0.07 0.62 0.61 -0.00 0.00 0.00 174.94 176.33 2klx n GLY 58 N 5.34 -0.35 2.16 6.27 0.00 -0.62 0.14 105.19 118.15 2klx n GLY 58 Ca -0.06 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2klx n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2klx n ASP 59 N -2.81 -3.02 -3.77 1.61 -0.08 -1.26 -5.02 116.55 102.21 2klx n ASP 59 Ca -0.10 -0.01 -0.28 0.00 -1.51 0.00 0.00 54.79 52.90 2klx n ASP 59 Cb 0.58 -2.31 -0.16 0.00 2.34 0.00 0.00 41.12 41.57 2klx n ASP 59 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2klx s TYR 60 N -2.43 1.18 -0.04 -0.67 5.04 0.12 -4.98 117.35 115.56 2klx s TYR 60 Ca 0.00 -0.91 -0.25 0.00 -2.44 0.00 0.00 57.07 53.47 2klx s TYR 60 Cb -0.00 -1.08 -0.04 0.00 0.35 0.00 0.00 41.96 41.19 2klx s TYR 60 CO 0.00 -0.61 0.76 -3.38 -1.34 0.00 0.00 175.55 170.98 2klx s HIS 61 N 1.81 3.61 0.00 4.97 -3.43 -1.26 0.01 115.29 121.00 2klx s HIS 61 Ca -0.01 1.35 0.00 0.00 -0.80 0.00 0.00 55.06 55.60 2klx s HIS 61 Cb -0.17 -2.86 0.00 0.00 -1.43 0.00 0.00 32.58 28.12 2klx s HIS 61 CO -0.08 0.10 0.00 0.28 -2.00 0.00 0.00 174.74 173.04 2klx n VAL 62 N 3.67 0.00 0.00 -5.38 0.31 0.93 -4.98 118.33 112.89 2klx n VAL 62 Ca -0.00 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2klx n VAL 62 Cb 0.51 -1.31 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 1.86 1.02 3.87 2.92 0.00 -1.26 -4.86 105.19 108.74 2klx n GLY 63 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 2.06 0.22 -0.02 0.00 -1.26 -3.69 107.32 104.62 2klx s GLY 64 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 2klx s GLY 64 CO 0.00 0.04 1.56 0.00 0.00 0.00 0.00 173.10 174.70 2klx h ASP 66 N 0.37 0.00 -0.09 0.00 3.04 -1.94 -3.27 116.42 114.53 2klx h ASP 66 Ca 0.02 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.85 2klx h ASP 66 Cb 1.00 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.24 2klx h ASP 66 CO 0.09 0.42 -0.26 -0.78 -2.04 0.00 0.00 179.24 176.66 2klx h ASP 67 N 0.00 -0.81 -0.95 4.15 1.82 -1.92 0.11 116.42 118.82 2klx h ASP 67 Ca -0.00 0.12 0.16 0.00 -0.39 0.00 0.00 57.03 56.92 2klx h ASP 67 Cb 0.99 0.35 -0.08 0.00 0.68 0.00 0.00 39.33 41.27 2klx h ASP 67 CO 0.05 -0.32 0.60 0.17 -1.61 0.00 0.00 179.24 178.14 2klx h LEU 68 N -0.35 0.70 0.15 2.28 8.10 -1.66 0.14 115.31 124.67 2klx h LEU 68 Ca 0.09 0.06 -0.01 0.00 0.11 0.00 0.00 57.88 58.13 2klx h LEU 68 Cb 0.49 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 2klx h LEU 68 CO -0.30 0.31 -0.07 1.88 -4.11 0.00 0.00 178.44 176.16 2klx h TYR 69 N 0.72 -0.18 -0.40 0.17 -1.99 -1.33 -1.43 116.97 112.53 2klx h TYR 69 Ca 0.50 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.30 2klx h TYR 69 Cb 0.82 0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.55 2klx h TYR 69 CO -0.00 0.22 0.04 0.00 -0.00 0.00 0.00 178.16 178.41 2klx h ALA 70 N 0.09 0.40 -0.15 3.88 0.00 -0.14 -0.51 119.26 122.83 2klx h ALA 70 Ca -0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2klx h ALA 70 Cb 0.48 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2klx h ALA 70 CO 0.03 -0.36 0.08 -0.07 0.00 0.00 0.00 179.25 178.93 2klx h LEU 71 N 0.15 0.18 -1.43 0.00 3.38 -1.04 0.31 115.31 116.86 2klx h LEU 71 Ca 0.20 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2klx h LEU 71 Cb 0.26 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2klx h LEU 71 CO -0.29 0.20 0.49 -0.08 0.09 0.00 0.00 178.44 178.85 2klx h GLU 72 N 0.14 0.61 0.00 1.13 4.81 -0.75 0.40 114.58 120.93 2klx h GLU 72 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2klx h GLU 72 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2klx h GLU 72 CO -0.01 0.40 -0.49 -0.97 -0.73 0.00 0.00 179.01 177.21 2klx h ASN 73 N 0.63 0.00 1.66 1.04 -0.73 -0.64 -3.15 115.58 114.39 2klx h ASN 73 Ca 0.34 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.45 2klx h ASN 73 Cb 0.49 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 2klx h ASN 73 CO -0.12 0.01 -0.34 0.11 -0.37 0.00 0.00 177.43 176.71 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.57 0.18 -3.47 116.57 121.52 2klx h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2klx h LYS 74 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2klx h LYS 74 CO 0.00 0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.49 2klx n GLY 75 N 1.17 -0.17 0.82 3.86 0.00 -0.20 -4.99 105.19 105.68 2klx n GLY 75 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 2.16 -0.34 1.61 4.01 0.12 -4.24 118.16 121.48 2klx n LYS 76 Ca 0.00 -1.37 0.01 0.00 -0.51 0.00 0.00 58.31 56.44 2klx n LYS 76 Cb 0.00 -1.46 0.15 0.00 -0.51 0.00 0.00 35.03 33.21 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 2.06 0.94 -0.52 -0.35 6.46 -1.65 -1.35 115.31 120.90 2klx h LEU 77 Ca 0.00 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.86 2klx h LEU 77 Cb 0.71 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 2klx h LEU 77 CO 0.07 0.60 0.12 -0.78 -0.62 0.00 0.00 178.44 177.84 2klx h ASP 78 N 1.07 0.03 0.01 1.25 1.82 -1.89 0.27 116.42 118.99 2klx h ASP 78 Ca 0.39 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 57.12 2klx h ASP 78 Cb 0.14 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2klx h ASP 78 CO -0.17 0.04 -0.01 -1.28 -1.61 0.00 0.00 179.24 176.22 2klx h SER 79 N 0.26 -0.01 -0.10 2.28 0.87 -1.72 -0.58 113.55 114.55 2klx h SER 79 Ca 0.26 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 2klx h SER 79 Cb 0.35 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 2klx h SER 79 CO -0.33 0.37 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.09 2klx h LEU 80 N -0.40 -0.54 -0.50 2.23 -0.00 -0.87 0.26 115.31 115.48 2klx h LEU 80 Ca -0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2klx h LEU 80 Cb 0.39 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2klx h LEU 80 CO 0.00 -0.23 0.29 -0.07 -0.00 0.00 0.00 178.44 178.43 2klx h LEU 81 N -0.24 0.61 -1.85 1.67 4.07 -0.52 -0.90 115.31 118.15 2klx h LEU 81 Ca 0.09 -0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.99 2klx h LEU 81 Cb 0.36 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2klx h LEU 81 CO -0.24 0.51 0.15 -0.61 -1.08 0.00 0.00 178.44 177.18 2klx h GLN 82 N 0.66 0.19 0.18 1.13 -0.00 -0.58 0.45 115.11 117.14 2klx h GLN 82 Ca 0.18 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 2klx h GLN 82 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.46 2klx h GLN 82 CO -0.03 0.13 -0.09 -0.44 0.00 0.00 0.00 178.83 178.40 2klx h ASP 83 N 0.19 -0.21 -0.80 -0.69 3.32 -0.26 -3.27 116.42 114.70 2klx h ASP 83 Ca 0.09 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.32 2klx h ASP 83 Cb 0.13 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 2klx h ASP 83 CO -0.02 0.24 0.53 -0.37 -1.72 0.00 0.00 179.24 177.91 2klx h VAL 84 N -1.03 0.74 0.00 -1.35 -1.51 -1.09 -2.59 116.25 109.43 2klx h VAL 84 Ca -0.03 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2klx h VAL 84 Cb 0.19 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 2klx h VAL 84 CO 0.04 0.07 0.00 1.57 -1.23 0.00 0.00 177.57 178.02