#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdx s SER 2 N 0.00 3.95 -0.73 1.61 0.01 -1.26 -5.07 113.70 112.21 2kdx s SER 2 Ca 0.00 -2.91 -0.26 0.00 1.31 0.00 0.00 55.95 54.09 2kdx s SER 2 Cb 0.00 -1.31 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2kdx s SER 2 CO 0.00 -0.23 2.05 -0.04 0.41 0.00 0.00 173.24 175.43 2kdx s MET 3 N -0.09 2.37 0.00 12.44 1.00 -1.26 -4.57 119.30 129.20 2kdx s MET 3 Ca 0.19 0.37 0.00 0.00 0.00 0.00 0.00 55.69 56.25 2kdx s MET 3 Cb -0.22 -4.72 0.00 0.00 0.00 0.00 0.00 34.83 29.89 2kdx s MET 3 CO -0.02 -3.30 0.00 -2.39 0.00 0.00 0.00 175.02 169.31 2kdx n HIS 4 N 14.52 0.00 0.19 -0.03 -0.00 -1.26 -4.86 115.22 123.78 2kdx n HIS 4 Ca 0.34 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.19 2kdx n HIS 4 Cb 0.49 0.00 0.70 0.00 -0.00 0.00 0.00 29.99 31.18 2kdx n HIS 4 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2kdx h GLU 5 N 0.00 0.00 0.00 -1.40 4.11 -2.06 -1.64 114.58 113.59 2kdx h GLU 5 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kdx h GLU 5 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kdx h GLU 5 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2kdx n TYR 6 N -4.36 0.00 0.02 2.06 4.01 -1.26 -3.65 117.16 113.97 2kdx n TYR 6 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 2kdx n TYR 6 Cb 0.25 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 2kdx n TYR 6 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kdx h SER 7 N 0.00 -0.48 -0.06 7.72 0.87 -1.65 -0.43 113.55 119.52 2kdx h SER 7 Ca 0.00 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2kdx h SER 7 Cb 0.17 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2kdx h SER 7 CO 0.00 -0.21 -0.06 0.58 -0.53 0.00 0.00 176.83 176.61 2kdx h VAL 8 N -0.21 0.82 0.79 2.23 2.07 -1.81 -2.17 116.25 117.96 2kdx h VAL 8 Ca 0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 2kdx h VAL 8 Cb 0.33 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2kdx h VAL 8 CO -0.22 0.00 -0.41 0.58 0.02 0.00 0.00 177.57 177.55 2kdx h VAL 9 N -0.08 0.17 -0.76 2.57 2.07 -1.65 0.52 116.25 119.09 2kdx h VAL 9 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2kdx h VAL 9 Cb 0.15 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 2kdx h VAL 9 CO -0.11 0.00 0.46 -1.28 0.02 0.00 0.00 177.57 176.66 2kdx h SER 10 N -1.10 0.71 -0.14 0.57 0.87 -1.18 -2.41 113.55 110.89 2kdx h SER 10 Ca -0.11 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2kdx h SER 10 Cb 0.85 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2kdx h SER 10 CO 0.16 0.47 0.07 -1.28 -0.53 0.00 0.00 176.83 175.71 2kdx h SER 11 N 0.85 0.18 -0.06 6.23 0.87 -1.09 -0.44 113.55 120.10 2kdx h SER 11 Ca 0.33 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2kdx h SER 11 Cb 0.15 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2kdx h SER 11 CO -0.16 0.24 -0.28 0.25 -0.53 0.00 0.00 176.83 176.35 2kdx h LEU 12 N 0.11 -0.84 -0.11 2.23 7.12 -0.76 -0.97 115.31 122.08 2kdx h LEU 12 Ca 0.05 0.12 0.02 0.00 0.13 0.00 0.00 57.88 58.20 2kdx h LEU 12 Cb 0.11 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2kdx h LEU 12 CO -0.01 -0.34 -0.02 0.40 -0.13 0.00 0.00 178.44 178.35 2kdx h ILE 13 N -0.39 0.90 -0.28 4.05 2.04 -1.36 -0.94 117.51 121.54 2kdx h ILE 13 Ca 0.08 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2kdx h ILE 13 Cb 0.50 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2kdx h ILE 13 CO -0.28 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.04 2kdx h ALA 14 N 1.10 0.34 -0.20 1.87 0.00 -0.79 0.25 119.26 121.84 2kdx h ALA 14 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kdx h ALA 14 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kdx h ALA 14 CO -0.11 -0.20 0.08 -0.07 0.00 0.00 0.00 179.25 178.95 2kdx h LEU 15 N 0.35 0.28 -0.38 0.00 -0.00 -1.14 -1.26 115.31 113.16 2kdx h LEU 15 Ca 0.10 -0.17 0.07 0.00 -0.00 0.00 0.00 57.88 57.88 2kdx h LEU 15 Cb -0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 40.51 2kdx h LEU 15 CO -0.04 0.37 0.02 0.00 -0.00 0.00 0.00 178.44 178.79 2kdx h GLU 17 N 0.13 -0.87 -0.44 0.00 4.81 -0.89 -2.29 114.58 115.03 2kdx h GLU 17 Ca 0.19 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2kdx h GLU 17 Cb 0.25 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 2kdx h GLU 17 CO -0.29 -0.58 0.12 0.93 -0.73 0.00 0.00 179.01 178.46 2kdx h GLU 18 N -0.90 0.27 -0.71 1.92 4.39 -0.94 -1.28 114.58 117.33 2kdx h GLU 18 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kdx h GLU 18 Cb 0.82 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2kdx h GLU 18 CO -0.14 0.18 0.45 0.45 -1.16 0.00 0.00 179.01 178.79 2kdx h HIS 19 N 0.27 0.90 -0.09 4.33 3.86 -1.22 -1.68 115.15 121.54 2kdx h HIS 19 Ca 0.21 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2kdx h HIS 19 Cb 0.24 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2kdx h HIS 19 CO -0.18 0.59 0.02 0.00 0.86 0.00 0.00 177.93 179.21 2kdx h ALA 20 N 1.24 0.12 0.00 2.45 0.00 -0.76 -0.83 119.26 121.48 2kdx h ALA 20 Ca 0.26 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kdx h ALA 20 Cb -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kdx h ALA 20 CO -0.05 -0.24 -0.20 1.57 0.00 0.00 0.00 179.25 180.32 2kdx h LYS 21 N -0.08 0.00 -0.22 0.00 2.10 -1.25 0.12 116.57 117.23 2kdx h LYS 21 Ca 0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.55 2kdx h LYS 21 Cb 0.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2kdx h LYS 21 CO 0.00 0.20 -0.37 -0.22 -2.00 0.00 0.00 179.45 177.06 2kdx h LYS 22 N 0.00 0.64 0.00 0.07 1.63 -1.11 -3.14 116.57 114.66 2kdx h LYS 22 Ca -0.00 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2kdx h LYS 22 Cb 0.49 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2kdx h LYS 22 CO 0.03 1.01 0.00 -1.71 -3.45 0.00 0.00 179.45 175.33 2kdx n ASN 23 N -4.25 0.00 -1.75 4.20 2.85 -0.33 -4.92 115.26 111.06 2kdx n ASN 23 Ca -0.05 -0.41 -0.19 0.00 -0.11 0.00 0.00 54.58 53.81 2kdx n ASN 23 Cb 0.52 -0.19 -0.05 0.00 1.24 0.00 0.00 39.78 41.30 2kdx n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kdx n GLN 24 N -1.19 -1.41 0.03 1.20 1.13 -0.37 -4.93 117.38 111.84 2kdx n GLN 24 Ca 0.17 1.08 -0.19 0.00 -1.94 0.00 0.00 57.00 56.12 2kdx n GLN 24 Cb 0.19 -5.49 -0.13 0.00 0.11 0.00 0.00 30.24 24.92 2kdx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kdx h ALA 25 N 0.36 -0.01 0.00 -1.58 0.00 -1.13 -3.48 119.26 113.42 2kdx h ALA 25 Ca -0.42 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2kdx h ALA 25 Cb 1.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kdx h ALA 25 CO 0.56 0.40 0.00 0.72 0.00 0.00 0.00 179.25 180.93 2kdx n HIS 26 N -4.13 0.00 -3.86 0.00 8.25 -1.23 -4.87 115.22 109.38 2kdx n HIS 26 Ca -0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.27 2kdx n HIS 26 Cb 0.77 -1.58 -0.02 0.00 1.12 0.00 0.00 29.99 30.28 2kdx n HIS 26 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2kdx s LYS 27 N -1.33 1.79 0.12 -0.41 -2.85 -1.26 -3.83 119.74 111.96 2kdx s LYS 27 Ca 0.00 -1.00 0.06 0.00 -1.00 0.00 0.00 55.97 54.03 2kdx s LYS 27 Cb 0.00 0.61 -0.04 0.00 -2.06 0.00 0.00 37.83 36.34 2kdx s LYS 27 CO 0.00 -0.82 -0.14 0.42 0.10 0.00 0.00 175.35 174.91 2kdx s ILE 28 N -3.87 1.32 -0.04 3.79 -1.09 -0.93 -4.70 121.20 115.68 2kdx s ILE 28 Ca 0.11 -1.67 -0.02 0.00 -2.23 0.00 0.00 60.65 56.84 2kdx s ILE 28 Cb -0.06 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.33 2kdx s ILE 28 CO 0.07 -0.38 -0.04 -0.08 -1.23 0.00 0.00 174.94 173.28 2kdx h GLU 29 N 3.62 0.00 -4.18 2.79 4.22 -1.11 -3.39 114.58 116.52 2kdx h GLU 29 Ca -0.40 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.88 2kdx h GLU 29 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.32 2kdx h GLU 29 CO 0.49 0.00 -0.41 1.03 -2.18 0.00 0.00 179.01 177.94 2kdx s ARG 30 N -1.32 1.34 -0.07 1.92 0.52 -1.04 -3.18 118.95 117.12 2kdx s ARG 30 Ca -0.03 -1.46 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 2kdx s ARG 30 Cb 0.00 0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.85 2kdx s ARG 30 CO 0.05 -0.49 -0.06 0.08 0.02 0.00 0.00 175.30 174.90 2kdx s VAL 31 N -4.10 0.75 -0.22 3.52 1.01 -0.12 -0.52 120.40 120.73 2kdx s VAL 31 Ca 0.31 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2kdx s VAL 31 Cb 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2kdx s VAL 31 CO 0.10 0.29 0.14 -0.69 0.00 0.00 0.00 175.10 174.94 2kdx s VAL 32 N 1.20 5.37 -0.09 2.92 1.01 0.17 -0.73 120.40 130.25 2kdx s VAL 32 Ca -0.06 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2kdx s VAL 32 Cb -0.14 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2kdx s VAL 32 CO -0.02 0.40 -0.06 -0.69 0.00 0.00 0.00 175.10 174.73 2kdx s VAL 33 N 0.66 0.83 -0.00 2.92 1.01 -0.45 -0.73 120.40 124.63 2kdx s VAL 33 Ca 0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 2kdx s VAL 33 Cb -0.12 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 2kdx s VAL 33 CO 0.01 0.32 0.50 -0.83 0.00 0.00 0.00 175.10 175.10 2kdx s GLY 34 N 1.51 2.54 -0.03 4.51 0.00 0.11 -0.77 107.32 115.19 2kdx s GLY 34 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.63 2kdx s GLY 34 CO -0.05 0.47 -0.04 -0.42 0.00 0.00 0.00 173.10 173.06 2kdx s ILE 35 N -0.59 0.48 0.19 0.90 1.01 0.04 -1.64 121.20 121.58 2kdx s ILE 35 Ca 0.27 -0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.48 2kdx s ILE 35 Cb -0.17 -0.49 -0.11 0.00 0.01 0.00 0.00 42.46 41.69 2kdx s ILE 35 CO 0.15 0.20 1.74 -0.83 0.00 0.00 0.00 174.94 176.20 2kdx s GLY 36 N 0.73 1.26 0.51 6.18 0.00 -1.26 -0.68 107.32 114.06 2kdx s GLY 36 Ca -0.09 1.55 0.33 0.00 0.00 0.00 0.00 44.72 46.50 2kdx s GLY 36 CO -0.00 2.93 1.97 1.05 0.00 0.00 0.00 173.10 179.04 2kdx h GLU 37 N 7.21 0.00 -0.01 2.90 4.11 -1.22 -1.86 114.58 125.71 2kdx h GLU 37 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kdx h GLU 37 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kdx h GLU 37 CO 0.95 0.00 -0.39 0.54 0.07 0.00 0.00 179.01 180.18 2kdx n ARG 38 N -2.92 1.50 0.10 1.06 5.12 -1.26 -4.51 116.66 115.75 2kdx n ARG 38 Ca 0.00 -0.88 0.13 0.00 -1.93 0.00 0.00 57.85 55.17 2kdx n ARG 38 Cb 0.26 -1.35 0.43 0.00 -1.16 0.00 0.00 32.46 30.64 2kdx n ARG 38 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2kdx n SER 39 N -0.09 0.72 -1.02 0.55 7.64 -0.70 -4.95 113.62 115.77 2kdx n SER 39 Ca 0.08 0.58 -0.12 0.00 1.01 0.00 0.00 58.87 60.42 2kdx n SER 39 Cb 0.39 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 2kdx n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kdx n ALA 40 N -1.76 -0.18 -1.88 -0.43 0.00 -1.25 -4.96 120.51 110.06 2kdx n ALA 40 Ca 0.05 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 2kdx n ALA 40 Cb 0.40 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 2kdx n ALA 40 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kdx s MET 41 N -2.85 4.30 -1.03 0.00 -1.94 -1.26 -4.92 119.30 111.60 2kdx s MET 41 Ca 0.00 2.24 -0.23 0.00 -1.71 0.00 0.00 55.69 55.99 2kdx s MET 41 Cb 0.00 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.70 2kdx s MET 41 CO 0.00 -0.34 1.82 -0.51 -0.01 0.00 0.00 175.02 175.98 2kdx s ASP 42 N 0.18 5.55 0.58 3.03 1.01 -1.26 -4.85 116.67 120.91 2kdx s ASP 42 Ca 0.57 -1.22 0.28 0.00 0.71 0.00 0.00 52.55 52.88 2kdx s ASP 42 Cb -0.41 -2.57 1.56 0.00 1.01 0.00 0.00 42.92 42.51 2kdx s ASP 42 CO 0.45 -2.42 2.04 0.07 0.21 0.00 0.00 175.17 175.52 2kdx h LYS 43 N 10.29 0.00 -0.92 8.23 -0.00 -2.00 -1.28 116.57 130.88 2kdx h LYS 43 Ca 0.18 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.88 2kdx h LYS 43 Cb 0.98 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.15 2kdx h LYS 43 CO 1.28 0.00 0.60 1.03 -0.00 0.00 0.00 179.45 182.36 2kdx h SER 44 N 0.00 0.96 -0.34 7.07 0.87 -2.01 -1.70 113.55 118.40 2kdx h SER 44 Ca 0.14 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2kdx h SER 44 Cb 0.69 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2kdx h SER 44 CO -0.00 0.63 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.80 2kdx h LEU 45 N 1.10 0.64 0.33 2.23 3.38 -1.64 -3.00 115.31 118.34 2kdx h LEU 45 Ca 0.38 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2kdx h LEU 45 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kdx h LEU 45 CO -0.13 0.84 -0.16 0.15 0.09 0.00 0.00 178.44 179.22 2kdx h PHE 46 N 0.43 -0.42 -0.75 1.13 3.57 -1.29 0.90 116.94 120.52 2kdx h PHE 46 Ca 0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2kdx h PHE 46 Cb 0.54 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2kdx h PHE 46 CO 0.05 -0.26 0.41 -0.24 -2.23 0.00 0.00 178.31 176.04 2kdx h VAL 47 N -0.45 1.23 -0.24 1.41 3.04 -1.55 -1.65 116.25 118.04 2kdx h VAL 47 Ca -0.04 -0.56 -0.03 0.00 -1.01 0.00 0.00 66.70 65.05 2kdx h VAL 47 Cb 0.35 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 2kdx h VAL 47 CO 0.07 0.25 0.01 -1.28 -1.01 0.00 0.00 177.57 175.62 2kdx h SER 48 N 1.03 0.32 -0.17 3.17 0.87 -1.31 0.07 113.55 117.53 2kdx h SER 48 Ca 0.26 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2kdx h SER 48 Cb 0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kdx h SER 48 CO -0.04 0.37 -0.13 0.00 -0.53 0.00 0.00 176.83 176.50 2kdx h ALA 49 N 1.68 0.24 -0.12 6.23 0.00 -0.40 -1.18 119.26 125.71 2kdx h ALA 49 Ca 0.08 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2kdx h ALA 49 Cb 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2kdx h ALA 49 CO 0.00 0.11 -0.29 0.35 0.00 0.00 0.00 179.25 179.42 2kdx h PHE 50 N 0.04 -0.79 0.00 0.00 3.57 -0.81 -1.48 116.94 117.46 2kdx h PHE 50 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kdx h PHE 50 Cb 0.64 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2kdx h PHE 50 CO 0.08 -0.37 0.00 1.05 -2.23 0.00 0.00 178.31 176.83 2kdx h GLU 51 N -0.37 0.00 0.43 1.11 4.11 -0.97 -0.63 114.58 118.25 2kdx h GLU 51 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.50 2kdx h GLU 51 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kdx h GLU 51 CO -0.33 0.00 -0.20 1.15 0.07 0.00 0.00 179.01 179.70 2kdx h THR 52 N 0.00 0.41 0.00 -1.06 2.02 -0.94 -3.34 112.91 110.00 2kdx h THR 52 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2kdx h THR 52 Cb 0.56 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2kdx h THR 52 CO 0.00 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.45 2kdx n PHE 53 N -5.19 0.00 -0.20 3.16 3.72 -0.58 -4.17 117.46 114.19 2kdx n PHE 53 Ca -0.10 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.58 2kdx n PHE 53 Cb 0.29 -0.48 0.70 0.00 -0.94 0.00 0.00 39.48 39.04 2kdx n PHE 53 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2kdx h ARG 54 N 0.00 0.06 -0.93 -1.08 0.11 -1.25 -2.05 114.38 109.23 2kdx h ARG 54 Ca 0.00 -0.00 0.26 0.00 0.10 0.00 0.00 59.98 60.34 2kdx h ARG 54 Cb 0.41 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.43 2kdx h ARG 54 CO 0.00 0.04 0.66 0.93 0.10 0.00 0.00 179.97 181.70 2kdx h GLU 55 N 0.06 0.06 0.00 0.08 4.39 -1.84 -1.24 114.58 116.09 2kdx h GLU 55 Ca 0.45 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2kdx h GLU 55 Cb 1.69 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2kdx h GLU 55 CO -0.03 0.04 0.00 1.49 -1.16 0.00 0.00 179.01 179.34 2kdx h GLU 56 N 0.06 0.00 -3.60 2.33 4.81 -1.71 -3.42 114.58 113.04 2kdx h GLU 56 Ca 0.45 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.32 2kdx h GLU 56 Cb 1.70 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.72 2kdx h GLU 56 CO -0.04 0.00 -0.75 0.45 -0.73 0.00 0.00 179.01 177.94 2kdx s SER 57 N -4.53 0.80 0.40 1.04 0.15 -0.47 -5.05 113.70 106.05 2kdx s SER 57 Ca -0.02 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.71 2kdx s SER 57 Cb 0.09 -0.23 0.87 0.00 -1.71 0.00 0.00 66.02 65.03 2kdx s SER 57 CO 0.32 -0.16 2.02 -0.07 1.20 0.00 0.00 173.24 176.55 2kdx h LEU 58 N 7.76 0.49 -0.38 3.45 -0.00 -1.83 -2.43 115.31 122.38 2kdx h LEU 58 Ca -0.31 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.38 2kdx h LEU 58 Cb 1.13 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2kdx h LEU 58 CO 0.35 0.34 -0.81 -0.37 -0.00 0.00 0.00 178.44 177.96 2kdx h VAL 59 N 0.57 1.47 0.00 1.22 -1.51 -1.92 -3.26 116.25 112.83 2kdx h VAL 59 Ca 0.21 -2.47 -0.06 0.00 -1.23 0.00 0.00 66.70 63.15 2kdx h VAL 59 Cb 0.12 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 2kdx h VAL 59 CO -0.05 0.72 -0.29 0.00 -1.23 0.00 0.00 177.57 176.71 2kdx n LYS 61 N -3.27 0.16 -3.54 0.00 5.02 -1.03 -3.53 118.16 111.97 2kdx n LYS 61 Ca 0.02 0.44 -0.27 0.00 -2.02 0.00 0.00 58.31 56.48 2kdx n LYS 61 Cb 0.57 -1.84 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 2kdx n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kdx n ASP 62 N -2.16 1.64 -3.84 4.39 8.00 -1.17 -5.09 116.55 118.32 2kdx n ASP 62 Ca 0.02 -2.92 -0.09 0.00 0.71 0.00 0.00 54.79 52.50 2kdx n ASP 62 Cb 0.19 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 2kdx n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdx s ALA 63 N -1.15 -0.67 0.06 2.24 0.00 -1.23 -2.19 121.76 118.81 2kdx s ALA 63 Ca 0.32 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2kdx s ALA 63 Cb 0.05 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 2kdx s ALA 63 CO -0.14 -0.81 -0.09 0.42 0.00 0.00 0.00 175.76 175.14 2kdx s ILE 64 N -3.92 0.68 -0.27 0.00 1.01 -1.19 -5.01 121.20 112.50 2kdx s ILE 64 Ca 0.13 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.55 2kdx s ILE 64 Cb -0.01 -0.85 0.05 0.00 0.01 0.00 0.00 42.46 41.67 2kdx s ILE 64 CO 0.01 -0.42 -0.09 -0.22 0.00 0.00 0.00 174.94 174.23 2kdx s LEU 65 N -1.82 3.49 -0.46 2.97 0.20 -1.26 -0.94 118.68 120.86 2kdx s LEU 65 Ca -0.05 -1.31 -0.19 0.00 0.69 0.00 0.00 54.13 53.26 2kdx s LEU 65 Cb -0.08 -1.59 0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2kdx s LEU 65 CO 0.00 -0.20 0.59 -1.81 -0.29 0.00 0.00 176.35 174.64 2kdx s ASP 66 N 1.16 6.26 0.32 3.68 1.11 0.09 -4.98 116.67 124.31 2kdx s ASP 66 Ca -0.07 -0.63 -0.29 0.00 0.18 0.00 0.00 52.55 51.75 2kdx s ASP 66 Cb -0.19 -2.29 -0.10 0.00 1.07 0.00 0.00 42.92 41.41 2kdx s ASP 66 CO -0.04 -0.77 1.25 -0.63 1.18 0.00 0.00 175.17 176.16 2kdx s ILE 67 N 2.59 2.91 -0.10 0.77 -1.09 -1.26 -1.34 121.20 123.68 2kdx s ILE 67 Ca 0.17 0.92 0.01 0.00 -2.23 0.00 0.00 60.65 59.52 2kdx s ILE 67 Cb -0.17 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 2kdx s ILE 67 CO 0.15 0.22 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.28 2kdx s VAL 68 N -1.15 1.14 -0.79 2.92 1.01 0.05 -4.90 120.40 118.67 2kdx s VAL 68 Ca 0.48 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 2kdx s VAL 68 Cb -0.38 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2kdx s VAL 68 CO 0.50 0.37 1.51 -1.81 0.00 0.00 0.00 175.10 175.67 2kdx s ASP 69 N 1.27 5.94 0.43 3.32 1.01 -1.26 -0.78 116.67 126.61 2kdx s ASP 69 Ca -0.03 -0.53 -0.25 0.00 0.71 0.00 0.00 52.55 52.46 2kdx s ASP 69 Cb -0.14 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.16 2kdx s ASP 69 CO -0.04 -1.97 1.24 -1.61 0.21 0.00 0.00 175.17 173.00 2kdx s GLU 70 N 5.97 3.84 1.00 8.23 2.02 0.15 -4.83 118.70 135.09 2kdx s GLU 70 Ca 0.48 1.98 -0.11 0.00 0.02 0.00 0.00 54.97 57.34 2kdx s GLU 70 Cb -0.07 -2.59 0.19 0.00 0.10 0.00 0.00 34.13 31.76 2kdx s GLU 70 CO 0.09 -0.54 1.09 -1.59 0.02 0.00 0.00 175.26 174.33 2kdx s LYS 71 N -2.45 0.33 0.29 1.61 0.00 -1.26 -0.79 119.74 117.47 2kdx s LYS 71 Ca 0.60 1.20 0.11 0.00 0.00 0.00 0.00 55.97 57.88 2kdx s LYS 71 Cb -0.34 -1.67 -0.05 0.00 0.00 0.00 0.00 37.83 35.77 2kdx s LYS 71 CO 0.42 -2.98 -0.16 0.14 0.00 0.00 0.00 175.35 172.77 2kdx s VAL 72 N -2.61 2.57 -0.15 1.79 -7.23 -1.26 -4.37 120.40 109.14 2kdx s VAL 72 Ca 0.67 -2.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.28 2kdx s VAL 72 Cb -0.23 -2.40 0.06 0.00 0.56 0.00 0.00 36.38 34.37 2kdx s VAL 72 CO 0.60 -0.37 0.60 -0.70 -0.31 0.00 0.00 175.10 174.92 2kdx s GLU 73 N -3.54 0.82 -0.12 4.82 2.56 -0.90 -4.81 118.70 117.53 2kdx s GLU 73 Ca 0.31 0.56 0.02 0.00 0.00 0.00 0.00 54.97 55.85 2kdx s GLU 73 Cb -0.04 0.39 0.01 0.00 2.00 0.00 0.00 34.13 36.49 2kdx s GLU 73 CO 0.16 -0.17 -0.17 -0.51 -0.56 0.00 0.00 175.26 174.01 2kdx s LEU 74 N -0.33 1.82 0.23 2.70 1.02 0.10 -0.80 118.68 123.41 2kdx s LEU 74 Ca -0.05 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.62 2kdx s LEU 74 Cb -0.03 -1.19 -0.04 0.00 0.02 0.00 0.00 46.19 44.95 2kdx s LEU 74 CO 0.04 0.02 0.41 -1.83 0.02 0.00 0.00 176.35 175.02 2kdx s GLU 75 N 1.01 3.50 0.45 1.70 -1.05 -0.28 -1.22 118.70 122.81 2kdx s GLU 75 Ca -0.05 -0.39 -0.12 0.00 -0.15 0.00 0.00 54.97 54.26 2kdx s GLU 75 Cb -0.15 -2.82 -0.07 0.00 -0.44 0.00 0.00 34.13 30.66 2kdx s GLU 75 CO -0.03 0.36 0.84 0.00 0.95 0.00 0.00 175.26 177.39 2kdx n LYS 77 N -1.47 0.00 -2.86 0.00 4.76 -1.26 -4.52 118.16 112.81 2kdx n LYS 77 Ca 0.04 0.49 -0.30 0.00 -2.87 0.00 0.00 58.31 55.66 2kdx n LYS 77 Cb 0.54 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.34 2kdx n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kdx n ASP 78 N -1.97 5.21 0.00 4.39 2.03 -1.26 -4.97 116.55 119.99 2kdx n ASP 78 Ca 0.00 -3.69 0.00 0.00 0.52 0.00 0.00 54.79 51.62 2kdx n ASP 78 Cb 0.00 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 2kdx n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kdx n SER 80 N 0.00 0.00 -4.32 0.00 2.88 -1.26 -5.07 113.62 105.86 2kdx n SER 80 Ca 0.00 -1.27 -0.18 0.00 -1.33 0.00 0.00 58.87 56.09 2kdx n SER 80 Cb 0.00 -0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 2kdx n SER 80 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2kdx s HIS 81 N 0.00 1.61 -0.10 0.66 5.65 -1.26 -5.08 115.29 116.77 2kdx s HIS 81 Ca 0.00 -0.59 -0.06 0.00 0.25 0.00 0.00 55.06 54.65 2kdx s HIS 81 Cb 0.00 -0.77 0.04 0.00 -1.18 0.00 0.00 32.58 30.67 2kdx s HIS 81 CO 0.00 0.28 0.25 0.08 -0.65 0.00 0.00 174.74 174.71 2kdx s VAL 82 N -2.85 -0.03 0.29 0.89 1.01 -1.26 -2.63 120.40 115.81 2kdx s VAL 82 Ca 0.19 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2kdx s VAL 82 Cb -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.00 2kdx s VAL 82 CO 0.05 0.04 0.43 2.22 0.00 0.00 0.00 175.10 177.84 2kdx n PHE 83 N 3.82 -1.37 -3.89 5.22 1.16 -0.36 -4.97 117.46 117.07 2kdx n PHE 83 Ca -0.21 -1.85 -0.36 0.00 -1.87 0.00 0.00 57.45 53.17 2kdx n PHE 83 Cb 0.55 0.49 -0.06 0.00 -1.61 0.00 0.00 39.48 38.85 2kdx n PHE 83 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 2kdx s LYS 84 N -2.57 3.44 -0.40 3.97 0.00 -1.26 -0.72 119.74 122.20 2kdx s LYS 84 Ca 0.22 -0.20 -0.29 0.00 0.00 0.00 0.00 55.97 55.70 2kdx s LYS 84 Cb -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 37.83 34.66 2kdx s LYS 84 CO 0.16 0.74 1.53 -1.25 0.00 0.00 0.00 175.35 176.53 2kdx s PRO 85 N -1.36 3.49 0.05 1.78 0.04 -1.26 -4.99 135.00 132.75 2kdx s PRO 85 Ca 0.20 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 2kdx s PRO 85 Cb -0.12 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 2kdx s PRO 85 CO 0.09 -1.68 0.06 -0.80 0.04 0.00 0.00 177.00 174.72 2kdx s ASN 86 N 4.61 0.29 0.32 6.66 -0.87 -1.26 -5.15 114.94 119.54 2kdx s ASN 86 Ca 0.66 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2kdx s ASN 86 Cb -0.16 0.24 0.00 0.00 -0.02 0.00 0.00 41.25 41.31 2kdx s ASN 86 CO 0.33 -0.59 0.00 0.00 -2.57 0.00 0.00 177.10 174.27 2kdx n ALA 87 N 0.36 -3.49 0.01 0.60 0.00 -1.26 -4.68 120.51 112.05 2kdx n ALA 87 Ca -0.16 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kdx n ALA 87 Cb 0.60 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2kdx n ALA 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kdx n LEU 88 N -3.73 0.02 0.29 0.00 -0.00 -1.26 -4.54 117.00 107.78 2kdx n LEU 88 Ca -0.00 0.04 0.17 0.00 -0.00 0.00 0.00 56.01 56.22 2kdx n LEU 88 Cb 0.65 0.02 0.86 0.00 -0.00 0.00 0.00 43.42 44.95 2kdx n LEU 88 CO 0.01 -0.40 1.04 -0.78 -0.00 0.00 0.00 177.39 177.27 2kdx h ASP 89 N 0.00 0.00 -0.24 1.45 3.58 -2.03 -1.71 116.42 117.47 2kdx h ASP 89 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kdx h ASP 89 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kdx h ASP 89 CO 0.00 0.05 0.00 -1.22 -2.88 0.00 0.00 179.24 175.19 2kdx n TYR 90 N -3.31 0.72 0.98 0.28 4.01 -1.26 -4.84 117.16 113.74 2kdx n TYR 90 Ca -0.01 -0.80 0.09 0.00 -0.16 0.00 0.00 57.90 57.02 2kdx n TYR 90 Cb 0.21 -0.23 0.49 0.00 -0.31 0.00 0.00 39.34 39.50 2kdx n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kdx n GLY 91 N -0.39 -0.72 3.48 2.72 0.00 -0.64 -4.80 105.19 104.85 2kdx n GLY 91 Ca 0.18 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2kdx n GLY 91 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kdx n VAL 92 N -1.14 0.00 -0.69 1.61 0.24 -1.26 -4.72 118.33 112.37 2kdx n VAL 92 Ca 0.11 -0.34 -0.31 0.00 -2.04 0.00 0.00 64.34 61.76 2kdx n VAL 92 Cb 0.10 -0.94 0.16 0.00 -1.47 0.00 0.00 33.84 31.69 2kdx n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kdx h GLU 94 N -1.89 0.22 0.00 0.00 4.57 -1.95 -3.42 114.58 112.11 2kdx h GLU 94 Ca -0.45 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.37 2kdx h GLU 94 Cb 1.28 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 2kdx h GLU 94 CO 0.40 1.15 0.00 1.63 -1.18 0.00 0.00 179.01 181.01 2kdx n LYS 95 N -4.28 0.00 -1.23 1.92 5.02 -1.26 -4.95 118.16 113.38 2kdx n LYS 95 Ca -0.12 0.23 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 2kdx n LYS 95 Cb 0.70 -0.75 0.22 0.00 -0.02 0.00 0.00 35.03 35.18 2kdx n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kdx n HIS 97 N -4.49 2.75 -4.21 0.00 8.25 -1.26 -3.98 115.22 112.28 2kdx n HIS 97 Ca 0.12 -2.57 -0.16 0.00 -0.26 0.00 0.00 57.72 54.85 2kdx n HIS 97 Cb 0.59 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 2kdx n HIS 97 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kdx s SER 98 N -3.57 1.69 -0.08 0.41 0.01 -1.26 -4.84 113.70 106.06 2kdx s SER 98 Ca 0.46 -0.84 0.11 0.00 1.31 0.00 0.00 55.95 56.99 2kdx s SER 98 Cb 0.40 -0.02 0.46 0.00 0.21 0.00 0.00 66.02 67.07 2kdx s SER 98 CO -0.05 -0.23 1.29 0.29 0.41 0.00 0.00 173.24 174.96 2kdx n LYS 99 N 0.45 2.81 0.00 12.44 5.02 -1.26 -1.10 118.16 136.52 2kdx n LYS 99 Ca -0.15 -1.80 0.07 0.00 -2.02 0.00 0.00 58.31 54.41 2kdx n LYS 99 Cb 0.58 -1.70 0.43 0.00 -0.02 0.00 0.00 35.03 34.31 2kdx n LYS 99 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kdx n ASN 100 N 0.58 0.00 -4.68 4.39 6.94 -1.26 -4.90 115.26 116.33 2kdx n ASN 100 Ca 0.16 -0.44 -0.38 0.00 -0.02 0.00 0.00 54.58 53.90 2kdx n ASN 100 Cb 0.64 -0.01 0.06 0.00 -2.36 0.00 0.00 39.78 38.11 2kdx n ASN 100 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2kdx n VAL 101 N -1.01 4.13 -4.24 3.53 0.24 -1.26 -4.41 118.33 115.32 2kdx n VAL 101 Ca 0.11 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.71 2kdx n VAL 101 Cb 0.05 -1.35 -0.12 0.00 -1.47 0.00 0.00 33.84 30.95 2kdx n VAL 101 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2kdx s ILE 102 N -1.42 1.40 -0.27 1.34 -0.00 -0.05 -4.97 121.20 117.22 2kdx s ILE 102 Ca 0.77 -1.56 -0.29 0.00 -0.00 0.00 0.00 60.65 59.57 2kdx s ILE 102 Cb -0.41 -1.42 -0.01 0.00 -0.00 0.00 0.00 42.46 40.63 2kdx s ILE 102 CO 0.45 -0.26 1.42 -0.63 -0.00 0.00 0.00 174.94 175.92 2kdx s ILE 103 N -1.61 3.98 -1.64 8.37 1.09 -1.26 -1.13 121.20 129.00 2kdx s ILE 103 Ca 0.05 1.11 0.21 0.00 -1.10 0.00 0.00 60.65 60.92 2kdx s ILE 103 Cb -0.08 -3.99 -0.07 0.00 -1.06 0.00 0.00 42.46 37.26 2kdx s ILE 103 CO 0.03 -0.40 0.98 1.07 -0.10 0.00 0.00 174.94 176.52 2kdx n THR 104 N 6.27 0.00 -3.66 2.92 5.66 0.02 -4.73 114.28 120.75 2kdx n THR 104 Ca 0.16 -0.20 -0.07 0.00 -3.05 0.00 0.00 64.05 60.89 2kdx n THR 104 Cb 0.46 1.17 -0.08 0.00 -1.55 0.00 0.00 70.33 70.33 2kdx n THR 104 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2kdx s GLN 105 N -2.51 0.42 0.00 1.09 2.00 -1.06 -4.93 119.66 114.67 2kdx s GLN 105 Ca 0.14 1.12 0.00 0.00 -2.00 0.00 0.00 55.36 54.63 2kdx s GLN 105 Cb 0.16 0.41 0.00 0.00 0.80 0.00 0.00 33.01 34.38 2kdx s GLN 105 CO 0.62 -0.22 0.00 0.41 -0.50 0.00 0.00 175.29 175.60 2kdx n GLY 106 N 5.20 0.69 0.34 2.59 0.00 -1.26 -2.11 105.19 110.64 2kdx n GLY 106 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2kdx n GLY 106 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2kdx h ASN 107 N 0.00 0.35 -4.84 1.61 -0.73 -1.92 -3.36 115.58 106.69 2kdx h ASN 107 Ca 0.00 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.96 2kdx h ASN 107 Cb 0.00 -0.07 -0.19 0.00 0.27 0.00 0.00 38.32 38.33 2kdx h ASN 107 CO 0.00 0.22 -0.71 -1.61 -0.37 0.00 0.00 177.43 174.96 2kdx s GLU 108 N -5.37 0.58 0.41 6.67 2.02 -1.26 -5.05 118.70 116.70 2kdx s GLU 108 Ca -0.07 -0.95 -0.23 0.00 0.02 0.00 0.00 54.97 53.74 2kdx s GLU 108 Cb 0.19 -0.11 -0.09 0.00 0.10 0.00 0.00 34.13 34.21 2kdx s GLU 108 CO 0.74 -0.01 1.02 0.00 0.02 0.00 0.00 175.26 177.02 2kdx s MET 109 N -2.50 4.15 0.02 1.61 0.23 -1.26 -4.68 119.30 116.86 2kdx s MET 109 Ca -0.03 1.38 -0.15 0.00 -1.03 0.00 0.00 55.69 55.87 2kdx s MET 109 Cb -0.03 -2.41 0.02 0.00 -1.53 0.00 0.00 34.83 30.88 2kdx s MET 109 CO -0.03 -0.13 0.32 1.03 -2.03 0.00 0.00 175.02 174.18 2kdx s ARG 110 N -2.73 0.77 0.73 3.16 0.52 -0.65 -5.02 118.95 115.73 2kdx s ARG 110 Ca 0.60 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 55.28 2kdx s ARG 110 Cb -0.18 0.34 0.04 0.00 0.52 0.00 0.00 34.95 35.67 2kdx s ARG 110 CO 0.23 -0.24 1.23 -0.48 0.02 0.00 0.00 175.30 176.06 2kdx s LEU 111 N -1.80 3.32 -0.00 2.53 2.34 -1.26 -0.71 118.68 123.10 2kdx s LEU 111 Ca -0.08 2.42 -0.01 0.00 0.06 0.00 0.00 54.13 56.52 2kdx s LEU 111 Cb -0.02 -4.60 -0.01 0.00 -0.56 0.00 0.00 46.19 41.00 2kdx s LEU 111 CO -0.00 -2.33 -0.03 0.18 -1.06 0.00 0.00 176.35 173.11 2kdx n LEU 112 N -2.70 0.35 -3.83 1.48 4.77 0.10 -4.76 117.00 112.40 2kdx n LEU 112 Ca 0.14 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 2kdx n LEU 112 Cb 0.50 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2kdx n LEU 112 CO 0.48 -0.11 0.52 -0.55 -1.33 0.00 0.00 177.39 176.40 2kdx s SER 113 N -5.35 -0.14 0.28 -1.43 0.15 -1.17 -5.02 113.70 101.01 2kdx s SER 113 Ca -0.03 -0.80 0.11 0.00 0.70 0.00 0.00 55.95 55.94 2kdx s SER 113 Cb 0.01 0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 65.02 2kdx s SER 113 CO 0.04 -1.43 -0.19 -0.76 1.20 0.00 0.00 173.24 172.09 2kdx s LEU 114 N -3.00 2.59 0.03 3.45 1.43 -1.26 -0.65 118.68 121.27 2kdx s LEU 114 Ca 0.13 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 2kdx s LEU 114 Cb -0.05 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 2kdx s LEU 114 CO 0.08 0.00 -0.18 -1.61 0.23 0.00 0.00 176.35 174.88 2kdx s GLU 115 N -3.53 1.24 0.10 1.70 8.01 0.32 -4.97 118.70 121.57 2kdx s GLU 115 Ca 0.29 -0.78 0.03 0.00 0.01 0.00 0.00 54.97 54.52 2kdx s GLU 115 Cb -0.04 -1.28 -0.04 0.00 -4.31 0.00 0.00 34.13 28.46 2kdx s GLU 115 CO 0.14 0.33 -0.08 -1.64 0.01 0.00 0.00 175.26 174.02 2kdx s MET 116 N -0.93 0.84 -0.35 1.61 -1.94 -1.26 -0.61 119.30 116.66 2kdx s MET 116 Ca 0.05 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 52.78 2kdx s MET 116 Cb -0.08 -0.35 0.11 0.00 2.01 0.00 0.00 34.83 36.53 2kdx s MET 116 CO 0.01 0.02 0.14 -0.51 -0.01 0.00 0.00 175.02 174.67 2kdx s LEU 117 N -2.78 2.39 0.00 -0.03 1.43 -1.26 -4.78 118.68 113.65 2kdx s LEU 117 Ca 0.09 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.25 2kdx s LEU 117 Cb 0.02 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.32 2kdx s LEU 117 CO -0.02 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.19 2kdx n ALA 118 N 4.45 1.76 0.27 4.21 0.00 -1.26 -5.00 120.51 124.94 2kdx n ALA 118 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2kdx n ALA 118 Cb 0.40 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.97 2kdx n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59