#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 1.09 -0.13 1.61 0.04 -1.26 -4.98 135.00 131.37 2klx s PRO -2 Ca 0.00 0.76 0.15 0.00 0.04 0.00 0.00 61.00 61.95 2klx s PRO -2 Cb 0.00 -1.79 0.51 0.00 0.04 0.00 0.00 34.50 33.26 2klx s PRO -2 CO 0.00 -2.34 1.43 0.41 0.04 0.00 0.00 177.00 176.54 2klx n GLY -1 N -1.12 3.53 3.33 0.56 0.00 -1.26 -4.90 105.19 105.33 2klx n GLY -1 Ca 0.07 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.78 2klx n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2klx s SER 0 N -1.52 6.19 -0.51 1.61 0.15 -1.26 -4.93 113.70 113.42 2klx s SER 0 Ca 0.39 -1.69 0.07 0.00 0.70 0.00 0.00 55.95 55.43 2klx s SER 0 Cb 0.29 -2.23 0.34 0.00 -1.71 0.00 0.00 66.02 62.71 2klx s SER 0 CO 0.13 -0.92 0.87 0.23 1.20 0.00 0.00 173.24 174.74 2klx n MET 1 N 5.52 2.45 -0.75 5.44 2.81 -1.26 -5.05 117.12 126.28 2klx n MET 1 Ca -0.13 -4.36 -0.29 0.00 -1.81 0.00 0.00 57.70 51.12 2klx n MET 1 Cb 0.41 -2.05 0.24 0.00 -0.71 0.00 0.00 33.22 31.11 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 -3.08 -1.09 -0.01 0.03 -0.14 -1.26 -5.07 119.74 109.13 2klx s LYS 2 Ca 0.46 0.47 -0.04 0.00 -1.36 0.00 0.00 55.97 55.49 2klx s LYS 2 Cb 0.30 -1.56 -0.00 0.00 -1.68 0.00 0.00 37.83 34.88 2klx s LYS 2 CO -0.12 -3.74 0.09 -1.83 -0.76 0.00 0.00 175.35 168.99 2klx s GLU 3 N -4.84 0.31 -0.09 1.68 1.03 -0.69 -4.60 118.70 111.50 2klx s GLU 3 Ca 0.68 -0.24 -0.01 0.00 0.03 0.00 0.00 54.97 55.43 2klx s GLU 3 Cb -0.19 0.13 -0.03 0.00 -0.80 0.00 0.00 34.13 33.24 2klx s GLU 3 CO 0.60 -0.06 -0.05 -1.50 -1.33 0.00 0.00 175.26 172.92 2klx s ILE 4 N -0.86 3.86 0.07 1.83 -1.16 -1.26 -0.71 121.20 122.97 2klx s ILE 4 Ca -0.10 -0.41 0.04 0.00 -0.51 0.00 0.00 60.65 59.67 2klx s ILE 4 Cb -0.06 -2.61 -0.03 0.00 0.61 0.00 0.00 42.46 40.38 2klx s ILE 4 CO 0.00 0.58 -0.11 -0.63 -2.81 0.00 0.00 174.94 171.98 2klx s ILE 5 N -0.62 0.90 -0.17 2.00 1.01 -0.47 -1.37 121.20 122.48 2klx s ILE 5 Ca 0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.37 2klx s ILE 5 Cb -0.12 -1.05 0.05 0.00 0.01 0.00 0.00 42.46 41.35 2klx s ILE 5 CO 0.02 -0.39 -0.03 -1.48 0.00 0.00 0.00 174.94 173.06 2klx s LEU 6 N -1.95 1.52 -0.32 2.97 2.34 0.09 0.35 118.68 123.68 2klx s LEU 6 Ca -0.01 -0.69 -0.17 0.00 0.06 0.00 0.00 54.13 53.32 2klx s LEU 6 Cb -0.07 -0.83 -0.01 0.00 -0.56 0.00 0.00 46.19 44.71 2klx s LEU 6 CO 0.01 -0.21 0.48 -0.31 -1.06 0.00 0.00 176.35 175.26 2klx s TYR 7 N 1.69 3.21 -0.05 3.48 2.02 -0.05 -0.57 117.35 127.08 2klx s TYR 7 Ca 0.00 0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.71 2klx s TYR 7 Cb -0.16 -2.81 0.10 0.00 -0.40 0.00 0.00 41.96 38.69 2klx s TYR 7 CO -0.07 -0.43 1.33 0.95 -1.57 0.00 0.00 175.55 175.75 2klx s THR 8 N 2.31 0.00 0.38 -0.71 -4.23 -0.64 -2.84 115.64 109.90 2klx s THR 8 Ca 0.18 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.51 2klx s THR 8 Cb -0.16 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 2klx s THR 8 CO 0.12 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.90 2klx s ARG 9 N -2.04 3.69 0.94 3.99 1.70 -1.26 -0.41 118.95 125.55 2klx s ARG 9 Ca 0.28 0.27 -0.12 0.00 -0.47 0.00 0.00 55.73 55.70 2klx s ARG 9 Cb 0.01 -2.47 0.15 0.00 -0.57 0.00 0.00 34.95 32.07 2klx s ARG 9 CO -0.02 0.02 1.09 -1.25 -1.08 0.00 0.00 175.30 174.06 2klx s PRO 10 N -3.91 0.91 -1.58 3.89 0.04 -1.26 -3.62 135.00 129.47 2klx s PRO 10 Ca 0.48 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2klx s PRO 10 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2klx s PRO 10 CO 0.33 -2.45 0.00 0.09 0.04 0.00 0.00 177.00 175.01 2klx n ASN 11 N -4.01 -5.10 -4.65 6.66 3.02 -1.26 -4.94 115.26 104.98 2klx n ASN 11 Ca 0.06 0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 54.55 2klx n ASN 11 Cb 0.56 -3.91 -0.02 0.00 -0.61 0.00 0.00 39.78 35.79 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 7.59 0.49 -0.88 0.00 0.13 -1.93 -3.13 132.00 134.26 2klx h PRO 13 Ca -0.20 -0.26 0.20 0.00 -0.87 0.00 0.00 66.00 64.87 2klx h PRO 13 Cb 1.06 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 2klx h PRO 13 CO 0.98 0.83 0.59 1.88 -0.23 0.00 0.00 178.00 182.04 2klx h TYR 14 N 0.16 0.54 -0.30 1.56 0.05 -2.00 0.27 116.97 117.24 2klx h TYR 14 Ca 0.03 0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.91 2klx h TYR 14 Cb 0.74 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 2klx h TYR 14 CO 0.08 0.15 0.33 0.00 -1.05 0.00 0.00 178.16 177.67 2klx h LYS 16 N 0.00 0.46 0.23 0.00 1.57 -0.62 0.29 116.57 118.50 2klx h LYS 16 Ca 0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2klx h LYS 16 Cb 0.79 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2klx h LYS 16 CO -0.00 0.30 -0.11 0.00 -0.57 0.00 0.00 179.45 179.07 2klx h ARG 17 N 0.47 -0.30 0.63 3.15 2.47 -1.38 -1.18 114.38 118.25 2klx h ARG 17 Ca 0.57 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 59.28 2klx h ARG 17 Cb 1.31 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 29.70 2klx h ARG 17 CO -0.29 0.01 -0.30 0.00 0.56 0.00 0.00 179.97 179.94 2klx h ALA 18 N 0.06 -0.85 -0.93 0.04 0.00 -1.36 -1.07 119.26 115.15 2klx h ALA 18 Ca -0.03 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.88 2klx h ALA 18 Cb 0.44 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2klx h ALA 18 CO 0.05 -0.91 0.61 0.07 0.00 0.00 0.00 179.25 179.07 2klx h ARG 19 N -1.00 0.43 -0.33 0.00 -0.00 -0.57 0.89 114.38 113.79 2klx h ARG 19 Ca -0.09 -0.03 -0.18 0.00 -0.00 0.00 0.00 59.98 59.69 2klx h ARG 19 Cb 0.69 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.97 30.56 2klx h ARG 19 CO 0.14 0.28 -0.48 0.22 -0.00 0.00 0.00 179.97 180.14 2klx h ASP 20 N 0.44 1.00 0.40 0.08 3.58 -1.00 -0.58 116.42 120.34 2klx h ASP 20 Ca 0.49 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2klx h ASP 20 Cb 1.18 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2klx h ASP 20 CO -0.20 1.31 -0.19 0.25 -2.88 0.00 0.00 179.24 177.52 2klx h LEU 21 N 0.72 -0.46 -0.35 2.28 6.46 0.49 0.24 115.31 124.70 2klx h LEU 21 Ca 0.04 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 2klx h LEU 21 Cb 1.08 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2klx h LEU 21 CO 0.11 -0.31 0.06 -0.07 -0.62 0.00 0.00 178.44 177.61 2klx h LEU 22 N -0.56 0.54 -1.87 2.25 -0.00 -1.40 -1.24 115.31 113.03 2klx h LEU 22 Ca -0.06 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 57.55 2klx h LEU 22 Cb 0.42 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2klx h LEU 22 CO 0.09 0.66 -0.10 -0.78 -0.00 0.00 0.00 178.44 178.31 2klx h ASP 23 N 0.41 0.00 0.10 -0.43 1.82 -1.02 -0.24 116.42 117.06 2klx h ASP 23 Ca 0.11 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.45 2klx h ASP 23 Cb 0.35 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.38 2klx h ASP 23 CO 0.01 0.10 -1.20 0.11 -1.61 0.00 0.00 179.24 176.65 2klx h LYS 24 N 0.00 0.63 -0.06 0.28 1.57 -0.13 -3.27 116.57 115.59 2klx h LYS 24 Ca -0.00 -0.82 -0.13 0.00 -1.87 0.00 0.00 60.65 57.84 2klx h LYS 24 Cb 0.20 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2klx h LYS 24 CO 0.01 1.37 -0.53 0.87 -0.57 0.00 0.00 179.45 180.61 2klx h LYS 25 N 0.28 0.17 -0.05 3.15 6.56 -0.76 -3.48 116.57 122.44 2klx h LYS 25 Ca -0.18 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2klx h LYS 25 Cb 1.87 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.54 2klx h LYS 25 CO 0.23 0.66 0.00 0.41 -2.06 0.00 0.00 179.45 178.69 2klx n GLY 26 N 0.06 0.70 3.37 3.86 0.00 -0.14 -5.10 105.19 107.95 2klx n GLY 26 Ca -0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 0.59 -0.49 1.61 -7.23 -0.96 -5.04 120.40 107.35 2klx s VAL 27 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2klx s VAL 27 Cb 0.00 -2.58 0.13 0.00 0.56 0.00 0.00 36.38 34.49 2klx s VAL 27 CO 0.00 0.00 0.31 -0.75 -0.31 0.00 0.00 175.10 174.35 2klx s LYS 28 N -3.89 2.30 0.09 4.82 2.47 -1.26 -4.59 119.74 119.68 2klx s LYS 28 Ca 0.35 -1.99 -0.21 0.00 -1.56 0.00 0.00 55.97 52.56 2klx s LYS 28 Cb 0.06 -3.73 -0.07 0.00 -1.46 0.00 0.00 37.83 32.63 2klx s LYS 28 CO 0.15 -1.14 0.61 1.52 0.16 0.00 0.00 175.35 176.66 2klx s TYR 29 N 0.89 3.82 -0.23 4.03 -0.85 -1.26 -4.55 117.35 119.19 2klx s TYR 29 Ca 0.10 1.34 -0.12 0.00 -0.52 0.00 0.00 57.07 57.87 2klx s TYR 29 Cb -0.23 -2.55 -0.05 0.00 0.38 0.00 0.00 41.96 39.51 2klx s TYR 29 CO -0.03 0.56 0.23 0.99 -1.52 0.00 0.00 175.55 175.77 2klx s THR 30 N -1.06 5.31 -0.20 -3.49 2.01 -0.47 -5.00 115.64 112.73 2klx s THR 30 Ca 0.30 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.47 2klx s THR 30 Cb -0.20 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2klx s THR 30 CO 0.20 0.31 0.37 1.51 -0.69 0.00 0.00 174.62 176.32 2klx s ASP 31 N 1.12 6.41 -0.24 3.53 -4.77 -1.26 -0.73 116.67 120.72 2klx s ASP 31 Ca 0.10 0.48 -0.06 0.00 -3.30 0.00 0.00 52.55 49.77 2klx s ASP 31 Cb -0.14 -2.22 -0.02 0.00 -1.09 0.00 0.00 42.92 39.45 2klx s ASP 31 CO 0.06 -0.05 0.04 -0.63 0.70 0.00 0.00 175.17 175.29 2klx s ILE 32 N 1.21 4.11 0.45 2.11 -1.09 0.27 -4.95 121.20 123.31 2klx s ILE 32 Ca 0.18 -0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 2klx s ILE 32 Cb -0.14 -2.91 -0.08 0.00 -1.58 0.00 0.00 42.46 37.75 2klx s ILE 32 CO 0.07 0.37 1.41 -1.81 -1.23 0.00 0.00 174.94 173.75 2klx s ASP 33 N 1.47 5.89 0.66 3.58 1.01 -1.25 -1.62 116.67 126.41 2klx s ASP 33 Ca 0.05 2.87 0.40 0.00 0.71 0.00 0.00 52.55 56.59 2klx s ASP 33 Cb -0.15 -2.65 2.19 0.00 1.01 0.00 0.00 42.92 43.32 2klx s ASP 33 CO 0.02 -1.16 2.23 0.00 0.21 0.00 0.00 175.17 176.48 2klx h ALA 34 N 2.31 1.09 -1.49 5.23 0.00 -1.07 -3.38 119.26 121.94 2klx h ALA 34 Ca -0.51 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.68 2klx h ALA 34 Cb 1.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2klx h ALA 34 CO 0.61 -0.09 1.01 0.43 0.00 0.00 0.00 179.25 181.21 2klx n SER 35 N -3.00 2.43 0.28 0.00 7.64 -1.26 -4.75 113.62 114.96 2klx n SER 35 Ca -0.03 0.97 0.14 0.00 1.01 0.00 0.00 58.87 60.96 2klx n SER 35 Cb 0.15 -1.17 0.81 0.00 -1.01 0.00 0.00 64.21 62.99 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 5.57 0.46 -1.03 0.44 1.35 -1.94 0.24 112.91 118.00 2klx h THR 36 Ca -0.43 -0.38 0.29 0.00 -0.55 0.00 0.00 66.41 65.34 2klx h THR 36 Cb 1.32 1.26 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 2klx h THR 36 CO 0.97 0.08 0.72 0.28 -0.25 0.00 0.00 175.52 177.32 2klx h SER 37 N 0.00 0.12 0.00 5.36 0.02 -1.94 -0.87 113.55 116.23 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 0.25 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2klx h SER 37 CO 0.01 0.03 -0.79 0.18 -1.14 0.00 0.00 176.83 175.12 2klx n LEU 38 N -4.32 1.29 -0.34 5.07 4.77 -0.98 -4.67 117.00 117.82 2klx n LEU 38 Ca 0.22 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 2klx n LEU 38 Cb 1.03 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 42.20 2klx n LEU 38 CO 0.36 0.21 1.17 -0.09 -1.33 0.00 0.00 177.39 177.72 2klx h ARG 39 N 0.00 1.26 -0.86 3.23 1.12 -0.50 -1.53 114.38 117.10 2klx h ARG 39 Ca 0.00 -0.15 -0.02 0.00 -1.11 0.00 0.00 59.98 58.70 2klx h ARG 39 Cb 0.79 -0.25 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 2klx h ARG 39 CO 0.00 0.93 0.48 0.37 -3.11 0.00 0.00 179.97 178.63 2klx h GLN 40 N 1.27 1.20 -0.02 0.20 5.75 -1.33 0.25 115.11 122.43 2klx h GLN 40 Ca 0.32 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2klx h GLN 40 Cb 0.03 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.35 2klx h GLN 40 CO -0.05 0.87 -0.00 0.93 -2.65 0.00 0.00 178.83 177.93 2klx h GLU 41 N 1.20 0.03 0.18 1.69 4.39 -1.61 -0.20 114.58 120.27 2klx h GLU 41 Ca 0.30 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2klx h GLU 41 Cb 0.02 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2klx h GLU 41 CO -0.05 0.39 -0.09 0.52 -1.16 0.00 0.00 179.01 178.62 2klx h MET 42 N -0.32 -0.23 -0.17 2.33 2.86 -1.14 -1.53 114.93 116.72 2klx h MET 42 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2klx h MET 42 Cb 0.37 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2klx h MET 42 CO 0.00 -0.04 0.11 -0.24 1.06 0.00 0.00 176.91 177.80 2klx h VAL 43 N -0.39 1.05 0.02 -2.22 3.04 -0.56 0.24 116.25 117.43 2klx h VAL 43 Ca -0.02 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2klx h VAL 43 Cb 0.31 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2klx h VAL 43 CO 0.04 0.05 -0.01 -0.61 -1.01 0.00 0.00 177.57 176.03 2klx h GLN 44 N 0.23 -0.03 0.00 4.17 4.15 -0.74 -1.25 115.11 121.65 2klx h GLN 44 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2klx h GLN 44 Cb -0.01 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2klx h GLN 44 CO -0.01 0.38 0.00 -2.13 -1.93 0.00 0.00 178.83 175.14 2klx n ARG 45 N -4.91 0.02 0.04 1.69 0.63 -0.60 0.80 116.66 114.33 2klx n ARG 45 Ca -0.08 0.06 -0.22 0.00 -0.92 0.00 0.00 57.85 56.68 2klx n ARG 45 Cb 0.22 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.49 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 2.91 0.23 0.00 5.13 0.00 -0.37 -3.44 119.26 123.71 2klx h ALA 46 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2klx h ALA 46 Cb 0.43 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2klx h ALA 46 CO 0.00 1.04 -0.52 0.27 0.00 0.00 0.00 179.25 180.04 2klx n ASN 47 N -3.67 2.11 -0.28 0.00 6.94 -0.49 -5.01 115.26 114.87 2klx n ASN 47 Ca -0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.26 2klx n ASN 47 Cb 1.02 0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 38.45 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 2.48 0.39 0.00 4.83 0.00 0.24 -4.91 105.19 108.22 2klx n GLY 48 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.18 2klx n GLY 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2klx n ARG 49 N -1.94 3.72 -2.93 1.61 0.63 -1.26 -5.05 116.66 111.44 2klx n ARG 49 Ca -0.03 -0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2klx n ARG 49 Cb 0.35 -0.76 0.00 0.00 0.45 0.00 0.00 32.46 32.50 2klx n ARG 49 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2klx n ASN 50 N -1.25 -7.40 -1.10 6.15 3.02 -1.26 -5.04 115.26 108.38 2klx n ASN 50 Ca 0.00 0.98 -0.01 0.00 -0.03 0.00 0.00 54.58 55.52 2klx n ASN 50 Cb 0.02 -3.69 -0.00 0.00 -0.61 0.00 0.00 39.78 35.50 2klx n ASN 50 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2klx n THR 51 N 0.95 0.00 -0.68 3.41 -1.04 -1.26 -5.15 114.28 110.52 2klx n THR 51 Ca 0.00 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.64 2klx n THR 51 Cb 0.22 0.03 0.17 0.00 -1.82 0.00 0.00 70.33 68.93 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 -2.00 1.58 0.69 -1.42 0.08 -1.26 -4.98 117.98 110.68 2klx s PHE 52 Ca 0.01 1.81 -0.14 0.00 0.12 0.00 0.00 56.93 58.73 2klx s PHE 52 Cb 0.00 -3.36 0.02 0.00 -0.57 0.00 0.00 43.02 39.11 2klx s PHE 52 CO 0.01 -2.85 1.11 -1.25 -0.10 0.00 0.00 175.22 172.13 2klx s PRO 53 N -4.64 2.65 0.14 0.24 0.04 -1.26 -5.05 135.00 127.11 2klx s PRO 53 Ca 0.67 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 2klx s PRO 53 Cb -0.23 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.45 2klx s PRO 53 CO 0.58 -1.36 1.01 0.00 0.04 0.00 0.00 177.00 177.27 2klx n GLN 54 N -2.72 0.53 -3.33 4.56 0.00 -1.13 -4.84 117.38 110.45 2klx n GLN 54 Ca 0.10 -1.26 -0.39 0.00 0.00 0.00 0.00 57.00 55.44 2klx n GLN 54 Cb 0.52 1.75 -0.08 0.00 0.00 0.00 0.00 30.24 32.43 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 -2.08 5.14 0.20 -0.39 1.09 -1.26 -0.87 121.20 123.03 2klx s ILE 55 Ca 0.23 0.70 -0.04 0.00 -1.10 0.00 0.00 60.65 60.44 2klx s ILE 55 Cb -0.02 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.58 2klx s ILE 55 CO 0.04 0.14 0.43 0.12 -0.10 0.00 0.00 174.94 175.57 2klx s PHE 56 N 2.07 3.47 -0.26 3.97 2.19 0.16 -0.12 117.98 129.46 2klx s PHE 56 Ca 0.18 0.53 -0.01 0.00 0.33 0.00 0.00 56.93 57.95 2klx s PHE 56 Cb -0.16 -1.99 0.13 0.00 -1.31 0.00 0.00 43.02 39.69 2klx s PHE 56 CO 0.09 0.35 0.33 0.96 1.83 0.00 0.00 175.22 178.79 2klx s ILE 57 N -1.82 -0.49 0.00 3.12 -4.36 0.68 -1.37 121.20 116.95 2klx s ILE 57 Ca 0.41 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 2klx s ILE 57 Cb -0.11 -0.88 0.00 0.00 1.25 0.00 0.00 42.46 42.72 2klx s ILE 57 CO 0.27 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.78 2klx n GLY 58 N 5.34 0.87 0.48 6.27 0.00 0.11 -1.40 105.19 116.87 2klx n GLY 58 Ca -0.03 0.49 0.01 0.00 0.00 0.00 0.00 46.02 46.50 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 3.54 0.26 -4.14 1.61 2.03 -1.26 -4.87 116.55 113.72 2klx n ASP 59 Ca 0.00 -2.11 -0.18 0.00 0.52 0.00 0.00 54.79 53.02 2klx n ASP 59 Cb 0.00 -0.23 -0.12 0.00 -0.72 0.00 0.00 41.12 40.05 2klx n ASP 59 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2klx s TYR 60 N -0.29 1.10 -0.27 -0.67 5.04 -0.49 -5.11 117.35 116.65 2klx s TYR 60 Ca 0.04 -0.44 -0.05 0.00 -2.44 0.00 0.00 57.07 54.18 2klx s TYR 60 Cb 0.04 -0.63 0.01 0.00 0.35 0.00 0.00 41.96 41.73 2klx s TYR 60 CO -0.00 0.03 0.02 -3.38 -1.34 0.00 0.00 175.55 170.88 2klx s HIS 61 N -1.20 3.11 0.00 4.97 -3.43 -1.26 -0.23 115.29 117.24 2klx s HIS 61 Ca -0.03 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.07 2klx s HIS 61 Cb -0.09 -2.18 0.00 0.00 -1.43 0.00 0.00 32.58 28.88 2klx s HIS 61 CO 0.02 -0.62 0.83 0.28 -2.00 0.00 0.00 174.74 173.25 2klx n VAL 62 N 4.79 0.00 0.00 -5.38 0.31 0.83 -4.97 118.33 113.92 2klx n VAL 62 Ca -0.15 1.33 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 2klx n VAL 62 Cb 0.48 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 -0.88 2.24 3.70 2.92 0.00 -1.26 -4.96 105.19 106.95 2klx n GLY 63 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.22 0.29 -0.00 -0.02 0.00 -1.26 -4.69 107.32 101.42 2klx s GLY 64 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 2klx s GLY 64 CO 0.00 -0.41 0.70 0.00 0.00 0.00 0.00 173.10 173.39 2klx h ASP 66 N -0.40 0.00 -0.01 0.00 3.32 -1.98 -2.22 116.42 115.12 2klx h ASP 66 Ca -0.03 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2klx h ASP 66 Cb 0.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 2klx h ASP 66 CO 0.04 0.00 -0.31 0.44 -1.72 0.00 0.00 179.24 177.69 2klx h ASP 67 N 0.00 -0.94 -0.87 6.45 5.19 -1.96 0.12 116.42 124.41 2klx h ASP 67 Ca 0.15 0.13 0.15 0.00 -0.62 0.00 0.00 57.03 56.83 2klx h ASP 67 Cb 0.78 0.38 -0.07 0.00 0.18 0.00 0.00 39.33 40.60 2klx h ASP 67 CO -0.00 -0.38 0.56 0.17 -3.12 0.00 0.00 179.24 176.48 2klx h LEU 68 N -0.46 0.58 0.16 1.55 8.10 -1.42 0.05 115.31 123.87 2klx h LEU 68 Ca 0.06 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.08 2klx h LEU 68 Cb 0.55 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 2klx h LEU 68 CO -0.27 0.28 -0.08 1.88 -4.11 0.00 0.00 178.44 176.15 2klx h TYR 69 N 0.60 -0.19 -0.12 0.17 -1.99 -1.26 -1.00 116.97 113.18 2klx h TYR 69 Ca 0.44 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.20 2klx h TYR 69 Cb 0.80 0.06 -0.04 0.00 2.00 0.00 0.00 36.73 39.56 2klx h TYR 69 CO -0.00 0.20 -0.11 0.00 -0.00 0.00 0.00 178.16 178.25 2klx h ALA 70 N 0.06 -0.03 -0.33 3.88 0.00 -0.15 -0.77 119.26 121.92 2klx h ALA 70 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2klx h ALA 70 Cb 0.48 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2klx h ALA 70 CO 0.04 -0.57 0.22 -0.07 0.00 0.00 0.00 179.25 178.86 2klx h LEU 71 N -0.14 0.37 -1.03 0.00 3.38 -1.08 0.31 115.31 117.13 2klx h LEU 71 Ca 0.08 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2klx h LEU 71 Cb 0.25 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 2klx h LEU 71 CO -0.20 0.27 0.64 -0.08 0.09 0.00 0.00 178.44 179.16 2klx h GLU 72 N 0.44 1.03 0.00 1.13 4.22 -0.79 0.36 114.58 120.97 2klx h GLU 72 Ca 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 2klx h GLU 72 Cb -0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 2klx h GLU 72 CO -0.03 0.68 -0.23 -0.97 -2.18 0.00 0.00 179.01 176.28 2klx h ASN 73 N 1.06 0.00 1.63 1.04 -0.73 -0.63 -3.11 115.58 114.84 2klx h ASN 73 Ca 0.47 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.59 2klx h ASN 73 Cb 0.36 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 2klx h ASN 73 CO -0.22 0.06 -0.23 0.11 -0.37 0.00 0.00 177.43 176.78 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.15 -3.47 116.57 126.49 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 1.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 2klx h LYS 74 CO 0.01 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.03 2klx n GLY 75 N 1.00 -0.13 0.10 3.86 0.00 -0.30 -4.99 105.19 104.72 2klx n GLY 75 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 1.13 -0.34 1.61 4.76 0.11 -3.95 118.16 121.48 2klx n LYS 76 Ca 0.00 -0.19 0.13 0.00 -2.87 0.00 0.00 58.31 55.38 2klx n LYS 76 Cb 0.00 -1.42 0.34 0.00 -1.84 0.00 0.00 35.03 32.11 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2klx h LEU 77 N 0.43 0.75 -0.38 -0.35 5.85 -1.66 -0.61 115.31 119.34 2klx h LEU 77 Ca 0.00 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2klx h LEU 77 Cb 0.09 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2klx h LEU 77 CO 0.00 0.28 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.55 2klx h ASP 78 N 0.74 -0.24 -0.05 1.25 3.58 -1.89 0.29 116.42 120.10 2klx h ASP 78 Ca 0.57 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 58.10 2klx h ASP 78 Cb 0.92 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 2klx h ASP 78 CO -0.35 -0.08 -0.02 -1.28 -2.88 0.00 0.00 179.24 174.62 2klx h SER 79 N 0.06 0.10 -0.82 2.28 0.87 -1.47 -0.04 113.55 114.53 2klx h SER 79 Ca 0.18 -0.41 0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2klx h SER 79 Cb 0.27 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.13 2klx h SER 79 CO -0.35 0.49 0.46 -0.07 -0.53 0.00 0.00 176.83 176.83 2klx h LEU 80 N -0.29 0.63 -0.19 2.23 -0.00 -0.86 0.11 115.31 116.93 2klx h LEU 80 Ca 0.01 0.06 -0.17 0.00 -0.00 0.00 0.00 57.88 57.78 2klx h LEU 80 Cb 0.45 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2klx h LEU 80 CO 0.01 0.34 -0.55 -0.07 -0.00 0.00 0.00 178.44 178.17 2klx h LEU 81 N 0.74 0.82 -1.94 1.67 4.07 -0.39 -1.23 115.31 119.05 2klx h LEU 81 Ca 0.41 -0.58 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 2klx h LEU 81 Cb 0.43 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 2klx h LEU 81 CO -0.28 1.25 -0.11 -0.61 -1.08 0.00 0.00 178.44 177.62 2klx h GLN 82 N 0.42 0.00 0.00 1.13 4.15 -0.19 0.22 115.11 120.84 2klx h GLN 82 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2klx h GLN 82 Cb 1.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2klx h GLN 82 CO 0.12 0.11 -0.38 -0.44 -1.93 0.00 0.00 178.83 176.31 2klx h ASP 83 N 0.00 0.00 -0.09 -0.69 3.32 -0.71 -3.36 116.42 114.89 2klx h ASP 83 Ca -0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 2klx h ASP 83 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2klx h ASP 83 CO 0.01 0.97 -0.01 -0.37 -1.72 0.00 0.00 179.24 178.12 2klx h VAL 84 N -1.00 1.13 0.00 -1.35 -1.51 -1.15 -1.84 116.25 110.53 2klx h VAL 84 Ca -0.09 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2klx h VAL 84 Cb 0.77 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2klx h VAL 84 CO -0.05 0.17 0.00 1.57 -1.23 0.00 0.00 177.57 178.03