#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k68 s HIS 10 N 0.00 2.63 0.02 0.00 0.00 -1.26 -5.02 115.29 111.66 1k68 s HIS 10 Ca 0.00 1.55 -0.04 0.00 -3.00 0.00 0.00 55.06 53.57 1k68 s HIS 10 Cb 0.00 -3.21 -0.04 0.00 -4.00 0.00 0.00 32.58 25.33 1k68 s HIS 10 CO 0.00 -1.67 0.24 0.15 -1.00 0.00 0.00 174.74 172.46 1k68 s LYS 11 N -3.85 3.51 -0.21 -0.38 -0.14 -1.26 -4.94 119.74 112.46 1k68 s LYS 11 Ca 0.69 -0.23 -0.03 0.00 -1.36 0.00 0.00 55.97 55.04 1k68 s LYS 11 Cb -0.22 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1k68 s LYS 11 CO 0.37 0.63 -0.08 0.21 -0.76 0.00 0.00 175.35 175.73 1k68 s LYS 12 N -2.03 3.28 -0.14 1.68 2.20 -1.26 0.48 119.74 123.95 1k68 s LYS 12 Ca 0.30 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1k68 s LYS 12 Cb -0.13 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1k68 s LYS 12 CO 0.20 -0.21 -0.05 0.42 -0.36 0.00 0.00 175.35 175.35 1k68 s ILE 13 N 1.44 3.81 -0.29 5.43 1.09 0.43 0.14 121.20 133.24 1k68 s ILE 13 Ca 0.06 -0.40 -0.06 0.00 -1.10 0.00 0.00 60.65 59.14 1k68 s ILE 13 Cb -0.14 -2.64 0.01 0.00 -1.06 0.00 0.00 42.46 38.63 1k68 s ILE 13 CO -0.05 0.52 0.07 0.12 -0.10 0.00 0.00 174.94 175.49 1k68 s PHE 14 N 0.12 3.14 -0.25 3.97 5.36 0.09 -1.05 117.98 129.36 1k68 s PHE 14 Ca -0.02 -1.02 -0.08 0.00 -0.96 0.00 0.00 56.93 54.85 1k68 s PHE 14 Cb -0.14 -2.23 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 1k68 s PHE 14 CO 0.03 -0.59 0.10 -1.17 -1.46 0.00 0.00 175.22 172.13 1k68 s LEU 15 N 1.48 3.61 -0.51 6.12 2.96 0.10 -0.89 118.68 131.55 1k68 s LEU 15 Ca 0.02 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1k68 s LEU 15 Cb -0.17 -1.97 0.13 0.00 0.50 0.00 0.00 46.19 44.68 1k68 s LEU 15 CO 0.02 -0.02 0.37 -0.69 -1.32 0.00 0.00 176.35 174.71 1k68 s VAL 16 N 1.57 4.11 -0.12 1.68 1.01 -0.31 -1.02 120.40 127.32 1k68 s VAL 16 Ca 0.06 -2.06 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1k68 s VAL 16 Cb -0.15 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1k68 s VAL 16 CO 0.05 -0.80 0.41 -0.70 0.00 0.00 0.00 175.10 174.07 1k68 s GLU 17 N 1.02 0.57 -0.00 2.72 2.56 -0.63 -4.50 118.70 120.43 1k68 s GLU 17 Ca 0.09 0.39 0.11 0.00 0.00 0.00 0.00 54.97 55.55 1k68 s GLU 17 Cb -0.24 0.27 -0.13 0.00 2.00 0.00 0.00 34.13 36.04 1k68 s GLU 17 CO -0.02 -0.10 0.41 -0.40 -0.56 0.00 0.00 175.26 174.58 1k68 n ASP 18 N 2.37 0.90 -4.53 -1.70 5.75 -1.26 -3.89 116.55 114.19 1k68 n ASP 18 Ca -0.15 -0.60 -0.42 0.00 -0.01 0.00 0.00 54.79 53.61 1k68 n ASP 18 Cb 0.57 1.10 -0.03 0.00 -1.03 0.00 0.00 41.12 41.73 1k68 n ASP 18 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1k68 s ASN 19 N -2.27 6.53 0.48 -1.12 3.84 -1.26 -4.86 114.94 116.28 1k68 s ASN 19 Ca 0.02 -1.59 0.39 0.00 0.21 0.00 0.00 52.86 51.90 1k68 s ASN 19 Cb 0.08 -2.53 1.57 0.00 -0.55 0.00 0.00 41.25 39.82 1k68 s ASN 19 CO 0.44 -1.40 1.55 2.29 -2.79 0.00 0.00 177.10 177.19 1k68 n LYS 20 N 8.32 -0.02 -0.08 0.43 -0.00 -1.26 0.86 118.16 126.40 1k68 n LYS 20 Ca 0.30 1.18 -0.12 0.00 -0.00 0.00 0.00 58.31 59.68 1k68 n LYS 20 Cb 0.51 -2.46 -0.05 0.00 -0.00 0.00 0.00 35.03 33.03 1k68 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k68 h ALA 21 N 1.35 0.34 -0.33 0.58 0.00 -2.00 -1.72 119.26 117.48 1k68 h ALA 21 Ca 0.90 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 55.41 1k68 h ALA 21 Cb 3.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.86 1k68 h ALA 21 CO -0.29 0.13 -0.32 -0.44 0.00 0.00 0.00 179.25 178.33 1k68 h ASP 22 N 0.21 0.75 -0.34 0.00 3.32 0.06 -2.38 116.42 118.03 1k68 h ASP 22 Ca 0.06 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1k68 h ASP 22 Cb 0.52 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1k68 h ASP 22 CO 0.02 1.01 0.17 0.40 -1.72 0.00 0.00 179.24 179.12 1k68 h ILE 23 N 0.60 0.98 -0.34 0.35 2.04 -1.07 -0.14 117.51 119.93 1k68 h ILE 23 Ca 0.07 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1k68 h ILE 23 Cb 0.84 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1k68 h ILE 23 CO 0.07 0.06 0.20 0.03 0.00 0.00 0.00 178.15 178.52 1k68 h ARG 24 N 0.35 0.40 0.29 2.37 3.08 -1.13 -1.20 114.38 118.53 1k68 h ARG 24 Ca 0.14 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1k68 h ARG 24 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1k68 h ARG 24 CO -0.10 0.26 -0.14 1.25 -1.07 0.00 0.00 179.97 180.17 1k68 h LEU 25 N 0.41 -0.33 -0.20 3.04 7.12 -1.01 -2.44 115.31 121.89 1k68 h LEU 25 Ca 0.13 -0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.15 1k68 h LEU 25 Cb 0.00 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.18 1k68 h LEU 25 CO -0.06 -0.17 -0.04 0.40 -0.13 0.00 0.00 178.44 178.43 1k68 h ILE 26 N -0.45 0.80 -0.69 4.05 2.04 -0.96 -0.85 117.51 121.44 1k68 h ILE 26 Ca -0.04 -0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1k68 h ILE 26 Cb 0.34 0.79 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 1k68 h ILE 26 CO 0.06 0.00 0.15 1.56 0.00 0.00 0.00 178.15 179.92 1k68 h GLN 27 N 0.01 0.24 -0.57 2.37 4.20 -1.16 -1.15 115.11 119.05 1k68 h GLN 27 Ca 0.10 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1k68 h GLN 27 Cb 0.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1k68 h GLN 27 CO -0.20 0.16 0.00 0.93 -0.67 0.00 0.00 178.83 179.05 1k68 h GLU 28 N 0.25 1.00 0.00 1.46 5.08 -0.87 -2.67 114.58 118.83 1k68 h GLU 28 Ca 0.38 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1k68 h GLU 28 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1k68 h GLU 28 CO -0.49 1.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1k68 h ALA 29 N 0.97 1.00 -0.45 3.43 0.00 0.05 -1.95 119.26 122.31 1k68 h ALA 29 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k68 h ALA 29 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1k68 h ALA 29 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1k68 n LEU 30 N -2.87 3.26 0.15 0.00 4.77 -0.86 -4.42 117.00 117.04 1k68 n LEU 30 Ca -0.01 -1.84 0.06 0.00 -0.03 0.00 0.00 56.01 54.18 1k68 n LEU 30 Cb 0.14 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1k68 n LEU 30 CO 0.20 0.79 0.44 0.00 -1.33 0.00 0.00 177.39 177.49 1k68 h ALA 31 N 3.14 0.75 -1.85 -1.18 0.00 -1.17 -3.42 119.26 115.53 1k68 h ALA 31 Ca 0.00 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.96 1k68 h ALA 31 Cb 0.83 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 1k68 h ALA 31 CO 0.00 0.41 0.45 0.54 0.00 0.00 0.00 179.25 180.65 1k68 s ASN 32 N -6.19 6.30 -0.30 0.00 2.20 -1.26 -4.92 114.94 110.76 1k68 s ASN 32 Ca 0.04 -0.54 -0.11 0.00 -0.94 0.00 0.00 52.86 51.30 1k68 s ASN 32 Cb 0.07 -2.40 0.16 0.00 -2.00 0.00 0.00 41.25 37.08 1k68 s ASN 32 CO 0.73 -1.18 0.87 -0.55 -2.94 0.00 0.00 177.10 174.03 1k68 s SER 33 N 2.90 -0.81 0.28 3.54 0.15 -1.26 -5.02 113.70 113.49 1k68 s SER 33 Ca 0.26 0.87 -0.00 0.00 0.70 0.00 0.00 55.95 57.78 1k68 s SER 33 Cb -0.14 1.82 0.66 0.00 -1.71 0.00 0.00 66.02 66.65 1k68 s SER 33 CO 0.17 -0.15 1.62 0.00 1.20 0.00 0.00 173.24 176.08 1k68 h THR 34 N 5.65 0.25 -3.42 6.45 1.03 -2.00 -2.60 112.91 118.27 1k68 h THR 34 Ca -0.17 -0.04 -0.75 0.00 -0.01 0.00 0.00 66.41 65.44 1k68 h THR 34 Cb 1.13 0.11 -0.28 0.00 -1.07 0.00 0.00 68.15 68.03 1k68 h THR 34 CO 0.08 0.02 -0.22 -0.69 -0.01 0.00 0.00 175.52 174.70 1k68 s VAL 35 N -5.99 4.72 -0.33 0.00 1.01 -1.26 -5.03 120.40 113.51 1k68 s VAL 35 Ca -0.13 -2.07 -0.43 0.00 0.00 0.00 0.00 61.98 59.35 1k68 s VAL 35 Cb 0.26 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.42 1k68 s VAL 35 CO 0.77 -0.88 1.37 -2.65 0.00 0.00 0.00 175.10 173.71 1k68 n PRO 36 N 4.53 0.00 -1.87 2.72 -0.02 -0.98 -4.66 135.00 134.72 1k68 n PRO 36 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1k68 n PRO 36 Cb 0.42 -1.42 0.02 0.00 -0.02 0.00 0.00 33.50 32.50 1k68 n PRO 36 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1k68 s HIS 37 N 2.00 3.23 -0.40 6.00 3.76 -1.26 -4.40 115.29 124.21 1k68 s HIS 37 Ca 0.95 1.43 -0.06 0.00 -0.15 0.00 0.00 55.06 57.23 1k68 s HIS 37 Cb -1.35 -2.87 0.09 0.00 1.11 0.00 0.00 32.58 29.56 1k68 s HIS 37 CO 0.71 -0.97 0.21 -2.00 -0.85 0.00 0.00 174.74 171.84 1k68 s GLU 38 N -4.67 2.35 -0.22 1.40 2.12 0.18 -4.95 118.70 114.90 1k68 s GLU 38 Ca 0.59 -1.60 -0.12 0.00 0.36 0.00 0.00 54.97 54.20 1k68 s GLU 38 Cb -0.13 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 1k68 s GLU 38 CO 0.46 -0.98 0.23 0.08 -0.54 0.00 0.00 175.26 174.51 1k68 s VAL 39 N 1.29 5.32 -0.04 3.70 1.01 -1.26 -0.43 120.40 129.98 1k68 s VAL 39 Ca 0.04 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.41 1k68 s VAL 39 Cb -0.23 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1k68 s VAL 39 CO -0.01 0.33 -0.21 -0.69 0.00 0.00 0.00 175.10 174.52 1k68 s VAL 40 N 1.04 1.72 0.03 2.92 1.01 -0.22 -4.98 120.40 121.93 1k68 s VAL 40 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1k68 s VAL 40 Cb -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1k68 s VAL 40 CO 0.05 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.56 1k68 s THR 41 N -0.14 1.46 0.03 3.92 2.01 -1.26 0.02 115.64 121.68 1k68 s THR 41 Ca -0.02 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1k68 s THR 41 Cb -0.12 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1k68 s THR 41 CO 0.02 0.17 -0.08 0.68 -0.69 0.00 0.00 174.62 174.72 1k68 s VAL 42 N -0.76 0.58 -2.71 3.82 -7.23 -0.19 -4.97 120.40 108.94 1k68 s VAL 42 Ca 0.06 -0.90 0.26 0.00 -1.81 0.00 0.00 61.98 59.58 1k68 s VAL 42 Cb -0.08 -0.60 0.33 0.00 0.56 0.00 0.00 36.38 36.58 1k68 s VAL 42 CO 0.01 -0.24 1.46 -2.11 -0.31 0.00 0.00 175.10 173.91 1k68 n ARG 43 N 1.81 1.96 -3.62 4.82 0.00 -1.25 -1.60 116.66 118.77 1k68 n ARG 43 Ca -0.20 -1.45 -0.13 0.00 -0.00 0.00 0.00 57.85 56.06 1k68 n ARG 43 Cb 0.55 -1.47 -0.06 0.00 -0.00 0.00 0.00 32.46 31.49 1k68 n ARG 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1k68 s ASP 44 N -2.04 -0.35 0.42 2.89 1.47 -1.26 -4.17 116.67 113.63 1k68 s ASP 44 Ca 0.31 0.06 0.15 0.00 1.18 0.00 0.00 52.55 54.26 1k68 s ASP 44 Cb 0.20 0.46 1.04 0.00 -0.34 0.00 0.00 42.92 44.28 1k68 s ASP 44 CO 0.33 -0.70 1.91 1.23 0.68 0.00 0.00 175.17 178.63 1k68 h GLY 45 N 2.88 0.76 0.79 2.12 0.00 -1.58 -0.92 103.07 107.12 1k68 h GLY 45 Ca -0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1k68 h GLY 45 CO 0.43 0.06 -0.01 -0.33 0.00 0.00 0.00 176.54 176.68 1k68 h MET 46 N 0.43 0.30 -0.25 4.80 2.86 -1.83 -2.05 114.93 119.19 1k68 h MET 46 Ca 0.39 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1k68 h MET 46 Cb 0.88 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1k68 h MET 46 CO -0.13 0.53 -0.07 1.49 1.06 0.00 0.00 176.91 179.79 1k68 h GLU 47 N 0.03 0.40 -0.14 1.72 4.57 -1.80 -2.02 114.58 117.34 1k68 h GLU 47 Ca 0.05 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1k68 h GLU 47 Cb 0.40 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1k68 h GLU 47 CO 0.01 0.48 0.01 0.00 -1.18 0.00 0.00 179.01 178.34 1k68 h ALA 48 N 1.56 0.19 -0.29 2.92 0.00 -0.94 -1.72 119.26 120.97 1k68 h ALA 48 Ca 0.08 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1k68 h ALA 48 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1k68 h ALA 48 CO 0.02 -0.14 -0.39 0.52 0.00 0.00 0.00 179.25 179.26 1k68 h MET 49 N -0.00 0.69 -0.74 0.00 2.86 -1.22 -0.79 114.93 115.73 1k68 h MET 49 Ca 0.04 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1k68 h MET 49 Cb 0.32 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1k68 h MET 49 CO 0.00 0.96 0.37 0.00 1.06 0.00 0.00 176.91 179.31 1k68 h ALA 50 N 1.00 0.95 0.07 6.32 0.00 -1.35 0.56 119.26 126.82 1k68 h ALA 50 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k68 h ALA 50 Cb 0.92 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1k68 h ALA 50 CO 0.08 0.50 -0.04 -0.92 0.00 0.00 0.00 179.25 178.87 1k68 h TYR 51 N 1.03 -0.09 -0.74 0.00 3.20 -1.11 -0.22 116.97 119.04 1k68 h TYR 51 Ca 0.26 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1k68 h TYR 51 Cb 0.09 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1k68 h TYR 51 CO 0.00 0.25 0.38 -0.07 -1.64 0.00 0.00 178.16 177.08 1k68 h LEU 52 N -0.45 0.93 -0.73 2.82 3.38 -1.01 -1.80 115.31 118.46 1k68 h LEU 52 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1k68 h LEU 52 Cb 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1k68 h LEU 52 CO 0.02 0.77 0.00 0.54 0.09 0.00 0.00 178.44 179.86 1k68 n ARG 53 N -4.34 1.46 -3.94 1.13 1.74 0.17 -4.92 116.66 107.97 1k68 n ARG 53 Ca 0.07 -0.72 -0.27 0.00 -0.77 0.00 0.00 57.85 56.17 1k68 n ARG 53 Cb 0.12 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1k68 n ARG 53 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1k68 n GLN 54 N 0.05 -3.94 -3.26 5.56 6.02 -0.68 -4.95 117.38 116.18 1k68 n GLN 54 Ca 0.09 0.47 -0.39 0.00 -0.01 0.00 0.00 57.00 57.16 1k68 n GLN 54 Cb 0.18 -4.90 -0.06 0.00 1.02 0.00 0.00 30.24 26.48 1k68 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k68 s GLU 55 N -6.51 4.23 6.05 -1.09 2.02 -0.13 -3.16 118.70 120.10 1k68 s GLU 55 Ca 0.23 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1k68 s GLU 55 Cb -0.12 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1k68 s GLU 55 CO 0.87 0.58 0.00 0.41 0.02 0.00 0.00 175.26 177.14 1k68 n GLY 56 N 1.89 3.71 0.14 -1.39 0.00 -1.26 -1.85 105.19 106.43 1k68 n GLY 56 Ca -0.10 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1k68 n GLY 56 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1k68 n GLU 57 N 14.00 0.11 -0.35 1.61 0.28 -1.26 -0.78 120.64 134.25 1k68 n GLU 57 Ca 0.00 0.61 0.10 0.00 -0.16 0.00 0.00 57.16 57.71 1k68 n GLU 57 Cb 0.00 -1.90 0.29 0.00 1.43 0.00 0.00 31.44 31.26 1k68 n GLU 57 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1k68 n TYR 58 N -2.12 0.91 -0.16 -1.84 0.53 -0.77 -4.57 117.16 109.13 1k68 n TYR 58 Ca -0.01 -0.51 0.29 0.00 -1.02 0.00 0.00 57.90 56.65 1k68 n TYR 58 Cb 0.05 -0.02 0.70 0.00 -1.03 0.00 0.00 39.34 39.04 1k68 n TYR 58 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1k68 h ALA 59 N 3.81 2.76 -0.13 -0.72 0.00 -0.91 -0.54 119.26 123.54 1k68 h ALA 59 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k68 h ALA 59 Cb 0.97 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1k68 h ALA 59 CO 0.02 -1.23 0.00 0.09 0.00 0.00 0.00 179.25 178.13 1k68 n ASN 60 N -3.88 2.95 -4.69 0.00 3.02 -1.26 -4.92 115.26 106.47 1k68 n ASN 60 Ca 0.19 -2.85 -0.42 0.00 -0.03 0.00 0.00 54.58 51.46 1k68 n ASN 60 Cb 1.07 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 1k68 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k68 s ALA 61 N -2.50 3.35 0.73 5.41 0.00 -0.21 -5.02 121.76 123.52 1k68 s ALA 61 Ca 0.32 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 1k68 s ALA 61 Cb 0.26 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1k68 s ALA 61 CO 0.06 -0.48 1.13 -1.54 0.00 0.00 0.00 175.76 174.93 1k68 s SER 62 N 1.06 4.54 0.12 0.00 1.04 -1.26 -4.89 113.70 114.31 1k68 s SER 62 Ca 0.47 2.05 -0.30 0.00 0.48 0.00 0.00 55.95 58.65 1k68 s SER 62 Cb -0.19 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.31 1k68 s SER 62 CO 0.20 -2.02 1.18 -0.60 0.98 0.00 0.00 173.24 172.98 1k68 s ARG 63 N -4.31 4.48 0.86 4.02 3.52 -1.26 -5.02 118.95 121.24 1k68 s ARG 63 Ca 0.67 1.79 -0.11 0.00 -0.13 0.00 0.00 55.73 57.95 1k68 s ARG 63 Cb -0.22 -3.30 0.10 0.00 -1.56 0.00 0.00 34.95 29.98 1k68 s ARG 63 CO 0.47 -0.14 1.09 -1.25 -0.81 0.00 0.00 175.30 174.67 1k68 s PRO 64 N 0.36 1.60 0.01 5.12 0.04 -1.26 -4.91 135.00 135.95 1k68 s PRO 64 Ca 0.55 0.81 0.22 0.00 0.04 0.00 0.00 61.00 62.62 1k68 s PRO 64 Cb -0.30 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 1k68 s PRO 64 CO 0.33 -2.00 0.83 -0.25 0.04 0.00 0.00 177.00 175.94 1k68 n ASP 65 N -3.72 0.61 -3.68 6.66 8.00 0.12 -4.94 116.55 119.60 1k68 n ASP 65 Ca 0.07 -0.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.94 1k68 n ASP 65 Cb 0.55 1.20 -0.09 0.00 -0.02 0.00 0.00 41.12 42.77 1k68 n ASP 65 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1k68 s LEU 66 N -3.67 -0.10 -0.08 0.64 2.96 -1.09 -4.31 118.68 113.03 1k68 s LEU 66 Ca 0.03 1.08 0.05 0.00 -0.22 0.00 0.00 54.13 55.06 1k68 s LEU 66 Cb 0.15 1.90 -0.00 0.00 0.50 0.00 0.00 46.19 48.74 1k68 s LEU 66 CO 0.86 -0.21 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.83 1k68 s ILE 67 N 0.21 1.87 -0.21 6.68 1.01 -0.41 -0.73 121.20 129.62 1k68 s ILE 67 Ca -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 1k68 s ILE 67 Cb -0.04 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 1k68 s ILE 67 CO 0.01 0.52 -0.08 -0.76 0.00 0.00 0.00 174.94 174.63 1k68 s LEU 68 N 0.18 2.72 0.00 2.97 1.43 -0.07 -0.30 118.68 125.61 1k68 s LEU 68 Ca -0.12 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1k68 s LEU 68 Cb -0.16 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1k68 s LEU 68 CO 0.06 -0.01 0.00 -0.11 0.23 0.00 0.00 176.35 176.52 1k68 n LEU 69 N 4.74 0.00 0.00 1.79 7.94 0.32 -1.16 117.00 130.63 1k68 n LEU 69 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1k68 n LEU 69 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1k68 n LEU 69 CO 0.28 0.00 -0.24 0.18 -1.11 0.00 0.00 177.39 176.50 1k68 n LEU 71 N 0.00 0.46 -3.73 -1.96 4.77 -1.26 -1.34 117.00 113.95 1k68 n LEU 71 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1k68 n LEU 71 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1k68 n LEU 71 CO 0.00 -0.10 2.32 -3.20 -1.33 0.00 0.00 177.39 175.08 1k68 n ASN 72 N -2.51 5.54 -4.90 -1.43 5.15 -1.26 -0.18 115.26 115.68 1k68 n ASN 72 Ca 0.00 -3.01 -0.28 0.00 -0.60 0.00 0.00 54.58 50.69 1k68 n ASN 72 Cb 0.24 -1.51 -0.03 0.00 -0.53 0.00 0.00 39.78 37.96 1k68 n ASN 72 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1k68 s LEU 73 N 0.12 3.99 0.52 1.20 1.43 -1.26 -4.93 118.68 119.75 1k68 s LEU 73 Ca 0.46 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.13 1k68 s LEU 73 Cb 0.13 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1k68 s LEU 73 CO -0.04 -0.26 1.09 -2.84 0.23 0.00 0.00 176.35 174.53 1k68 s PRO 74 N -3.75 3.55 0.00 1.29 0.02 -1.26 -3.88 135.00 130.96 1k68 s PRO 74 Ca 0.45 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1k68 s PRO 74 Cb -0.10 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1k68 s PRO 74 CO 0.32 -0.67 0.00 0.36 -0.33 0.00 0.00 177.00 176.68 1k68 n LYS 75 N -1.18 -0.11 0.00 5.54 2.85 -1.26 -3.58 118.16 120.42 1k68 n LYS 75 Ca 0.10 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1k68 n LYS 75 Cb 0.52 -3.16 0.00 0.00 -0.65 0.00 0.00 35.03 31.73 1k68 n LYS 75 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1k68 n LYS 76 N -0.73 0.00 -1.56 -1.58 4.81 -1.25 -4.70 118.16 113.14 1k68 n LYS 76 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1k68 n LYS 76 Cb 0.02 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.12 1k68 n LYS 76 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1k68 s ASP 77 N 0.00 5.30 0.56 3.14 3.84 -1.26 -2.84 116.67 125.42 1k68 s ASP 77 Ca 0.00 1.65 0.25 0.00 -0.00 0.00 0.00 52.55 54.45 1k68 s ASP 77 Cb 0.00 -2.50 1.49 0.00 -1.38 0.00 0.00 42.92 40.53 1k68 s ASP 77 CO 0.00 -1.49 2.07 1.23 -0.00 0.00 0.00 175.17 176.98 1k68 h GLY 78 N -0.70 0.00 0.77 2.12 0.00 -0.89 -1.86 103.07 102.51 1k68 h GLY 78 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1k68 h GLY 78 CO 0.56 0.00 -0.05 3.21 0.00 0.00 0.00 176.54 180.26 1k68 h ARG 79 N 0.00 -0.06 -0.47 4.80 2.47 -1.92 0.42 114.38 119.61 1k68 h ARG 79 Ca 0.13 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.72 1k68 h ARG 79 Cb 0.57 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1k68 h ARG 79 CO -0.00 -0.04 -0.20 0.93 0.56 0.00 0.00 179.97 181.22 1k68 h GLU 80 N -0.06 0.95 -0.20 0.04 5.08 -1.73 -2.02 114.58 116.63 1k68 h GLU 80 Ca 0.05 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1k68 h GLU 80 Cb 0.13 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1k68 h GLU 80 CO -0.11 1.05 0.14 0.28 -1.00 0.00 0.00 179.01 179.37 1k68 h VAL 81 N 0.83 1.05 -0.14 3.13 2.07 -1.04 -1.09 116.25 121.06 1k68 h VAL 81 Ca 0.11 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1k68 h VAL 81 Cb 0.76 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1k68 h VAL 81 CO 0.06 0.05 -0.02 0.25 0.02 0.00 0.00 177.57 177.93 1k68 h LEU 82 N 0.28 -0.10 -0.45 2.57 5.85 -0.00 -0.23 115.31 123.23 1k68 h LEU 82 Ca 0.07 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1k68 h LEU 82 Cb -0.03 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1k68 h LEU 82 CO -0.02 -0.03 0.26 0.00 -0.34 0.00 0.00 178.44 178.32 1k68 h ALA 83 N 1.13 0.58 -0.23 1.25 0.00 -1.18 -0.14 119.26 120.67 1k68 h ALA 83 Ca 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1k68 h ALA 83 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k68 h ALA 83 CO -0.13 -0.06 -0.24 0.93 0.00 0.00 0.00 179.25 179.74 1k68 h GLU 84 N 0.52 0.43 -0.06 0.00 5.08 -0.91 -2.10 114.58 117.54 1k68 h GLU 84 Ca 0.19 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1k68 h GLU 84 Cb 0.04 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k68 h GLU 84 CO -0.10 0.65 -0.03 0.82 -1.00 0.00 0.00 179.01 179.35 1k68 h ILE 85 N 0.38 1.33 0.00 3.13 2.04 -0.47 -2.89 117.51 121.03 1k68 h ILE 85 Ca 0.06 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1k68 h ILE 85 Cb 0.64 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1k68 h ILE 85 CO 0.05 0.29 0.00 0.29 0.00 0.00 0.00 178.15 178.77 1k68 n LYS 86 N -4.79 0.12 0.00 2.37 4.76 -0.12 -2.49 118.16 118.02 1k68 n LYS 86 Ca -0.07 0.15 0.11 0.00 -2.87 0.00 0.00 58.31 55.63 1k68 n LYS 86 Cb 0.25 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.81 1k68 n LYS 86 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1k68 n SER 87 N -1.41 0.35 -4.65 4.39 7.64 -0.80 -4.73 113.62 114.40 1k68 n SER 87 Ca 0.06 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 1k68 n SER 87 Cb 0.19 1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 64.91 1k68 n SER 87 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k68 s ASP 88 N -4.13 6.96 0.30 6.43 -1.08 -1.04 -4.93 116.67 119.19 1k68 s ASP 88 Ca -0.03 1.20 0.20 0.00 -0.52 0.00 0.00 52.55 53.40 1k68 s ASP 88 Cb 0.14 -2.48 1.08 0.00 -1.46 0.00 0.00 42.92 40.20 1k68 s ASP 88 CO 0.88 -0.56 1.60 -0.81 0.52 0.00 0.00 175.17 176.81 1k68 n PRO 89 N 6.00 0.13 -0.00 4.34 -0.04 -1.26 -0.02 135.00 144.15 1k68 n PRO 89 Ca 0.08 0.63 0.08 0.00 -0.04 0.00 0.00 63.50 64.25 1k68 n PRO 89 Cb 0.47 -1.94 -0.11 0.00 -0.04 0.00 0.00 33.50 31.89 1k68 n PRO 89 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1k68 n THR 90 N -2.20 0.00 -0.01 0.52 -2.24 -1.26 -4.61 114.28 104.48 1k68 n THR 90 Ca -0.01 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1k68 n THR 90 Cb 0.05 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1k68 n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k68 n LEU 91 N -1.64 0.00 0.23 3.22 4.77 -0.62 -4.72 117.00 118.23 1k68 n LEU 91 Ca 0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 1k68 n LEU 91 Cb 0.32 0.02 0.64 0.00 -2.33 0.00 0.00 43.42 42.07 1k68 n LEU 91 CO 0.34 0.02 0.94 0.07 -1.33 0.00 0.00 177.39 177.43 1k68 h LYS 92 N 0.00 0.00 0.00 3.23 2.10 -0.17 -1.16 116.57 120.57 1k68 h LYS 92 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1k68 h LYS 92 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1k68 h LYS 92 CO 0.00 0.00 -0.84 0.54 -2.00 0.00 0.00 179.45 177.15 1k68 n ARG 93 N -2.45 0.29 -2.18 0.07 1.74 -1.26 -4.87 116.66 108.01 1k68 n ARG 93 Ca -0.02 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1k68 n ARG 93 Cb 0.23 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1k68 n ARG 93 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k68 s ILE 94 N -3.19 3.61 0.26 0.55 1.01 -0.44 -4.80 121.20 118.20 1k68 s ILE 94 Ca 0.05 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 1k68 s ILE 94 Cb 0.14 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 1k68 s ILE 94 CO 0.76 0.00 1.56 -2.84 0.00 0.00 0.00 174.94 174.42 1k68 s PRO 95 N 2.37 4.17 -0.16 2.79 0.02 -1.26 -4.86 135.00 138.06 1k68 s PRO 95 Ca 0.65 2.49 0.01 0.00 0.02 0.00 0.00 61.00 64.16 1k68 s PRO 95 Cb -0.33 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.14 1k68 s PRO 95 CO 0.27 -0.58 -0.17 0.08 -0.33 0.00 0.00 177.00 176.27 1k68 s VAL 96 N 0.19 2.40 -0.32 3.83 1.01 -1.26 -1.29 120.40 124.96 1k68 s VAL 96 Ca 0.64 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1k68 s VAL 96 Cb -0.46 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1k68 s VAL 96 CO 0.44 0.52 0.10 -0.69 0.00 0.00 0.00 175.10 175.47 1k68 s VAL 97 N 1.02 3.91 -0.13 2.92 1.01 0.58 -1.98 120.40 127.74 1k68 s VAL 97 Ca -0.02 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1k68 s VAL 97 Cb -0.15 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1k68 s VAL 97 CO -0.05 -0.04 0.99 -0.69 0.00 0.00 0.00 175.10 175.32 1k68 s VAL 98 N 1.46 4.78 -0.30 2.92 1.01 -0.26 -0.52 120.40 129.49 1k68 s VAL 98 Ca 0.01 2.00 0.01 0.00 0.00 0.00 0.00 61.98 64.00 1k68 s VAL 98 Cb -0.18 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 31.99 1k68 s VAL 98 CO 0.03 -0.01 0.05 -0.22 0.00 0.00 0.00 175.10 174.94 1k68 s LEU 99 N 2.16 3.18 0.22 3.92 2.96 -0.45 0.31 118.68 131.00 1k68 s LEU 99 Ca 0.47 -1.70 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 1k68 s LEU 99 Cb -0.18 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1k68 s LEU 99 CO 0.16 -0.36 0.11 -0.94 -1.32 0.00 0.00 176.35 174.00 1k68 s SER 100 N 1.32 0.64 0.26 3.68 1.04 -0.57 -4.56 113.70 115.51 1k68 s SER 100 Ca 0.06 -1.37 0.20 0.00 0.48 0.00 0.00 55.95 55.33 1k68 s SER 100 Cb -0.18 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.30 1k68 s SER 100 CO -0.15 -0.78 1.24 0.71 0.98 0.00 0.00 173.24 175.24 1k68 h THR 101 N 2.53 0.23 -3.95 2.02 1.35 -1.87 1.29 112.91 114.51 1k68 h THR 101 Ca -0.37 -1.37 -0.54 0.00 -0.55 0.00 0.00 66.41 63.58 1k68 h THR 101 Cb 1.24 1.89 0.11 0.00 -1.73 0.00 0.00 68.15 69.66 1k68 h THR 101 CO 0.57 0.13 0.78 -0.55 -0.25 0.00 0.00 175.52 176.20 1k68 s SER 102 N -5.86 6.31 0.00 5.36 0.15 -1.26 -4.73 113.70 113.66 1k68 s SER 102 Ca 0.02 3.06 0.00 0.00 0.70 0.00 0.00 55.95 59.73 1k68 s SER 102 Cb 0.08 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1k68 s SER 102 CO 0.75 -0.90 0.86 -0.38 1.20 0.00 0.00 173.24 174.77 1k68 n ILE 103 N 0.42 0.72 -1.75 6.45 5.41 -1.26 -4.76 119.36 124.59 1k68 n ILE 103 Ca 0.01 -0.73 -0.42 0.00 1.00 0.00 0.00 62.75 62.61 1k68 n ILE 103 Cb 0.39 0.65 -0.03 0.00 -0.71 0.00 0.00 39.64 39.94 1k68 n ILE 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1k68 s ASN 104 N -0.72 6.37 0.58 4.38 3.84 -1.26 -4.87 114.94 123.26 1k68 s ASN 104 Ca 0.00 2.44 0.28 0.00 0.21 0.00 0.00 52.86 55.79 1k68 s ASN 104 Cb 0.00 -2.53 1.69 0.00 -0.55 0.00 0.00 41.25 39.86 1k68 s ASN 104 CO 0.00 -1.15 2.17 -0.08 -2.79 0.00 0.00 177.10 175.25 1k68 h GLU 105 N 10.92 0.00 -0.28 0.43 4.81 -1.99 -0.98 114.58 127.50 1k68 h GLU 105 Ca -0.46 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 1k68 h GLU 105 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1k68 h GLU 105 CO 0.95 0.00 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.71 1k68 h ASP 106 N 0.00 0.56 -0.60 1.04 3.32 -2.00 -1.30 116.42 117.44 1k68 h ASP 106 Ca 0.05 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1k68 h ASP 106 Cb 0.25 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1k68 h ASP 106 CO -0.00 0.81 0.17 0.44 -1.72 0.00 0.00 179.24 178.94 1k68 h ASP 107 N 0.30 0.89 0.25 6.45 3.32 -1.59 -1.89 116.42 124.16 1k68 h ASP 107 Ca 0.07 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1k68 h ASP 107 Cb 0.57 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1k68 h ASP 107 CO 0.03 0.87 -0.12 0.40 -1.72 0.00 0.00 179.24 178.71 1k68 h ILE 108 N 0.87 0.77 -0.01 0.35 2.04 -1.33 0.23 117.51 120.43 1k68 h ILE 108 Ca 0.19 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1k68 h ILE 108 Cb 0.31 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1k68 h ILE 108 CO -0.00 0.02 -0.12 0.15 0.00 0.00 0.00 178.15 178.19 1k68 h PHE 109 N -0.37 -0.31 -0.74 1.37 3.57 -1.18 -1.97 116.94 117.30 1k68 h PHE 109 Ca -0.03 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1k68 h PHE 109 Cb 0.29 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1k68 h PHE 109 CO -0.05 -0.18 0.27 0.45 -2.23 0.00 0.00 178.31 176.57 1k68 h HIS 110 N -0.20 1.16 -0.51 0.41 3.86 -1.29 -0.16 115.15 118.41 1k68 h HIS 110 Ca 0.05 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1k68 h HIS 110 Cb 0.26 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1k68 h HIS 110 CO -0.18 0.90 0.27 0.77 0.86 0.00 0.00 177.93 180.54 1k68 h SER 111 N 1.08 0.65 0.36 2.45 0.02 -0.74 0.45 113.55 117.83 1k68 h SER 111 Ca 0.24 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1k68 h SER 111 Cb 0.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1k68 h SER 111 CO -0.02 0.56 -0.60 1.88 -1.14 0.00 0.00 176.83 177.52 1k68 h TYR 112 N 0.68 0.30 0.00 3.45 -1.99 -1.21 -1.46 116.97 116.73 1k68 h TYR 112 Ca 0.18 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 1k68 h TYR 112 Cb 0.07 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1k68 h TYR 112 CO -0.01 0.77 -0.26 0.22 -0.00 0.00 0.00 178.16 178.87 1k68 h ASP 113 N 0.17 0.00 -0.19 3.88 -0.00 -0.46 -1.59 116.42 118.23 1k68 h ASP 113 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 1k68 h ASP 113 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 1k68 h ASP 113 CO 0.09 0.26 0.00 0.18 -0.00 0.00 0.00 179.24 179.77 1k68 n LEU 114 N -4.03 1.39 -0.27 2.28 4.77 0.10 -4.92 117.00 116.32 1k68 n LEU 114 Ca -0.02 -0.63 -0.01 0.00 -0.03 0.00 0.00 56.01 55.32 1k68 n LEU 114 Cb 0.33 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1k68 n LEU 114 CO 0.36 0.32 -0.01 1.41 -1.33 0.00 0.00 177.39 178.14 1k68 n HIS 115 N 0.18 -0.09 -2.19 -1.77 8.25 -0.60 -4.80 115.22 114.21 1k68 n HIS 115 Ca 0.13 0.01 -0.37 0.00 -0.26 0.00 0.00 57.72 57.24 1k68 n HIS 115 Cb 0.26 -1.21 0.00 0.00 1.12 0.00 0.00 29.99 30.16 1k68 n HIS 115 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k68 s VAL 116 N -2.26 2.97 0.08 1.59 0.11 -0.57 -4.92 120.40 117.39 1k68 s VAL 116 Ca 0.01 0.68 -0.16 0.00 -2.93 0.00 0.00 61.98 59.58 1k68 s VAL 116 Cb -0.00 -3.32 -0.13 0.00 -1.53 0.00 0.00 36.38 31.40 1k68 s VAL 116 CO 0.01 -0.06 1.34 0.78 -3.33 0.00 0.00 175.10 173.84 1k68 h ASN 117 N 1.65 0.69 -5.01 3.54 2.35 -1.74 -3.45 115.58 113.61 1k68 h ASN 117 Ca -0.50 -0.54 -0.03 0.00 -0.55 0.00 0.00 56.30 54.68 1k68 h ASN 117 Cb 1.26 -0.20 -0.13 0.00 0.05 0.00 0.00 38.32 39.30 1k68 h ASN 117 CO 0.58 1.10 0.15 0.00 -1.65 0.00 0.00 177.43 177.62 1k68 s TYR 119 N -3.42 2.22 -0.04 0.00 5.04 -1.26 -1.11 117.35 118.79 1k68 s TYR 119 Ca -0.00 -0.87 0.02 0.00 -2.44 0.00 0.00 57.07 53.77 1k68 s TYR 119 Cb -0.00 -1.51 0.01 0.00 0.35 0.00 0.00 41.96 40.81 1k68 s TYR 119 CO -0.10 -0.36 -0.09 0.42 -1.34 0.00 0.00 175.55 174.08 1k68 s ILE 120 N 0.39 0.83 -0.25 3.14 1.01 0.15 -4.95 121.20 121.52 1k68 s ILE 120 Ca -0.16 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1k68 s ILE 120 Cb -0.17 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1k68 s ILE 120 CO 0.07 0.28 0.65 -0.89 0.00 0.00 0.00 174.94 175.04 1k68 s THR 121 N 0.56 4.97 0.60 2.92 2.01 -1.26 -1.51 115.64 123.93 1k68 s THR 121 Ca -0.10 1.17 -0.19 0.00 0.31 0.00 0.00 61.69 62.88 1k68 s THR 121 Cb -0.13 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1k68 s THR 121 CO 0.01 0.02 1.11 0.29 -0.69 0.00 0.00 174.62 175.36 1k68 n LYS 122 N 5.73 1.08 -3.59 4.92 5.02 0.44 -4.90 118.16 126.86 1k68 n LYS 122 Ca -0.00 0.41 -0.36 0.00 -2.02 0.00 0.00 58.31 56.34 1k68 n LYS 122 Cb 0.49 -2.32 -0.08 0.00 -0.02 0.00 0.00 35.03 33.10 1k68 n LYS 122 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k68 s SER 123 N -1.22 6.28 0.09 4.39 0.15 -1.26 -4.82 113.70 117.31 1k68 s SER 123 Ca 0.77 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 57.52 1k68 s SER 123 Cb -0.41 -2.15 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 1k68 s SER 123 CO 0.46 0.07 1.35 0.00 1.20 0.00 0.00 173.24 176.32 1k68 h ALA 124 N 7.11 -0.48 -1.77 5.45 0.00 -1.98 -3.38 119.26 124.20 1k68 h ALA 124 Ca -0.39 0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 1k68 h ALA 124 Cb 1.16 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 1k68 h ALA 124 CO 0.72 -0.71 1.48 0.54 0.00 0.00 0.00 179.25 181.28 1k68 s ASN 125 N -4.41 5.17 0.45 0.00 4.22 -1.26 -4.83 114.94 114.28 1k68 s ASN 125 Ca -0.08 1.31 0.11 0.00 -2.14 0.00 0.00 52.86 52.06 1k68 s ASN 125 Cb 0.06 -2.51 0.39 0.00 1.28 0.00 0.00 41.25 40.47 1k68 s ASN 125 CO 0.40 -2.28 0.84 0.18 -2.04 0.00 0.00 177.10 174.20 1k68 n LEU 126 N 12.98 0.00 -0.05 3.54 7.99 -1.26 0.05 117.00 140.24 1k68 n LEU 126 Ca 0.30 0.47 -0.11 0.00 -0.01 0.00 0.00 56.01 56.65 1k68 n LEU 126 Cb 0.49 -0.11 -0.10 0.00 -0.11 0.00 0.00 43.42 43.59 1k68 n LEU 126 CO 0.69 -0.47 0.34 0.77 -1.51 0.00 0.00 177.39 177.21 1k68 h SER 127 N 0.00 -0.01 -0.60 -1.43 4.64 -1.90 -3.01 113.55 111.24 1k68 h SER 127 Ca 0.21 -0.75 0.06 0.00 -0.47 0.00 0.00 61.79 60.85 1k68 h SER 127 Cb 1.83 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.89 1k68 h SER 127 CO -0.00 0.83 0.40 1.56 -0.87 0.00 0.00 176.83 178.75 1k68 h GLN 128 N -0.95 0.56 0.00 4.77 7.50 -0.71 0.37 115.11 126.65 1k68 h GLN 128 Ca -0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.08 1k68 h GLN 128 Cb 0.76 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 1k68 h GLN 128 CO 0.00 0.37 -0.18 1.25 -1.50 0.00 0.00 178.83 178.78 1k68 h LEU 129 N 0.58 0.00 -0.07 1.46 5.85 -1.56 -1.18 115.31 120.38 1k68 h LEU 129 Ca 0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1k68 h LEU 129 Cb 0.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1k68 h LEU 129 CO -0.08 0.18 -0.03 0.15 -0.34 0.00 0.00 178.44 178.32 1k68 h PHE 130 N 0.00 0.17 0.00 1.25 3.57 -0.13 -1.52 116.94 120.28 1k68 h PHE 130 Ca -0.00 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1k68 h PHE 130 Cb 0.36 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1k68 h PHE 130 CO 0.00 0.50 -0.16 0.37 -2.23 0.00 0.00 178.31 176.79 1k68 h GLN 131 N -0.22 0.00 -0.17 1.11 5.75 -0.93 -0.60 115.11 120.06 1k68 h GLN 131 Ca 0.02 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 1k68 h GLN 131 Cb 0.45 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1k68 h GLN 131 CO 0.01 0.16 -0.36 0.82 -2.65 0.00 0.00 178.83 176.81 1k68 h ILE 132 N 0.00 1.35 -0.47 2.39 2.04 -1.05 -1.72 117.51 120.05 1k68 h ILE 132 Ca -0.00 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 1k68 h ILE 132 Cb 0.33 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1k68 h ILE 132 CO 0.02 0.49 0.05 0.58 0.00 0.00 0.00 178.15 179.29 1k68 h VAL 133 N 0.18 1.23 -0.30 1.67 2.07 -0.64 -0.35 116.25 120.11 1k68 h VAL 133 Ca 0.00 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1k68 h VAL 133 Cb 0.96 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1k68 h VAL 133 CO 0.08 0.32 -0.10 0.11 0.02 0.00 0.00 177.57 177.99 1k68 h LYS 134 N 0.70 0.51 -0.44 1.57 1.79 -1.03 0.58 116.57 120.25 1k68 h LYS 134 Ca 0.15 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1k68 h LYS 134 Cb 0.36 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1k68 h LYS 134 CO 0.01 0.61 -0.07 0.78 -1.08 0.00 0.00 179.45 179.70 1k68 h GLY 135 N 0.91 0.90 1.00 3.86 0.00 -0.30 -0.87 103.07 108.57 1k68 h GLY 135 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1k68 h GLY 135 CO 0.03 0.66 0.07 -2.22 0.00 0.00 0.00 176.54 175.07 1k68 h ILE 136 N 0.67 1.03 0.02 2.60 2.04 -0.59 -1.81 117.51 121.47 1k68 h ILE 136 Ca 0.12 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1k68 h ILE 136 Cb 0.60 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1k68 h ILE 136 CO 0.04 0.03 -0.09 -0.08 0.00 0.00 0.00 178.15 178.04 1k68 h GLU 137 N 0.14 -0.16 -0.04 2.37 4.81 -0.70 -0.77 114.58 120.23 1k68 h GLU 137 Ca 0.04 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1k68 h GLU 137 Cb -0.01 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1k68 h GLU 137 CO -0.01 -0.11 0.02 1.49 -0.73 0.00 0.00 179.01 179.67 1k68 h GLU 138 N -0.16 0.06 0.17 1.92 4.81 -1.09 0.44 114.58 120.73 1k68 h GLU 138 Ca 0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1k68 h GLU 138 Cb 0.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1k68 h GLU 138 CO -0.07 0.19 -0.08 0.35 -0.73 0.00 0.00 179.01 178.66 1k68 h PHE 139 N -0.09 -0.22 0.11 0.92 3.57 -1.29 -0.89 116.94 119.05 1k68 h PHE 139 Ca 0.01 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.23 1k68 h PHE 139 Cb 0.15 0.07 0.02 0.00 2.79 0.00 0.00 35.95 38.98 1k68 h PHE 139 CO -0.02 0.02 -1.20 -1.49 -2.23 0.00 0.00 178.31 173.38 1k68 h TRP 140 N -0.43 0.82 -0.11 0.41 4.06 -1.20 0.29 115.95 119.80 1k68 h TRP 140 Ca -0.02 -0.52 0.00 0.00 2.06 0.00 0.00 58.89 60.40 1k68 h TRP 140 Cb 0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1k68 h TRP 140 CO -0.01 1.38 0.00 1.28 -3.56 0.00 0.00 178.44 177.53 1k68 n LEU 141 N -3.72 2.33 0.04 -4.49 4.77 0.14 -4.33 117.00 111.74 1k68 n LEU 141 Ca -0.11 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1k68 n LEU 141 Cb 0.97 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1k68 n LEU 141 CO 0.56 0.43 -0.08 -0.24 -1.33 0.00 0.00 177.39 176.72 1k68 n SER 142 N 0.80 0.04 -0.02 -1.43 2.88 -0.71 -4.95 113.62 110.23 1k68 n SER 142 Ca 0.17 0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.71 1k68 n SER 142 Cb 0.47 0.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 1k68 n SER 142 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1k68 h THR 143 N 0.00 1.40 -4.32 2.46 2.02 -0.85 -3.46 112.91 110.16 1k68 h THR 143 Ca 0.00 -1.25 -0.51 0.00 0.77 0.00 0.00 66.41 65.42 1k68 h THR 143 Cb 0.17 2.19 0.11 0.00 -1.74 0.00 0.00 68.15 68.88 1k68 h THR 143 CO 0.00 0.33 0.34 0.00 0.37 0.00 0.00 175.52 176.57 1k68 s ALA 144 N -4.14 2.45 -0.36 6.16 0.00 0.06 -5.02 121.76 120.91 1k68 s ALA 144 Ca -0.16 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1k68 s ALA 144 Cb 0.02 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1k68 s ALA 144 CO 0.69 -1.51 0.18 0.99 0.00 0.00 0.00 175.76 176.11 1k68 s THR 145 N -2.98 4.40 0.48 0.00 2.01 -1.26 -4.88 115.64 113.40 1k68 s THR 145 Ca 0.60 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 1k68 s THR 145 Cb -0.16 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1k68 s THR 145 CO 0.55 -0.20 0.84 -0.76 -0.69 0.00 0.00 174.62 174.37 1k68 s LEU 146 N 1.52 3.62 0.35 4.42 1.43 -1.26 -4.96 118.68 123.80 1k68 s LEU 146 Ca 0.01 1.15 0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1k68 s LEU 146 Cb -0.19 -4.10 0.65 0.00 0.03 0.00 0.00 46.19 42.58 1k68 s LEU 146 CO 0.06 -0.57 1.79 -0.65 0.23 0.00 0.00 176.35 177.20 1k68 h PRO 147 N 0.55 0.01 0.00 1.29 0.11 -1.93 -3.54 132.00 128.48 1k68 h PRO 147 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k68 h PRO 147 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k68 h PRO 147 CO 0.62 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70