#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 1.70 -3.68 2.03 1.35 -2.04 -3.45 112.91 108.82 2kc5 h THR 2 Ca 0.00 -3.41 -0.52 0.00 -0.55 0.00 0.00 66.41 61.92 2kc5 h THR 2 Cb 0.00 2.84 0.06 0.00 -1.73 0.00 0.00 68.15 69.32 2kc5 h THR 2 CO 0.00 0.97 0.68 -0.70 -0.25 0.00 0.00 175.52 176.22 2kc5 s GLU 3 N -2.71 4.32 -0.42 4.72 2.12 -1.26 -4.32 118.70 121.15 2kc5 s GLU 3 Ca 0.01 2.24 -0.29 0.00 0.36 0.00 0.00 54.97 57.29 2kc5 s GLU 3 Cb 0.10 -3.09 0.04 0.00 0.26 0.00 0.00 34.13 31.44 2kc5 s GLU 3 CO 0.82 -0.28 0.60 0.39 -0.54 0.00 0.00 175.26 176.25 2kc5 n GLU 4 N 1.43 -2.03 -2.32 4.30 1.02 -1.26 -4.93 120.64 116.85 2kc5 n GLU 4 Ca 0.03 1.65 -0.41 0.00 -0.02 0.00 0.00 57.16 58.41 2kc5 n GLU 4 Cb 0.41 -3.19 -0.03 0.00 -0.02 0.00 0.00 31.44 28.61 2kc5 n GLU 4 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kc5 s ILE 5 N -1.80 3.24 0.18 -3.67 -1.09 -0.57 -4.77 121.20 112.73 2kc5 s ILE 5 Ca 0.32 1.17 -0.31 0.00 -2.23 0.00 0.00 60.65 59.60 2kc5 s ILE 5 Cb -0.05 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 2kc5 s ILE 5 CO 0.80 0.25 1.42 0.00 -1.23 0.00 0.00 174.94 176.17 2kc5 s ALA 6 N -0.77 3.62 0.52 9.38 0.00 -1.26 -0.36 121.76 132.89 2kc5 s ALA 6 Ca 0.49 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 53.44 2kc5 s ALA 6 Cb -0.35 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 2kc5 s ALA 6 CO 0.43 -0.66 1.34 0.20 0.00 0.00 0.00 175.76 177.07 2kc5 s GLY 7 N 0.75 2.88 0.16 0.00 0.00 -0.08 -4.81 107.32 106.21 2kc5 s GLY 7 Ca 0.62 1.29 -0.11 0.00 0.00 0.00 0.00 44.72 46.53 2kc5 s GLY 7 CO 0.35 1.82 0.50 -1.36 0.00 0.00 0.00 173.10 174.41 2kc5 s PHE 8 N -1.32 3.53 0.22 1.90 0.40 -0.68 -4.62 117.98 117.40 2kc5 s PHE 8 Ca 0.68 0.89 0.11 0.00 -0.60 0.00 0.00 56.93 58.01 2kc5 s PHE 8 Cb -0.39 -2.25 0.27 0.00 0.51 0.00 0.00 43.02 41.16 2kc5 s PHE 8 CO 0.47 0.40 1.55 1.96 0.70 0.00 0.00 175.22 180.30 2kc5 h GLN 9 N 3.20 0.00 -3.35 0.44 7.50 -1.86 -3.02 115.11 118.02 2kc5 h GLN 9 Ca -0.48 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.64 2kc5 h GLN 9 Cb 1.18 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.61 2kc5 h GLN 9 CO 0.68 0.67 -0.01 0.95 -1.50 0.00 0.00 178.83 179.62 2kc5 s THR 10 N -3.41 0.03 0.17 -0.54 -4.23 -1.26 -4.83 115.64 101.57 2kc5 s THR 10 Ca -0.01 -0.78 -0.32 0.00 -1.18 0.00 0.00 61.69 59.40 2kc5 s THR 10 Cb 0.12 -1.53 -0.16 0.00 1.34 0.00 0.00 72.50 72.26 2kc5 s THR 10 CO 0.77 -0.15 1.00 -1.20 -0.54 0.00 0.00 174.62 174.49 2kc5 n SER 11 N -0.32 0.64 -2.36 3.99 7.64 -1.26 -4.85 113.62 117.10 2kc5 n SER 11 Ca -0.11 1.15 -0.16 0.00 1.01 0.00 0.00 58.87 60.76 2kc5 n SER 11 Cb 0.63 -1.13 -0.12 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.42 2.06 -0.10 1.43 -0.04 -1.26 -4.72 135.00 133.80 2kc5 n PRO 12 Ca 0.15 -1.12 -0.06 0.00 -0.04 0.00 0.00 63.50 62.44 2kc5 n PRO 12 Cb 0.24 -2.11 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 2kc5 n PRO 12 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kc5 h LYS 13 N 3.92 0.03 -0.62 0.54 3.64 -1.95 -0.46 116.57 121.66 2kc5 h LYS 13 Ca 0.30 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2kc5 h LYS 13 Cb 1.04 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2kc5 h LYS 13 CO 0.61 0.02 0.15 0.00 -2.27 0.00 0.00 179.45 177.96 2kc5 h ALA 14 N 1.33 0.82 -0.24 5.00 0.00 -1.95 -0.34 119.26 123.88 2kc5 h ALA 14 Ca 0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2kc5 h ALA 14 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kc5 h ALA 14 CO -0.33 0.53 -0.48 1.96 0.00 0.00 0.00 179.25 180.93 2kc5 h GLN 15 N 0.91 0.74 -0.35 0.00 4.20 -1.75 0.48 115.11 119.35 2kc5 h GLN 15 Ca 0.20 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 2kc5 h GLN 15 Cb 0.36 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2kc5 h GLN 15 CO 0.00 1.11 0.17 0.28 -0.67 0.00 0.00 178.83 179.72 2kc5 h VAL 16 N 0.47 1.16 0.24 -0.54 2.07 -1.06 -2.02 116.25 116.57 2kc5 h VAL 16 Ca 0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2kc5 h VAL 16 Cb 1.09 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2kc5 h VAL 16 CO 0.11 0.17 -0.16 -0.61 0.02 0.00 0.00 177.57 177.09 2kc5 h GLN 17 N 0.43 -0.39 -0.54 1.57 4.15 -0.72 -0.59 115.11 119.01 2kc5 h GLN 17 Ca 0.12 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 2kc5 h GLN 17 Cb 0.11 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2kc5 h GLN 17 CO -0.02 -0.26 0.14 0.00 -1.93 0.00 0.00 178.83 176.76 2kc5 h ALA 18 N 0.33 0.72 -0.30 3.38 0.00 -0.89 0.17 119.26 122.67 2kc5 h ALA 18 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2kc5 h ALA 18 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kc5 h ALA 18 CO 0.01 0.41 0.12 0.00 0.00 0.00 0.00 179.25 179.79 2kc5 h ALA 19 N 1.02 0.39 0.00 0.00 0.00 -1.26 -2.48 119.26 116.92 2kc5 h ALA 19 Ca 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kc5 h ALA 19 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kc5 h ALA 19 CO 0.00 -0.01 -0.30 0.74 0.00 0.00 0.00 179.25 179.68 2kc5 h PHE 20 N 0.34 0.00 -0.35 0.00 0.04 -0.81 -0.10 116.94 116.06 2kc5 h PHE 20 Ca 0.10 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 2kc5 h PHE 20 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2kc5 h PHE 20 CO -0.01 0.30 0.07 1.49 -0.60 0.00 0.00 178.31 179.56 2kc5 h GLU 21 N 0.00 0.52 0.07 1.51 4.81 -0.33 0.12 114.58 121.29 2kc5 h GLU 21 Ca -0.00 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 2kc5 h GLU 21 Cb 0.79 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.09 2kc5 h GLU 21 CO 0.04 0.50 -0.45 1.49 -0.73 0.00 0.00 179.01 179.86 2kc5 h GLU 22 N 0.51 0.17 -1.01 1.92 4.57 -0.91 -3.03 114.58 116.81 2kc5 h GLU 22 Ca 0.12 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2kc5 h GLU 22 Cb 0.22 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2kc5 h GLU 22 CO -0.00 1.12 0.67 0.82 -1.18 0.00 0.00 179.01 180.44 2kc5 h ILE 23 N -0.63 1.25 -0.52 2.32 2.04 -0.94 0.33 117.51 121.37 2kc5 h ILE 23 Ca -0.08 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 2kc5 h ILE 23 Cb 1.34 -0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2kc5 h ILE 23 CO 0.08 0.25 0.18 0.00 0.00 0.00 0.00 178.15 178.66 2kc5 h ALA 24 N 1.37 1.33 -0.09 1.87 0.00 -0.85 0.43 119.26 123.32 2kc5 h ALA 24 Ca 0.37 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 2kc5 h ALA 24 Cb -0.15 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2kc5 h ALA 24 CO -0.08 0.49 -0.84 -0.09 0.00 0.00 0.00 179.25 178.72 2kc5 h ARG 25 N 0.76 0.74 -0.95 0.00 2.43 -1.04 -0.54 114.38 115.79 2kc5 h ARG 25 Ca 0.18 -0.67 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2kc5 h ARG 25 Cb 0.20 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 2kc5 h ARG 25 CO -0.01 1.27 0.62 0.00 -1.51 0.00 0.00 179.97 180.34 2kc5 h ARG 26 N 0.44 1.22 0.06 0.20 -0.00 -0.80 -3.30 114.38 112.20 2kc5 h ARG 26 Ca -0.08 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.98 59.16 2kc5 h ARG 26 Cb 1.49 -0.27 0.02 0.00 0.00 0.00 0.00 29.97 31.20 2kc5 h ARG 26 CO 0.17 0.81 -0.70 0.77 0.00 0.00 0.00 179.97 181.01 2kc5 h SER 27 N 1.25 0.52 -3.94 7.04 0.02 -0.67 -3.46 113.55 114.31 2kc5 h SER 27 Ca 0.36 -0.84 -0.46 0.00 -0.84 0.00 0.00 61.79 60.01 2kc5 h SER 27 Cb -0.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2kc5 h SER 27 CO -0.09 1.30 0.35 -0.32 -1.14 0.00 0.00 176.83 176.92 2kc5 s MET 28 N -2.90 4.46 0.37 3.45 -2.45 -0.23 -5.08 119.30 116.91 2kc5 s MET 28 Ca -0.13 1.27 0.08 0.00 -1.25 0.00 0.00 55.69 55.66 2kc5 s MET 28 Cb 0.03 -2.59 -0.06 0.00 1.25 0.00 0.00 34.83 33.45 2kc5 s MET 28 CO 0.83 0.17 0.04 -1.01 1.05 0.00 0.00 175.02 176.09 2kc5 s HIS 29 N -1.80 2.54 -1.49 4.11 0.09 -1.26 -4.61 115.29 112.86 2kc5 s HIS 29 Ca 0.54 -0.52 -0.06 0.00 -0.00 0.00 0.00 55.06 55.02 2kc5 s HIS 29 Cb -0.16 -1.64 0.02 0.00 -0.00 0.00 0.00 32.58 30.81 2kc5 s HIS 29 CO 0.20 0.42 0.56 -3.47 -0.00 0.00 0.00 174.74 172.45 2kc5 n ASP 30 N -1.00 -5.54 -2.22 1.40 2.03 -1.26 -4.91 116.55 105.05 2kc5 n ASP 30 Ca -0.04 -0.30 -0.29 0.00 0.52 0.00 0.00 54.79 54.68 2kc5 n ASP 30 Cb 0.64 -4.50 0.04 0.00 -0.72 0.00 0.00 41.12 36.58 2kc5 n ASP 30 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2kc5 n LEU 31 N -3.93 6.16 0.19 -2.67 7.94 -1.26 -4.81 117.00 118.61 2kc5 n LEU 31 Ca -0.09 -4.60 0.12 0.00 -1.11 0.00 0.00 56.01 50.33 2kc5 n LEU 31 Cb 0.60 -0.64 0.64 0.00 0.53 0.00 0.00 43.42 44.56 2kc5 n LEU 31 CO 0.47 1.85 0.87 0.28 -1.11 0.00 0.00 177.39 179.75 2kc5 h SER 32 N 2.17 0.00 0.67 1.96 0.02 -1.94 0.81 113.55 117.24 2kc5 h SER 32 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2kc5 h SER 32 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2kc5 h SER 32 CO 1.13 0.00 0.00 0.33 -1.14 0.00 0.00 176.83 177.15 2kc5 n PHE 33 N -2.34 0.79 -2.20 3.45 7.35 -1.26 -4.92 117.46 118.33 2kc5 n PHE 33 Ca -0.02 0.32 -0.16 0.00 -0.76 0.00 0.00 57.45 56.83 2kc5 n PHE 33 Cb 0.07 -1.01 -0.02 0.00 0.35 0.00 0.00 39.48 38.87 2kc5 n PHE 33 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2kc5 n LEU 34 N -2.23 -1.42 -3.88 -2.13 4.77 0.28 -4.98 117.00 107.41 2kc5 n LEU 34 Ca 0.02 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2kc5 n LEU 34 Cb 0.21 -2.46 -0.11 0.00 -2.33 0.00 0.00 43.42 38.73 2kc5 n LEU 34 CO 0.19 -0.33 -0.25 -2.28 -1.33 0.00 0.00 177.39 173.39 2kc5 s HIS 35 N -2.70 0.03 0.40 -1.77 2.46 -1.26 -5.08 115.29 107.37 2kc5 s HIS 35 Ca 0.00 -0.07 -0.25 0.00 0.47 0.00 0.00 55.06 55.21 2kc5 s HIS 35 Cb 0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 32.58 32.29 2kc5 s HIS 35 CO 0.00 -0.17 1.05 -2.30 -2.47 0.00 0.00 174.74 170.85 2kc5 n PRO 36 N 2.13 1.45 0.22 2.88 -0.02 -1.26 -4.92 135.00 135.47 2kc5 n PRO 36 Ca -0.19 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2kc5 n PRO 36 Cb 0.57 -2.06 0.20 0.00 -0.02 0.00 0.00 33.50 32.18 2kc5 n PRO 36 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kc5 h SER 37 N 1.71 0.00 -4.97 2.55 4.64 -1.99 -3.45 113.55 112.05 2kc5 h SER 37 Ca -0.44 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.71 2kc5 h SER 37 Cb 1.33 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.27 2kc5 h SER 37 CO 0.58 0.00 -0.69 -0.04 -0.87 0.00 0.00 176.83 175.81 2kc5 s MET 38 N -3.22 0.70 0.38 4.77 -1.94 -1.26 -5.00 119.30 113.73 2kc5 s MET 38 Ca 0.07 -1.25 -0.26 0.00 -1.71 0.00 0.00 55.69 52.54 2kc5 s MET 38 Cb 0.05 0.03 -0.09 0.00 2.01 0.00 0.00 34.83 36.84 2kc5 s MET 38 CO 0.66 -0.07 1.20 -1.25 -0.01 0.00 0.00 175.02 175.55 2kc5 s PRO 39 N -3.82 4.13 -0.43 2.03 0.04 -1.26 -4.18 135.00 131.51 2kc5 s PRO 39 Ca 0.08 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 2kc5 s PRO 39 Cb 0.06 -2.78 0.07 0.00 0.04 0.00 0.00 34.50 31.89 2kc5 s PRO 39 CO -0.08 -0.28 0.29 0.08 0.04 0.00 0.00 177.00 177.05 2kc5 s VAL 40 N -1.33 4.56 0.04 -0.36 1.01 -1.26 -3.54 120.40 119.52 2kc5 s VAL 40 Ca 0.55 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2kc5 s VAL 40 Cb -0.33 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2kc5 s VAL 40 CO 0.42 -0.48 0.05 -0.47 0.00 0.00 0.00 175.10 174.62 2kc5 s TYR 41 N 1.51 0.30 -0.09 5.22 5.04 -0.59 -4.89 117.35 123.84 2kc5 s TYR 41 Ca 0.03 -0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2kc5 s TYR 41 Cb -0.23 -0.22 0.04 0.00 0.35 0.00 0.00 41.96 41.90 2kc5 s TYR 41 CO 0.04 -0.37 0.04 0.08 -1.34 0.00 0.00 175.55 174.00 2kc5 s VAL 42 N -2.99 0.18 0.45 3.14 1.01 -1.26 -0.83 120.40 120.10 2kc5 s VAL 42 Ca -0.02 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 2kc5 s VAL 42 Cb 0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 2kc5 s VAL 42 CO -0.06 0.10 0.98 -0.94 0.00 0.00 0.00 175.10 175.17 2kc5 s SER 43 N 2.04 6.73 -0.06 3.32 1.04 0.11 -4.93 113.70 121.95 2kc5 s SER 43 Ca 0.04 1.77 0.03 0.00 0.48 0.00 0.00 55.95 58.27 2kc5 s SER 43 Cb -0.13 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.45 2kc5 s SER 43 CO -0.05 -0.51 -0.14 -0.62 0.98 0.00 0.00 173.24 172.90 2kc5 s ASP 44 N -2.12 1.88 -0.15 7.02 2.15 -1.26 -2.46 116.67 121.72 2kc5 s ASP 44 Ca 0.64 -0.31 -0.30 0.00 0.43 0.00 0.00 52.55 53.00 2kc5 s ASP 44 Cb -0.12 -0.74 0.13 0.00 -0.30 0.00 0.00 42.92 41.89 2kc5 s ASP 44 CO 0.16 0.07 0.99 0.72 -0.17 0.00 0.00 175.17 176.94 2kc5 s PHE 45 N 0.44 -0.37 0.50 -5.34 -0.71 -0.54 -4.97 117.98 106.99 2kc5 s PHE 45 Ca -0.11 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.39 2kc5 s PHE 45 Cb -0.14 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 2kc5 s PHE 45 CO 0.03 -0.35 0.00 2.41 -1.34 0.00 0.00 175.22 175.97 2kc5 n THR 46 N 0.67 -1.20 -3.87 -4.49 -1.04 -1.26 -1.80 114.28 101.30 2kc5 n THR 46 Ca -0.10 0.89 -0.36 0.00 -2.04 0.00 0.00 64.05 62.44 2kc5 n THR 46 Cb 0.58 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 67.57 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 -6.40 3.37 0.00 -4.42 0.20 -1.26 -1.31 118.68 108.86 2kc5 s LEU 47 Ca 0.00 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.12 2kc5 s LEU 47 Cb 0.00 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 43.99 2kc5 s LEU 47 CO 0.00 -0.13 -0.01 0.12 -0.29 0.00 0.00 176.35 176.04 2kc5 s PHE 48 N 1.43 0.11 -1.36 5.38 5.36 0.41 -4.79 117.98 124.52 2kc5 s PHE 48 Ca 0.02 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2kc5 s PHE 48 Cb -0.16 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.44 2kc5 s PHE 48 CO -0.02 -0.03 0.00 0.39 -1.46 0.00 0.00 175.22 174.10 2kc5 n GLU 49 N 2.79 -1.81 -0.96 10.12 -0.58 -1.26 -0.71 120.64 128.23 2kc5 n GLU 49 Ca -0.14 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 2kc5 n GLU 49 Cb 0.59 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 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 -0.65 0.61 3.60 0.62 0.00 -1.26 -5.02 105.19 103.08 2kc5 n GLY 50 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2kc5 n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kc5 s GLN 51 N -0.26 1.96 0.30 1.61 -1.52 0.11 -3.93 119.66 117.94 2kc5 s GLN 51 Ca 0.00 -1.89 -0.16 0.00 -1.95 0.00 0.00 55.36 51.36 2kc5 s GLN 51 Cb 0.00 -1.80 -0.09 0.00 -0.22 0.00 0.00 33.01 30.91 2kc5 s GLN 51 CO 0.00 0.10 0.74 -1.58 -0.25 0.00 0.00 175.29 174.30 2kc5 s TRP 52 N -2.59 3.43 0.22 0.91 0.52 -0.45 -0.44 118.94 120.54 2kc5 s TRP 52 Ca 0.34 1.27 0.08 0.00 0.02 0.00 0.00 56.10 57.81 2kc5 s TRP 52 Cb 0.03 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 2kc5 s TRP 52 CO 0.18 0.14 0.05 0.99 0.02 0.00 0.00 176.95 178.33 2kc5 s THR 53 N -1.89 3.83 0.10 2.01 2.01 -0.43 -1.40 115.64 119.87 2kc5 s THR 53 Ca 0.52 -1.55 -0.26 0.00 0.31 0.00 0.00 61.69 60.71 2kc5 s THR 53 Cb -0.12 -3.00 0.09 0.00 0.01 0.00 0.00 72.50 69.48 2kc5 s THR 53 CO 0.18 -0.24 1.13 -0.83 -0.69 0.00 0.00 174.62 174.17 2kc5 s GLY 54 N -3.37 -0.10 0.03 4.40 0.00 0.22 -1.47 107.32 107.03 2kc5 s GLY 54 Ca 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 2kc5 s GLY 54 CO 0.21 2.27 -0.03 0.00 0.00 0.00 0.00 173.10 175.55 2kc5 s VAL 56 N -2.64 1.63 0.11 0.00 0.11 0.42 -0.72 120.40 119.32 2kc5 s VAL 56 Ca -0.05 -1.15 0.08 0.00 -2.93 0.00 0.00 61.98 57.93 2kc5 s VAL 56 Cb -0.01 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2kc5 s VAL 56 CO -0.05 0.22 -0.21 -0.51 -3.33 0.00 0.00 175.10 171.22 2kc5 s ILE 57 N -0.77 1.78 0.31 7.04 2.07 -0.01 -0.78 121.20 130.84 2kc5 s ILE 57 Ca 0.07 -1.62 0.03 0.00 -1.41 0.00 0.00 60.65 57.72 2kc5 s ILE 57 Cb -0.09 -1.64 -0.02 0.00 0.13 0.00 0.00 42.46 40.84 2kc5 s ILE 57 CO 0.01 -0.09 0.31 0.42 -1.91 0.00 0.00 174.94 173.69 2kc5 s THR 58 N -1.29 0.00 -0.41 4.00 -4.23 0.15 -1.55 115.64 112.32 2kc5 s THR 58 Ca 0.08 -1.87 0.21 0.00 -1.18 0.00 0.00 61.69 58.93 2kc5 s THR 58 Cb -0.09 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 71.44 2kc5 s THR 58 CO 0.05 0.00 1.65 -0.81 -0.54 0.00 0.00 174.62 174.96 2kc5 n PRO 59 N -0.54 0.15 -0.02 3.99 -0.04 -1.26 -3.57 135.00 133.72 2kc5 n PRO 59 Ca 0.05 0.51 0.04 0.00 -0.04 0.00 0.00 63.50 64.06 2kc5 n PRO 59 Cb 0.63 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 2kc5 n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2kc5 n TRP 60 N -2.18 0.00 -3.70 0.54 4.27 -1.26 -4.66 117.44 110.45 2kc5 n TRP 60 Ca 0.01 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.52 2kc5 n TRP 60 Cb 0.13 -0.34 -0.03 0.00 -1.36 0.00 0.00 31.31 29.71 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 -2.76 1.46 -0.06 -2.67 0.23 -1.23 -4.52 119.30 109.75 2kc5 s MET 61 Ca -0.05 -0.81 -0.00 0.00 -1.03 0.00 0.00 55.69 53.80 2kc5 s MET 61 Cb 0.07 0.56 0.03 0.00 -1.53 0.00 0.00 34.83 33.95 2kc5 s MET 61 CO 0.51 -0.64 -0.02 -1.17 -2.03 0.00 0.00 175.02 171.67 2kc5 s LEU 62 N -2.86 0.94 -0.04 0.18 0.20 0.03 -0.67 118.68 116.46 2kc5 s LEU 62 Ca 0.08 -0.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.76 2kc5 s LEU 62 Cb -0.02 -0.47 0.02 0.00 -0.43 0.00 0.00 46.19 45.29 2kc5 s LEU 62 CO -0.03 -0.13 0.09 -0.44 -0.29 0.00 0.00 176.35 175.55 2kc5 s SER 63 N 1.52 -0.06 0.42 3.68 0.01 0.04 -0.61 113.70 118.70 2kc5 s SER 63 Ca -0.02 0.18 -0.25 0.00 1.31 0.00 0.00 55.95 57.17 2kc5 s SER 63 Cb -0.13 0.12 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 2kc5 s SER 63 CO -0.03 -0.09 1.29 0.00 0.41 0.00 0.00 173.24 174.82 2kc5 s ALA 64 N 0.65 3.20 0.01 1.44 0.00 0.27 -0.44 121.76 126.89 2kc5 s ALA 64 Ca -0.05 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 2kc5 s ALA 64 Cb -0.07 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2kc5 s ALA 64 CO -0.03 -0.85 -0.01 0.14 0.00 0.00 0.00 175.76 175.01 2kc5 s VAL 65 N -1.29 0.06 -0.01 0.00 -7.23 -0.27 -0.74 120.40 110.92 2kc5 s VAL 65 Ca 0.59 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2kc5 s VAL 65 Cb -0.37 -0.16 0.02 0.00 0.56 0.00 0.00 36.38 36.43 2kc5 s VAL 65 CO 0.47 -0.29 0.02 -0.63 -0.31 0.00 0.00 175.10 174.36 2kc5 s ILE 66 N -0.84 -0.02 0.17 -0.62 1.01 0.46 -0.61 121.20 120.74 2kc5 s ILE 66 Ca -0.09 0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.80 2kc5 s ILE 66 Cb -0.06 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 2kc5 s ILE 66 CO -0.01 0.07 -0.22 -0.36 0.00 0.00 0.00 174.94 174.42 2kc5 s PHE 67 N 0.74 2.10 -0.30 3.97 0.08 -0.49 -1.01 117.98 123.07 2kc5 s PHE 67 Ca -0.06 -0.40 -0.40 0.00 0.12 0.00 0.00 56.93 56.19 2kc5 s PHE 67 Cb -0.09 -1.05 -0.15 0.00 -0.57 0.00 0.00 43.02 41.15 2kc5 s PHE 67 CO -0.02 0.41 1.80 -2.30 -0.10 0.00 0.00 175.22 175.01 2kc5 n PRO 68 N 0.37 1.11 -1.04 0.24 -0.02 -1.26 -1.35 135.00 133.05 2kc5 n PRO 68 Ca -0.13 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 2kc5 n PRO 68 Cb 0.56 -2.11 0.25 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.96 1.58 0.66 -1.23 0.00 -1.25 -1.69 107.32 109.34 2kc5 s GLY 69 Ca 1.00 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.58 2kc5 s GLY 69 CO 0.65 -0.10 1.05 2.56 0.00 0.00 0.00 173.10 177.25 2kc5 s PRO 70 N -5.46 3.25 -1.44 2.90 0.04 -1.14 -2.28 135.00 130.87 2kc5 s PRO 70 Ca 0.72 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 2kc5 s PRO 70 Cb -0.08 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2kc5 s PRO 70 CO 0.56 -0.84 0.26 -3.47 0.04 0.00 0.00 177.00 173.55 2kc5 n ASP 71 N -2.94 -0.52 -3.70 6.66 2.03 -1.26 -4.93 116.55 111.89 2kc5 n ASP 71 Ca 0.07 -1.19 -0.10 0.00 0.52 0.00 0.00 54.79 54.08 2kc5 n ASP 71 Cb 0.54 -2.11 -0.05 0.00 -0.72 0.00 0.00 41.12 38.78 2kc5 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kc5 s GLN 72 N -7.09 1.06 -0.36 -0.67 -2.07 -1.26 -5.04 119.66 104.23 2kc5 s GLN 72 Ca 0.10 -0.79 -0.11 0.00 -1.82 0.00 0.00 55.36 52.74 2kc5 s GLN 72 Cb -0.05 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2kc5 s GLN 72 CO 0.96 -0.41 0.20 -0.51 -1.32 0.00 0.00 175.29 174.21 2kc5 s LEU 73 N -2.83 4.55 0.12 2.60 2.01 -1.26 -0.90 118.68 122.97 2kc5 s LEU 73 Ca 0.05 -0.80 -0.31 0.00 0.01 0.00 0.00 54.13 53.07 2kc5 s LEU 73 Cb 0.02 -2.04 -0.08 0.00 0.01 0.00 0.00 46.19 44.11 2kc5 s LEU 73 CO -0.10 -0.32 1.39 0.86 1.01 0.00 0.00 176.35 179.18 2kc5 s TRP 74 N 1.59 3.24 0.52 0.29 -0.00 0.51 -4.83 118.94 120.26 2kc5 s TRP 74 Ca 0.03 0.95 -0.21 0.00 -0.00 0.00 0.00 56.10 56.87 2kc5 s TRP 74 Cb -0.18 -3.68 -0.06 0.00 -0.00 0.00 0.00 33.47 29.54 2kc5 s TRP 74 CO 0.07 -2.39 1.21 -1.25 -0.00 0.00 0.00 176.95 174.59 2kc5 s PRO 75 N 1.07 3.41 -0.05 5.86 0.04 -1.26 -1.51 135.00 142.57 2kc5 s PRO 75 Ca 0.64 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 2kc5 s PRO 75 Cb -0.37 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 2kc5 s PRO 75 CO 0.30 -0.86 1.51 -1.17 0.04 0.00 0.00 177.00 176.83 2kc5 s LEU 76 N -3.43 4.30 0.26 -3.56 2.96 -1.26 -4.82 118.68 113.12 2kc5 s LEU 76 Ca 0.69 2.13 0.09 0.00 -0.22 0.00 0.00 54.13 56.82 2kc5 s LEU 76 Cb -0.31 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 2kc5 s LEU 76 CO 0.36 -0.83 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.43 2kc5 s ARG 77 N 3.35 2.31 0.45 1.98 3.00 -1.26 -5.04 118.95 123.74 2kc5 s ARG 77 Ca 0.67 -1.40 -0.19 0.00 0.00 0.00 0.00 55.73 54.81 2kc5 s ARG 77 Cb -0.31 -2.17 -0.10 0.00 0.00 0.00 0.00 34.95 32.36 2kc5 s ARG 77 CO 0.26 0.37 0.95 0.21 0.00 0.00 0.00 175.30 177.09 2kc5 s LYS 78 N -3.65 4.14 0.10 3.54 2.47 -1.26 -5.06 119.74 120.01 2kc5 s LYS 78 Ca 0.31 1.05 -0.00 0.00 -1.56 0.00 0.00 55.97 55.78 2kc5 s LYS 78 Cb -0.07 -2.18 -0.04 0.00 -1.46 0.00 0.00 37.83 34.09 2kc5 s LYS 78 CO 0.20 -0.09 0.25 0.08 0.16 0.00 0.00 175.35 175.96 2kc5 s VAL 79 N -2.29 5.34 -2.02 4.02 1.01 -1.26 -4.09 120.40 121.10 2kc5 s VAL 79 Ca 0.61 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2kc5 s VAL 79 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2kc5 s VAL 79 CO 0.18 0.06 0.00 -1.20 0.00 0.00 0.00 175.10 174.14 2kc5 n SER 80 N 0.04 -5.71 -4.71 3.32 7.64 -0.12 -4.98 113.62 109.10 2kc5 n SER 80 Ca -0.05 0.27 -0.24 0.00 1.01 0.00 0.00 58.87 59.85 2kc5 n SER 80 Cb 0.52 -4.90 -0.07 0.00 -1.01 0.00 0.00 64.21 58.75 2kc5 n SER 80 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kc5 s GLU 81 N -4.37 2.54 0.05 1.43 2.56 -1.26 -4.91 118.70 114.74 2kc5 s GLU 81 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 54.97 53.84 2kc5 s GLU 81 Cb 0.00 -2.37 -0.04 0.00 2.00 0.00 0.00 34.13 33.72 2kc5 s GLU 81 CO 0.00 0.42 -0.01 0.15 -0.56 0.00 0.00 175.26 175.26 2kc5 s LYS 82 N -3.40 2.62 -0.08 4.30 1.02 -1.26 -0.42 119.74 122.52 2kc5 s LYS 82 Ca 0.30 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2kc5 s LYS 82 Cb -0.08 -2.58 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2kc5 s LYS 82 CO 0.21 0.58 -0.22 0.42 -0.92 0.00 0.00 175.35 175.42 2kc5 s ILE 83 N -1.20 1.83 -0.07 2.17 -1.09 0.18 -4.95 121.20 118.07 2kc5 s ILE 83 Ca 0.23 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 2kc5 s ILE 83 Cb -0.12 -1.58 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 2kc5 s ILE 83 CO 0.14 0.51 1.21 -0.83 -1.23 0.00 0.00 174.94 174.74 2kc5 s GLY 84 N 0.23 2.05 -0.08 6.18 0.00 -1.26 -0.82 107.32 113.61 2kc5 s GLY 84 Ca -0.13 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.21 2kc5 s GLY 84 CO 0.06 2.25 -0.09 1.08 0.00 0.00 0.00 173.10 176.40 2kc5 s LEU 85 N 2.36 3.01 -0.12 0.66 1.43 -0.16 -4.96 118.68 120.91 2kc5 s LEU 85 Ca 0.56 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 2kc5 s LEU 85 Cb -0.24 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2kc5 s LEU 85 CO 0.21 0.31 0.53 -1.58 0.23 0.00 0.00 176.35 176.05 2kc5 s GLN 86 N -0.47 4.35 0.11 1.70 -0.44 -1.26 -1.53 119.66 122.11 2kc5 s GLN 86 Ca 0.07 0.54 -0.17 0.00 -2.50 0.00 0.00 55.36 53.30 2kc5 s GLN 86 Cb -0.12 -3.45 0.04 0.00 -1.64 0.00 0.00 33.01 27.84 2kc5 s GLN 86 CO 0.02 0.11 0.41 -0.48 0.50 0.00 0.00 175.29 175.85 2kc5 s LEU 87 N 0.76 0.36 0.34 3.68 2.34 -1.26 -4.81 118.68 120.08 2kc5 s LEU 87 Ca 0.28 -0.26 0.26 0.00 0.06 0.00 0.00 54.13 54.47 2kc5 s LEU 87 Cb -0.16 1.86 1.16 0.00 -0.56 0.00 0.00 46.19 48.49 2kc5 s LEU 87 CO 0.12 -0.83 1.77 -0.65 -1.06 0.00 0.00 176.35 175.70 2kc5 h PRO 88 N 2.44 0.00 -0.10 1.48 0.11 -1.79 -0.17 132.00 133.97 2kc5 h PRO 88 Ca -0.34 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.80 2kc5 h PRO 88 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kc5 h PRO 88 CO 0.46 0.00 0.10 -0.92 -0.21 0.00 0.00 178.00 177.43 2kc5 h TYR 89 N 0.00 0.00 0.00 0.65 3.20 -1.81 -3.47 116.97 115.54 2kc5 h TYR 89 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kc5 h TYR 89 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 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 -1.39 3.59 3.72 1.82 0.00 -0.08 -5.06 105.19 107.80 2kc5 n GLY 90 Ca -0.01 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.80 2.04 0.01 2.61 2.01 -1.25 -4.22 115.64 115.03 2kc5 s THR 91 Ca 0.00 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2kc5 s THR 91 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2kc5 s THR 91 CO 0.00 0.00 -0.08 -0.04 -0.69 0.00 0.00 174.62 173.81 2kc5 s MET 92 N 0.90 0.62 -0.39 4.92 1.00 -0.59 -4.97 119.30 120.78 2kc5 s MET 92 Ca 0.73 -0.38 -0.27 0.00 0.00 0.00 0.00 55.69 55.77 2kc5 s MET 92 Cb -0.49 -0.57 0.02 0.00 0.00 0.00 0.00 34.83 33.78 2kc5 s MET 92 CO 0.35 0.15 1.02 0.95 0.00 0.00 0.00 175.02 177.49 2kc5 s THR 93 N -0.40 4.45 -0.02 2.05 -4.23 -1.26 -0.99 115.64 115.24 2kc5 s THR 93 Ca 0.01 1.30 -0.17 0.00 -1.18 0.00 0.00 61.69 61.65 2kc5 s THR 93 Cb -0.04 -4.44 -0.05 0.00 1.34 0.00 0.00 72.50 69.30 2kc5 s THR 93 CO -0.00 -0.68 0.47 -0.36 -0.54 0.00 0.00 174.62 173.50 2kc5 s PHE 94 N 3.82 3.68 0.13 3.99 0.40 -0.00 -4.86 117.98 125.14 2kc5 s PHE 94 Ca 0.43 1.02 -0.26 0.00 -0.60 0.00 0.00 56.93 57.52 2kc5 s PHE 94 Cb -0.10 -2.42 -0.07 0.00 0.51 0.00 0.00 43.02 40.93 2kc5 s PHE 94 CO 0.22 0.48 0.81 0.99 0.70 0.00 0.00 175.22 178.41 2kc5 s THR 95 N -0.53 4.45 -0.02 0.64 2.01 0.67 -0.65 115.64 122.22 2kc5 s THR 95 Ca 0.26 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.71 2kc5 s THR 95 Cb -0.17 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2kc5 s THR 95 CO 0.14 0.46 1.28 -0.69 -0.69 0.00 0.00 174.62 175.11 2kc5 s VAL 96 N -0.73 4.01 0.17 3.82 1.01 0.44 -0.84 120.40 128.27 2kc5 s VAL 96 Ca 0.38 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.79 2kc5 s VAL 96 Cb -0.23 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2kc5 s VAL 96 CO 0.26 0.01 0.11 -0.83 0.00 0.00 0.00 175.10 174.65 2kc5 s GLY 97 N 1.58 1.72 -0.29 4.51 0.00 0.06 -0.95 107.32 113.95 2kc5 s GLY 97 Ca 0.59 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2kc5 s GLY 97 CO 0.25 -1.25 0.05 1.85 0.00 0.00 0.00 173.10 174.00 2kc5 s GLU 98 N -3.06 1.00 -0.20 2.90 2.12 -1.26 -1.18 118.70 119.02 2kc5 s GLU 98 Ca 0.30 -1.12 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 2kc5 s GLU 98 Cb -0.10 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 2kc5 s GLU 98 CO 0.22 -0.87 0.80 -1.17 -0.54 0.00 0.00 175.26 173.71 2kc5 s LEU 99 N 1.49 4.14 0.23 2.70 2.96 -0.65 -4.98 118.68 124.56 2kc5 s LEU 99 Ca 0.06 1.08 -0.31 0.00 -0.22 0.00 0.00 54.13 54.73 2kc5 s LEU 99 Cb -0.18 -3.17 -0.12 0.00 0.50 0.00 0.00 46.19 43.22 2kc5 s LEU 99 CO -0.17 -0.42 1.69 -0.62 -1.32 0.00 0.00 176.35 175.51 2kc5 s ASP 100 N 1.23 6.38 0.00 3.68 2.15 -1.26 -1.29 116.67 127.55 2kc5 s ASP 100 Ca 0.36 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.22 2kc5 s ASP 100 Cb -0.16 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2kc5 s ASP 100 CO 0.10 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 2kc5 n GLY 101 N 3.50 0.62 0.00 2.66 0.00 -1.26 -4.89 105.19 105.81 2kc5 n GLY 101 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.27 0.00 -3.82 1.61 0.31 -0.42 -5.19 118.33 108.56 2kc5 n VAL 102 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2kc5 n VAL 102 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 -0.11 0.29 4.52 1.04 -1.12 -4.97 113.70 114.35 2kc5 s SER 103 Ca 0.00 -0.68 -0.28 0.00 0.48 0.00 0.00 55.95 55.47 2kc5 s SER 103 Cb 0.00 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 2kc5 s SER 103 CO 0.00 -1.21 0.97 -1.10 0.98 0.00 0.00 173.24 172.89 2kc5 s GLN 104 N -2.96 4.68 0.35 4.02 -0.21 -1.26 -1.64 119.66 122.64 2kc5 s GLN 104 Ca 0.15 1.48 -0.10 0.00 0.02 0.00 0.00 55.36 56.91 2kc5 s GLN 104 Cb -0.04 -3.04 0.03 0.00 1.00 0.00 0.00 33.01 30.96 2kc5 s GLN 104 CO 0.06 0.34 0.63 1.52 -2.12 0.00 0.00 175.29 175.72 2kc5 s TYR 105 N -1.37 0.53 -0.03 0.91 1.13 -0.32 -4.51 117.35 113.70 2kc5 s TYR 105 Ca 0.46 -0.98 0.06 0.00 -1.41 0.00 0.00 57.07 55.19 2kc5 s TYR 105 Cb -0.24 0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 2kc5 s TYR 105 CO 0.30 -1.33 -0.20 -0.51 -2.51 0.00 0.00 175.55 171.30 2kc5 s LEU 106 N -3.13 2.00 0.03 -3.49 1.43 -0.18 -0.76 118.68 114.58 2kc5 s LEU 106 Ca 0.22 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2kc5 s LEU 106 Cb -0.03 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 2kc5 s LEU 106 CO 0.15 0.21 -0.08 -0.44 0.23 0.00 0.00 176.35 176.43 2kc5 s SER 107 N -0.26 0.84 -0.07 2.29 0.01 -0.02 -0.41 113.70 116.09 2kc5 s SER 107 Ca 0.02 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 2kc5 s SER 107 Cb -0.10 0.00 0.04 0.00 0.21 0.00 0.00 66.02 66.17 2kc5 s SER 107 CO 0.01 -0.13 0.08 0.00 0.41 0.00 0.00 173.24 173.61 2kc5 s SER 109 N 2.18 6.81 -0.15 0.00 0.01 -1.26 -0.56 113.70 120.73 2kc5 s SER 109 Ca 0.04 2.51 -0.06 0.00 1.31 0.00 0.00 55.95 59.76 2kc5 s SER 109 Cb -0.13 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 2kc5 s SER 109 CO -0.04 -0.58 -0.18 0.18 0.41 0.00 0.00 173.24 173.02 2kc5 n LEU 110 N 2.39 1.49 -3.83 2.44 4.77 0.22 -4.88 117.00 119.59 2kc5 n LEU 110 Ca 0.06 0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 56.09 2kc5 n LEU 110 Cb 0.42 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2kc5 n LEU 110 CO 0.59 0.41 0.48 0.00 -1.33 0.00 0.00 177.39 177.54 2kc5 s MET 111 N -2.28 1.72 -0.34 3.23 0.23 -0.98 -5.02 119.30 115.88 2kc5 s MET 111 Ca -0.21 -0.94 -0.04 0.00 -1.03 0.00 0.00 55.69 53.47 2kc5 s MET 111 Cb 0.07 0.60 0.05 0.00 -1.53 0.00 0.00 34.83 34.02 2kc5 s MET 111 CO 0.28 -0.79 0.09 -1.12 -2.03 0.00 0.00 175.02 171.45 2kc5 s SER 112 N -2.91 5.17 0.81 -1.18 0.01 -1.26 -0.79 113.70 113.56 2kc5 s SER 112 Ca 0.11 -1.31 -0.11 0.00 1.31 0.00 0.00 55.95 55.94 2kc5 s SER 112 Cb -0.05 -1.81 0.08 0.00 0.21 0.00 0.00 66.02 64.44 2kc5 s SER 112 CO 0.06 -0.34 1.09 -2.16 0.41 0.00 0.00 173.24 172.30 2kc5 s PRO 113 N 1.32 1.92 0.06 12.44 0.04 -1.26 -4.98 135.00 144.54 2kc5 s PRO 113 Ca -0.02 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.08 2kc5 s PRO 113 Cb -0.20 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2kc5 s PRO 113 CO 0.01 -1.86 0.09 -0.48 0.04 0.00 0.00 177.00 174.79 2kc5 s LEU 114 N -6.05 1.90 0.43 -3.56 2.34 -1.26 -4.77 118.68 107.71 2kc5 s LEU 114 Ca 0.62 -0.72 0.30 0.00 0.06 0.00 0.00 54.13 54.38 2kc5 s LEU 114 Cb -0.18 0.62 1.27 0.00 -0.56 0.00 0.00 46.19 47.34 2kc5 s LEU 114 CO 0.56 -0.61 1.88 0.28 -1.06 0.00 0.00 176.35 177.40 2kc5 h SER 115 N 3.19 0.00 -3.63 1.48 0.02 -1.94 -3.41 113.55 109.25 2kc5 h SER 115 Ca -0.33 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.11 2kc5 h SER 115 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2kc5 h SER 115 CO 0.57 0.00 0.24 -2.28 -1.14 0.00 0.00 176.83 174.23 2kc5 s HIS 116 N -3.55 3.89 -1.47 3.45 5.04 -1.26 -3.72 115.29 117.67 2kc5 s HIS 116 Ca 0.02 1.72 -0.11 0.00 -1.54 0.00 0.00 55.06 55.15 2kc5 s HIS 116 Cb 0.09 -2.84 0.06 0.00 0.04 0.00 0.00 32.58 29.94 2kc5 s HIS 116 CO 0.46 0.45 0.84 0.43 -2.34 0.00 0.00 174.74 174.57 2kc5 n SER 117 N 1.38 -4.98 -3.77 9.88 7.64 -1.26 -4.97 113.62 117.54 2kc5 n SER 117 Ca -0.03 -0.59 -0.13 0.00 1.01 0.00 0.00 58.87 59.13 2kc5 n SER 117 Cb 0.48 -4.00 -0.10 0.00 -1.01 0.00 0.00 64.21 59.59 2kc5 n SER 117 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kc5 s MET 118 N -6.31 0.48 0.15 1.43 0.00 -1.24 -5.09 119.30 108.71 2kc5 s MET 118 Ca 0.54 0.14 -0.06 0.00 0.00 0.00 0.00 55.69 56.31 2kc5 s MET 118 Cb -0.27 0.22 -0.02 0.00 0.00 0.00 0.00 34.83 34.76 2kc5 s MET 118 CO 0.67 -0.10 0.20 -1.12 0.00 0.00 0.00 175.02 174.67 2kc5 s SER 119 N -0.49 0.14 0.54 1.11 0.01 -1.26 -4.95 113.70 108.80 2kc5 s SER 119 Ca -0.06 -0.96 0.32 0.00 1.31 0.00 0.00 55.95 56.56 2kc5 s SER 119 Cb -0.04 0.38 1.38 0.00 0.21 0.00 0.00 66.02 67.95 2kc5 s SER 119 CO 0.02 -0.82 1.99 0.16 0.41 0.00 0.00 173.24 175.00 2kc5 h ILE 120 N 2.67 0.13 -0.18 1.44 -2.65 -1.99 -0.19 117.51 116.75 2kc5 h ILE 120 Ca -0.33 -0.58 -0.09 0.00 1.03 0.00 0.00 64.86 64.89 2kc5 h ILE 120 Cb 1.21 1.51 -0.00 0.00 -2.05 0.00 0.00 36.82 37.49 2kc5 h ILE 120 CO 0.53 0.05 -0.25 -0.33 0.03 0.00 0.00 178.15 178.17 2kc5 h GLU 121 N 0.00 0.48 -0.93 0.16 4.39 -1.99 -2.01 114.58 114.67 2kc5 h GLU 121 Ca -0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2kc5 h GLU 121 Cb 0.50 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 2kc5 h GLU 121 CO 0.01 0.88 0.59 0.93 -1.16 0.00 0.00 179.01 180.25 2kc5 h GLU 122 N 0.13 1.25 0.33 2.33 4.39 -1.75 0.09 114.58 121.35 2kc5 h GLU 122 Ca 0.02 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2kc5 h GLU 122 Cb 0.82 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2kc5 h GLU 122 CO 0.06 0.85 -0.26 0.78 -1.16 0.00 0.00 179.01 179.28 2kc5 h GLY 123 N 1.28 -0.63 0.89 -3.84 0.00 -0.91 0.20 103.07 100.06 2kc5 h GLY 123 Ca 0.34 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 2kc5 h GLY 123 CO -0.07 -0.25 0.03 1.46 0.00 0.00 0.00 176.54 177.72 2kc5 h GLN 124 N -0.60 0.09 0.00 4.80 4.20 -1.15 -2.31 115.11 120.14 2kc5 h GLN 124 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2kc5 h GLN 124 Cb 0.53 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2kc5 h GLN 124 CO -0.01 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 2kc5 h ARG 125 N -0.01 0.00 0.00 1.46 3.08 -0.86 -1.61 114.38 116.44 2kc5 h ARG 125 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kc5 h ARG 125 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2kc5 h ARG 125 CO -0.00 0.00 -0.86 1.25 -1.07 0.00 0.00 179.97 179.29 2kc5 h LEU 126 N 0.00 0.00 -0.20 3.04 5.85 -0.39 0.60 115.31 124.21 2kc5 h LEU 126 Ca 0.00 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2kc5 h LEU 126 Cb 0.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kc5 h LEU 126 CO 0.00 0.02 -0.19 0.74 -0.34 0.00 0.00 178.44 178.68 2kc5 h THR 127 N 0.00 1.33 -0.43 1.05 2.02 -0.73 0.15 112.91 116.30 2kc5 h THR 127 Ca 0.00 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 2kc5 h THR 127 Cb 0.95 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2kc5 h THR 127 CO 0.00 0.41 -0.06 -0.78 0.37 0.00 0.00 175.52 175.46 2kc5 h ASP 128 N 0.15 0.79 0.49 4.18 3.58 -1.50 -0.84 116.42 123.27 2kc5 h ASP 128 Ca 0.03 -0.34 -0.10 0.00 0.42 0.00 0.00 57.03 57.04 2kc5 h ASP 128 Cb 0.73 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2kc5 h ASP 128 CO 0.05 0.94 -0.47 -0.78 -2.88 0.00 0.00 179.24 176.10 2kc5 h ASP 129 N 0.62 0.00 -0.25 2.28 3.58 -0.87 -0.10 116.42 121.67 2kc5 h ASP 129 Ca 0.11 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 2kc5 h ASP 129 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kc5 h ASP 129 CO 0.03 0.47 -0.31 0.00 -2.88 0.00 0.00 179.24 176.56 2kc5 h ALA 131 N 0.67 0.78 0.00 0.00 0.00 -0.80 -2.82 119.26 117.09 2kc5 h ALA 131 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kc5 h ALA 131 Cb 0.88 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kc5 h ALA 131 CO 0.07 -0.20 -0.00 -0.09 0.00 0.00 0.00 179.25 179.03 2kc5 h ARG 132 N 0.39 -0.01 0.00 0.00 2.43 -0.86 -3.31 114.38 113.02 2kc5 h ARG 132 Ca 0.31 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2kc5 h ARG 132 Cb 0.39 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2kc5 h ARG 132 CO -0.31 0.48 -0.03 0.00 -1.51 0.00 0.00 179.97 178.60 2kc5 h MET 133 N -0.49 0.00 0.00 0.20 -0.00 -0.55 0.92 114.93 115.00 2kc5 h MET 133 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kc5 h MET 133 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.09 2kc5 h MET 133 CO 0.00 0.03 0.00 0.44 -0.00 0.00 0.00 176.91 177.38 2kc5 n ILE 134 N -4.02 0.39 0.09 -0.10 -5.35 -1.08 -2.23 119.36 107.05 2kc5 n ILE 134 Ca -0.03 -0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.39 2kc5 n ILE 134 Cb 0.12 -0.67 0.07 0.00 -1.74 0.00 0.00 39.64 37.41 2kc5 n ILE 134 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2kc5 h LEU 135 N 0.00 0.25 1.83 7.28 3.38 -0.92 -3.22 115.31 123.91 2kc5 h LEU 135 Ca 0.00 -0.17 -0.30 0.00 0.09 0.00 0.00 57.88 57.50 2kc5 h LEU 135 Cb 0.50 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2kc5 h LEU 135 CO 0.00 0.89 -0.33 -1.20 0.09 0.00 0.00 178.44 177.89 2kc5 n SER 136 N -3.77 -4.19 -3.88 -0.43 7.64 -0.95 -4.50 113.62 103.54 2kc5 n SER 136 Ca -0.03 0.25 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 2kc5 n SER 136 Cb 0.70 -3.69 -0.10 0.00 -1.01 0.00 0.00 64.21 60.12 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 -4.82 1.61 0.98 -3.43 1.43 -1.26 -4.96 118.68 108.23 2kc5 s LEU 137 Ca 0.00 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2kc5 s LEU 137 Cb 0.00 0.65 0.18 0.00 0.03 0.00 0.00 46.19 47.05 2kc5 s LEU 137 CO 0.00 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.13 2kc5 s PRO 138 N -1.55 0.55 0.29 1.29 0.04 -1.26 -5.01 135.00 129.35 2kc5 s PRO 138 Ca -0.14 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 2kc5 s PRO 138 Cb -0.07 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 2kc5 s PRO 138 CO 0.01 -2.66 1.33 0.08 0.04 0.00 0.00 177.00 175.80 2kc5 s VAL 139 N -2.97 2.81 0.46 -0.36 1.01 -1.26 -4.97 120.40 115.12 2kc5 s VAL 139 Ca 0.65 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 2kc5 s VAL 139 Cb -0.18 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2kc5 s VAL 139 CO 0.57 0.15 1.29 -0.89 0.00 0.00 0.00 175.10 176.23 2kc5 s THR 140 N -0.65 2.56 -0.55 3.92 2.01 -1.26 -5.01 115.64 116.66 2kc5 s THR 140 Ca 0.53 0.46 0.04 0.00 0.31 0.00 0.00 61.69 63.02 2kc5 s THR 140 Cb -0.39 -3.25 0.15 0.00 0.01 0.00 0.00 72.50 69.02 2kc5 s THR 140 CO 0.48 0.03 0.35 0.21 -0.69 0.00 0.00 174.62 175.00 2kc5 s ASN 141 N -0.94 3.90 0.76 3.53 2.47 -1.26 -5.13 114.94 118.28 2kc5 s ASN 141 Ca 0.63 -3.23 -0.11 0.00 0.42 0.00 0.00 52.86 50.57 2kc5 s ASN 141 Cb -0.37 -1.29 0.05 0.00 -1.45 0.00 0.00 41.25 38.19 2kc5 s ASN 141 CO 0.45 -0.18 1.08 -2.16 -3.72 0.00 0.00 177.10 172.58 2kc5 s PRO 142 N -0.50 2.34 -0.12 0.43 0.04 -1.26 -5.09 135.00 130.84 2kc5 s PRO 142 Ca 0.22 1.07 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 2kc5 s PRO 142 Cb -0.13 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2kc5 s PRO 142 CO -0.09 -1.56 0.30 0.34 0.04 0.00 0.00 177.00 176.03 2kc5 s ASP 143 N -3.51 -0.34 0.04 6.66 2.15 -1.26 -5.18 116.67 115.23 2kc5 s ASP 143 Ca 0.61 0.63 -0.01 0.00 0.43 0.00 0.00 52.55 54.21 2kc5 s ASP 143 Cb -0.16 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 42.97 2kc5 s ASP 143 CO 0.56 -0.15 -0.03 0.68 -0.17 0.00 0.00 175.17 176.05 2kc5 s VAL 144 N 0.98 0.20 1.16 1.11 -7.23 -1.26 -5.17 120.40 110.19 2kc5 s VAL 144 Ca -0.07 -1.55 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 2kc5 s VAL 144 Cb -0.08 -1.16 0.27 0.00 0.56 0.00 0.00 36.38 35.97 2kc5 s VAL 144 CO -0.07 -0.85 1.07 -2.16 -0.31 0.00 0.00 175.10 172.78 2kc5 s PRO 145 N -3.21 -0.91 0.19 4.82 0.04 -1.26 -4.95 135.00 129.73 2kc5 s PRO 145 Ca 0.00 0.26 -0.33 0.00 0.04 0.00 0.00 61.00 60.97 2kc5 s PRO 145 Cb 0.03 -1.60 -0.13 0.00 0.04 0.00 0.00 34.50 32.83 2kc5 s PRO 145 CO -0.07 -3.57 1.54 0.72 0.04 0.00 0.00 177.00 175.66 2kc5 n HIS 146 N -4.72 2.32 0.08 0.56 8.25 -1.26 -4.91 115.22 115.54 2kc5 n HIS 146 Ca 0.09 0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 57.63 2kc5 n HIS 146 Cb 0.58 -2.53 -0.12 0.00 1.12 0.00 0.00 29.99 29.04 2kc5 n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kc5 h ALA 147 N 5.45 0.04 -3.00 -1.41 0.00 -2.04 -3.46 119.26 114.84 2kc5 h ALA 147 Ca -0.45 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.70 2kc5 h ALA 147 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kc5 h ALA 147 CO 0.85 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.22 2kc5 n GLY 148 N 1.32 1.43 3.65 0.00 0.00 -1.26 -5.08 105.19 105.24 2kc5 n GLY 148 Ca -0.13 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2kc5 n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kc5 s ARG 149 N 2.10 0.76 0.50 1.61 1.70 -1.26 -4.99 118.95 119.37 2kc5 s ARG 149 Ca 0.00 1.37 -0.23 0.00 -0.47 0.00 0.00 55.73 56.40 2kc5 s ARG 149 Cb 0.00 -1.71 -0.06 0.00 -0.57 0.00 0.00 34.95 32.61 2kc5 s ARG 149 CO 0.00 -2.74 1.29 1.03 -1.08 0.00 0.00 175.30 173.79 2kc5 s ARG 150 N -4.65 3.46 0.00 3.89 0.52 -1.26 -4.90 118.95 116.02 2kc5 s ARG 150 Ca 0.66 2.07 0.29 0.00 -0.52 0.00 0.00 55.73 58.24 2kc5 s ARG 150 Cb -0.23 -2.38 1.28 0.00 0.52 0.00 0.00 34.95 34.15 2kc5 s ARG 150 CO 0.59 -0.88 1.94 0.00 0.02 0.00 0.00 175.30 176.97 2kc5 n ALA 151 N -0.69 2.34 -1.75 2.13 0.00 -1.26 -4.87 120.51 116.42 2kc5 n ALA 151 Ca 0.08 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 2kc5 n ALA 151 Cb 0.46 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.48 2kc5 n ALA 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kc5 s LEU 152 N -2.92 3.72 -0.10 0.00 1.02 -1.26 -4.98 118.68 114.16 2kc5 s LEU 152 Ca 0.16 2.51 -0.30 0.00 0.02 0.00 0.00 54.13 56.53 2kc5 s LEU 152 Cb 0.19 -4.50 -0.03 0.00 0.02 0.00 0.00 46.19 41.87 2kc5 s LEU 152 CO 0.51 -1.60 1.32 -0.22 0.02 0.00 0.00 176.35 176.37 2kc5 s LEU 153 N -3.91 4.24 0.13 1.79 1.98 -1.26 -4.99 118.68 116.66 2kc5 s LEU 153 Ca 0.76 1.85 -0.14 0.00 -2.89 0.00 0.00 54.13 53.72 2kc5 s LEU 153 Cb -0.34 -3.55 0.02 0.00 0.66 0.00 0.00 46.19 42.99 2kc5 s LEU 153 CO 0.38 -0.73 0.35 0.12 -1.89 0.00 0.00 176.35 174.58 2kc5 s PHE 154 N 3.09 -0.03 -0.61 5.38 5.36 -1.26 -4.96 117.98 124.95 2kc5 s PHE 154 Ca 0.59 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2kc5 s PHE 154 Cb -0.25 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 2kc5 s PHE 154 CO 0.20 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 173.67 2kc5 n GLY 155 N -0.20 0.47 3.14 13.12 0.00 -1.26 -5.04 105.19 115.42 2kc5 n GLY 155 Ca -0.14 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 2kc5 n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kc5 s ARG 156 N -3.48 1.25 0.10 1.61 0.52 -1.26 -5.05 118.95 112.64 2kc5 s ARG 156 Ca 0.00 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2kc5 s ARG 156 Cb 0.00 -1.22 -0.24 0.00 0.52 0.00 0.00 34.95 34.01 2kc5 s ARG 156 CO 0.00 0.33 1.22 -0.09 0.02 0.00 0.00 175.30 176.78 2kc5 h ARG 157 N 5.63 0.10 -6.98 3.54 9.65 -2.04 -3.47 114.38 120.82 2kc5 h ARG 157 Ca -0.36 -0.17 -0.53 0.00 -1.10 0.00 0.00 59.98 57.82 2kc5 h ARG 157 Cb 1.16 0.06 0.09 0.00 -1.39 0.00 0.00 29.97 29.89 2kc5 h ARG 157 CO 0.48 1.08 0.59 -1.12 2.80 0.00 0.00 179.97 183.80 2kc5 s SER 158 N -6.86 6.08 0.95 -3.80 0.01 -1.26 -5.05 113.70 103.76 2kc5 s SER 158 Ca -0.01 2.62 -0.02 0.00 1.31 0.00 0.00 55.95 59.85 2kc5 s SER 158 Cb 0.09 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.72 2kc5 s SER 158 CO 0.84 -1.01 0.20 0.61 0.41 0.00 0.00 173.24 174.30 2kc5 n GLY 159 N 0.63 -1.03 3.02 3.44 0.00 -1.26 -5.13 105.19 104.86 2kc5 n GLY 159 Ca 0.06 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 2kc5 n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kc5 s GLU 160 N -3.40 0.30 0.26 1.61 2.12 -1.26 -5.15 118.70 113.18 2kc5 s GLU 160 Ca 0.11 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 2kc5 s GLU 160 Cb -0.00 0.12 -0.10 0.00 0.26 0.00 0.00 34.13 34.41 2kc5 s GLU 160 CO 0.08 -0.06 1.29 1.21 -0.54 0.00 0.00 175.26 177.25 2kc5 s ASN 161 N -0.83 6.88 0.00 -1.70 2.47 -1.26 -5.34 114.94 115.15 2kc5 s ASN 161 Ca -0.09 2.51 0.00 0.00 0.42 0.00 0.00 52.86 55.70 2kc5 s ASN 161 Cb -0.05 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 2kc5 s ASN 161 CO 0.00 -0.50 0.00 0.00 -3.72 0.00 0.00 177.10 172.89