#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 3.92 0.10 1.61 0.04 -1.26 -5.04 135.00 134.37 2klx s PRO -2 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2klx s PRO -2 Cb 0.00 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 2klx s PRO -2 CO 0.00 -0.43 0.13 0.41 0.04 0.00 0.00 177.00 177.14 2klx n GLY -1 N 0.55 3.08 3.27 0.56 0.00 -1.26 -5.16 105.19 106.24 2klx n GLY -1 Ca 0.06 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.64 3.68 -0.19 1.61 0.01 -1.26 -5.11 113.70 110.79 2klx s SER 0 Ca 0.09 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 56.80 2klx s SER 0 Cb -0.00 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 2klx s SER 0 CO 0.07 0.09 0.12 -0.32 0.41 0.00 0.00 173.24 173.61 2klx s MET 1 N 0.76 4.11 -0.19 12.44 1.75 -1.26 -5.04 119.30 131.87 2klx s MET 1 Ca -0.06 -0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 53.86 2klx s MET 1 Cb -0.15 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 2klx s MET 1 CO 0.01 0.33 1.83 -1.59 -0.65 0.00 0.00 175.02 174.95 2klx s LYS 2 N 0.26 3.66 0.02 4.11 -2.85 -1.26 -4.98 119.74 118.70 2klx s LYS 2 Ca 0.08 1.89 0.02 0.00 -1.00 0.00 0.00 55.97 56.96 2klx s LYS 2 Cb -0.11 -4.15 -0.01 0.00 -2.06 0.00 0.00 37.83 31.49 2klx s LYS 2 CO -0.01 -1.48 -0.07 -2.00 0.10 0.00 0.00 175.35 171.89 2klx s GLU 3 N 5.12 0.54 -0.08 1.78 2.12 -1.26 -4.60 118.70 122.32 2klx s GLU 3 Ca 0.82 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.55 2klx s GLU 3 Cb -0.30 -0.44 -0.05 0.00 0.26 0.00 0.00 34.13 33.61 2klx s GLU 3 CO 0.33 0.11 0.27 -1.50 -0.54 0.00 0.00 175.26 173.93 2klx s ILE 4 N -0.70 5.28 0.06 -3.70 -1.16 -1.26 -0.09 121.20 119.62 2klx s ILE 4 Ca -0.03 0.52 0.03 0.00 -0.51 0.00 0.00 60.65 60.67 2klx s ILE 4 Cb -0.06 -3.56 -0.03 0.00 0.61 0.00 0.00 42.46 39.42 2klx s ILE 4 CO 0.00 0.57 -0.10 -0.63 -2.81 0.00 0.00 174.94 171.96 2klx s ILE 5 N -0.80 0.81 -0.17 2.00 1.01 -0.48 -1.31 121.20 122.25 2klx s ILE 5 Ca 0.19 -1.26 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 2klx s ILE 5 Cb -0.14 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.47 2klx s ILE 5 CO 0.08 -0.36 -0.05 -1.48 0.00 0.00 0.00 174.94 173.13 2klx s LEU 6 N -1.79 1.71 -0.42 2.97 2.34 -0.40 0.20 118.68 123.29 2klx s LEU 6 Ca -0.04 -0.72 -0.18 0.00 0.06 0.00 0.00 54.13 53.24 2klx s LEU 6 Cb -0.09 -0.94 0.02 0.00 -0.56 0.00 0.00 46.19 44.62 2klx s LEU 6 CO 0.01 -0.19 0.51 -0.31 -1.06 0.00 0.00 176.35 175.31 2klx s TYR 7 N 1.61 3.14 -0.06 3.48 2.02 -0.14 -0.57 117.35 126.83 2klx s TYR 7 Ca 0.00 -0.20 -0.26 0.00 -0.37 0.00 0.00 57.07 56.23 2klx s TYR 7 Cb -0.16 -3.04 0.09 0.00 -0.40 0.00 0.00 41.96 38.45 2klx s TYR 7 CO -0.08 -0.73 1.18 0.25 -1.57 0.00 0.00 175.55 174.60 2klx n THR 8 N 5.57 0.00 -2.68 -0.71 -2.24 -0.63 -2.58 114.28 111.01 2klx n THR 8 Ca -0.05 -0.06 -0.28 0.00 -2.27 0.00 0.00 64.05 61.39 2klx n THR 8 Cb 0.48 0.47 -0.01 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 3.59 0.00 -0.78 1.70 -1.26 -0.12 118.95 120.07 2klx s ARG 9 Ca 0.28 0.25 0.15 0.00 -0.47 0.00 0.00 55.73 55.93 2klx s ARG 9 Cb -0.00 -2.38 0.67 0.00 -0.57 0.00 0.00 34.95 32.67 2klx s ARG 9 CO -0.02 -0.17 1.43 -0.35 -1.08 0.00 0.00 175.30 175.12 2klx n PRO 10 N -2.06 0.10 -2.47 3.89 -0.04 -1.26 -3.46 135.00 129.70 2klx n PRO 10 Ca 0.01 0.20 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 2klx n PRO 10 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.40 6.56 -4.10 3.54 2.85 -1.26 -4.93 115.26 116.51 2klx n ASN 11 Ca 0.05 -3.74 -0.36 0.00 -0.11 0.00 0.00 54.58 50.43 2klx n ASN 11 Cb 0.14 -0.94 -0.12 0.00 1.24 0.00 0.00 39.78 40.11 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 4.39 0.15 -0.11 0.00 -0.04 -1.26 -2.98 135.00 135.14 2klx n PRO 13 Ca -0.00 0.18 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 2klx n PRO 13 Cb 0.41 -1.50 -0.10 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 -1.35 0.00 0.23 0.54 4.01 -1.26 -4.38 117.16 114.95 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 0.13 -0.87 0.83 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.52 -0.85 0.00 1.57 -1.76 0.30 116.57 116.36 2klx h LYS 16 Ca 0.08 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2klx h LYS 16 Cb 0.70 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2klx h LYS 16 CO -0.00 0.35 0.41 0.00 -0.57 0.00 0.00 179.45 179.63 2klx h ARG 17 N 0.54 1.22 0.36 3.15 3.08 -1.57 -0.54 114.38 120.62 2klx h ARG 17 Ca 0.63 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 2klx h ARG 17 Cb 1.30 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2klx h ARG 17 CO -0.43 0.94 -0.17 0.00 -1.07 0.00 0.00 179.97 179.23 2klx h ALA 18 N 1.22 -0.49 -0.28 0.04 0.00 -0.61 -0.55 119.26 118.60 2klx h ALA 18 Ca 0.29 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2klx h ALA 18 Cb 0.12 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2klx h ALA 18 CO -0.04 -0.66 0.19 0.07 0.00 0.00 0.00 179.25 178.81 2klx h ARG 19 N -0.71 0.27 -0.19 0.00 0.11 -1.28 -1.72 114.38 110.85 2klx h ARG 19 Ca -0.05 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 2klx h ARG 19 Cb 0.50 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2klx h ARG 19 CO 0.08 0.18 -0.38 0.22 0.10 0.00 0.00 179.97 180.17 2klx h ASP 20 N 0.27 0.67 -0.11 0.08 3.58 -0.93 -1.08 116.42 118.90 2klx h ASP 20 Ca 0.11 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 57.01 2klx h ASP 20 Cb 0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2klx h ASP 20 CO -0.02 1.09 0.06 0.25 -2.88 0.00 0.00 179.24 177.74 2klx h LEU 21 N 0.27 0.14 0.55 2.28 6.46 -0.42 0.57 115.31 125.17 2klx h LEU 21 Ca 0.01 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2klx h LEU 21 Cb 0.98 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.88 2klx h LEU 21 CO 0.08 0.17 -0.27 -0.07 -0.62 0.00 0.00 178.44 177.74 2klx h LEU 22 N 0.10 -0.63 -1.45 2.25 3.38 -1.39 0.11 115.31 117.67 2klx h LEU 22 Ca 0.04 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2klx h LEU 22 Cb 0.06 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2klx h LEU 22 CO -0.01 -0.29 0.58 -0.78 0.09 0.00 0.00 178.44 178.04 2klx h ASP 23 N -0.99 0.47 1.03 -0.43 3.58 -1.21 0.26 116.42 119.13 2klx h ASP 23 Ca -0.08 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 2klx h ASP 23 Cb 0.64 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2klx h ASP 23 CO 0.12 0.20 -0.75 0.50 -2.88 0.00 0.00 179.24 176.43 2klx h LYS 24 N 0.47 0.00 -0.06 0.28 3.11 -0.74 -3.21 116.57 116.43 2klx h LYS 24 Ca 0.46 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 58.18 2klx h LYS 24 Cb 1.05 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 2klx h LYS 24 CO -0.19 0.75 -0.54 0.87 -2.81 0.00 0.00 179.45 177.53 2klx h LYS 25 N 0.00 0.17 0.00 1.90 6.56 0.22 -3.48 116.57 121.94 2klx h LYS 25 Ca -0.01 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2klx h LYS 25 Cb 1.47 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.14 2klx h LYS 25 CO 0.10 0.67 0.00 0.41 -2.06 0.00 0.00 179.45 178.57 2klx n GLY 26 N 0.09 0.69 3.45 3.86 0.00 -0.52 -5.09 105.19 107.67 2klx n GLY 26 Ca -0.02 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.88 0.00 -0.30 1.61 -7.23 -1.20 -4.92 120.40 107.48 2klx s VAL 27 Ca 0.00 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2klx s VAL 27 Cb 0.00 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.42 2klx s VAL 27 CO 0.00 0.00 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.23 2klx s LYS 28 N -3.22 2.02 0.12 4.82 3.01 -1.26 -4.51 119.74 120.73 2klx s LYS 28 Ca 0.32 -1.53 -0.12 0.00 -1.01 0.00 0.00 55.97 53.63 2klx s LYS 28 Cb 0.00 -3.09 -0.06 0.00 -1.01 0.00 0.00 37.83 33.67 2klx s LYS 28 CO 0.21 -0.73 0.47 1.52 0.51 0.00 0.00 175.35 177.33 2klx s TYR 29 N 1.07 3.58 -0.31 3.18 -0.85 -1.26 -4.42 117.35 118.34 2klx s TYR 29 Ca -0.01 0.91 -0.09 0.00 -0.52 0.00 0.00 57.07 57.35 2klx s TYR 29 Cb -0.20 -2.25 -0.01 0.00 0.38 0.00 0.00 41.96 39.88 2klx s TYR 29 CO -0.05 0.47 0.14 0.99 -1.52 0.00 0.00 175.55 175.57 2klx s THR 30 N -1.45 4.50 -0.13 -3.49 2.01 -0.43 -5.00 115.64 111.64 2klx s THR 30 Ca 0.36 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.67 2klx s THR 30 Cb -0.14 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2klx s THR 30 CO 0.19 0.08 0.80 -0.62 -0.69 0.00 0.00 174.62 174.38 2klx s ASP 31 N 1.60 6.98 -0.26 3.53 2.15 -1.26 -1.27 116.67 128.13 2klx s ASP 31 Ca 0.04 1.19 -0.06 0.00 0.43 0.00 0.00 52.55 54.16 2klx s ASP 31 Cb -0.17 -2.45 -0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2klx s ASP 31 CO 0.06 -0.32 0.03 -0.63 -0.17 0.00 0.00 175.17 174.14 2klx s ILE 32 N 1.74 3.80 0.38 4.11 -1.09 0.27 -4.95 121.20 125.46 2klx s ILE 32 Ca 0.39 -0.55 -0.25 0.00 -2.23 0.00 0.00 60.65 58.00 2klx s ILE 32 Cb -0.17 -2.86 -0.12 0.00 -1.58 0.00 0.00 42.46 37.74 2klx s ILE 32 CO 0.15 0.24 0.98 0.47 -1.23 0.00 0.00 174.94 175.54 2klx n ASP 33 N 4.84 1.14 0.29 3.58 8.00 -1.25 -1.60 116.55 131.56 2klx n ASP 33 Ca -0.16 1.07 0.19 0.00 0.71 0.00 0.00 54.79 56.60 2klx n ASP 33 Cb 0.49 -1.32 1.03 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.63 1.00 -1.39 2.24 0.00 -0.85 -3.40 119.26 118.48 2klx h ALA 34 Ca -0.43 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 2klx h ALA 34 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2klx h ALA 34 CO 0.58 0.00 1.22 0.45 0.00 0.00 0.00 179.25 181.49 2klx n SER 35 N -2.85 2.46 0.25 0.00 2.88 -1.26 -4.81 113.62 110.29 2klx n SER 35 Ca -0.02 0.71 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 2klx n SER 35 Cb 0.07 -1.25 0.65 0.00 -0.75 0.00 0.00 64.21 62.94 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 6.27 0.58 -1.01 2.46 1.35 -1.94 0.26 112.91 120.88 2klx h THR 36 Ca -0.37 -0.70 0.28 0.00 -0.55 0.00 0.00 66.41 65.08 2klx h THR 36 Cb 1.31 1.45 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 2klx h THR 36 CO 0.99 0.15 0.71 0.77 -0.25 0.00 0.00 175.52 177.89 2klx h SER 37 N 0.00 0.11 0.00 5.36 4.64 -1.95 -0.74 113.55 120.96 2klx h SER 37 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2klx h SER 37 Cb 0.44 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2klx h SER 37 CO 0.02 0.03 -0.84 -0.11 -0.87 0.00 0.00 176.83 175.06 2klx n LEU 38 N -4.32 1.32 -0.34 5.97 7.94 -1.06 -4.69 117.00 121.82 2klx n LEU 38 Ca 0.22 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.08 2klx n LEU 38 Cb 1.01 0.00 0.09 0.00 0.53 0.00 0.00 43.42 45.06 2klx n LEU 38 CO 0.37 0.22 1.19 -0.09 -1.11 0.00 0.00 177.39 177.97 2klx h ARG 39 N 0.00 1.27 -1.01 1.96 2.43 -0.42 -1.44 114.38 117.17 2klx h ARG 39 Ca 0.00 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2klx h ARG 39 Cb 0.84 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 2klx h ARG 39 CO 0.00 0.92 0.66 0.37 -1.51 0.00 0.00 179.97 180.41 2klx h GLN 40 N 1.28 1.24 -0.01 0.20 4.15 -1.31 0.24 115.11 120.90 2klx h GLN 40 Ca 0.32 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2klx h GLN 40 Cb 0.01 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.41 2klx h GLN 40 CO -0.05 0.82 -0.02 0.93 -1.93 0.00 0.00 178.83 178.58 2klx h GLU 41 N 1.28 0.03 0.13 1.69 5.08 -1.61 -0.59 114.58 120.61 2klx h GLU 41 Ca 0.40 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2klx h GLU 41 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2klx h GLU 41 CO -0.12 0.56 -0.07 1.98 -1.00 0.00 0.00 179.01 180.36 2klx h MET 42 N -0.49 -0.19 -0.41 2.33 4.05 -1.04 -1.57 114.93 117.61 2klx h MET 42 Ca 0.00 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2klx h MET 42 Cb 0.56 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 2klx h MET 42 CO 0.00 -0.13 0.08 -0.24 0.23 0.00 0.00 176.91 176.86 2klx h VAL 43 N -0.20 1.19 0.02 -5.77 3.04 -0.61 0.24 116.25 114.16 2klx h VAL 43 Ca -0.01 -0.69 -0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2klx h VAL 43 Cb 0.16 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 2klx h VAL 43 CO 0.02 0.25 -0.01 -0.61 -1.01 0.00 0.00 177.57 176.21 2klx h GLN 44 N 0.59 -0.02 0.00 4.17 4.15 -0.71 -1.48 115.11 121.81 2klx h GLN 44 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2klx h GLN 44 Cb 0.25 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2klx h GLN 44 CO -0.00 0.06 -0.08 -2.13 -1.93 0.00 0.00 178.83 174.75 2klx n ARG 45 N -5.06 0.08 0.06 1.69 0.63 -0.63 0.58 116.66 114.01 2klx n ARG 45 Ca -0.07 0.05 -0.21 0.00 -0.92 0.00 0.00 57.85 56.70 2klx n ARG 45 Cb 0.07 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.27 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 2.87 -0.03 0.00 5.13 0.00 -0.06 -3.41 119.26 123.76 2klx h ALA 46 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 54.91 54.07 2klx h ALA 46 Cb 0.57 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2klx h ALA 46 CO 0.00 0.51 -1.47 0.27 0.00 0.00 0.00 179.25 178.56 2klx n ASN 47 N -3.99 3.35 0.00 0.00 0.23 -0.60 -4.94 115.26 109.32 2klx n ASN 47 Ca -0.13 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2klx n ASN 47 Cb 0.88 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.55 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 1.98 3.61 4.83 0.00 0.20 -5.08 105.19 113.75 2klx n GLY 48 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 0.40 -0.15 1.61 3.52 -0.85 -4.99 118.95 118.47 2klx s ARG 49 Ca 0.00 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.35 2klx s ARG 49 Cb 0.00 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2klx s ARG 49 CO 0.00 -0.18 0.04 -0.80 -0.81 0.00 0.00 175.30 173.56 2klx s ASN 50 N -2.64 5.52 0.02 -2.12 -0.87 -1.26 -3.64 114.94 109.94 2klx s ASN 50 Ca 0.12 0.10 -0.01 0.00 -1.57 0.00 0.00 52.86 51.50 2klx s ASN 50 Cb 0.02 -1.86 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 2klx s ASN 50 CO -0.04 0.23 0.05 0.41 -2.57 0.00 0.00 177.10 175.19 2klx n THR 51 N 3.13 0.00 -0.91 1.60 -1.04 -1.26 -5.10 114.28 110.70 2klx n THR 51 Ca -0.17 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.46 2klx n THR 51 Cb 0.53 0.06 0.15 0.00 -1.82 0.00 0.00 70.33 69.24 2klx n THR 51 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2klx n PHE 52 N -0.04 0.99 -1.35 -1.42 1.16 -1.26 -4.98 117.46 110.56 2klx n PHE 52 Ca -0.00 0.40 -0.31 0.00 -1.87 0.00 0.00 57.45 55.66 2klx n PHE 52 Cb 0.04 -2.05 0.08 0.00 -1.61 0.00 0.00 39.48 35.94 2klx n PHE 52 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2klx s PRO 53 N -4.31 2.36 0.02 3.97 0.04 -1.26 -5.05 135.00 130.76 2klx s PRO 53 Ca 0.70 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 2klx s PRO 53 Cb -0.26 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.45 2klx s PRO 53 CO 0.55 -1.57 1.10 0.00 0.04 0.00 0.00 177.00 177.11 2klx n GLN 54 N -3.32 0.25 -3.31 4.56 0.00 -1.06 -4.84 117.38 109.66 2klx n GLN 54 Ca 0.09 -0.83 -0.40 0.00 0.00 0.00 0.00 57.00 55.86 2klx n GLN 54 Cb 0.53 1.29 -0.08 0.00 0.00 0.00 0.00 30.24 31.97 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 -2.05 5.11 0.13 -0.39 1.09 -1.26 -0.97 121.20 122.86 2klx s ILE 55 Ca 0.26 0.64 -0.06 0.00 -1.10 0.00 0.00 60.65 60.39 2klx s ILE 55 Cb -0.01 -3.79 -0.06 0.00 -1.06 0.00 0.00 42.46 37.54 2klx s ILE 55 CO 0.01 0.07 0.38 0.12 -0.10 0.00 0.00 174.94 175.41 2klx s PHE 56 N 2.21 3.49 -0.36 3.97 2.19 0.13 -1.09 117.98 128.52 2klx s PHE 56 Ca 0.18 0.60 0.00 0.00 0.33 0.00 0.00 56.93 58.04 2klx s PHE 56 Cb -0.16 -2.04 0.13 0.00 -1.31 0.00 0.00 43.02 39.65 2klx s PHE 56 CO 0.10 0.45 0.20 0.42 1.83 0.00 0.00 175.22 178.23 2klx s ILE 57 N -1.60 0.44 0.00 3.12 1.01 0.13 -1.39 121.20 122.91 2klx s ILE 57 Ca 0.39 -1.80 0.00 0.00 0.00 0.00 0.00 60.65 59.24 2klx s ILE 57 Cb -0.12 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2klx s ILE 57 CO 0.23 -0.93 0.00 0.61 0.00 0.00 0.00 174.94 174.85 2klx n GLY 58 N 4.08 0.93 0.16 6.18 0.00 0.87 -1.28 105.19 116.13 2klx n GLY 58 Ca 0.09 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.62 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 3.50 1.05 -4.02 1.61 2.03 -1.26 -4.82 116.55 114.64 2klx n ASP 59 Ca 0.00 -2.04 -0.24 0.00 0.52 0.00 0.00 54.79 53.03 2klx n ASP 59 Cb 0.00 -0.17 -0.17 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.96 1.43 -0.32 -0.67 5.04 -0.40 -5.04 117.35 116.42 2klx s TYR 60 Ca 0.08 -0.52 -0.13 0.00 -2.44 0.00 0.00 57.07 54.06 2klx s TYR 60 Cb 0.07 -1.05 -0.03 0.00 0.35 0.00 0.00 41.96 41.30 2klx s TYR 60 CO 0.01 -0.27 0.25 -3.38 -1.34 0.00 0.00 175.55 170.81 2klx s HIS 61 N 0.68 3.23 0.00 4.97 -3.43 -1.26 0.21 115.29 119.68 2klx s HIS 61 Ca -0.14 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2klx s HIS 61 Cb -0.16 -2.48 0.00 0.00 -1.43 0.00 0.00 32.58 28.51 2klx s HIS 61 CO 0.04 -0.31 0.71 0.28 -2.00 0.00 0.00 174.74 173.45 2klx n VAL 62 N 5.11 0.00 0.00 -5.38 0.31 -0.25 -4.98 118.33 113.14 2klx n VAL 62 Ca -0.12 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.40 2klx n VAL 62 Cb 0.50 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.52 1.09 3.63 2.92 0.00 -1.26 -4.98 105.19 106.08 2klx n GLY 63 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.22 -0.39 -0.15 -0.02 0.00 -1.26 -4.83 107.32 99.46 2klx s GLY 64 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 44.72 45.23 2klx s GLY 64 CO 0.00 0.15 0.52 0.00 0.00 0.00 0.00 173.10 173.77 2klx h ASP 66 N -1.00 0.00 -0.20 0.00 2.03 -1.97 0.55 116.42 115.83 2klx h ASP 66 Ca -0.07 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.04 2klx h ASP 66 Cb 0.91 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.42 2klx h ASP 66 CO -0.04 0.00 -0.63 0.44 -1.03 0.00 0.00 179.24 177.97 2klx h ASP 67 N 0.00 0.91 -0.17 4.15 3.32 -1.97 -0.92 116.42 121.74 2klx h ASP 67 Ca 0.14 -0.59 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 2klx h ASP 67 Cb 0.84 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2klx h ASP 67 CO -0.00 1.34 -0.40 0.17 -1.72 0.00 0.00 179.24 178.63 2klx h LEU 68 N 0.52 0.75 0.12 1.55 8.10 -0.97 -0.88 115.31 124.51 2klx h LEU 68 Ca -0.02 -0.34 -0.01 0.00 0.11 0.00 0.00 57.88 57.62 2klx h LEU 68 Cb 1.26 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2klx h LEU 68 CO 0.14 1.06 -0.06 1.88 -4.11 0.00 0.00 178.44 177.34 2klx h TYR 69 N 0.58 -0.15 0.18 0.17 0.05 -1.37 -1.49 116.97 114.94 2klx h TYR 69 Ca 0.05 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2klx h TYR 69 Cb 0.93 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 2klx h TYR 69 CO 0.05 0.32 -0.12 0.00 -1.05 0.00 0.00 178.16 177.36 2klx h ALA 70 N -0.04 -0.28 -0.34 3.88 0.00 -1.22 -1.22 119.26 120.04 2klx h ALA 70 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2klx h ALA 70 Cb 0.54 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2klx h ALA 70 CO 0.03 -0.67 0.15 -0.07 0.00 0.00 0.00 179.25 178.69 2klx h LEU 71 N -0.30 0.20 -1.08 0.00 3.38 -1.26 0.50 115.31 116.75 2klx h LEU 71 Ca -0.01 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2klx h LEU 71 Cb 0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2klx h LEU 71 CO 0.01 0.15 0.62 -0.08 0.09 0.00 0.00 178.44 179.23 2klx h GLU 72 N 0.31 1.02 0.00 1.13 4.22 -1.08 0.30 114.58 120.48 2klx h GLU 72 Ca 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2klx h GLU 72 Cb 0.08 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2klx h GLU 72 CO -0.12 0.67 -0.33 -1.71 -2.18 0.00 0.00 179.01 175.35 2klx n ASN 73 N -4.53 0.49 0.11 1.04 5.15 -0.48 -3.04 115.26 114.00 2klx n ASN 73 Ca 0.16 0.19 0.06 0.00 -0.60 0.00 0.00 54.58 54.39 2klx n ASN 73 Cb 0.25 -0.15 0.01 0.00 -0.53 0.00 0.00 39.78 39.36 2klx n ASN 73 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2klx h LYS 74 N 0.00 0.00 0.00 1.20 1.57 0.22 -3.47 116.57 116.09 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 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 1.24 0.12 0.00 3.86 0.00 -0.28 -4.99 105.19 105.15 2klx n GLY 75 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.67 -0.27 1.61 4.76 0.82 -3.71 118.16 122.04 2klx n LYS 76 Ca 0.00 0.02 0.05 0.00 -2.87 0.00 0.00 58.31 55.51 2klx n LYS 76 Cb 0.00 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 31.88 2klx n LYS 76 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 2klx h LEU 77 N 0.00 0.42 -0.73 -0.35 8.10 -1.66 -0.56 115.31 120.53 2klx h LEU 77 Ca 0.00 0.09 0.13 0.00 0.11 0.00 0.00 57.88 58.21 2klx h LEU 77 Cb 0.09 0.03 -0.09 0.00 -0.44 0.00 0.00 40.66 40.25 2klx h LEU 77 CO 0.00 0.19 0.28 -2.24 -4.11 0.00 0.00 178.44 172.56 2klx h ASP 78 N 0.55 0.25 0.00 0.17 2.03 -1.89 0.23 116.42 117.77 2klx h ASP 78 Ca 0.42 0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.83 2klx h ASP 78 Cb 0.58 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2klx h ASP 78 CO -0.36 0.10 -0.00 -1.28 -1.03 0.00 0.00 179.24 176.67 2klx h SER 79 N 0.43 -0.00 -0.45 4.15 0.87 -1.42 -1.05 113.55 116.08 2klx h SER 79 Ca 0.39 -0.44 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2klx h SER 79 Cb 0.58 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 2klx h SER 79 CO -0.39 0.43 0.11 -0.07 -0.53 0.00 0.00 176.83 176.38 2klx h LEU 80 N -0.44 0.04 -0.20 2.23 -0.00 -0.65 0.12 115.31 116.42 2klx h LEU 80 Ca -0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 2klx h LEU 80 Cb 0.44 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2klx h LEU 80 CO 0.00 0.06 0.06 -0.07 -0.00 0.00 0.00 178.44 178.49 2klx h LEU 81 N 0.25 0.29 -2.30 1.67 4.07 -0.59 0.26 115.31 118.96 2klx h LEU 81 Ca 0.22 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 2klx h LEU 81 Cb 0.26 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 2klx h LEU 81 CO -0.27 0.42 -0.04 1.56 -1.08 0.00 0.00 178.44 179.03 2klx h GLN 82 N 0.14 0.00 0.00 1.13 1.08 -0.69 -0.22 115.11 116.55 2klx h GLN 82 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2klx h GLN 82 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2klx h GLN 82 CO -0.00 0.04 -0.25 -0.44 -0.95 0.00 0.00 178.83 177.23 2klx h ASP 83 N 0.00 0.00 -0.81 1.46 3.32 -0.29 -3.36 116.42 116.73 2klx h ASP 83 Ca -0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 2klx h ASP 83 Cb 0.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2klx h ASP 83 CO 0.01 0.51 0.58 -0.37 -1.72 0.00 0.00 179.24 178.25 2klx h VAL 84 N -0.78 0.61 0.00 -1.35 -1.51 -0.48 -3.36 116.25 109.39 2klx h VAL 84 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2klx h VAL 84 Cb 0.25 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2klx h VAL 84 CO 0.00 0.01 0.00 1.41 -1.23 0.00 0.00 177.57 177.76