#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ku7 s MET 2 N 0.00 4.11 0.16 1.43 1.00 -1.26 -5.00 119.30 119.74 2ku7 s MET 2 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 55.69 55.38 2ku7 s MET 2 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 34.83 31.44 2ku7 s MET 2 CO 0.00 0.22 1.43 0.52 0.00 0.00 0.00 175.02 177.19 2ku7 h MET 3 N 6.94 0.58 -6.14 2.03 0.00 -2.12 -3.44 114.93 112.78 2ku7 h MET 3 Ca -0.39 -0.42 -0.67 0.00 0.00 0.00 0.00 59.70 58.21 2ku7 h MET 3 Cb 1.16 0.07 -0.15 0.00 0.00 0.00 0.00 31.60 32.68 2ku7 h MET 3 CO 0.72 1.04 -0.65 -0.65 0.00 0.00 0.00 176.91 177.37 2ku7 s GLN 4 N -3.84 2.78 -0.19 1.72 -0.21 -1.26 -5.04 119.66 113.63 2ku7 s GLN 4 Ca -0.08 -0.59 -0.06 0.00 0.02 0.00 0.00 55.36 54.65 2ku7 s GLN 4 Cb 0.10 -2.66 -0.21 0.00 1.00 0.00 0.00 33.01 31.24 2ku7 s GLN 4 CO 0.86 0.64 0.09 0.00 -2.12 0.00 0.00 175.29 174.75 2ku7 n GLY 6 N 1.94 0.77 3.90 0.00 0.00 -1.26 -5.08 105.19 105.47 2ku7 n GLY 6 Ca -0.39 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2ku7 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ku7 s LYS 7 N -2.51 3.54 -0.07 1.61 1.02 -1.26 -5.11 119.74 116.97 2ku7 s LYS 7 Ca 0.00 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.80 2ku7 s LYS 7 Cb 0.00 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2ku7 s LYS 7 CO 0.00 0.55 -0.16 0.00 -0.92 0.00 0.00 175.35 174.82 2ku7 s ASP 9 N 0.41 6.53 0.14 0.00 1.01 -1.26 -5.11 116.67 118.38 2ku7 s ASP 9 Ca -0.13 0.61 0.09 0.00 0.71 0.00 0.00 52.55 53.84 2ku7 s ASP 9 Cb -0.15 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2ku7 s ASP 9 CO 0.05 0.18 -0.21 -0.13 0.21 0.00 0.00 175.17 175.27 2ku7 s ARG 10 N -2.05 1.25 -0.06 8.23 0.52 -1.26 -5.15 118.95 120.44 2ku7 s ARG 10 Ca 0.32 -1.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.15 2ku7 s ARG 10 Cb -0.13 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 2ku7 s ARG 10 CO 0.19 0.33 0.21 -1.58 0.02 0.00 0.00 175.30 174.47 2ku7 s TRP 11 N -1.52 3.60 -0.06 -0.53 0.52 -1.26 -5.10 118.94 114.59 2ku7 s TRP 11 Ca 0.12 0.58 0.05 0.00 0.02 0.00 0.00 56.10 56.87 2ku7 s TRP 11 Cb -0.08 -1.99 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 2ku7 s TRP 11 CO 0.06 0.68 -0.21 0.08 0.02 0.00 0.00 176.95 177.58 2ku7 s VAL 12 N -1.15 2.46 0.21 4.03 1.01 -1.26 -5.04 120.40 120.67 2ku7 s VAL 12 Ca 0.21 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2ku7 s VAL 12 Cb -0.13 -1.93 0.16 0.00 0.00 0.00 0.00 36.38 34.48 2ku7 s VAL 12 CO 0.10 0.57 1.80 0.45 0.00 0.00 0.00 175.10 178.03 2ku7 h HIS 13 N 5.91 1.14 -0.66 5.22 3.86 -2.00 -2.47 115.15 126.15 2ku7 h HIS 13 Ca -0.36 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 58.71 2ku7 h HIS 13 Cb 1.17 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 2ku7 h HIS 13 CO 0.45 0.83 0.09 0.77 0.86 0.00 0.00 177.93 180.93 2ku7 h SER 14 N 1.12 1.06 0.25 2.45 0.02 -1.97 -3.01 113.55 113.47 2ku7 h SER 14 Ca 0.27 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2ku7 h SER 14 Cb 0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2ku7 h SER 14 CO -0.03 1.06 -0.42 0.11 -1.14 0.00 0.00 176.83 176.41 2ku7 h LYS 15 N 1.02 0.22 -0.30 3.45 1.57 -1.96 -3.13 116.57 117.44 2ku7 h LYS 15 Ca 0.20 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2ku7 h LYS 15 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2ku7 h LYS 15 CO 0.02 0.60 -0.12 0.00 -0.57 0.00 0.00 179.45 179.38 2ku7 n GLU 17 N -4.20 -2.81 -2.28 0.00 1.02 -1.18 -4.92 120.64 106.26 2ku7 n GLU 17 Ca 0.01 2.12 -0.29 0.00 -0.02 0.00 0.00 57.16 58.98 2ku7 n GLU 17 Cb 0.33 -3.35 0.00 0.00 -0.02 0.00 0.00 31.44 28.40 2ku7 n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ku7 s ASN 18 N -6.99 6.27 0.02 1.62 2.20 -1.26 -5.06 114.94 111.73 2ku7 s ASN 18 Ca 0.00 1.18 -0.07 0.00 -0.94 0.00 0.00 52.86 53.03 2ku7 s ASN 18 Cb 0.00 -2.36 -0.05 0.00 -2.00 0.00 0.00 41.25 36.84 2ku7 s ASN 18 CO 0.00 -0.71 0.28 -0.22 -2.94 0.00 0.00 177.10 173.52 2ku7 s LEU 19 N -4.89 4.37 0.71 3.54 2.96 -1.26 -5.10 118.68 119.01 2ku7 s LEU 19 Ca 0.51 0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 54.90 2ku7 s LEU 19 Cb -0.11 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2ku7 s LEU 19 CO 0.48 0.24 1.07 -0.94 -1.32 0.00 0.00 176.35 175.88 2ku7 s SER 20 N -1.70 5.20 0.30 3.68 1.04 -1.26 -4.89 113.70 116.08 2ku7 s SER 20 Ca 0.28 1.60 -0.00 0.00 0.48 0.00 0.00 55.95 58.31 2ku7 s SER 20 Cb -0.13 -2.45 0.48 0.00 0.10 0.00 0.00 66.02 64.02 2ku7 s SER 20 CO 0.16 -1.55 1.90 0.44 0.98 0.00 0.00 173.24 175.17 2ku7 h ASP 21 N -0.80 0.79 -0.24 7.02 3.32 -1.99 -1.60 116.42 122.92 2ku7 h ASP 21 Ca -0.44 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 2ku7 h ASP 21 Cb 1.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2ku7 h ASP 21 CO 0.57 0.68 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.64 2ku7 h GLU 22 N 0.87 0.46 -0.32 3.56 4.81 -2.00 -2.89 114.58 119.08 2ku7 h GLU 22 Ca 0.21 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2ku7 h GLU 22 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ku7 h GLU 22 CO -0.03 0.67 -0.35 0.52 -0.73 0.00 0.00 179.01 179.10 2ku7 h MET 23 N 0.21 0.72 -0.63 1.92 2.86 -1.92 -2.86 114.93 115.23 2ku7 h MET 23 Ca 0.06 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2ku7 h MET 23 Cb 0.49 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2ku7 h MET 23 CO 0.02 0.96 0.35 -0.92 1.06 0.00 0.00 176.91 178.37 2ku7 h TYR 24 N 0.60 0.86 -0.33 -0.22 3.20 -1.30 -0.31 116.97 119.48 2ku7 h TYR 24 Ca 0.06 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 2ku7 h TYR 24 Cb 0.88 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 2ku7 h TYR 24 CO 0.04 0.62 -0.45 0.93 -1.64 0.00 0.00 178.16 177.66 2ku7 h GLU 25 N 0.85 0.88 -0.10 1.82 5.08 -1.51 -1.58 114.58 120.03 2ku7 h GLU 25 Ca 0.22 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2ku7 h GLU 25 Cb 0.04 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ku7 h GLU 25 CO -0.04 1.16 -0.11 0.82 -1.00 0.00 0.00 179.01 179.84 2ku7 h ILE 26 N 0.68 1.37 -0.26 3.13 2.04 -1.40 -1.92 117.51 121.15 2ku7 h ILE 26 Ca 0.04 -1.29 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 2ku7 h ILE 26 Cb 1.05 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2ku7 h ILE 26 CO 0.11 0.37 -0.41 -0.07 0.00 0.00 0.00 178.15 178.14 2ku7 h LEU 27 N -0.18 0.66 -0.44 1.44 3.38 -1.14 -3.08 115.31 115.95 2ku7 h LEU 27 Ca 0.01 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 2ku7 h LEU 27 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2ku7 h LEU 27 CO 0.03 0.99 -0.52 0.77 0.09 0.00 0.00 178.44 179.80 2ku7 h SER 28 N 0.51 0.00 -3.53 -0.43 4.64 -1.36 -3.38 113.55 110.01 2ku7 h SER 28 Ca 0.04 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.68 2ku7 h SER 28 Cb 0.92 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.64 2ku7 h SER 28 CO 0.08 0.52 -0.27 0.20 -0.87 0.00 0.00 176.83 176.48 2ku7 s ASN 29 N -6.50 5.52 0.25 4.97 0.01 -0.72 -5.08 114.94 113.39 2ku7 s ASN 29 Ca 0.02 -3.53 0.07 0.00 -0.71 0.00 0.00 52.86 48.71 2ku7 s ASN 29 Cb 0.10 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 2ku7 s ASN 29 CO 0.73 -0.21 0.17 -0.76 -1.51 0.00 0.00 177.10 175.53 2ku7 s LEU 30 N -1.05 3.74 0.68 0.60 1.43 -1.25 -4.72 118.68 118.11 2ku7 s LEU 30 Ca 0.24 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2ku7 s LEU 30 Cb -0.10 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2ku7 s LEU 30 CO -0.11 -0.03 1.04 -2.16 0.23 0.00 0.00 176.35 175.33 2ku7 s PRO 31 N -3.80 2.85 0.59 1.29 0.05 -1.26 -4.97 135.00 129.75 2ku7 s PRO 31 Ca 0.33 0.32 0.33 0.00 0.05 0.00 0.00 61.00 62.03 2ku7 s PRO 31 Cb -0.08 -2.09 1.86 0.00 0.05 0.00 0.00 34.50 34.24 2ku7 s PRO 31 CO 0.24 -0.96 2.22 0.93 0.05 0.00 0.00 177.00 179.49 2ku7 h GLU 32 N -0.53 0.00 -0.96 4.56 5.08 -2.06 -2.25 114.58 118.43 2ku7 h GLU 32 Ca -0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2ku7 h GLU 32 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2ku7 h GLU 32 CO 0.63 0.03 0.02 -1.13 -1.00 0.00 0.00 179.01 177.56 2ku7 n SER 33 N -3.55 1.89 0.00 1.42 3.41 -1.26 -4.44 113.62 111.10 2ku7 n SER 33 Ca -0.02 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 2ku7 n SER 33 Cb 0.13 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2ku7 n SER 33 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2ku7 n VAL 34 N 0.12 1.39 -0.09 -3.33 0.24 -0.85 -2.27 118.33 113.54 2ku7 n VAL 34 Ca 0.04 0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 62.63 2ku7 n VAL 34 Cb 0.43 -1.42 -0.04 0.00 -1.47 0.00 0.00 33.84 31.34 2ku7 n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ku7 h ALA 35 N 1.66 0.44 -4.87 2.33 0.00 -1.89 -3.50 119.26 113.44 2ku7 h ALA 35 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ku7 h ALA 35 Cb 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2ku7 h ALA 35 CO 0.00 0.50 -0.88 0.66 0.00 0.00 0.00 179.25 179.53 2ku7 n TYR 36 N -4.20 -3.31 -4.17 0.00 4.01 -0.96 -5.01 117.16 103.52 2ku7 n TYR 36 Ca -0.04 1.95 -0.25 0.00 -0.16 0.00 0.00 57.90 59.40 2ku7 n TYR 36 Cb 0.50 -3.02 -0.17 0.00 -0.31 0.00 0.00 39.34 36.34 2ku7 n TYR 36 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ku7 s THR 37 N -0.44 0.99 0.08 -0.72 2.01 -1.26 -5.06 115.64 111.23 2ku7 s THR 37 Ca -0.09 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2ku7 s THR 37 Cb 0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 2ku7 s THR 37 CO 0.24 0.34 -0.09 0.00 -0.69 0.00 0.00 174.62 174.42 2ku7 s VAL 39 N -2.28 1.06 -0.39 0.00 0.11 -1.26 -5.13 120.40 112.51 2ku7 s VAL 39 Ca 0.01 -1.18 -0.17 0.00 -2.93 0.00 0.00 61.98 57.71 2ku7 s VAL 39 Cb -0.04 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2ku7 s VAL 39 CO -0.01 -0.17 0.41 0.21 -3.33 0.00 0.00 175.10 172.22 2ku7 s ASN 40 N -1.53 6.19 -0.01 3.54 2.47 -1.26 -5.05 114.94 119.29 2ku7 s ASN 40 Ca -0.02 -0.51 0.02 0.00 0.42 0.00 0.00 52.86 52.78 2ku7 s ASN 40 Cb -0.09 -2.22 -0.00 0.00 -1.45 0.00 0.00 41.25 37.49 2ku7 s ASN 40 CO 0.02 -0.50 -0.07 0.00 -3.72 0.00 0.00 177.10 172.84 2ku7 h THR 42 N 5.12 1.51 -0.15 0.00 1.35 -1.97 -3.16 112.91 115.60 2ku7 h THR 42 Ca -0.30 -2.60 -0.21 0.00 -0.55 0.00 0.00 66.41 62.75 2ku7 h THR 42 Cb 1.18 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 2ku7 h THR 42 CO 0.50 0.75 -0.73 -0.33 -0.25 0.00 0.00 175.52 175.46 2ku7 h GLU 43 N 0.08 0.69 -0.24 4.72 5.08 -2.03 -3.29 114.58 119.59 2ku7 h GLU 43 Ca -0.03 -0.54 -0.13 0.00 -1.00 0.00 0.00 59.36 57.65 2ku7 h GLU 43 Cb 1.44 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2ku7 h GLU 43 CO 0.12 1.16 -0.40 0.00 -1.00 0.00 0.00 179.01 178.89 2ku7 h ARG 44 N 0.48 0.55 -5.84 2.33 2.47 -2.00 -3.43 114.38 108.94 2ku7 h ARG 44 Ca -0.04 -0.28 -0.67 0.00 -1.26 0.00 0.00 59.98 57.73 2ku7 h ARG 44 Cb 1.34 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.45 2ku7 h ARG 44 CO 0.15 0.86 -0.71 -1.01 0.56 0.00 0.00 179.97 179.81 2ku7 s HIS 45 N -4.24 2.89 -0.05 3.04 3.76 -1.20 -5.10 115.29 114.39 2ku7 s HIS 45 Ca -0.07 -0.20 0.06 0.00 -0.15 0.00 0.00 55.06 54.70 2ku7 s HIS 45 Cb 0.12 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 2ku7 s HIS 45 CO 0.82 0.13 -0.24 0.08 -0.85 0.00 0.00 174.74 174.68 2ku7 s VAL 46 N -0.33 1.93 -0.20 -0.90 1.01 -1.26 -4.74 120.40 115.91 2ku7 s VAL 46 Ca 0.04 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 2ku7 s VAL 46 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2ku7 s VAL 46 CO 0.02 0.54 0.74 -0.62 0.00 0.00 0.00 175.10 175.79 2ku7 s ASP 47 N -0.21 6.80 0.00 3.32 2.15 -1.26 -4.10 116.67 123.37 2ku7 s ASP 47 Ca -0.01 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.95 2ku7 s ASP 47 Cb -0.13 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2ku7 s ASP 47 CO 0.03 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2ku7 n GLY 48 N 3.70 3.62 3.57 2.66 0.00 -1.26 -5.08 105.19 112.41 2ku7 n GLY 48 Ca 0.02 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 2ku7 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ku7 s GLY 49 N 0.00 1.92 0.33 -0.02 0.00 -1.26 -4.97 107.32 103.32 2ku7 s GLY 49 Ca 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.65 2ku7 s GLY 49 CO 0.00 0.80 1.82 1.76 0.00 0.00 0.00 173.10 177.48 2ku7 h SER 50 N 8.38 0.39 -0.39 1.64 0.02 -1.98 -3.46 113.55 118.15 2ku7 h SER 50 Ca -0.33 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2ku7 h SER 50 Cb 1.17 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2ku7 h SER 50 CO 0.61 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 2ku7 n GLY 51 N -0.66 1.02 0.00 -3.77 0.00 -1.26 -4.98 105.19 95.54 2ku7 n GLY 51 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ku7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ku7 n GLY 52 N -0.45 1.10 3.31 -0.02 0.00 -1.26 -5.06 105.19 102.80 2ku7 n GLY 52 Ca 0.00 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 2ku7 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ku7 s SER 53 N -0.76 2.74 -0.45 1.61 0.01 -1.26 -5.11 113.70 110.47 2ku7 s SER 53 Ca 0.00 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.41 2ku7 s SER 53 Cb 0.00 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.09 2ku7 s SER 53 CO 0.00 0.11 0.51 -0.83 0.41 0.00 0.00 173.24 173.44 2ku7 s GLY 54 N -1.80 1.85 -0.08 3.44 0.00 -1.26 -4.93 107.32 104.55 2ku7 s GLY 54 Ca 0.09 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 43.09 2ku7 s GLY 54 CO 0.04 1.28 0.59 -1.33 0.00 0.00 0.00 173.10 173.69 2ku7 h GLY 55 N 9.28 0.36 -4.09 0.20 0.00 -2.05 -3.47 103.07 103.30 2ku7 h GLY 55 Ca -0.27 -0.92 -0.69 0.00 0.00 0.00 0.00 47.33 45.45 2ku7 h GLY 55 CO 0.86 0.81 -0.86 -0.56 0.00 0.00 0.00 176.54 176.78 2ku7 s SER 56 N -7.15 3.34 0.00 0.19 0.01 -1.26 -5.02 113.70 103.80 2ku7 s SER 56 Ca -0.18 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2ku7 s SER 56 Cb 0.05 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2ku7 s SER 56 CO 0.81 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.28 2ku7 n GLY 57 N 1.24 0.00 0.00 3.44 0.00 -1.26 -5.16 105.19 103.44 2ku7 n GLY 57 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ku7 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ku7 n GLY 58 N 0.00 0.19 3.29 -0.02 0.00 -1.26 -4.95 105.19 102.44 2ku7 n GLY 58 Ca 0.00 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2ku7 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ku7 s SER 59 N -1.60 2.76 0.02 1.61 0.01 -1.26 -5.15 113.70 110.09 2ku7 s SER 59 Ca 0.00 -0.57 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 2ku7 s SER 59 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 2ku7 s SER 59 CO 0.00 0.19 -0.02 0.00 0.41 0.00 0.00 173.24 173.82 2ku7 s ALA 60 N -0.83 0.10 0.16 1.44 0.00 -1.26 -5.17 121.76 116.20 2ku7 s ALA 60 Ca 0.09 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.58 2ku7 s ALA 60 Cb -0.09 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2ku7 s ALA 60 CO 0.02 -0.16 -0.17 0.95 0.00 0.00 0.00 175.76 176.41 2ku7 s THR 61 N -1.41 1.70 0.00 0.00 -4.23 -1.26 -4.97 115.64 105.47 2ku7 s THR 61 Ca -0.15 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2ku7 s THR 61 Cb -0.10 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2ku7 s THR 61 CO -0.01 -0.39 0.00 0.35 -0.54 0.00 0.00 174.62 174.03 2ku7 n THR 62 N 0.20 0.00 -4.16 3.99 -2.24 -1.26 -4.56 114.28 106.26 2ku7 n THR 62 Ca -0.13 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 2ku7 n THR 62 Cb 0.58 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 2ku7 n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ku7 s LYS 63 N 0.00 3.07 -0.07 -0.78 1.02 -1.26 -0.07 119.74 121.65 2ku7 s LYS 63 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 55.97 55.61 2ku7 s LYS 63 Cb 0.00 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2ku7 s LYS 63 CO 0.00 0.68 -0.21 0.50 -0.92 0.00 0.00 175.35 175.40 2ku7 s ARG 64 N -1.40 2.42 -0.12 1.68 3.52 -1.19 -4.73 118.95 119.14 2ku7 s ARG 64 Ca 0.19 -0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 2ku7 s ARG 64 Cb -0.12 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.28 2ku7 s ARG 64 CO 0.09 0.24 0.01 0.08 -0.81 0.00 0.00 175.30 174.90 2ku7 s VAL 65 N 0.16 4.34 0.20 7.11 1.01 -1.26 -2.13 120.40 129.83 2ku7 s VAL 65 Ca -0.10 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.75 2ku7 s VAL 65 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2ku7 s VAL 65 CO 0.05 0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 174.77 2ku7 s LEU 66 N -0.44 2.51 -0.10 3.92 1.43 0.28 -0.38 118.68 125.90 2ku7 s LEU 66 Ca 0.08 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 2ku7 s LEU 66 Cb -0.12 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2ku7 s LEU 66 CO 0.02 -0.05 0.28 -0.47 0.23 0.00 0.00 176.35 176.37 2ku7 s TYR 67 N -2.39 3.59 -0.14 0.29 6.14 0.21 -0.31 117.35 124.74 2ku7 s TYR 67 Ca 0.21 0.70 -0.02 0.00 0.64 0.00 0.00 57.07 58.61 2ku7 s TYR 67 Cb -0.04 -2.21 0.04 0.00 0.42 0.00 0.00 41.96 40.17 2ku7 s TYR 67 CO 0.09 0.52 0.01 0.14 0.64 0.00 0.00 175.55 176.94 2ku7 s VAL 68 N -0.47 0.52 0.01 3.14 -7.23 0.39 -2.39 120.40 114.38 2ku7 s VAL 68 Ca 0.18 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2ku7 s VAL 68 Cb -0.14 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 2ku7 s VAL 68 CO 0.07 0.04 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.93 2ku7 s GLY 69 N 1.89 0.70 0.00 2.32 0.00 -0.82 -0.28 107.32 111.12 2ku7 s GLY 69 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2ku7 s GLY 69 CO -0.07 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.03 2ku7 n GLY 70 N 2.38 1.99 3.97 0.20 0.00 0.83 -1.01 105.19 113.54 2ku7 n GLY 70 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2ku7 n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ku7 s LEU 71 N 0.00 3.94 0.45 0.99 1.02 0.44 -4.29 118.68 121.23 2ku7 s LEU 71 Ca 0.00 0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.14 2ku7 s LEU 71 Cb 0.00 -2.98 -0.06 0.00 0.02 0.00 0.00 46.19 43.17 2ku7 s LEU 71 CO 0.00 -0.43 0.84 0.00 0.02 0.00 0.00 176.35 176.77 2ku7 s ALA 72 N -2.28 3.28 0.41 4.21 0.00 -1.26 -4.20 121.76 121.92 2ku7 s ALA 72 Ca 0.43 -0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.43 2ku7 s ALA 72 Cb -0.10 -2.80 1.13 0.00 0.00 0.00 0.00 23.12 21.35 2ku7 s ALA 72 CO 0.34 -0.15 1.99 0.93 0.00 0.00 0.00 175.76 178.86 2ku7 h GLU 73 N 0.93 0.00 0.00 0.00 5.08 -1.91 -1.93 114.58 116.75 2ku7 h GLU 73 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2ku7 h GLU 73 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ku7 h GLU 73 CO 0.63 0.20 0.00 0.39 -1.00 0.00 0.00 179.01 179.23 2ku7 n GLU 74 N -3.96 0.90 -3.02 2.33 -0.58 -1.26 -4.84 120.64 110.21 2ku7 n GLU 74 Ca -0.02 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 2ku7 n GLU 74 Cb 0.28 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 2ku7 n GLU 74 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2ku7 s VAL 75 N -2.03 4.41 0.52 2.62 -7.23 -0.73 -5.08 120.40 112.88 2ku7 s VAL 75 Ca 0.44 1.65 0.01 0.00 -1.81 0.00 0.00 61.98 62.27 2ku7 s VAL 75 Cb 0.20 -4.11 -0.00 0.00 0.56 0.00 0.00 36.38 33.03 2ku7 s VAL 75 CO 0.35 0.52 0.05 -1.81 -0.31 0.00 0.00 175.10 173.90 2ku7 s ASP 76 N -1.15 4.20 0.49 4.85 1.01 -1.26 -4.99 116.67 119.82 2ku7 s ASP 76 Ca 0.35 -1.62 0.14 0.00 0.71 0.00 0.00 52.55 52.14 2ku7 s ASP 76 Cb -0.23 0.54 1.17 0.00 1.01 0.00 0.00 42.92 45.41 2ku7 s ASP 76 CO 0.25 -0.90 2.10 0.44 0.21 0.00 0.00 175.17 177.28 2ku7 h ASP 77 N 1.26 0.14 -0.47 0.27 3.32 -1.97 -1.72 116.42 117.26 2ku7 h ASP 77 Ca -0.43 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 2ku7 h ASP 77 Cb 1.32 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2ku7 h ASP 77 CO 0.72 0.10 -0.24 0.11 -1.72 0.00 0.00 179.24 178.21 2ku7 h LYS 78 N 0.16 1.00 -0.17 3.56 1.57 -1.98 -1.04 116.57 119.67 2ku7 h LYS 78 Ca 0.08 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 2ku7 h LYS 78 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2ku7 h LYS 78 CO -0.01 1.12 0.03 0.28 -0.57 0.00 0.00 179.45 180.30 2ku7 h VAL 79 N 0.85 1.22 -0.47 0.50 2.07 -1.73 -0.25 116.25 118.44 2ku7 h VAL 79 Ca 0.10 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 2ku7 h VAL 79 Cb 0.82 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2ku7 h VAL 79 CO 0.07 0.21 -0.18 0.25 0.02 0.00 0.00 177.57 177.95 2ku7 h LEU 80 N 0.07 0.94 -0.11 2.57 6.46 -1.38 -1.80 115.31 122.07 2ku7 h LEU 80 Ca 0.05 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 2ku7 h LEU 80 Cb 0.30 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2ku7 h LEU 80 CO 0.00 1.09 -0.06 -0.74 -0.62 0.00 0.00 178.44 178.11 2ku7 h HIS 81 N 0.81 0.27 0.00 1.25 2.76 -1.16 -2.62 115.15 116.47 2ku7 h HIS 81 Ca 0.12 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2ku7 h HIS 81 Cb 0.73 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 2ku7 h HIS 81 CO 0.04 0.60 -0.04 0.00 -1.30 0.00 0.00 177.93 177.24 2ku7 h ALA 82 N 0.63 1.01 0.06 5.26 0.00 -1.05 0.26 119.26 125.43 2ku7 h ALA 82 Ca 0.02 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 2ku7 h ALA 82 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ku7 h ALA 82 CO 0.02 0.04 -1.43 0.00 0.00 0.00 0.00 179.25 177.88 2ku7 h ALA 83 N 1.96 0.41 -0.10 0.00 0.00 -1.30 -3.33 119.26 116.90 2ku7 h ALA 83 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2ku7 h ALA 83 Cb 0.54 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ku7 h ALA 83 CO 0.00 1.27 0.00 1.19 0.00 0.00 0.00 179.25 181.72 2ku7 n PHE 84 N -3.33 0.10 0.11 0.00 3.72 -0.99 -4.50 117.46 112.58 2ku7 n PHE 84 Ca -0.12 -0.06 -0.02 0.00 -0.05 0.00 0.00 57.45 57.20 2ku7 n PHE 84 Cb 1.02 -0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.76 2ku7 n PHE 84 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 2ku7 h ILE 85 N 4.13 1.35 -0.03 4.37 6.09 -1.05 -3.21 117.51 129.15 2ku7 h ILE 85 Ca 0.00 -1.73 0.01 0.00 -1.37 0.00 0.00 64.86 61.77 2ku7 h ILE 85 Cb 0.89 1.86 -0.00 0.00 0.47 0.00 0.00 36.82 40.04 2ku7 h ILE 85 CO 0.00 0.51 0.05 -0.65 -3.07 0.00 0.00 178.15 174.98 2ku7 h PRO 86 N 0.12 0.00 0.04 2.19 0.11 -1.80 -2.20 132.00 130.46 2ku7 h PRO 86 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.89 2ku7 h PRO 86 Cb 0.93 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2ku7 h PRO 86 CO 0.07 0.00 -1.07 0.74 -0.21 0.00 0.00 178.00 177.54 2ku7 h PHE 87 N 0.00 0.15 0.00 0.65 0.04 -1.89 -3.50 116.94 112.39 2ku7 h PHE 87 Ca 0.02 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2ku7 h PHE 87 Cb 0.11 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.25 2ku7 h PHE 87 CO 0.00 1.08 0.00 0.41 -0.60 0.00 0.00 178.31 179.20 2ku7 n GLY 88 N 1.39 -0.64 3.76 -1.45 0.00 -0.83 -4.88 105.19 102.54 2ku7 n GLY 88 Ca -0.02 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 2ku7 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ku7 s ASP 89 N -4.00 7.30 -0.04 1.61 1.11 -1.26 -4.48 116.67 116.91 2ku7 s ASP 89 Ca 0.00 1.55 0.05 0.00 0.18 0.00 0.00 52.55 54.33 2ku7 s ASP 89 Cb 0.00 -2.49 -0.02 0.00 1.07 0.00 0.00 42.92 41.48 2ku7 s ASP 89 CO 0.00 0.08 -0.19 -0.63 1.18 0.00 0.00 175.17 175.61 2ku7 s ILE 90 N -0.45 2.63 -0.14 0.77 1.01 -1.26 -2.90 121.20 120.86 2ku7 s ILE 90 Ca 0.38 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2ku7 s ILE 90 Cb -0.22 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2ku7 s ILE 90 CO 0.25 0.58 -0.21 0.35 0.00 0.00 0.00 174.94 175.91 2ku7 n THR 91 N 2.45 1.26 -3.93 2.92 -2.24 0.20 -4.85 114.28 110.09 2ku7 n THR 91 Ca -0.17 0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 2ku7 n THR 91 Cb 0.52 -2.27 -0.10 0.00 -2.10 0.00 0.00 70.33 66.38 2ku7 n THR 91 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ku7 s ASP 92 N -5.53 0.17 -0.14 3.42 1.01 -1.23 -5.03 116.67 109.34 2ku7 s ASP 92 Ca -0.17 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 52.62 2ku7 s ASP 92 Cb 0.02 0.20 0.01 0.00 1.01 0.00 0.00 42.92 44.17 2ku7 s ASP 92 CO 0.26 -0.46 -0.22 -0.63 0.21 0.00 0.00 175.17 174.33 2ku7 s ILE 93 N -2.28 2.09 -0.14 0.77 -1.09 -1.26 -1.48 121.20 117.81 2ku7 s ILE 93 Ca -0.08 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 2ku7 s ILE 93 Cb -0.03 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2ku7 s ILE 93 CO -0.03 0.55 -0.20 -1.58 -1.23 0.00 0.00 174.94 172.45 2ku7 s GLN 94 N 0.77 3.09 -0.22 2.79 2.00 -0.87 -5.00 119.66 122.23 2ku7 s GLN 94 Ca -0.08 -0.82 0.00 0.00 -2.00 0.00 0.00 55.36 52.46 2ku7 s GLN 94 Cb -0.16 -2.47 0.06 0.00 0.80 0.00 0.00 33.01 31.24 2ku7 s GLN 94 CO -0.01 0.03 -0.04 0.42 -0.50 0.00 0.00 175.29 175.19 2ku7 s ILE 95 N 0.73 1.33 0.17 -2.34 1.09 -1.26 -0.77 121.20 120.16 2ku7 s ILE 95 Ca -0.08 -1.04 -0.32 0.00 -1.10 0.00 0.00 60.65 58.10 2ku7 s ILE 95 Cb -0.16 -1.62 -0.12 0.00 -1.06 0.00 0.00 42.46 39.50 2ku7 s ILE 95 CO 0.00 -0.08 1.74 -2.65 -0.10 0.00 0.00 174.94 173.85 2ku7 n PRO 96 N 4.75 2.68 -4.97 2.79 -0.02 -1.26 -5.01 135.00 133.96 2ku7 n PRO 96 Ca -0.12 0.97 -0.28 0.00 -2.02 0.00 0.00 63.50 62.05 2ku7 n PRO 96 Cb 0.45 -2.82 -0.16 0.00 -0.02 0.00 0.00 33.50 30.95 2ku7 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ku7 s LEU 97 N 1.64 1.95 0.01 2.45 2.96 -1.26 -4.69 118.68 121.74 2ku7 s LEU 97 Ca 0.78 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 54.12 2ku7 s LEU 97 Cb -0.53 -1.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 2ku7 s LEU 97 CO 0.35 0.17 0.45 -1.81 -1.32 0.00 0.00 176.35 174.19 2ku7 s ASP 98 N 0.07 6.87 0.38 3.68 1.01 -1.26 -4.96 116.67 122.46 2ku7 s ASP 98 Ca -0.06 1.04 0.09 0.00 0.71 0.00 0.00 52.55 54.33 2ku7 s ASP 98 Cb -0.13 -2.28 0.76 0.00 1.01 0.00 0.00 42.92 42.28 2ku7 s ASP 98 CO 0.03 0.30 1.90 1.88 0.21 0.00 0.00 175.17 179.49 2ku7 h TYR 99 N 4.73 0.24 -0.56 4.23 0.05 -1.97 0.67 116.97 124.36 2ku7 h TYR 99 Ca -0.51 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.18 2ku7 h TYR 99 Cb 1.22 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 2ku7 h TYR 99 CO 0.70 0.39 0.10 1.49 -1.05 0.00 0.00 178.16 179.78 2ku7 h GLU 100 N 0.21 0.92 0.00 4.88 4.57 -2.00 -3.36 114.58 119.80 2ku7 h GLU 100 Ca 0.04 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2ku7 h GLU 100 Cb 0.42 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2ku7 h GLU 100 CO 0.03 0.88 -1.15 0.25 -1.18 0.00 0.00 179.01 177.83 2ku7 n THR 101 N -4.36 0.05 -1.82 0.32 -2.24 -1.21 -5.02 114.28 100.02 2ku7 n THR 101 Ca 0.02 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 2ku7 n THR 101 Cb 0.26 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 2ku7 n THR 101 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ku7 n GLU 102 N -1.75 -1.52 -4.33 -0.78 1.02 0.23 -4.98 120.64 108.54 2ku7 n GLU 102 Ca -0.02 1.18 -0.22 0.00 -0.02 0.00 0.00 57.16 58.08 2ku7 n GLU 102 Cb 0.22 -5.65 -0.11 0.00 -0.02 0.00 0.00 31.44 25.88 2ku7 n GLU 102 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ku7 s LYS 103 N -4.12 1.26 0.18 3.49 1.02 -1.26 -4.87 119.74 115.44 2ku7 s LYS 103 Ca 0.00 -1.38 0.07 0.00 0.02 0.00 0.00 55.97 54.68 2ku7 s LYS 103 Cb 0.00 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 2ku7 s LYS 103 CO 0.00 0.28 0.02 -3.38 -0.92 0.00 0.00 175.35 171.35 2ku7 s HIS 104 N -1.92 2.88 -0.94 3.18 -3.43 -1.26 -4.31 115.29 109.50 2ku7 s HIS 104 Ca 0.15 -0.12 0.28 0.00 -0.80 0.00 0.00 55.06 54.56 2ku7 s HIS 104 Cb -0.06 -1.39 1.12 0.00 -1.43 0.00 0.00 32.58 30.82 2ku7 s HIS 104 CO 0.06 0.52 1.88 0.54 -2.00 0.00 0.00 174.74 175.74 2ku7 n ARG 105 N -0.19 0.06 0.00 -0.38 1.74 -1.26 -4.79 116.66 111.84 2ku7 n ARG 105 Ca -0.09 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2ku7 n ARG 105 Cb 0.55 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2ku7 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ku7 n GLY 106 N 1.39 0.97 3.09 -0.13 0.00 -1.26 -4.84 105.19 104.42 2ku7 n GLY 106 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2ku7 n GLY 106 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ku7 s PHE 107 N -1.77 -0.09 0.30 1.61 -0.71 -1.26 -0.12 117.98 115.94 2ku7 s PHE 107 Ca 0.00 0.19 -0.14 0.00 -1.04 0.00 0.00 56.93 55.94 2ku7 s PHE 107 Cb 0.00 0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.84 2ku7 s PHE 107 CO 0.00 -0.20 0.60 0.00 -1.34 0.00 0.00 175.22 174.28 2ku7 s ALA 108 N -0.67 -0.44 0.03 1.99 0.00 0.61 -4.48 121.76 118.80 2ku7 s ALA 108 Ca -0.08 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.15 2ku7 s ALA 108 Cb -0.04 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 2ku7 s ALA 108 CO 0.01 -0.92 -0.18 -0.06 0.00 0.00 0.00 175.76 174.62 2ku7 s PHE 109 N -3.50 2.57 -0.11 0.00 0.40 0.05 -0.46 117.98 116.94 2ku7 s PHE 109 Ca 0.19 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2ku7 s PHE 109 Cb -0.03 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 2ku7 s PHE 109 CO 0.11 0.24 -0.17 0.54 0.70 0.00 0.00 175.22 176.64 2ku7 s VAL 110 N -0.90 2.70 -0.19 -0.44 0.11 0.57 -2.05 120.40 120.20 2ku7 s VAL 110 Ca 0.14 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.34 2ku7 s VAL 110 Cb -0.10 -2.10 -0.03 0.00 -1.53 0.00 0.00 36.38 32.62 2ku7 s VAL 110 CO 0.05 0.54 0.03 -0.70 -3.33 0.00 0.00 175.10 171.69 2ku7 s GLU 111 N 0.24 3.77 -0.03 1.54 2.12 -0.55 -0.56 118.70 125.23 2ku7 s GLU 111 Ca -0.11 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 54.80 2ku7 s GLU 111 Cb -0.16 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 2ku7 s GLU 111 CO 0.06 0.12 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.76 2ku7 s PHE 112 N 0.74 2.86 0.28 5.30 0.40 -0.91 -0.63 117.98 126.02 2ku7 s PHE 112 Ca 0.02 -0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2ku7 s PHE 112 Cb -0.14 -1.64 0.39 0.00 0.51 0.00 0.00 43.02 42.14 2ku7 s PHE 112 CO 0.02 0.32 1.81 1.49 0.70 0.00 0.00 175.22 179.57 2ku7 h GLU 113 N 4.94 0.81 -5.18 0.44 4.81 -1.85 -3.14 114.58 115.41 2ku7 h GLU 113 Ca -0.48 -0.18 -0.66 0.00 -0.13 0.00 0.00 59.36 57.91 2ku7 h GLU 113 Cb 1.17 -0.12 -0.30 0.00 0.63 0.00 0.00 28.75 30.13 2ku7 h GLU 113 CO 0.52 0.75 -0.79 -0.51 -0.73 0.00 0.00 179.01 178.25 2ku7 s LEU 114 N -9.29 2.55 0.61 1.64 1.02 -1.26 -4.12 118.68 109.82 2ku7 s LEU 114 Ca -0.10 -0.45 0.34 0.00 0.02 0.00 0.00 54.13 53.95 2ku7 s LEU 114 Cb 0.15 -1.59 1.98 0.00 0.02 0.00 0.00 46.19 46.76 2ku7 s LEU 114 CO 0.80 0.08 2.28 0.00 0.02 0.00 0.00 176.35 179.53 2ku7 h ALA 115 N 7.35 1.34 -0.10 4.21 0.00 -0.73 -2.50 119.26 128.83 2ku7 h ALA 115 Ca -0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2ku7 h ALA 115 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ku7 h ALA 115 CO 0.58 0.01 -0.05 0.93 0.00 0.00 0.00 179.25 180.72 2ku7 h GLU 116 N 0.00 0.22 -0.11 0.00 4.39 -1.95 -1.90 114.58 115.23 2ku7 h GLU 116 Ca -0.00 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 2ku7 h GLU 116 Cb 0.04 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2ku7 h GLU 116 CO 0.00 0.56 -0.42 0.38 -1.16 0.00 0.00 179.01 178.38 2ku7 h ASP 117 N -0.14 0.25 -0.46 1.42 3.04 -1.82 -2.54 116.42 116.17 2ku7 h ASP 117 Ca 0.02 -0.10 -0.08 0.00 -3.24 0.00 0.00 57.03 53.63 2ku7 h ASP 117 Cb 0.50 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 38.70 2ku7 h ASP 117 CO 0.01 0.64 -0.03 0.00 -2.04 0.00 0.00 179.24 177.83 2ku7 h ALA 118 N 1.37 0.63 -0.01 4.15 0.00 -1.45 -2.27 119.26 121.67 2ku7 h ALA 118 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2ku7 h ALA 118 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ku7 h ALA 118 CO 0.06 0.45 -0.19 0.00 0.00 0.00 0.00 179.25 179.58 2ku7 h ALA 119 N 0.90 1.67 -0.17 0.00 0.00 -1.21 -1.58 119.26 118.87 2ku7 h ALA 119 Ca 0.13 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2ku7 h ALA 119 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ku7 h ALA 119 CO 0.03 0.25 -0.36 0.00 0.00 0.00 0.00 179.25 179.17 2ku7 h ALA 120 N 1.80 1.07 -0.40 0.00 0.00 -1.04 -2.82 119.26 117.86 2ku7 h ALA 120 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2ku7 h ALA 120 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ku7 h ALA 120 CO 0.02 0.58 -0.23 0.00 0.00 0.00 0.00 179.25 179.63 2ku7 h ALA 121 N 1.31 0.85 -0.27 0.00 0.00 -0.73 -2.03 119.26 118.38 2ku7 h ALA 121 Ca 0.03 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2ku7 h ALA 121 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ku7 h ALA 121 CO 0.06 0.64 -0.46 0.82 0.00 0.00 0.00 179.25 180.31 2ku7 h ILE 122 N 0.70 1.29 0.00 0.00 2.04 -1.36 -2.07 117.51 118.10 2ku7 h ILE 122 Ca 0.09 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2ku7 h ILE 122 Cb 0.75 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2ku7 h ILE 122 CO 0.06 0.53 -0.25 -2.24 0.00 0.00 0.00 178.15 176.26 2ku7 h ASP 123 N 0.57 0.00 0.02 1.72 3.04 -1.48 -3.15 116.42 117.14 2ku7 h ASP 123 Ca 0.03 -0.05 -0.34 0.00 -3.24 0.00 0.00 57.03 53.44 2ku7 h ASP 123 Cb 1.02 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.26 2ku7 h ASP 123 CO 0.10 0.02 -1.86 0.59 -2.04 0.00 0.00 179.24 176.05 2ku7 n ASN 124 N -2.49 1.94 -2.75 4.15 3.02 -0.77 -4.73 115.26 113.62 2ku7 n ASN 124 Ca 0.04 0.32 -0.19 0.00 -0.03 0.00 0.00 54.58 54.72 2ku7 n ASN 124 Cb 0.47 -0.86 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2ku7 n ASN 124 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2ku7 n MET 125 N -4.15 2.12 -0.15 3.52 2.81 -0.78 -4.88 117.12 115.61 2ku7 n MET 125 Ca -0.40 -3.91 -0.05 0.00 -1.81 0.00 0.00 57.70 51.53 2ku7 n MET 125 Cb 0.82 -1.79 0.14 0.00 -0.71 0.00 0.00 33.22 31.68 2ku7 n MET 125 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2ku7 h ASN 126 N 2.87 0.84 -2.02 7.83 -0.73 -1.70 -3.37 115.58 119.31 2ku7 h ASN 126 Ca 0.09 -0.19 -0.52 0.00 1.87 0.00 0.00 56.30 57.56 2ku7 h ASN 126 Cb 0.95 -0.22 -0.35 0.00 0.27 0.00 0.00 38.32 38.98 2ku7 h ASN 126 CO 0.65 0.86 -0.93 -0.62 -0.37 0.00 0.00 177.43 177.02 2ku7 n GLU 127 N -4.23 0.37 -4.47 6.67 1.02 -1.24 -1.17 120.64 117.59 2ku7 n GLU 127 Ca 0.03 -2.99 -0.24 0.00 -0.02 0.00 0.00 57.16 53.94 2ku7 n GLU 127 Cb 0.27 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 2ku7 n GLU 127 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2ku7 s SER 128 N -0.21 3.64 -0.29 1.62 0.01 -1.15 -4.89 113.70 112.44 2ku7 s SER 128 Ca 0.33 -1.04 -0.20 0.00 1.31 0.00 0.00 55.95 56.35 2ku7 s SER 128 Cb 0.07 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 2ku7 s SER 128 CO -0.16 0.00 0.62 -0.70 0.41 0.00 0.00 173.24 173.41 2ku7 s GLU 129 N -3.53 3.97 -0.06 12.44 2.12 -1.26 -0.68 118.70 131.70 2ku7 s GLU 129 Ca 0.30 0.37 0.02 0.00 0.36 0.00 0.00 54.97 56.02 2ku7 s GLU 129 Cb -0.04 -3.70 0.01 0.00 0.26 0.00 0.00 34.13 30.66 2ku7 s GLU 129 CO 0.15 -0.51 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.07 2ku7 s LEU 130 N 2.56 1.64 -0.97 2.70 2.96 0.13 -4.75 118.68 122.95 2ku7 s LEU 130 Ca 0.25 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2ku7 s LEU 130 Cb -0.15 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.75 2ku7 s LEU 130 CO 0.11 0.04 0.00 0.33 -1.32 0.00 0.00 176.35 175.50 2ku7 n PHE 131 N 3.77 0.00 -0.19 5.38 -0.00 -1.26 -1.56 117.46 123.59 2ku7 n PHE 131 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.22 2ku7 n PHE 131 Cb 0.52 -2.40 0.00 0.00 -0.00 0.00 0.00 39.48 37.60 2ku7 n PHE 131 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ku7 n GLY 132 N -0.18 0.74 3.30 7.13 0.00 -1.26 -4.92 105.19 110.00 2ku7 n GLY 132 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2ku7 n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ku7 s ARG 133 N -0.81 1.18 0.04 1.61 0.52 -0.60 -5.11 118.95 115.78 2ku7 s ARG 133 Ca 0.00 -1.36 -0.27 0.00 -0.52 0.00 0.00 55.73 53.58 2ku7 s ARG 133 Cb 0.00 -1.14 -0.05 0.00 0.52 0.00 0.00 34.95 34.28 2ku7 s ARG 133 CO 0.00 0.22 0.84 0.99 0.02 0.00 0.00 175.30 177.37 2ku7 s THR 134 N -2.19 4.74 0.15 0.02 2.01 -1.26 0.20 115.64 119.31 2ku7 s THR 134 Ca 0.14 1.77 0.10 0.00 0.31 0.00 0.00 61.69 64.01 2ku7 s THR 134 Cb -0.05 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2ku7 s THR 134 CO 0.05 0.31 -0.21 0.27 -0.69 0.00 0.00 174.62 174.35 2ku7 s ILE 135 N 0.22 2.60 -0.06 1.82 -4.36 0.14 -4.24 121.20 117.33 2ku7 s ILE 135 Ca 0.42 -1.74 0.05 0.00 -0.26 0.00 0.00 60.65 59.12 2ku7 s ILE 135 Cb -0.21 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 2ku7 s ILE 135 CO 0.25 0.01 -0.21 -0.13 0.24 0.00 0.00 174.94 175.09 2ku7 s ARG 136 N -2.36 2.24 -0.03 0.37 0.52 -0.18 -2.91 118.95 116.59 2ku7 s ARG 136 Ca 0.19 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2ku7 s ARG 136 Cb -0.09 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2ku7 s ARG 136 CO 0.10 0.30 -0.11 0.14 0.02 0.00 0.00 175.30 175.74 2ku7 s VAL 137 N -0.01 0.94 0.28 3.52 -7.23 -0.32 -1.95 120.40 115.63 2ku7 s VAL 137 Ca -0.05 -0.43 -0.14 0.00 -1.81 0.00 0.00 61.98 59.55 2ku7 s VAL 137 Cb -0.13 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 35.99 2ku7 s VAL 137 CO 0.03 0.29 0.57 0.20 -0.31 0.00 0.00 175.10 175.88 2ku7 s ASN 138 N 0.23 0.01 0.11 4.85 0.01 -1.01 -4.73 114.94 114.41 2ku7 s ASN 138 Ca -0.05 -0.95 -0.31 0.00 -0.71 0.00 0.00 52.86 50.84 2ku7 s ASN 138 Cb -0.10 0.66 -0.08 0.00 0.41 0.00 0.00 41.25 42.14 2ku7 s ASN 138 CO 0.01 -1.28 1.39 -0.22 -1.51 0.00 0.00 177.10 175.49 2ku7 s LEU 139 N -3.03 4.37 0.00 0.60 0.20 -1.26 0.67 118.68 120.22 2ku7 s LEU 139 Ca 0.20 2.31 0.24 0.00 0.69 0.00 0.00 54.13 57.57 2ku7 s LEU 139 Cb -0.02 -3.58 0.19 0.00 -0.43 0.00 0.00 46.19 42.34 2ku7 s LEU 139 CO 0.10 -0.66 1.26 0.00 -0.29 0.00 0.00 176.35 176.77