#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 -2.93 0.00 1.61 -0.04 -1.26 -5.09 135.00 127.28 2klx n PRO -2 Ca 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2klx n PRO -2 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -4.02 5.55 3.01 0.55 0.00 -1.26 -5.16 105.19 103.86 2klx n GLY -1 Ca 0.14 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 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 1.00 1.53 -0.23 1.61 0.01 -1.26 -5.13 113.70 111.24 2klx s SER 0 Ca 0.00 -0.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 2klx s SER 0 Cb 0.00 -0.63 0.16 0.00 0.21 0.00 0.00 66.02 65.76 2klx s SER 0 CO 0.00 0.04 1.18 0.00 0.41 0.00 0.00 173.24 174.87 2klx s MET 1 N 0.55 0.33 1.01 12.44 0.23 -1.26 -5.16 119.30 127.43 2klx s MET 1 Ca -0.11 0.12 -0.17 0.00 -1.03 0.00 0.00 55.69 54.50 2klx s MET 1 Cb -0.14 0.16 0.22 0.00 -1.53 0.00 0.00 34.83 33.54 2klx s MET 1 CO 0.02 -0.10 1.29 0.15 -2.03 0.00 0.00 175.02 174.36 2klx s LYS 2 N -0.89 0.28 -0.01 3.16 -0.14 -0.60 -5.01 119.74 116.53 2klx s LYS 2 Ca 0.04 -0.36 -0.04 0.00 -1.36 0.00 0.00 55.97 54.24 2klx s LYS 2 Cb -0.01 -1.80 -0.00 0.00 -1.68 0.00 0.00 37.83 34.34 2klx s LYS 2 CO -0.04 -2.66 0.09 -1.83 -0.76 0.00 0.00 175.35 170.14 2klx s GLU 3 N -5.81 0.33 -0.10 1.68 -1.05 -0.73 -4.16 118.70 108.87 2klx s GLU 3 Ca 0.74 -0.29 -0.01 0.00 -0.15 0.00 0.00 54.97 55.25 2klx s GLU 3 Cb -0.05 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 2klx s GLU 3 CO 0.54 -0.07 -0.03 -1.50 0.95 0.00 0.00 175.26 175.15 2klx s ILE 4 N -0.98 4.02 0.06 1.83 -1.16 -1.25 -0.94 121.20 122.78 2klx s ILE 4 Ca -0.11 -0.35 0.03 0.00 -0.51 0.00 0.00 60.65 59.72 2klx s ILE 4 Cb -0.06 -2.69 -0.03 0.00 0.61 0.00 0.00 42.46 40.29 2klx s ILE 4 CO 0.00 0.58 -0.10 -0.63 -2.81 0.00 0.00 174.94 171.98 2klx s ILE 5 N -0.57 0.73 -0.20 2.00 1.01 0.77 -1.48 121.20 123.46 2klx s ILE 5 Ca 0.09 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2klx s ILE 5 Cb -0.12 -0.82 0.04 0.00 0.01 0.00 0.00 42.46 41.58 2klx s ILE 5 CO 0.02 -0.36 -0.09 -1.48 0.00 0.00 0.00 174.94 173.03 2klx s LEU 6 N -1.72 2.25 -0.47 2.97 2.34 -0.46 0.07 118.68 123.66 2klx s LEU 6 Ca -0.06 -0.91 -0.18 0.00 0.06 0.00 0.00 54.13 53.04 2klx s LEU 6 Cb -0.09 -1.19 0.04 0.00 -0.56 0.00 0.00 46.19 44.39 2klx s LEU 6 CO 0.01 -0.16 0.53 -0.31 -1.06 0.00 0.00 176.35 175.36 2klx s TYR 7 N 1.42 3.12 -0.08 3.48 2.02 -0.30 -0.58 117.35 126.42 2klx s TYR 7 Ca -0.02 -0.49 -0.28 0.00 -0.37 0.00 0.00 57.07 55.91 2klx s TYR 7 Cb -0.16 -3.25 0.09 0.00 -0.40 0.00 0.00 41.96 38.23 2klx s TYR 7 CO -0.08 -0.87 1.23 0.25 -1.57 0.00 0.00 175.55 174.51 2klx n THR 8 N 5.52 0.00 -2.86 -0.71 -2.24 -0.66 -2.47 114.28 110.85 2klx n THR 8 Ca -0.07 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 2klx n THR 8 Cb 0.46 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.00 3.71 0.00 -0.78 3.03 -1.26 -0.24 118.95 121.40 2klx s ARG 9 Ca 0.29 0.36 0.14 0.00 2.03 0.00 0.00 55.73 58.56 2klx s ARG 9 Cb -0.00 -2.42 0.67 0.00 -1.03 0.00 0.00 34.95 32.18 2klx s ARG 9 CO -0.03 -0.05 1.43 -0.35 -1.13 0.00 0.00 175.30 175.18 2klx n PRO 10 N -1.47 0.10 -1.81 3.89 -0.04 -1.26 -3.62 135.00 130.79 2klx n PRO 10 Ca 0.02 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.34 2klx n PRO 10 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 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 7.12 -3.91 3.54 2.85 -1.26 -4.84 115.26 117.36 2klx n ASN 11 Ca 0.05 -3.39 -0.30 0.00 -0.11 0.00 0.00 54.58 50.82 2klx n ASN 11 Cb 0.14 -1.21 -0.15 0.00 1.24 0.00 0.00 39.78 39.80 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 4.27 0.13 0.04 0.00 -0.04 -1.26 -2.12 135.00 136.02 2klx n PRO 13 Ca 0.03 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 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 -1.37 0.44 0.14 0.54 4.01 -1.26 -4.15 117.16 115.52 2klx n TYR 14 Ca 0.06 0.13 0.19 0.00 -0.16 0.00 0.00 57.90 58.11 2klx n TYR 14 Cb 0.14 -0.73 0.78 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.46 0.05 0.00 1.79 -1.76 -0.37 116.57 116.74 2klx h LYS 16 Ca 0.14 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2klx h LYS 16 Cb 0.80 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2klx h LYS 16 CO -0.00 0.30 -0.02 0.00 -1.08 0.00 0.00 179.45 178.65 2klx h ARG 17 N 0.47 -0.06 0.40 3.15 2.47 -1.50 0.94 114.38 120.25 2klx h ARG 17 Ca 0.56 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.27 2klx h ARG 17 Cb 1.30 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 2klx h ARG 17 CO -0.29 0.15 -0.26 0.00 0.56 0.00 0.00 179.97 180.13 2klx h ALA 18 N 0.67 -0.64 -0.11 0.04 0.00 -1.26 -0.80 119.26 117.17 2klx h ALA 18 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2klx h ALA 18 Cb 0.24 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2klx h ALA 18 CO 0.01 -0.87 0.04 0.07 0.00 0.00 0.00 179.25 178.49 2klx h ARG 19 N -0.64 0.14 -0.05 0.00 0.11 -1.24 -1.89 114.38 110.81 2klx h ARG 19 Ca -0.04 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2klx h ARG 19 Cb 0.54 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.58 2klx h ARG 19 CO 0.03 0.13 -0.00 0.22 0.10 0.00 0.00 179.97 180.44 2klx h ASP 20 N 0.14 0.09 0.23 0.08 3.58 -0.25 0.41 116.42 120.70 2klx h ASP 20 Ca 0.04 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2klx h ASP 20 Cb 0.04 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2klx h ASP 20 CO -0.00 0.40 -0.11 0.25 -2.88 0.00 0.00 179.24 176.90 2klx h LEU 21 N -0.21 -0.26 0.59 2.28 6.46 -0.75 0.77 115.31 124.18 2klx h LEU 21 Ca 0.01 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2klx h LEU 21 Cb 0.35 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2klx h LEU 21 CO 0.00 -0.13 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.30 2klx h LEU 22 N -0.37 -0.78 -2.01 2.25 3.38 -1.40 -1.40 115.31 114.97 2klx h LEU 22 Ca -0.03 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2klx h LEU 22 Cb 0.29 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2klx h LEU 22 CO 0.05 -0.52 0.28 -0.78 0.09 0.00 0.00 178.44 177.56 2klx h ASP 23 N -0.84 0.00 -0.35 -0.43 3.58 -0.91 -0.49 116.42 116.98 2klx h ASP 23 Ca -0.08 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.22 2klx h ASP 23 Cb 0.67 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 2klx h ASP 23 CO 0.10 0.00 -0.39 0.50 -2.88 0.00 0.00 179.24 176.57 2klx h LYS 24 N 0.00 0.88 -0.06 0.28 3.11 -0.22 -3.09 116.57 117.47 2klx h LYS 24 Ca 0.18 -0.48 -0.13 0.00 -2.81 0.00 0.00 60.65 57.42 2klx h LYS 24 Cb 0.75 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2klx h LYS 24 CO -0.00 1.12 -0.54 0.87 -2.81 0.00 0.00 179.45 178.09 2klx h LYS 25 N 0.68 0.17 0.00 1.90 1.79 -0.06 -3.48 116.57 117.57 2klx h LYS 25 Ca 0.05 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2klx h LYS 25 Cb 0.98 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2klx h LYS 25 CO 0.09 0.67 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 2klx n GLY 26 N 0.09 0.68 3.33 3.86 0.00 -0.54 -5.12 105.19 107.49 2klx n GLY 26 Ca -0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.19 0.98 -0.40 1.61 -7.23 -1.17 -5.03 120.40 107.98 2klx s VAL 27 Ca 0.00 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 2klx s VAL 27 Cb 0.00 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.62 2klx s VAL 27 CO 0.00 -0.29 0.23 -0.54 -0.31 0.00 0.00 175.10 174.19 2klx s LYS 28 N -3.88 2.72 0.07 4.82 -0.14 -1.26 -4.52 119.74 117.55 2klx s LYS 28 Ca 0.29 -1.27 -0.09 0.00 -1.36 0.00 0.00 55.97 53.55 2klx s LYS 28 Cb 0.06 -3.75 -0.06 0.00 -1.68 0.00 0.00 37.83 32.40 2klx s LYS 28 CO 0.09 -0.83 0.37 1.52 -0.76 0.00 0.00 175.35 175.75 2klx s TYR 29 N 1.49 3.57 -0.22 3.18 -0.85 -1.26 -4.27 117.35 118.98 2klx s TYR 29 Ca 0.02 0.72 -0.05 0.00 -0.52 0.00 0.00 57.07 57.24 2klx s TYR 29 Cb -0.21 -2.11 -0.01 0.00 0.38 0.00 0.00 41.96 40.01 2klx s TYR 29 CO 0.04 0.52 -0.02 0.99 -1.52 0.00 0.00 175.55 175.57 2klx s THR 30 N -1.41 3.61 -0.13 -3.49 2.01 -0.55 -5.01 115.64 110.67 2klx s THR 30 Ca 0.33 -0.41 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 2klx s THR 30 Cb -0.14 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 2klx s THR 30 CO 0.19 0.41 0.76 -0.62 -0.69 0.00 0.00 174.62 174.66 2klx s ASP 31 N 1.47 6.93 -0.25 3.53 -1.08 -1.26 -1.35 116.67 124.67 2klx s ASP 31 Ca 0.06 1.13 -0.04 0.00 -0.52 0.00 0.00 52.55 53.18 2klx s ASP 31 Cb -0.14 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2klx s ASP 31 CO -0.01 -0.27 -0.01 -0.63 0.52 0.00 0.00 175.17 174.76 2klx s ILE 32 N 1.60 3.45 0.42 4.11 -1.09 0.25 -4.95 121.20 124.99 2klx s ILE 32 Ca 0.37 -0.64 -0.24 0.00 -2.23 0.00 0.00 60.65 57.90 2klx s ILE 32 Cb -0.17 -2.66 -0.11 0.00 -1.58 0.00 0.00 42.46 37.95 2klx s ILE 32 CO 0.15 0.29 1.04 -0.90 -1.23 0.00 0.00 174.94 174.28 2klx n ASP 33 N 4.79 1.39 0.26 3.58 5.68 -1.25 -1.66 116.55 129.35 2klx n ASP 33 Ca -0.17 1.05 0.18 0.00 -0.50 0.00 0.00 54.79 55.35 2klx n ASP 33 Cb 0.49 -1.37 0.95 0.00 -1.14 0.00 0.00 41.12 40.05 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2klx h ALA 34 N 1.60 1.00 -0.87 2.12 0.00 -0.95 -3.40 119.26 118.76 2klx h ALA 34 Ca -0.45 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.77 2klx h ALA 34 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2klx h ALA 34 CO 0.57 0.00 1.39 0.43 0.00 0.00 0.00 179.25 181.64 2klx n SER 35 N -2.74 1.85 0.28 0.00 7.64 -1.26 -4.78 113.62 114.61 2klx n SER 35 Ca -0.02 0.47 0.14 0.00 1.01 0.00 0.00 58.87 60.48 2klx n SER 35 Cb 0.07 -1.19 0.82 0.00 -1.01 0.00 0.00 64.21 62.90 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 7.05 0.48 -1.03 0.44 1.35 -1.94 0.29 112.91 119.55 2klx h THR 36 Ca -0.24 -0.35 0.29 0.00 -0.55 0.00 0.00 66.41 65.56 2klx h THR 36 Cb 1.34 1.23 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 2klx h THR 36 CO 1.03 0.07 0.73 0.77 -0.25 0.00 0.00 175.52 177.87 2klx h SER 37 N 0.00 0.11 0.00 5.36 4.64 -1.95 -1.02 113.55 120.68 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2klx h SER 37 CO 0.01 0.03 -0.73 0.18 -0.87 0.00 0.00 176.83 175.44 2klx n LEU 38 N -4.31 1.13 -0.09 5.97 4.77 -0.97 -4.67 117.00 118.82 2klx n LEU 38 Ca 0.22 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2klx n LEU 38 Cb 1.04 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.43 2klx n LEU 38 CO 0.37 0.19 1.10 -0.09 -1.33 0.00 0.00 177.39 177.63 2klx h ARG 39 N 0.00 0.73 -0.58 3.23 1.12 -0.39 -0.82 114.38 117.66 2klx h ARG 39 Ca 0.00 -0.08 -0.08 0.00 -1.11 0.00 0.00 59.98 58.71 2klx h ARG 39 Cb 0.73 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.53 2klx h ARG 39 CO 0.00 0.56 0.06 0.37 -3.11 0.00 0.00 179.97 177.86 2klx h GLN 40 N 0.73 0.98 -0.17 0.20 5.75 -1.36 0.27 115.11 121.50 2klx h GLN 40 Ca 0.18 -0.28 -0.15 0.00 -0.15 0.00 0.00 58.65 58.25 2klx h GLN 40 Cb 0.07 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2klx h GLN 40 CO -0.03 0.95 -0.54 0.93 -2.65 0.00 0.00 178.83 177.49 2klx h GLU 41 N 0.87 0.51 0.02 1.69 5.08 -1.60 -1.23 114.58 119.92 2klx h GLU 41 Ca 0.17 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2klx h GLU 41 Cb 0.46 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2klx h GLU 41 CO 0.02 0.91 -0.01 1.98 -1.00 0.00 0.00 179.01 180.91 2klx h MET 42 N 0.39 -0.03 -0.68 2.33 4.05 -0.98 -0.30 114.93 119.71 2klx h MET 42 Ca 0.01 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2klx h MET 42 Cb 1.07 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 2klx h MET 42 CO 0.10 0.62 0.36 -0.24 0.23 0.00 0.00 176.91 177.98 2klx h VAL 43 N -0.73 1.21 -0.00 -5.77 3.04 -0.53 0.24 116.25 113.70 2klx h VAL 43 Ca -0.00 -0.53 -0.22 0.00 -1.01 0.00 0.00 66.70 64.94 2klx h VAL 43 Cb 0.67 0.30 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2klx h VAL 43 CO 0.01 0.23 -0.92 0.06 -1.01 0.00 0.00 177.57 175.94 2klx h GLN 44 N 0.94 0.36 0.00 4.17 3.07 -1.28 0.31 115.11 122.68 2klx h GLN 44 Ca 0.24 -0.38 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2klx h GLN 44 Cb 0.04 0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2klx h GLN 44 CO -0.04 1.06 0.00 -0.09 0.09 0.00 0.00 178.83 179.86 2klx h ARG 45 N 0.20 0.00 0.00 0.06 9.65 -0.58 0.44 114.38 124.15 2klx h ARG 45 Ca -0.07 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.43 2klx h ARG 45 Cb 1.55 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.06 2klx h ARG 45 CO 0.15 0.00 -2.42 0.00 2.80 0.00 0.00 179.97 180.50 2klx n ALA 46 N -1.84 1.45 -0.07 2.80 0.00 0.81 -4.68 120.51 118.98 2klx n ALA 46 Ca 0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 53.44 52.24 2klx n ALA 46 Cb 0.44 -0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 2klx n ALA 46 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2klx n ASN 47 N -3.31 1.96 0.00 0.00 0.23 0.11 -4.95 115.26 109.29 2klx n ASN 47 Ca -0.45 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 2klx n ASN 47 Cb 0.96 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 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 2.12 1.82 3.53 4.83 0.00 0.15 -5.02 105.19 112.63 2klx n GLY 48 Ca -0.39 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 3.77 0.28 1.61 1.70 -1.25 -4.43 118.95 120.63 2klx s ARG 49 Ca 0.00 -0.45 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 2klx s ARG 49 Cb 0.00 -3.10 -0.14 0.00 -0.57 0.00 0.00 34.95 31.14 2klx s ARG 49 CO 0.00 0.17 1.02 0.27 -1.08 0.00 0.00 175.30 175.67 2klx n ASN 50 N 3.81 1.31 -0.99 -2.89 6.94 -1.26 -4.67 115.26 117.51 2klx n ASN 50 Ca -0.17 1.18 0.00 0.00 -0.02 0.00 0.00 54.58 55.57 2klx n ASN 50 Cb 0.52 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.65 2klx n ASN 50 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2klx n THR 51 N 0.28 0.00 -0.66 5.53 -1.04 -1.26 -5.02 114.28 112.12 2klx n THR 51 Ca 0.10 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.80 2klx n THR 51 Cb 0.32 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 69.01 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 -8.30 1.55 0.81 -1.42 0.40 -1.26 -4.98 117.98 104.78 2klx s PHE 52 Ca 0.00 1.74 -0.11 0.00 -0.60 0.00 0.00 56.93 57.96 2klx s PHE 52 Cb 0.00 -3.32 0.08 0.00 0.51 0.00 0.00 43.02 40.28 2klx s PHE 52 CO 0.00 -2.97 1.09 -1.25 0.70 0.00 0.00 175.22 172.79 2klx s PRO 53 N -4.62 1.99 -0.06 0.24 0.04 -1.26 -5.05 135.00 126.27 2klx s PRO 53 Ca 0.67 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 2klx s PRO 53 Cb -0.23 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.53 2klx s PRO 53 CO 0.59 -1.80 1.34 1.14 0.04 0.00 0.00 177.00 178.30 2klx s GLN 54 N -4.91 0.17 -0.32 4.56 1.03 -1.03 -4.89 119.66 114.26 2klx s GLN 54 Ca 0.62 -0.11 -0.15 0.00 0.04 0.00 0.00 55.36 55.76 2klx s GLN 54 Cb -0.17 0.05 -0.02 0.00 0.03 0.00 0.00 33.01 32.89 2klx s GLN 54 CO 0.56 -0.08 0.38 0.42 -2.54 0.00 0.00 175.29 174.03 2klx s ILE 55 N -2.01 5.16 -0.07 3.63 1.09 -1.26 -1.15 121.20 126.59 2klx s ILE 55 Ca 0.31 0.24 -0.14 0.00 -1.10 0.00 0.00 60.65 59.97 2klx s ILE 55 Cb -0.00 -3.79 -0.05 0.00 -1.06 0.00 0.00 42.46 37.56 2klx s ILE 55 CO -0.02 -0.02 0.34 0.12 -0.10 0.00 0.00 174.94 175.26 2klx s PHE 56 N 2.07 3.63 -0.04 3.97 2.19 0.11 -0.10 117.98 129.80 2klx s PHE 56 Ca 0.13 0.82 -0.02 0.00 0.33 0.00 0.00 56.93 58.19 2klx s PHE 56 Cb -0.16 -2.27 0.03 0.00 -1.31 0.00 0.00 43.02 39.31 2klx s PHE 56 CO 0.11 0.52 0.07 0.96 1.83 0.00 0.00 175.22 178.72 2klx s ILE 57 N -0.56 -0.12 -1.57 3.12 -4.36 -0.31 -0.16 121.20 117.23 2klx s ILE 57 Ca 0.21 0.37 -0.11 0.00 -0.26 0.00 0.00 60.65 60.85 2klx s ILE 57 Cb -0.15 -0.16 0.09 0.00 1.25 0.00 0.00 42.46 43.49 2klx s ILE 57 CO 0.09 0.15 0.69 0.61 0.24 0.00 0.00 174.94 176.73 2klx n GLY 58 N 5.05 -0.37 2.39 6.27 0.00 -0.11 0.15 105.19 118.56 2klx n GLY 58 Ca -0.09 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.80 -4.45 -3.60 1.61 8.00 -1.26 -4.93 116.55 109.12 2klx n ASP 59 Ca -0.07 -0.08 -0.26 0.00 0.71 0.00 0.00 54.79 55.09 2klx n ASP 59 Cb 0.57 -3.51 -0.17 0.00 -0.02 0.00 0.00 41.12 37.99 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 -2.80 0.20 0.42 1.24 5.04 0.12 -4.99 117.35 116.58 2klx s TYR 60 Ca 0.07 -0.39 -0.26 0.00 -2.44 0.00 0.00 57.07 54.06 2klx s TYR 60 Cb -0.03 -0.71 -0.09 0.00 0.35 0.00 0.00 41.96 41.48 2klx s TYR 60 CO 0.09 -0.56 1.35 -3.38 -1.34 0.00 0.00 175.55 171.71 2klx s HIS 61 N 2.14 2.69 -0.17 4.97 -3.43 -1.26 -1.17 115.29 119.07 2klx s HIS 61 Ca 0.03 1.35 0.12 0.00 -0.80 0.00 0.00 55.06 55.77 2klx s HIS 61 Cb -0.16 -3.77 -0.19 0.00 -1.43 0.00 0.00 32.58 27.03 2klx s HIS 61 CO -0.14 -2.41 0.02 0.28 -2.00 0.00 0.00 174.74 170.50 2klx n VAL 62 N 0.05 1.13 0.00 -5.38 0.31 0.86 -4.91 118.33 110.39 2klx n VAL 62 Ca 0.04 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2klx n VAL 62 Cb 0.43 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 2.07 1.91 3.37 2.92 0.00 -1.26 -4.87 105.19 109.34 2klx n GLY 63 Ca -0.28 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 1.53 0.36 -0.02 0.00 -1.26 -4.14 107.32 103.79 2klx s GLY 64 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.30 2klx s GLY 64 CO 0.00 -1.45 2.00 0.00 0.00 0.00 0.00 173.10 173.65 2klx h ASP 66 N 0.72 0.00 -0.14 0.00 3.58 -1.99 -2.77 116.42 115.83 2klx h ASP 66 Ca 0.19 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 2klx h ASP 66 Cb -0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2klx h ASP 66 CO -0.03 0.26 -0.39 0.44 -2.88 0.00 0.00 179.24 176.64 2klx h ASP 67 N 0.00 0.71 -0.02 2.28 5.19 -1.57 -1.62 116.42 121.40 2klx h ASP 67 Ca -0.00 -0.31 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 2klx h ASP 67 Cb 0.62 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2klx h ASP 67 CO 0.03 1.02 -0.34 0.17 -3.12 0.00 0.00 179.24 177.00 2klx h LEU 68 N 0.55 0.51 0.12 1.55 8.10 -1.37 -0.52 115.31 124.25 2klx h LEU 68 Ca 0.05 -0.20 -0.01 0.00 0.11 0.00 0.00 57.88 57.83 2klx h LEU 68 Cb 0.91 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.99 2klx h LEU 68 CO 0.08 0.82 -0.06 1.88 -4.11 0.00 0.00 178.44 177.05 2klx h TYR 69 N 0.42 -0.15 -0.87 0.17 0.05 -1.41 -1.76 116.97 113.43 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 0.80 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.54 2klx h TYR 69 CO 0.03 0.34 0.53 0.00 -1.05 0.00 0.00 178.16 178.02 2klx h ALA 70 N -0.11 1.30 0.22 3.88 0.00 -1.33 -1.43 119.26 121.79 2klx h ALA 70 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2klx h ALA 70 Cb 0.56 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2klx h ALA 70 CO 0.03 0.61 -0.11 -0.07 0.00 0.00 0.00 179.25 179.71 2klx h LEU 71 N 1.20 -0.25 -1.23 0.00 3.38 -1.15 0.40 115.31 117.65 2klx h LEU 71 Ca 0.31 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2klx h LEU 71 Cb -0.07 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2klx h LEU 71 CO -0.06 0.07 0.57 -0.08 0.09 0.00 0.00 178.44 179.03 2klx h GLU 72 N -0.59 0.80 0.00 1.13 4.22 -1.16 0.38 114.58 119.36 2klx h GLU 72 Ca -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.33 2klx h GLU 72 Cb 0.43 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2klx h GLU 72 CO 0.05 0.53 -0.34 -0.97 -2.18 0.00 0.00 179.01 176.11 2klx h ASN 73 N 0.83 0.00 1.70 1.04 -0.73 -1.15 -3.15 115.58 114.11 2klx h ASN 73 Ca 0.42 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.53 2klx h ASN 73 Cb 0.49 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 2klx h ASN 73 CO -0.18 0.12 -0.27 0.50 -0.37 0.00 0.00 177.43 177.23 2klx h LYS 74 N 0.00 0.00 0.00 6.67 3.11 0.20 -3.47 116.57 123.09 2klx h LYS 74 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2klx h LYS 74 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 2klx h LYS 74 CO 0.01 0.27 0.00 0.41 -2.81 0.00 0.00 179.45 177.33 2klx n GLY 75 N 1.13 -0.07 0.05 5.01 0.00 -0.16 -4.99 105.19 106.16 2klx n GLY 75 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 1.06 -0.27 1.61 4.01 0.11 -3.98 118.16 120.70 2klx n LYS 76 Ca 0.00 -0.09 0.08 0.00 -0.51 0.00 0.00 58.31 57.79 2klx n LYS 76 Cb 0.00 -1.39 0.22 0.00 -0.51 0.00 0.00 35.03 33.35 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 0.20 0.27 -0.51 -0.35 6.46 -1.66 -0.60 115.31 119.11 2klx h LEU 77 Ca 0.00 0.13 0.10 0.00 -0.12 0.00 0.00 57.88 57.99 2klx h LEU 77 Cb 0.04 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 39.99 2klx h LEU 77 CO 0.00 0.06 -0.13 0.44 -0.62 0.00 0.00 178.44 178.20 2klx h ASP 78 N 0.42 -0.47 -0.59 1.25 5.19 -1.90 0.30 116.42 120.63 2klx h ASP 78 Ca 0.46 0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.94 2klx h ASP 78 Cb 0.76 0.31 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 2klx h ASP 78 CO -0.45 -0.17 0.04 -1.28 -3.12 0.00 0.00 179.24 174.26 2klx h SER 79 N 0.00 0.98 -0.49 6.45 0.87 -1.45 -1.40 113.55 118.51 2klx h SER 79 Ca 0.24 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2klx h SER 79 Cb 0.37 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2klx h SER 79 CO -0.52 1.03 0.29 -0.07 -0.53 0.00 0.00 176.83 177.03 2klx h LEU 80 N 0.91 0.60 -0.44 2.23 -0.00 -0.08 0.25 115.31 118.77 2klx h LEU 80 Ca 0.17 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.92 2klx h LEU 80 Cb 0.50 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2klx h LEU 80 CO 0.02 0.49 0.02 -0.07 -0.00 0.00 0.00 178.44 178.90 2klx h LEU 81 N 0.65 0.75 -1.21 1.67 3.38 -0.33 0.29 115.31 120.51 2klx h LEU 81 Ca 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2klx h LEU 81 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2klx h LEU 81 CO -0.03 0.86 -0.05 1.56 0.09 0.00 0.00 178.44 180.86 2klx h GLN 82 N 0.61 0.00 0.06 1.13 4.20 -1.01 0.15 115.11 120.25 2klx h GLN 82 Ca 0.13 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.52 2klx h GLN 82 Cb 0.46 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2klx h GLN 82 CO 0.02 0.05 -1.77 -0.44 -0.67 0.00 0.00 178.83 176.02 2klx h ASP 83 N 0.00 0.20 1.35 1.46 5.19 -0.10 -3.36 116.42 121.16 2klx h ASP 83 Ca -0.00 -0.41 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 2klx h ASP 83 Cb 0.63 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 2klx h ASP 83 CO 0.01 1.37 -0.65 -0.37 -3.12 0.00 0.00 179.24 176.47 2klx h VAL 84 N 0.03 0.08 -0.03 -1.35 -1.51 -0.32 -1.77 116.25 111.39 2klx h VAL 84 Ca -0.32 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 2klx h VAL 84 Cb 2.02 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.94 2klx h VAL 84 CO 0.09 0.05 0.00 1.57 -1.23 0.00 0.00 177.57 178.05