#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 4.03 -0.13 -1.46 1.00 -1.26 -4.97 119.30 116.51 2ku7 s MET 2 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 55.69 55.40 2ku7 s MET 2 Cb 0.00 -3.59 -0.26 0.00 0.00 0.00 0.00 34.83 30.98 2ku7 s MET 2 CO 0.00 -0.07 0.34 -1.33 0.00 0.00 0.00 175.02 173.96 2ku7 n MET 3 N 4.69 0.75 -4.33 2.03 2.81 -1.26 -4.97 117.12 116.85 2ku7 n MET 3 Ca -0.13 0.27 -0.23 0.00 -1.81 0.00 0.00 57.70 55.79 2ku7 n MET 3 Cb 0.52 -1.70 -0.12 0.00 -0.71 0.00 0.00 33.22 31.21 2ku7 n MET 3 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2ku7 s GLN 4 N -2.55 1.25 -0.07 0.03 -0.21 -1.26 -5.15 119.66 111.70 2ku7 s GLN 4 Ca -0.23 -1.34 0.03 0.00 0.02 0.00 0.00 55.36 53.84 2ku7 s GLN 4 Cb 0.07 -1.40 0.01 0.00 1.00 0.00 0.00 33.01 32.68 2ku7 s GLN 4 CO 0.76 0.30 -0.16 0.00 -2.12 0.00 0.00 175.29 174.07 2ku7 n GLY 6 N 3.58 2.87 3.88 0.00 0.00 -1.26 -5.15 105.19 109.11 2ku7 n GLY 6 Ca -0.21 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 1.81 3.71 -0.07 1.61 1.02 -1.26 -5.10 119.74 121.45 2ku7 s LYS 7 Ca 0.00 0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.10 2ku7 s LYS 7 Cb 0.00 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 2ku7 s LYS 7 CO 0.00 0.44 -0.18 0.00 -0.92 0.00 0.00 175.35 174.69 2ku7 s ASP 9 N 0.36 7.04 0.11 0.00 1.01 -1.26 -5.08 116.67 118.86 2ku7 s ASP 9 Ca -0.13 1.24 0.08 0.00 0.71 0.00 0.00 52.55 54.45 2ku7 s ASP 9 Cb -0.16 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2ku7 s ASP 9 CO 0.05 0.00 -0.19 -0.13 0.21 0.00 0.00 175.17 175.11 2ku7 s ARG 10 N 0.19 1.12 -0.41 8.23 0.52 -1.26 -5.12 118.95 122.22 2ku7 s ARG 10 Ca 0.35 -1.19 -0.19 0.00 -0.52 0.00 0.00 55.73 54.18 2ku7 s ARG 10 Cb -0.19 -1.29 0.01 0.00 0.52 0.00 0.00 34.95 34.00 2ku7 s ARG 10 CO 0.19 0.29 0.53 1.67 0.02 0.00 0.00 175.30 178.00 2ku7 s TRP 11 N -1.40 3.13 0.04 -0.53 -2.14 -1.26 -5.04 118.94 111.75 2ku7 s TRP 11 Ca 0.07 -0.10 0.05 0.00 2.66 0.00 0.00 56.10 58.78 2ku7 s TRP 11 Cb -0.09 -3.07 -0.02 0.00 -3.10 0.00 0.00 33.47 27.19 2ku7 s TRP 11 CO 0.04 -0.72 -0.14 0.08 -2.66 0.00 0.00 176.95 173.55 2ku7 s VAL 12 N 2.46 1.14 0.32 -0.66 1.01 -1.26 -5.05 120.40 118.35 2ku7 s VAL 12 Ca 0.18 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2ku7 s VAL 12 Cb -0.16 -1.03 0.29 0.00 0.00 0.00 0.00 36.38 35.48 2ku7 s VAL 12 CO 0.15 0.02 1.92 0.45 0.00 0.00 0.00 175.10 177.64 2ku7 h HIS 13 N 4.93 0.98 -0.52 5.22 3.86 -2.02 -2.35 115.15 125.25 2ku7 h HIS 13 Ca -0.38 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 58.79 2ku7 h HIS 13 Cb 1.18 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 2ku7 h HIS 13 CO 0.53 0.50 0.06 0.77 0.86 0.00 0.00 177.93 180.65 2ku7 h SER 14 N 0.95 0.79 0.22 2.45 0.02 -1.97 -2.91 113.55 113.10 2ku7 h SER 14 Ca 0.38 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2ku7 h SER 14 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2ku7 h SER 14 CO -0.14 0.82 -0.21 0.11 -1.14 0.00 0.00 176.83 176.26 2ku7 h LYS 15 N 0.78 0.00 -0.93 3.45 1.57 -1.83 -3.05 116.57 116.56 2ku7 h LYS 15 Ca 0.16 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2ku7 h LYS 15 Cb 0.39 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 2ku7 h LYS 15 CO 0.01 0.21 0.61 0.00 -0.57 0.00 0.00 179.45 179.71 2ku7 s GLU 17 N -5.98 3.58 -0.07 0.00 2.12 -1.15 -5.09 118.70 112.11 2ku7 s GLU 17 Ca -0.12 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.68 2ku7 s GLU 17 Cb 0.19 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.52 2ku7 s GLU 17 CO 0.80 -0.03 -0.04 -0.80 -0.54 0.00 0.00 175.26 174.65 2ku7 s ASN 18 N 1.11 1.47 -0.06 -1.70 0.01 -1.26 -4.94 114.94 109.57 2ku7 s ASN 18 Ca 0.02 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 2ku7 s ASN 18 Cb -0.14 -0.56 -0.03 0.00 0.41 0.00 0.00 41.25 40.93 2ku7 s ASN 18 CO 0.01 -0.10 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.23 2ku7 s LEU 19 N 1.38 3.26 0.71 0.60 2.96 -1.26 -5.11 118.68 121.22 2ku7 s LEU 19 Ca -0.03 0.00 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2ku7 s LEU 19 Cb -0.13 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.85 2ku7 s LEU 19 CO -0.03 0.36 1.21 -0.44 -1.32 0.00 0.00 176.35 176.13 2ku7 s SER 20 N -0.91 4.34 0.28 3.68 0.01 -1.26 -4.88 113.70 114.96 2ku7 s SER 20 Ca 0.13 2.36 -0.03 0.00 1.31 0.00 0.00 55.95 59.73 2ku7 s SER 20 Cb -0.11 -2.59 0.39 0.00 0.21 0.00 0.00 66.02 63.91 2ku7 s SER 20 CO 0.02 -2.16 1.90 0.44 0.41 0.00 0.00 173.24 173.85 2ku7 h ASP 21 N -0.13 0.93 -0.25 2.44 3.32 -2.00 -2.53 116.42 118.20 2ku7 h ASP 21 Ca -0.48 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.36 2ku7 h ASP 21 Cb 1.30 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2ku7 h ASP 21 CO 0.51 0.76 -0.37 -0.33 -1.72 0.00 0.00 179.24 178.09 2ku7 h GLU 22 N 1.04 0.68 -0.60 3.56 5.08 -2.00 -2.92 114.58 119.42 2ku7 h GLU 22 Ca 0.26 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2ku7 h GLU 22 Cb 0.04 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2ku7 h GLU 22 CO -0.04 1.02 0.10 0.52 -1.00 0.00 0.00 179.01 179.61 2ku7 h MET 23 N 0.40 0.97 -0.16 2.33 2.86 -1.91 -1.26 114.93 118.16 2ku7 h MET 23 Ca 0.02 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2ku7 h MET 23 Cb 0.95 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 2ku7 h MET 23 CO 0.08 0.89 -0.10 -0.92 1.06 0.00 0.00 176.91 177.93 2ku7 h TYR 24 N 0.92 0.40 -0.17 -0.22 3.20 -1.51 -2.51 116.97 117.08 2ku7 h TYR 24 Ca 0.19 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 2ku7 h TYR 24 Cb 0.39 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2ku7 h TYR 24 CO 0.03 0.68 -0.37 0.93 -1.64 0.00 0.00 178.16 177.79 2ku7 h GLU 25 N 0.00 0.55 -0.24 1.82 4.39 -1.48 -2.22 114.58 117.40 2ku7 h GLU 25 Ca 0.03 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.32 2ku7 h GLU 25 Cb 0.59 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2ku7 h GLU 25 CO 0.03 0.97 -0.03 0.82 -1.16 0.00 0.00 179.01 179.64 2ku7 h ILE 26 N 0.19 1.27 -0.40 3.13 2.04 -1.33 0.24 117.51 122.65 2ku7 h ILE 26 Ca 0.00 -0.98 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 2ku7 h ILE 26 Cb 0.97 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2ku7 h ILE 26 CO 0.08 0.31 -0.32 -0.07 0.00 0.00 0.00 178.15 178.15 2ku7 h LEU 27 N 0.20 0.97 -0.26 1.44 3.38 -1.56 -3.17 115.31 116.31 2ku7 h LEU 27 Ca 0.06 -0.44 -0.21 0.00 0.09 0.00 0.00 57.88 57.38 2ku7 h LEU 27 Cb 0.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ku7 h LEU 27 CO 0.02 1.21 -0.83 0.28 0.09 0.00 0.00 178.44 179.21 2ku7 h SER 28 N 0.74 0.59 -4.20 -0.43 0.02 -1.43 -3.39 113.55 105.47 2ku7 h SER 28 Ca 0.07 -0.42 -0.68 0.00 -0.84 0.00 0.00 61.79 59.92 2ku7 h SER 28 Cb 0.91 -0.18 -0.37 0.00 0.14 0.00 0.00 62.40 62.90 2ku7 h SER 28 CO 0.08 1.20 -0.46 0.20 -1.14 0.00 0.00 176.83 176.71 2ku7 s ASN 29 N -7.05 4.94 -0.33 3.07 0.01 0.83 -5.07 114.94 111.33 2ku7 s ASN 29 Ca -0.07 -2.88 -0.10 0.00 -0.71 0.00 0.00 52.86 49.10 2ku7 s ASN 29 Cb 0.09 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.98 2ku7 s ASN 29 CO 0.86 -0.33 0.17 -0.76 -1.51 0.00 0.00 177.10 175.54 2ku7 s LEU 30 N -0.11 4.33 0.01 0.60 1.43 -1.20 -4.41 118.68 119.33 2ku7 s LEU 30 Ca 0.17 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2ku7 s LEU 30 Cb -0.22 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2ku7 s LEU 30 CO -0.02 -0.26 1.36 -2.84 0.23 0.00 0.00 176.35 174.82 2ku7 s PRO 31 N 1.60 4.31 0.44 1.29 0.02 -1.26 -4.91 135.00 136.48 2ku7 s PRO 31 Ca 0.04 1.93 0.27 0.00 0.02 0.00 0.00 61.00 63.26 2ku7 s PRO 31 Cb -0.18 -3.51 1.33 0.00 0.02 0.00 0.00 34.50 32.15 2ku7 s PRO 31 CO 0.07 -0.52 1.70 1.49 -0.33 0.00 0.00 177.00 179.40 2ku7 h GLU 32 N 7.58 0.19 0.12 5.54 4.81 -1.98 0.19 114.58 131.03 2ku7 h GLU 32 Ca -0.38 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.56 2ku7 h GLU 32 Cb 1.18 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2ku7 h GLU 32 CO 0.89 0.12 -1.38 0.77 -0.73 0.00 0.00 179.01 178.68 2ku7 h SER 33 N 0.19 0.39 0.08 1.04 0.02 -1.92 -3.34 113.55 110.02 2ku7 h SER 33 Ca 0.71 -0.86 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 2ku7 h SER 33 Cb 2.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.58 2ku7 h SER 33 CO -0.32 1.61 -0.27 0.58 -1.14 0.00 0.00 176.83 177.29 2ku7 h VAL 34 N -0.30 1.26 -0.02 2.27 2.07 -1.49 -2.65 116.25 117.39 2ku7 h VAL 34 Ca -0.29 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 65.94 2ku7 h VAL 34 Cb 1.76 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2ku7 h VAL 34 CO 0.07 0.37 -0.34 0.00 0.02 0.00 0.00 177.57 177.69 2ku7 h ALA 35 N 1.44 1.41 -2.02 1.67 0.00 -0.88 -3.45 119.26 117.43 2ku7 h ALA 35 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2ku7 h ALA 35 Cb 0.63 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.16 2ku7 h ALA 35 CO 0.05 0.44 0.14 1.52 0.00 0.00 0.00 179.25 181.40 2ku7 s TYR 36 N -4.27 -0.73 -0.31 0.00 1.13 -1.00 -5.06 117.35 107.11 2ku7 s TYR 36 Ca -0.03 1.61 0.07 0.00 -1.41 0.00 0.00 57.07 57.31 2ku7 s TYR 36 Cb 0.15 0.32 0.47 0.00 -1.10 0.00 0.00 41.96 41.79 2ku7 s TYR 36 CO 0.73 -0.46 1.39 0.25 -2.51 0.00 0.00 175.55 174.95 2ku7 n THR 37 N 2.04 2.59 -1.76 -3.49 -2.24 -1.26 -4.51 114.28 105.66 2ku7 n THR 37 Ca -0.16 -3.33 -0.29 0.00 -2.27 0.00 0.00 64.05 58.00 2ku7 n THR 37 Cb 0.56 -0.64 0.09 0.00 -2.10 0.00 0.00 70.33 68.24 2ku7 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ku7 s VAL 39 N -3.39 2.06 0.47 0.00 0.11 -1.26 -5.04 120.40 113.35 2ku7 s VAL 39 Ca 0.61 -1.79 0.16 0.00 -2.93 0.00 0.00 61.98 58.03 2ku7 s VAL 39 Cb -0.12 -1.89 0.32 0.00 -1.53 0.00 0.00 36.38 33.16 2ku7 s VAL 39 CO 0.51 -0.07 2.04 0.78 -3.33 0.00 0.00 175.10 175.03 2ku7 h ASN 40 N 3.67 0.21 -3.42 3.54 2.35 -2.03 -3.40 115.58 116.50 2ku7 h ASN 40 Ca -0.47 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.69 2ku7 h ASN 40 Cb 1.19 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 39.42 2ku7 h ASN 40 CO 0.43 0.14 0.08 0.00 -1.65 0.00 0.00 177.43 176.43 2ku7 n THR 42 N 4.62 0.24 0.19 0.00 -2.24 -1.26 -4.33 114.28 111.49 2ku7 n THR 42 Ca -0.02 -0.53 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 2ku7 n THR 42 Cb 0.50 0.95 0.40 0.00 -2.10 0.00 0.00 70.33 70.09 2ku7 n THR 42 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ku7 h GLU 43 N 3.84 0.03 -5.56 -0.78 5.08 -1.97 -3.42 114.58 111.81 2ku7 h GLU 43 Ca 0.00 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.70 2ku7 h GLU 43 Cb 0.83 -0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.93 2ku7 h GLU 43 CO 0.00 0.32 -0.59 1.03 -1.00 0.00 0.00 179.01 178.77 2ku7 s ARG 44 N -4.39 3.53 0.00 2.33 0.52 -1.26 -4.99 118.95 114.69 2ku7 s ARG 44 Ca -0.03 -0.37 0.23 0.00 -0.52 0.00 0.00 55.73 55.03 2ku7 s ARG 44 Cb 0.15 -3.02 0.03 0.00 0.52 0.00 0.00 34.95 32.63 2ku7 s ARG 44 CO 0.72 0.47 1.10 0.72 0.02 0.00 0.00 175.30 178.33 2ku7 n HIS 45 N 2.88 0.00 -4.31 -0.53 8.25 -1.26 -4.91 115.22 115.34 2ku7 n HIS 45 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.94 2ku7 n HIS 45 Cb 0.53 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.51 2ku7 n HIS 45 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ku7 s VAL 46 N -2.69 4.28 0.13 1.59 1.01 -1.26 -5.11 120.40 118.34 2ku7 s VAL 46 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2ku7 s VAL 46 Cb 0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2ku7 s VAL 46 CO 0.68 0.54 0.29 -0.62 0.00 0.00 0.00 175.10 175.99 2ku7 s ASP 47 N -0.21 6.37 0.00 3.32 2.15 -1.26 -5.12 116.67 121.92 2ku7 s ASP 47 Ca 0.05 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.33 2ku7 s ASP 47 Cb -0.12 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2ku7 s ASP 47 CO 0.02 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 2ku7 n GLY 48 N -0.25 0.74 3.77 2.66 0.00 -1.26 -5.10 105.19 105.75 2ku7 n GLY 48 Ca -0.05 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 2ku7 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ku7 n GLY 49 N 5.00 -0.09 3.30 -0.02 0.00 -1.26 -5.13 105.19 106.99 2ku7 n GLY 49 Ca 0.00 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 2ku7 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ku7 s SER 50 N -5.22 2.42 0.76 1.61 1.04 -1.26 -5.16 113.70 107.89 2ku7 s SER 50 Ca 0.68 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 2ku7 s SER 50 Cb -0.03 -0.12 0.13 0.00 0.10 0.00 0.00 66.02 66.09 2ku7 s SER 50 CO 0.46 -0.07 0.82 0.61 0.98 0.00 0.00 173.24 176.04 2ku7 n GLY 51 N 0.44 -0.00 0.00 7.32 0.00 -1.26 -5.12 105.19 106.56 2ku7 n GLY 51 Ca -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.94 2.34 3.48 -0.02 0.00 -1.26 -5.16 105.19 103.63 2ku7 n GLY 52 Ca 0.12 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2ku7 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ku7 s SER 53 N 1.00 3.81 0.00 1.61 1.04 -1.26 -5.13 113.70 114.77 2ku7 s SER 53 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2ku7 s SER 53 Cb 0.00 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2ku7 s SER 53 CO 0.00 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2ku7 n GLY 54 N 0.64 1.20 0.27 7.32 0.00 -1.26 -4.98 105.19 108.37 2ku7 n GLY 54 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2ku7 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ku7 h GLY 55 N 0.00 0.66 -3.62 -0.02 0.00 -2.09 -3.44 103.07 94.55 2ku7 h GLY 55 Ca 0.00 -0.44 -0.67 0.00 0.00 0.00 0.00 47.33 46.21 2ku7 h GLY 55 CO 0.00 0.41 -0.83 -1.35 0.00 0.00 0.00 176.54 174.77 2ku7 s SER 56 N -6.73 3.49 0.01 0.19 1.04 -1.26 -5.13 113.70 105.31 2ku7 s SER 56 Ca -0.08 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.47 2ku7 s SER 56 Cb 0.15 -0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.00 2ku7 s SER 56 CO 0.79 0.15 0.54 0.61 0.98 0.00 0.00 173.24 176.31 2ku7 n GLY 57 N 0.59 0.55 2.82 7.32 0.00 -1.26 -4.93 105.19 110.27 2ku7 n GLY 57 Ca -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.39 0.65 3.28 -0.02 0.00 -1.26 -5.17 105.19 102.29 2ku7 n GLY 58 Ca 0.01 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 2ku7 n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ku7 s SER 59 N -2.85 2.34 -0.01 1.61 1.04 -1.26 -5.15 113.70 109.42 2ku7 s SER 59 Ca 0.18 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 2ku7 s SER 59 Cb -0.02 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2ku7 s SER 59 CO 0.03 -0.06 0.10 0.00 0.98 0.00 0.00 173.24 174.29 2ku7 s ALA 60 N -1.84 3.64 -0.18 5.32 0.00 -1.26 -5.04 121.76 122.40 2ku7 s ALA 60 Ca 0.10 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 2ku7 s ALA 60 Cb -0.07 -1.64 -0.22 0.00 0.00 0.00 0.00 23.12 21.20 2ku7 s ALA 60 CO 0.05 0.69 0.39 1.15 0.00 0.00 0.00 175.76 178.04 2ku7 h THR 61 N 3.24 1.15 -3.19 0.00 2.02 -2.08 -3.48 112.91 110.57 2ku7 h THR 61 Ca -0.49 -2.24 -0.49 0.00 0.77 0.00 0.00 66.41 63.95 2ku7 h THR 61 Cb 1.19 2.58 -0.17 0.00 -1.74 0.00 0.00 68.15 70.00 2ku7 h THR 61 CO 0.63 0.43 -0.77 0.42 0.37 0.00 0.00 175.52 176.60 2ku7 s THR 62 N -2.34 1.77 -0.31 3.16 -4.23 -1.26 -5.13 115.64 107.30 2ku7 s THR 62 Ca -0.25 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.21 2ku7 s THR 62 Cb 0.03 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 72.03 2ku7 s THR 62 CO 0.63 -0.40 0.07 -0.54 -0.54 0.00 0.00 174.62 173.85 2ku7 s LYS 63 N -3.02 2.80 0.00 3.99 1.02 -1.26 -4.88 119.74 118.39 2ku7 s LYS 63 Ca 0.17 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2ku7 s LYS 63 Cb -0.04 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2ku7 s LYS 63 CO 0.07 -0.55 0.00 0.54 -0.92 0.00 0.00 175.35 174.48 2ku7 n ARG 64 N 4.80 1.14 -4.15 1.68 1.74 -1.26 -4.15 116.66 116.47 2ku7 n ARG 64 Ca -0.14 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.60 2ku7 n ARG 64 Cb 0.46 -0.47 -0.11 0.00 -1.02 0.00 0.00 32.46 31.32 2ku7 n ARG 64 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ku7 s VAL 65 N -0.80 4.33 0.23 1.55 1.01 -1.26 -2.50 120.40 122.95 2ku7 s VAL 65 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2ku7 s VAL 65 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2ku7 s VAL 65 CO 0.00 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.63 2ku7 s LEU 66 N 0.52 2.56 -0.24 3.92 1.43 -0.77 -1.71 118.68 124.40 2ku7 s LEU 66 Ca 0.00 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.05 2ku7 s LEU 66 Cb -0.13 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.26 2ku7 s LEU 66 CO 0.02 -0.09 -0.03 -0.47 0.23 0.00 0.00 176.35 176.01 2ku7 s TYR 67 N -2.76 3.02 -0.29 0.29 5.04 0.42 -1.46 117.35 121.61 2ku7 s TYR 67 Ca 0.25 -1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 53.63 2ku7 s TYR 67 Cb -0.03 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.18 2ku7 s TYR 67 CO 0.10 -0.62 0.07 0.14 -1.34 0.00 0.00 175.55 173.89 2ku7 s VAL 68 N 1.42 3.90 0.07 3.14 -7.23 0.11 -2.26 120.40 119.56 2ku7 s VAL 68 Ca 0.03 -0.68 0.06 0.00 -1.81 0.00 0.00 61.98 59.59 2ku7 s VAL 68 Cb -0.16 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 2ku7 s VAL 68 CO -0.03 0.11 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.87 2ku7 s GLY 69 N 1.50 1.02 0.00 2.32 0.00 0.11 -0.32 107.32 111.95 2ku7 s GLY 69 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2ku7 s GLY 69 CO 0.02 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.66 2ku7 n GLY 70 N 1.36 0.93 3.93 0.20 0.00 -0.19 0.02 105.19 111.44 2ku7 n GLY 70 Ca -0.20 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.07 3.85 0.85 0.99 1.02 -1.01 -3.99 118.68 120.33 2ku7 s LEU 71 Ca 0.00 0.66 -0.12 0.00 0.02 0.00 0.00 54.13 54.69 2ku7 s LEU 71 Cb 0.00 -3.56 0.14 0.00 0.02 0.00 0.00 46.19 42.79 2ku7 s LEU 71 CO 0.00 -0.41 1.20 0.00 0.02 0.00 0.00 176.35 177.16 2ku7 s ALA 72 N -2.49 2.65 0.29 4.21 0.00 -1.26 -4.83 121.76 120.34 2ku7 s ALA 72 Ca 0.43 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2ku7 s ALA 72 Cb -0.10 -2.71 0.45 0.00 0.00 0.00 0.00 23.12 20.75 2ku7 s ALA 72 CO 0.40 -1.95 1.70 1.49 0.00 0.00 0.00 175.76 177.39 2ku7 h GLU 73 N -1.20 0.25 -2.52 0.00 4.57 -1.99 -3.32 114.58 110.37 2ku7 h GLU 73 Ca -0.44 -0.12 -0.80 0.00 -1.18 0.00 0.00 59.36 56.82 2ku7 h GLU 73 Cb 1.28 -0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.61 2ku7 h GLU 73 CO 0.49 0.62 1.11 0.39 -1.18 0.00 0.00 179.01 180.45 2ku7 n GLU 74 N -4.02 5.05 -3.91 1.92 1.02 -1.26 -4.94 120.64 114.49 2ku7 n GLU 74 Ca -0.02 -4.50 -0.14 0.00 -0.02 0.00 0.00 57.16 52.49 2ku7 n GLU 74 Cb 0.48 -2.51 -0.15 0.00 -0.02 0.00 0.00 31.44 29.25 2ku7 n GLU 74 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ku7 s VAL 75 N -3.47 0.08 0.20 2.62 0.11 -1.25 -5.08 120.40 113.62 2ku7 s VAL 75 Ca 0.38 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 2ku7 s VAL 75 Cb 0.15 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.87 2ku7 s VAL 75 CO -0.05 0.05 0.19 0.47 -3.33 0.00 0.00 175.10 172.42 2ku7 n ASP 76 N 3.32 -0.48 -0.12 3.54 8.00 -1.26 -5.03 116.55 124.53 2ku7 n ASP 76 Ca -0.16 -2.31 -0.04 0.00 0.71 0.00 0.00 54.79 52.99 2ku7 n ASP 76 Cb 0.57 1.07 0.17 0.00 -0.02 0.00 0.00 41.12 42.92 2ku7 n ASP 76 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ku7 h ASP 77 N 1.24 0.77 -0.40 -2.24 3.32 -1.95 -1.65 116.42 115.51 2ku7 h ASP 77 Ca -0.14 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 2ku7 h ASP 77 Cb 0.73 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2ku7 h ASP 77 CO 0.21 0.81 -0.00 0.11 -1.72 0.00 0.00 179.24 178.65 2ku7 h LYS 78 N 0.76 0.70 -0.16 3.56 1.79 -1.99 -1.95 116.57 119.29 2ku7 h LYS 78 Ca 0.15 -0.23 -0.22 0.00 -2.18 0.00 0.00 60.65 58.18 2ku7 h LYS 78 Cb 0.40 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2ku7 h LYS 78 CO 0.01 0.80 -0.77 -0.39 -1.08 0.00 0.00 179.45 178.02 2ku7 h VAL 79 N 0.53 1.28 -0.41 0.50 -1.51 -1.96 -2.89 116.25 111.79 2ku7 h VAL 79 Ca 0.11 -1.97 -0.06 0.00 -1.23 0.00 0.00 66.70 63.55 2ku7 h VAL 79 Cb 0.48 1.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 2ku7 h VAL 79 CO 0.02 0.62 -0.00 0.25 -1.23 0.00 0.00 177.57 177.23 2ku7 h LEU 80 N 0.53 0.63 -0.18 4.19 6.46 -1.30 -1.84 115.31 123.78 2ku7 h LEU 80 Ca -0.05 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 2ku7 h LEU 80 Cb 1.39 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2ku7 h LEU 80 CO 0.16 0.70 -0.09 -0.74 -0.62 0.00 0.00 178.44 177.85 2ku7 h HIS 81 N 0.62 0.44 0.00 1.25 2.76 -1.38 -2.65 115.15 116.20 2ku7 h HIS 81 Ca 0.13 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2ku7 h HIS 81 Cb 0.40 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 2ku7 h HIS 81 CO 0.02 0.68 -0.04 0.00 -1.30 0.00 0.00 177.93 177.29 2ku7 h ALA 82 N 0.69 1.01 0.10 5.26 0.00 -1.37 -0.22 119.26 124.73 2ku7 h ALA 82 Ca 0.04 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 2ku7 h ALA 82 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ku7 h ALA 82 CO 0.03 0.05 -1.54 0.00 0.00 0.00 0.00 179.25 177.78 2ku7 h ALA 83 N 1.96 0.33 -0.02 0.00 0.00 -1.30 -3.33 119.26 116.90 2ku7 h ALA 83 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2ku7 h ALA 83 Cb 0.53 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ku7 h ALA 83 CO 0.00 1.20 -0.08 1.19 0.00 0.00 0.00 179.25 181.56 2ku7 n PHE 84 N -3.41 0.00 0.11 0.00 3.72 -1.00 -4.40 117.46 112.48 2ku7 n PHE 84 Ca -0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.22 2ku7 n PHE 84 Cb 1.04 -0.01 0.20 0.00 -0.94 0.00 0.00 39.48 39.77 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 3.72 1.36 -0.01 4.37 6.09 -1.15 -3.23 117.51 128.67 2ku7 h ILE 85 Ca 0.00 -1.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.74 2ku7 h ILE 85 Cb 0.84 1.88 -0.00 0.00 0.47 0.00 0.00 36.82 40.00 2ku7 h ILE 85 CO 0.00 0.51 0.02 -0.65 -3.07 0.00 0.00 178.15 174.96 2ku7 h PRO 86 N 0.12 0.00 0.02 2.19 0.11 -1.79 -2.15 132.00 130.50 2ku7 h PRO 86 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 2ku7 h PRO 86 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2ku7 h PRO 86 CO 0.07 0.00 -0.95 0.74 -0.21 0.00 0.00 178.00 177.65 2ku7 h PHE 87 N 0.00 0.13 0.00 0.65 0.04 -1.88 -3.50 116.94 112.38 2ku7 h PHE 87 Ca 0.01 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 2ku7 h PHE 87 Cb 0.04 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2ku7 h PHE 87 CO 0.00 0.98 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 2ku7 n GLY 88 N 1.11 -0.53 3.77 -1.45 0.00 -0.81 -4.87 105.19 102.42 2ku7 n GLY 88 Ca -0.02 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 7.22 0.04 1.61 1.01 -1.26 -4.50 116.67 116.79 2ku7 s ASP 89 Ca 0.00 1.45 0.08 0.00 0.71 0.00 0.00 52.55 54.80 2ku7 s ASP 89 Cb 0.00 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2ku7 s ASP 89 CO 0.00 0.16 -0.23 -0.63 0.21 0.00 0.00 175.17 174.68 2ku7 s ILE 90 N -0.73 2.41 -0.04 0.77 1.01 -1.26 -2.97 121.20 120.39 2ku7 s ILE 90 Ca 0.34 -1.28 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2ku7 s ILE 90 Cb -0.21 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 2ku7 s ILE 90 CO 0.23 0.37 -0.05 0.35 0.00 0.00 0.00 174.94 175.84 2ku7 n THR 91 N 1.74 0.38 -3.80 2.92 -2.24 -0.61 -4.83 114.28 107.84 2ku7 n THR 91 Ca -0.17 0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.94 2ku7 n THR 91 Cb 0.52 -1.74 -0.07 0.00 -2.10 0.00 0.00 70.33 66.94 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 -4.14 -0.00 -0.12 3.42 1.01 -1.25 -5.06 116.67 110.53 2ku7 s ASP 92 Ca -0.04 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.78 2ku7 s ASP 92 Cb 0.01 0.36 -0.01 0.00 1.01 0.00 0.00 42.92 44.29 2ku7 s ASP 92 CO 0.06 -0.70 -0.18 -0.63 0.21 0.00 0.00 175.17 173.94 2ku7 s ILE 93 N -3.36 2.57 -0.09 0.77 -1.09 -1.26 -2.77 121.20 115.97 2ku7 s ILE 93 Ca 0.01 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 2ku7 s ILE 93 Cb 0.02 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.87 2ku7 s ILE 93 CO -0.08 0.54 -0.14 -1.10 -1.23 0.00 0.00 174.94 172.93 2ku7 s GLN 94 N 0.40 2.01 -0.14 2.79 -0.21 -1.05 -4.97 119.66 118.49 2ku7 s GLN 94 Ca -0.14 -0.50 -0.00 0.00 0.02 0.00 0.00 55.36 54.74 2ku7 s GLN 94 Cb -0.17 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.17 2ku7 s GLN 94 CO 0.06 -0.03 -0.09 0.42 -2.12 0.00 0.00 175.29 173.54 2ku7 s ILE 95 N 0.88 1.22 0.12 1.08 1.09 -1.26 -1.76 121.20 122.58 2ku7 s ILE 95 Ca -0.10 -0.53 -0.32 0.00 -1.10 0.00 0.00 60.65 58.61 2ku7 s ILE 95 Cb -0.15 -1.27 -0.12 0.00 -1.06 0.00 0.00 42.46 39.86 2ku7 s ILE 95 CO 0.01 0.30 1.79 -2.65 -0.10 0.00 0.00 174.94 174.28 2ku7 n PRO 96 N 4.86 2.63 -4.68 2.79 -0.02 -1.26 -5.00 135.00 134.31 2ku7 n PRO 96 Ca -0.13 0.95 -0.24 0.00 -2.02 0.00 0.00 63.50 62.06 2ku7 n PRO 96 Cb 0.49 -2.82 -0.16 0.00 -0.02 0.00 0.00 33.50 30.99 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 2.37 1.84 0.13 2.45 2.96 -1.26 -4.45 118.68 122.72 2ku7 s LEU 97 Ca 0.82 -0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 54.26 2ku7 s LEU 97 Cb -0.54 -0.84 -0.07 0.00 0.50 0.00 0.00 46.19 45.24 2ku7 s LEU 97 CO 0.38 0.11 0.57 -1.81 -1.32 0.00 0.00 176.35 174.29 2ku7 s ASP 98 N 0.17 6.92 0.32 3.68 1.01 -1.26 -4.94 116.67 122.57 2ku7 s ASP 98 Ca -0.05 1.16 0.04 0.00 0.71 0.00 0.00 52.55 54.41 2ku7 s ASP 98 Cb -0.11 -2.32 0.55 0.00 1.01 0.00 0.00 42.92 42.05 2ku7 s ASP 98 CO 0.02 0.15 1.84 1.88 0.21 0.00 0.00 175.17 179.27 2ku7 h TYR 99 N 3.84 0.56 -0.03 4.23 0.05 -1.98 0.62 116.97 124.26 2ku7 h TYR 99 Ca -0.49 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.20 2ku7 h TYR 99 Cb 1.20 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.78 2ku7 h TYR 99 CO 0.66 0.58 -0.08 1.49 -1.05 0.00 0.00 178.16 179.75 2ku7 h GLU 100 N 0.51 0.11 0.00 4.88 4.81 -2.01 -3.37 114.58 119.51 2ku7 h GLU 100 Ca 0.10 -0.08 -0.27 0.00 -0.13 0.00 0.00 59.36 58.98 2ku7 h GLU 100 Cb 0.39 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 2ku7 h GLU 100 CO 0.02 0.69 -1.93 0.25 -0.73 0.00 0.00 179.01 177.30 2ku7 n THR 101 N -4.69 1.31 -1.92 0.32 -2.24 -1.23 -4.98 114.28 100.86 2ku7 n THR 101 Ca -0.08 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.76 2ku7 n THR 101 Cb 0.35 -0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.84 -1.65 -4.44 -0.78 1.02 0.21 -4.96 120.64 107.20 2ku7 n GLU 102 Ca -0.21 0.87 -0.25 0.00 -0.02 0.00 0.00 57.16 57.55 2ku7 n GLU 102 Cb 1.01 -5.33 -0.11 0.00 -0.02 0.00 0.00 31.44 26.99 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 -4.15 1.57 0.35 3.49 1.02 -1.26 -4.89 119.74 115.87 2ku7 s LYS 103 Ca 0.00 -1.63 -0.02 0.00 0.02 0.00 0.00 55.97 54.35 2ku7 s LYS 103 Cb 0.00 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2ku7 s LYS 103 CO 0.00 0.36 0.58 -3.38 -0.92 0.00 0.00 175.35 172.00 2ku7 s HIS 104 N -2.07 3.51 -2.40 3.18 -3.43 -1.26 -4.08 115.29 108.73 2ku7 s HIS 104 Ca 0.25 0.49 0.28 0.00 -0.80 0.00 0.00 55.06 55.28 2ku7 s HIS 104 Cb -0.06 -2.01 1.13 0.00 -1.43 0.00 0.00 32.58 30.20 2ku7 s HIS 104 CO 0.12 0.07 1.79 0.54 -2.00 0.00 0.00 174.74 175.26 2ku7 n ARG 105 N -1.63 1.58 -0.21 -0.38 1.74 -1.26 -4.91 116.66 111.58 2ku7 n ARG 105 Ca -0.03 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.21 2ku7 n ARG 105 Cb 0.55 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.14 0.87 3.11 -0.13 0.00 -1.26 -4.97 105.19 103.95 2ku7 n GLY 106 Ca 0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.08 0.18 1.61 -0.12 -1.26 -1.02 117.98 115.44 2ku7 s PHE 107 Ca 0.00 -0.22 -0.13 0.00 -0.05 0.00 0.00 56.93 56.53 2ku7 s PHE 107 Cb 0.00 -0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 2ku7 s PHE 107 CO 0.00 -0.31 0.40 0.00 -0.05 0.00 0.00 175.22 175.26 2ku7 s ALA 108 N -1.69 -0.46 -0.05 1.99 0.00 0.57 -4.51 121.76 117.61 2ku7 s ALA 108 Ca -0.12 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2ku7 s ALA 108 Cb -0.06 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2ku7 s ALA 108 CO 0.00 -0.72 -0.16 -0.06 0.00 0.00 0.00 175.76 174.82 2ku7 s PHE 109 N -3.92 2.65 -0.08 0.00 0.40 -0.72 0.06 117.98 116.37 2ku7 s PHE 109 Ca 0.13 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2ku7 s PHE 109 Cb 0.01 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2ku7 s PHE 109 CO -0.02 0.09 -0.22 0.54 0.70 0.00 0.00 175.22 176.31 2ku7 s VAL 110 N -0.56 2.34 -0.09 -0.44 0.11 -0.54 -2.53 120.40 118.68 2ku7 s VAL 110 Ca 0.08 -0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 58.17 2ku7 s VAL 110 Cb -0.11 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 2ku7 s VAL 110 CO 0.01 0.56 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.69 2ku7 s GLU 111 N -0.03 3.04 0.08 1.54 0.41 -1.12 -1.84 118.70 120.78 2ku7 s GLU 111 Ca -0.06 -0.50 0.09 0.00 -0.41 0.00 0.00 54.97 54.09 2ku7 s GLU 111 Cb -0.15 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.44 2ku7 s GLU 111 CO 0.05 0.58 -0.21 -0.06 -0.49 0.00 0.00 175.26 175.12 2ku7 s PHE 112 N -0.56 2.46 0.20 1.61 0.40 -1.04 -1.57 117.98 119.48 2ku7 s PHE 112 Ca 0.09 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 2ku7 s PHE 112 Cb -0.12 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.15 2ku7 s PHE 112 CO 0.02 0.28 1.67 1.49 0.70 0.00 0.00 175.22 179.38 2ku7 h GLU 113 N 4.23 1.05 -6.08 0.44 4.81 -1.85 -3.43 114.58 113.74 2ku7 h GLU 113 Ca -0.49 -0.32 -0.68 0.00 -0.13 0.00 0.00 59.36 57.75 2ku7 h GLU 113 Cb 1.16 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.28 2ku7 h GLU 113 CO 0.45 1.01 -0.65 -0.51 -0.73 0.00 0.00 179.01 178.58 2ku7 s LEU 114 N -9.33 3.46 0.52 1.64 1.02 -1.26 -5.00 118.68 109.72 2ku7 s LEU 114 Ca -0.11 0.05 0.30 0.00 0.02 0.00 0.00 54.13 54.39 2ku7 s LEU 114 Cb 0.14 -1.86 1.29 0.00 0.02 0.00 0.00 46.19 45.78 2ku7 s LEU 114 CO 0.85 0.34 1.97 0.00 0.02 0.00 0.00 176.35 179.53 2ku7 h ALA 115 N 4.88 1.05 -0.55 4.21 0.00 -1.84 -3.12 119.26 123.89 2ku7 h ALA 115 Ca -0.50 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2ku7 h ALA 115 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2ku7 h ALA 115 CO 0.55 0.12 0.12 0.93 0.00 0.00 0.00 179.25 180.97 2ku7 h GLU 116 N 0.00 0.90 -0.12 0.00 5.08 -1.95 -2.90 114.58 115.59 2ku7 h GLU 116 Ca -0.00 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 2ku7 h GLU 116 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2ku7 h GLU 116 CO 0.01 0.85 -0.47 0.22 -1.00 0.00 0.00 179.01 178.62 2ku7 h ASP 117 N 0.79 0.31 -0.38 1.42 1.82 -1.88 -1.80 116.42 116.70 2ku7 h ASP 117 Ca 0.17 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2ku7 h ASP 117 Cb 0.36 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2ku7 h ASP 117 CO 0.00 0.74 0.21 0.00 -1.61 0.00 0.00 179.24 178.58 2ku7 h ALA 118 N 1.28 0.49 0.00 -0.78 0.00 -1.57 0.75 119.26 119.43 2ku7 h ALA 118 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2ku7 h ALA 118 Cb 0.92 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ku7 h ALA 118 CO 0.08 0.02 -0.51 0.00 0.00 0.00 0.00 179.25 178.84 2ku7 h ALA 119 N 1.06 1.05 -0.10 0.00 0.00 -1.49 -2.86 119.26 116.91 2ku7 h ALA 119 Ca 0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2ku7 h ALA 119 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ku7 h ALA 119 CO -0.02 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 2ku7 h ALA 120 N 1.49 0.17 -0.68 0.00 0.00 -0.71 -2.83 119.26 116.70 2ku7 h ALA 120 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2ku7 h ALA 120 Cb 0.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2ku7 h ALA 120 CO 0.07 0.23 0.27 0.00 0.00 0.00 0.00 179.25 179.82 2ku7 h ALA 121 N 0.48 1.19 -0.33 0.00 0.00 0.51 -0.77 119.26 120.34 2ku7 h ALA 121 Ca -0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 2ku7 h ALA 121 Cb 0.96 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ku7 h ALA 121 CO 0.07 0.59 -0.48 0.82 0.00 0.00 0.00 179.25 180.25 2ku7 h ILE 122 N 0.99 1.27 0.00 0.00 2.04 -1.58 -2.53 117.51 117.70 2ku7 h ILE 122 Ca 0.23 -1.66 -0.13 0.00 1.00 0.00 0.00 64.86 64.31 2ku7 h ILE 122 Cb 0.19 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2ku7 h ILE 122 CO -0.02 0.55 -0.61 -0.78 0.00 0.00 0.00 178.15 177.29 2ku7 h ASP 123 N 0.72 0.00 0.01 1.72 3.58 -1.35 -3.02 116.42 118.07 2ku7 h ASP 123 Ca 0.03 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 2ku7 h ASP 123 Cb 1.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2ku7 h ASP 123 CO 0.11 0.61 -0.27 0.78 -2.88 0.00 0.00 179.24 177.59 2ku7 h ASN 124 N 0.00 0.02 -2.07 2.28 2.35 -1.15 -3.42 115.58 113.60 2ku7 h ASN 124 Ca -0.01 -0.91 -0.51 0.00 -0.55 0.00 0.00 56.30 54.32 2ku7 h ASN 124 Cb 1.20 -0.01 -0.40 0.00 0.05 0.00 0.00 38.32 39.16 2ku7 h ASN 124 CO 0.08 1.11 -1.06 0.23 -1.65 0.00 0.00 177.43 176.14 2ku7 n MET 125 N -4.55 1.46 -0.12 0.81 2.81 -0.96 -4.92 117.12 111.66 2ku7 n MET 125 Ca -0.14 -3.71 -0.13 0.00 -1.81 0.00 0.00 57.70 51.91 2ku7 n MET 125 Cb 0.53 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 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 3.13 0.85 -2.29 7.83 -0.73 -1.71 -3.40 115.58 119.27 2ku7 h ASN 126 Ca 0.11 -0.44 -0.57 0.00 1.87 0.00 0.00 56.30 57.26 2ku7 h ASN 126 Cb 0.85 -0.24 -0.37 0.00 0.27 0.00 0.00 38.32 38.83 2ku7 h ASN 126 CO 0.57 1.11 -0.98 -0.62 -0.37 0.00 0.00 177.43 177.15 2ku7 n GLU 127 N -4.21 0.23 -4.41 6.67 1.02 -1.23 -0.87 120.64 117.85 2ku7 n GLU 127 Ca -0.03 -3.14 -0.20 0.00 -0.02 0.00 0.00 57.16 53.77 2ku7 n GLU 127 Cb 0.47 -1.63 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2ku7 n GLU 127 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2ku7 s SER 128 N -0.02 2.59 -0.33 1.62 1.04 -1.10 -4.89 113.70 112.61 2ku7 s SER 128 Ca 0.33 -1.18 -0.23 0.00 0.48 0.00 0.00 55.95 55.35 2ku7 s SER 128 Cb 0.05 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2ku7 s SER 128 CO -0.19 -0.36 0.78 -0.70 0.98 0.00 0.00 173.24 173.75 2ku7 s GLU 129 N -3.74 3.88 -0.04 4.02 2.12 -1.26 -0.10 118.70 123.57 2ku7 s GLU 129 Ca 0.29 0.46 0.01 0.00 0.36 0.00 0.00 54.97 56.10 2ku7 s GLU 129 Cb 0.04 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.69 2ku7 s GLU 129 CO 0.11 -0.74 -0.06 -1.17 -0.54 0.00 0.00 175.26 172.86 2ku7 s LEU 130 N 2.99 1.44 -1.18 2.70 2.96 0.11 -4.78 118.68 122.92 2ku7 s LEU 130 Ca 0.31 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2ku7 s LEU 130 Cb -0.14 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.04 2ku7 s LEU 130 CO 0.14 -0.03 0.00 0.49 -1.32 0.00 0.00 176.35 175.63 2ku7 n PHE 131 N 3.91 0.00 -0.17 5.38 3.72 -1.26 -2.13 117.46 126.91 2ku7 n PHE 131 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2ku7 n PHE 131 Cb 0.51 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 2ku7 n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ku7 n GLY 132 N -0.72 0.58 3.27 1.37 0.00 -1.26 -4.59 105.19 103.85 2ku7 n GLY 132 Ca -0.11 0.00 -0.18 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 -0.83 1.11 -0.01 1.61 0.52 -0.91 -5.05 118.95 115.39 2ku7 s ARG 133 Ca 0.00 -1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 53.55 2ku7 s ARG 133 Cb 0.00 -0.92 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 2ku7 s ARG 133 CO 0.00 0.16 1.07 0.99 0.02 0.00 0.00 175.30 177.54 2ku7 s THR 134 N -2.53 4.57 0.09 0.02 2.01 -1.26 0.07 115.64 118.61 2ku7 s THR 134 Ca 0.14 1.85 0.06 0.00 0.31 0.00 0.00 61.69 64.05 2ku7 s THR 134 Cb -0.03 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2ku7 s THR 134 CO 0.03 0.10 -0.09 0.27 -0.69 0.00 0.00 174.62 174.24 2ku7 s ILE 135 N 1.33 3.41 -0.10 1.82 -4.36 0.86 -4.28 121.20 119.88 2ku7 s ILE 135 Ca 0.54 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2ku7 s ILE 135 Cb -0.23 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2ku7 s ILE 135 CO 0.26 0.16 -0.21 -0.60 0.24 0.00 0.00 174.94 174.79 2ku7 s ARG 136 N -2.06 2.77 -0.05 0.37 3.52 0.10 -2.70 118.95 120.90 2ku7 s ARG 136 Ca 0.21 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2ku7 s ARG 136 Cb -0.11 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 2ku7 s ARG 136 CO 0.13 0.11 -0.14 0.14 -0.81 0.00 0.00 175.30 174.72 2ku7 s VAL 137 N 0.51 1.24 0.28 7.11 -7.23 -0.05 -0.71 120.40 121.55 2ku7 s VAL 137 Ca -0.16 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.25 2ku7 s VAL 137 Cb -0.17 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.69 2ku7 s VAL 137 CO 0.06 0.37 0.64 0.20 -0.31 0.00 0.00 175.10 176.06 2ku7 s ASN 138 N 0.31 -0.16 0.10 4.85 0.01 -0.96 -4.72 114.94 114.38 2ku7 s ASN 138 Ca -0.08 -0.77 -0.31 0.00 -0.71 0.00 0.00 52.86 50.99 2ku7 s ASN 138 Cb -0.13 0.69 -0.07 0.00 0.41 0.00 0.00 41.25 42.15 2ku7 s ASN 138 CO 0.03 -1.31 1.27 -0.22 -1.51 0.00 0.00 177.10 175.36 2ku7 s LEU 139 N -2.97 4.38 0.00 0.60 0.20 -1.26 0.16 118.68 119.79 2ku7 s LEU 139 Ca 0.15 2.18 0.26 0.00 0.69 0.00 0.00 54.13 57.41 2ku7 s LEU 139 Cb -0.04 -3.59 0.58 0.00 -0.43 0.00 0.00 46.19 42.71 2ku7 s LEU 139 CO 0.08 -0.53 1.48 0.00 -0.29 0.00 0.00 176.35 177.09