#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb3 h GLU 14 N 0.00 -0.45 -0.97 -1.46 4.81 -2.04 -2.65 114.58 111.82 3kb3 h GLU 14 Ca 0.00 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.44 3kb3 h GLU 14 Cb 0.00 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.39 3kb3 h GLU 14 CO 0.00 -0.30 0.61 0.37 -0.73 0.00 0.00 179.01 178.96 3kb3 h GLN 15 N -0.52 0.67 0.00 1.92 -0.00 -2.06 -0.93 115.11 114.19 3kb3 h GLN 15 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 3kb3 h GLN 15 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.69 3kb3 h GLN 15 CO 0.08 0.44 0.00 0.87 0.00 0.00 0.00 178.83 180.22 3kb3 h LYS 16 N 0.69 0.00 0.05 1.69 1.57 -2.01 0.36 116.57 118.91 3kb3 h LYS 16 Ca 0.53 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.05 3kb3 h LYS 16 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3kb3 h LYS 16 CO -0.29 0.00 -1.33 1.15 -0.57 0.00 0.00 179.45 178.41 3kb3 h THR 17 N 0.00 1.35 0.00 -0.16 2.02 -0.83 -3.37 112.91 111.92 3kb3 h THR 17 Ca 0.00 -3.06 -0.14 0.00 0.77 0.00 0.00 66.41 63.99 3kb3 h THR 17 Cb 0.83 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.96 3kb3 h THR 17 CO 0.00 0.82 -0.66 -0.07 0.37 0.00 0.00 175.52 175.98 3kb3 h LEU 18 N 0.03 0.00 -0.62 2.58 3.38 -0.95 -3.36 115.31 116.37 3kb3 h LEU 18 Ca -0.15 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.95 3kb3 h LEU 18 Cb 1.91 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.56 3kb3 h LEU 18 CO 0.14 0.66 0.01 -0.33 0.09 0.00 0.00 178.44 179.01 3kb3 h GLU 19 N 0.00 0.12 -0.67 1.13 5.08 -1.09 0.37 114.58 119.52 3kb3 h GLU 19 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3kb3 h GLU 19 Cb 1.40 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 3kb3 h GLU 19 CO 0.09 0.08 0.26 -1.35 -1.00 0.00 0.00 179.01 177.09 3kb3 h PRO 20 N 0.12 1.00 -0.60 2.33 0.11 -1.81 0.27 132.00 133.42 3kb3 h PRO 20 Ca 0.33 -0.18 0.03 0.00 0.11 0.00 0.00 66.00 66.28 3kb3 h PRO 20 Cb 0.53 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 3kb3 h PRO 20 CO -0.53 0.84 0.36 0.28 -0.21 0.00 0.00 178.00 178.74 3kb3 h VAL 21 N 0.95 1.05 -0.24 3.15 2.07 -1.50 0.28 116.25 122.01 3kb3 h VAL 21 Ca 0.22 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3kb3 h VAL 21 Cb 0.22 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3kb3 h VAL 21 CO -0.02 0.13 0.08 0.40 0.02 0.00 0.00 177.57 178.19 3kb3 h ILE 22 N 0.70 1.18 -0.67 4.57 2.04 0.26 -0.94 117.51 124.65 3kb3 h ILE 22 Ca 0.24 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3kb3 h ILE 22 Cb 0.04 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3kb3 h ILE 22 CO -0.11 0.18 0.22 0.50 0.00 0.00 0.00 178.15 178.95 3kb3 h LYS 23 N 0.22 1.02 -0.00 2.37 3.64 -0.28 -0.87 116.57 122.68 3kb3 h LYS 23 Ca 0.08 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3kb3 h LYS 23 Cb 0.21 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kb3 h LYS 23 CO -0.00 0.86 -0.01 1.15 -2.27 0.00 0.00 179.45 179.18 3kb3 h THR 24 N 0.99 1.57 0.00 1.00 2.02 -0.15 -3.41 112.91 114.92 3kb3 h THR 24 Ca 0.22 -1.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.66 3kb3 h THR 24 Cb 0.26 2.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 3kb3 h THR 24 CO -0.01 0.44 -1.48 -1.22 0.37 0.00 0.00 175.52 173.62 3kb3 n TYR 25 N -4.74 0.00 -2.20 3.16 4.02 -0.38 -4.73 117.16 112.29 3kb3 n TYR 25 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.49 3kb3 n TYR 25 Cb 0.36 -0.28 0.02 0.00 -0.02 0.00 0.00 39.34 39.42 3kb3 n TYR 25 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3kb3 n HIS 26 N -1.97 3.21 -5.26 -0.72 8.25 -0.33 -4.89 115.22 113.51 3kb3 n HIS 26 Ca -0.05 -2.79 -0.31 0.00 -0.26 0.00 0.00 57.72 54.31 3kb3 n HIS 26 Cb 0.40 -0.50 -0.16 0.00 1.12 0.00 0.00 29.99 30.85 3kb3 n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kb3 s GLN 27 N -3.71 2.16 0.25 -0.41 -0.21 -1.23 -4.77 119.66 111.74 3kb3 s GLN 27 Ca 0.50 -0.90 0.08 0.00 0.02 0.00 0.00 55.36 55.06 3kb3 s GLN 27 Cb 0.42 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 32.29 3kb3 s GLN 27 CO -0.22 0.57 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.35 3kb3 s PHE 28 N -0.62 1.88 -0.01 0.91 0.40 -1.26 -5.11 117.98 114.17 3kb3 s PHE 28 Ca 0.10 -0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 55.52 3kb3 s PHE 28 Cb -0.10 -0.97 -0.06 0.00 0.51 0.00 0.00 43.02 42.40 3kb3 s PHE 28 CO -0.01 0.35 1.47 -1.21 0.70 0.00 0.00 175.22 176.53 3kb3 s GLU 29 N -3.67 4.25 0.18 0.44 2.02 -1.26 -4.96 118.70 115.70 3kb3 s GLU 29 Ca 0.27 2.04 -0.31 0.00 0.02 0.00 0.00 54.97 56.99 3kb3 s GLU 29 Cb 0.01 -3.66 -0.10 0.00 0.10 0.00 0.00 34.13 30.49 3kb3 s GLU 29 CO 0.10 -0.66 1.49 -1.25 0.02 0.00 0.00 175.26 174.96 3kb3 s PRO 30 N 2.78 4.26 -0.13 0.39 0.04 -1.26 -5.00 135.00 136.08 3kb3 s PRO 30 Ca 0.66 2.28 -0.30 0.00 0.04 0.00 0.00 61.00 63.68 3kb3 s PRO 30 Cb -0.32 -3.16 0.12 0.00 0.04 0.00 0.00 34.50 31.17 3kb3 s PRO 30 CO 0.27 -0.51 0.95 0.16 0.04 0.00 0.00 177.00 177.91 3kb3 s ASP 31 N 0.88 -0.40 0.33 6.66 -4.77 -1.26 -5.05 116.67 113.06 3kb3 s ASP 31 Ca 0.65 0.39 0.26 0.00 -3.30 0.00 0.00 52.55 50.55 3kb3 s ASP 31 Cb -0.42 0.34 1.05 0.00 -1.09 0.00 0.00 42.92 42.80 3kb3 s ASP 31 CO 0.35 -0.41 1.78 -0.65 0.70 0.00 0.00 175.17 176.94 3kb3 h PRO 32 N 2.54 0.00 -0.00 2.11 0.11 -2.04 -2.94 132.00 131.78 3kb3 h PRO 32 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3kb3 h PRO 32 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kb3 h PRO 32 CO 0.32 0.00 -0.12 0.25 -0.21 0.00 0.00 178.00 178.24 3kb3 n THR 33 N -2.46 0.00 -4.39 -1.15 -2.24 -1.26 -4.93 114.28 97.85 3kb3 n THR 33 Ca 0.02 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 3kb3 n THR 33 Cb 0.27 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 3kb3 n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kb3 s THR 34 N -2.72 2.06 -0.13 4.28 -4.23 -1.11 -1.38 115.64 112.41 3kb3 s THR 34 Ca 0.22 -2.24 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 3kb3 s THR 34 Cb 0.19 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 3kb3 s THR 34 CO 0.52 -0.46 -0.09 0.00 -0.54 0.00 0.00 174.62 174.05 3kb3 s THR 36 N 0.13 0.93 0.06 0.00 -4.23 -1.26 -1.45 115.64 109.82 3kb3 s THR 36 Ca -0.04 -1.11 -0.27 0.00 -1.18 0.00 0.00 61.69 59.09 3kb3 s THR 36 Cb -0.14 -0.90 0.09 0.00 1.34 0.00 0.00 72.50 72.89 3kb3 s THR 36 CO 0.04 -0.19 0.85 -0.55 -0.54 0.00 0.00 174.62 174.23 3kb3 s SER 37 N -1.46 -0.35 -0.12 3.99 0.15 -1.11 -5.00 113.70 109.80 3kb3 s SER 37 Ca -0.03 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 3kb3 s SER 37 Cb -0.09 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 3kb3 s SER 37 CO 0.01 -0.76 -0.06 -0.22 1.20 0.00 0.00 173.24 173.42 3kb3 s LEU 38 N -2.63 1.15 -0.08 3.45 0.20 -1.26 -1.58 118.68 117.93 3kb3 s LEU 38 Ca 0.06 -0.34 -0.01 0.00 0.69 0.00 0.00 54.13 54.53 3kb3 s LEU 38 Cb -0.01 -0.78 -0.03 0.00 -0.43 0.00 0.00 46.19 44.94 3kb3 s LEU 38 CO -0.07 -0.15 0.00 -0.63 -0.29 0.00 0.00 176.35 175.22 3kb3 s ILE 39 N 1.75 4.30 -0.10 6.68 1.01 0.96 -4.97 121.20 130.83 3kb3 s ILE 39 Ca 0.04 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.44 3kb3 s ILE 39 Cb -0.13 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3kb3 s ILE 39 CO -0.08 0.58 -0.21 -0.89 0.00 0.00 0.00 174.94 174.34 3kb3 s THR 40 N -0.91 2.33 -0.05 2.92 2.01 -1.26 -1.01 115.64 119.67 3kb3 s THR 40 Ca 0.14 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.21 3kb3 s THR 40 Cb -0.11 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.51 3kb3 s THR 40 CO 0.03 0.55 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.90 3kb3 s GLN 41 N 0.22 0.82 -0.12 4.92 2.00 0.17 -5.00 119.66 122.67 3kb3 s GLN 41 Ca -0.14 -0.08 -0.15 0.00 -2.00 0.00 0.00 55.36 52.99 3kb3 s GLN 41 Cb -0.17 -0.88 -0.05 0.00 0.80 0.00 0.00 33.01 32.72 3kb3 s GLN 41 CO 0.07 -0.11 0.37 0.50 -0.50 0.00 0.00 175.29 175.61 3kb3 s ARG 42 N 1.06 4.19 -0.05 1.67 3.52 -1.26 -0.97 118.95 127.12 3kb3 s ARG 42 Ca -0.09 0.25 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 3kb3 s ARG 42 Cb -0.14 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3kb3 s ARG 42 CO -0.01 0.31 -0.13 0.42 -0.81 0.00 0.00 175.30 175.08 3kb3 s ILE 43 N 0.19 1.17 -1.28 4.11 1.01 0.13 -4.99 121.20 121.53 3kb3 s ILE 43 Ca 0.21 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 3kb3 s ILE 43 Cb -0.14 -1.04 0.15 0.00 0.01 0.00 0.00 42.46 41.44 3kb3 s ILE 43 CO 0.08 0.35 1.79 1.41 0.00 0.00 0.00 174.94 178.57 3kb3 n HIS 44 N 3.49 3.67 -3.49 3.97 8.25 -1.26 -0.69 115.22 129.15 3kb3 n HIS 44 Ca -0.20 -2.97 -0.12 0.00 -0.26 0.00 0.00 57.72 54.17 3kb3 n HIS 44 Cb 0.53 -2.13 -0.03 0.00 1.12 0.00 0.00 29.99 29.47 3kb3 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kb3 s ALA 45 N 1.27 -1.75 0.59 -1.41 0.00 -1.26 -4.78 121.76 114.43 3kb3 s ALA 45 Ca 0.42 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 3kb3 s ALA 45 Cb 0.06 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3kb3 s ALA 45 CO -0.00 -0.58 1.09 -2.14 0.00 0.00 0.00 175.76 174.13 3kb3 s PRO 46 N -2.57 3.19 0.53 0.00 0.02 -1.26 -3.36 135.00 131.56 3kb3 s PRO 46 Ca -0.01 1.38 0.19 0.00 0.02 0.00 0.00 61.00 62.58 3kb3 s PRO 46 Cb -0.01 -2.00 1.36 0.00 0.02 0.00 0.00 34.50 33.87 3kb3 s PRO 46 CO -0.04 -0.94 2.14 0.00 -0.33 0.00 0.00 177.00 177.83 3kb3 h ALA 47 N 0.59 2.00 0.00 -1.55 0.00 -1.93 0.80 119.26 119.16 3kb3 h ALA 47 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kb3 h ALA 47 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kb3 h ALA 47 CO 0.56 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.38 3kb3 h SER 48 N 0.00 0.00 0.04 0.00 4.64 -1.99 0.38 113.55 116.62 3kb3 h SER 48 Ca 0.03 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.97 3kb3 h SER 48 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 3kb3 h SER 48 CO -0.00 0.00 -2.34 0.52 -0.87 0.00 0.00 176.83 174.14 3kb3 n VAL 49 N -2.40 1.57 -0.06 0.95 0.31 0.22 -4.42 118.33 114.50 3kb3 n VAL 49 Ca 0.01 -0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 63.62 3kb3 n VAL 49 Cb 0.21 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 3kb3 n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kb3 h VAL 50 N 0.02 1.30 -0.73 2.52 2.07 -1.21 -3.32 116.25 116.91 3kb3 h VAL 50 Ca -0.53 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 65.97 3kb3 h VAL 50 Cb 1.95 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 33.28 3kb3 h VAL 50 CO -0.04 0.33 0.39 -0.25 0.02 0.00 0.00 177.57 178.02 3kb3 h TRP 51 N 0.08 0.70 0.00 1.57 2.91 -1.16 -2.24 115.95 117.80 3kb3 h TRP 51 Ca 0.04 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 3kb3 h TRP 51 Cb 0.54 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.98 3kb3 h TRP 51 CO 0.06 0.28 -0.11 -1.35 -1.03 0.00 0.00 178.44 176.29 3kb3 h PRO 52 N 0.67 0.00 -0.49 2.65 0.10 -1.77 0.61 132.00 133.76 3kb3 h PRO 52 Ca 0.35 0.00 -0.11 0.00 0.10 0.00 0.00 66.00 66.34 3kb3 h PRO 52 Cb 0.32 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 31.41 3kb3 h PRO 52 CO -0.24 0.11 -0.12 -0.07 0.10 0.00 0.00 178.00 177.77 3kb3 h LEU 53 N 0.00 0.95 -0.29 2.35 4.07 -1.55 -1.27 115.31 119.57 3kb3 h LEU 53 Ca -0.00 -0.36 -0.19 0.00 0.08 0.00 0.00 57.88 57.40 3kb3 h LEU 53 Cb 0.32 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3kb3 h LEU 53 CO 0.01 1.09 -0.87 0.40 -1.08 0.00 0.00 178.44 178.00 3kb3 h ILE 54 N 0.80 1.49 0.00 1.22 2.04 -1.11 -3.33 117.51 118.63 3kb3 h ILE 54 Ca 0.12 -2.61 -0.08 0.00 1.00 0.00 0.00 64.86 63.30 3kb3 h ILE 54 Cb 0.68 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 3kb3 h ILE 54 CO 0.05 0.76 -0.45 -0.09 0.00 0.00 0.00 178.15 178.42 3kb3 h ARG 55 N 0.11 0.00 -6.01 2.37 9.65 -0.69 -3.39 114.38 116.42 3kb3 h ARG 55 Ca -0.04 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 58.22 3kb3 h ARG 55 Cb 1.49 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.97 3kb3 h ARG 55 CO 0.13 0.35 1.63 0.50 2.80 0.00 0.00 179.97 185.38 3kb3 s ARG 56 N -3.03 3.68 0.46 0.20 6.06 -0.50 -4.80 118.95 121.01 3kb3 s ARG 56 Ca 0.04 -1.34 0.14 0.00 -2.50 0.00 0.00 55.73 52.07 3kb3 s ARG 56 Cb 0.07 -5.38 1.04 0.00 0.06 0.00 0.00 34.95 30.74 3kb3 s ARG 56 CO 0.73 -2.20 2.02 0.35 -2.50 0.00 0.00 175.30 173.70 3kb3 h PHE 57 N 9.27 0.01 0.00 5.12 3.57 -1.84 -1.74 116.94 131.33 3kb3 h PHE 57 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3kb3 h PHE 57 Cb 0.98 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3kb3 h PHE 57 CO 1.31 0.16 0.00 -0.40 -2.23 0.00 0.00 178.31 177.15 3kb3 n ASP 58 N -4.36 0.00 -2.73 0.41 3.85 -1.26 -4.26 116.55 108.21 3kb3 n ASP 58 Ca -0.02 -0.44 -0.19 0.00 -0.71 0.00 0.00 54.79 53.43 3kb3 n ASP 58 Cb 0.22 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 3kb3 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kb3 n ASN 59 N -1.17 2.85 0.25 -1.12 4.05 -0.65 -4.65 115.26 114.81 3kb3 n ASN 59 Ca 0.17 -3.23 0.16 0.00 0.45 0.00 0.00 54.58 52.13 3kb3 n ASN 59 Cb 0.17 -0.53 0.63 0.00 1.23 0.00 0.00 39.78 41.29 3kb3 n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3kb3 h PRO 60 N 2.86 0.00 0.00 1.20 0.13 -1.74 -2.96 132.00 131.49 3kb3 h PRO 60 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kb3 h PRO 60 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3kb3 h PRO 60 CO 0.66 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 3kb3 n GLU 61 N -2.96 0.06 0.09 0.86 0.00 -1.26 -0.59 120.64 116.84 3kb3 n GLU 61 Ca 0.01 0.39 0.02 0.00 0.00 0.00 0.00 57.16 57.58 3kb3 n GLU 61 Cb 0.31 -1.65 0.37 0.00 0.00 0.00 0.00 31.44 30.47 3kb3 n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kb3 h ARG 62 N 0.00 0.31 0.00 3.44 2.47 -1.92 -3.32 114.38 115.37 3kb3 h ARG 62 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3kb3 h ARG 62 Cb 0.19 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3kb3 h ARG 62 CO 0.00 0.42 -0.01 2.48 0.56 0.00 0.00 179.97 183.42 3kb3 n TYR 63 N -4.28 0.00 -3.13 3.04 0.18 -0.11 -4.93 117.16 107.94 3kb3 n TYR 63 Ca -0.00 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.33 3kb3 n TYR 63 Cb 0.26 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.19 3kb3 n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kb3 s LYS 64 N -0.59 3.46 0.00 -3.48 1.02 0.24 -4.42 119.74 115.96 3kb3 s LYS 64 Ca 0.00 -1.91 0.11 0.00 0.02 0.00 0.00 55.97 54.19 3kb3 s LYS 64 Cb 0.00 -4.57 0.49 0.00 -0.52 0.00 0.00 37.83 33.24 3kb3 s LYS 64 CO 0.00 -1.53 1.35 0.72 -0.92 0.00 0.00 175.35 174.96 3kb3 n HIS 65 N 5.53 0.16 1.12 3.18 8.25 -1.26 -1.77 115.22 130.43 3kb3 n HIS 65 Ca 0.11 -0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3kb3 n HIS 65 Cb 0.47 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.75 3kb3 n HIS 65 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kb3 n PHE 66 N -0.14 0.00 -3.35 4.41 3.01 -1.26 -4.88 117.46 115.25 3kb3 n PHE 66 Ca 0.10 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.17 3kb3 n PHE 66 Cb 0.16 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 3kb3 n PHE 66 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kb3 s VAL 67 N -2.40 5.18 -0.18 -4.37 1.01 -0.73 -0.89 120.40 118.02 3kb3 s VAL 67 Ca 0.23 0.79 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 3kb3 s VAL 67 Cb 0.19 -3.76 -0.22 0.00 0.00 0.00 0.00 36.38 32.59 3kb3 s VAL 67 CO 0.51 0.25 0.24 1.17 0.00 0.00 0.00 175.10 177.26 3kb3 n LYS 68 N 4.42 0.65 -3.65 2.72 4.81 0.15 -4.78 118.16 122.48 3kb3 n LYS 68 Ca -0.07 0.43 -0.13 0.00 -0.87 0.00 0.00 58.31 57.66 3kb3 n LYS 68 Cb 0.51 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 3kb3 n LYS 68 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3kb3 s ARG 69 N -2.45 0.92 0.00 1.64 1.70 -1.05 -5.01 118.95 114.70 3kb3 s ARG 69 Ca -0.27 -0.28 -0.00 0.00 -0.47 0.00 0.00 55.73 54.71 3kb3 s ARG 69 Cb 0.07 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3kb3 s ARG 69 CO 0.66 -0.31 0.00 0.00 -1.08 0.00 0.00 175.30 174.57 3kb3 s ARG 71 N -0.49 0.57 -0.01 0.00 1.04 -0.92 -4.95 118.95 114.19 3kb3 s ARG 71 Ca -0.05 -0.20 -0.30 0.00 -1.04 0.00 0.00 55.73 54.14 3kb3 s ARG 71 Cb -0.03 0.25 -0.05 0.00 -2.04 0.00 0.00 34.95 33.08 3kb3 s ARG 71 CO -0.00 -0.15 1.29 -0.51 -0.04 0.00 0.00 175.30 175.89 3kb3 s LEU 72 N -1.19 4.31 -0.01 -1.89 1.02 -1.26 -0.63 118.68 119.03 3kb3 s LEU 72 Ca -0.13 1.98 0.19 0.00 0.02 0.00 0.00 54.13 56.20 3kb3 s LEU 72 Cb -0.06 -3.56 -0.24 0.00 0.02 0.00 0.00 46.19 42.35 3kb3 s LEU 72 CO 0.03 -0.63 0.66 2.30 0.02 0.00 0.00 176.35 178.72 3kb3 n ILE 73 N 4.55 0.00 -3.69 -0.59 -5.35 0.47 -4.92 119.36 109.83 3kb3 n ILE 73 Ca 0.12 -0.21 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 3kb3 n ILE 73 Cb 0.45 0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 38.89 3kb3 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3kb3 s SER 74 N -3.37 -0.52 0.00 7.28 0.15 -0.88 -4.98 113.70 111.38 3kb3 s SER 74 Ca 0.01 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.60 3kb3 s SER 74 Cb 0.14 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 3kb3 s SER 74 CO 0.79 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.61 3kb3 n GLY 75 N 2.54 -0.40 0.23 9.45 0.00 -1.26 -1.20 105.19 114.55 3kb3 n GLY 75 Ca -0.15 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.10 3kb3 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kb3 n ASP 76 N -0.57 1.32 0.00 1.61 8.00 -1.26 -4.92 116.55 120.73 3kb3 n ASP 76 Ca 0.00 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 52.97 3kb3 n ASP 76 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3kb3 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kb3 n GLY 77 N -0.77 1.70 4.00 0.44 0.00 -1.26 -5.05 105.19 104.25 3kb3 n GLY 77 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3kb3 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kb3 s ASP 78 N -1.62 4.21 0.25 1.61 1.01 -1.26 -4.70 116.67 116.17 3kb3 s ASP 78 Ca 0.00 -0.52 -0.30 0.00 0.71 0.00 0.00 52.55 52.43 3kb3 s ASP 78 Cb 0.00 0.24 -0.14 0.00 1.01 0.00 0.00 42.92 44.03 3kb3 s ASP 78 CO 0.00 -1.97 1.23 0.52 0.21 0.00 0.00 175.17 175.16 3kb3 n VAL 79 N -2.87 1.36 -0.26 -1.27 0.31 -1.26 -1.51 118.33 112.82 3kb3 n VAL 79 Ca 0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3kb3 n VAL 79 Cb 0.61 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 3kb3 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kb3 n GLY 80 N 1.68 0.92 3.77 2.92 0.00 0.02 -5.02 105.19 109.48 3kb3 n GLY 80 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3kb3 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kb3 s SER 81 N -2.94 5.70 -0.07 1.61 0.01 -0.57 -4.77 113.70 112.67 3kb3 s SER 81 Ca 0.00 2.29 0.01 0.00 1.31 0.00 0.00 55.95 59.56 3kb3 s SER 81 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.66 3kb3 s SER 81 CO 0.00 -1.24 -0.08 -0.69 0.41 0.00 0.00 173.24 171.64 3kb3 s VAL 82 N -1.64 0.90 0.07 3.43 1.01 -0.34 -0.73 120.40 123.09 3kb3 s VAL 82 Ca 0.71 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.45 3kb3 s VAL 82 Cb -0.28 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3kb3 s VAL 82 CO 0.31 0.32 -0.07 0.00 0.00 0.00 0.00 175.10 175.66 3kb3 s ARG 83 N 1.06 2.33 -0.26 2.72 1.70 0.66 -0.39 118.95 126.76 3kb3 s ARG 83 Ca -0.08 -0.90 -0.08 0.00 -0.47 0.00 0.00 55.73 54.21 3kb3 s ARG 83 Cb -0.14 -2.40 -0.02 0.00 -0.57 0.00 0.00 34.95 31.81 3kb3 s ARG 83 CO -0.01 0.54 0.08 -2.00 -1.08 0.00 0.00 175.30 172.84 3kb3 s GLU 84 N -1.97 3.54 -0.25 3.89 2.56 0.20 -0.68 118.70 126.00 3kb3 s GLU 84 Ca 0.21 -0.56 -0.09 0.00 0.00 0.00 0.00 54.97 54.53 3kb3 s GLU 84 Cb -0.11 -3.36 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 3kb3 s GLU 84 CO 0.13 -0.25 0.13 0.08 -0.56 0.00 0.00 175.26 174.78 3kb3 s VAL 85 N 1.60 4.91 -0.18 3.70 1.01 0.13 -2.17 120.40 129.39 3kb3 s VAL 85 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 3kb3 s VAL 85 Cb -0.16 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3kb3 s VAL 85 CO 0.04 0.33 0.14 -0.89 0.00 0.00 0.00 175.10 174.72 3kb3 s THR 86 N 1.40 5.43 0.27 3.92 2.01 -0.20 -0.40 115.64 128.07 3kb3 s THR 86 Ca 0.06 0.22 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 3kb3 s THR 86 Cb -0.15 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 3kb3 s THR 86 CO 0.06 0.49 0.58 -0.69 -0.69 0.00 0.00 174.62 174.36 3kb3 s VAL 87 N -0.01 4.95 0.76 3.82 1.01 -0.63 0.32 120.40 130.63 3kb3 s VAL 87 Ca 0.10 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 3kb3 s VAL 87 Cb -0.11 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.64 3kb3 s VAL 87 CO -0.00 -0.22 1.15 0.27 0.00 0.00 0.00 175.10 176.29 3kb3 s ILE 88 N -1.99 2.69 0.83 2.22 -0.00 -0.07 -4.56 121.20 120.32 3kb3 s ILE 88 Ca 0.46 0.29 -0.11 0.00 -0.00 0.00 0.00 60.65 61.29 3kb3 s ILE 88 Cb -0.11 -2.71 0.09 0.00 -0.00 0.00 0.00 42.46 39.73 3kb3 s ILE 88 CO 0.26 -0.23 1.10 -0.94 -0.00 0.00 0.00 174.94 175.12 3kb3 s SER 89 N -2.57 3.97 0.00 4.36 1.04 -1.26 -4.03 113.70 115.21 3kb3 s SER 89 Ca 0.68 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3kb3 s SER 89 Cb -0.23 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3kb3 s SER 89 CO 0.49 -2.36 0.00 0.61 0.98 0.00 0.00 173.24 172.96 3kb3 n GLY 90 N -1.01 0.74 3.76 7.32 0.00 -1.26 -5.07 105.19 109.68 3kb3 n GLY 90 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3kb3 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kb3 s LEU 91 N 0.00 3.42 -0.07 0.99 2.01 -1.26 -5.00 118.68 118.77 3kb3 s LEU 91 Ca 0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 54.13 53.49 3kb3 s LEU 91 Cb 0.00 -1.95 -0.16 0.00 0.01 0.00 0.00 46.19 44.09 3kb3 s LEU 91 CO 0.00 -0.23 3.19 -0.81 1.01 0.00 0.00 176.35 179.51 3kb3 n PRO 92 N -1.17 1.88 -3.59 1.29 -0.04 -1.26 -4.77 135.00 127.34 3kb3 n PRO 92 Ca -0.04 -1.03 -0.06 0.00 -0.04 0.00 0.00 63.50 62.33 3kb3 n PRO 92 Cb 0.60 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3kb3 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kb3 s ALA 93 N 0.38 -2.01 0.00 0.55 0.00 -1.26 -4.35 121.76 115.07 3kb3 s ALA 93 Ca 0.53 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.08 3kb3 s ALA 93 Cb 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3kb3 s ALA 93 CO -0.03 -0.44 0.00 -1.13 0.00 0.00 0.00 175.76 174.16 3kb3 n SER 94 N 0.27 1.88 -3.81 0.00 3.41 -0.09 -4.86 113.62 110.42 3kb3 n SER 94 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 3kb3 n SER 94 Cb 0.59 0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 3kb3 n SER 94 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kb3 s THR 95 N -1.37 0.10 -0.10 6.66 -4.23 -1.21 -1.60 115.64 113.89 3kb3 s THR 95 Ca 0.00 -0.82 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 3kb3 s THR 95 Cb 0.00 -0.93 0.03 0.00 1.34 0.00 0.00 72.50 72.94 3kb3 s THR 95 CO 0.00 -0.45 0.27 -0.55 -0.54 0.00 0.00 174.62 173.34 3kb3 s SER 96 N -2.10 -0.28 -0.21 3.99 0.15 0.47 -1.96 113.70 113.77 3kb3 s SER 96 Ca -0.05 0.54 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 3kb3 s SER 96 Cb -0.01 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 3kb3 s SER 96 CO -0.04 -0.09 -0.11 -0.89 1.20 0.00 0.00 173.24 173.31 3kb3 s THR 97 N 0.16 2.72 -0.01 6.45 2.01 -0.36 0.18 115.64 126.79 3kb3 s THR 97 Ca -0.00 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.25 3kb3 s THR 97 Cb -0.02 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3kb3 s THR 97 CO 0.00 0.42 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.60 3kb3 s GLU 98 N 1.37 1.22 -0.00 4.92 2.02 0.15 0.42 118.70 128.78 3kb3 s GLU 98 Ca 0.04 -0.52 0.08 0.00 0.02 0.00 0.00 54.97 54.59 3kb3 s GLU 98 Cb -0.14 -1.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.90 3kb3 s GLU 98 CO -0.08 0.30 -0.24 0.50 0.02 0.00 0.00 175.26 175.77 3kb3 s ARG 99 N -0.30 1.89 -0.28 1.61 3.52 -0.04 -0.24 118.95 125.10 3kb3 s ARG 99 Ca 0.05 -0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 54.53 3kb3 s ARG 99 Cb -0.06 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 3kb3 s ARG 99 CO -0.00 0.51 0.67 -1.17 -0.81 0.00 0.00 175.30 174.49 3kb3 s LEU 100 N -0.72 4.10 -0.23 -0.88 0.20 0.09 -1.24 118.68 120.00 3kb3 s LEU 100 Ca 0.10 0.60 0.06 0.00 0.69 0.00 0.00 54.13 55.58 3kb3 s LEU 100 Cb -0.09 -2.89 -0.19 0.00 -0.43 0.00 0.00 46.19 42.59 3kb3 s LEU 100 CO -0.00 -0.46 -0.14 -0.62 -0.29 0.00 0.00 176.35 174.84 3kb3 n GLU 101 N 5.88 0.68 -3.77 1.98 -0.58 0.29 -0.80 120.64 124.32 3kb3 n GLU 101 Ca 0.00 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 3kb3 n GLU 101 Cb 0.49 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.73 3kb3 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kb3 s PHE 102 N -2.49 -0.26 -0.05 -0.32 5.36 -0.96 -4.83 117.98 114.42 3kb3 s PHE 102 Ca -0.26 0.64 0.01 0.00 -0.96 0.00 0.00 56.93 56.36 3kb3 s PHE 102 Cb 0.08 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 3kb3 s PHE 102 CO 0.64 -0.16 -0.05 0.14 -1.46 0.00 0.00 175.22 174.33 3kb3 s VAL 103 N 0.54 0.62 -0.35 3.12 -7.23 -1.26 -1.16 120.40 114.68 3kb3 s VAL 103 Ca -0.03 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 3kb3 s VAL 103 Cb -0.05 -0.64 0.09 0.00 0.56 0.00 0.00 36.38 36.35 3kb3 s VAL 103 CO -0.03 0.25 0.07 -0.62 -0.31 0.00 0.00 175.10 174.46 3kb3 s ASP 104 N 0.97 4.89 0.46 4.85 -1.08 0.70 -4.99 116.67 122.47 3kb3 s ASP 104 Ca -0.10 -1.94 0.16 0.00 -0.52 0.00 0.00 52.55 50.15 3kb3 s ASP 104 Cb -0.14 -1.69 1.08 0.00 -1.46 0.00 0.00 42.92 40.71 3kb3 s ASP 104 CO -0.00 -0.40 2.02 0.44 0.52 0.00 0.00 175.17 177.75 3kb3 h ASP 105 N 7.80 0.00 -0.06 -0.34 3.45 -1.96 0.30 116.42 125.60 3kb3 h ASP 105 Ca -0.10 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.26 3kb3 h ASP 105 Cb 1.03 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3kb3 h ASP 105 CO 0.57 0.16 -0.37 0.44 -1.57 0.00 0.00 179.24 178.47 3kb3 h ASP 106 N 0.00 0.42 0.15 6.45 3.45 -1.96 -3.16 116.42 121.78 3kb3 h ASP 106 Ca -0.00 -0.67 0.00 0.00 0.43 0.00 0.00 57.03 56.79 3kb3 h ASP 106 Cb 0.30 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3kb3 h ASP 106 CO 0.02 1.03 -0.33 1.41 -1.57 0.00 0.00 179.24 179.80 3kb3 n HIS 107 N -4.39 0.00 -3.09 4.55 8.25 -1.18 -4.98 115.22 114.37 3kb3 n HIS 107 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 3kb3 n HIS 107 Cb 0.53 -0.08 0.05 0.00 1.12 0.00 0.00 29.99 31.61 3kb3 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kb3 n ARG 108 N -0.44 -1.85 -4.70 -0.41 1.74 0.96 -4.39 116.66 107.57 3kb3 n ARG 108 Ca 0.11 1.02 -0.24 0.00 -0.77 0.00 0.00 57.85 57.97 3kb3 n ARG 108 Cb 0.39 -5.57 -0.16 0.00 -1.02 0.00 0.00 32.46 26.10 3kb3 n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kb3 s VAL 109 N -3.25 1.22 -0.00 1.55 1.01 -0.69 -0.44 120.40 119.80 3kb3 s VAL 109 Ca 0.30 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3kb3 s VAL 109 Cb -0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3kb3 s VAL 109 CO 0.70 0.35 -0.03 -0.22 0.00 0.00 0.00 175.10 175.91 3kb3 s LEU 110 N -0.05 2.01 -0.00 3.92 0.20 -0.16 -0.22 118.68 124.38 3kb3 s LEU 110 Ca -0.01 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.79 3kb3 s LEU 110 Cb -0.09 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.53 3kb3 s LEU 110 CO 0.01 0.02 -0.10 -0.55 -0.29 0.00 0.00 176.35 175.45 3kb3 s SER 111 N -0.10 1.14 0.05 3.68 0.15 -0.31 0.44 113.70 118.75 3kb3 s SER 111 Ca 0.01 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 3kb3 s SER 111 Cb -0.01 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 3kb3 s SER 111 CO -0.00 0.11 0.04 0.72 1.20 0.00 0.00 173.24 175.30 3kb3 s PHE 112 N -0.27 0.33 0.07 3.44 -0.12 -0.85 -0.55 117.98 120.04 3kb3 s PHE 112 Ca 0.03 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 3kb3 s PHE 112 Cb -0.04 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.08 3kb3 s PHE 112 CO -0.00 -0.37 -0.07 -0.98 -0.05 0.00 0.00 175.22 173.75 3kb3 s ARG 113 N -3.11 0.71 -0.14 1.99 1.70 -0.37 -1.74 118.95 117.98 3kb3 s ARG 113 Ca -0.01 -1.08 -0.24 0.00 -0.47 0.00 0.00 55.73 53.93 3kb3 s ARG 113 Cb 0.02 -0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.11 3kb3 s ARG 113 CO -0.07 0.02 0.78 0.08 -1.08 0.00 0.00 175.30 175.03 3kb3 s VAL 114 N -2.58 4.94 -1.09 4.99 1.01 0.11 -0.86 120.40 126.91 3kb3 s VAL 114 Ca 0.02 1.54 0.15 0.00 0.00 0.00 0.00 61.98 63.69 3kb3 s VAL 114 Cb -0.02 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 3kb3 s VAL 114 CO -0.02 0.09 0.73 1.33 0.00 0.00 0.00 175.10 177.23 3kb3 n VAL 115 N 4.48 0.00 -3.98 2.92 0.24 0.17 -4.46 118.33 117.70 3kb3 n VAL 115 Ca 0.02 -0.27 0.02 0.00 -2.04 0.00 0.00 64.34 62.08 3kb3 n VAL 115 Cb 0.50 1.11 0.01 0.00 -1.47 0.00 0.00 33.84 33.98 3kb3 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kb3 n GLY 116 N 1.20 0.28 0.00 7.63 0.00 -0.99 -4.96 105.19 108.34 3kb3 n GLY 116 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3kb3 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kb3 n GLY 117 N -0.75 2.31 3.22 -0.02 0.00 -1.26 -1.22 105.19 107.46 3kb3 n GLY 117 Ca 0.04 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3kb3 n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kb3 s GLU 118 N -2.14 2.71 0.13 1.61 2.12 -0.83 -4.94 118.70 117.36 3kb3 s GLU 118 Ca 0.00 -2.00 -0.19 0.00 0.36 0.00 0.00 54.97 53.13 3kb3 s GLU 118 Cb 0.00 -4.00 0.07 0.00 0.26 0.00 0.00 34.13 30.46 3kb3 s GLU 118 CO 0.00 -1.22 0.92 -2.39 -0.54 0.00 0.00 175.26 172.03 3kb3 n HIS 119 N 4.54 -1.09 -0.74 5.30 1.44 -1.26 -0.91 115.22 122.51 3kb3 n HIS 119 Ca -0.02 -1.00 0.07 0.00 -2.01 0.00 0.00 57.72 54.76 3kb3 n HIS 119 Cb 0.41 0.48 0.20 0.00 0.12 0.00 0.00 29.99 31.20 3kb3 n HIS 119 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3kb3 n ARG 120 N -0.65 2.66 -3.30 -1.40 1.74 -1.26 -4.82 116.66 109.64 3kb3 n ARG 120 Ca -0.01 -2.51 -0.35 0.00 -0.77 0.00 0.00 57.85 54.22 3kb3 n ARG 120 Cb 0.50 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 3kb3 n ARG 120 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kb3 n LEU 121 N -0.41 4.87 -4.75 0.55 4.77 -1.26 -4.61 117.00 116.15 3kb3 n LEU 121 Ca 0.17 -5.31 -0.40 0.00 -0.03 0.00 0.00 56.01 50.43 3kb3 n LEU 121 Cb 0.69 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3kb3 n LEU 121 CO 0.10 1.84 0.81 -0.75 -1.33 0.00 0.00 177.39 178.06 3kb3 s LYS 122 N -2.44 4.61 -1.26 3.23 2.36 -1.26 -2.93 119.74 122.05 3kb3 s LYS 122 Ca 0.35 1.82 -0.04 0.00 -2.55 0.00 0.00 55.97 55.54 3kb3 s LYS 122 Cb 0.08 -3.20 0.03 0.00 -1.05 0.00 0.00 37.83 33.69 3kb3 s LYS 122 CO 0.02 0.16 0.30 0.09 1.55 0.00 0.00 175.35 177.46 3kb3 n ASN 123 N 1.42 -4.31 -4.72 1.43 5.03 -1.26 -1.73 115.26 111.11 3kb3 n ASN 123 Ca -0.00 -0.13 -0.42 0.00 0.87 0.00 0.00 54.58 54.90 3kb3 n ASN 123 Cb 0.45 -3.58 -0.03 0.00 -1.02 0.00 0.00 39.78 35.60 3kb3 n ASN 123 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kb3 s TYR 124 N -2.86 2.94 -0.08 3.10 5.04 -1.15 -4.38 117.35 119.96 3kb3 s TYR 124 Ca 0.21 0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 55.27 3kb3 s TYR 124 Cb -0.11 -4.07 0.04 0.00 0.35 0.00 0.00 41.96 38.17 3kb3 s TYR 124 CO 0.26 -3.98 0.20 0.21 -1.34 0.00 0.00 175.55 170.89 3kb3 s LYS 125 N 1.00 0.15 0.16 4.97 2.20 -0.07 -0.71 119.74 127.44 3kb3 s LYS 125 Ca 0.72 0.44 0.06 0.00 -0.36 0.00 0.00 55.97 56.84 3kb3 s LYS 125 Cb -0.48 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 35.66 3kb3 s LYS 125 CO 0.33 -0.16 -0.13 -1.54 -0.36 0.00 0.00 175.35 173.50 3kb3 s SER 126 N 1.17 2.15 -0.06 1.43 1.04 -0.71 -0.59 113.70 118.13 3kb3 s SER 126 Ca -0.09 -0.97 -0.00 0.00 0.48 0.00 0.00 55.95 55.37 3kb3 s SER 126 Cb -0.11 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.97 3kb3 s SER 126 CO -0.07 -0.23 -0.02 -0.69 0.98 0.00 0.00 173.24 173.22 3kb3 s VAL 127 N -2.94 0.42 -0.09 5.02 1.01 -0.38 -2.01 120.40 121.43 3kb3 s VAL 127 Ca 0.17 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3kb3 s VAL 127 Cb -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.87 3kb3 s VAL 127 CO 0.04 0.23 -0.18 -0.89 0.00 0.00 0.00 175.10 174.30 3kb3 s THR 128 N 1.42 1.63 0.12 3.92 2.01 0.17 -1.07 115.64 123.84 3kb3 s THR 128 Ca -0.03 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.31 3kb3 s THR 128 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3kb3 s THR 128 CO -0.03 0.47 -0.25 -0.94 -0.69 0.00 0.00 174.62 173.17 3kb3 s SER 129 N 0.58 3.40 -0.17 3.53 1.04 0.04 -0.99 113.70 121.14 3kb3 s SER 129 Ca -0.15 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3kb3 s SER 129 Cb -0.17 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.70 3kb3 s SER 129 CO 0.05 0.19 -0.11 -0.69 0.98 0.00 0.00 173.24 173.66 3kb3 s VAL 130 N -1.05 1.48 -0.08 5.02 1.01 0.42 -1.75 120.40 125.45 3kb3 s VAL 130 Ca 0.14 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3kb3 s VAL 130 Cb -0.10 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3kb3 s VAL 130 CO 0.06 0.29 -0.18 0.20 0.00 0.00 0.00 175.10 175.47 3kb3 s ASN 131 N 1.49 2.41 0.09 3.32 -0.87 -0.64 -4.64 114.94 116.10 3kb3 s ASN 131 Ca 0.02 -0.42 -0.12 0.00 -1.57 0.00 0.00 52.86 50.77 3kb3 s ASN 131 Cb -0.14 -1.11 -0.06 0.00 -0.02 0.00 0.00 41.25 39.92 3kb3 s ASN 131 CO -0.09 0.09 0.44 -0.70 -2.57 0.00 0.00 177.10 174.27 3kb3 s GLU 132 N 0.51 3.84 0.02 -0.60 2.12 -1.26 -1.02 118.70 122.30 3kb3 s GLU 132 Ca -0.17 0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.49 3kb3 s GLU 132 Cb -0.17 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 3kb3 s GLU 132 CO 0.06 0.55 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.15 3kb3 s PHE 133 N -1.38 1.13 -0.21 5.30 0.08 0.14 -4.99 117.98 118.05 3kb3 s PHE 133 Ca 0.33 -0.30 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 3kb3 s PHE 133 Cb -0.15 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3kb3 s PHE 133 CO 0.18 0.01 0.02 -1.17 -0.10 0.00 0.00 175.22 174.16 3kb3 s LEU 134 N -0.84 3.35 -0.30 -0.37 2.96 -1.26 -0.40 118.68 121.82 3kb3 s LEU 134 Ca 0.02 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 3kb3 s LEU 134 Cb -0.07 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3kb3 s LEU 134 CO 0.01 0.06 1.50 0.21 -1.32 0.00 0.00 176.35 176.81 3kb3 s ASN 135 N 1.06 6.38 0.22 3.68 3.04 0.08 -4.90 114.94 124.50 3kb3 s ASN 135 Ca 0.03 1.27 -0.07 0.00 0.04 0.00 0.00 52.86 54.13 3kb3 s ASN 135 Cb -0.14 -2.54 0.18 0.00 -1.54 0.00 0.00 41.25 37.21 3kb3 s ASN 135 CO 0.02 -1.31 1.80 -0.61 -3.04 0.00 0.00 177.10 173.96 3kb3 h GLN 136 N 10.61 1.21 0.12 0.43 4.15 -1.95 -1.24 115.11 128.44 3kb3 h GLN 136 Ca -0.30 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3kb3 h GLN 136 Cb 1.13 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.61 3kb3 h GLN 136 CO 1.03 0.95 -0.06 0.38 -1.93 0.00 0.00 178.83 179.21 3kb3 h ASP 137 N 1.18 -0.14 0.78 -0.69 2.03 -1.97 -3.36 116.42 114.25 3kb3 h ASP 137 Ca 0.28 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3kb3 h ASP 137 Cb 0.17 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3kb3 h ASP 137 CO -0.03 0.42 0.00 -1.54 -1.03 0.00 0.00 179.24 177.06 3kb3 n SER 138 N -4.86 0.12 0.00 4.15 3.41 -1.24 -4.90 113.62 110.30 3kb3 n SER 138 Ca -0.04 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3kb3 n SER 138 Cb 0.15 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3kb3 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kb3 n GLY 139 N 0.65 1.85 3.73 5.00 0.00 -0.47 -4.98 105.19 110.98 3kb3 n GLY 139 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3kb3 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb3 s LYS 140 N -0.01 4.48 0.24 1.61 -0.14 -1.25 -4.78 119.74 119.90 3kb3 s LYS 140 Ca 0.00 1.05 -0.10 0.00 -1.36 0.00 0.00 55.97 55.55 3kb3 s LYS 140 Cb 0.00 -3.40 -0.07 0.00 -1.68 0.00 0.00 37.83 32.68 3kb3 s LYS 140 CO 0.00 0.19 0.57 0.54 -0.76 0.00 0.00 175.35 175.89 3kb3 s VAL 141 N 0.30 4.90 0.26 3.17 0.11 -1.26 -0.74 120.40 127.14 3kb3 s VAL 141 Ca 0.40 0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 59.93 3kb3 s VAL 141 Cb -0.20 -3.62 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 3kb3 s VAL 141 CO 0.22 -0.08 0.34 -0.72 -3.33 0.00 0.00 175.10 171.53 3kb3 s TYR 142 N -1.83 0.97 0.00 1.54 -0.85 0.47 -4.43 117.35 113.23 3kb3 s TYR 142 Ca 0.48 -1.20 0.05 0.00 -0.52 0.00 0.00 57.07 55.89 3kb3 s TYR 142 Cb -0.11 -0.24 -0.02 0.00 0.38 0.00 0.00 41.96 41.98 3kb3 s TYR 142 CO 0.21 -0.89 -0.17 0.99 -1.52 0.00 0.00 175.55 174.16 3kb3 s THR 143 N -3.76 1.33 -0.21 -3.49 2.01 0.13 0.24 115.64 111.88 3kb3 s THR 143 Ca 0.32 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 3kb3 s THR 143 Cb 0.02 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3kb3 s THR 143 CO 0.15 0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 3kb3 s VAL 144 N -0.52 2.59 -0.23 3.82 1.01 -0.19 0.18 120.40 127.05 3kb3 s VAL 144 Ca 0.06 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 3kb3 s VAL 144 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3kb3 s VAL 144 CO 0.00 0.38 0.36 -0.69 0.00 0.00 0.00 175.10 175.16 3kb3 s VAL 145 N 1.33 5.21 -0.16 2.92 1.01 -0.14 -1.62 120.40 128.95 3kb3 s VAL 145 Ca 0.03 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 3kb3 s VAL 145 Cb -0.15 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3kb3 s VAL 145 CO -0.08 0.23 0.00 -0.76 0.00 0.00 0.00 175.10 174.49 3kb3 s LEU 146 N 1.56 3.48 -0.13 3.92 1.43 -0.72 -0.66 118.68 127.56 3kb3 s LEU 146 Ca 0.16 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3kb3 s LEU 146 Cb -0.15 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3kb3 s LEU 146 CO 0.08 0.19 -0.13 -0.70 0.23 0.00 0.00 176.35 176.02 3kb3 s GLU 147 N 0.27 2.10 0.08 1.70 2.12 -0.18 -0.78 118.70 124.02 3kb3 s GLU 147 Ca -0.00 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.90 3kb3 s GLU 147 Cb -0.13 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 3kb3 s GLU 147 CO 0.02 -0.22 -0.07 -1.54 -0.54 0.00 0.00 175.26 172.91 3kb3 s SER 148 N 1.46 4.56 0.05 -1.70 1.04 -0.23 -0.03 113.70 118.85 3kb3 s SER 148 Ca 0.03 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 3kb3 s SER 148 Cb -0.13 -0.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.99 3kb3 s SER 148 CO -0.09 0.20 -0.03 -0.72 0.98 0.00 0.00 173.24 173.58 3kb3 s TYR 149 N -1.19 0.52 -0.01 5.02 -0.85 -0.61 -1.25 117.35 118.97 3kb3 s TYR 149 Ca 0.21 -1.04 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 3kb3 s TYR 149 Cb -0.11 -0.38 -0.01 0.00 0.38 0.00 0.00 41.96 41.84 3kb3 s TYR 149 CO 0.13 -0.37 -0.09 -0.08 -1.52 0.00 0.00 175.55 173.63 3kb3 s THR 150 N -3.79 0.69 -0.03 -3.49 -1.32 0.25 -2.76 115.64 105.18 3kb3 s THR 150 Ca 0.06 -0.37 -0.19 0.00 -1.21 0.00 0.00 61.69 59.98 3kb3 s THR 150 Cb 0.07 -0.58 0.04 0.00 -1.51 0.00 0.00 72.50 70.52 3kb3 s THR 150 CO -0.09 0.19 0.40 0.54 -2.21 0.00 0.00 174.62 173.45 3kb3 s VAL 151 N -0.20 0.04 0.20 5.08 0.11 -0.53 -0.90 120.40 124.21 3kb3 s VAL 151 Ca 0.03 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 3kb3 s VAL 151 Cb -0.03 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 3kb3 s VAL 151 CO -0.00 -0.19 1.34 -1.81 -3.33 0.00 0.00 175.10 171.10 3kb3 s ASP 152 N -1.25 6.85 0.07 3.54 1.01 -0.71 0.04 116.67 126.21 3kb3 s ASP 152 Ca -0.13 2.45 -0.31 0.00 0.71 0.00 0.00 52.55 55.28 3kb3 s ASP 152 Cb -0.04 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 3kb3 s ASP 152 CO 0.06 -0.56 1.61 -0.63 0.21 0.00 0.00 175.17 175.85 3kb3 s ILE 153 N 0.13 3.11 0.71 0.77 1.01 -0.48 -4.49 121.20 121.96 3kb3 s ILE 153 Ca 0.57 0.57 -0.11 0.00 0.00 0.00 0.00 60.65 61.69 3kb3 s ILE 153 Cb -0.38 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.74 3kb3 s ILE 153 CO 0.39 0.00 1.07 -2.84 0.00 0.00 0.00 174.94 173.56 3kb3 s PRO 154 N 2.49 2.80 0.14 2.79 0.02 -1.26 -4.96 135.00 137.03 3kb3 s PRO 154 Ca 0.72 0.94 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 3kb3 s PRO 154 Cb -0.39 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.06 3kb3 s PRO 154 CO 0.31 -1.19 1.51 -2.00 -0.33 0.00 0.00 177.00 175.30 3kb3 s GLU 155 N -5.04 4.25 0.00 5.54 2.12 -1.26 -2.36 118.70 121.95 3kb3 s GLU 155 Ca 0.59 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.18 3kb3 s GLU 155 Cb -0.14 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3kb3 s GLU 155 CO 0.55 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 3kb3 n GLY 156 N 3.68 0.79 3.49 -1.50 0.00 -1.26 -5.05 105.19 105.34 3kb3 n GLY 156 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3kb3 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kb3 s ASN 157 N -2.77 3.76 0.50 1.61 0.01 -0.99 -5.14 114.94 111.92 3kb3 s ASN 157 Ca 0.00 -0.87 -0.05 0.00 -0.71 0.00 0.00 52.86 51.23 3kb3 s ASN 157 Cb 0.00 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.21 3kb3 s ASN 157 CO 0.00 0.07 0.81 0.28 -1.51 0.00 0.00 177.10 176.75 3kb3 s THR 158 N -2.11 4.74 0.26 1.60 -1.32 -1.26 -4.68 115.64 112.87 3kb3 s THR 158 Ca 0.27 0.19 -0.02 0.00 -1.21 0.00 0.00 61.69 60.91 3kb3 s THR 158 Cb -0.07 -3.81 0.23 0.00 -1.51 0.00 0.00 72.50 67.35 3kb3 s THR 158 CO 0.14 -0.81 1.79 -0.08 -2.21 0.00 0.00 174.62 173.46 3kb3 h GLU 159 N 0.16 0.73 -0.44 7.08 4.81 -1.96 -1.85 114.58 123.11 3kb3 h GLU 159 Ca -0.47 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 3kb3 h GLU 159 Cb 1.21 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3kb3 h GLU 159 CO 0.61 0.48 -0.24 1.05 -0.73 0.00 0.00 179.01 180.18 3kb3 h GLU 160 N 0.75 0.94 -0.24 1.92 9.09 -1.99 -0.32 114.58 124.72 3kb3 h GLU 160 Ca 0.44 -0.43 -0.09 0.00 0.05 0.00 0.00 59.36 59.33 3kb3 h GLU 160 Cb 0.49 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 3kb3 h GLU 160 CO -0.29 1.09 -0.25 -0.44 0.05 0.00 0.00 179.01 179.16 3kb3 h ASP 161 N 0.78 0.47 -0.47 3.06 3.32 -1.92 -1.28 116.42 120.37 3kb3 h ASP 161 Ca 0.09 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 3kb3 h ASP 161 Cb 0.82 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3kb3 h ASP 161 CO 0.07 0.72 -0.20 0.74 -1.72 0.00 0.00 179.24 178.85 3kb3 h THR 162 N 0.41 1.27 -0.57 0.35 2.02 -0.99 -1.64 112.91 113.77 3kb3 h THR 162 Ca 0.06 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 3kb3 h THR 162 Cb 0.66 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3kb3 h THR 162 CO 0.05 0.47 0.01 0.50 0.37 0.00 0.00 175.52 176.91 3kb3 h LYS 163 N 0.82 0.97 -0.02 6.66 3.64 -0.78 -1.92 116.57 125.94 3kb3 h LYS 163 Ca 0.11 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3kb3 h LYS 163 Cb 0.78 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3kb3 h LYS 163 CO 0.06 0.95 0.00 1.98 -2.27 0.00 0.00 179.45 180.18 3kb3 h MET 164 N 0.89 0.03 0.28 1.90 4.05 -1.03 0.12 114.93 121.18 3kb3 h MET 164 Ca 0.17 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3kb3 h MET 164 Cb 0.51 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 3kb3 h MET 164 CO 0.03 0.31 -0.44 0.35 0.23 0.00 0.00 176.91 177.38 3kb3 h PHE 165 N -0.25 -1.24 -0.43 1.39 3.57 -1.21 -0.48 116.94 118.30 3kb3 h PHE 165 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kb3 h PHE 165 Cb 0.29 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3kb3 h PHE 165 CO 0.02 -0.54 0.28 0.28 -2.23 0.00 0.00 178.31 176.12 3kb3 h VAL 166 N -0.75 1.12 -0.73 1.41 2.07 -1.37 -2.57 116.25 115.43 3kb3 h VAL 166 Ca -0.03 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3kb3 h VAL 166 Cb 0.69 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kb3 h VAL 166 CO -0.14 0.12 0.48 0.44 0.02 0.00 0.00 177.57 178.49 3kb3 h ASP 167 N 0.58 0.71 -0.29 0.57 5.19 -0.72 -0.21 116.42 122.25 3kb3 h ASP 167 Ca 0.16 -0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 3kb3 h ASP 167 Cb -0.05 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 3kb3 h ASP 167 CO -0.03 0.47 0.09 0.74 -3.12 0.00 0.00 179.24 177.39 3kb3 h THR 168 N 0.82 0.91 0.08 0.35 2.02 -0.69 -1.28 112.91 115.12 3kb3 h THR 168 Ca 0.31 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3kb3 h THR 168 Cb 0.18 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3kb3 h THR 168 CO -0.10 0.04 -0.04 0.58 0.37 0.00 0.00 175.52 176.37 3kb3 h VAL 169 N 0.22 1.15 -0.84 3.16 2.07 -1.15 -2.56 116.25 118.30 3kb3 h VAL 169 Ca 0.13 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3kb3 h VAL 169 Cb 0.11 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3kb3 h VAL 169 CO -0.14 0.22 0.50 0.58 0.02 0.00 0.00 177.57 178.74 3kb3 h VAL 170 N -0.52 1.24 -0.46 2.57 2.07 -1.05 -0.91 116.25 119.18 3kb3 h VAL 170 Ca -0.01 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3kb3 h VAL 170 Cb 0.44 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3kb3 h VAL 170 CO 0.02 0.25 0.04 0.50 0.02 0.00 0.00 177.57 178.40 3kb3 h LYS 171 N 1.16 0.79 -0.55 1.57 1.63 -1.26 0.52 116.57 120.41 3kb3 h LYS 171 Ca 0.30 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3kb3 h LYS 171 Cb -0.03 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 3kb3 h LYS 171 CO -0.06 0.82 0.30 1.25 -3.45 0.00 0.00 179.45 178.32 3kb3 h LEU 172 N 0.64 0.45 -0.17 5.20 5.85 -1.11 -1.11 115.31 125.07 3kb3 h LEU 172 Ca 0.14 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kb3 h LEU 172 Cb 0.44 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3kb3 h LEU 172 CO 0.02 0.31 0.08 0.78 -0.34 0.00 0.00 178.44 179.28 3kb3 h ASN 173 N 0.58 0.21 -0.52 1.25 2.35 -0.60 -0.50 115.58 118.35 3kb3 h ASN 173 Ca 0.24 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3kb3 h ASN 173 Cb 0.12 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3kb3 h ASN 173 CO -0.15 0.26 0.20 -0.07 -1.65 0.00 0.00 177.43 176.02 3kb3 h LEU 174 N 0.15 0.77 -0.55 1.61 3.38 -0.60 0.36 115.31 120.43 3kb3 h LEU 174 Ca 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kb3 h LEU 174 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3kb3 h LEU 174 CO -0.01 0.71 0.27 1.56 0.09 0.00 0.00 178.44 181.06 3kb3 h GLN 175 N 0.82 0.79 0.00 1.13 4.20 -0.36 -0.08 115.11 121.62 3kb3 h GLN 175 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3kb3 h GLN 175 Cb 0.20 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3kb3 h GLN 175 CO -0.01 0.65 -0.03 0.87 -0.67 0.00 0.00 178.83 179.63 3kb3 h LYS 176 N 0.74 0.00 -0.50 1.46 1.79 -0.75 -2.01 116.57 117.30 3kb3 h LYS 176 Ca 0.19 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.53 3kb3 h LYS 176 Cb 0.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3kb3 h LYS 176 CO -0.02 0.03 -0.17 1.25 -1.08 0.00 0.00 179.45 179.46 3kb3 h LEU 177 N 0.00 1.03 -0.57 2.94 5.85 -0.18 -1.10 115.31 123.27 3kb3 h LEU 177 Ca -0.00 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3kb3 h LEU 177 Cb 0.82 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3kb3 h LEU 177 CO 0.00 1.17 0.23 1.23 -0.34 0.00 0.00 178.44 180.73 3kb3 h GLY 178 N 0.87 0.91 0.95 3.75 0.00 -0.46 -1.20 103.07 107.89 3kb3 h GLY 178 Ca 0.12 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kb3 h GLY 178 CO 0.06 0.47 0.08 -2.08 0.00 0.00 0.00 176.54 175.07 3kb3 h VAL 179 N 0.78 1.08 -0.26 4.60 2.07 -1.10 -0.46 116.25 122.97 3kb3 h VAL 179 Ca 0.19 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kb3 h VAL 179 Cb 0.20 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3kb3 h VAL 179 CO -0.02 0.07 0.15 0.00 0.02 0.00 0.00 177.57 177.80 3kb3 h ALA 180 N 1.00 0.33 -0.96 1.67 0.00 -1.08 0.17 119.26 120.39 3kb3 h ALA 180 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kb3 h ALA 180 Cb 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3kb3 h ALA 180 CO -0.01 -0.17 0.63 0.00 0.00 0.00 0.00 179.25 179.71 3kb3 h ALA 181 N 1.05 1.36 0.00 0.00 0.00 -1.14 -0.38 119.26 120.14 3kb3 h ALA 181 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kb3 h ALA 181 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3kb3 h ALA 181 CO -0.02 0.57 -0.81 0.00 0.00 0.00 0.00 179.25 178.99 3kb3 h THR 182 N 1.24 0.00 0.00 0.00 1.03 -0.80 -3.43 112.91 110.96 3kb3 h THR 182 Ca 0.37 -0.94 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 3kb3 h THR 182 Cb -0.05 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 3kb3 h THR 182 CO -0.10 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 173.87 3kb3 n SER 183 N -2.67 0.00 -4.74 0.00 3.41 0.02 -5.07 113.62 104.57 3kb3 n SER 183 Ca 0.01 -1.00 -0.27 0.00 -0.26 0.00 0.00 58.87 57.35 3kb3 n SER 183 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3kb3 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kb3 s ALA 184 N 0.00 3.43 0.44 7.33 0.00 -0.16 -5.00 121.76 127.80 3kb3 s ALA 184 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.48 3kb3 s ALA 184 Cb 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 3kb3 s ALA 184 CO 0.00 0.54 1.32 -2.30 0.00 0.00 0.00 175.76 175.32 3kb3 n PRO 185 N -0.12 1.99 -1.18 0.00 -0.02 -1.26 -4.80 135.00 129.61 3kb3 n PRO 185 Ca -0.09 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 3kb3 n PRO 185 Cb 0.54 -2.46 0.11 0.00 -0.02 0.00 0.00 33.50 31.67 3kb3 n PRO 185 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3kb3 s MET 186 N -2.33 1.93 0.37 -0.52 -1.94 -1.26 -4.99 119.30 110.57 3kb3 s MET 186 Ca 0.62 1.41 -0.28 0.00 -1.71 0.00 0.00 55.69 55.73 3kb3 s MET 186 Cb -0.48 -1.84 -0.10 0.00 2.01 0.00 0.00 34.83 34.41 3kb3 s MET 186 CO 0.57 -1.92 1.39 -1.58 -0.01 0.00 0.00 175.02 173.47 3kb3 s HIS 187 N -2.61 2.77 0.00 -0.03 2.46 -1.26 -5.24 115.29 111.39 3kb3 s HIS 187 Ca 0.66 1.29 0.00 0.00 0.47 0.00 0.00 55.06 57.48 3kb3 s HIS 187 Cb -0.21 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 3kb3 s HIS 187 CO 0.53 -2.47 0.00 -0.25 -2.47 0.00 0.00 174.74 170.08