#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 3.02 0.00 1.61 0.04 -1.26 -4.41 135.00 134.01 2klx s PRO -2 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2klx s PRO -2 Cb 0.00 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2klx s PRO -2 CO 0.00 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.21 2klx n GLY -1 N 5.51 0.59 2.66 0.56 0.00 -1.26 -5.13 105.19 108.12 2klx n GLY -1 Ca 0.21 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.47 0.17 1.61 0.15 -1.26 -5.15 113.70 110.70 2klx s SER 0 Ca 0.00 -0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.62 2klx s SER 0 Cb 0.00 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 2klx s SER 0 CO 0.00 -0.27 -0.06 -0.04 1.20 0.00 0.00 173.24 174.07 2klx s MET 1 N 2.15 2.20 0.57 5.44 -1.94 -1.26 -5.14 119.30 121.31 2klx s MET 1 Ca 0.04 -1.18 0.09 0.00 -1.71 0.00 0.00 55.69 52.93 2klx s MET 1 Cb -0.13 -2.25 0.08 0.00 2.01 0.00 0.00 34.83 34.54 2klx s MET 1 CO -0.05 0.45 0.79 0.15 -0.01 0.00 0.00 175.02 176.35 2klx s LYS 2 N -2.80 2.32 0.04 2.03 3.01 -1.12 -5.10 119.74 118.11 2klx s LYS 2 Ca 0.25 -1.59 0.04 0.00 -1.01 0.00 0.00 55.97 53.66 2klx s LYS 2 Cb -0.09 -2.64 -0.02 0.00 -1.01 0.00 0.00 37.83 34.07 2klx s LYS 2 CO 0.16 -0.85 -0.11 -1.83 0.51 0.00 0.00 175.35 173.24 2klx s GLU 3 N -4.67 0.74 -0.06 1.68 -1.05 -1.25 -4.58 118.70 109.51 2klx s GLU 3 Ca 0.62 -0.68 0.04 0.00 -0.15 0.00 0.00 54.97 54.79 2klx s GLU 3 Cb -0.06 -0.68 -0.02 0.00 -0.44 0.00 0.00 34.13 32.93 2klx s GLU 3 CO 0.39 0.16 -0.16 -1.50 0.95 0.00 0.00 175.26 175.10 2klx s ILE 4 N -0.91 2.85 0.07 1.83 -1.16 -1.24 -0.74 121.20 121.91 2klx s ILE 4 Ca -0.02 -0.79 0.06 0.00 -0.51 0.00 0.00 60.65 59.39 2klx s ILE 4 Cb -0.08 -2.11 -0.03 0.00 0.61 0.00 0.00 42.46 40.85 2klx s ILE 4 CO 0.01 0.58 -0.15 -0.63 -2.81 0.00 0.00 174.94 171.93 2klx s ILE 5 N -0.47 1.21 -0.19 2.00 1.01 -0.12 -0.97 121.20 123.67 2klx s ILE 5 Ca 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.44 2klx s ILE 5 Cb -0.12 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.26 2klx s ILE 5 CO 0.02 -0.14 -0.08 -1.48 0.00 0.00 0.00 174.94 173.25 2klx s LEU 6 N -1.63 2.11 -0.37 2.97 2.34 0.03 0.06 118.68 124.19 2klx s LEU 6 Ca 0.00 -0.85 -0.16 0.00 0.06 0.00 0.00 54.13 53.18 2klx s LEU 6 Cb -0.10 -1.13 0.00 0.00 -0.56 0.00 0.00 46.19 44.40 2klx s LEU 6 CO 0.02 -0.16 0.40 -0.31 -1.06 0.00 0.00 176.35 175.24 2klx s TYR 7 N 1.47 3.19 -0.00 3.48 1.51 0.31 -0.46 117.35 126.84 2klx s TYR 7 Ca -0.01 -0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 2klx s TYR 7 Cb -0.16 -2.77 0.09 0.00 -0.11 0.00 0.00 41.96 39.01 2klx s TYR 7 CO -0.08 -0.54 1.27 -0.08 -1.11 0.00 0.00 175.55 175.01 2klx s THR 8 N 2.08 0.00 0.42 -0.71 -1.32 -0.66 -0.61 115.64 114.85 2klx s THR 8 Ca 0.12 -0.19 -0.07 0.00 -1.21 0.00 0.00 61.69 60.33 2klx s THR 8 Cb -0.17 -2.98 -0.05 0.00 -1.51 0.00 0.00 72.50 67.79 2klx s THR 8 CO 0.12 0.00 0.75 0.00 -2.21 0.00 0.00 174.62 173.28 2klx s ARG 9 N -2.02 3.65 0.35 7.08 1.70 -1.26 -0.02 118.95 128.43 2klx s ARG 9 Ca 0.29 0.29 0.27 0.00 -0.47 0.00 0.00 55.73 56.11 2klx s ARG 9 Cb -0.01 -2.42 1.12 0.00 -0.57 0.00 0.00 34.95 33.08 2klx s ARG 9 CO -0.00 -0.08 1.80 -1.00 -1.08 0.00 0.00 175.30 174.94 2klx h PRO 10 N 0.84 0.00 -1.17 3.89 0.13 -1.97 -3.02 132.00 130.70 2klx h PRO 10 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 2klx h PRO 10 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 2klx h PRO 10 CO 0.63 0.00 0.60 0.27 -0.23 0.00 0.00 178.00 179.27 2klx n ASN 11 N -2.51 5.92 -4.20 1.44 6.94 -1.26 -4.82 115.26 116.77 2klx n ASN 11 Ca 0.02 -3.35 -0.41 0.00 -0.02 0.00 0.00 54.58 50.82 2klx n ASN 11 Cb 0.25 -0.93 -0.07 0.00 -2.36 0.00 0.00 39.78 36.67 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2klx h PRO 13 N 7.82 0.00 0.00 0.00 0.13 -1.92 -2.59 132.00 135.44 2klx h PRO 13 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2klx h PRO 13 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2klx h PRO 13 CO 0.79 0.37 0.00 0.66 -0.23 0.00 0.00 178.00 179.59 2klx n TYR 14 N -3.75 0.00 0.22 1.56 4.02 -1.26 -2.50 117.16 115.45 2klx n TYR 14 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.99 2klx n TYR 14 Cb 0.46 -0.48 0.35 0.00 -0.02 0.00 0.00 39.34 39.64 2klx n TYR 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2klx h LYS 16 N 0.00 0.41 -0.21 0.00 1.57 -1.66 0.17 116.57 116.84 2klx h LYS 16 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2klx h LYS 16 Cb 0.88 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2klx h LYS 16 CO 0.02 0.27 0.10 0.00 -0.57 0.00 0.00 179.45 179.26 2klx h ARG 17 N 0.42 0.31 0.77 3.15 3.08 -1.81 -1.09 114.38 119.20 2klx h ARG 17 Ca 0.67 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.63 2klx h ARG 17 Cb 1.54 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 31.55 2klx h ARG 17 CO -0.44 0.34 -0.37 0.00 -1.07 0.00 0.00 179.97 178.42 2klx h ALA 18 N 0.95 -1.04 -0.81 0.04 0.00 -0.92 -1.21 119.26 116.27 2klx h ALA 18 Ca 0.07 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2klx h ALA 18 Cb 0.14 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2klx h ALA 18 CO -0.01 -1.09 0.54 0.07 0.00 0.00 0.00 179.25 178.77 2klx h ARG 19 N -1.04 0.43 -0.44 0.00 0.11 -1.29 -0.22 114.38 111.93 2klx h ARG 19 Ca -0.11 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.85 2klx h ARG 19 Cb 0.80 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2klx h ARG 19 CO 0.17 0.29 -0.10 0.22 0.10 0.00 0.00 179.97 180.65 2klx h ASP 20 N 0.45 0.85 0.13 0.08 1.82 -0.82 -0.95 116.42 117.97 2klx h ASP 20 Ca 0.41 -0.36 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2klx h ASP 20 Cb 0.93 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2klx h ASP 20 CO -0.15 1.01 -0.06 0.25 -1.61 0.00 0.00 179.24 178.68 2klx h LEU 21 N 0.68 -0.15 0.53 2.28 6.46 0.17 0.24 115.31 125.52 2klx h LEU 21 Ca 0.11 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2klx h LEU 21 Cb 0.63 0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2klx h LEU 21 CO 0.04 -0.06 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.48 2klx h LEU 22 N -0.23 -0.60 -1.03 2.25 3.38 -1.38 -1.47 115.31 116.22 2klx h LEU 22 Ca -0.02 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2klx h LEU 22 Cb 0.18 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2klx h LEU 22 CO 0.03 -0.37 0.63 -0.78 0.09 0.00 0.00 178.44 178.05 2klx h ASP 23 N -0.79 0.95 -0.84 -0.43 1.82 -1.17 -0.26 116.42 115.69 2klx h ASP 23 Ca -0.07 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 2klx h ASP 23 Cb 0.58 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.39 2klx h ASP 23 CO 0.12 0.54 0.41 0.50 -1.61 0.00 0.00 179.24 179.20 2klx h LYS 24 N 1.04 1.22 -0.08 0.28 3.64 -0.31 -2.47 116.57 119.89 2klx h LYS 24 Ca 0.47 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 2klx h LYS 24 Cb 0.39 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2klx h LYS 24 CO -0.23 0.93 -0.55 0.87 -2.27 0.00 0.00 179.45 178.20 2klx h LYS 25 N 1.20 0.23 -0.35 1.90 6.56 -0.12 -3.48 116.57 122.51 2klx h LYS 25 Ca 0.29 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2klx h LYS 25 Cb 0.12 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 2klx h LYS 25 CO -0.04 0.72 0.00 0.41 -2.06 0.00 0.00 179.45 178.48 2klx n GLY 26 N 0.13 0.51 3.58 3.86 0.00 -0.24 -5.11 105.19 107.93 2klx n GLY 26 Ca -0.02 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.38 0.93 -0.26 1.61 -7.23 -1.15 -5.04 120.40 107.88 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 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 2klx s VAL 27 CO 0.00 0.00 0.05 -0.54 -0.31 0.00 0.00 175.10 174.30 2klx s LYS 28 N -3.78 3.33 0.07 4.82 -0.14 -1.26 -4.65 119.74 118.12 2klx s LYS 28 Ca 0.21 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 54.19 2klx s LYS 28 Cb 0.04 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2klx s LYS 28 CO 0.11 -0.31 -0.09 1.52 -0.76 0.00 0.00 175.35 175.83 2klx s TYR 29 N 1.53 2.79 -0.20 3.18 -0.85 -1.26 -3.69 117.35 118.85 2klx s TYR 29 Ca 0.04 -0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.45 2klx s TYR 29 Cb -0.16 -1.49 -0.00 0.00 0.38 0.00 0.00 41.96 40.69 2klx s TYR 29 CO 0.01 0.40 -0.10 0.99 -1.52 0.00 0.00 175.55 175.34 2klx s THR 30 N -1.15 2.98 -0.05 -3.49 2.01 -0.14 -5.00 115.64 110.81 2klx s THR 30 Ca 0.20 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 2klx s THR 30 Cb -0.11 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2klx s THR 30 CO 0.12 0.47 0.74 -0.62 -0.69 0.00 0.00 174.62 174.63 2klx s ASP 31 N 1.26 7.05 -0.19 3.53 2.15 -1.26 -0.79 116.67 128.41 2klx s ASP 31 Ca 0.03 1.26 -0.01 0.00 0.43 0.00 0.00 52.55 54.26 2klx s ASP 31 Cb -0.14 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2klx s ASP 31 CO -0.04 -0.12 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.08 2klx s ILE 32 N 0.74 2.70 0.39 4.11 -1.09 0.39 -4.94 121.20 123.51 2klx s ILE 32 Ca 0.39 -0.73 -0.25 0.00 -2.23 0.00 0.00 60.65 57.83 2klx s ILE 32 Cb -0.18 -2.18 -0.11 0.00 -1.58 0.00 0.00 42.46 38.40 2klx s ILE 32 CO 0.20 0.49 1.00 -0.67 -1.23 0.00 0.00 174.94 174.73 2klx n ASP 33 N 4.58 1.24 0.25 3.58 2.03 -1.26 -1.65 116.55 125.33 2klx n ASP 33 Ca -0.20 1.06 0.17 0.00 0.52 0.00 0.00 54.79 56.35 2klx n ASP 33 Cb 0.51 -1.34 0.89 0.00 -0.72 0.00 0.00 41.12 40.46 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 1.64 1.00 -0.96 -1.67 0.00 -0.78 -3.40 119.26 115.08 2klx h ALA 34 Ca -0.43 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 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 1.52 0.45 0.00 0.00 0.00 179.25 181.80 2klx n SER 35 N -2.71 1.79 0.27 0.00 2.88 -1.26 -4.77 113.62 109.82 2klx n SER 35 Ca -0.02 0.19 0.16 0.00 -1.33 0.00 0.00 58.87 57.87 2klx n SER 35 Cb 0.08 -1.26 0.89 0.00 -0.75 0.00 0.00 64.21 63.18 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 7.38 0.50 -0.99 2.46 1.35 -1.95 0.26 112.91 121.92 2klx h THR 36 Ca -0.22 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 65.92 2klx h THR 36 Cb 1.31 0.95 -0.05 0.00 -1.73 0.00 0.00 68.15 68.63 2klx h THR 36 CO 1.12 0.00 0.69 0.77 -0.25 0.00 0.00 175.52 177.85 2klx h SER 37 N 0.00 0.11 0.00 5.36 4.64 -1.95 -0.58 113.55 121.14 2klx h SER 37 Ca 0.03 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2klx h SER 37 Cb 0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2klx h SER 37 CO -0.00 0.03 -0.87 0.18 -0.87 0.00 0.00 176.83 175.30 2klx n LEU 38 N -4.33 1.14 -0.21 5.97 7.99 -0.71 -4.64 117.00 122.20 2klx n LEU 38 Ca 0.21 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 56.14 2klx n LEU 38 Cb 0.99 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 44.33 2klx n LEU 38 CO 0.36 0.19 1.01 -0.09 -1.51 0.00 0.00 177.39 177.35 2klx h ARG 39 N 0.00 0.88 -0.80 3.23 1.12 -0.45 -1.26 114.38 117.10 2klx h ARG 39 Ca 0.00 -0.14 0.02 0.00 -1.11 0.00 0.00 59.98 58.75 2klx h ARG 39 Cb 0.87 -0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 30.64 2klx h ARG 39 CO 0.00 0.73 0.52 0.37 -3.11 0.00 0.00 179.97 178.48 2klx h GLN 40 N 0.83 1.01 -0.25 0.20 4.15 -1.29 0.23 115.11 119.99 2klx h GLN 40 Ca 0.20 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 2klx h GLN 40 Cb 0.15 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2klx h GLN 40 CO -0.02 0.67 -0.05 0.93 -1.93 0.00 0.00 178.83 178.43 2klx h GLU 41 N 1.04 0.48 0.11 1.69 4.39 -1.64 0.21 114.58 120.86 2klx h GLU 41 Ca 0.31 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2klx h GLU 41 Cb -0.05 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2klx h GLU 41 CO -0.09 0.69 -0.05 0.52 -1.16 0.00 0.00 179.01 178.92 2klx h MET 42 N 0.23 -0.14 -0.02 2.33 2.86 -0.91 -0.23 114.93 119.06 2klx h MET 42 Ca 0.07 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2klx h MET 42 Cb 0.51 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2klx h MET 42 CO 0.02 0.07 -0.17 -0.24 1.06 0.00 0.00 176.91 177.66 2klx h VAL 43 N -0.33 1.13 -0.09 -2.22 3.04 -0.58 0.25 116.25 117.46 2klx h VAL 43 Ca -0.01 -0.62 -0.08 0.00 -1.01 0.00 0.00 66.70 64.97 2klx h VAL 43 Cb 0.27 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2klx h VAL 43 CO 0.02 0.18 -0.25 -0.61 -1.01 0.00 0.00 177.57 175.90 2klx h GLN 44 N 0.03 0.33 0.00 4.17 4.15 -0.70 0.25 115.11 123.34 2klx h GLN 44 Ca 0.01 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2klx h GLN 44 Cb 0.32 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2klx h GLN 44 CO 0.02 0.85 0.00 -2.13 -1.93 0.00 0.00 178.83 175.64 2klx n ARG 45 N -4.48 0.19 -0.01 1.69 3.00 -0.12 0.55 116.66 117.48 2klx n ARG 45 Ca -0.08 0.18 -0.21 0.00 -0.00 0.00 0.00 57.85 57.74 2klx n ARG 45 Cb 0.45 -1.73 -0.14 0.00 0.00 0.00 0.00 32.46 31.04 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx n ALA 46 N -1.71 0.90 -0.12 5.13 0.00 0.85 -4.67 120.51 120.89 2klx n ALA 46 Ca 0.06 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.66 2klx n ALA 46 Cb 0.39 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 2klx n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2klx n ASN 47 N -3.54 1.78 0.00 0.00 5.15 0.07 -4.88 115.26 113.84 2klx n ASN 47 Ca -0.33 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2klx n ASN 47 Cb 1.02 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2klx n GLY 48 N 1.68 4.70 3.01 8.20 0.00 0.19 -5.02 105.19 117.95 2klx n GLY 48 Ca -0.45 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 44.77 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 0.62 -0.05 1.61 3.52 -1.24 -4.78 118.95 118.62 2klx s ARG 49 Ca 0.00 -0.26 -0.12 0.00 -0.13 0.00 0.00 55.73 55.21 2klx s ARG 49 Cb 0.00 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2klx s ARG 49 CO 0.00 -0.87 0.29 -0.80 -0.81 0.00 0.00 175.30 173.10 2klx s ASN 50 N 1.76 -0.22 -0.33 -2.12 0.01 -1.26 -5.02 114.94 107.77 2klx s ASN 50 Ca 0.17 0.26 0.17 0.00 -0.71 0.00 0.00 52.86 52.75 2klx s ASN 50 Cb -0.01 0.43 0.45 0.00 0.41 0.00 0.00 41.25 42.53 2klx s ASN 50 CO -0.09 -0.30 1.04 1.07 -1.51 0.00 0.00 177.10 177.30 2klx n THR 51 N 1.95 0.85 -3.71 1.60 5.66 -1.26 -4.17 114.28 115.20 2klx n THR 51 Ca -0.18 -2.77 -0.13 0.00 -3.05 0.00 0.00 64.05 57.92 2klx n THR 51 Cb 0.57 0.79 -0.07 0.00 -1.55 0.00 0.00 70.33 70.06 2klx n THR 51 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2klx s PHE 52 N -2.63 -0.22 0.27 1.09 -0.12 -1.26 -5.04 117.98 110.07 2klx s PHE 52 Ca 0.26 0.23 -0.29 0.00 -0.05 0.00 0.00 56.93 57.08 2klx s PHE 52 Cb 0.44 0.15 -0.10 0.00 -0.63 0.00 0.00 43.02 42.89 2klx s PHE 52 CO 0.01 -0.49 1.26 -1.25 -0.05 0.00 0.00 175.22 174.69 2klx s PRO 53 N -1.99 4.44 -0.03 1.99 0.04 -1.26 -5.00 135.00 133.18 2klx s PRO 53 Ca -0.09 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2klx s PRO 53 Cb -0.02 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.48 2klx s PRO 53 CO 0.01 -0.11 1.31 1.14 0.04 0.00 0.00 177.00 179.39 2klx s GLN 54 N -1.12 0.31 -0.13 4.56 0.00 0.22 -4.88 119.66 118.62 2klx s GLN 54 Ca 0.50 -0.19 -0.14 0.00 -0.00 0.00 0.00 55.36 55.53 2klx s GLN 54 Cb -0.37 0.09 -0.05 0.00 0.00 0.00 0.00 33.01 32.68 2klx s GLN 54 CO 0.45 -0.14 0.31 0.42 0.00 0.00 0.00 175.29 176.33 2klx s ILE 55 N -2.07 5.27 0.00 3.63 1.09 -1.26 -0.53 121.20 127.33 2klx s ILE 55 Ca 0.27 0.60 0.05 0.00 -1.10 0.00 0.00 60.65 60.47 2klx s ILE 55 Cb 0.01 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 2klx s ILE 55 CO -0.02 0.43 -0.15 0.12 -0.10 0.00 0.00 174.94 175.22 2klx s PHE 56 N 0.15 2.65 -0.21 3.97 2.19 0.11 -0.58 117.98 126.25 2klx s PHE 56 Ca 0.18 -0.20 -0.04 0.00 0.33 0.00 0.00 56.93 57.20 2klx s PHE 56 Cb -0.14 -1.54 0.07 0.00 -1.31 0.00 0.00 43.02 40.10 2klx s PHE 56 CO 0.06 0.24 0.09 0.96 1.83 0.00 0.00 175.22 178.40 2klx s ILE 57 N -0.86 0.02 0.00 3.12 -0.00 0.75 -0.94 121.20 123.29 2klx s ILE 57 Ca 0.14 -0.40 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 2klx s ILE 57 Cb -0.11 -0.77 0.00 0.00 -0.00 0.00 0.00 42.46 41.59 2klx s ILE 57 CO 0.04 -0.40 0.00 0.61 -0.00 0.00 0.00 174.94 175.19 2klx n GLY 58 N 5.23 0.56 0.63 6.27 0.00 0.09 -1.12 105.19 116.84 2klx n GLY 58 Ca -0.07 0.57 0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 4.22 0.97 -4.01 1.61 8.00 -1.26 -4.94 116.55 121.14 2klx n ASP 59 Ca 0.00 -2.48 -0.19 0.00 0.71 0.00 0.00 54.79 52.83 2klx n ASP 59 Cb 0.00 -0.31 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 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 -1.05 0.85 -0.26 1.24 5.04 -0.28 -4.97 117.35 117.92 2klx s TYR 60 Ca 0.19 -0.18 -0.05 0.00 -2.44 0.00 0.00 57.07 54.60 2klx s TYR 60 Cb 0.19 -0.57 -0.00 0.00 0.35 0.00 0.00 41.96 41.94 2klx s TYR 60 CO -0.04 -0.04 0.02 -3.38 -1.34 0.00 0.00 175.55 170.77 2klx s HIS 61 N -0.07 3.06 0.00 4.97 -3.43 -1.26 -0.18 115.29 118.38 2klx s HIS 61 Ca 0.01 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.32 2klx s HIS 61 Cb -0.05 -2.17 0.00 0.00 -1.43 0.00 0.00 32.58 28.92 2klx s HIS 61 CO -0.00 -0.55 0.70 0.28 -2.00 0.00 0.00 174.74 173.17 2klx n VAL 62 N 4.83 0.00 0.00 -5.38 0.31 0.25 -4.99 118.33 113.34 2klx n VAL 62 Ca -0.16 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 2klx n VAL 62 Cb 0.49 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 -0.60 3.80 3.21 2.92 0.00 -1.26 -4.97 105.19 108.30 2klx n GLY 63 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 0.91 -0.03 -0.02 0.00 -1.26 -4.59 107.32 102.33 2klx s GLY 64 Ca 0.00 -1.41 -0.23 0.00 0.00 0.00 0.00 44.72 43.08 2klx s GLY 64 CO 0.00 -1.51 1.02 0.00 0.00 0.00 0.00 173.10 172.61 2klx h ASP 66 N -0.78 0.00 -0.21 0.00 3.32 -1.97 -1.05 116.42 115.73 2klx h ASP 66 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2klx h ASP 66 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2klx h ASP 66 CO 0.04 0.00 0.02 0.44 -1.72 0.00 0.00 179.24 178.02 2klx h ASP 67 N 0.00 0.34 -0.09 6.45 5.19 -1.96 0.25 116.42 126.61 2klx h ASP 67 Ca 0.11 -0.28 -0.14 0.00 -0.62 0.00 0.00 57.03 56.10 2klx h ASP 67 Cb 0.64 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2klx h ASP 67 CO -0.00 0.54 -0.42 0.17 -3.12 0.00 0.00 179.24 176.41 2klx h LEU 68 N 0.13 0.66 0.17 1.55 8.10 -1.20 -0.81 115.31 123.91 2klx h LEU 68 Ca 0.06 -0.30 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 2klx h LEU 68 Cb 0.35 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 2klx h LEU 68 CO 0.01 1.00 -0.08 1.88 -4.11 0.00 0.00 178.44 177.13 2klx h TYR 69 N 0.51 -0.21 0.24 0.17 0.05 -1.31 -1.35 116.97 115.07 2klx h TYR 69 Ca 0.04 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2klx h TYR 69 Cb 0.94 0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2klx h TYR 69 CO 0.04 0.21 -0.12 0.00 -1.05 0.00 0.00 178.16 177.24 2klx h ALA 70 N -0.11 -0.33 -0.32 3.88 0.00 -0.55 -1.41 119.26 120.42 2klx h ALA 70 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2klx h ALA 70 Cb 0.52 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2klx h ALA 70 CO 0.04 -0.69 0.08 -0.07 0.00 0.00 0.00 179.25 178.61 2klx h LEU 71 N -0.33 0.04 -0.99 0.00 3.38 -1.25 0.36 115.31 116.52 2klx h LEU 71 Ca -0.03 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.07 2klx h LEU 71 Cb 0.26 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2klx h LEU 71 CO 0.05 0.06 0.63 -0.08 0.09 0.00 0.00 178.44 179.20 2klx h GLU 72 N 0.20 1.06 0.00 1.13 4.22 -1.10 0.38 114.58 120.47 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 0.15 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2klx h GLU 72 CO -0.18 0.70 0.00 -0.97 -2.18 0.00 0.00 179.01 176.38 2klx h ASN 73 N 1.09 0.00 1.61 1.04 -1.24 -0.45 -2.87 115.58 114.76 2klx h ASN 73 Ca 0.45 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.41 2klx h ASN 73 Cb 0.29 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2klx h ASN 73 CO -0.21 0.00 -0.40 0.11 -1.29 0.00 0.00 177.43 175.64 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.17 -3.47 116.57 121.74 2klx h LYS 74 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2klx h LYS 74 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2klx h LYS 74 CO 0.00 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.01 2klx n GLY 75 N 1.18 0.12 0.00 3.86 0.00 -0.23 -4.99 105.19 105.13 2klx n GLY 75 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2klx n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2klx n LYS 76 N 0.00 0.27 -0.30 1.61 3.00 0.11 -3.55 118.16 119.30 2klx n LYS 76 Ca 0.00 0.10 0.13 0.00 -0.00 0.00 0.00 58.31 58.54 2klx n LYS 76 Cb 0.00 -1.50 0.30 0.00 0.00 0.00 0.00 35.03 33.83 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2klx h LEU 77 N 0.00 0.33 -0.20 3.14 6.46 -1.65 0.38 115.31 123.77 2klx h LEU 77 Ca 0.00 0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 2klx h LEU 77 Cb 0.19 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2klx h LEU 77 CO 0.00 0.00 -0.08 -0.78 -0.62 0.00 0.00 178.44 176.96 2klx h ASP 78 N 0.40 -0.28 0.07 1.25 3.58 -1.88 0.76 116.42 120.33 2klx h ASP 78 Ca 0.55 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 58.07 2klx h ASP 78 Cb 1.04 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2klx h ASP 78 CO -0.52 -0.11 -0.03 -1.28 -2.88 0.00 0.00 179.24 174.42 2klx h SER 79 N -0.05 -0.08 -0.73 2.28 0.87 -1.27 -1.50 113.55 113.08 2klx h SER 79 Ca 0.10 -0.15 0.14 0.00 -1.23 0.00 0.00 61.79 60.65 2klx h SER 79 Cb 0.21 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 2klx h SER 79 CO -0.23 0.11 0.49 -0.07 -0.53 0.00 0.00 176.83 176.59 2klx h LEU 80 N -0.26 0.40 0.15 2.23 -0.00 -0.83 0.46 115.31 117.46 2klx h LEU 80 Ca -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2klx h LEU 80 Cb 0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2klx h LEU 80 CO 0.02 0.22 -0.07 -0.07 -0.00 0.00 0.00 178.44 178.53 2klx h LEU 81 N 0.44 -0.17 -2.43 1.67 4.07 -0.53 -0.21 115.31 118.15 2klx h LEU 81 Ca 0.35 -0.37 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2klx h LEU 81 Cb 0.77 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 2klx h LEU 81 CO -0.11 0.34 -0.01 -0.61 -1.08 0.00 0.00 178.44 176.96 2klx h GLN 82 N -0.74 0.00 0.00 1.13 4.15 -0.70 0.25 115.11 119.20 2klx h GLN 82 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2klx h GLN 82 Cb 0.52 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 2klx h GLN 82 CO 0.03 0.01 -0.07 -0.44 -1.93 0.00 0.00 178.83 176.44 2klx h ASP 83 N 0.00 0.00 0.18 -0.69 3.32 -0.87 -3.34 116.42 115.02 2klx h ASP 83 Ca -0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2klx h ASP 83 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2klx h ASP 83 CO 0.00 0.57 -0.04 -0.37 -1.72 0.00 0.00 179.24 177.68 2klx h VAL 84 N -1.00 0.37 -0.03 -1.35 -1.51 -0.91 -3.34 116.25 108.49 2klx h VAL 84 Ca -0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2klx h VAL 84 Cb 0.12 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2klx h VAL 84 CO -0.00 0.04 0.00 1.57 -1.23 0.00 0.00 177.57 177.94