#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc5 h THR 2 N 0.00 0.75 -0.23 1.12 1.35 -2.05 -3.25 112.91 110.61 2kc5 h THR 2 Ca 0.00 -1.19 -0.15 0.00 -0.55 0.00 0.00 66.41 64.52 2kc5 h THR 2 Cb 0.00 1.75 -0.07 0.00 -1.73 0.00 0.00 68.15 68.10 2kc5 h THR 2 CO 0.00 0.28 0.20 -0.62 -0.25 0.00 0.00 175.52 175.12 2kc5 n GLU 3 N -3.56 1.38 -4.14 4.72 1.02 -1.26 -4.83 120.64 113.98 2kc5 n GLU 3 Ca -0.01 -0.74 -0.09 0.00 -0.02 0.00 0.00 57.16 56.30 2kc5 n GLU 3 Cb 0.43 -1.29 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 2kc5 n GLU 3 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kc5 s GLU 4 N -0.86 0.80 -0.04 3.49 2.02 -1.23 -0.95 118.70 121.92 2kc5 s GLU 4 Ca 0.15 -1.34 0.06 0.00 0.02 0.00 0.00 54.97 53.85 2kc5 s GLU 4 Cb 0.12 0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.44 2kc5 s GLU 4 CO -0.00 -0.15 -0.22 0.42 0.02 0.00 0.00 175.26 175.33 2kc5 s ILE 5 N -3.90 2.41 0.59 -1.63 1.01 0.37 -4.49 121.20 115.57 2kc5 s ILE 5 Ca 0.15 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 2kc5 s ILE 5 Cb 0.07 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2kc5 s ILE 5 CO -0.04 0.58 1.06 0.00 0.00 0.00 0.00 174.94 176.54 2kc5 s ALA 6 N -0.51 2.73 0.50 9.38 0.00 -1.26 -3.37 121.76 129.22 2kc5 s ALA 6 Ca 0.07 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 2kc5 s ALA 6 Cb -0.11 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 2kc5 s ALA 6 CO 0.01 -0.82 0.89 0.20 0.00 0.00 0.00 175.76 176.04 2kc5 s GLY 7 N -2.76 1.85 0.12 0.00 0.00 -0.98 -4.75 107.32 100.79 2kc5 s GLY 7 Ca 0.64 -0.11 0.08 0.00 0.00 0.00 0.00 44.72 45.33 2kc5 s GLY 7 CO 0.37 0.11 -0.20 -1.36 0.00 0.00 0.00 173.10 172.02 2kc5 s PHE 8 N -2.68 1.80 -0.29 1.90 0.40 -0.78 -4.55 117.98 113.77 2kc5 s PHE 8 Ca 0.54 -0.43 0.21 0.00 -0.60 0.00 0.00 56.93 56.65 2kc5 s PHE 8 Cb -0.10 -0.96 0.12 0.00 0.51 0.00 0.00 43.02 42.59 2kc5 s PHE 8 CO 0.38 0.24 1.28 1.96 0.70 0.00 0.00 175.22 179.78 2kc5 h GLN 9 N 3.84 0.00 0.00 0.44 7.50 -1.86 -2.39 115.11 122.64 2kc5 h GLN 9 Ca -0.45 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.65 2kc5 h GLN 9 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2kc5 h GLN 9 CO 0.43 0.09 0.21 0.25 -1.50 0.00 0.00 178.83 178.31 2kc5 n THR 10 N -2.92 0.00 -1.77 -0.54 -2.24 -1.26 -4.89 114.28 100.67 2kc5 n THR 10 Ca 0.01 -0.93 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 2kc5 n THR 10 Cb 0.59 0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2kc5 n THR 10 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kc5 n SER 11 N -1.49 3.73 -2.61 3.42 7.64 -1.26 -4.87 113.62 118.19 2kc5 n SER 11 Ca -0.07 1.23 -0.19 0.00 1.01 0.00 0.00 58.87 60.84 2kc5 n SER 11 Cb 0.52 -1.61 -0.09 0.00 -1.01 0.00 0.00 64.21 62.03 2kc5 n SER 11 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kc5 n PRO 12 N 0.48 2.23 -0.05 1.43 -0.04 -1.26 -4.71 135.00 133.07 2kc5 n PRO 12 Ca 0.02 -1.28 0.03 0.00 -0.04 0.00 0.00 63.50 62.22 2kc5 n PRO 12 Cb 0.39 -2.23 0.37 0.00 -0.04 0.00 0.00 33.50 31.98 2kc5 n PRO 12 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2kc5 h LYS 13 N 4.47 0.64 -0.45 0.54 2.10 -1.92 0.10 116.57 122.04 2kc5 h LYS 13 Ca 0.40 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.92 2kc5 h LYS 13 Cb 0.78 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2kc5 h LYS 13 CO 0.89 0.45 -0.03 0.00 -2.00 0.00 0.00 179.45 178.75 2kc5 h ALA 14 N 1.67 0.61 -0.28 0.07 0.00 -1.91 0.58 119.26 120.00 2kc5 h ALA 14 Ca 0.17 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2kc5 h ALA 14 Cb -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2kc5 h ALA 14 CO -0.03 0.44 -0.45 1.96 0.00 0.00 0.00 179.25 181.16 2kc5 h GLN 15 N 0.66 0.81 -0.75 0.00 4.20 -1.69 -0.99 115.11 117.35 2kc5 h GLN 15 Ca 0.12 -0.49 0.01 0.00 0.06 0.00 0.00 58.65 58.35 2kc5 h GLN 15 Cb 0.54 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 2kc5 h GLN 15 CO 0.03 1.12 0.50 0.28 -0.67 0.00 0.00 178.83 180.09 2kc5 h VAL 16 N 0.57 1.19 0.35 -0.54 2.07 -0.96 -1.40 116.25 117.53 2kc5 h VAL 16 Ca 0.02 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2kc5 h VAL 16 Cb 1.05 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2kc5 h VAL 16 CO 0.10 0.19 -0.17 -0.61 0.02 0.00 0.00 177.57 177.10 2kc5 h GLN 17 N 1.02 -0.45 -0.76 1.57 4.15 -0.53 -0.63 115.11 119.47 2kc5 h GLN 17 Ca 0.28 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 2kc5 h GLN 17 Cb -0.12 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 2kc5 h GLN 17 CO -0.06 -0.28 0.35 0.00 -1.93 0.00 0.00 178.83 176.92 2kc5 h ALA 18 N 0.14 0.99 -0.25 3.38 0.00 -1.05 0.12 119.26 122.59 2kc5 h ALA 18 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kc5 h ALA 18 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kc5 h ALA 18 CO 0.08 0.57 0.08 0.00 0.00 0.00 0.00 179.25 179.98 2kc5 h ALA 19 N 1.18 0.32 0.00 0.00 0.00 -1.14 -2.57 119.26 117.05 2kc5 h ALA 19 Ca 0.26 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2kc5 h ALA 19 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kc5 h ALA 19 CO -0.03 -0.06 -0.45 0.74 0.00 0.00 0.00 179.25 179.45 2kc5 h PHE 20 N 0.24 0.00 -0.65 0.00 0.04 -0.76 -2.55 116.94 113.26 2kc5 h PHE 20 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2kc5 h PHE 20 Cb 0.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 2kc5 h PHE 20 CO -0.00 0.45 0.32 1.49 -0.60 0.00 0.00 178.31 179.97 2kc5 h GLU 21 N 0.00 0.91 -0.55 1.51 4.81 -0.57 0.19 114.58 120.89 2kc5 h GLU 21 Ca -0.00 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 2kc5 h GLU 21 Cb 0.90 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2kc5 h GLU 21 CO 0.06 0.70 0.04 1.49 -0.73 0.00 0.00 179.01 180.57 2kc5 h GLU 22 N 0.91 0.94 -0.58 1.92 4.57 -1.05 -0.61 114.58 120.68 2kc5 h GLU 22 Ca 0.23 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2kc5 h GLU 22 Cb 0.08 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2kc5 h GLU 22 CO -0.03 0.93 0.13 0.82 -1.18 0.00 0.00 179.01 179.68 2kc5 h ILE 23 N 0.83 1.25 0.00 2.32 1.08 -1.17 -0.43 117.51 121.38 2kc5 h ILE 23 Ca 0.16 -0.92 -0.05 0.00 -0.39 0.00 0.00 64.86 63.66 2kc5 h ILE 23 Cb 0.48 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2kc5 h ILE 23 CO 0.02 0.34 -0.25 0.00 -0.69 0.00 0.00 178.15 177.57 2kc5 h ALA 24 N 1.02 1.24 -0.05 1.87 0.00 -0.78 -2.21 119.26 120.35 2kc5 h ALA 24 Ca 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kc5 h ALA 24 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kc5 h ALA 24 CO 0.00 0.31 -0.13 -0.09 0.00 0.00 0.00 179.25 179.34 2kc5 h ARG 25 N 0.00 0.18 0.00 0.00 2.43 -0.64 -3.19 114.38 113.17 2kc5 h ARG 25 Ca -0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2kc5 h ARG 25 Cb 0.57 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2kc5 h ARG 25 CO 0.03 0.73 0.24 -0.09 -1.51 0.00 0.00 179.97 179.37 2kc5 h ARG 26 N -0.33 0.00 0.00 0.20 9.65 -0.49 -0.89 114.38 122.52 2kc5 h ARG 26 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2kc5 h ARG 26 Cb 0.73 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2kc5 h ARG 26 CO 0.03 0.00 -0.04 0.77 2.80 0.00 0.00 179.97 183.53 2kc5 h SER 27 N 0.00 0.00 -1.59 -3.80 0.02 -1.44 -3.43 113.55 103.32 2kc5 h SER 27 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2kc5 h SER 27 Cb 0.48 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 2kc5 h SER 27 CO 0.00 0.04 -0.45 0.00 -1.14 0.00 0.00 176.83 175.28 2kc5 s MET 28 N -4.21 2.36 0.72 3.45 0.00 -0.34 -5.12 119.30 116.16 2kc5 s MET 28 Ca -0.03 -1.70 -0.15 0.00 0.00 0.00 0.00 55.69 53.80 2kc5 s MET 28 Cb 0.13 -2.15 0.03 0.00 0.00 0.00 0.00 34.83 32.84 2kc5 s MET 28 CO 0.51 -0.13 1.21 -1.01 0.00 0.00 0.00 175.02 175.61 2kc5 s HIS 29 N -2.54 2.07 0.45 3.16 0.09 -1.26 -4.91 115.29 112.36 2kc5 s HIS 29 Ca 0.44 1.59 0.15 0.00 -0.00 0.00 0.00 55.06 57.23 2kc5 s HIS 29 Cb 0.01 -3.49 1.03 0.00 -0.00 0.00 0.00 32.58 30.13 2kc5 s HIS 29 CO 0.25 -2.61 2.01 0.22 -0.00 0.00 0.00 174.74 174.60 2kc5 h ASP 30 N -0.19 0.00 0.73 1.40 3.58 -1.92 -1.34 116.42 118.69 2kc5 h ASP 30 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kc5 h ASP 30 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2kc5 h ASP 30 CO 0.50 0.16 -0.16 0.00 -2.88 0.00 0.00 179.24 176.87 2kc5 n LEU 31 N -4.34 0.21 -4.80 2.28 -0.00 -1.26 -4.88 117.00 104.21 2kc5 n LEU 31 Ca -0.03 0.27 -0.35 0.00 -0.00 0.00 0.00 56.01 55.91 2kc5 n LEU 31 Cb 0.23 -0.37 -0.07 0.00 -0.00 0.00 0.00 43.42 43.22 2kc5 n LEU 31 CO 0.36 0.05 0.65 -0.44 -0.00 0.00 0.00 177.39 178.01 2kc5 s SER 32 N -2.89 7.09 -0.05 1.45 0.01 -0.51 -5.00 113.70 113.80 2kc5 s SER 32 Ca 0.16 1.76 0.23 0.00 1.31 0.00 0.00 55.95 59.41 2kc5 s SER 32 Cb 0.19 -2.56 0.43 0.00 0.21 0.00 0.00 66.02 64.30 2kc5 s SER 32 CO 0.56 -0.25 1.17 0.33 0.41 0.00 0.00 173.24 175.46 2kc5 n PHE 33 N -0.16 0.13 -1.96 2.43 7.35 -1.26 -4.91 117.46 119.07 2kc5 n PHE 33 Ca 0.05 -0.79 -0.38 0.00 -0.76 0.00 0.00 57.45 55.57 2kc5 n PHE 33 Cb 0.52 -0.17 0.03 0.00 0.35 0.00 0.00 39.48 40.21 2kc5 n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2kc5 s LEU 34 N -0.81 3.86 0.33 -2.13 2.01 -1.26 -4.99 118.68 115.69 2kc5 s LEU 34 Ca 0.34 2.56 -0.28 0.00 0.01 0.00 0.00 54.13 56.77 2kc5 s LEU 34 Cb 0.38 -4.33 -0.10 0.00 0.01 0.00 0.00 46.19 42.15 2kc5 s LEU 34 CO -0.14 -1.40 1.22 -2.28 1.01 0.00 0.00 176.35 174.76 2kc5 s HIS 35 N -1.42 3.19 0.34 0.29 5.65 -1.26 -4.95 115.29 117.13 2kc5 s HIS 35 Ca 0.71 1.52 0.08 0.00 0.25 0.00 0.00 55.06 57.62 2kc5 s HIS 35 Cb -0.35 -3.51 0.62 0.00 -1.18 0.00 0.00 32.58 28.16 2kc5 s HIS 35 CO 0.41 -1.39 1.82 -1.35 -0.65 0.00 0.00 174.74 173.58 2kc5 h PRO 36 N 3.33 0.26 0.00 2.88 0.11 -1.97 -3.47 132.00 133.14 2kc5 h PRO 36 Ca -0.48 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2kc5 h PRO 36 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kc5 h PRO 36 CO 0.65 0.49 0.00 0.43 -0.21 0.00 0.00 178.00 179.37 2kc5 n SER 37 N -4.16 0.00 -3.44 -2.05 7.64 -1.26 -4.80 113.62 105.54 2kc5 n SER 37 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 2kc5 n SER 37 Cb 0.36 -1.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.00 2kc5 n SER 37 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kc5 s MET 38 N -0.37 0.55 0.21 1.43 -1.94 -1.26 -4.75 119.30 113.17 2kc5 s MET 38 Ca 0.00 -1.20 -0.32 0.00 -1.71 0.00 0.00 55.69 52.47 2kc5 s MET 38 Cb 0.00 -1.17 -0.14 0.00 2.01 0.00 0.00 34.83 35.52 2kc5 s MET 38 CO 0.00 -1.20 1.28 -2.30 -0.01 0.00 0.00 175.02 172.79 2kc5 n PRO 39 N 4.14 1.60 -1.93 2.03 -0.02 -1.26 -3.70 135.00 135.85 2kc5 n PRO 39 Ca 0.11 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2kc5 n PRO 39 Cb 0.39 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2kc5 n PRO 39 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kc5 s VAL 40 N -0.14 2.74 -0.00 -1.45 1.01 -1.26 -4.66 120.40 116.63 2kc5 s VAL 40 Ca 0.70 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 2kc5 s VAL 40 Cb -0.75 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2kc5 s VAL 40 CO 0.51 0.03 0.27 -0.47 0.00 0.00 0.00 175.10 175.44 2kc5 s TYR 41 N 1.55 -0.12 -0.06 5.22 5.04 -0.70 -4.98 117.35 123.30 2kc5 s TYR 41 Ca 0.71 0.13 -0.03 0.00 -2.44 0.00 0.00 57.07 55.44 2kc5 s TYR 41 Cb -0.43 0.06 0.04 0.00 0.35 0.00 0.00 41.96 41.98 2kc5 s TYR 41 CO 0.31 -0.39 0.11 0.08 -1.34 0.00 0.00 175.55 174.33 2kc5 s VAL 42 N -1.55 -0.17 0.21 3.14 1.01 -1.26 -0.94 120.40 120.83 2kc5 s VAL 42 Ca -0.12 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 2kc5 s VAL 42 Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2kc5 s VAL 42 CO 0.02 0.15 0.40 -0.94 0.00 0.00 0.00 175.10 174.74 2kc5 s SER 43 N 2.11 6.38 0.02 3.32 1.04 -0.36 -4.90 113.70 121.30 2kc5 s SER 43 Ca 0.03 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.93 2kc5 s SER 43 Cb -0.12 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 2kc5 s SER 43 CO -0.04 -0.05 -0.25 -0.62 0.98 0.00 0.00 173.24 173.25 2kc5 s ASP 44 N -3.22 3.21 0.20 7.02 2.15 -1.26 -1.82 116.67 122.94 2kc5 s ASP 44 Ca 0.38 -0.53 -0.08 0.00 0.43 0.00 0.00 52.55 52.75 2kc5 s ASP 44 Cb -0.11 -0.35 -0.01 0.00 -0.30 0.00 0.00 42.92 42.15 2kc5 s ASP 44 CO 0.29 0.28 0.31 -0.36 -0.17 0.00 0.00 175.17 175.52 2kc5 s PHE 45 N -0.75 0.55 0.00 -5.34 0.08 0.34 -4.90 117.98 107.96 2kc5 s PHE 45 Ca 0.11 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.28 2kc5 s PHE 45 Cb -0.10 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 2kc5 s PHE 45 CO 0.01 -0.79 0.00 2.41 -0.10 0.00 0.00 175.22 176.76 2kc5 n THR 46 N -0.28 0.00 -2.62 0.64 -1.04 -1.26 -2.19 114.28 107.53 2kc5 n THR 46 Ca -0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 2kc5 n THR 46 Cb 0.63 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.11 2kc5 n THR 46 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2kc5 s LEU 47 N 0.00 4.32 -0.04 -4.42 2.96 -1.26 -1.21 118.68 119.03 2kc5 s LEU 47 Ca 0.00 1.70 -0.11 0.00 -0.22 0.00 0.00 54.13 55.50 2kc5 s LEU 47 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 2kc5 s LEU 47 CO 0.00 -0.40 0.25 0.12 -1.32 0.00 0.00 176.35 175.01 2kc5 s PHE 48 N 1.49 -0.17 -1.35 5.38 5.36 0.10 -4.88 117.98 123.91 2kc5 s PHE 48 Ca 0.53 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 2kc5 s PHE 48 Cb -0.22 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2kc5 s PHE 48 CO 0.24 -0.27 0.00 0.39 -1.46 0.00 0.00 175.22 174.12 2kc5 n GLU 49 N 1.96 -1.83 -1.81 10.12 -0.58 -1.26 -1.10 120.64 126.15 2kc5 n GLU 49 Ca -0.18 0.76 -0.11 0.00 -0.42 0.00 0.00 57.16 57.20 2kc5 n GLU 49 Cb 0.57 -5.26 -0.03 0.00 -0.57 0.00 0.00 31.44 26.15 2kc5 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kc5 n GLY 50 N -0.66 0.52 3.20 0.62 0.00 -1.26 -5.00 105.19 102.61 2kc5 n GLY 50 Ca -0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 2kc5 n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kc5 s GLN 51 N -3.83 0.60 0.25 1.61 -2.07 -0.26 -2.00 119.66 113.96 2kc5 s GLN 51 Ca 0.00 -0.18 -0.30 0.00 -1.82 0.00 0.00 55.36 53.06 2kc5 s GLN 51 Cb 0.00 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 32.09 2kc5 s GLN 51 CO 0.00 -0.16 0.95 -1.58 -1.32 0.00 0.00 175.29 173.18 2kc5 s TRP 52 N -1.21 3.95 0.53 9.60 0.52 0.20 -0.72 118.94 131.80 2kc5 s TRP 52 Ca -0.13 1.90 -0.07 0.00 0.02 0.00 0.00 56.10 57.82 2kc5 s TRP 52 Cb -0.05 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 2kc5 s TRP 52 CO 0.03 0.40 0.86 0.95 0.02 0.00 0.00 176.95 179.21 2kc5 s THR 53 N -1.21 4.82 0.04 2.01 -4.23 -0.35 -1.49 115.64 115.23 2kc5 s THR 53 Ca 0.42 0.41 -0.28 0.00 -1.18 0.00 0.00 61.69 61.06 2kc5 s THR 53 Cb -0.26 -3.86 0.09 0.00 1.34 0.00 0.00 72.50 69.82 2kc5 s THR 53 CO 0.32 -0.94 0.91 -0.83 -0.54 0.00 0.00 174.62 173.54 2kc5 s GLY 54 N -4.13 -0.40 0.02 3.99 0.00 0.32 -0.50 107.32 106.61 2kc5 s GLY 54 Ca 0.50 0.78 0.01 0.00 0.00 0.00 0.00 44.72 46.00 2kc5 s GLY 54 CO 0.48 0.25 -0.03 0.00 0.00 0.00 0.00 173.10 173.79 2kc5 s VAL 56 N -1.02 1.97 0.10 0.00 0.11 0.05 -1.23 120.40 120.38 2kc5 s VAL 56 Ca -0.10 -1.51 0.06 0.00 -2.93 0.00 0.00 61.98 57.51 2kc5 s VAL 56 Cb -0.07 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 2kc5 s VAL 56 CO -0.00 0.14 -0.17 -0.51 -3.33 0.00 0.00 175.10 171.23 2kc5 s ILE 57 N -0.97 1.39 0.31 7.04 2.07 -0.12 -1.15 121.20 129.78 2kc5 s ILE 57 Ca 0.10 -1.50 0.04 0.00 -1.41 0.00 0.00 60.65 57.88 2kc5 s ILE 57 Cb -0.10 -1.36 -0.02 0.00 0.13 0.00 0.00 42.46 41.11 2kc5 s ILE 57 CO 0.04 -0.22 0.31 0.42 -1.91 0.00 0.00 174.94 173.58 2kc5 s THR 58 N -1.46 0.00 0.51 4.00 -4.23 0.13 -1.73 115.64 112.87 2kc5 s THR 58 Ca 0.04 -1.90 0.15 0.00 -1.18 0.00 0.00 61.69 58.80 2kc5 s THR 58 Cb -0.09 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.49 2kc5 s THR 58 CO 0.03 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 175.59 2kc5 h PRO 59 N 2.20 0.05 0.00 3.99 0.11 -1.87 -3.28 132.00 133.20 2kc5 h PRO 59 Ca -0.27 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 2kc5 h PRO 59 Cb 1.24 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2kc5 h PRO 59 CO 0.39 0.04 -1.72 -2.67 -0.21 0.00 0.00 178.00 173.83 2kc5 n TRP 60 N -4.52 0.57 -3.90 0.65 4.27 -1.26 -4.60 117.44 108.65 2kc5 n TRP 60 Ca -0.02 0.19 -0.08 0.00 -3.89 0.00 0.00 57.50 53.70 2kc5 n TRP 60 Cb 0.10 -0.95 -0.03 0.00 -1.36 0.00 0.00 31.31 29.07 2kc5 n TRP 60 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2kc5 s MET 61 N -2.97 1.74 -0.05 -2.67 0.23 -1.24 -4.56 119.30 109.78 2kc5 s MET 61 Ca -0.05 -1.09 -0.01 0.00 -1.03 0.00 0.00 55.69 53.51 2kc5 s MET 61 Cb 0.09 0.57 0.03 0.00 -1.53 0.00 0.00 34.83 33.99 2kc5 s MET 61 CO 0.83 -0.78 0.02 -1.17 -2.03 0.00 0.00 175.02 171.89 2kc5 s LEU 62 N -2.96 0.69 -0.02 0.18 0.20 -0.39 -0.69 118.68 115.70 2kc5 s LEU 62 Ca 0.15 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.96 2kc5 s LEU 62 Cb -0.04 -0.26 0.01 0.00 -0.43 0.00 0.00 46.19 45.46 2kc5 s LEU 62 CO 0.08 -0.17 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.51 2kc5 s SER 63 N 1.64 0.44 0.27 3.68 0.01 -0.30 -0.72 113.70 118.73 2kc5 s SER 63 Ca -0.01 -0.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 2kc5 s SER 63 Cb -0.13 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.85 2kc5 s SER 63 CO -0.03 -0.03 1.10 0.00 0.41 0.00 0.00 173.24 174.69 2kc5 s ALA 64 N 0.50 3.41 -0.00 1.44 0.00 0.10 -0.77 121.76 126.44 2kc5 s ALA 64 Ca -0.05 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2kc5 s ALA 64 Cb -0.08 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2kc5 s ALA 64 CO -0.01 -0.17 -0.01 0.14 0.00 0.00 0.00 175.76 175.71 2kc5 s VAL 65 N -1.08 0.08 -0.01 0.00 -7.23 -0.20 -1.03 120.40 110.93 2kc5 s VAL 65 Ca 0.45 -0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.58 2kc5 s VAL 65 Cb -0.32 -0.08 -0.00 0.00 0.56 0.00 0.00 36.38 36.54 2kc5 s VAL 65 CO 0.41 0.01 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.53 2kc5 s ILE 66 N -0.05 0.43 0.04 -0.62 -1.09 0.80 -0.52 121.20 120.19 2kc5 s ILE 66 Ca 0.00 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.26 2kc5 s ILE 66 Cb -0.01 -0.38 -0.02 0.00 -1.58 0.00 0.00 42.46 40.47 2kc5 s ILE 66 CO -0.00 0.13 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.35 2kc5 s PHE 67 N 0.02 1.12 0.26 3.97 0.08 -0.55 -1.15 117.98 121.73 2kc5 s PHE 67 Ca 0.00 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 2kc5 s PHE 67 Cb -0.04 -0.67 -0.14 0.00 -0.57 0.00 0.00 43.02 41.60 2kc5 s PHE 67 CO -0.00 0.02 1.15 -2.30 -0.10 0.00 0.00 175.22 173.99 2kc5 n PRO 68 N 1.95 1.50 -1.13 0.24 -0.02 -1.26 -0.63 135.00 135.65 2kc5 n PRO 68 Ca -0.18 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2kc5 n PRO 68 Cb 0.55 -2.01 0.25 0.00 -0.02 0.00 0.00 33.50 32.27 2kc5 n PRO 68 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kc5 s GLY 69 N -0.24 1.61 0.04 -1.23 0.00 -0.85 -1.87 107.32 104.79 2kc5 s GLY 69 Ca 0.64 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 2kc5 s GLY 69 CO 0.56 -0.17 1.70 2.56 0.00 0.00 0.00 173.10 177.76 2kc5 s PRO 70 N -5.55 4.18 -1.31 2.90 0.04 -0.90 -2.06 135.00 132.30 2kc5 s PRO 70 Ca 0.73 2.35 -0.10 0.00 0.04 0.00 0.00 61.00 64.02 2kc5 s PRO 70 Cb -0.07 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.80 2kc5 s PRO 70 CO 0.55 -0.79 0.51 -3.47 0.04 0.00 0.00 177.00 173.84 2kc5 n ASP 71 N 6.16 -3.77 -4.70 6.66 2.03 -1.26 -4.90 116.55 116.76 2kc5 n ASP 71 Ca 0.17 -0.41 -0.37 0.00 0.52 0.00 0.00 54.79 54.70 2kc5 n ASP 71 Cb 0.41 -3.12 -0.07 0.00 -0.72 0.00 0.00 41.12 37.62 2kc5 n ASP 71 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kc5 s GLN 72 N -6.04 4.21 -0.86 -0.67 -1.52 -1.08 -4.86 119.66 108.84 2kc5 s GLN 72 Ca 0.41 0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.92 2kc5 s GLN 72 Cb -0.22 -3.48 0.24 0.00 -0.22 0.00 0.00 33.01 29.34 2kc5 s GLN 72 CO 0.50 0.12 0.89 1.28 -0.25 0.00 0.00 175.29 177.83 2kc5 n LEU 73 N 3.98 4.45 -4.77 2.90 4.32 -1.26 -2.33 117.00 124.29 2kc5 n LEU 73 Ca -0.11 -5.23 -0.36 0.00 -0.02 0.00 0.00 56.01 50.29 2kc5 n LEU 73 Cb 0.52 -1.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.32 2kc5 n LEU 73 CO 0.39 1.72 0.81 0.26 -1.22 0.00 0.00 177.39 179.36 2kc5 s TRP 74 N -1.93 2.65 0.61 -1.77 0.51 -1.22 -4.84 118.94 112.96 2kc5 s TRP 74 Ca 0.31 1.53 -0.17 0.00 -2.12 0.00 0.00 56.10 55.65 2kc5 s TRP 74 Cb 0.01 -3.36 -0.02 0.00 -0.81 0.00 0.00 33.47 29.28 2kc5 s TRP 74 CO -0.06 -1.73 1.16 -1.25 -0.51 0.00 0.00 176.95 174.57 2kc5 s PRO 75 N -3.15 2.93 0.20 4.98 0.04 -1.26 -0.48 135.00 138.26 2kc5 s PRO 75 Ca 0.72 1.64 -0.33 0.00 0.04 0.00 0.00 61.00 63.07 2kc5 s PRO 75 Cb -0.27 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 2kc5 s PRO 75 CO 0.30 -1.20 1.54 -0.11 0.04 0.00 0.00 177.00 177.58 2kc5 n LEU 76 N -1.87 3.31 -4.96 -3.56 7.94 -0.13 -4.54 117.00 113.20 2kc5 n LEU 76 Ca 0.12 1.10 -0.23 0.00 -1.11 0.00 0.00 56.01 55.89 2kc5 n LEU 76 Cb 0.51 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 2kc5 n LEU 76 CO 0.45 -0.26 -0.04 -0.13 -1.11 0.00 0.00 177.39 176.30 2kc5 s ARG 77 N 0.40 3.45 0.22 1.96 3.00 -1.26 -4.93 118.95 121.79 2kc5 s ARG 77 Ca 0.74 -0.65 -0.11 0.00 0.00 0.00 0.00 55.73 55.71 2kc5 s ARG 77 Cb -0.63 -2.90 -0.07 0.00 0.00 0.00 0.00 34.95 31.35 2kc5 s ARG 77 CO 0.42 0.44 0.56 0.21 0.00 0.00 0.00 175.30 176.93 2kc5 s LYS 78 N -3.71 3.86 0.30 3.54 2.47 -1.26 -5.08 119.74 119.86 2kc5 s LYS 78 Ca 0.35 0.36 -0.05 0.00 -1.56 0.00 0.00 55.97 55.06 2kc5 s LYS 78 Cb -0.10 -2.69 -0.05 0.00 -1.46 0.00 0.00 37.83 33.53 2kc5 s LYS 78 CO 0.29 0.34 0.58 0.08 0.16 0.00 0.00 175.35 176.80 2kc5 s VAL 79 N -1.75 5.00 -1.58 4.02 1.01 -1.26 -4.04 120.40 121.79 2kc5 s VAL 79 Ca 0.46 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 2kc5 s VAL 79 Cb -0.12 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2kc5 s VAL 79 CO 0.20 -0.35 0.42 -1.20 0.00 0.00 0.00 175.10 174.18 2kc5 n SER 80 N -1.00 -5.96 -4.63 3.32 7.64 0.04 -4.99 113.62 108.04 2kc5 n SER 80 Ca -0.01 -0.20 -0.26 0.00 1.01 0.00 0.00 58.87 59.40 2kc5 n SER 80 Cb 0.54 -4.83 -0.08 0.00 -1.01 0.00 0.00 64.21 58.83 2kc5 n SER 80 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kc5 s GLU 81 N -5.48 2.28 -0.05 1.43 0.41 -1.26 -4.94 118.70 111.10 2kc5 s GLU 81 Ca 0.21 -1.21 -0.01 0.00 -0.41 0.00 0.00 54.97 53.54 2kc5 s GLU 81 Cb -0.09 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 29.96 2kc5 s GLU 81 CO 0.26 0.43 0.04 0.15 -0.49 0.00 0.00 175.26 175.65 2kc5 s LYS 82 N -3.05 3.01 -0.08 1.61 1.02 -1.26 -0.26 119.74 120.73 2kc5 s LYS 82 Ca 0.27 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2kc5 s LYS 82 Cb -0.09 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2kc5 s LYS 82 CO 0.18 0.68 -0.23 0.42 -0.92 0.00 0.00 175.35 175.48 2kc5 s ILE 83 N -1.01 1.93 -0.04 2.17 -1.09 -0.18 -4.96 121.20 118.03 2kc5 s ILE 83 Ca 0.17 -0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 57.33 2kc5 s ILE 83 Cb -0.12 -1.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 2kc5 s ILE 83 CO 0.07 0.53 1.16 -0.83 -1.23 0.00 0.00 174.94 174.64 2kc5 s GLY 84 N 0.23 2.24 -0.18 6.18 0.00 -1.26 -0.93 107.32 113.60 2kc5 s GLY 84 Ca -0.14 0.62 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 2kc5 s GLY 84 CO 0.07 2.11 -0.09 1.08 0.00 0.00 0.00 173.10 176.27 2kc5 s LEU 85 N 1.92 2.81 0.14 0.66 1.43 -0.23 -4.96 118.68 120.45 2kc5 s LEU 85 Ca 0.55 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 2kc5 s LEU 85 Cb -0.24 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 2kc5 s LEU 85 CO 0.23 0.07 1.18 -1.58 0.23 0.00 0.00 176.35 176.49 2kc5 s GLN 86 N 0.92 4.49 0.05 1.70 -0.44 -1.26 -1.63 119.66 123.48 2kc5 s GLN 86 Ca -0.02 1.82 -0.02 0.00 -2.50 0.00 0.00 55.36 54.64 2kc5 s GLN 86 Cb -0.15 -3.28 -0.03 0.00 -1.64 0.00 0.00 33.01 27.91 2kc5 s GLN 86 CO 0.00 -0.12 0.01 -0.51 0.50 0.00 0.00 175.29 175.17 2kc5 s LEU 87 N 0.21 2.26 0.53 3.68 1.43 -1.25 -4.73 118.68 120.82 2kc5 s LEU 87 Ca 0.54 -0.85 0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2kc5 s LEU 87 Cb -0.31 0.33 1.36 0.00 0.03 0.00 0.00 46.19 47.59 2kc5 s LEU 87 CO 0.34 -0.57 2.09 -0.65 0.23 0.00 0.00 176.35 177.79 2kc5 h PRO 88 N 3.34 0.00 0.00 1.29 0.11 -1.84 0.05 132.00 134.95 2kc5 h PRO 88 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2kc5 h PRO 88 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kc5 h PRO 88 CO 0.60 0.00 0.00 -0.92 -0.21 0.00 0.00 178.00 177.47 2kc5 h TYR 89 N 0.00 0.00 0.00 0.65 3.20 -1.80 -3.47 116.97 115.55 2kc5 h TYR 89 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2kc5 h TYR 89 Cb 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2kc5 h TYR 89 CO 0.00 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.93 2kc5 n GLY 90 N -0.64 2.80 3.73 1.82 0.00 0.00 -5.04 105.19 107.86 2kc5 n GLY 90 Ca -0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2kc5 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc5 s THR 91 N -2.45 2.67 0.00 2.61 2.01 -1.26 -3.86 115.64 115.37 2kc5 s THR 91 Ca 0.00 0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 2kc5 s THR 91 Cb 0.00 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2kc5 s THR 91 CO 0.00 0.06 0.02 -0.04 -0.69 0.00 0.00 174.62 173.97 2kc5 s MET 92 N 0.43 0.22 0.17 4.92 1.00 -0.64 -4.96 119.30 120.43 2kc5 s MET 92 Ca 0.65 -0.30 -0.30 0.00 0.00 0.00 0.00 55.69 55.74 2kc5 s MET 92 Cb -0.42 0.09 -0.07 0.00 0.00 0.00 0.00 34.83 34.42 2kc5 s MET 92 CO 0.37 -0.04 0.97 0.95 0.00 0.00 0.00 175.02 177.27 2kc5 s THR 93 N -0.82 4.25 -0.05 2.05 -4.23 -1.26 -1.07 115.64 114.51 2kc5 s THR 93 Ca -0.09 2.02 0.04 0.00 -1.18 0.00 0.00 61.69 62.48 2kc5 s THR 93 Cb -0.06 -4.29 -0.02 0.00 1.34 0.00 0.00 72.50 69.47 2kc5 s THR 93 CO -0.00 0.38 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.93 2kc5 s PHE 94 N -0.50 2.63 0.06 3.99 0.40 -0.10 -4.89 117.98 119.57 2kc5 s PHE 94 Ca 0.45 -0.23 -0.22 0.00 -0.60 0.00 0.00 56.93 56.33 2kc5 s PHE 94 Cb -0.25 -1.61 -0.06 0.00 0.51 0.00 0.00 43.02 41.61 2kc5 s PHE 94 CO 0.31 0.13 0.66 0.99 0.70 0.00 0.00 175.22 178.02 2kc5 s THR 95 N -0.68 4.72 -0.02 0.64 2.01 0.05 -1.01 115.64 121.36 2kc5 s THR 95 Ca 0.10 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 2kc5 s THR 95 Cb -0.11 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 2kc5 s THR 95 CO 0.00 0.46 1.56 -0.69 -0.69 0.00 0.00 174.62 175.26 2kc5 s VAL 96 N -0.59 3.55 0.31 3.82 1.01 0.64 -0.70 120.40 128.44 2kc5 s VAL 96 Ca 0.33 0.82 0.08 0.00 0.00 0.00 0.00 61.98 63.21 2kc5 s VAL 96 Cb -0.20 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2kc5 s VAL 96 CO 0.21 -0.04 0.16 -0.83 0.00 0.00 0.00 175.10 174.60 2kc5 s GLY 97 N 2.63 1.74 -0.36 4.51 0.00 0.25 -0.78 107.32 115.30 2kc5 s GLY 97 Ca 0.70 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2kc5 s GLY 97 CO 0.28 -1.64 0.17 1.85 0.00 0.00 0.00 173.10 173.76 2kc5 s GLU 98 N -3.85 0.85 -0.08 2.90 2.12 -1.26 -1.85 118.70 117.52 2kc5 s GLU 98 Ca 0.36 -1.42 -0.29 0.00 0.36 0.00 0.00 54.97 53.98 2kc5 s GLU 98 Cb -0.05 -1.91 -0.02 0.00 0.26 0.00 0.00 34.13 32.41 2kc5 s GLU 98 CO 0.24 -1.10 0.99 -1.17 -0.54 0.00 0.00 175.26 173.68 2kc5 s LEU 99 N 1.08 4.27 0.25 2.70 2.96 -0.89 -4.95 118.68 124.10 2kc5 s LEU 99 Ca 0.14 1.54 -0.31 0.00 -0.22 0.00 0.00 54.13 55.28 2kc5 s LEU 99 Cb -0.21 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 2kc5 s LEU 99 CO -0.11 -0.40 1.67 -0.67 -1.32 0.00 0.00 176.35 175.52 2kc5 n ASP 100 N 4.75 3.95 0.00 3.68 2.03 -1.26 -1.26 116.55 128.44 2kc5 n ASP 100 Ca 0.08 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2kc5 n ASP 100 Cb 0.49 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 2kc5 n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc5 n GLY 101 N 3.12 0.54 0.00 0.27 0.00 -1.26 -4.83 105.19 103.04 2kc5 n GLY 101 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kc5 n GLY 101 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kc5 n VAL 102 N -2.41 0.00 -3.83 1.61 0.31 -0.39 -5.01 118.33 108.62 2kc5 n VAL 102 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2kc5 n VAL 102 Cb 0.07 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.02 2kc5 n VAL 102 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2kc5 s SER 103 N 1.00 0.06 0.24 4.52 1.04 -1.18 -4.94 113.70 114.45 2kc5 s SER 103 Ca 0.00 -1.16 -0.30 0.00 0.48 0.00 0.00 55.95 54.97 2kc5 s SER 103 Cb 0.00 0.84 -0.09 0.00 0.10 0.00 0.00 66.02 66.87 2kc5 s SER 103 CO 0.00 -1.66 1.14 -1.10 0.98 0.00 0.00 173.24 172.59 2kc5 s GLN 104 N -2.38 4.58 0.19 4.02 -0.21 -1.26 -2.09 119.66 122.51 2kc5 s GLN 104 Ca 0.16 1.83 -0.16 0.00 0.02 0.00 0.00 55.36 57.22 2kc5 s GLN 104 Cb -0.05 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.77 2kc5 s GLN 104 CO 0.12 0.09 0.48 1.52 -2.12 0.00 0.00 175.29 175.37 2kc5 s TYR 105 N -0.73 0.01 -0.14 0.91 1.13 -0.77 -4.77 117.35 112.99 2kc5 s TYR 105 Ca 0.48 -0.36 -0.02 0.00 -1.41 0.00 0.00 57.07 55.76 2kc5 s TYR 105 Cb -0.32 0.30 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 2kc5 s TYR 105 CO 0.40 -0.89 -0.08 -0.51 -2.51 0.00 0.00 175.55 171.96 2kc5 s LEU 106 N -2.90 3.00 0.07 -3.49 1.02 -0.30 -0.58 118.68 115.49 2kc5 s LEU 106 Ca 0.11 -0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.09 2kc5 s LEU 106 Cb -0.00 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 2kc5 s LEU 106 CO -0.01 0.18 -0.13 -0.44 0.02 0.00 0.00 176.35 175.96 2kc5 s SER 107 N 0.31 1.60 -0.08 2.29 0.01 0.13 -0.14 113.70 117.82 2kc5 s SER 107 Ca -0.07 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 56.53 2kc5 s SER 107 Cb -0.15 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.09 2kc5 s SER 107 CO 0.04 -0.10 0.15 0.00 0.41 0.00 0.00 173.24 173.74 2kc5 s SER 109 N 2.12 7.34 -0.04 0.00 0.01 -1.26 -0.72 113.70 121.15 2kc5 s SER 109 Ca 0.01 2.10 -0.02 0.00 1.31 0.00 0.00 55.95 59.35 2kc5 s SER 109 Cb -0.12 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 2kc5 s SER 109 CO -0.06 -0.13 -0.05 0.18 0.41 0.00 0.00 173.24 173.60 2kc5 n LEU 110 N 1.93 0.45 -3.79 2.44 7.99 0.10 -4.92 117.00 121.22 2kc5 n LEU 110 Ca 0.01 0.34 -0.03 0.00 -0.01 0.00 0.00 56.01 56.32 2kc5 n LEU 110 Cb 0.46 -0.59 -0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2kc5 n LEU 110 CO 0.53 -0.49 0.79 0.00 -1.51 0.00 0.00 177.39 176.71 2kc5 s MET 111 N -1.32 1.16 -0.14 3.23 0.23 -1.21 -5.04 119.30 116.21 2kc5 s MET 111 Ca -0.04 -0.68 -0.26 0.00 -1.03 0.00 0.00 55.69 53.68 2kc5 s MET 111 Cb 0.01 0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2kc5 s MET 111 CO 0.06 -0.54 0.86 -1.12 -2.03 0.00 0.00 175.02 172.25 2kc5 s SER 112 N -3.12 7.03 -0.07 -1.18 0.01 -1.26 -1.26 113.70 113.85 2kc5 s SER 112 Ca 0.16 1.26 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 2kc5 s SER 112 Cb -0.01 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.76 2kc5 s SER 112 CO 0.03 -0.37 2.18 -0.81 0.41 0.00 0.00 173.24 174.68 2kc5 n PRO 113 N 4.99 1.29 -0.94 12.44 -0.04 -1.26 -4.62 135.00 146.85 2kc5 n PRO 113 Ca 0.05 -0.46 -0.15 0.00 -0.04 0.00 0.00 63.50 62.90 2kc5 n PRO 113 Cb 0.49 -1.24 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2kc5 n PRO 113 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kc5 n LEU 114 N 1.36 6.16 -4.75 1.53 4.77 -1.26 -4.96 117.00 119.86 2kc5 n LEU 114 Ca 0.11 -3.26 -0.33 0.00 -0.03 0.00 0.00 56.01 52.50 2kc5 n LEU 114 Cb 0.56 -1.13 0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2kc5 n LEU 114 CO 0.09 1.32 0.75 -0.44 -1.33 0.00 0.00 177.39 177.79 2kc5 s SER 115 N 0.70 4.58 -0.04 -1.43 0.01 -1.26 -4.99 113.70 111.26 2kc5 s SER 115 Ca 0.33 2.13 -0.19 0.00 1.31 0.00 0.00 55.95 59.54 2kc5 s SER 115 Cb 0.23 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.77 2kc5 s SER 115 CO -0.04 -1.99 0.79 -0.74 0.41 0.00 0.00 173.24 171.67 2kc5 h HIS 116 N -0.30 -0.34 -2.50 2.43 2.76 -2.02 -3.39 115.15 111.80 2kc5 h HIS 116 Ca -0.47 -0.01 -0.60 0.00 -2.20 0.00 0.00 60.37 57.10 2kc5 h HIS 116 Cb 1.26 0.11 -0.12 0.00 1.55 0.00 0.00 27.41 30.22 2kc5 h HIS 116 CO 0.52 -0.01 0.77 -1.12 -1.30 0.00 0.00 177.93 176.78 2kc5 s SER 117 N -5.22 6.19 -0.22 3.26 0.01 -1.26 -4.94 113.70 111.52 2kc5 s SER 117 Ca -0.11 -0.84 -0.20 0.00 1.31 0.00 0.00 55.95 56.12 2kc5 s SER 117 Cb 0.01 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.82 2kc5 s SER 117 CO 0.38 -1.58 0.59 -0.32 0.41 0.00 0.00 173.24 172.72 2kc5 s MET 118 N 4.66 0.68 0.15 12.44 0.00 -1.26 -5.11 119.30 130.86 2kc5 s MET 118 Ca 0.28 0.83 -0.10 0.00 0.00 0.00 0.00 55.69 56.69 2kc5 s MET 118 Cb -0.13 0.32 -0.00 0.00 0.00 0.00 0.00 34.83 35.03 2kc5 s MET 118 CO 0.11 -0.08 0.30 -1.12 0.00 0.00 0.00 175.02 174.22 2kc5 s SER 119 N 0.36 0.01 0.34 1.11 0.01 -1.26 -5.03 113.70 109.23 2kc5 s SER 119 Ca -0.00 -0.75 0.10 0.00 1.31 0.00 0.00 55.95 56.60 2kc5 s SER 119 Cb -0.04 0.44 0.85 0.00 0.21 0.00 0.00 66.02 67.47 2kc5 s SER 119 CO 0.00 -0.88 1.80 0.40 0.41 0.00 0.00 173.24 174.97 2kc5 h ILE 120 N 2.53 0.69 -0.01 1.44 2.04 -2.00 -0.07 117.51 122.14 2kc5 h ILE 120 Ca -0.32 -0.22 -0.22 0.00 1.00 0.00 0.00 64.86 65.10 2kc5 h ILE 120 Cb 1.23 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2kc5 h ILE 120 CO 0.48 0.12 -0.91 -0.33 0.00 0.00 0.00 178.15 177.52 2kc5 h GLU 121 N 0.66 0.36 0.00 2.37 4.39 -1.99 -2.51 114.58 117.85 2kc5 h GLU 121 Ca 0.55 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 2kc5 h GLU 121 Cb 1.00 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2kc5 h GLU 121 CO -0.32 1.06 -0.36 0.93 -1.16 0.00 0.00 179.01 179.16 2kc5 h GLU 122 N 0.21 0.00 0.47 2.33 5.08 -1.62 0.10 114.58 121.15 2kc5 h GLU 122 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2kc5 h GLU 122 Cb 1.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 2kc5 h GLU 122 CO 0.15 0.36 -0.28 0.78 -1.00 0.00 0.00 179.01 179.02 2kc5 h GLY 123 N 1.27 -0.75 0.82 -3.84 0.00 -0.65 0.95 103.07 100.87 2kc5 h GLY 123 Ca -0.00 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2kc5 h GLY 123 CO 0.05 -0.28 -0.05 1.46 0.00 0.00 0.00 176.54 177.71 2kc5 h GLN 124 N -0.71 -0.15 0.00 4.80 4.20 -1.28 -2.45 115.11 119.52 2kc5 h GLN 124 Ca -0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2kc5 h GLN 124 Cb 0.58 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2kc5 h GLN 124 CO 0.06 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 2kc5 h ARG 125 N -0.33 0.00 0.00 1.46 3.08 -0.79 -1.57 114.38 116.22 2kc5 h ARG 125 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 2kc5 h ARG 125 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2kc5 h ARG 125 CO 0.03 0.00 -1.29 1.25 -1.07 0.00 0.00 179.97 178.89 2kc5 h LEU 126 N 0.00 0.00 -0.10 3.04 5.85 -0.65 0.13 115.31 123.58 2kc5 h LEU 126 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2kc5 h LEU 126 Cb 0.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2kc5 h LEU 126 CO 0.00 0.59 0.04 0.74 -0.34 0.00 0.00 178.44 179.46 2kc5 h THR 127 N 0.00 1.16 -0.06 1.05 2.02 -0.83 0.12 112.91 116.37 2kc5 h THR 127 Ca -0.14 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2kc5 h THR 127 Cb 1.57 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2kc5 h THR 127 CO 0.05 0.14 0.04 -0.78 0.37 0.00 0.00 175.52 175.34 2kc5 h ASP 128 N -0.01 0.07 -0.25 4.18 3.58 -1.38 -2.28 116.42 120.33 2kc5 h ASP 128 Ca 0.03 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 2kc5 h ASP 128 Cb 0.19 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2kc5 h ASP 128 CO -0.00 0.11 0.08 -0.78 -2.88 0.00 0.00 179.24 175.76 2kc5 h ASP 129 N 0.03 0.43 0.58 2.28 3.58 -0.70 0.86 116.42 123.48 2kc5 h ASP 129 Ca 0.02 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.33 2kc5 h ASP 129 Cb 0.05 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2kc5 h ASP 129 CO -0.00 0.44 -0.42 0.00 -2.88 0.00 0.00 179.24 176.37 2kc5 h ALA 131 N 1.58 -0.03 -0.42 0.00 0.00 -0.80 -3.29 119.26 116.30 2kc5 h ALA 131 Ca -0.00 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.62 2kc5 h ALA 131 Cb 0.83 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2kc5 h ALA 131 CO 0.05 -0.12 -0.09 -0.09 0.00 0.00 0.00 179.25 179.01 2kc5 h ARG 132 N -0.83 0.01 -0.99 0.00 9.65 -0.61 -0.32 114.38 121.29 2kc5 h ARG 132 Ca -0.00 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.95 2kc5 h ARG 132 Cb 0.74 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.25 2kc5 h ARG 132 CO 0.00 0.01 0.64 0.00 2.80 0.00 0.00 179.97 183.42 2kc5 h MET 133 N 0.01 1.08 0.00 0.20 -0.00 -0.91 0.15 114.93 115.47 2kc5 h MET 133 Ca 0.20 -0.07 -0.06 0.00 -0.00 0.00 0.00 59.70 59.77 2kc5 h MET 133 Cb 0.30 -0.24 -0.01 0.00 -0.00 0.00 0.00 31.60 31.65 2kc5 h MET 133 CO -0.42 0.72 -0.52 -0.84 -0.00 0.00 0.00 176.91 175.85 2kc5 h ILE 134 N 1.11 0.39 0.00 -0.10 3.07 -1.34 -2.77 117.51 117.87 2kc5 h ILE 134 Ca 0.44 -1.59 -0.07 0.00 1.55 0.00 0.00 64.86 65.19 2kc5 h ILE 134 Cb 0.24 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 2kc5 h ILE 134 CO -0.19 0.22 -0.36 -0.07 -1.05 0.00 0.00 178.15 176.71 2kc5 h LEU 135 N 0.00 0.00 0.82 0.16 3.38 -0.37 -2.99 115.31 116.31 2kc5 h LEU 135 Ca -0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 2kc5 h LEU 135 Cb 1.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 2kc5 h LEU 135 CO 0.03 0.36 -0.24 -1.20 0.09 0.00 0.00 178.44 177.47 2kc5 n SER 136 N -3.38 -4.28 -3.74 -0.43 7.64 0.47 -4.70 113.62 105.20 2kc5 n SER 136 Ca 0.01 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 2kc5 n SER 136 Cb 0.55 -3.65 -0.10 0.00 -1.01 0.00 0.00 64.21 60.00 2kc5 n SER 136 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kc5 s LEU 137 N -3.38 0.49 -0.02 -3.43 1.43 -1.26 -5.06 118.68 107.45 2kc5 s LEU 137 Ca 0.00 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 2kc5 s LEU 137 Cb 0.00 1.37 -0.05 0.00 0.03 0.00 0.00 46.19 47.54 2kc5 s LEU 137 CO 0.00 -0.16 1.36 -2.16 0.23 0.00 0.00 176.35 175.62 2kc5 s PRO 138 N 0.11 4.29 -0.11 1.29 0.04 -1.26 -4.95 135.00 134.41 2kc5 s PRO 138 Ca -0.01 1.90 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 2kc5 s PRO 138 Cb -0.03 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.97 2kc5 s PRO 138 CO 0.01 -0.56 0.47 0.54 0.04 0.00 0.00 177.00 177.50 2kc5 s VAL 139 N 2.44 0.02 0.21 -0.36 0.11 -1.26 -5.16 120.40 116.39 2kc5 s VAL 139 Ca 0.62 -0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.35 2kc5 s VAL 139 Cb -0.30 -0.71 -0.08 0.00 -1.53 0.00 0.00 36.38 33.76 2kc5 s VAL 139 CO 0.25 -0.07 0.69 -0.89 -3.33 0.00 0.00 175.10 171.75 2kc5 s THR 140 N -0.44 4.62 -0.24 5.04 2.01 -1.26 -5.02 115.64 120.35 2kc5 s THR 140 Ca -0.06 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.09 2kc5 s THR 140 Cb -0.03 -3.82 0.09 0.00 0.01 0.00 0.00 72.50 68.74 2kc5 s THR 140 CO 0.03 0.19 0.14 0.21 -0.69 0.00 0.00 174.62 174.50 2kc5 s ASN 141 N -1.70 2.71 0.31 3.53 2.47 -1.26 -4.85 114.94 116.15 2kc5 s ASN 141 Ca 0.43 -0.88 -0.30 0.00 0.42 0.00 0.00 52.86 52.53 2kc5 s ASN 141 Cb -0.16 -0.16 -0.11 0.00 -1.45 0.00 0.00 41.25 39.37 2kc5 s ASN 141 CO 0.20 -0.39 1.58 -2.84 -3.72 0.00 0.00 177.10 171.93 2kc5 s PRO 142 N 2.16 4.11 0.26 0.43 0.02 -1.26 -4.93 135.00 135.79 2kc5 s PRO 142 Ca 0.06 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 2kc5 s PRO 142 Cb -0.16 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.26 2kc5 s PRO 142 CO -0.23 -0.62 0.98 0.34 -0.33 0.00 0.00 177.00 177.13 2kc5 s ASP 143 N 0.38 7.52 0.00 2.53 2.15 -1.26 -5.03 116.67 122.96 2kc5 s ASP 143 Ca 0.61 2.03 -0.03 0.00 0.43 0.00 0.00 52.55 55.59 2kc5 s ASP 143 Cb -0.48 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.52 2kc5 s ASP 143 CO 0.51 0.06 0.04 -0.69 -0.17 0.00 0.00 175.17 174.93 2kc5 s VAL 144 N -1.21 0.07 0.53 1.11 1.01 -1.26 -5.15 120.40 115.50 2kc5 s VAL 144 Ca 0.43 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 2kc5 s VAL 144 Cb -0.27 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.79 2kc5 s VAL 144 CO 0.34 -0.30 1.00 -2.65 0.00 0.00 0.00 175.10 173.49 2kc5 n PRO 145 N 2.06 1.15 -2.14 2.72 -0.02 -1.26 -4.90 135.00 132.61 2kc5 n PRO 145 Ca -0.20 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2kc5 n PRO 145 Cb 0.57 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2kc5 n PRO 145 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2kc5 s HIS 146 N -1.42 2.73 0.58 6.00 3.76 -1.26 -4.98 115.29 120.71 2kc5 s HIS 146 Ca 0.70 0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 56.15 2kc5 s HIS 146 Cb -0.47 -3.75 -0.05 0.00 1.11 0.00 0.00 32.58 29.43 2kc5 s HIS 146 CO 0.51 -2.85 1.02 0.00 -0.85 0.00 0.00 174.74 172.58 2kc5 s ALA 147 N 2.48 2.98 -0.88 -1.40 0.00 -1.26 -4.22 121.76 119.46 2kc5 s ALA 147 Ca 0.67 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2kc5 s ALA 147 Cb -0.34 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kc5 s ALA 147 CO 0.28 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2kc5 n GLY 148 N -1.92 1.00 3.76 0.00 0.00 -1.26 -4.98 105.19 101.79 2kc5 n GLY 148 Ca 0.07 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 2kc5 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kc5 s ARG 149 N -2.53 3.26 0.64 1.61 0.52 -1.26 -5.00 118.95 116.19 2kc5 s ARG 149 Ca 0.00 1.98 -0.16 0.00 -0.52 0.00 0.00 55.73 57.03 2kc5 s ARG 149 Cb 0.00 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 2kc5 s ARG 149 CO 0.00 -1.01 1.13 1.03 0.02 0.00 0.00 175.30 176.46 2kc5 s ARG 150 N -2.97 2.85 0.00 3.54 0.52 -1.26 -4.95 118.95 116.68 2kc5 s ARG 150 Ca 0.71 1.48 0.29 0.00 -0.52 0.00 0.00 55.73 57.69 2kc5 s ARG 150 Cb -0.34 -1.95 1.34 0.00 0.52 0.00 0.00 34.95 34.52 2kc5 s ARG 150 CO 0.40 -1.22 1.97 0.00 0.02 0.00 0.00 175.30 176.46 2kc5 n ALA 151 N -2.21 2.44 -2.32 2.13 0.00 -1.26 -4.87 120.51 114.43 2kc5 n ALA 151 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2kc5 n ALA 151 Cb 0.52 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 2kc5 n ALA 151 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kc5 s LEU 152 N -2.80 1.98 0.30 0.00 2.34 -1.26 -5.18 118.68 114.05 2kc5 s LEU 152 Ca 0.21 -0.83 0.08 0.00 0.06 0.00 0.00 54.13 53.64 2kc5 s LEU 152 Cb 0.20 0.60 -0.03 0.00 -0.56 0.00 0.00 46.19 46.39 2kc5 s LEU 152 CO 0.50 -0.66 0.22 -0.76 -1.06 0.00 0.00 176.35 174.59 2kc5 s LEU 153 N -2.88 3.62 0.10 1.48 1.43 -1.26 -5.15 118.68 116.02 2kc5 s LEU 153 Ca 0.06 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2kc5 s LEU 153 Cb 0.06 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2kc5 s LEU 153 CO -0.10 -0.20 -0.24 -0.36 0.23 0.00 0.00 176.35 175.68 2kc5 s PHE 154 N -2.25 2.07 0.46 0.29 0.08 -1.26 -5.15 117.98 112.22 2kc5 s PHE 154 Ca 0.37 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.07 2kc5 s PHE 154 Cb -0.06 -1.15 0.08 0.00 -0.57 0.00 0.00 43.02 41.32 2kc5 s PHE 154 CO 0.25 0.24 0.63 0.41 -0.10 0.00 0.00 175.22 176.65 2kc5 n GLY 155 N 1.19 1.57 0.23 4.36 0.00 -1.26 -5.00 105.19 106.29 2kc5 n GLY 155 Ca -0.18 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 43.69 2kc5 n GLY 155 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kc5 h ARG 156 N 0.00 0.32 0.00 1.61 9.65 -2.07 -2.89 114.38 121.00 2kc5 h ARG 156 Ca -0.21 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 2kc5 h ARG 156 Cb 0.91 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2kc5 h ARG 156 CO 0.28 0.53 0.00 0.07 2.80 0.00 0.00 179.97 183.64 2kc5 h ARG 157 N 0.30 0.00 -7.17 0.20 0.11 -2.05 -3.45 114.38 102.31 2kc5 h ARG 157 Ca 0.05 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.62 2kc5 h ARG 157 Cb 0.54 0.00 0.11 0.00 1.11 0.00 0.00 29.97 31.73 2kc5 h ARG 157 CO 0.04 0.00 0.39 -1.12 0.10 0.00 0.00 179.97 179.38 2kc5 s SER 158 N -5.82 4.98 -0.13 0.08 0.01 -1.09 -5.05 113.70 106.67 2kc5 s SER 158 Ca 0.04 2.14 -0.34 0.00 1.31 0.00 0.00 55.95 59.10 2kc5 s SER 158 Cb 0.07 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.88 2kc5 s SER 158 CO 0.59 -1.72 1.37 -0.83 0.41 0.00 0.00 173.24 173.06 2kc5 s GLY 159 N -2.26 -0.39 0.06 3.44 0.00 -1.26 -4.93 107.32 101.98 2kc5 s GLY 159 Ca 0.70 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.62 2kc5 s GLY 159 CO 0.40 0.31 -0.04 -0.54 0.00 0.00 0.00 173.10 173.23 2kc5 s GLU 160 N -2.16 0.65 0.35 2.90 0.41 -1.26 -5.15 118.70 114.43 2kc5 s GLU 160 Ca 0.13 -1.18 -0.26 0.00 -0.41 0.00 0.00 54.97 53.25 2kc5 s GLU 160 Cb 0.04 0.06 -0.09 0.00 -1.78 0.00 0.00 34.13 32.36 2kc5 s GLU 160 CO -0.05 -0.07 1.07 1.21 -0.49 0.00 0.00 175.26 176.93 2kc5 s ASN 161 N -2.78 6.95 0.00 -0.19 2.47 -1.26 -5.34 114.94 114.79 2kc5 s ASN 161 Ca 0.06 2.13 0.00 0.00 0.42 0.00 0.00 52.86 55.46 2kc5 s ASN 161 Cb 0.05 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 2kc5 s ASN 161 CO -0.07 -0.36 0.00 0.00 -3.72 0.00 0.00 177.10 172.94