#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 3.19 0.00 1.61 0.04 -1.26 -4.91 135.00 133.68 2klx s PRO -2 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2klx s PRO -2 Cb 0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2klx s PRO -2 CO 0.00 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.41 2klx n GLY -1 N 5.43 1.19 3.21 0.56 0.00 -1.26 -5.19 105.19 109.14 2klx n GLY -1 Ca 0.21 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 2klx n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2klx s SER 0 N 0.00 0.37 -0.04 1.61 1.04 -1.26 -5.17 113.70 110.26 2klx s SER 0 Ca 0.00 -1.34 0.02 0.00 0.48 0.00 0.00 55.95 55.11 2klx s SER 0 Cb 0.00 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2klx s SER 0 CO 0.00 -0.79 -0.07 0.00 0.98 0.00 0.00 173.24 173.36 2klx s MET 1 N -4.11 1.00 0.50 4.02 0.23 -1.26 -4.83 119.30 114.85 2klx s MET 1 Ca 0.35 -0.23 0.02 0.00 -1.03 0.00 0.00 55.69 54.79 2klx s MET 1 Cb 0.07 -0.93 -0.02 0.00 -1.53 0.00 0.00 34.83 32.43 2klx s MET 1 CO 0.09 0.02 0.02 0.15 -2.03 0.00 0.00 175.02 173.27 2klx s LYS 2 N 0.56 2.16 0.06 3.16 1.02 -0.42 -5.01 119.74 121.27 2klx s LYS 2 Ca -0.09 -2.37 0.06 0.00 0.02 0.00 0.00 55.97 53.59 2klx s LYS 2 Cb -0.12 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 2klx s LYS 2 CO 0.01 -0.37 -0.10 -1.83 -0.92 0.00 0.00 175.35 172.14 2klx s GLU 3 N -3.86 2.28 -0.08 1.68 -1.05 -1.23 -3.95 118.70 112.49 2klx s GLU 3 Ca 0.08 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 54.01 2klx s GLU 3 Cb 0.02 -2.36 -0.03 0.00 -0.44 0.00 0.00 34.13 31.32 2klx s GLU 3 CO 0.04 0.55 -0.08 -1.50 0.95 0.00 0.00 175.26 175.22 2klx s ILE 4 N -1.08 3.56 -0.07 1.83 -1.16 -1.26 -1.19 121.20 121.82 2klx s ILE 4 Ca 0.19 -0.52 0.01 0.00 -0.51 0.00 0.00 60.65 59.81 2klx s ILE 4 Cb -0.11 -2.46 0.02 0.00 0.61 0.00 0.00 42.46 40.52 2klx s ILE 4 CO 0.10 0.58 -0.07 -0.63 -2.81 0.00 0.00 174.94 172.11 2klx s ILE 5 N -0.55 0.84 -0.19 2.00 1.01 -0.05 -1.28 121.20 122.98 2klx s ILE 5 Ca 0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2klx s ILE 5 Cb -0.12 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2klx s ILE 5 CO 0.02 0.31 0.02 -1.48 0.00 0.00 0.00 174.94 173.81 2klx s LEU 6 N 1.16 3.50 -0.32 2.97 0.05 -0.07 0.25 118.68 126.21 2klx s LEU 6 Ca -0.06 -0.07 -0.10 0.00 0.05 0.00 0.00 54.13 53.95 2klx s LEU 6 Cb -0.14 -1.88 -0.00 0.00 -2.05 0.00 0.00 46.19 42.12 2klx s LEU 6 CO -0.01 0.12 0.16 -0.31 -0.55 0.00 0.00 176.35 175.76 2klx s TYR 7 N 0.65 3.19 -0.04 3.48 2.02 -0.28 -0.29 117.35 126.07 2klx s TYR 7 Ca 0.01 -0.64 -0.24 0.00 -0.37 0.00 0.00 57.07 55.83 2klx s TYR 7 Cb -0.14 -2.37 0.08 0.00 -0.40 0.00 0.00 41.96 39.14 2klx s TYR 7 CO 0.02 -0.49 1.09 0.25 -1.57 0.00 0.00 175.55 174.85 2klx n THR 8 N 4.98 0.00 -2.60 -0.71 -2.24 -0.66 -2.37 114.28 110.68 2klx n THR 8 Ca -0.14 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.28 2klx n THR 8 Cb 0.49 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 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 3.63 0.00 -0.78 3.03 -1.26 -0.09 118.95 121.47 2klx s ARG 9 Ca 0.26 0.37 0.15 0.00 2.03 0.00 0.00 55.73 58.54 2klx s ARG 9 Cb -0.00 -2.34 0.76 0.00 -1.03 0.00 0.00 34.95 32.34 2klx s ARG 9 CO -0.01 -0.20 1.40 -0.35 -1.13 0.00 0.00 175.30 175.01 2klx n PRO 10 N -2.00 0.23 -2.96 3.89 -0.04 -1.26 -3.42 135.00 129.43 2klx n PRO 10 Ca 0.02 0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 2klx n PRO 10 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2klx n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2klx n ASN 11 N -1.26 4.21 -4.06 3.54 3.02 -1.26 -5.01 115.26 114.43 2klx n ASN 11 Ca 0.07 -3.64 -0.32 0.00 -0.03 0.00 0.00 54.58 50.67 2klx n ASN 11 Cb 0.11 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.57 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2klx n PRO 13 N 4.40 0.10 0.01 0.00 -0.04 -1.26 -2.55 135.00 135.66 2klx n PRO 13 Ca -0.11 0.20 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2klx n PRO 13 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 2klx n PRO 13 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2klx h TYR 14 N 0.00 0.28 -0.21 0.54 0.05 -2.00 -3.33 116.97 112.31 2klx h TYR 14 Ca 0.00 -0.21 0.06 0.00 0.05 0.00 0.00 58.73 58.63 2klx h TYR 14 Cb 0.19 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2klx h TYR 14 CO 0.00 1.35 0.28 0.00 -1.05 0.00 0.00 178.16 178.74 2klx h LYS 16 N 0.00 0.49 0.29 0.00 1.57 -1.71 0.12 116.57 117.33 2klx h LYS 16 Ca 0.10 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2klx h LYS 16 Cb 0.65 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2klx h LYS 16 CO -0.00 0.32 -0.14 0.00 -0.57 0.00 0.00 179.45 179.06 2klx h ARG 17 N 0.50 -0.37 0.28 3.15 -0.00 -1.55 0.40 114.38 116.79 2klx h ARG 17 Ca 0.62 0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 60.12 2klx h ARG 17 Cb 1.35 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 31.39 2klx h ARG 17 CO -0.39 -0.08 -0.22 0.00 0.00 0.00 0.00 179.97 179.28 2klx h ALA 18 N -0.04 -0.50 -0.46 0.04 0.00 -1.34 -1.33 119.26 115.63 2klx h ALA 18 Ca -0.04 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2klx h ALA 18 Cb 0.46 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2klx h ALA 18 CO 0.06 -0.80 0.31 0.07 0.00 0.00 0.00 179.25 178.89 2klx h ARG 19 N -0.51 0.51 -0.08 0.00 0.11 -0.87 -1.64 114.38 111.89 2klx h ARG 19 Ca -0.02 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2klx h ARG 19 Cb 0.45 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 2klx h ARG 19 CO -0.01 0.34 0.03 0.22 0.10 0.00 0.00 179.97 180.64 2klx h ASP 20 N 0.52 0.11 0.32 0.08 3.58 -0.35 -1.03 116.42 119.65 2klx h ASP 20 Ca 0.19 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2klx h ASP 20 Cb 0.10 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2klx h ASP 20 CO -0.05 0.27 -0.16 0.25 -2.88 0.00 0.00 179.24 176.67 2klx h LEU 21 N -0.06 -0.37 0.14 2.28 6.46 -0.75 0.28 115.31 123.29 2klx h LEU 21 Ca 0.02 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2klx h LEU 21 Cb 0.19 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 2klx h LEU 21 CO -0.00 -0.19 -0.43 -0.07 -0.62 0.00 0.00 178.44 177.13 2klx h LEU 22 N -0.52 -1.25 -1.06 2.25 4.07 -1.33 -0.99 115.31 116.48 2klx h LEU 22 Ca -0.04 0.14 0.02 0.00 0.08 0.00 0.00 57.88 58.08 2klx h LEU 22 Cb 0.39 0.47 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 2klx h LEU 22 CO 0.07 -0.50 0.63 -0.78 -1.08 0.00 0.00 178.44 176.79 2klx h ASP 23 N -0.67 1.08 -0.88 -0.43 3.58 -1.18 -0.66 116.42 117.25 2klx h ASP 23 Ca 0.02 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2klx h ASP 23 Cb 0.69 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 2klx h ASP 23 CO -0.24 0.76 0.53 0.50 -2.88 0.00 0.00 179.24 177.91 2klx h LYS 24 N 1.26 0.87 0.02 0.28 1.63 0.34 -1.51 116.57 119.45 2klx h LYS 24 Ca 0.37 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.91 2klx h LYS 24 Cb -0.07 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 2klx h LYS 24 CO -0.10 0.57 -0.92 0.87 -3.45 0.00 0.00 179.45 176.42 2klx h LYS 25 N 0.89 0.13 0.00 1.90 1.79 -0.53 -3.49 116.57 117.26 2klx h LYS 25 Ca 0.41 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2klx h LYS 25 Cb 0.34 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2klx h LYS 25 CO -0.23 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 179.51 2klx n GLY 26 N 1.01 0.85 3.38 3.86 0.00 -0.32 -5.12 105.19 108.85 2klx n GLY 26 Ca -0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.78 0.72 -0.33 1.61 -7.23 -1.07 -5.00 120.40 107.32 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 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2klx s VAL 27 CO 0.00 0.00 0.10 -0.54 -0.31 0.00 0.00 175.10 174.35 2klx s LYS 28 N -3.93 2.74 -0.03 4.82 3.01 -1.26 -4.55 119.74 120.54 2klx s LYS 28 Ca 0.36 -1.10 -0.03 0.00 -1.01 0.00 0.00 55.97 54.19 2klx s LYS 28 Cb 0.07 -3.44 -0.04 0.00 -1.01 0.00 0.00 37.83 33.41 2klx s LYS 28 CO 0.15 -0.61 0.15 1.52 0.51 0.00 0.00 175.35 177.07 2klx s TYR 29 N 1.43 3.49 -0.31 3.18 -0.85 -1.26 -4.22 117.35 118.80 2klx s TYR 29 Ca -0.01 0.35 -0.11 0.00 -0.52 0.00 0.00 57.07 56.79 2klx s TYR 29 Cb -0.19 -1.83 -0.02 0.00 0.38 0.00 0.00 41.96 40.31 2klx s TYR 29 CO 0.03 0.64 0.18 0.99 -1.52 0.00 0.00 175.55 175.86 2klx s THR 30 N -1.24 4.88 -0.34 -3.49 2.01 -0.40 -4.99 115.64 112.07 2klx s THR 30 Ca 0.24 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.73 2klx s THR 30 Cb -0.12 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 68.94 2klx s THR 30 CO 0.15 0.09 0.85 -0.62 -0.69 0.00 0.00 174.62 174.40 2klx s ASP 31 N 1.67 6.66 -0.28 3.53 -1.08 -1.26 -0.89 116.67 125.01 2klx s ASP 31 Ca 0.05 0.58 -0.11 0.00 -0.52 0.00 0.00 52.55 52.55 2klx s ASP 31 Cb -0.17 -2.43 -0.05 0.00 -1.46 0.00 0.00 42.92 38.81 2klx s ASP 31 CO 0.08 -0.75 0.19 -0.63 0.52 0.00 0.00 175.17 174.59 2klx s ILE 32 N 3.22 5.31 0.37 4.11 -1.09 0.60 -4.98 121.20 128.73 2klx s ILE 32 Ca 0.35 0.19 -0.26 0.00 -2.23 0.00 0.00 60.65 58.70 2klx s ILE 32 Cb -0.13 -3.53 -0.12 0.00 -1.58 0.00 0.00 42.46 37.10 2klx s ILE 32 CO 0.16 0.25 0.99 -0.67 -1.23 0.00 0.00 174.94 174.44 2klx n ASP 33 N 5.02 1.18 0.22 3.58 2.03 -1.25 -1.65 116.55 125.68 2klx n ASP 33 Ca -0.14 1.09 0.15 0.00 0.52 0.00 0.00 54.79 56.41 2klx n ASP 33 Cb 0.52 -1.32 0.76 0.00 -0.72 0.00 0.00 41.12 40.36 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2klx h ALA 34 N 1.70 1.00 -0.99 -1.67 0.00 -0.83 -3.39 119.26 115.07 2klx h ALA 34 Ca -0.42 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.94 2klx h ALA 34 Cb 1.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2klx h ALA 34 CO 0.58 0.00 1.60 0.45 0.00 0.00 0.00 179.25 181.88 2klx n SER 35 N -2.59 1.71 0.00 0.00 2.88 -1.26 -4.76 113.62 109.59 2klx n SER 35 Ca -0.01 -0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.75 2klx n SER 35 Cb 0.12 -1.29 0.72 0.00 -0.75 0.00 0.00 64.21 63.01 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 7.57 0.54 -0.98 2.46 1.35 -1.95 0.24 112.91 122.14 2klx h THR 36 Ca -0.20 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 65.93 2klx h THR 36 Cb 1.30 0.66 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 2klx h THR 36 CO 1.17 0.00 0.69 -1.28 -0.25 0.00 0.00 175.52 175.86 2klx h SER 37 N 0.00 0.10 0.00 5.36 0.87 -1.95 0.22 113.55 118.15 2klx h SER 37 Ca 0.27 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2klx h SER 37 Cb 1.19 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2klx h SER 37 CO -0.00 0.03 -1.10 0.18 -0.53 0.00 0.00 176.83 175.41 2klx n LEU 38 N -4.31 2.23 0.01 2.23 4.77 -0.09 -4.61 117.00 117.22 2klx n LEU 38 Ca 0.21 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 2klx n LEU 38 Cb 0.99 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.98 2klx n LEU 38 CO 0.37 0.40 0.83 -0.09 -1.33 0.00 0.00 177.39 177.57 2klx h ARG 39 N 0.00 0.07 -1.00 3.23 1.12 -0.51 -1.40 114.38 115.88 2klx h ARG 39 Ca -0.04 -0.01 0.15 0.00 -1.11 0.00 0.00 59.98 58.97 2klx h ARG 39 Cb 1.07 -0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 30.92 2klx h ARG 39 CO -0.00 0.17 0.62 0.37 -3.11 0.00 0.00 179.97 178.02 2klx h GLN 40 N -0.05 0.86 -0.01 0.20 4.15 -1.14 0.14 115.11 119.26 2klx h GLN 40 Ca 0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2klx h GLN 40 Cb 0.12 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 2klx h GLN 40 CO -0.00 0.57 -0.00 0.93 -1.93 0.00 0.00 178.83 178.39 2klx h GLU 41 N 0.88 0.02 0.03 1.69 4.39 -1.62 0.31 114.58 120.28 2klx h GLU 41 Ca 0.53 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.23 2klx h GLU 41 Cb 0.68 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2klx h GLU 41 CO -0.31 0.43 -0.10 0.52 -1.16 0.00 0.00 179.01 178.40 2klx h MET 42 N -0.40 -0.17 -0.43 2.33 2.86 -0.50 -1.40 114.93 117.22 2klx h MET 42 Ca 0.00 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2klx h MET 42 Cb 0.43 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2klx h MET 42 CO 0.00 -0.12 0.04 -0.24 1.06 0.00 0.00 176.91 177.66 2klx h VAL 43 N -0.18 1.22 0.03 -2.22 3.04 -0.80 0.23 116.25 117.56 2klx h VAL 43 Ca 0.03 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2klx h VAL 43 Cb 0.21 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2klx h VAL 43 CO -0.07 0.30 -0.01 1.56 -1.01 0.00 0.00 177.57 178.33 2klx h GLN 44 N 0.64 -0.04 0.00 4.17 4.20 -0.44 -1.51 115.11 122.14 2klx h GLN 44 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2klx h GLN 44 Cb 0.34 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2klx h GLN 44 CO 0.01 -0.02 -0.09 -2.13 -0.67 0.00 0.00 178.83 175.93 2klx n ARG 45 N -5.11 0.18 0.01 1.46 0.63 -0.57 0.61 116.66 113.86 2klx n ARG 45 Ca -0.07 0.13 -0.18 0.00 -0.92 0.00 0.00 57.85 56.81 2klx n ARG 45 Cb 0.04 -1.69 -0.10 0.00 0.45 0.00 0.00 32.46 31.16 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 2.68 0.13 0.00 5.13 0.00 -0.01 -3.40 119.26 123.80 2klx h ALA 46 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 2klx h ALA 46 Cb 0.66 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2klx h ALA 46 CO 0.00 0.48 -1.47 0.27 0.00 0.00 0.00 179.25 178.53 2klx n ASN 47 N -4.10 3.36 0.00 0.00 0.23 -0.62 -4.86 115.26 109.27 2klx n ASN 47 Ca -0.10 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 2klx n ASN 47 Cb 0.72 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 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 3.03 4.29 3.15 4.83 0.00 0.20 -5.05 105.19 115.64 2klx n GLY 48 Ca -0.14 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 0.35 -0.03 1.61 3.52 -1.14 -4.71 118.95 118.55 2klx s ARG 49 Ca 0.00 0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 55.76 2klx s ARG 49 Cb 0.00 0.23 0.09 0.00 -1.56 0.00 0.00 34.95 33.71 2klx s ARG 49 CO 0.00 -0.55 0.78 -0.80 -0.81 0.00 0.00 175.30 173.92 2klx s ASN 50 N 2.90 -0.53 -0.39 -2.12 0.02 -1.26 -4.98 114.94 108.59 2klx s ASN 50 Ca 0.15 0.40 0.11 0.00 -1.02 0.00 0.00 52.86 52.50 2klx s ASN 50 Cb -0.08 0.47 0.38 0.00 0.02 0.00 0.00 41.25 42.03 2klx s ASN 50 CO -0.21 -0.61 1.03 1.07 0.02 0.00 0.00 177.10 178.40 2klx n THR 51 N 0.46 0.21 -3.71 1.60 5.66 -1.26 -4.02 114.28 113.21 2klx n THR 51 Ca -0.15 -2.70 -0.12 0.00 -3.05 0.00 0.00 64.05 58.03 2klx n THR 51 Cb 0.59 0.71 -0.07 0.00 -1.55 0.00 0.00 70.33 70.01 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 -1.31 -0.19 0.45 1.09 0.08 -1.26 -5.03 117.98 111.80 2klx s PHE 52 Ca 0.28 0.14 -0.23 0.00 0.12 0.00 0.00 56.93 57.24 2klx s PHE 52 Cb 0.38 0.15 -0.08 0.00 -0.57 0.00 0.00 43.02 42.90 2klx s PHE 52 CO -0.04 -0.52 1.17 -1.25 -0.10 0.00 0.00 175.22 174.48 2klx s PRO 53 N -2.33 3.80 -0.07 0.24 0.04 -1.26 -5.02 135.00 130.40 2klx s PRO 53 Ca -0.06 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 2klx s PRO 53 Cb -0.01 -2.45 0.11 0.00 0.04 0.00 0.00 34.50 32.19 2klx s PRO 53 CO -0.02 -0.52 1.36 1.14 0.04 0.00 0.00 177.00 179.00 2klx s GLN 54 N -2.64 0.15 -0.34 4.56 1.03 -1.00 -4.93 119.66 116.48 2klx s GLN 54 Ca 0.63 -0.09 -0.12 0.00 0.04 0.00 0.00 55.36 55.82 2klx s GLN 54 Cb -0.29 0.04 -0.00 0.00 0.03 0.00 0.00 33.01 32.79 2klx s GLN 54 CO 0.35 -0.07 0.21 0.42 -2.54 0.00 0.00 175.29 173.67 2klx s ILE 55 N -2.04 4.92 -0.06 3.63 1.09 -1.08 -1.13 121.20 126.54 2klx s ILE 55 Ca 0.28 -0.45 -0.13 0.00 -1.10 0.00 0.00 60.65 59.24 2klx s ILE 55 Cb 0.01 -3.58 -0.05 0.00 -1.06 0.00 0.00 42.46 37.78 2klx s ILE 55 CO -0.03 -0.06 0.34 0.12 -0.10 0.00 0.00 174.94 175.22 2klx s PHE 56 N 1.65 3.64 -0.05 3.97 2.19 0.14 0.17 117.98 129.69 2klx s PHE 56 Ca 0.05 0.83 -0.02 0.00 0.33 0.00 0.00 56.93 58.12 2klx s PHE 56 Cb -0.18 -2.25 0.03 0.00 -1.31 0.00 0.00 43.02 39.31 2klx s PHE 56 CO 0.08 0.56 0.08 0.96 1.83 0.00 0.00 175.22 178.73 2klx s ILE 57 N -0.67 -0.14 -1.56 3.12 -4.36 -0.32 -0.87 121.20 116.40 2klx s ILE 57 Ca 0.21 0.39 -0.10 0.00 -0.26 0.00 0.00 60.65 60.89 2klx s ILE 57 Cb -0.15 -0.18 0.08 0.00 1.25 0.00 0.00 42.46 43.46 2klx s ILE 57 CO 0.10 0.16 0.66 0.61 0.24 0.00 0.00 174.94 176.71 2klx n GLY 58 N 5.18 -0.36 2.36 6.27 0.00 -0.34 0.13 105.19 118.43 2klx n GLY 58 Ca -0.06 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.82 -4.30 -3.57 1.61 8.00 -1.26 -5.00 116.55 109.22 2klx n ASP 59 Ca -0.09 -0.07 -0.27 0.00 0.71 0.00 0.00 54.79 55.07 2klx n ASP 59 Cb 0.58 -3.37 -0.16 0.00 -0.02 0.00 0.00 41.12 38.15 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 -2.77 0.21 0.41 1.24 5.04 0.12 -4.89 117.35 116.71 2klx s TYR 60 Ca 0.07 -0.54 -0.26 0.00 -2.44 0.00 0.00 57.07 53.90 2klx s TYR 60 Cb -0.03 -0.76 -0.09 0.00 0.35 0.00 0.00 41.96 41.43 2klx s TYR 60 CO 0.08 -0.67 1.34 -3.38 -1.34 0.00 0.00 175.55 171.58 2klx s HIS 61 N 2.14 2.73 -0.01 4.97 -3.43 -1.26 -1.17 115.29 119.26 2klx s HIS 61 Ca 0.06 1.37 -0.01 0.00 -0.80 0.00 0.00 55.06 55.67 2klx s HIS 61 Cb -0.16 -3.74 -0.00 0.00 -1.43 0.00 0.00 32.58 27.25 2klx s HIS 61 CO -0.23 -2.31 -0.02 0.28 -2.00 0.00 0.00 174.74 170.46 2klx n VAL 62 N 0.08 0.15 0.00 -5.38 0.31 0.13 -4.91 118.33 108.70 2klx n VAL 62 Ca 0.04 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2klx n VAL 62 Cb 0.43 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 -0.24 3.95 2.92 0.00 -1.26 -4.92 105.19 107.82 2klx n GLY 63 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 1.74 0.21 -0.02 0.00 -1.26 -2.62 107.32 105.38 2klx s GLY 64 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 2klx s GLY 64 CO 0.00 -0.75 1.68 0.00 0.00 0.00 0.00 173.10 174.03 2klx h ASP 66 N 0.87 0.00 -0.01 0.00 3.04 -1.94 -3.29 116.42 115.08 2klx h ASP 66 Ca 0.15 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.98 2klx h ASP 66 Cb 0.55 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.79 2klx h ASP 66 CO 0.03 0.47 -0.32 0.44 -2.04 0.00 0.00 179.24 177.83 2klx h ASP 67 N 0.00 -0.95 -0.93 4.15 5.19 -1.86 0.22 116.42 122.24 2klx h ASP 67 Ca -0.00 0.13 0.10 0.00 -0.62 0.00 0.00 57.03 56.63 2klx h ASP 67 Cb 1.12 0.39 -0.07 0.00 0.18 0.00 0.00 39.33 40.95 2klx h ASP 67 CO 0.06 -0.38 0.60 0.17 -3.12 0.00 0.00 179.24 176.57 2klx h LEU 68 N -0.46 0.86 0.20 1.55 8.10 -1.63 -1.22 115.31 122.71 2klx h LEU 68 Ca 0.06 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 2klx h LEU 68 Cb 0.55 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2klx h LEU 68 CO -0.27 0.50 -0.10 1.88 -4.11 0.00 0.00 178.44 176.34 2klx h TYR 69 N 0.94 -0.25 -0.17 0.17 -1.99 -1.37 -1.49 116.97 112.82 2klx h TYR 69 Ca 0.43 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.21 2klx h TYR 69 Cb 0.40 0.08 -0.06 0.00 2.00 0.00 0.00 36.73 39.15 2klx h TYR 69 CO -0.00 0.07 -0.21 0.00 -0.00 0.00 0.00 178.16 178.01 2klx h ALA 70 N 0.15 -0.14 -0.35 3.88 0.00 -0.18 -0.67 119.26 121.94 2klx h ALA 70 Ca -0.03 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2klx h ALA 70 Cb 0.43 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2klx h ALA 70 CO 0.04 -0.66 0.12 -0.07 0.00 0.00 0.00 179.25 178.69 2klx h LEU 71 N -0.25 0.13 -1.46 0.00 3.38 -1.27 0.28 115.31 116.11 2klx h LEU 71 Ca 0.11 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2klx h LEU 71 Cb 0.42 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2klx h LEU 71 CO -0.31 0.11 0.47 -0.08 0.09 0.00 0.00 178.44 178.71 2klx h GLU 72 N 0.27 0.59 0.00 1.13 4.81 -0.67 0.37 114.58 121.08 2klx h GLU 72 Ca 0.16 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2klx h GLU 72 Cb 0.14 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2klx h GLU 72 CO -0.17 0.39 -0.55 -0.97 -0.73 0.00 0.00 179.01 176.98 2klx h ASN 73 N 0.61 0.00 1.63 1.04 -1.24 -0.08 -3.07 115.58 114.47 2klx h ASN 73 Ca 0.32 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.29 2klx h ASN 73 Cb 0.46 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 2klx h ASN 73 CO -0.11 0.31 -0.21 0.11 -1.29 0.00 0.00 177.43 176.24 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.15 -3.46 116.57 121.72 2klx h LYS 74 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2klx h LYS 74 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2klx h LYS 74 CO 0.04 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.03 2klx n GLY 75 N 0.97 -0.28 0.17 3.86 0.00 -0.33 -4.99 105.19 104.60 2klx n GLY 75 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 1.23 -0.25 1.61 4.01 0.11 -3.99 118.16 120.88 2klx n LYS 76 Ca 0.00 -0.34 0.02 0.00 -0.51 0.00 0.00 58.31 57.48 2klx n LYS 76 Cb 0.00 -1.36 0.14 0.00 -0.51 0.00 0.00 35.03 33.30 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 0.71 0.49 -0.73 -0.35 6.46 -1.65 -0.64 115.31 119.60 2klx h LEU 77 Ca 0.00 0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.93 2klx h LEU 77 Cb 0.15 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 39.98 2klx h LEU 77 CO 0.00 0.28 0.34 -2.24 -0.62 0.00 0.00 178.44 176.20 2klx h ASP 78 N 0.62 0.40 0.15 1.25 3.04 -1.88 0.31 116.42 120.32 2klx h ASP 78 Ca 0.36 0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 54.22 2klx h ASP 78 Cb 0.37 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 2klx h ASP 78 CO -0.27 0.21 -0.07 -1.28 -2.04 0.00 0.00 179.24 175.79 2klx h SER 79 N 0.55 -0.18 -0.10 4.15 0.87 -1.56 -0.97 113.55 116.32 2klx h SER 79 Ca 0.38 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2klx h SER 79 Cb 0.47 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 2klx h SER 79 CO -0.32 0.27 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.00 2klx h LEU 80 N -0.67 -0.56 0.41 2.23 -0.00 -0.79 0.27 115.31 116.19 2klx h LEU 80 Ca -0.02 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2klx h LEU 80 Cb 0.49 0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2klx h LEU 80 CO 0.03 -0.24 -0.23 -0.07 -0.00 0.00 0.00 178.44 177.94 2klx h LEU 81 N -0.25 -0.56 -2.60 1.67 -0.00 -0.47 0.76 115.31 113.86 2klx h LEU 81 Ca 0.09 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 58.01 2klx h LEU 81 Cb 0.37 0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2klx h LEU 81 CO -0.24 -0.37 0.07 -0.61 -0.00 0.00 0.00 178.44 177.28 2klx h GLN 82 N -0.60 0.00 0.00 1.13 4.15 -0.93 -0.27 115.11 118.59 2klx h GLN 82 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2klx h GLN 82 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2klx h GLN 82 CO 0.06 0.00 -0.01 0.22 -1.93 0.00 0.00 178.83 177.17 2klx h ASP 83 N 0.00 0.00 -0.93 -0.69 1.82 0.43 -3.29 116.42 113.76 2klx h ASP 83 Ca 0.02 0.00 0.27 0.00 -0.39 0.00 0.00 57.03 56.92 2klx h ASP 83 Cb 0.15 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 2klx h ASP 83 CO -0.00 0.07 0.67 -0.37 -1.61 0.00 0.00 179.24 178.00 2klx h VAL 84 N -0.14 0.54 0.00 2.25 -1.51 -0.82 -1.10 116.25 115.47 2klx h VAL 84 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2klx h VAL 84 Cb 0.01 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 2klx h VAL 84 CO 0.00 0.01 0.00 1.57 -1.23 0.00 0.00 177.57 177.92