#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 -2.31 0.00 1.61 -0.04 -1.26 -5.10 135.00 127.90 2klx n PRO -2 Ca 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 2klx n PRO -2 Cb 0.00 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2klx n PRO -2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2klx n GLY -1 N -1.93 5.31 3.28 0.55 0.00 -1.26 -5.18 105.19 105.96 2klx n GLY -1 Ca 0.09 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 1.00 -0.18 -0.35 1.61 0.15 -1.26 -5.13 113.70 109.53 2klx s SER 0 Ca 0.00 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2klx s SER 0 Cb 0.00 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.82 2klx s SER 0 CO 0.00 -0.68 0.16 -0.04 1.20 0.00 0.00 173.24 173.89 2klx s MET 1 N -2.80 0.80 0.33 5.44 -1.94 -1.25 -4.94 119.30 114.94 2klx s MET 1 Ca -0.03 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.63 2klx s MET 1 Cb -0.00 -1.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.93 2klx s MET 1 CO -0.05 -1.08 0.38 0.15 -0.01 0.00 0.00 175.02 174.41 2klx s LYS 2 N 1.21 1.81 0.01 2.03 -0.14 -0.66 -5.06 119.74 118.94 2klx s LYS 2 Ca 0.13 -1.85 -0.02 0.00 -1.36 0.00 0.00 55.97 52.87 2klx s LYS 2 Cb -0.20 0.39 -0.01 0.00 -1.68 0.00 0.00 37.83 36.33 2klx s LYS 2 CO -0.14 -0.71 0.03 -1.83 -0.76 0.00 0.00 175.35 171.93 2klx s GLU 3 N -3.27 0.28 -0.05 1.68 -1.05 -0.64 -4.56 118.70 111.09 2klx s GLU 3 Ca 0.35 -0.38 0.06 0.00 -0.15 0.00 0.00 54.97 54.85 2klx s GLU 3 Cb 0.01 0.11 -0.01 0.00 -0.44 0.00 0.00 34.13 33.79 2klx s GLU 3 CO 0.23 -0.05 -0.24 -1.50 0.95 0.00 0.00 175.26 174.65 2klx s ILE 4 N -1.03 2.20 0.06 1.83 -1.16 -1.25 -1.42 121.20 120.43 2klx s ILE 4 Ca -0.11 -1.03 0.03 0.00 -0.51 0.00 0.00 60.65 59.03 2klx s ILE 4 Cb -0.07 -1.80 -0.03 0.00 0.61 0.00 0.00 42.46 41.18 2klx s ILE 4 CO -0.00 0.57 -0.09 -0.63 -2.81 0.00 0.00 174.94 171.98 2klx s ILE 5 N -0.32 0.72 -0.20 2.00 1.01 0.10 -1.58 121.20 122.93 2klx s ILE 5 Ca 0.01 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.44 2klx s ILE 5 Cb -0.13 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.55 2klx s ILE 5 CO 0.02 -0.39 -0.10 -1.48 0.00 0.00 0.00 174.94 172.99 2klx s LEU 6 N -1.77 2.25 -0.42 2.97 2.34 -0.16 0.17 118.68 124.05 2klx s LEU 6 Ca -0.06 -0.87 -0.16 0.00 0.06 0.00 0.00 54.13 53.11 2klx s LEU 6 Cb -0.09 -1.22 0.03 0.00 -0.56 0.00 0.00 46.19 44.35 2klx s LEU 6 CO 0.01 -0.14 0.34 -0.31 -1.06 0.00 0.00 176.35 175.19 2klx s TYR 7 N 1.40 3.23 0.03 3.48 2.02 -0.01 -0.56 117.35 126.94 2klx s TYR 7 Ca -0.01 -0.61 -0.27 0.00 -0.37 0.00 0.00 57.07 55.81 2klx s TYR 7 Cb -0.16 -2.75 0.09 0.00 -0.40 0.00 0.00 41.96 38.74 2klx s TYR 7 CO -0.08 -0.65 1.23 0.25 -1.57 0.00 0.00 175.55 174.73 2klx n THR 8 N 5.22 0.00 -3.01 -0.71 -2.24 -0.65 -1.01 114.28 111.88 2klx n THR 8 Ca -0.11 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 2klx n THR 8 Cb 0.46 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.02 3.68 0.97 -0.78 1.70 -1.26 -0.13 118.95 121.10 2klx s ARG 9 Ca 0.29 0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.65 2klx s ARG 9 Cb -0.01 -2.49 0.17 0.00 -0.57 0.00 0.00 34.95 32.05 2klx s ARG 9 CO 0.01 0.03 1.09 -1.25 -1.08 0.00 0.00 175.30 174.10 2klx s PRO 10 N -3.90 0.69 -1.71 3.89 0.04 -1.26 -3.66 135.00 129.08 2klx s PRO 10 Ca 0.48 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2klx s PRO 10 Cb -0.10 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2klx s PRO 10 CO 0.33 -2.58 0.00 0.09 0.04 0.00 0.00 177.00 174.88 2klx n ASN 11 N -4.09 -5.10 -4.65 6.66 3.02 -1.26 -4.94 115.26 104.89 2klx n ASN 11 Ca 0.06 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 2klx n ASN 11 Cb 0.57 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 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 7.56 0.56 -0.89 0.00 0.13 -1.93 -3.13 132.00 134.29 2klx h PRO 13 Ca -0.21 -0.29 0.18 0.00 -0.87 0.00 0.00 66.00 64.81 2klx h PRO 13 Cb 1.08 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 2klx h PRO 13 CO 0.92 0.88 0.58 1.88 -0.23 0.00 0.00 178.00 182.04 2klx h TYR 14 N 0.25 0.62 -0.22 1.56 -1.99 -2.00 0.27 116.97 115.46 2klx h TYR 14 Ca 0.04 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.85 2klx h TYR 14 Cb 0.78 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 2klx h TYR 14 CO 0.08 0.19 0.26 0.00 -0.00 0.00 0.00 178.16 178.68 2klx h LYS 16 N 0.00 0.52 0.32 0.00 1.57 -0.60 0.30 116.57 118.69 2klx h LYS 16 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2klx h LYS 16 Cb 0.62 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2klx h LYS 16 CO -0.00 0.35 -0.16 0.00 -0.57 0.00 0.00 179.45 179.07 2klx h ARG 17 N 0.54 -0.42 0.70 3.15 3.08 -1.48 -0.47 114.38 119.48 2klx h ARG 17 Ca 0.56 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.61 2klx h ARG 17 Cb 0.99 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2klx h ARG 17 CO -0.46 -0.16 -0.37 0.00 -1.07 0.00 0.00 179.97 177.90 2klx h ALA 18 N -0.02 -1.00 -0.87 0.04 0.00 -1.41 -0.42 119.26 115.58 2klx h ALA 18 Ca -0.04 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.83 2klx h ALA 18 Cb 0.45 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2klx h ALA 18 CO 0.07 -1.07 0.57 0.07 0.00 0.00 0.00 179.25 178.90 2klx h ARG 19 N -0.99 0.47 -0.28 0.00 0.11 -0.51 0.80 114.38 113.97 2klx h ARG 19 Ca -0.09 -0.03 -0.15 0.00 0.10 0.00 0.00 59.98 59.81 2klx h ARG 19 Cb 0.78 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 2klx h ARG 19 CO 0.13 0.31 -0.43 0.22 0.10 0.00 0.00 179.97 180.30 2klx h ASP 20 N 0.48 0.77 0.33 0.08 3.58 -0.67 -0.40 116.42 120.60 2klx h ASP 20 Ca 0.45 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2klx h ASP 20 Cb 0.99 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2klx h ASP 20 CO -0.18 1.10 -0.16 0.25 -2.88 0.00 0.00 179.24 177.37 2klx h LEU 21 N 0.58 -0.38 -0.32 2.28 6.46 0.85 0.13 115.31 124.91 2klx h LEU 21 Ca 0.04 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2klx h LEU 21 Cb 0.98 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 2klx h LEU 21 CO 0.09 -0.13 0.07 -0.07 -0.62 0.00 0.00 178.44 177.78 2klx h LEU 22 N -0.62 0.49 -1.62 2.25 -0.00 -1.39 -0.72 115.31 113.70 2klx h LEU 22 Ca -0.05 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.58 2klx h LEU 22 Cb 0.45 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2klx h LEU 22 CO 0.07 0.60 0.04 -0.78 -0.00 0.00 0.00 178.44 178.38 2klx h ASP 23 N 0.35 0.25 0.30 -0.43 1.82 -1.06 -0.38 116.42 117.27 2klx h ASP 23 Ca 0.10 -0.02 -0.24 0.00 -0.39 0.00 0.00 57.03 56.48 2klx h ASP 23 Cb 0.31 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.26 2klx h ASP 23 CO 0.00 0.27 -0.99 0.11 -1.61 0.00 0.00 179.24 177.02 2klx h LYS 24 N 0.28 0.45 -0.07 0.28 1.79 -0.41 -3.23 116.57 115.66 2klx h LYS 24 Ca 0.07 -0.50 -0.14 0.00 -2.18 0.00 0.00 60.65 57.90 2klx h LYS 24 Cb 0.12 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2klx h LYS 24 CO -0.00 1.16 -0.57 0.87 -1.08 0.00 0.00 179.45 179.82 2klx h LYS 25 N 0.25 0.21 -0.34 3.15 6.56 -0.54 -3.48 116.57 122.38 2klx h LYS 25 Ca -0.09 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 2klx h LYS 25 Cb 1.63 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.31 2klx h LYS 25 CO 0.17 0.73 0.00 0.41 -2.06 0.00 0.00 179.45 178.70 2klx n GLY 26 N 0.19 0.53 3.55 3.86 0.00 -0.21 -5.10 105.19 108.02 2klx n GLY 26 Ca -0.02 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.43 0.95 -0.35 1.61 -7.23 -1.05 -5.05 120.40 107.85 2klx s VAL 27 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2klx s VAL 27 Cb 0.00 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.51 2klx s VAL 27 CO 0.00 0.00 0.12 -0.54 -0.31 0.00 0.00 175.10 174.37 2klx s LYS 28 N -3.79 2.56 -0.01 4.82 3.01 -1.26 -4.67 119.74 120.39 2klx s LYS 28 Ca 0.25 -1.26 -0.02 0.00 -1.01 0.00 0.00 55.97 53.92 2klx s LYS 28 Cb 0.05 -3.47 -0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2klx s LYS 28 CO 0.13 -0.72 0.14 1.52 0.51 0.00 0.00 175.35 176.93 2klx s TYR 29 N 1.37 3.45 -0.19 3.18 -0.85 -1.26 -4.42 117.35 118.63 2klx s TYR 29 Ca -0.01 0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 56.78 2klx s TYR 29 Cb -0.20 -1.80 -0.04 0.00 0.38 0.00 0.00 41.96 40.31 2klx s TYR 29 CO 0.02 0.61 0.04 0.99 -1.52 0.00 0.00 175.55 175.69 2klx s THR 30 N -1.27 4.52 0.01 -3.49 2.01 -0.61 -5.01 115.64 111.79 2klx s THR 30 Ca 0.25 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2klx s THR 30 Cb -0.12 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 2klx s THR 30 CO 0.16 0.45 0.49 -0.62 -0.69 0.00 0.00 174.62 174.41 2klx s ASP 31 N 0.56 6.89 -0.13 3.53 2.15 -1.26 -0.99 116.67 127.42 2klx s ASP 31 Ca 0.02 1.06 0.01 0.00 0.43 0.00 0.00 52.55 54.06 2klx s ASP 31 Cb -0.13 -2.30 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2klx s ASP 31 CO 0.02 0.24 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.49 2klx s ILE 32 N -0.77 1.47 0.45 4.11 -1.09 0.28 -4.92 121.20 120.73 2klx s ILE 32 Ca 0.26 -0.59 -0.25 0.00 -2.23 0.00 0.00 60.65 57.84 2klx s ILE 32 Cb -0.18 -1.37 -0.08 0.00 -1.58 0.00 0.00 42.46 39.25 2klx s ILE 32 CO 0.15 0.44 1.41 0.47 -1.23 0.00 0.00 174.94 176.18 2klx n ASP 33 N 4.54 3.18 0.23 3.58 9.92 -1.25 -1.63 116.55 135.12 2klx n ASP 33 Ca -0.17 1.11 0.16 0.00 -0.53 0.00 0.00 54.79 55.36 2klx n ASP 33 Cb 0.51 -1.59 0.78 0.00 -0.64 0.00 0.00 41.12 40.18 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 2.23 1.00 -0.91 2.24 0.00 -0.87 -3.38 119.26 119.58 2klx h ALA 34 Ca -0.50 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 2klx h ALA 34 Cb 1.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2klx h ALA 34 CO 0.61 0.00 1.55 0.43 0.00 0.00 0.00 179.25 181.84 2klx n SER 35 N -2.60 1.68 0.00 0.00 7.64 -1.26 -4.74 113.62 114.35 2klx n SER 35 Ca -0.01 0.14 0.23 0.00 1.01 0.00 0.00 58.87 60.23 2klx n SER 35 Cb 0.10 -1.25 0.73 0.00 -1.01 0.00 0.00 64.21 62.78 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 7.46 0.46 -1.03 0.44 1.35 -1.94 0.30 112.91 119.96 2klx h THR 36 Ca -0.20 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 65.94 2klx h THR 36 Cb 1.31 0.62 -0.05 0.00 -1.73 0.00 0.00 68.15 68.30 2klx h THR 36 CO 1.15 0.00 0.72 0.28 -0.25 0.00 0.00 175.52 177.41 2klx h SER 37 N 0.00 0.12 0.00 5.36 0.02 -1.95 -0.33 113.55 116.77 2klx h SER 37 Ca 0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2klx h SER 37 Cb 1.27 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2klx h SER 37 CO -0.00 0.03 -0.91 0.18 -1.14 0.00 0.00 176.83 174.99 2klx n LEU 38 N -4.33 1.00 -0.11 5.07 4.77 -0.07 -4.62 117.00 118.72 2klx n LEU 38 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2klx n LEU 38 Cb 1.02 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.09 2klx n LEU 38 CO 0.36 0.17 0.87 -0.09 -1.33 0.00 0.00 177.39 177.37 2klx h ARG 39 N 0.00 0.50 -0.94 3.23 2.43 -0.39 -1.09 114.38 118.11 2klx h ARG 39 Ca 0.00 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2klx h ARG 39 Cb 0.91 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.32 2klx h ARG 39 CO 0.00 0.53 0.61 0.37 -1.51 0.00 0.00 179.97 179.97 2klx h GLN 40 N 0.37 1.13 -0.12 0.20 -0.00 -1.25 0.18 115.11 115.63 2klx h GLN 40 Ca 0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 2klx h GLN 40 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 27.48 27.45 2klx h GLN 40 CO -0.00 0.75 -0.04 0.93 0.00 0.00 0.00 178.83 180.46 2klx h GLU 41 N 1.17 0.25 0.21 1.69 5.08 -1.64 0.02 114.58 121.36 2klx h GLU 41 Ca 0.39 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2klx h GLU 41 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2klx h GLU 41 CO -0.14 0.56 -0.10 0.52 -1.00 0.00 0.00 179.01 178.86 2klx h MET 42 N -0.08 -0.27 -0.35 2.33 2.86 -0.85 -1.43 114.93 117.13 2klx h MET 42 Ca 0.03 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2klx h MET 42 Cb 0.48 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2klx h MET 42 CO 0.01 -0.12 0.12 -0.24 1.06 0.00 0.00 176.91 177.75 2klx h VAL 43 N -0.37 1.15 0.12 -2.22 3.04 -0.70 0.27 116.25 117.54 2klx h VAL 43 Ca -0.03 -0.47 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 2klx h VAL 43 Cb 0.29 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2klx h VAL 43 CO 0.05 0.18 -0.06 -0.61 -1.01 0.00 0.00 177.57 176.12 2klx h GLN 44 N 0.49 -0.16 0.00 4.17 4.15 -0.70 -1.49 115.11 121.58 2klx h GLN 44 Ca 0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2klx h GLN 44 Cb 0.13 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2klx h GLN 44 CO -0.01 0.08 0.00 -2.13 -1.93 0.00 0.00 178.83 174.84 2klx n ARG 45 N -5.06 0.03 0.09 1.69 3.00 -0.56 0.70 116.66 116.55 2klx n ARG 45 Ca -0.09 0.06 -0.23 0.00 -0.00 0.00 0.00 57.85 57.60 2klx n ARG 45 Cb 0.17 -1.54 -0.15 0.00 0.00 0.00 0.00 32.46 30.94 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx h ALA 46 N 2.87 -0.06 0.00 5.13 0.00 -0.18 -3.43 119.26 123.59 2klx h ALA 46 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2klx h ALA 46 Cb 0.50 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2klx h ALA 46 CO 0.00 0.65 -0.47 0.27 0.00 0.00 0.00 179.25 179.70 2klx n ASN 47 N -3.86 1.95 0.00 0.00 6.94 -0.59 -4.89 115.26 114.82 2klx n ASN 47 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 2klx n ASN 47 Cb 0.99 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 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 2.33 2.03 3.56 4.83 0.00 0.22 -5.04 105.19 113.13 2klx n GLY 48 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 2klx n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2klx s ARG 49 N 0.00 0.62 -0.23 1.61 1.70 -1.24 -4.57 118.95 116.85 2klx s ARG 49 Ca 0.00 -0.25 -0.34 0.00 -0.47 0.00 0.00 55.73 54.67 2klx s ARG 49 Cb 0.00 0.27 0.15 0.00 -0.57 0.00 0.00 34.95 34.81 2klx s ARG 49 CO 0.00 -0.28 1.25 1.21 -1.08 0.00 0.00 175.30 176.41 2klx s ASN 50 N -2.43 -0.11 -0.00 -2.89 3.84 -1.26 -4.78 114.94 107.30 2klx s ASN 50 Ca 0.08 0.04 0.01 0.00 0.21 0.00 0.00 52.86 53.20 2klx s ASN 50 Cb -0.01 0.11 0.01 0.00 -0.55 0.00 0.00 41.25 40.81 2klx s ASN 50 CO -0.06 -0.16 0.88 0.35 -2.79 0.00 0.00 177.10 175.32 2klx n THR 51 N 0.13 0.06 -3.71 -5.21 -2.24 -1.26 -4.90 114.28 97.15 2klx n THR 51 Ca 0.00 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2klx n THR 51 Cb 0.58 0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 2klx n THR 51 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2klx s PHE 52 N -0.09 -0.21 0.65 4.78 0.40 -1.26 -5.16 117.98 117.08 2klx s PHE 52 Ca 0.01 0.22 -0.15 0.00 -0.60 0.00 0.00 56.93 56.41 2klx s PHE 52 Cb 0.01 0.15 -0.01 0.00 0.51 0.00 0.00 43.02 43.68 2klx s PHE 52 CO 0.00 -0.49 1.11 -1.25 0.70 0.00 0.00 175.22 175.29 2klx s PRO 53 N -2.02 2.85 0.03 0.24 0.04 -1.26 -5.04 135.00 129.83 2klx s PRO 53 Ca -0.08 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 2klx s PRO 53 Cb -0.02 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2klx s PRO 53 CO 0.00 -1.21 1.23 1.14 0.04 0.00 0.00 177.00 178.20 2klx s GLN 54 N -4.02 0.60 -0.16 4.56 1.03 -0.18 -4.90 119.66 116.59 2klx s GLN 54 Ca 0.67 -0.38 -0.07 0.00 0.04 0.00 0.00 55.36 55.62 2klx s GLN 54 Cb -0.21 0.17 -0.04 0.00 0.03 0.00 0.00 33.01 32.96 2klx s GLN 54 CO 0.40 -0.28 0.10 0.42 -2.54 0.00 0.00 175.29 173.39 2klx s ILE 55 N -2.09 5.17 -0.09 3.63 1.09 -0.88 -0.83 121.20 127.20 2klx s ILE 55 Ca 0.26 0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 59.90 2klx s ILE 55 Cb -0.01 -3.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.07 2klx s ILE 55 CO 0.00 0.52 -0.05 0.12 -0.10 0.00 0.00 174.94 175.44 2klx s PHE 56 N -0.24 2.99 -0.14 3.97 2.19 0.13 -0.74 117.98 126.13 2klx s PHE 56 Ca 0.10 -0.04 -0.07 0.00 0.33 0.00 0.00 56.93 57.25 2klx s PHE 56 Cb -0.12 -1.78 0.05 0.00 -1.31 0.00 0.00 43.02 39.87 2klx s PHE 56 CO 0.01 0.26 0.33 0.96 1.83 0.00 0.00 175.22 178.61 2klx s ILE 57 N -0.54 -0.07 -1.26 3.12 -5.25 -0.51 -0.73 121.20 115.96 2klx s ILE 57 Ca 0.08 0.13 -0.18 0.00 -0.99 0.00 0.00 60.65 59.69 2klx s ILE 57 Cb -0.12 -0.50 0.01 0.00 2.95 0.00 0.00 42.46 44.80 2klx s ILE 57 CO 0.02 0.05 0.60 0.61 -1.79 0.00 0.00 174.94 174.43 2klx n GLY 58 N 4.33 -0.68 3.13 6.27 0.00 -0.50 0.01 105.19 117.74 2klx n GLY 58 Ca -0.23 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.63 -3.57 -3.61 1.61 8.00 -1.26 -4.92 116.55 110.16 2klx n ASP 59 Ca -0.17 -0.23 -0.23 0.00 0.71 0.00 0.00 54.79 54.87 2klx n ASP 59 Cb 0.62 -2.99 -0.17 0.00 -0.02 0.00 0.00 41.12 38.57 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 -2.81 0.08 -0.08 1.24 5.04 0.10 -4.95 117.35 115.97 2klx s TYR 60 Ca 0.30 -0.07 -0.30 0.00 -2.44 0.00 0.00 57.07 54.56 2klx s TYR 60 Cb -0.16 -0.58 -0.03 0.00 0.35 0.00 0.00 41.96 41.54 2klx s TYR 60 CO 0.37 -0.44 1.31 -3.38 -1.34 0.00 0.00 175.55 172.06 2klx s HIS 61 N 2.18 2.90 0.00 4.97 -3.43 -1.26 -1.42 115.29 119.22 2klx s HIS 61 Ca 0.03 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.26 2klx s HIS 61 Cb -0.15 -3.55 0.00 0.00 -1.43 0.00 0.00 32.58 27.45 2klx s HIS 61 CO -0.08 -1.92 0.00 0.28 -2.00 0.00 0.00 174.74 171.02 2klx n VAL 62 N 4.94 0.00 0.00 -5.38 0.31 0.08 -4.98 118.33 113.30 2klx n VAL 62 Ca 0.13 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 2klx n VAL 62 Cb 0.45 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 2.17 -0.61 3.91 2.92 0.00 -1.25 -4.94 105.19 107.40 2klx n GLY 63 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 1.59 0.06 -0.02 0.00 -1.26 -2.08 107.32 105.60 2klx s GLY 64 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 44.72 43.87 2klx s GLY 64 CO 0.00 -0.30 1.54 0.00 0.00 0.00 0.00 173.10 174.34 2klx h ASP 66 N -0.74 0.00 -0.02 0.00 3.58 -1.95 -2.26 116.42 115.03 2klx h ASP 66 Ca -0.07 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.42 2klx h ASP 66 Cb 0.54 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 2klx h ASP 66 CO 0.11 0.00 -0.33 -0.78 -2.88 0.00 0.00 179.24 175.36 2klx h ASP 67 N 0.00 -0.99 -0.76 2.28 1.82 -1.82 0.23 116.42 117.17 2klx h ASP 67 Ca 0.14 0.13 0.10 0.00 -0.39 0.00 0.00 57.03 57.01 2klx h ASP 67 Cb 0.77 0.40 -0.05 0.00 0.68 0.00 0.00 39.33 41.12 2klx h ASP 67 CO -0.00 -0.39 0.50 0.17 -1.61 0.00 0.00 179.24 177.91 2klx h LEU 68 N -0.47 0.61 0.18 2.28 8.10 -1.47 -1.26 115.31 123.27 2klx h LEU 68 Ca 0.06 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 2klx h LEU 68 Cb 0.57 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 2klx h LEU 68 CO -0.28 0.36 -0.09 1.88 -4.11 0.00 0.00 178.44 176.20 2klx h TYR 69 N 0.67 -0.22 -0.21 0.17 -1.99 -1.24 -1.21 116.97 112.93 2klx h TYR 69 Ca 0.35 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.13 2klx h TYR 69 Cb 0.47 0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.21 2klx h TYR 69 CO -0.00 0.15 -0.16 0.00 -0.00 0.00 0.00 178.16 178.15 2klx h ALA 70 N 0.05 -0.01 -0.14 3.88 0.00 -0.15 0.10 119.26 122.98 2klx h ALA 70 Ca -0.02 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2klx h ALA 70 Cb 0.47 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2klx h ALA 70 CO 0.04 -0.58 0.07 -0.07 0.00 0.00 0.00 179.25 178.71 2klx h LEU 71 N -0.16 0.11 -1.73 0.00 3.38 -1.30 0.32 115.31 115.93 2klx h LEU 71 Ca 0.12 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2klx h LEU 71 Cb 0.34 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2klx h LEU 71 CO -0.31 0.09 0.35 -0.08 0.09 0.00 0.00 178.44 178.58 2klx h GLU 72 N 0.15 0.30 0.00 1.13 4.81 -0.74 0.36 114.58 120.60 2klx h GLU 72 Ca 0.05 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2klx h GLU 72 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2klx h GLU 72 CO -0.03 0.20 -0.74 -0.97 -0.73 0.00 0.00 179.01 176.73 2klx h ASN 73 N 0.31 0.00 1.78 1.04 -1.24 -0.24 -3.19 115.58 114.04 2klx h ASN 73 Ca 0.23 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 2klx h ASN 73 Cb 0.52 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2klx h ASN 73 CO -0.05 0.19 -0.22 0.11 -1.29 0.00 0.00 177.43 176.17 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.18 -3.47 116.57 126.51 2klx h LYS 74 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2klx h LYS 74 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2klx h LYS 74 CO 0.02 0.20 0.00 0.41 -2.06 0.00 0.00 179.45 178.02 2klx n GLY 75 N 1.15 -0.16 0.36 3.86 0.00 -0.28 -4.99 105.19 105.13 2klx n GLY 75 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 1.46 -0.28 1.61 4.01 0.11 -4.13 118.16 120.93 2klx n LYS 76 Ca 0.00 -0.70 0.05 0.00 -0.51 0.00 0.00 58.31 57.15 2klx n LYS 76 Cb 0.00 -1.26 0.19 0.00 -0.51 0.00 0.00 35.03 33.44 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 1.27 0.52 -0.34 -0.35 6.46 -1.65 -1.14 115.31 120.08 2klx h LEU 77 Ca 0.00 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2klx h LEU 77 Cb 0.28 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 2klx h LEU 77 CO 0.00 0.26 -0.07 0.44 -0.62 0.00 0.00 178.44 178.45 2klx h ASP 78 N 0.64 -0.29 0.09 1.25 3.32 -1.90 0.25 116.42 119.79 2klx h ASP 78 Ca 0.41 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 2klx h ASP 78 Cb 0.51 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2klx h ASP 78 CO -0.32 -0.10 -0.04 -1.28 -1.72 0.00 0.00 179.24 175.78 2klx h SER 79 N 0.01 -0.10 -0.41 6.45 0.87 -1.62 -0.40 113.55 118.36 2klx h SER 79 Ca 0.16 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2klx h SER 79 Cb 0.24 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 2klx h SER 79 CO -0.34 0.06 0.09 -0.07 -0.53 0.00 0.00 176.83 176.04 2klx h LEU 80 N -0.25 0.02 -0.95 2.23 -0.00 -0.86 0.32 115.31 115.82 2klx h LEU 80 Ca -0.01 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2klx h LEU 80 Cb 0.21 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2klx h LEU 80 CO 0.02 0.05 0.32 -0.07 -0.00 0.00 0.00 178.44 178.76 2klx h LEU 81 N 0.22 0.98 -0.90 1.67 4.07 -0.41 0.41 115.31 121.35 2klx h LEU 81 Ca 0.20 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 2klx h LEU 81 Cb 0.23 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 2klx h LEU 81 CO -0.25 0.85 -0.26 -0.61 -1.08 0.00 0.00 178.44 177.09 2klx h GLN 82 N 1.06 0.00 0.02 1.13 4.15 -0.12 0.90 115.11 122.25 2klx h GLN 82 Ca 0.25 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.42 2klx h GLN 82 Cb 0.16 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2klx h GLN 82 CO -0.03 0.26 -1.31 -0.44 -1.93 0.00 0.00 178.83 175.38 2klx h ASP 83 N 0.00 0.07 0.84 -0.69 5.19 0.38 -3.33 116.42 118.88 2klx h ASP 83 Ca -0.00 -0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.17 2klx h ASP 83 Cb 0.85 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 2klx h ASP 83 CO 0.03 1.08 -1.25 -0.37 -3.12 0.00 0.00 179.24 175.61 2klx h VAL 84 N 0.01 0.52 -0.02 -1.35 -1.51 -0.84 -1.71 116.25 111.36 2klx h VAL 84 Ca -0.14 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 2klx h VAL 84 Cb 1.89 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 2klx h VAL 84 CO 0.12 0.30 0.00 1.57 -1.23 0.00 0.00 177.57 178.33