#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdx n SER 2 N 0.00 0.69 -4.37 1.61 3.41 -1.26 -5.10 113.62 108.59 2kdx n SER 2 Ca 0.00 -1.29 -0.19 0.00 -0.26 0.00 0.00 58.87 57.14 2kdx n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2kdx n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kdx s MET 3 N -0.29 1.45 0.00 4.33 0.00 -1.26 -5.09 119.30 118.45 2kdx s MET 3 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 55.69 53.94 2kdx s MET 3 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 34.83 34.09 2kdx s MET 3 CO 0.00 -0.11 0.08 0.72 0.00 0.00 0.00 175.02 175.72 2kdx n HIS 4 N -0.51 0.00 -0.26 3.16 -0.00 -1.26 -4.81 115.22 111.54 2kdx n HIS 4 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.64 2kdx n HIS 4 Cb 0.65 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.71 2kdx n HIS 4 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2kdx h GLU 5 N 0.00 0.92 -0.00 -0.41 4.81 -2.05 -2.04 114.58 115.81 2kdx h GLU 5 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kdx h GLU 5 Cb 0.03 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2kdx h GLU 5 CO 0.00 0.61 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 2kdx n TYR 6 N -4.61 0.00 0.18 0.92 4.01 -1.26 -4.25 117.16 112.16 2kdx n TYR 6 Ca 0.07 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.67 2kdx n TYR 6 Cb 0.05 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.08 -0.59 -0.30 7.72 0.87 -1.68 -0.56 113.55 119.09 2kdx h SER 7 Ca 0.00 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2kdx h SER 7 Cb 0.02 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2kdx h SER 7 CO 0.00 -0.34 0.12 0.58 -0.53 0.00 0.00 176.83 176.66 2kdx h VAL 8 N -0.51 0.94 0.55 2.23 2.07 -1.78 -1.78 116.25 117.97 2kdx h VAL 8 Ca -0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2kdx h VAL 8 Cb 0.46 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2kdx h VAL 8 CO -0.02 0.05 -0.35 0.58 0.02 0.00 0.00 177.57 177.85 2kdx h VAL 9 N 0.26 0.00 -0.97 2.57 2.07 -1.72 -0.44 116.25 118.02 2kdx h VAL 9 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 2kdx h VAL 9 Cb 0.08 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.78 2kdx h VAL 9 CO -0.12 0.00 0.62 -1.28 0.02 0.00 0.00 177.57 176.81 2kdx h SER 10 N -0.84 0.92 -0.62 0.57 0.87 -1.19 -2.36 113.55 110.90 2kdx h SER 10 Ca -0.07 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2kdx h SER 10 Cb 0.68 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2kdx h SER 10 CO 0.07 0.53 0.41 -1.28 -0.53 0.00 0.00 176.83 176.03 2kdx h SER 11 N 1.01 0.72 -0.44 6.23 0.87 -1.03 -1.68 113.55 119.22 2kdx h SER 11 Ca 0.46 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 61.05 2kdx h SER 11 Cb 0.39 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2kdx h SER 11 CO -0.22 0.52 0.19 -0.07 -0.53 0.00 0.00 176.83 176.72 2kdx h LEU 12 N 0.85 0.23 -0.06 2.23 -0.00 -0.55 0.32 115.31 118.33 2kdx h LEU 12 Ca 0.23 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 58.18 2kdx h LEU 12 Cb -0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2kdx h LEU 12 CO -0.05 0.17 -0.12 0.40 -0.00 0.00 0.00 178.44 178.84 2kdx h ILE 13 N 0.38 0.68 -0.26 1.22 1.08 -1.22 -0.80 117.51 118.58 2kdx h ILE 13 Ca 0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.68 2kdx h ILE 13 Cb 0.16 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2kdx h ILE 13 CO -0.18 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 177.44 2kdx h ALA 14 N 0.83 0.33 0.04 1.87 0.00 -1.00 -2.00 119.26 119.33 2kdx h ALA 14 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kdx h ALA 14 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kdx h ALA 14 CO -0.17 -0.21 -0.08 -0.07 0.00 0.00 0.00 179.25 178.72 2kdx h LEU 15 N 0.33 -0.23 -0.28 0.00 3.38 -0.83 -1.21 115.31 116.48 2kdx h LEU 15 Ca 0.10 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2kdx h LEU 15 Cb -0.02 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2kdx h LEU 15 CO -0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 178.44 178.37 2kdx h GLU 17 N 0.08 -0.47 -0.10 0.00 4.57 -1.29 -1.16 114.58 116.22 2kdx h GLU 17 Ca 0.13 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2kdx h GLU 17 Cb 0.18 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2kdx h GLU 17 CO -0.23 -0.31 0.05 1.49 -1.18 0.00 0.00 179.01 178.83 2kdx h GLU 18 N -0.48 0.10 -0.88 1.92 4.81 -0.95 -2.19 114.58 116.91 2kdx h GLU 18 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2kdx h GLU 18 Cb 0.51 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2kdx h GLU 18 CO -0.15 0.07 0.46 0.45 -0.73 0.00 0.00 179.01 179.11 2kdx h HIS 19 N 0.11 1.23 -0.49 0.92 3.86 -0.88 -1.82 115.15 118.08 2kdx h HIS 19 Ca 0.04 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2kdx h HIS 19 Cb 0.00 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 2kdx h HIS 19 CO -0.08 0.86 -0.07 0.00 0.86 0.00 0.00 177.93 179.50 2kdx h ALA 20 N 1.26 0.67 -0.06 2.45 0.00 -0.95 0.11 119.26 122.74 2kdx h ALA 20 Ca 0.31 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2kdx h ALA 20 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kdx h ALA 20 CO -0.05 0.54 -0.46 1.57 0.00 0.00 0.00 179.25 180.85 2kdx h LYS 21 N 0.76 0.14 -0.09 0.00 2.10 -1.34 0.19 116.57 118.33 2kdx h LYS 21 Ca 0.13 -0.07 -0.24 0.00 -2.00 0.00 0.00 60.65 58.47 2kdx h LYS 21 Cb 0.61 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2kdx h LYS 21 CO 0.04 0.57 -0.89 -0.22 -2.00 0.00 0.00 179.45 176.95 2kdx h LYS 22 N 0.11 0.76 0.00 0.07 1.63 -1.05 -2.80 116.57 115.29 2kdx h LYS 22 Ca 0.01 -0.70 0.00 0.00 -0.85 0.00 0.00 60.65 59.11 2kdx h LYS 22 Cb 0.85 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2kdx h LYS 22 CO 0.07 1.29 0.00 -1.71 -3.45 0.00 0.00 179.45 175.65 2kdx n ASN 23 N -3.91 0.00 -2.10 4.20 2.85 0.00 -4.93 115.26 111.37 2kdx n ASN 23 Ca -0.09 -0.31 -0.21 0.00 -0.11 0.00 0.00 54.58 53.86 2kdx n ASN 23 Cb 0.80 -0.23 -0.04 0.00 1.24 0.00 0.00 39.78 41.56 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 -1.23 -1.61 0.13 1.20 6.02 -0.76 -4.91 117.38 116.22 2kdx n GLN 24 Ca 0.16 1.08 -0.24 0.00 -0.01 0.00 0.00 57.00 57.99 2kdx n GLN 24 Cb 0.22 -5.64 -0.16 0.00 1.02 0.00 0.00 30.24 25.68 2kdx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kdx h ALA 25 N 0.64 -0.09 -4.93 -1.58 0.00 -0.93 -3.49 119.26 108.88 2kdx h ALA 25 Ca -0.46 -0.92 -0.23 0.00 0.00 0.00 0.00 54.91 53.30 2kdx h ALA 25 Cb 1.35 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 2kdx h ALA 25 CO 0.59 0.78 -0.32 0.72 0.00 0.00 0.00 179.25 181.02 2kdx n HIS 26 N -3.68 -1.69 -3.66 0.00 8.25 -0.97 -4.90 115.22 108.57 2kdx n HIS 26 Ca -0.18 0.18 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2kdx n HIS 26 Cb 1.10 -2.15 -0.01 0.00 1.12 0.00 0.00 29.99 30.05 2kdx n HIS 26 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2kdx s LYS 27 N -5.47 0.87 0.31 -0.41 1.02 -1.26 -4.70 119.74 110.10 2kdx s LYS 27 Ca 0.18 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.77 2kdx s LYS 27 Cb -0.10 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.47 2kdx s LYS 27 CO 0.22 -0.39 0.01 0.42 -0.92 0.00 0.00 175.35 174.68 2kdx s ILE 28 N -2.98 1.41 0.07 2.17 -1.09 -1.24 -4.77 121.20 114.77 2kdx s ILE 28 Ca 0.11 -2.05 0.00 0.00 -2.23 0.00 0.00 60.65 56.49 2kdx s ILE 28 Cb 0.00 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 2kdx s ILE 28 CO -0.02 -0.13 0.00 1.21 -1.23 0.00 0.00 174.94 174.77 2kdx n GLU 29 N -0.65 0.00 -3.54 2.79 4.07 0.40 -4.48 120.64 119.22 2kdx n GLU 29 Ca -0.04 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.98 2kdx n GLU 29 Cb 0.65 -0.50 -0.09 0.00 -0.06 0.00 0.00 31.44 31.45 2kdx n GLU 29 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2kdx s ARG 30 N -2.00 0.35 -0.48 5.31 6.06 -1.02 -3.31 118.95 123.86 2kdx s ARG 30 Ca 0.00 0.90 -0.18 0.00 -2.50 0.00 0.00 55.73 53.95 2kdx s ARG 30 Cb 0.00 0.12 0.06 0.00 0.06 0.00 0.00 34.95 35.18 2kdx s ARG 30 CO 0.00 -0.38 0.53 0.14 -2.50 0.00 0.00 175.30 173.09 2kdx s VAL 31 N 2.61 5.01 -0.20 7.11 -7.23 0.14 -0.88 120.40 126.96 2kdx s VAL 31 Ca 0.04 -0.63 -0.24 0.00 -1.81 0.00 0.00 61.98 59.33 2kdx s VAL 31 Cb -0.13 -4.21 -0.01 0.00 0.56 0.00 0.00 36.38 32.59 2kdx s VAL 31 CO -0.14 -0.68 0.80 -0.69 -0.31 0.00 0.00 175.10 174.07 2kdx s VAL 32 N 2.27 4.89 -0.06 1.32 1.01 0.39 -0.70 120.40 129.52 2kdx s VAL 32 Ca 0.11 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.64 2kdx s VAL 32 Cb -0.20 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2kdx s VAL 32 CO 0.11 0.00 -0.07 -0.69 0.00 0.00 0.00 175.10 174.44 2kdx s VAL 33 N 2.38 0.80 -0.18 2.92 1.01 -0.49 -0.96 120.40 125.87 2kdx s VAL 33 Ca 0.35 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2kdx s VAL 33 Cb -0.16 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2kdx s VAL 33 CO 0.10 0.29 0.49 -0.83 0.00 0.00 0.00 175.10 175.15 2kdx s GLY 34 N 0.95 2.14 -0.19 4.51 0.00 0.02 -0.62 107.32 114.14 2kdx s GLY 34 Ca -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2kdx s GLY 34 CO 0.00 0.97 -0.15 -0.42 0.00 0.00 0.00 173.10 173.50 2kdx s ILE 35 N 1.39 1.87 0.38 0.90 1.01 -0.30 -1.40 121.20 125.05 2kdx s ILE 35 Ca 0.23 -0.98 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 2kdx s ILE 35 Cb -0.15 -1.80 -0.10 0.00 0.01 0.00 0.00 42.46 40.42 2kdx s ILE 35 CO 0.09 0.36 1.38 -0.83 0.00 0.00 0.00 174.94 175.94 2kdx s GLY 36 N 1.33 2.95 0.00 6.18 0.00 -1.23 -0.98 107.32 115.58 2kdx s GLY 36 Ca 0.02 1.37 0.14 0.00 0.00 0.00 0.00 44.72 46.25 2kdx s GLY 36 CO -0.10 2.01 1.42 -1.84 0.00 0.00 0.00 173.10 174.59 2kdx n GLU 37 N 0.37 0.05 -0.26 2.90 0.28 -0.30 -1.31 120.64 122.36 2kdx n GLU 37 Ca 0.02 0.24 0.10 0.00 -0.16 0.00 0.00 57.16 57.36 2kdx n GLU 37 Cb 0.41 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.03 2kdx n GLU 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kdx n ARG 38 N -1.45 2.62 0.27 3.44 5.12 -1.26 -4.62 116.66 120.79 2kdx n ARG 38 Ca 0.04 -2.35 0.11 0.00 -1.93 0.00 0.00 57.85 53.72 2kdx n ARG 38 Cb 0.15 -1.46 0.76 0.00 -1.16 0.00 0.00 32.46 30.75 2kdx n ARG 38 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2kdx h SER 39 N 3.62 0.00 -0.97 0.55 4.64 -1.39 -3.47 113.55 116.53 2kdx h SER 39 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2kdx h SER 39 Cb 0.90 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.86 2kdx h SER 39 CO 0.00 0.04 -0.30 0.00 -0.87 0.00 0.00 176.83 175.70 2kdx n ALA 40 N -2.40 -0.24 -2.81 5.18 0.00 -1.26 -5.01 120.51 113.96 2kdx n ALA 40 Ca -0.03 0.26 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 2kdx n ALA 40 Cb 0.12 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 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 -3.33 3.10 -0.37 0.00 -1.94 -1.26 -5.09 119.30 110.41 2kdx s MET 41 Ca 0.00 -0.52 -0.27 0.00 -1.71 0.00 0.00 55.69 53.18 2kdx s MET 41 Cb 0.00 -2.87 0.02 0.00 2.01 0.00 0.00 34.83 33.99 2kdx s MET 41 CO 0.00 0.62 1.01 -0.51 -0.01 0.00 0.00 175.02 176.13 2kdx s ASP 42 N -2.06 6.75 0.36 3.03 1.01 -1.26 -4.95 116.67 119.55 2kdx s ASP 42 Ca 0.27 0.71 0.08 0.00 0.71 0.00 0.00 52.55 54.31 2kdx s ASP 42 Cb -0.12 -2.50 0.79 0.00 1.01 0.00 0.00 42.92 42.09 2kdx s ASP 42 CO 0.19 -0.94 1.89 0.07 0.21 0.00 0.00 175.17 176.60 2kdx h LYS 43 N 8.49 0.70 -0.43 8.23 2.10 -1.99 -1.91 116.57 131.75 2kdx h LYS 43 Ca -0.22 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2kdx h LYS 43 Cb 1.07 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 32.22 2kdx h LYS 43 CO 1.02 0.46 0.22 1.03 -2.00 0.00 0.00 179.45 180.18 2kdx h SER 44 N 0.72 0.56 -0.32 7.07 0.87 -2.00 -1.61 113.55 118.85 2kdx h SER 44 Ca 0.41 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2kdx h SER 44 Cb 0.58 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2kdx h SER 44 CO -0.17 0.52 0.18 0.25 -0.53 0.00 0.00 176.83 177.08 2kdx h LEU 45 N 0.56 0.39 0.34 2.23 5.85 -1.83 -1.45 115.31 121.39 2kdx h LEU 45 Ca 0.15 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2kdx h LEU 45 Cb 0.10 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2kdx h LEU 45 CO -0.02 0.34 -0.18 0.15 -0.34 0.00 0.00 178.44 178.39 2kdx h PHE 46 N 0.40 -0.46 -0.58 1.25 3.57 -1.15 -0.26 116.94 119.71 2kdx h PHE 46 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2kdx h PHE 46 Cb 0.03 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2kdx h PHE 46 CO -0.04 -0.28 0.37 -0.24 -2.23 0.00 0.00 178.31 175.89 2kdx h VAL 47 N -0.48 1.16 -0.46 1.41 3.04 -1.32 -1.37 116.25 118.22 2kdx h VAL 47 Ca -0.04 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2kdx h VAL 47 Cb 0.38 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 2kdx h VAL 47 CO 0.06 0.16 0.29 -1.28 -1.01 0.00 0.00 177.57 175.79 2kdx h SER 48 N 0.78 0.54 -0.21 3.17 0.87 -1.13 0.15 113.55 117.72 2kdx h SER 48 Ca 0.21 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2kdx h SER 48 Cb -0.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2kdx h SER 48 CO -0.04 0.40 -0.06 0.00 -0.53 0.00 0.00 176.83 176.60 2kdx h ALA 49 N 1.70 0.29 -0.33 6.23 0.00 -0.51 -1.31 119.26 125.33 2kdx h ALA 49 Ca 0.17 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kdx h ALA 49 Cb -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2kdx h ALA 49 CO -0.03 0.08 0.10 0.35 0.00 0.00 0.00 179.25 179.74 2kdx h PHE 50 N 0.12 0.17 -0.15 0.00 3.57 -0.63 -1.26 116.94 118.76 2kdx h PHE 50 Ca 0.05 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2kdx h PHE 50 Cb 0.52 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2kdx h PHE 50 CO 0.05 0.06 -0.13 0.93 -2.23 0.00 0.00 178.31 177.00 2kdx h GLU 51 N 0.23 0.23 0.41 1.11 4.39 -0.95 -0.85 114.58 119.15 2kdx h GLU 51 Ca 0.15 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2kdx h GLU 51 Cb 0.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kdx h GLU 51 CO -0.17 0.37 -0.20 1.15 -1.16 0.00 0.00 179.01 179.01 2kdx h THR 52 N 0.22 0.58 0.00 1.13 2.02 -0.95 -3.32 112.91 112.59 2kdx h THR 52 Ca 0.05 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2kdx h THR 52 Cb 0.37 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2kdx h THR 52 CO 0.02 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.47 2kdx n PHE 53 N -5.24 0.00 -0.14 3.16 3.72 -0.50 -4.01 117.46 114.44 2kdx n PHE 53 Ca -0.11 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.48 2kdx n PHE 53 Cb 0.28 -0.40 0.57 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.27 -0.63 -1.08 0.11 -1.26 -2.54 114.38 109.25 2kdx h ARG 54 Ca 0.00 -0.02 0.18 0.00 0.10 0.00 0.00 59.98 60.24 2kdx h ARG 54 Cb 0.32 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.31 2kdx h ARG 54 CO 0.00 0.18 0.45 0.93 0.10 0.00 0.00 179.97 181.64 2kdx h GLU 55 N 0.28 0.02 0.00 0.08 4.39 -1.83 -1.85 114.58 115.67 2kdx h GLU 55 Ca 0.37 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 2kdx h GLU 55 Cb 1.02 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2kdx h GLU 55 CO -0.09 0.01 -0.01 1.49 -1.16 0.00 0.00 179.01 179.25 2kdx h GLU 56 N 0.02 0.00 -3.55 2.33 4.57 -1.78 -3.43 114.58 112.75 2kdx h GLU 56 Ca 0.30 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.14 2kdx h GLU 56 Cb 1.18 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 29.41 2kdx h GLU 56 CO -0.01 0.01 -0.74 -1.12 -1.18 0.00 0.00 179.01 175.97 2kdx s SER 57 N -5.45 0.62 0.20 1.04 0.01 -0.70 -5.06 113.70 104.36 2kdx s SER 57 Ca -0.04 0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.13 2kdx s SER 57 Cb 0.13 -0.17 0.21 0.00 0.21 0.00 0.00 66.02 66.39 2kdx s SER 57 CO 0.46 -0.16 1.79 0.25 0.41 0.00 0.00 173.24 175.99 2kdx h LEU 58 N 7.69 0.42 -1.56 2.44 7.12 -1.83 -1.94 115.31 127.65 2kdx h LEU 58 Ca -0.33 0.04 -0.05 0.00 0.13 0.00 0.00 57.88 57.67 2kdx h LEU 58 Cb 1.12 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 2kdx h LEU 58 CO 0.37 0.28 -0.22 -0.37 -0.13 0.00 0.00 178.44 178.36 2kdx h VAL 59 N 0.56 0.84 0.00 1.05 -1.51 -1.91 -2.95 116.25 112.33 2kdx h VAL 59 Ca 0.27 -0.87 -0.05 0.00 -1.23 0.00 0.00 66.70 64.82 2kdx h VAL 59 Cb 0.21 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 2kdx h VAL 59 CO -0.20 0.22 -0.25 0.00 -1.23 0.00 0.00 177.57 176.11 2kdx n LYS 61 N -3.20 0.00 -3.21 0.00 5.02 -1.11 -2.97 118.16 112.69 2kdx n LYS 61 Ca 0.02 0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 56.32 2kdx n LYS 61 Cb 0.59 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.50 3.08 -4.01 4.39 8.00 -1.17 -5.08 116.55 120.26 2kdx n ASP 62 Ca 0.03 -3.35 -0.08 0.00 0.71 0.00 0.00 54.79 52.11 2kdx n ASP 62 Cb 0.16 -0.63 -0.09 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.58 0.26 0.01 2.24 0.00 -1.16 -3.59 121.76 116.94 2kdx s ALA 63 Ca 0.42 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2kdx s ALA 63 Cb 0.22 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 2kdx s ALA 63 CO -0.07 -0.42 -0.02 0.42 0.00 0.00 0.00 175.76 175.66 2kdx s ILE 64 N -3.90 0.14 0.60 0.00 1.01 -1.21 -5.02 121.20 112.82 2kdx s ILE 64 Ca 0.07 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 2kdx s ILE 64 Cb 0.07 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.33 2kdx s ILE 64 CO -0.10 -0.13 1.05 -0.22 0.00 0.00 0.00 174.94 175.54 2kdx s LEU 65 N -0.50 3.45 -0.37 2.97 1.98 -1.26 -0.69 118.68 124.27 2kdx s LEU 65 Ca -0.04 1.77 0.01 0.00 -2.89 0.00 0.00 54.13 52.97 2kdx s LEU 65 Cb -0.04 -4.53 0.14 0.00 0.66 0.00 0.00 46.19 42.43 2kdx s LEU 65 CO -0.00 -1.16 0.22 -0.62 -1.89 0.00 0.00 176.35 172.90 2kdx s ASP 66 N -2.96 2.98 -0.58 3.68 2.15 0.13 -4.77 116.67 117.30 2kdx s ASP 66 Ca 0.62 -2.32 -0.28 0.00 0.43 0.00 0.00 52.55 51.01 2kdx s ASP 66 Cb -0.15 -0.50 0.02 0.00 -0.30 0.00 0.00 42.92 41.98 2kdx s ASP 66 CO 0.39 -0.29 1.38 -0.63 -0.17 0.00 0.00 175.17 175.85 2kdx s ILE 67 N 0.88 3.81 -0.24 4.11 1.01 -1.26 -1.40 121.20 128.11 2kdx s ILE 67 Ca 0.19 0.67 -0.28 0.00 0.00 0.00 0.00 60.65 61.23 2kdx s ILE 67 Cb -0.21 -4.51 0.01 0.00 0.01 0.00 0.00 42.46 37.75 2kdx s ILE 67 CO -0.01 -1.25 0.99 -0.69 0.00 0.00 0.00 174.94 173.99 2kdx s VAL 68 N 5.93 4.70 -0.36 2.92 1.01 0.21 -4.97 120.40 129.84 2kdx s VAL 68 Ca 0.50 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 64.09 2kdx s VAL 68 Cb -0.10 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 2kdx s VAL 68 CO 0.24 -0.18 1.59 -1.81 0.00 0.00 0.00 175.10 174.94 2kdx s ASP 69 N 1.27 6.16 -0.11 3.32 1.01 -1.26 -1.15 116.67 125.91 2kdx s ASP 69 Ca 0.42 1.10 -0.06 0.00 0.71 0.00 0.00 52.55 54.72 2kdx s ASP 69 Cb -0.15 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2kdx s ASP 69 CO 0.07 -1.53 0.10 -1.61 0.21 0.00 0.00 175.17 172.42 2kdx s GLU 70 N 5.20 3.33 0.90 8.23 2.02 -0.15 -4.95 118.70 133.28 2kdx s GLU 70 Ca 0.70 -0.20 -0.12 0.00 0.02 0.00 0.00 54.97 55.37 2kdx s GLU 70 Cb -0.18 -3.09 0.13 0.00 0.10 0.00 0.00 34.13 31.09 2kdx s GLU 70 CO 0.33 0.76 1.11 0.15 0.02 0.00 0.00 175.26 177.62 2kdx s LYS 71 N -0.98 1.22 0.23 1.61 -0.14 -1.26 -1.15 119.74 119.27 2kdx s LYS 71 Ca 0.14 0.50 0.10 0.00 -1.36 0.00 0.00 55.97 55.36 2kdx s LYS 71 Cb -0.12 -1.83 -0.05 0.00 -1.68 0.00 0.00 37.83 34.15 2kdx s LYS 71 CO 0.04 -2.19 -0.18 0.14 -0.76 0.00 0.00 175.35 172.40 2kdx s VAL 72 N -3.13 2.15 -0.09 3.17 -7.23 -1.26 -4.44 120.40 109.56 2kdx s VAL 72 Ca 0.63 -2.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 2kdx s VAL 72 Cb -0.16 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.68 2kdx s VAL 72 CO 0.55 -0.43 0.21 -0.70 -0.31 0.00 0.00 175.10 174.42 2kdx s GLU 73 N -3.40 0.15 -0.48 4.82 2.12 -0.16 -4.72 118.70 117.02 2kdx s GLU 73 Ca 0.25 0.51 -0.08 0.00 0.36 0.00 0.00 54.97 56.01 2kdx s GLU 73 Cb -0.04 -0.14 0.12 0.00 0.26 0.00 0.00 34.13 34.33 2kdx s GLU 73 CO 0.11 -0.19 0.34 -0.51 -0.54 0.00 0.00 175.26 174.47 2kdx s LEU 74 N 1.46 5.61 0.47 2.70 2.01 -0.01 -1.13 118.68 129.79 2kdx s LEU 74 Ca -0.07 -2.04 -0.22 0.00 0.01 0.00 0.00 54.13 51.81 2kdx s LEU 74 Cb -0.11 -1.97 -0.07 0.00 0.01 0.00 0.00 46.19 44.05 2kdx s LEU 74 CO -0.07 -0.64 1.13 -0.70 1.01 0.00 0.00 176.35 177.08 2kdx s GLU 75 N 1.17 3.72 0.77 1.70 2.12 -0.27 -1.12 118.70 126.79 2kdx s GLU 75 Ca 0.08 1.68 -0.11 0.00 0.36 0.00 0.00 54.97 56.97 2kdx s GLU 75 Cb -0.24 -2.31 0.05 0.00 0.26 0.00 0.00 34.13 31.88 2kdx s GLU 75 CO -0.02 -0.56 1.08 0.00 -0.54 0.00 0.00 175.26 175.23 2kdx n LYS 77 N -3.39 0.00 -3.07 0.00 4.76 -1.26 -4.61 118.16 110.59 2kdx n LYS 77 Ca 0.07 0.21 -0.25 0.00 -2.87 0.00 0.00 58.31 55.48 2kdx n LYS 77 Cb 0.55 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.52 2kdx n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kdx n ASP 78 N -1.12 3.27 0.00 4.39 9.92 -1.26 -5.02 116.55 126.72 2kdx n ASP 78 Ca 0.00 -3.44 0.00 0.00 -0.53 0.00 0.00 54.79 50.82 2kdx n ASP 78 Cb 0.00 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 2kdx n ASP 78 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kdx n SER 80 N 0.00 0.00 -4.27 0.00 3.41 -1.26 -5.07 113.62 106.43 2kdx n SER 80 Ca 0.00 -1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.41 2kdx n SER 80 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2kdx n SER 80 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2kdx s HIS 81 N 0.00 1.57 0.04 7.33 5.65 -1.26 -5.10 115.29 123.52 2kdx s HIS 81 Ca 0.00 -0.50 0.00 0.00 0.25 0.00 0.00 55.06 54.81 2kdx s HIS 81 Cb 0.00 -0.82 -0.03 0.00 -1.18 0.00 0.00 32.58 30.55 2kdx s HIS 81 CO 0.00 0.20 -0.04 0.14 -0.65 0.00 0.00 174.74 174.39 2kdx s VAL 82 N -1.92 0.31 0.28 0.89 -7.23 -1.26 -2.38 120.40 109.08 2kdx s VAL 82 Ca 0.10 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 58.99 2kdx s VAL 82 Cb -0.06 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 2kdx s VAL 82 CO 0.04 -0.67 0.24 2.22 -0.31 0.00 0.00 175.10 176.63 2kdx n PHE 83 N 0.93 -0.69 -4.29 2.82 1.16 -0.28 -4.97 117.46 112.14 2kdx n PHE 83 Ca -0.19 -2.32 -0.35 0.00 -1.87 0.00 0.00 57.45 52.71 2kdx n PHE 83 Cb 0.57 0.25 -0.09 0.00 -1.61 0.00 0.00 39.48 38.61 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 -3.11 3.05 -0.06 3.97 0.00 -1.26 -0.83 119.74 121.49 2kdx s LYS 84 Ca 0.33 -0.38 -0.30 0.00 0.00 0.00 0.00 55.97 55.63 2kdx s LYS 84 Cb 0.02 -2.85 -0.04 0.00 0.00 0.00 0.00 37.83 34.96 2kdx s LYS 84 CO 0.23 0.71 1.32 -1.25 0.00 0.00 0.00 175.35 176.36 2kdx s PRO 85 N -0.96 4.29 0.03 1.78 0.04 -1.26 -4.82 135.00 134.10 2kdx s PRO 85 Ca 0.14 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2kdx s PRO 85 Cb -0.11 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2kdx s PRO 85 CO 0.03 -0.58 0.00 -1.71 0.04 0.00 0.00 177.00 174.78 2kdx n ASN 86 N 5.74 -0.09 -4.74 6.66 2.85 -1.26 -5.12 115.26 119.30 2kdx n ASN 86 Ca 0.13 0.06 -0.30 0.00 -0.11 0.00 0.00 54.58 54.36 2kdx n ASN 86 Cb 0.45 0.18 0.13 0.00 1.24 0.00 0.00 39.78 41.77 2kdx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kdx s ALA 87 N -1.86 1.66 0.03 5.20 0.00 -1.26 -5.06 121.76 120.47 2kdx s ALA 87 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 2kdx s ALA 87 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 2kdx s ALA 87 CO 0.00 -2.26 -0.01 1.47 0.00 0.00 0.00 175.76 174.97 2kdx n LEU 88 N -3.81 0.42 -0.13 0.00 -0.00 -1.26 -4.30 117.00 107.92 2kdx n LEU 88 Ca 0.07 0.05 -0.11 0.00 -0.00 0.00 0.00 56.01 56.03 2kdx n LEU 88 Cb 0.56 -0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 43.81 2kdx n LEU 88 CO 0.56 -0.58 0.76 -0.78 -0.00 0.00 0.00 177.39 177.35 2kdx h ASP 89 N -0.02 0.68 -0.05 1.45 3.58 -2.04 -2.36 116.42 117.66 2kdx h ASP 89 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kdx h ASP 89 Cb 0.02 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kdx h ASP 89 CO 0.00 0.85 0.00 -1.22 -2.88 0.00 0.00 179.24 175.99 2kdx n TYR 90 N -4.44 0.06 -0.31 0.28 4.01 -1.26 -4.46 117.16 111.05 2kdx n TYR 90 Ca -0.01 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 2kdx n TYR 90 Cb 0.30 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.82 3.30 3.85 2.72 0.00 -0.89 -4.94 105.19 110.05 2kdx n GLY 91 Ca 0.12 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 2kdx n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kdx s VAL 92 N -1.43 4.02 0.14 1.61 -7.23 -1.26 -4.83 120.40 111.41 2kdx s VAL 92 Ca 0.21 0.66 -0.33 0.00 -1.81 0.00 0.00 61.98 60.71 2kdx s VAL 92 Cb 0.17 -3.53 -0.13 0.00 0.56 0.00 0.00 36.38 33.46 2kdx s VAL 92 CO 0.02 -0.86 1.68 0.00 -0.31 0.00 0.00 175.10 175.63 2kdx h GLU 94 N 6.86 0.00 0.00 0.00 5.08 -1.96 -3.09 114.58 121.48 2kdx h GLU 94 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 2kdx h GLU 94 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2kdx h GLU 94 CO 0.92 0.10 -0.47 0.87 -1.00 0.00 0.00 179.01 179.43 2kdx h LYS 95 N 0.00 0.00 -3.70 2.33 1.79 -1.98 -3.45 116.57 111.57 2kdx h LYS 95 Ca -0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 2kdx h LYS 95 Cb 0.45 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.70 2kdx h LYS 95 CO 0.01 0.97 -0.74 0.00 -1.08 0.00 0.00 179.45 178.61 2kdx n HIS 97 N 4.32 0.00 -4.07 0.00 1.44 -1.17 -3.88 115.22 111.86 2kdx n HIS 97 Ca 0.02 -0.49 -0.07 0.00 -2.01 0.00 0.00 57.72 55.17 2kdx n HIS 97 Cb 0.40 -0.70 -0.10 0.00 0.12 0.00 0.00 29.99 29.70 2kdx n HIS 97 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2kdx s SER 98 N 6.41 0.45 0.00 4.39 0.01 -1.26 -4.93 113.70 118.77 2kdx s SER 98 Ca 0.50 -0.94 0.10 0.00 1.31 0.00 0.00 55.95 56.92 2kdx s SER 98 Cb 0.11 0.20 0.34 0.00 0.21 0.00 0.00 66.02 66.87 2kdx s SER 98 CO 0.25 -0.58 1.26 0.29 0.41 0.00 0.00 173.24 174.87 2kdx n LYS 99 N 0.24 1.54 0.00 12.44 4.76 -1.26 -2.07 118.16 133.81 2kdx n LYS 99 Ca -0.15 -0.84 0.04 0.00 -2.87 0.00 0.00 58.31 54.50 2kdx n LYS 99 Cb 0.60 -1.22 0.20 0.00 -1.84 0.00 0.00 35.03 32.77 2kdx n LYS 99 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2kdx n ASN 100 N 0.15 0.00 -4.56 4.39 6.94 -1.26 -4.89 115.26 116.03 2kdx n ASN 100 Ca 0.09 0.32 -0.37 0.00 -0.02 0.00 0.00 54.58 54.60 2kdx n ASN 100 Cb 0.21 -0.39 0.05 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.39 3.12 -4.20 3.53 0.24 -1.26 -4.50 118.33 113.87 2kdx n VAL 101 Ca 0.03 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.68 2kdx n VAL 101 Cb 0.08 -0.98 -0.11 0.00 -1.47 0.00 0.00 33.84 31.36 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 -1.64 1.15 -0.37 1.34 -0.00 0.03 -4.98 121.20 116.74 2kdx s ILE 102 Ca 0.73 -1.57 -0.29 0.00 -0.00 0.00 0.00 60.65 59.53 2kdx s ILE 102 Cb -0.41 -1.34 0.02 0.00 -0.00 0.00 0.00 42.46 40.73 2kdx s ILE 102 CO 0.50 -0.40 1.19 -0.63 -0.00 0.00 0.00 174.94 175.60 2kdx s ILE 103 N -1.96 4.25 -0.83 8.37 1.09 -1.26 -1.12 121.20 129.75 2kdx s ILE 103 Ca 0.04 1.38 0.22 0.00 -1.10 0.00 0.00 60.65 61.19 2kdx s ILE 103 Cb -0.06 -4.38 -0.21 0.00 -1.06 0.00 0.00 42.46 36.76 2kdx s ILE 103 CO 0.02 -0.66 0.91 1.07 -0.10 0.00 0.00 174.94 176.18 2kdx n THR 104 N 6.37 0.02 -3.68 2.92 5.66 -0.29 -4.85 114.28 120.43 2kdx n THR 104 Ca 0.13 -0.09 -0.10 0.00 -3.05 0.00 0.00 64.05 60.94 2kdx n THR 104 Cb 0.48 0.71 -0.09 0.00 -1.55 0.00 0.00 70.33 69.87 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 -3.09 0.52 0.00 1.09 2.00 -1.22 -4.94 119.66 114.01 2kdx s GLN 105 Ca 0.06 0.93 0.00 0.00 -2.00 0.00 0.00 55.36 54.34 2kdx s GLN 105 Cb 0.16 0.06 0.00 0.00 0.80 0.00 0.00 33.01 34.03 2kdx s GLN 105 CO 0.85 -0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.90 2kdx n GLY 106 N 4.12 0.89 0.25 2.59 0.00 -1.26 -0.99 105.19 110.79 2kdx n GLY 106 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.87 2kdx n GLY 106 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kdx h ASN 107 N 0.00 0.05 -4.17 1.61 4.21 -1.92 -3.39 115.58 111.97 2kdx h ASN 107 Ca 0.00 -0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.16 2kdx h ASN 107 Cb 0.00 -0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 37.10 2kdx h ASN 107 CO 0.00 0.11 -0.28 -0.62 -1.29 0.00 0.00 177.43 175.35 2kdx n GLU 108 N -4.45 0.49 -4.05 0.81 1.02 -1.26 -4.90 120.64 108.30 2kdx n GLU 108 Ca -0.02 -2.75 -0.31 0.00 -0.02 0.00 0.00 57.16 54.06 2kdx n GLU 108 Cb 0.15 2.43 -0.07 0.00 -0.02 0.00 0.00 31.44 33.93 2kdx n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kdx s MET 109 N -2.97 2.88 -0.02 3.49 0.23 -1.26 -3.52 119.30 118.13 2kdx s MET 109 Ca 0.31 -0.69 -0.14 0.00 -1.03 0.00 0.00 55.69 54.15 2kdx s MET 109 Cb 0.01 -2.73 0.02 0.00 -1.53 0.00 0.00 34.83 30.60 2kdx s MET 109 CO 0.22 0.57 0.29 1.03 -2.03 0.00 0.00 175.02 175.10 2kdx s ARG 110 N -2.37 0.62 0.85 3.16 0.52 -0.50 -5.02 118.95 116.22 2kdx s ARG 110 Ca 0.29 -0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 55.24 2kdx s ARG 110 Cb -0.12 0.28 0.11 0.00 0.52 0.00 0.00 34.95 35.73 2kdx s ARG 110 CO 0.22 -0.16 1.16 -0.48 0.02 0.00 0.00 175.30 176.05 2kdx s LEU 111 N -1.18 2.99 0.12 2.53 -0.00 -1.26 -0.80 118.68 121.08 2kdx s LEU 111 Ca -0.12 2.20 0.00 0.00 -0.00 0.00 0.00 54.13 56.21 2kdx s LEU 111 Cb -0.05 -4.57 0.00 0.00 -0.00 0.00 0.00 46.19 41.57 2kdx s LEU 111 CO 0.04 -2.79 0.00 0.18 -0.00 0.00 0.00 176.35 173.77 2kdx n LEU 112 N -3.78 0.57 -3.97 1.48 4.77 -0.14 -4.73 117.00 111.21 2kdx n LEU 112 Ca 0.12 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 2kdx n LEU 112 Cb 0.52 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2kdx n LEU 112 CO 0.49 -0.63 0.10 -0.44 -1.33 0.00 0.00 177.39 175.57 2kdx s SER 113 N -5.55 -0.05 -0.06 -1.43 0.01 -1.05 -5.03 113.70 100.54 2kdx s SER 113 Ca 0.00 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 2kdx s SER 113 Cb 0.00 0.52 0.04 0.00 0.21 0.00 0.00 66.02 66.79 2kdx s SER 113 CO 0.00 -1.03 0.07 -1.48 0.41 0.00 0.00 173.24 171.21 2kdx s LEU 114 N -2.99 0.14 0.43 2.44 2.34 -1.26 -0.46 118.68 119.31 2kdx s LEU 114 Ca 0.20 0.02 -0.22 0.00 0.06 0.00 0.00 54.13 54.18 2kdx s LEU 114 Cb 0.01 -0.11 -0.09 0.00 -0.56 0.00 0.00 46.19 45.44 2kdx s LEU 114 CO 0.05 -0.26 1.03 -1.61 -1.06 0.00 0.00 176.35 174.50 2kdx s GLU 115 N 2.18 4.07 -0.00 1.48 2.02 -0.06 -4.94 118.70 123.44 2kdx s GLU 115 Ca 0.05 1.41 0.01 0.00 0.02 0.00 0.00 54.97 56.45 2kdx s GLU 115 Cb -0.13 -2.36 -0.00 0.00 0.10 0.00 0.00 34.13 31.74 2kdx s GLU 115 CO -0.04 -0.21 -0.03 -1.64 0.02 0.00 0.00 175.26 173.36 2kdx s MET 116 N -2.80 0.26 0.05 1.61 -1.94 -1.26 -0.45 119.30 114.77 2kdx s MET 116 Ca 0.61 -0.12 0.01 0.00 -1.71 0.00 0.00 55.69 54.48 2kdx s MET 116 Cb -0.18 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.38 2kdx s MET 116 CO 0.23 0.07 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.74 2kdx s LEU 117 N -0.10 2.34 0.00 -0.03 1.43 -1.26 -4.84 118.68 116.23 2kdx s LEU 117 Ca 0.01 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2kdx s LEU 117 Cb -0.01 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.17 2kdx s LEU 117 CO -0.00 -0.34 0.00 0.00 0.23 0.00 0.00 176.35 176.24 2kdx n ALA 118 N 0.95 0.00 0.31 4.21 0.00 -1.26 -4.81 120.51 119.91 2kdx n ALA 118 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.27 2kdx n ALA 118 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.17 2kdx n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59