#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 3.71 -4.74 1.61 2.88 -1.26 -4.97 113.62 110.85 2kdx n SER 2 Ca 0.00 -2.80 -0.41 0.00 -1.33 0.00 0.00 58.87 54.33 2kdx n SER 2 Cb 0.00 -1.58 -0.04 0.00 -0.75 0.00 0.00 64.21 61.84 2kdx n SER 2 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2kdx s MET 3 N 4.57 4.63 0.51 -1.46 1.00 -1.26 -4.97 119.30 122.32 2kdx s MET 3 Ca 0.56 1.67 0.22 0.00 0.00 0.00 0.00 55.69 58.14 2kdx s MET 3 Cb 0.08 -3.29 1.38 0.00 0.00 0.00 0.00 34.83 33.01 2kdx s MET 3 CO 0.05 0.14 2.10 1.25 0.00 0.00 0.00 175.02 178.56 2kdx h HIS 4 N 5.02 0.00 -0.64 -0.03 -0.00 -2.01 -2.76 115.15 114.73 2kdx h HIS 4 Ca -0.44 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 59.99 2kdx h HIS 4 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.56 2kdx h HIS 4 CO 0.62 0.10 0.33 1.49 -0.00 0.00 0.00 177.93 180.48 2kdx h GLU 5 N 0.00 0.59 -0.02 5.26 4.57 -2.00 -2.28 114.58 120.70 2kdx h GLU 5 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2kdx h GLU 5 Cb 0.21 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2kdx h GLU 5 CO 0.01 0.39 0.00 0.66 -1.18 0.00 0.00 179.01 178.89 2kdx n TYR 6 N -4.84 0.02 0.23 0.92 4.01 -1.05 -4.23 117.16 112.22 2kdx n TYR 6 Ca 0.08 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 2kdx n TYR 6 Cb 0.20 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 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 1.42 -0.67 -0.35 7.72 0.87 -1.36 -1.70 113.55 119.48 2kdx h SER 7 Ca 0.00 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2kdx h SER 7 Cb 0.30 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 2kdx h SER 7 CO 0.00 -0.40 -0.01 0.58 -0.53 0.00 0.00 176.83 176.46 2kdx h VAL 8 N -0.62 0.73 0.43 2.23 2.07 -1.75 -1.19 116.25 118.15 2kdx h VAL 8 Ca -0.03 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2kdx h VAL 8 Cb 0.53 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2kdx h VAL 8 CO 0.01 0.01 -0.42 0.58 0.02 0.00 0.00 177.57 177.77 2kdx h VAL 9 N 0.08 0.00 -0.58 2.57 2.07 -1.76 -0.35 116.25 118.28 2kdx h VAL 9 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 2kdx h VAL 9 Cb 0.24 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2kdx h VAL 9 CO -0.30 0.00 0.38 -1.28 0.02 0.00 0.00 177.57 176.40 2kdx h SER 10 N -0.85 0.66 -0.13 0.57 0.87 -1.27 -2.34 113.55 111.06 2kdx h SER 10 Ca -0.05 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2kdx h SER 10 Cb 0.73 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2kdx h SER 10 CO -0.05 0.48 0.08 0.28 -0.53 0.00 0.00 176.83 177.09 2kdx h SER 11 N 0.78 0.16 0.26 6.23 0.02 -1.12 -1.96 113.55 117.93 2kdx h SER 11 Ca 0.22 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2kdx h SER 11 Cb -0.08 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2kdx h SER 11 CO -0.05 0.16 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.59 2kdx h LEU 12 N 0.14 -0.35 -0.53 5.07 3.38 -0.92 -1.13 115.31 120.97 2kdx h LEU 12 Ca 0.05 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2kdx h LEU 12 Cb 0.03 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2kdx h LEU 12 CO -0.01 -0.24 0.02 0.40 0.09 0.00 0.00 178.44 178.70 2kdx h ILE 13 N -0.38 0.59 -0.30 1.22 2.04 -1.39 1.00 117.51 120.28 2kdx h ILE 13 Ca -0.03 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kdx h ILE 13 Cb 0.31 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2kdx h ILE 13 CO 0.04 0.02 0.20 0.00 0.00 0.00 0.00 178.15 178.41 2kdx h ALA 14 N 1.47 0.39 -0.51 1.87 0.00 -1.22 -1.17 119.26 120.09 2kdx h ALA 14 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2kdx h ALA 14 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kdx h ALA 14 CO -0.44 -0.14 0.22 1.25 0.00 0.00 0.00 179.25 180.15 2kdx h LEU 15 N 0.40 0.69 -0.16 0.00 7.12 -0.44 -1.15 115.31 121.78 2kdx h LEU 15 Ca 0.11 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2kdx h LEU 15 Cb -0.03 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 2kdx h LEU 15 CO -0.02 0.66 0.10 0.00 -0.13 0.00 0.00 178.44 179.05 2kdx h GLU 17 N 0.20 0.15 -0.36 0.00 4.22 -1.06 -0.98 114.58 116.74 2kdx h GLU 17 Ca 0.06 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.54 2kdx h GLU 17 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2kdx h GLU 17 CO -0.01 0.10 0.11 1.49 -2.18 0.00 0.00 179.01 178.52 2kdx h GLU 18 N 0.16 0.24 -0.82 1.92 4.57 -1.09 -1.64 114.58 117.91 2kdx h GLU 18 Ca 0.14 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 2kdx h GLU 18 Cb 0.16 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 2kdx h GLU 18 CO -0.19 0.16 0.43 0.45 -1.18 0.00 0.00 179.01 178.68 2kdx h HIS 19 N 0.25 1.15 -0.42 0.92 3.86 -1.10 -2.07 115.15 117.74 2kdx h HIS 19 Ca 0.17 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2kdx h HIS 19 Cb 0.16 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2kdx h HIS 19 CO -0.16 0.81 0.12 0.00 0.86 0.00 0.00 177.93 179.56 2kdx h ALA 20 N 1.23 0.55 0.00 2.45 0.00 -0.52 0.54 119.26 123.50 2kdx h ALA 20 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kdx h ALA 20 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kdx h ALA 20 CO -0.04 0.20 0.00 1.57 0.00 0.00 0.00 179.25 180.98 2kdx h LYS 21 N 0.53 0.00 0.18 0.00 2.10 -1.31 0.69 116.57 118.76 2kdx h LYS 21 Ca 0.13 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.52 2kdx h LYS 21 Cb 0.27 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2kdx h LYS 21 CO -0.00 0.00 -1.20 -0.22 -2.00 0.00 0.00 179.45 176.02 2kdx h LYS 22 N 0.00 0.37 -0.00 0.07 1.63 -0.97 -3.33 116.57 114.34 2kdx h LYS 22 Ca 0.00 -0.63 0.00 0.00 -0.85 0.00 0.00 60.65 59.17 2kdx h LYS 22 Cb 0.59 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2kdx h LYS 22 CO 0.00 1.30 -0.03 -1.71 -3.45 0.00 0.00 179.45 175.57 2kdx n ASN 23 N -3.92 0.09 -1.44 4.20 2.85 0.14 -4.93 115.26 112.26 2kdx n ASN 23 Ca -0.18 -0.23 -0.17 0.00 -0.11 0.00 0.00 54.58 53.89 2kdx n ASN 23 Cb 0.94 -0.24 -0.06 0.00 1.24 0.00 0.00 39.78 41.66 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 -1.22 -1.24 -0.02 1.20 1.13 -0.54 -4.92 117.38 111.76 2kdx n GLN 24 Ca 0.14 1.07 -0.13 0.00 -1.94 0.00 0.00 57.00 56.14 2kdx n GLN 24 Cb 0.25 -5.34 -0.00 0.00 0.11 0.00 0.00 30.24 25.26 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 0.14 0.54 -1.01 -1.58 0.00 -1.22 -3.48 119.26 112.66 2kdx h ALA 25 Ca -0.37 -0.54 -0.26 0.00 0.00 0.00 0.00 54.91 53.74 2kdx h ALA 25 Cb 1.16 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2kdx h ALA 25 CO 0.52 0.70 -0.24 0.72 0.00 0.00 0.00 179.25 180.95 2kdx n HIS 26 N -3.95 -0.20 -3.82 0.00 8.25 -1.22 -4.89 115.22 109.39 2kdx n HIS 26 Ca -0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.37 2kdx n HIS 26 Cb 0.65 -2.63 0.00 0.00 1.12 0.00 0.00 29.99 29.13 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 -2.98 1.47 0.51 -0.41 -2.85 -1.26 -4.34 119.74 109.88 2kdx s LYS 27 Ca 0.00 -0.89 0.04 0.00 -1.00 0.00 0.00 55.97 54.12 2kdx s LYS 27 Cb 0.00 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2kdx s LYS 27 CO 0.00 -0.68 0.21 0.42 0.10 0.00 0.00 175.35 175.40 2kdx s ILE 28 N -2.76 1.54 0.06 3.79 1.01 -1.10 -4.77 121.20 118.96 2kdx s ILE 28 Ca 0.16 -1.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.08 2kdx s ILE 28 Cb -0.03 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 2kdx s ILE 28 CO 0.05 0.00 -0.02 1.21 0.00 0.00 0.00 174.94 176.18 2kdx n GLU 29 N -1.49 0.03 -3.29 2.79 2.13 0.40 -4.16 120.64 117.05 2kdx n GLU 29 Ca -0.09 0.01 -0.06 0.00 0.66 0.00 0.00 57.16 57.69 2kdx n GLU 29 Cb 0.65 -0.44 -0.06 0.00 0.27 0.00 0.00 31.44 31.86 2kdx n GLU 29 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2kdx s ARG 30 N -1.81 0.42 0.40 5.31 3.52 -0.88 -2.65 118.95 123.26 2kdx s ARG 30 Ca -0.02 0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 55.91 2kdx s ARG 30 Cb 0.00 -0.18 -0.10 0.00 -1.56 0.00 0.00 34.95 33.11 2kdx s ARG 30 CO 0.03 -0.74 0.98 0.14 -0.81 0.00 0.00 175.30 174.89 2kdx s VAL 31 N 2.63 4.15 -0.17 7.11 -7.23 -0.03 -1.02 120.40 125.84 2kdx s VAL 31 Ca 0.14 1.52 -0.00 0.00 -1.81 0.00 0.00 61.98 61.82 2kdx s VAL 31 Cb -0.14 -3.72 0.04 0.00 0.56 0.00 0.00 36.38 33.12 2kdx s VAL 31 CO -0.20 -0.12 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.72 2kdx s VAL 32 N -1.90 1.15 -0.13 1.32 1.01 0.01 -1.02 120.40 120.83 2kdx s VAL 32 Ca 0.58 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2kdx s VAL 32 Cb -0.15 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.94 2kdx s VAL 32 CO 0.19 0.12 -0.04 -0.69 0.00 0.00 0.00 175.10 174.68 2kdx s VAL 33 N 1.61 0.86 0.11 2.92 1.01 -0.11 -0.62 120.40 126.18 2kdx s VAL 33 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2kdx s VAL 33 Cb -0.15 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 2kdx s VAL 33 CO -0.08 0.19 0.95 -0.83 0.00 0.00 0.00 175.10 175.33 2kdx s GLY 34 N 1.75 3.00 -0.05 4.51 0.00 0.34 -0.87 107.32 116.00 2kdx s GLY 34 Ca 0.03 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.33 2kdx s GLY 34 CO -0.07 1.42 -0.11 -0.42 0.00 0.00 0.00 173.10 173.92 2kdx s ILE 35 N -0.06 0.99 0.45 0.90 1.01 -0.16 -1.23 121.20 123.11 2kdx s ILE 35 Ca 0.46 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 2kdx s ILE 35 Cb -0.23 -0.91 -0.08 0.00 0.01 0.00 0.00 42.46 41.25 2kdx s ILE 35 CO 0.29 0.32 1.35 -0.83 0.00 0.00 0.00 174.94 176.07 2kdx s GLY 36 N 0.60 2.90 0.38 6.18 0.00 -1.26 -1.28 107.32 114.85 2kdx s GLY 36 Ca -0.12 1.31 0.28 0.00 0.00 0.00 0.00 44.72 46.19 2kdx s GLY 36 CO 0.03 1.88 1.83 1.05 0.00 0.00 0.00 173.10 177.89 2kdx h GLU 37 N 2.26 0.00 -0.08 2.90 4.11 -1.05 -2.04 114.58 120.68 2kdx h GLU 37 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2kdx h GLU 37 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kdx h GLU 37 CO 0.61 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.23 2kdx n ARG 38 N -2.57 0.98 0.24 1.06 5.12 -1.26 -4.68 116.66 115.55 2kdx n ARG 38 Ca 0.01 -1.25 0.12 0.00 -1.93 0.00 0.00 57.85 54.80 2kdx n ARG 38 Cb 0.24 -1.16 0.59 0.00 -1.16 0.00 0.00 32.46 30.97 2kdx n ARG 38 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2kdx h SER 39 N 1.45 0.00 0.00 0.55 0.02 -1.68 -3.47 113.55 110.42 2kdx h SER 39 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kdx h SER 39 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kdx h SER 39 CO 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 2kdx n ALA 40 N -2.23 0.00 -1.55 3.77 0.00 -1.26 -4.96 120.51 114.27 2kdx n ALA 40 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 2kdx n ALA 40 Cb 0.34 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.68 2kdx n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdx s MET 41 N -1.53 2.92 -1.13 0.00 0.23 -1.26 -4.96 119.30 113.58 2kdx s MET 41 Ca 0.00 1.35 -0.21 0.00 -1.03 0.00 0.00 55.69 55.80 2kdx s MET 41 Cb 0.00 -1.97 0.05 0.00 -1.53 0.00 0.00 34.83 31.38 2kdx s MET 41 CO 0.00 -1.15 1.61 -0.51 -2.03 0.00 0.00 175.02 172.94 2kdx s ASP 42 N -2.62 6.49 0.56 -1.18 1.01 -1.26 -4.85 116.67 114.82 2kdx s ASP 42 Ca 0.66 -1.80 0.27 0.00 0.71 0.00 0.00 52.55 52.40 2kdx s ASP 42 Cb -0.20 -2.57 1.47 0.00 1.01 0.00 0.00 42.92 42.63 2kdx s ASP 42 CO 0.40 -1.52 1.98 0.07 0.21 0.00 0.00 175.17 176.32 2kdx h LYS 43 N 9.03 0.00 -0.81 8.23 2.10 -2.01 -1.46 116.57 131.66 2kdx h LYS 43 Ca 0.29 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 59.02 2kdx h LYS 43 Cb 0.95 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.22 2kdx h LYS 43 CO 1.42 0.00 0.47 1.03 -2.00 0.00 0.00 179.45 180.37 2kdx h SER 44 N 0.00 0.69 -0.41 7.07 0.87 -2.01 -2.27 113.55 117.50 2kdx h SER 44 Ca 0.23 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 2kdx h SER 44 Cb 1.02 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2kdx h SER 44 CO -0.00 0.41 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.45 2kdx h LEU 45 N 0.81 0.92 0.04 2.23 3.38 -1.68 -2.43 115.31 118.58 2kdx h LEU 45 Ca 0.38 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kdx h LEU 45 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kdx h LEU 45 CO -0.22 1.08 -0.02 0.15 0.09 0.00 0.00 178.44 179.52 2kdx h PHE 46 N 0.79 -0.04 -0.51 1.13 3.57 -1.44 0.10 116.94 120.54 2kdx h PHE 46 Ca 0.11 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2kdx h PHE 46 Cb 0.73 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2kdx h PHE 46 CO 0.04 0.02 -0.04 -0.24 -2.23 0.00 0.00 178.31 175.86 2kdx h VAL 47 N -0.10 1.27 -0.09 1.41 3.04 -1.53 -1.50 116.25 118.75 2kdx h VAL 47 Ca -0.00 -1.15 -0.08 0.00 -1.01 0.00 0.00 66.70 64.45 2kdx h VAL 47 Cb 0.09 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2kdx h VAL 47 CO 0.01 0.40 -0.30 0.77 -1.01 0.00 0.00 177.57 177.44 2kdx h SER 48 N 0.79 0.17 -0.01 3.17 4.64 -1.28 0.53 113.55 121.56 2kdx h SER 48 Ca 0.14 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2kdx h SER 48 Cb 0.58 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2kdx h SER 48 CO 0.03 0.47 -0.00 0.00 -0.87 0.00 0.00 176.83 176.47 2kdx h ALA 49 N 1.54 0.02 -0.13 5.18 0.00 -0.88 -1.35 119.26 123.64 2kdx h ALA 49 Ca 0.02 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2kdx h ALA 49 Cb 0.61 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2kdx h ALA 49 CO 0.04 -0.30 -0.33 0.35 0.00 0.00 0.00 179.25 179.01 2kdx h PHE 50 N -0.32 -0.92 -0.80 0.00 3.57 -0.90 -0.78 116.94 116.78 2kdx h PHE 50 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 2kdx h PHE 50 Cb 0.36 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 2kdx h PHE 50 CO 0.05 -0.41 0.48 0.93 -2.23 0.00 0.00 178.31 177.12 2kdx h GLU 51 N -0.41 0.82 -0.46 1.11 4.39 -0.92 -0.13 114.58 118.97 2kdx h GLU 51 Ca 0.09 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2kdx h GLU 51 Cb 0.56 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2kdx h GLU 51 CO -0.36 0.54 0.18 1.15 -1.16 0.00 0.00 179.01 179.37 2kdx h THR 52 N 0.85 1.21 0.00 1.13 2.02 -0.97 -3.32 112.91 113.83 2kdx h THR 52 Ca 0.36 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 2kdx h THR 52 Cb 0.24 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2kdx h THR 52 CO -0.20 0.24 -0.85 -0.26 0.37 0.00 0.00 175.52 174.83 2kdx h PHE 53 N 0.60 0.00 0.00 3.16 -1.00 -0.55 -3.37 116.94 115.78 2kdx h PHE 53 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2kdx h PHE 53 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2kdx h PHE 53 CO 0.00 0.55 0.00 2.89 -1.61 0.00 0.00 178.31 180.14 2kdx n ARG 54 N -3.11 0.16 0.00 1.51 -4.01 -0.12 -2.19 116.66 108.91 2kdx n ARG 54 Ca -0.02 0.58 0.02 0.00 -1.04 0.00 0.00 57.85 57.39 2kdx n ARG 54 Cb 0.78 -1.95 0.11 0.00 -3.04 0.00 0.00 32.46 28.36 2kdx n ARG 54 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kdx n GLU 55 N -2.29 0.00 0.28 2.89 1.02 -1.26 -2.68 120.64 118.60 2kdx n GLU 55 Ca -0.00 0.40 0.19 0.00 -0.02 0.00 0.00 57.16 57.72 2kdx n GLU 55 Cb 0.10 -1.50 0.95 0.00 -0.02 0.00 0.00 31.44 30.96 2kdx n GLU 55 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kdx h GLU 56 N 0.00 0.00 -4.81 3.49 4.57 -1.77 -3.44 114.58 112.61 2kdx h GLU 56 Ca 0.00 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.80 2kdx h GLU 56 Cb 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.54 2kdx h GLU 56 CO 0.00 0.00 -0.56 0.45 -1.18 0.00 0.00 179.01 177.72 2kdx s SER 57 N -4.98 1.21 -0.16 1.04 0.15 -1.09 -5.09 113.70 104.77 2kdx s SER 57 Ca -0.03 -1.54 -0.18 0.00 0.70 0.00 0.00 55.95 54.90 2kdx s SER 57 Cb 0.11 0.40 -0.23 0.00 -1.71 0.00 0.00 66.02 64.59 2kdx s SER 57 CO 0.40 -0.90 0.37 -0.07 1.20 0.00 0.00 173.24 174.24 2kdx h LEU 58 N 2.31 0.18 -1.83 3.45 -0.00 -1.86 -3.40 115.31 114.15 2kdx h LEU 58 Ca -0.33 -0.72 -0.03 0.00 -0.00 0.00 0.00 57.88 56.80 2kdx h LEU 58 Cb 1.25 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2kdx h LEU 58 CO 0.50 1.57 -0.13 -0.37 -0.00 0.00 0.00 178.44 180.01 2kdx h VAL 59 N -0.60 0.94 0.00 1.22 -1.51 -1.92 -2.69 116.25 111.68 2kdx h VAL 59 Ca -0.33 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.67 2kdx h VAL 59 Cb 1.55 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.96 2kdx h VAL 59 CO -0.07 0.12 -0.10 0.00 -1.23 0.00 0.00 177.57 176.30 2kdx h LYS 61 N 0.00 0.30 -4.93 0.00 1.57 -1.66 -3.36 116.57 108.49 2kdx h LYS 61 Ca -0.00 -0.52 -0.65 0.00 -1.87 0.00 0.00 60.65 57.61 2kdx h LYS 61 Cb 0.81 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2kdx h LYS 61 CO 0.01 1.21 2.43 -0.25 -0.57 0.00 0.00 179.45 182.29 2kdx n ASP 62 N -3.53 4.00 -3.78 0.86 8.00 -1.26 -4.90 116.55 115.94 2kdx n ASP 62 Ca -0.13 -2.83 -0.10 0.00 0.71 0.00 0.00 54.79 52.43 2kdx n ASP 62 Cb 1.05 -1.63 -0.07 0.00 -0.02 0.00 0.00 41.12 40.45 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 4.76 -0.52 0.05 2.24 0.00 -1.26 -3.22 121.76 123.82 2kdx s ALA 63 Ca 0.54 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.25 2kdx s ALA 63 Cb 0.09 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2kdx s ALA 63 CO 0.03 -0.50 -0.13 0.42 0.00 0.00 0.00 175.76 175.59 2kdx s ILE 64 N -3.35 0.98 -0.33 0.00 1.01 -1.09 -4.99 121.20 113.44 2kdx s ILE 64 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2kdx s ILE 64 Cb 0.02 -0.94 0.08 0.00 0.01 0.00 0.00 42.46 41.63 2kdx s ILE 64 CO -0.08 -0.18 0.04 -0.22 0.00 0.00 0.00 174.94 174.50 2kdx s LEU 65 N -1.48 4.34 -0.58 2.97 0.20 -1.26 -0.85 118.68 122.02 2kdx s LEU 65 Ca -0.02 -1.69 -0.28 0.00 0.69 0.00 0.00 54.13 52.83 2kdx s LEU 65 Cb -0.09 -1.69 0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2kdx s LEU 65 CO 0.02 -0.34 1.16 -1.81 -0.29 0.00 0.00 176.35 175.09 2kdx s ASP 66 N 1.27 6.43 -0.51 3.68 1.01 -0.19 -5.00 116.67 123.36 2kdx s ASP 66 Ca 0.01 0.03 -0.28 0.00 0.71 0.00 0.00 52.55 53.03 2kdx s ASP 66 Cb -0.20 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2kdx s ASP 66 CO -0.04 -1.46 1.57 -0.63 0.21 0.00 0.00 175.17 174.82 2kdx s ILE 67 N 4.85 3.66 -0.08 0.77 1.01 -1.26 -0.94 121.20 129.21 2kdx s ILE 67 Ca 0.41 0.57 -0.21 0.00 0.00 0.00 0.00 60.65 61.43 2kdx s ILE 67 Cb -0.08 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2kdx s ILE 67 CO 0.24 -0.92 0.58 -0.69 0.00 0.00 0.00 174.94 174.15 2kdx s VAL 68 N 6.74 5.10 -0.83 2.92 1.01 -0.05 -4.97 120.40 130.32 2kdx s VAL 68 Ca 0.62 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 63.53 2kdx s VAL 68 Cb -0.14 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2kdx s VAL 68 CO 0.27 0.31 1.71 -0.62 0.00 0.00 0.00 175.10 176.76 2kdx s ASP 69 N 0.60 5.64 -0.10 3.32 2.15 -1.26 -0.98 116.67 126.04 2kdx s ASP 69 Ca 0.31 -0.56 -0.30 0.00 0.43 0.00 0.00 52.55 52.43 2kdx s ASP 69 Cb -0.17 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 2kdx s ASP 69 CO 0.14 -2.23 1.17 -1.61 -0.17 0.00 0.00 175.17 172.47 2kdx s GLU 70 N 6.36 4.33 0.89 4.34 0.41 -0.40 -4.90 118.70 129.74 2kdx s GLU 70 Ca 0.58 1.60 -0.10 0.00 -0.41 0.00 0.00 54.97 56.65 2kdx s GLU 70 Cb -0.07 -3.60 0.13 0.00 -1.78 0.00 0.00 34.13 28.82 2kdx s GLU 70 CO 0.05 -0.49 1.14 -1.59 -0.49 0.00 0.00 175.26 173.88 2kdx s LYS 71 N 2.49 1.20 0.27 1.61 0.00 -1.26 -0.46 119.74 123.58 2kdx s LYS 71 Ca 0.54 1.49 0.11 0.00 0.00 0.00 0.00 55.97 58.11 2kdx s LYS 71 Cb -0.22 -1.75 -0.05 0.00 0.00 0.00 0.00 37.83 35.81 2kdx s LYS 71 CO 0.19 -2.49 -0.14 0.14 0.00 0.00 0.00 175.35 173.05 2kdx s VAL 72 N -2.69 2.78 -0.15 1.79 -7.23 -1.26 -4.16 120.40 109.48 2kdx s VAL 72 Ca 0.66 -2.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 2kdx s VAL 72 Cb -0.22 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.31 2kdx s VAL 72 CO 0.58 -0.36 0.41 -0.70 -0.31 0.00 0.00 175.10 174.72 2kdx s GLU 73 N -3.47 0.49 -0.46 4.82 2.12 -0.96 -4.83 118.70 116.41 2kdx s GLU 73 Ca 0.30 0.56 -0.03 0.00 0.36 0.00 0.00 54.97 56.15 2kdx s GLU 73 Cb -0.06 0.24 0.12 0.00 0.26 0.00 0.00 34.13 34.69 2kdx s GLU 73 CO 0.16 -0.06 0.26 -0.51 -0.54 0.00 0.00 175.26 174.57 2kdx s LEU 74 N 0.18 5.29 0.42 2.70 1.43 0.22 -1.44 118.68 127.48 2kdx s LEU 74 Ca -0.00 -2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 50.70 2kdx s LEU 74 Cb -0.03 -1.85 -0.11 0.00 0.03 0.00 0.00 46.19 44.24 2kdx s LEU 74 CO 0.01 -0.52 0.92 -0.70 0.23 0.00 0.00 176.35 176.29 2kdx s GLU 75 N 0.90 4.19 0.32 1.70 2.12 -0.89 -1.13 118.70 125.92 2kdx s GLU 75 Ca 0.10 1.05 -0.07 0.00 0.36 0.00 0.00 54.97 56.41 2kdx s GLU 75 Cb -0.22 -2.21 -0.06 0.00 0.26 0.00 0.00 34.13 31.89 2kdx s GLU 75 CO -0.04 -0.01 0.63 0.00 -0.54 0.00 0.00 175.26 175.30 2kdx h LYS 77 N 1.62 -0.78 -2.16 0.00 1.79 -1.93 -3.40 116.57 111.71 2kdx h LYS 77 Ca -0.47 0.05 -0.54 0.00 -2.18 0.00 0.00 60.65 57.51 2kdx h LYS 77 Cb 1.19 0.18 -0.41 0.00 -1.58 0.00 0.00 32.23 31.60 2kdx h LYS 77 CO 0.66 -0.52 -0.88 -3.47 -1.08 0.00 0.00 179.45 174.15 2kdx n ASP 78 N -4.40 2.89 0.00 0.86 2.03 -1.26 -5.04 116.55 111.62 2kdx n ASP 78 Ca -0.10 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.82 2kdx n ASP 78 Cb 0.32 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.10 -3.82 0.00 2.88 -1.26 -5.06 113.62 106.25 2kdx n SER 80 Ca 0.00 -2.04 -0.12 0.00 -1.33 0.00 0.00 58.87 55.38 2kdx n SER 80 Cb 0.00 0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.55 -0.05 0.03 0.66 5.65 -1.26 -5.13 115.29 114.65 2kdx s HIS 81 Ca 0.16 0.00 0.01 0.00 0.25 0.00 0.00 55.06 55.48 2kdx s HIS 81 Cb 0.25 0.01 -0.02 0.00 -1.18 0.00 0.00 32.58 31.64 2kdx s HIS 81 CO -0.08 -0.35 -0.05 0.14 -0.65 0.00 0.00 174.74 173.75 2kdx s VAL 82 N -1.56 0.28 0.18 0.89 -7.23 -1.26 -2.87 120.40 108.83 2kdx s VAL 82 Ca -0.13 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 2kdx s VAL 82 Cb -0.06 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 2kdx s VAL 82 CO 0.02 -0.54 0.18 2.22 -0.31 0.00 0.00 175.10 176.66 2kdx n PHE 83 N 1.30 -0.55 -4.52 2.82 1.16 -0.28 -4.97 117.46 112.42 2kdx n PHE 83 Ca -0.22 -1.48 -0.31 0.00 -1.87 0.00 0.00 57.45 53.57 2kdx n PHE 83 Cb 0.56 0.19 -0.11 0.00 -1.61 0.00 0.00 39.48 38.50 2kdx n PHE 83 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2kdx s LYS 84 N -2.68 2.24 -0.29 3.97 1.02 -1.26 -0.61 119.74 122.13 2kdx s LYS 84 Ca 0.21 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 55.01 2kdx s LYS 84 Cb 0.01 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2kdx s LYS 84 CO 0.15 0.55 1.86 -1.25 -0.92 0.00 0.00 175.35 175.74 2kdx s PRO 85 N -1.57 3.35 0.22 -1.68 0.04 -1.26 -4.73 135.00 129.37 2kdx s PRO 85 Ca 0.17 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2kdx s PRO 85 Cb -0.11 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2kdx s PRO 85 CO 0.07 -1.84 0.00 -1.71 0.04 0.00 0.00 177.00 173.56 2kdx n ASN 86 N 10.35 0.06 -4.67 6.66 2.85 -1.26 -5.12 115.26 124.13 2kdx n ASN 86 Ca 0.24 0.37 -0.29 0.00 -0.11 0.00 0.00 54.58 54.79 2kdx n ASN 86 Cb 0.46 0.23 0.17 0.00 1.24 0.00 0.00 39.78 41.89 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 -2.00 1.04 0.05 5.20 0.00 -1.26 -5.05 121.76 119.74 2kdx s ALA 87 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 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 -2.76 0.00 1.47 0.00 0.00 0.00 175.76 174.47 2kdx n LEU 88 N -4.15 0.09 0.23 0.00 -0.00 -1.26 -4.60 117.00 107.32 2kdx n LEU 88 Ca 0.06 0.08 0.07 0.00 -0.00 0.00 0.00 56.01 56.22 2kdx n LEU 88 Cb 0.56 0.02 0.55 0.00 -0.00 0.00 0.00 43.42 44.56 2kdx n LEU 88 CO 0.56 -0.57 0.90 -0.78 -0.00 0.00 0.00 177.39 177.51 2kdx h ASP 89 N 0.00 0.00 -0.11 1.45 3.58 -2.05 -2.63 116.42 116.66 2kdx h ASP 89 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2kdx h ASP 89 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2kdx h ASP 89 CO 0.00 0.19 -0.24 0.00 -2.88 0.00 0.00 179.24 176.31 2kdx n TYR 90 N -4.09 0.36 0.72 0.28 4.11 -1.26 -4.85 117.16 112.43 2kdx n TYR 90 Ca -0.02 -1.36 0.00 0.00 -0.00 0.00 0.00 57.90 56.52 2kdx n TYR 90 Cb 0.26 -0.29 0.00 0.00 -0.00 0.00 0.00 39.34 39.31 2kdx n TYR 90 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kdx n GLY 91 N -1.14 1.22 3.67 -7.48 0.00 -0.99 -4.87 105.19 95.60 2kdx n GLY 91 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.51 2.48 0.54 1.61 -7.23 -1.26 -4.74 120.40 111.29 2kdx s VAL 92 Ca 0.00 0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 60.12 2kdx s VAL 92 Cb 0.00 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 2kdx s VAL 92 CO 0.00 -0.20 1.20 0.00 -0.31 0.00 0.00 175.10 175.79 2kdx h GLU 94 N 1.33 0.56 0.19 0.00 4.39 -1.96 -3.32 114.58 115.76 2kdx h GLU 94 Ca -0.50 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 2kdx h GLU 94 Cb 1.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2kdx h GLU 94 CO 0.57 0.71 -0.09 0.87 -1.16 0.00 0.00 179.01 179.91 2kdx h LYS 95 N 0.35 -0.24 -5.12 2.33 1.57 -1.99 -3.46 116.57 110.02 2kdx h LYS 95 Ca 0.09 0.02 -0.65 0.00 -1.87 0.00 0.00 60.65 58.23 2kdx h LYS 95 Cb 0.46 0.06 -0.26 0.00 0.08 0.00 0.00 32.23 32.57 2kdx h LYS 95 CO 0.02 0.09 -0.72 0.00 -0.57 0.00 0.00 179.45 178.27 2kdx n HIS 97 N 4.31 2.42 -4.08 0.00 8.25 -1.26 -2.98 115.22 121.88 2kdx n HIS 97 Ca -0.18 -3.04 -0.09 0.00 -0.26 0.00 0.00 57.72 54.15 2kdx n HIS 97 Cb 0.52 -2.46 -0.10 0.00 1.12 0.00 0.00 29.99 29.06 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 2.28 0.62 -0.15 0.41 0.01 -1.26 -4.91 113.70 110.70 2kdx s SER 98 Ca 0.68 -0.81 0.17 0.00 1.31 0.00 0.00 55.95 57.30 2kdx s SER 98 Cb 0.17 0.13 0.76 0.00 0.21 0.00 0.00 66.02 67.29 2kdx s SER 98 CO -0.06 -0.43 1.67 0.29 0.41 0.00 0.00 173.24 175.12 2kdx n LYS 99 N 0.66 4.10 0.00 12.44 5.02 -1.26 -1.17 118.16 137.95 2kdx n LYS 99 Ca -0.17 -2.99 0.07 0.00 -2.02 0.00 0.00 58.31 53.20 2kdx n LYS 99 Cb 0.58 -2.01 0.39 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.97 0.00 -4.59 4.39 6.94 -1.26 -4.92 115.26 116.78 2kdx n ASN 100 Ca 0.27 -0.33 -0.35 0.00 -0.02 0.00 0.00 54.58 54.15 2kdx n ASN 100 Cb 0.99 -0.05 0.10 0.00 -2.36 0.00 0.00 39.78 38.45 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 -1.05 2.27 -4.30 3.53 0.24 -1.26 -4.49 118.33 113.27 2kdx n VAL 101 Ca 0.09 -0.32 -0.20 0.00 -2.04 0.00 0.00 64.34 61.87 2kdx n VAL 101 Cb 0.06 -1.03 -0.11 0.00 -1.47 0.00 0.00 33.84 31.28 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 -1.94 1.64 -0.51 1.34 -0.00 -0.01 -4.99 121.20 116.73 2kdx s ILE 102 Ca 0.71 -1.86 -0.28 0.00 -0.00 0.00 0.00 60.65 59.22 2kdx s ILE 102 Cb -0.32 -1.74 0.02 0.00 -0.00 0.00 0.00 42.46 40.41 2kdx s ILE 102 CO 0.53 -0.37 1.31 -0.63 -0.00 0.00 0.00 174.94 175.78 2kdx s ILE 103 N -2.13 3.96 -1.00 8.37 -1.09 -1.26 -2.09 121.20 125.96 2kdx s ILE 103 Ca 0.14 0.91 0.25 0.00 -2.23 0.00 0.00 60.65 59.71 2kdx s ILE 103 Cb -0.05 -4.47 -0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2kdx s ILE 103 CO 0.05 -1.06 1.39 1.07 -1.23 0.00 0.00 174.94 175.16 2kdx n THR 104 N 6.89 0.00 -3.65 2.92 5.66 -0.52 -4.73 114.28 120.84 2kdx n THR 104 Ca 0.13 -0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.07 2kdx n THR 104 Cb 0.49 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.48 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 -3.00 0.63 0.00 1.09 2.00 -1.25 -4.96 119.66 114.17 2kdx s GLN 105 Ca 0.11 1.28 0.00 0.00 -2.00 0.00 0.00 55.36 54.74 2kdx s GLN 105 Cb 0.17 0.40 0.00 0.00 0.80 0.00 0.00 33.01 34.38 2kdx s GLN 105 CO 0.71 -0.17 0.00 0.41 -0.50 0.00 0.00 175.29 175.73 2kdx n GLY 106 N 4.76 0.47 0.30 2.59 0.00 -1.26 -2.26 105.19 109.79 2kdx n GLY 106 Ca -0.17 -0.94 0.04 0.00 0.00 0.00 0.00 46.02 44.95 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 0.41 -5.23 1.61 -0.00 -1.93 -3.42 115.58 107.03 2kdx h ASN 107 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 56.30 56.20 2kdx h ASN 107 Cb 0.22 -0.10 -0.12 0.00 -0.00 0.00 0.00 38.32 38.32 2kdx h ASN 107 CO 0.00 0.32 -0.23 -1.83 -0.00 0.00 0.00 177.43 175.69 2kdx s GLU 108 N -5.39 1.24 0.43 6.67 -1.05 -1.26 -5.04 118.70 114.30 2kdx s GLU 108 Ca -0.08 -1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 53.38 2kdx s GLU 108 Cb 0.17 0.41 -0.08 0.00 -0.44 0.00 0.00 34.13 34.20 2kdx s GLU 108 CO 0.73 -0.47 1.19 0.00 0.95 0.00 0.00 175.26 177.65 2kdx s MET 109 N -3.95 3.89 -0.09 -4.83 0.23 -1.26 -4.63 119.30 108.66 2kdx s MET 109 Ca 0.16 1.85 -0.15 0.00 -1.03 0.00 0.00 55.69 56.52 2kdx s MET 109 Cb 0.02 -2.56 0.03 0.00 -1.53 0.00 0.00 34.83 30.80 2kdx s MET 109 CO 0.00 -0.46 0.38 1.03 -2.03 0.00 0.00 175.02 173.94 2kdx s ARG 110 N -2.48 0.58 0.63 3.16 0.52 -0.37 -5.01 118.95 115.98 2kdx s ARG 110 Ca 0.60 0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 55.86 2kdx s ARG 110 Cb -0.31 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.41 2kdx s ARG 110 CO 0.38 -0.12 1.28 -0.48 0.02 0.00 0.00 175.30 176.38 2kdx s LEU 111 N -0.49 3.62 -0.11 2.53 2.34 -1.26 -0.50 118.68 124.80 2kdx s LEU 111 Ca -0.06 2.59 -0.13 0.00 0.06 0.00 0.00 54.13 56.59 2kdx s LEU 111 Cb -0.04 -4.58 -0.04 0.00 -0.56 0.00 0.00 46.19 40.97 2kdx s LEU 111 CO 0.03 -1.89 -0.26 0.18 -1.06 0.00 0.00 176.35 173.35 2kdx n LEU 112 N -1.77 1.73 -3.78 1.48 7.99 0.20 -4.79 117.00 118.06 2kdx n LEU 112 Ca 0.15 0.28 -0.09 0.00 -0.01 0.00 0.00 56.01 56.34 2kdx n LEU 112 Cb 0.48 -0.64 -0.04 0.00 -0.11 0.00 0.00 43.42 43.12 2kdx n LEU 112 CO 0.47 -0.40 0.29 -0.94 -1.51 0.00 0.00 177.39 175.30 2kdx s SER 113 N -5.93 -0.25 -0.22 -1.43 1.04 -1.17 -5.04 113.70 100.70 2kdx s SER 113 Ca -0.21 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 2kdx s SER 113 Cb 0.03 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2kdx s SER 113 CO 0.32 -1.10 0.03 -0.76 0.98 0.00 0.00 173.24 172.71 2kdx s LEU 114 N -2.89 1.53 0.33 2.42 1.43 -1.26 -0.81 118.68 119.43 2kdx s LEU 114 Ca 0.11 -1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 51.93 2kdx s LEU 114 Cb -0.02 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.39 2kdx s LEU 114 CO -0.00 -0.31 1.01 -1.61 0.23 0.00 0.00 176.35 175.66 2kdx s GLU 115 N 1.76 4.49 -0.01 1.70 0.41 -0.19 -4.95 118.70 121.91 2kdx s GLU 115 Ca 0.00 1.52 0.03 0.00 -0.41 0.00 0.00 54.97 56.11 2kdx s GLU 115 Cb -0.17 -2.86 -0.01 0.00 -1.78 0.00 0.00 34.13 29.30 2kdx s GLU 115 CO -0.11 0.16 -0.11 -1.64 -0.49 0.00 0.00 175.26 173.07 2kdx s MET 116 N -1.95 0.88 -0.16 1.61 -1.94 -1.26 -0.46 119.30 116.03 2kdx s MET 116 Ca 0.50 -0.40 -0.29 0.00 -1.71 0.00 0.00 55.69 53.79 2kdx s MET 116 Cb -0.24 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.71 2kdx s MET 116 CO 0.30 0.23 1.64 -0.51 -0.01 0.00 0.00 175.02 176.67 2kdx s LEU 117 N -0.28 4.04 0.23 -0.03 1.43 -1.26 -4.79 118.68 118.02 2kdx s LEU 117 Ca 0.04 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2kdx s LEU 117 Cb -0.04 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2kdx s LEU 117 CO -0.00 -1.15 0.00 0.00 0.23 0.00 0.00 176.35 175.42 2kdx n ALA 118 N 8.05 3.00 0.26 4.21 0.00 -1.26 -5.00 120.51 129.77 2kdx n ALA 118 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.65 2kdx n ALA 118 Cb 0.44 0.06 0.12 0.00 0.00 0.00 0.00 19.45 20.08 2kdx n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59