#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x s VAL 2 N 0.00 2.01 0.03 1.12 -7.23 -1.26 -5.05 120.40 110.02 2k3x s VAL 2 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2k3x s VAL 2 Cb 0.00 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2k3x s VAL 2 CO 0.00 -0.00 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.12 2k3x s ASP 3 N -3.39 0.44 0.00 4.85 2.15 -1.26 -4.79 116.67 114.67 2k3x s ASP 3 Ca 0.66 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2k3x s ASP 3 Cb -0.19 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.51 2k3x s ASP 3 CO 0.58 -0.28 0.00 -0.11 -0.17 0.00 0.00 175.17 175.20 2k3x n LEU 4 N 1.52 0.00 0.06 -1.34 7.94 -1.26 -4.55 117.00 119.37 2k3x n LEU 4 Ca -0.23 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.74 2k3x n LEU 4 Cb 0.55 0.00 0.32 0.00 0.53 0.00 0.00 43.42 44.82 2k3x n LEU 4 CO 0.20 0.00 0.72 -0.62 -1.11 0.00 0.00 177.39 176.58 2k3x n GLU 5 N 0.00 0.07 0.25 1.96 1.02 -1.26 -1.65 120.64 121.03 2k3x n GLU 5 Ca 0.00 0.42 0.10 0.00 -0.02 0.00 0.00 57.16 57.66 2k3x n GLU 5 Cb 0.00 -1.67 0.66 0.00 -0.02 0.00 0.00 31.44 30.41 2k3x n GLU 5 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2k3x h GLN 6 N 0.00 0.00 -7.07 3.49 4.15 -1.80 -3.39 115.11 110.49 2k3x h GLN 6 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.91 2k3x h GLN 6 Cb 0.17 0.00 0.08 0.00 0.21 0.00 0.00 27.48 27.94 2k3x h GLN 6 CO 0.00 0.13 0.45 -1.21 -1.93 0.00 0.00 178.83 176.27 2k3x s GLU 7 N -4.46 3.37 0.58 1.69 2.02 -0.66 -4.02 118.70 117.21 2k3x s GLU 7 Ca -0.04 1.70 -0.19 0.00 0.02 0.00 0.00 54.97 56.46 2k3x s GLU 7 Cb 0.15 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 2k3x s GLU 7 CO 0.63 -0.85 0.98 1.97 0.02 0.00 0.00 175.26 178.00 2k3x n PHE 8 N -1.17 0.90 -3.80 1.61 -1.74 -1.26 -4.66 117.46 107.34 2k3x n PHE 8 Ca 0.11 0.45 -0.14 0.00 -0.56 0.00 0.00 57.45 57.31 2k3x n PHE 8 Cb 0.50 -2.16 -0.15 0.00 1.52 0.00 0.00 39.48 39.19 2k3x n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3x s ALA 9 N -1.48 0.05 -1.13 1.98 0.00 -1.26 -4.97 121.76 114.95 2k3x s ALA 9 Ca 0.74 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.94 2k3x s ALA 9 Cb -0.43 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.56 2k3x s ALA 9 CO 0.48 -0.08 0.98 1.47 0.00 0.00 0.00 175.76 178.61 2k3x n LEU 10 N 3.87 0.00 -0.84 0.00 -0.00 -1.26 -0.72 117.00 118.05 2k3x n LEU 10 Ca -0.23 0.44 0.04 0.00 -0.00 0.00 0.00 56.01 56.25 2k3x n LEU 10 Cb 0.53 -0.44 0.05 0.00 -0.00 0.00 0.00 43.42 43.57 2k3x n LEU 10 CO 0.23 -0.42 0.23 0.61 -0.00 0.00 0.00 177.39 178.05 2k3x n GLY 11 N -1.32 1.90 0.00 1.47 0.00 -1.26 -4.06 105.19 101.92 2k3x n GLY 11 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2k3x n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3x n GLY 12 N -0.15 1.11 3.26 -0.02 0.00 0.10 -5.04 105.19 104.45 2k3x n GLY 12 Ca 0.07 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2k3x n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3x s ARG 13 N 0.83 1.20 0.32 1.61 0.52 -1.26 -4.39 118.95 117.78 2k3x s ARG 13 Ca 0.00 -1.61 0.02 0.00 -0.52 0.00 0.00 55.73 53.62 2k3x s ARG 13 Cb 0.00 -0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 2k3x s ARG 13 CO 0.00 -0.19 0.35 0.00 0.02 0.00 0.00 175.30 175.48 2k3x s LEU 15 N -3.28 1.58 -0.11 0.00 2.01 0.03 -0.50 118.68 118.41 2k3x s LEU 15 Ca 0.36 -0.03 -0.01 0.00 0.01 0.00 0.00 54.13 54.46 2k3x s LEU 15 Cb 0.02 -0.15 0.03 0.00 0.01 0.00 0.00 46.19 46.09 2k3x s LEU 15 CO 0.22 -0.04 -0.04 0.00 1.01 0.00 0.00 176.35 177.50 2k3x s ALA 16 N 0.48 1.14 0.62 4.21 0.00 -0.22 -1.39 121.76 126.60 2k3x s ALA 16 Ca -0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2k3x s ALA 16 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2k3x s ALA 16 CO -0.01 -0.52 1.06 -0.06 0.00 0.00 0.00 175.76 176.23 2k3x s PHE 17 N 1.79 3.02 0.00 0.00 0.08 -0.42 -1.40 117.98 121.05 2k3x s PHE 17 Ca 0.04 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.58 2k3x s PHE 17 Cb -0.13 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.34 2k3x s PHE 17 CO -0.07 -1.14 0.00 0.72 -0.10 0.00 0.00 175.22 174.63 2k3x n HIS 18 N -2.30 0.00 0.00 0.36 8.25 -0.73 -4.84 115.22 115.97 2k3x n HIS 18 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2k3x n HIS 18 Cb 0.53 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.85 2k3x n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3x n GLY 19 N 2.29 0.70 0.31 -1.41 0.00 -1.26 -4.92 105.19 100.91 2k3x n GLY 19 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2k3x n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3x h PRO 20 N 0.00 0.72 0.00 1.61 0.11 -2.04 -3.45 132.00 128.95 2k3x h PRO 20 Ca 0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 2k3x h PRO 20 Cb 0.00 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 2k3x h PRO 20 CO 0.00 0.47 -0.05 -0.11 -0.21 0.00 0.00 178.00 178.10 2k3x n LEU 21 N -4.79 0.00 -4.52 2.35 7.94 -1.26 -5.01 117.00 111.71 2k3x n LEU 21 Ca 0.16 -1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 53.71 2k3x n LEU 21 Cb 0.36 0.99 -0.10 0.00 0.53 0.00 0.00 43.42 45.20 2k3x n LEU 21 CO 0.24 -0.25 -0.44 -0.32 -1.11 0.00 0.00 177.39 175.51 2k3x s MET 22 N -2.30 1.88 0.02 1.96 -2.45 -1.26 -1.77 119.30 115.38 2k3x s MET 22 Ca 0.11 -1.42 0.04 0.00 -1.25 0.00 0.00 55.69 53.17 2k3x s MET 22 Cb -0.00 -2.02 -0.02 0.00 1.25 0.00 0.00 34.83 34.04 2k3x s MET 22 CO 0.08 0.40 -0.12 0.71 1.05 0.00 0.00 175.02 177.14 2k3x s TYR 23 N -1.86 1.06 0.43 4.11 2.02 -0.49 -4.95 117.35 117.67 2k3x s TYR 23 Ca 0.25 -0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 56.43 2k3x s TYR 23 Cb -0.08 -0.65 -0.08 0.00 -0.40 0.00 0.00 41.96 40.75 2k3x s TYR 23 CO 0.14 0.00 1.20 -2.00 -1.57 0.00 0.00 175.55 173.32 2k3x s GLU 24 N -0.74 3.89 0.15 -0.62 2.12 -1.26 -1.06 118.70 121.17 2k3x s GLU 24 Ca 0.02 1.88 0.06 0.00 0.36 0.00 0.00 54.97 57.29 2k3x s GLU 24 Cb -0.06 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 2k3x s GLU 24 CO 0.00 -0.48 -0.13 0.00 -0.54 0.00 0.00 175.26 174.12 2k3x s ALA 25 N -1.43 1.59 -0.28 6.30 0.00 0.35 -1.11 121.76 127.17 2k3x s ALA 25 Ca 0.60 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2k3x s ALA 25 Cb -0.31 -0.04 0.14 0.00 0.00 0.00 0.00 23.12 22.91 2k3x s ALA 25 CO 0.39 0.03 0.32 0.21 0.00 0.00 0.00 175.76 176.71 2k3x s LYS 26 N -3.24 0.34 0.59 0.00 2.36 -0.94 -0.37 119.74 118.48 2k3x s LYS 26 Ca 0.14 -0.03 -0.18 0.00 -2.55 0.00 0.00 55.97 53.36 2k3x s LYS 26 Cb -0.02 -0.59 -0.03 0.00 -1.05 0.00 0.00 37.83 36.14 2k3x s LYS 26 CO 0.03 -0.99 1.17 0.42 1.55 0.00 0.00 175.35 177.53 2k3x s ILE 27 N 2.41 2.87 0.06 5.43 1.01 -1.26 -1.37 121.20 130.35 2k3x s ILE 27 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2k3x s ILE 27 Cb -0.14 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2k3x s ILE 27 CO -0.30 -0.14 0.00 -0.11 0.00 0.00 0.00 174.94 174.38 2k3x n LEU 28 N -1.68 -0.06 -4.70 2.97 0.00 -0.30 -4.43 117.00 108.80 2k3x n LEU 28 Ca 0.12 0.10 -0.36 0.00 0.00 0.00 0.00 56.01 55.88 2k3x n LEU 28 Cb 0.50 0.11 -0.09 0.00 0.00 0.00 0.00 43.42 43.95 2k3x n LEU 28 CO 0.44 -0.55 -0.18 -0.75 0.00 0.00 0.00 177.39 176.35 2k3x s LYS 29 N -2.00 4.15 -0.46 1.96 2.47 -1.18 -3.88 119.74 120.80 2k3x s LYS 29 Ca 0.00 -0.24 0.04 0.00 -1.56 0.00 0.00 55.97 54.21 2k3x s LYS 29 Cb 0.00 -3.46 0.12 0.00 -1.46 0.00 0.00 37.83 33.03 2k3x s LYS 29 CO 0.00 0.22 0.19 0.96 0.16 0.00 0.00 175.35 176.88 2k3x s ILE 30 N 0.60 2.47 0.48 5.43 -0.00 0.25 -1.48 121.20 128.97 2k3x s ILE 30 Ca 0.08 -2.99 -0.21 0.00 -0.00 0.00 0.00 60.65 57.53 2k3x s ILE 30 Cb -0.12 -2.75 -0.08 0.00 -0.00 0.00 0.00 42.46 39.51 2k3x s ILE 30 CO 0.00 -0.73 1.06 0.86 -0.00 0.00 0.00 174.94 176.13 2k3x s TRP 31 N 0.11 2.96 -0.15 1.37 -0.11 -0.03 -3.14 118.94 119.95 2k3x s TRP 31 Ca 0.15 1.58 -0.05 0.00 1.22 0.00 0.00 56.10 59.00 2k3x s TRP 31 Cb -0.24 -3.13 0.07 0.00 -1.50 0.00 0.00 33.47 28.68 2k3x s TRP 31 CO -0.03 -0.97 0.30 0.34 -4.62 0.00 0.00 176.95 171.97 2k3x s ASP 32 N -1.86 0.26 0.00 5.86 -1.08 -1.10 -1.64 116.67 117.11 2k3x s ASP 32 Ca 0.67 0.63 0.11 0.00 -0.52 0.00 0.00 52.55 53.44 2k3x s ASP 32 Cb -0.19 0.84 0.55 0.00 -1.46 0.00 0.00 42.92 42.66 2k3x s ASP 32 CO 0.23 -0.24 1.26 -0.81 0.52 0.00 0.00 175.17 176.12 2k3x n PRO 33 N 5.36 0.14 0.28 4.34 -0.04 -1.26 -2.69 135.00 141.13 2k3x n PRO 33 Ca -0.06 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2k3x n PRO 33 Cb 0.50 -1.50 0.80 0.00 -0.04 0.00 0.00 33.50 33.26 2k3x n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3x h SER 34 N 0.00 0.00 0.00 3.54 0.02 -1.93 -2.88 113.55 112.30 2k3x h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 34 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3x h SER 34 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 2k3x n SER 35 N -4.13 0.24 -3.86 3.07 7.64 -1.21 -5.03 113.62 110.34 2k3x n SER 35 Ca -0.03 -0.58 -0.28 0.00 1.01 0.00 0.00 58.87 58.99 2k3x n SER 35 Cb 0.09 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2k3x n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3x n LYS 36 N -0.43 -2.60 -4.18 1.43 5.02 -1.09 -5.01 118.16 111.30 2k3x n LYS 36 Ca 0.00 0.41 -0.17 0.00 -2.02 0.00 0.00 58.31 56.53 2k3x n LYS 36 Cb 0.03 -4.34 -0.06 0.00 -0.02 0.00 0.00 35.03 30.64 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3x s MET 37 N -6.39 1.85 0.00 1.97 -1.94 -1.24 -4.80 119.30 108.75 2k3x s MET 37 Ca 0.17 -1.89 0.00 0.00 -1.71 0.00 0.00 55.69 52.26 2k3x s MET 37 Cb -0.06 0.39 0.00 0.00 2.01 0.00 0.00 34.83 37.17 2k3x s MET 37 CO 0.88 -0.73 0.00 2.48 -0.01 0.00 0.00 175.02 177.64 2k3x n TYR 38 N -0.60 -0.05 -3.59 -0.03 0.18 -1.25 -2.71 117.16 109.11 2k3x n TYR 38 Ca 0.04 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.70 2k3x n TYR 38 Cb 0.62 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.52 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2k3x s THR 39 N -0.48 0.00 0.26 -3.48 -4.23 -1.19 -3.74 115.64 102.78 2k3x s THR 39 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.32 2k3x s THR 39 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2k3x s THR 39 CO 0.00 0.00 0.65 -0.44 -0.54 0.00 0.00 174.62 174.29 2k3x s SER 40 N -0.61 -0.25 0.07 3.99 0.01 -1.24 -0.58 113.70 115.07 2k3x s SER 40 Ca -0.02 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2k3x s SER 40 Cb -0.02 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.85 2k3x s SER 40 CO 0.01 -1.25 -0.05 0.27 0.41 0.00 0.00 173.24 172.63 2k3x s ILE 41 N -3.92 0.41 -0.64 1.44 -5.25 -1.25 -0.88 121.20 111.11 2k3x s ILE 41 Ca 0.12 -1.81 -0.26 0.00 -0.99 0.00 0.00 60.65 57.71 2k3x s ILE 41 Cb -0.04 -1.52 -0.06 0.00 2.95 0.00 0.00 42.46 43.80 2k3x s ILE 41 CO 0.05 -0.92 2.13 -2.16 -1.79 0.00 0.00 174.94 172.25 2k3x s PRO 42 N -3.73 2.30 0.00 0.37 0.04 -0.95 -4.65 135.00 128.38 2k3x s PRO 42 Ca 0.08 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2k3x s PRO 42 Cb 0.06 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2k3x s PRO 42 CO -0.07 -3.24 0.06 -1.71 0.04 0.00 0.00 177.00 172.07 2k3x n ASN 43 N 14.79 0.11 -0.38 6.66 5.15 -1.26 -5.02 115.26 135.31 2k3x n ASN 43 Ca 0.32 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2k3x n ASN 43 Cb 0.51 0.33 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k3x n ASP 44 N -0.33 0.00 -3.69 1.20 -0.08 -1.26 -5.02 116.55 107.37 2k3x n ASP 44 Ca 0.00 -0.38 -0.28 0.00 -1.51 0.00 0.00 54.79 52.62 2k3x n ASP 44 Cb 0.04 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.38 2k3x n ASP 44 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2k3x s LYS 45 N -0.15 1.65 0.18 -0.67 1.02 -1.26 -3.76 119.74 116.74 2k3x s LYS 45 Ca 0.00 -2.58 -0.14 0.00 0.02 0.00 0.00 55.97 53.27 2k3x s LYS 45 Cb 0.00 -2.50 0.15 0.00 -0.52 0.00 0.00 37.83 34.96 2k3x s LYS 45 CO 0.00 -1.28 1.70 -1.35 -0.92 0.00 0.00 175.35 173.50 2k3x h PRO 46 N 5.86 0.14 0.00 -1.68 0.11 -1.82 -3.48 132.00 131.14 2k3x h PRO 46 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2k3x h PRO 46 Cb 0.85 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2k3x h PRO 46 CO 0.54 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 2k3x n GLY 47 N -1.28 3.18 0.27 -0.55 0.00 -1.26 -4.85 105.19 100.70 2k3x n GLY 47 Ca 0.04 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.18 2k3x n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3x h GLY 48 N 0.00 0.00 -4.92 -0.02 0.00 -1.91 -3.41 103.07 92.81 2k3x h GLY 48 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2k3x h GLY 48 CO 0.00 0.00 -0.73 -1.35 0.00 0.00 0.00 176.54 174.46 2k3x s SER 49 N -6.65 0.66 0.35 0.19 1.04 -1.26 -4.92 113.70 103.11 2k3x s SER 49 Ca -0.05 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2k3x s SER 49 Cb 0.16 0.03 0.65 0.00 0.10 0.00 0.00 66.02 66.96 2k3x s SER 49 CO 0.62 -0.18 1.96 0.28 0.98 0.00 0.00 173.24 176.90 2k3x h SER 50 N 4.80 0.59 0.00 7.02 0.02 -1.96 -3.27 113.55 120.75 2k3x h SER 50 Ca -0.33 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2k3x h SER 50 Cb 1.20 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2k3x h SER 50 CO 0.42 0.52 -0.25 0.00 -1.14 0.00 0.00 176.83 176.39 2k3x n GLN 51 N -4.38 0.00 -3.63 3.45 10.64 -1.26 -4.65 117.38 117.55 2k3x n GLN 51 Ca 0.04 -0.49 -0.23 0.00 -1.83 0.00 0.00 57.00 54.49 2k3x n GLN 51 Cb 0.13 -0.25 0.07 0.00 -0.86 0.00 0.00 30.24 29.33 2k3x n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k3x n ALA 52 N 0.00 -1.61 -1.27 2.61 0.00 -1.25 -4.17 120.51 114.82 2k3x n ALA 52 Ca 0.00 0.15 -0.51 0.00 0.00 0.00 0.00 53.44 53.08 2k3x n ALA 52 Cb 0.60 -3.93 -0.12 0.00 0.00 0.00 0.00 19.45 15.99 2k3x n ALA 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3x n THR 53 N -4.60 0.00 -2.13 0.00 -1.04 -1.26 -2.23 114.28 103.02 2k3x n THR 53 Ca -0.11 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 2k3x n THR 53 Cb 0.60 -0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 68.63 2k3x n THR 53 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k3x n LYS 54 N 7.47 -0.58 -1.61 -2.82 5.02 -1.26 -4.27 118.16 120.11 2k3x n LYS 54 Ca 0.56 0.38 -0.36 0.00 -2.02 0.00 0.00 58.31 56.87 2k3x n LYS 54 Cb -0.02 -0.71 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k3x s GLU 55 N -0.59 2.15 0.07 1.97 -1.05 -1.26 -3.90 118.70 116.08 2k3x s GLU 55 Ca 0.00 1.31 -0.31 0.00 -0.15 0.00 0.00 54.97 55.82 2k3x s GLU 55 Cb 0.00 -4.57 -0.06 0.00 -0.44 0.00 0.00 34.13 29.06 2k3x s GLU 55 CO 0.00 -3.24 1.28 0.42 0.95 0.00 0.00 175.26 174.68 2k3x s ILE 56 N 11.91 3.76 0.49 1.83 1.01 -0.06 -4.96 121.20 135.19 2k3x s ILE 56 Ca 0.94 1.25 -0.20 0.00 0.00 0.00 0.00 60.65 62.64 2k3x s ILE 56 Cb -0.16 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 2k3x s ILE 56 CO 0.25 0.08 1.04 -0.54 0.00 0.00 0.00 174.94 175.77 2k3x s LYS 57 N 1.25 3.78 0.15 2.79 -0.14 -1.26 -3.72 119.74 122.58 2k3x s LYS 57 Ca 0.61 1.33 -0.34 0.00 -1.36 0.00 0.00 55.97 56.21 2k3x s LYS 57 Cb -0.32 -2.09 -0.15 0.00 -1.68 0.00 0.00 37.83 33.59 2k3x s LYS 57 CO 0.29 -0.45 1.40 -2.30 -0.76 0.00 0.00 175.35 173.53 2k3x n PRO 58 N -1.06 1.60 -3.95 -1.68 -0.02 -1.25 -4.82 135.00 123.83 2k3x n PRO 58 Ca 0.09 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2k3x n PRO 58 Cb 0.53 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 2k3x n PRO 58 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k3x s GLN 59 N 0.34 0.19 0.12 -0.52 0.74 -1.26 -4.94 119.66 114.33 2k3x s GLN 59 Ca 0.78 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.91 2k3x s GLN 59 Cb -0.80 0.02 0.29 0.00 1.10 0.00 0.00 33.01 33.62 2k3x s GLN 59 CO 0.45 -0.02 1.02 1.63 -0.55 0.00 0.00 175.29 177.83 2k3x n LYS 60 N 2.28 0.04 -1.29 1.67 4.76 -1.26 -3.90 118.16 120.45 2k3x n LYS 60 Ca -0.18 0.42 0.17 0.00 -2.87 0.00 0.00 58.31 55.85 2k3x n LYS 60 Cb 0.57 -1.83 -0.05 0.00 -1.84 0.00 0.00 35.03 31.89 2k3x n LYS 60 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k3x n LEU 61 N -1.61 -0.64 0.00 -0.35 -0.00 -1.26 -4.93 117.00 108.20 2k3x n LEU 61 Ca -0.00 1.41 0.00 0.00 -0.00 0.00 0.00 56.01 57.42 2k3x n LEU 61 Cb 0.22 -3.98 0.00 0.00 -0.00 0.00 0.00 43.42 39.66 2k3x n LEU 61 CO 0.02 -3.44 0.00 0.61 -0.00 0.00 0.00 177.39 174.59 2k3x n GLY 62 N -3.84 1.82 0.13 1.47 0.00 -1.26 -5.04 105.19 98.47 2k3x n GLY 62 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2k3x n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3x h GLU 63 N 0.00 0.35 0.00 1.61 4.39 -1.96 -3.44 114.58 115.53 2k3x h GLU 63 Ca 0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2k3x h GLU 63 Cb 0.00 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k3x h GLU 63 CO 0.00 1.25 0.00 -3.47 -1.16 0.00 0.00 179.01 175.63 2k3x n ASP 64 N -3.55 0.00 -4.09 1.42 2.03 -1.26 -4.91 116.55 106.19 2k3x n ASP 64 Ca -0.18 -0.84 -0.07 0.00 0.52 0.00 0.00 54.79 54.22 2k3x n ASP 64 Cb 1.06 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.36 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3x s GLU 65 N 0.00 0.61 -0.18 -0.67 1.03 -1.26 -4.96 118.70 113.26 2k3x s GLU 65 Ca 0.00 -1.19 -0.17 0.00 0.03 0.00 0.00 54.97 53.64 2k3x s GLU 65 Cb 0.00 0.17 0.05 0.00 -0.80 0.00 0.00 34.13 33.54 2k3x s GLU 65 CO 0.00 -0.10 0.49 -1.12 -1.33 0.00 0.00 175.26 173.20 2k3x s SER 66 N -2.84 -0.51 -0.27 0.83 0.01 -1.26 -4.14 113.70 105.52 2k3x s SER 66 Ca 0.06 0.99 -0.10 0.00 1.31 0.00 0.00 55.95 58.21 2k3x s SER 66 Cb 0.07 1.00 -0.04 0.00 0.21 0.00 0.00 66.02 67.26 2k3x s SER 66 CO -0.09 -0.17 0.14 0.27 0.41 0.00 0.00 173.24 173.80 2k3x s ILE 67 N 0.27 4.95 0.61 1.44 -0.00 -1.26 -4.85 121.20 122.37 2k3x s ILE 67 Ca -0.00 0.05 -0.19 0.00 -0.00 0.00 0.00 60.65 60.51 2k3x s ILE 67 Cb -0.03 -3.34 -0.02 0.00 -0.00 0.00 0.00 42.46 39.06 2k3x s ILE 67 CO 0.01 0.29 1.30 -2.84 -0.00 0.00 0.00 174.94 173.69 2k3x s PRO 68 N 1.64 2.77 0.58 0.37 0.02 -1.26 -4.84 135.00 134.29 2k3x s PRO 68 Ca 0.07 2.08 0.28 0.00 0.02 0.00 0.00 61.00 63.44 2k3x s PRO 68 Cb -0.15 -1.96 1.61 0.00 0.02 0.00 0.00 34.50 34.01 2k3x s PRO 68 CO 0.08 -1.43 2.07 0.93 -0.33 0.00 0.00 177.00 178.31 2k3x h GLU 69 N 0.84 0.00 -0.88 5.54 5.08 -1.99 -1.54 114.58 121.62 2k3x h GLU 69 Ca -0.51 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2k3x h GLU 69 Cb 1.32 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 2k3x h GLU 69 CO 0.54 0.00 0.57 1.49 -1.00 0.00 0.00 179.01 180.62 2k3x h GLU 70 N 0.00 0.79 0.00 2.33 4.57 -2.04 -3.14 114.58 117.09 2k3x h GLU 70 Ca 0.11 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 58.03 2k3x h GLU 70 Cb 0.60 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2k3x h GLU 70 CO -0.00 0.52 -2.01 0.44 -1.18 0.00 0.00 179.01 176.78 2k3x n ILE 71 N -4.54 0.81 -0.34 2.32 -5.35 -0.62 -4.69 119.36 106.94 2k3x n ILE 71 Ca 0.16 -0.60 0.17 0.00 -0.27 0.00 0.00 62.75 62.21 2k3x n ILE 71 Cb 0.36 -0.40 0.39 0.00 -1.74 0.00 0.00 39.64 38.26 2k3x n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3x h ILE 72 N 0.00 0.59 0.00 7.28 2.04 -1.39 -1.79 117.51 124.23 2k3x h ILE 72 Ca -0.32 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2k3x h ILE 72 Cb 1.67 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2k3x h ILE 72 CO 0.02 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 177.82 2k3x n ASN 73 N -4.79 0.00 -3.25 1.72 0.23 -1.26 -4.15 115.26 103.76 2k3x n ASN 73 Ca 0.25 -0.61 -0.19 0.00 -0.53 0.00 0.00 54.58 53.51 2k3x n ASN 73 Cb 0.72 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.35 2k3x n ASN 73 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2k3x s GLY 74 N -1.84 2.21 0.26 4.83 0.00 -0.67 -4.96 107.32 107.14 2k3x s GLY 74 Ca 0.14 -1.98 -0.30 0.00 0.00 0.00 0.00 44.72 42.58 2k3x s GLY 74 CO 0.11 -1.37 1.16 0.28 0.00 0.00 0.00 173.10 173.28 2k3x n LYS 75 N -0.64 1.53 -4.83 2.90 4.76 -1.26 -4.47 118.16 116.16 2k3x n LYS 75 Ca 0.06 0.54 -0.26 0.00 -2.87 0.00 0.00 58.31 55.78 2k3x n LYS 75 Cb 0.62 -2.02 -0.16 0.00 -1.84 0.00 0.00 35.03 31.62 2k3x n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3x s PHE 77 N 0.13 3.64 -0.12 0.00 0.08 0.06 -0.85 117.98 120.91 2k3x s PHE 77 Ca -0.06 -2.66 -0.29 0.00 0.12 0.00 0.00 56.93 54.04 2k3x s PHE 77 Cb -0.12 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 2k3x s PHE 77 CO 0.03 -0.94 1.58 0.12 -0.10 0.00 0.00 175.22 175.90 2k3x s PHE 78 N 1.03 2.16 0.08 0.36 5.36 -0.55 -1.55 117.98 124.87 2k3x s PHE 78 Ca 0.08 0.43 0.05 0.00 -0.96 0.00 0.00 56.93 56.53 2k3x s PHE 78 Cb -0.21 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.58 2k3x s PHE 78 CO -0.06 -3.23 -0.13 0.96 -1.46 0.00 0.00 175.22 171.29 2k3x s ILE 79 N 4.28 1.09 -0.32 3.12 -4.36 -0.28 -1.15 121.20 123.59 2k3x s ILE 79 Ca 0.70 -1.37 -0.22 0.00 -0.26 0.00 0.00 60.65 59.50 2k3x s ILE 79 Cb -0.29 -1.13 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 2k3x s ILE 79 CO 0.27 -0.28 0.70 -2.28 0.24 0.00 0.00 174.94 173.58 2k3x s HIS 80 N -1.48 3.19 -0.58 1.37 5.65 -0.47 -2.40 115.29 120.56 2k3x s HIS 80 Ca -0.00 0.61 -0.27 0.00 0.25 0.00 0.00 55.06 55.64 2k3x s HIS 80 Cb -0.09 -3.14 -0.00 0.00 -1.18 0.00 0.00 32.58 28.17 2k3x s HIS 80 CO 0.02 -0.56 1.60 0.71 -0.65 0.00 0.00 174.74 175.86 2k3x s TYR 81 N 2.80 2.01 0.59 3.88 2.02 -1.26 -2.22 117.35 125.16 2k3x s TYR 81 Ca 0.28 0.53 -0.17 0.00 -0.37 0.00 0.00 57.07 57.34 2k3x s TYR 81 Cb -0.14 -4.29 -0.04 0.00 -0.40 0.00 0.00 41.96 37.09 2k3x s TYR 81 CO 0.13 -2.21 1.09 -0.65 -1.57 0.00 0.00 175.55 172.35 2k3x s GLN 82 N 6.11 3.21 0.00 -0.62 -0.21 -0.27 -2.67 119.66 125.21 2k3x s GLN 82 Ca 0.58 1.40 0.00 0.00 0.02 0.00 0.00 55.36 57.37 2k3x s GLN 82 Cb -0.12 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.88 2k3x s GLN 82 CO 0.23 -0.93 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 2k3x n GLY 83 N -0.41 0.33 3.22 3.09 0.00 -1.26 -4.44 105.19 105.73 2k3x n GLY 83 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2k3x n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3x s TRP 84 N -1.77 1.22 0.28 1.61 0.52 -1.09 -5.12 118.94 114.59 2k3x s TRP 84 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 56.10 54.49 2k3x s TRP 84 Cb 0.00 -0.63 -0.11 0.00 -1.15 0.00 0.00 33.47 31.58 2k3x s TRP 84 CO 0.00 -0.56 1.59 0.15 0.02 0.00 0.00 176.95 178.15 2k3x s LYS 85 N -4.12 4.14 0.35 4.98 -0.14 -1.26 -4.87 119.74 118.82 2k3x s LYS 85 Ca 0.38 2.55 0.25 0.00 -1.36 0.00 0.00 55.97 57.79 2k3x s LYS 85 Cb 0.07 -3.04 1.26 0.00 -1.68 0.00 0.00 37.83 34.44 2k3x s LYS 85 CO 0.12 -0.63 1.77 0.77 -0.76 0.00 0.00 175.35 176.62 2k3x h SER 86 N 5.13 0.00 -0.08 2.83 0.02 -2.00 -2.92 113.55 116.53 2k3x h SER 86 Ca -0.46 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.51 2k3x h SER 86 Cb 1.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2k3x h SER 86 CO 0.81 0.00 0.31 0.28 -1.14 0.00 0.00 176.83 177.09 2k3x h SER 87 N 0.00 0.00 -1.05 3.07 0.02 -1.98 -2.36 113.55 111.26 2k3x h SER 87 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 2k3x h SER 87 Cb 0.14 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.27 2k3x h SER 87 CO 0.00 0.00 -0.96 -2.67 -1.14 0.00 0.00 176.83 172.06 2k3x n TRP 88 N -3.11 2.22 -1.82 3.45 4.27 -1.10 -5.04 117.44 116.30 2k3x n TRP 88 Ca -0.00 -2.71 -0.42 0.00 -3.89 0.00 0.00 57.50 50.48 2k3x n TRP 88 Cb 0.38 -0.25 -0.03 0.00 -1.36 0.00 0.00 31.31 30.06 2k3x n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2k3x s ASP 89 N -3.45 6.48 0.02 -0.67 1.11 -0.89 -4.76 116.67 114.51 2k3x s ASP 89 Ca 0.38 2.75 -0.18 0.00 0.18 0.00 0.00 52.55 55.68 2k3x s ASP 89 Cb 0.41 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.84 2k3x s ASP 89 CO -0.05 -0.91 0.40 -0.70 1.18 0.00 0.00 175.17 175.09 2k3x s GLU 90 N 1.25 0.87 0.47 8.23 2.56 -1.01 -4.93 118.70 126.14 2k3x s GLU 90 Ca 0.73 -0.28 -0.15 0.00 0.00 0.00 0.00 54.97 55.26 2k3x s GLU 90 Cb -0.47 0.39 -0.08 0.00 2.00 0.00 0.00 34.13 35.97 2k3x s GLU 90 CO 0.32 -0.28 0.92 -1.58 -0.56 0.00 0.00 175.26 174.07 2k3x s TRP 91 N -2.12 3.44 0.09 5.30 0.52 -1.26 -1.12 118.94 123.79 2k3x s TRP 91 Ca -0.08 1.37 0.03 0.00 0.02 0.00 0.00 56.10 57.44 2k3x s TRP 91 Cb -0.02 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 2k3x s TRP 91 CO 0.00 -0.26 -0.09 0.14 0.02 0.00 0.00 176.95 176.76 2k3x s VAL 92 N -2.49 0.84 0.63 4.03 -7.23 -0.59 -4.90 120.40 110.68 2k3x s VAL 92 Ca 0.57 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 2k3x s VAL 92 Cb -0.10 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.61 2k3x s VAL 92 CO 0.29 -0.57 0.91 -0.83 -0.31 0.00 0.00 175.10 174.59 2k3x s GLY 93 N -2.38 1.73 0.59 2.32 0.00 -1.26 -0.76 107.32 107.55 2k3x s GLY 93 Ca 0.04 -1.05 0.34 0.00 0.00 0.00 0.00 44.72 44.04 2k3x s GLY 93 CO -0.01 -0.71 2.21 -1.82 0.00 0.00 0.00 173.10 172.77 2k3x h TYR 94 N -0.29 0.00 -0.10 1.90 5.03 -1.79 -0.62 116.97 121.09 2k3x h TYR 94 Ca -0.44 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.90 2k3x h TYR 94 Cb 1.30 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.58 2k3x h TYR 94 CO 0.36 0.04 0.15 0.22 -1.32 0.00 0.00 178.16 177.62 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.13 116.42 112.82 2k3x h ASP 95 Ca -0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2k3x h ASP 95 Cb 0.16 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 2k3x h ASP 95 CO 0.00 0.00 -1.86 0.54 -2.88 0.00 0.00 179.24 175.04 2k3x n ARG 96 N -3.57 0.36 -4.04 0.28 1.74 -0.34 -4.94 116.66 106.16 2k3x n ARG 96 Ca -0.00 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 2k3x n ARG 96 Cb 0.25 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3x s ILE 97 N -2.30 4.67 0.09 0.55 2.07 -0.58 -1.31 121.20 124.39 2k3x s ILE 97 Ca -0.21 -0.82 -0.14 0.00 -1.41 0.00 0.00 60.65 58.07 2k3x s ILE 97 Cb 0.06 -3.31 0.02 0.00 0.13 0.00 0.00 42.46 39.37 2k3x s ILE 97 CO 0.33 0.04 0.34 -0.13 -1.91 0.00 0.00 174.94 173.60 2k3x s ARG 98 N -2.69 0.94 1.00 3.50 3.00 -0.48 -4.50 118.95 119.73 2k3x s ARG 98 Ca 0.31 -0.66 -0.13 0.00 0.00 0.00 0.00 55.73 55.25 2k3x s ARG 98 Cb -0.12 0.41 0.19 0.00 0.00 0.00 0.00 34.95 35.43 2k3x s ARG 98 CO 0.24 -0.34 1.10 0.00 0.00 0.00 0.00 175.30 176.30 2k3x s ALA 99 N -3.35 1.02 -0.06 2.13 0.00 -1.26 -0.79 121.76 119.45 2k3x s ALA 99 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2k3x s ALA 99 Cb 0.02 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 2k3x s ALA 99 CO -0.09 -2.83 1.61 -0.47 0.00 0.00 0.00 175.76 173.99 2k3x s TYR 100 N -3.02 2.07 0.15 0.00 5.04 0.61 -4.60 117.35 117.58 2k3x s TYR 100 Ca 0.65 0.27 -0.24 0.00 -2.44 0.00 0.00 57.07 55.31 2k3x s TYR 100 Cb -0.18 -3.87 0.06 0.00 0.35 0.00 0.00 41.96 38.32 2k3x s TYR 100 CO 0.57 -3.64 0.80 0.54 -1.34 0.00 0.00 175.55 172.48 2k3x s ASN 101 N 3.20 -0.34 0.39 4.32 2.20 -1.26 -4.52 114.94 118.93 2k3x s ASN 101 Ca 0.71 -0.26 0.07 0.00 -0.94 0.00 0.00 52.86 52.45 2k3x s ASN 101 Cb -0.32 0.55 0.78 0.00 -2.00 0.00 0.00 41.25 40.26 2k3x s ASN 101 CO 0.28 -0.95 1.98 -0.08 -2.94 0.00 0.00 177.10 175.39 2k3x h GLU 102 N 2.00 0.47 -0.26 3.55 4.81 -1.95 -0.99 114.58 122.20 2k3x h GLU 102 Ca -0.25 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2k3x h GLU 102 Cb 1.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2k3x h GLU 102 CO 0.29 0.41 -0.22 1.49 -0.73 0.00 0.00 179.01 180.25 2k3x h GLU 103 N 0.47 0.49 0.00 1.92 4.81 -1.97 0.22 114.58 120.51 2k3x h GLU 103 Ca 0.12 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k3x h GLU 103 Cb 0.13 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2k3x h GLU 103 CO -0.01 0.68 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.72 2k3x h ASN 104 N 0.44 0.00 0.99 1.04 2.35 -1.56 -1.54 115.58 117.29 2k3x h ASN 104 Ca 0.07 -0.04 -0.19 0.00 -0.55 0.00 0.00 56.30 55.59 2k3x h ASN 104 Cb 0.62 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 2k3x h ASN 104 CO 0.04 0.02 -1.07 0.40 -1.65 0.00 0.00 177.43 175.17 2k3x h ILE 105 N 0.00 1.18 -0.38 2.81 5.03 -0.89 0.31 117.51 125.57 2k3x h ILE 105 Ca 0.00 -2.80 -0.06 0.00 -0.12 0.00 0.00 64.86 61.88 2k3x h ILE 105 Cb 0.90 2.55 -0.01 0.00 -3.03 0.00 0.00 36.82 37.23 2k3x h ILE 105 CO 0.00 0.67 -0.00 0.00 -0.68 0.00 0.00 178.15 178.14 2k3x h ALA 106 N 1.18 0.51 -0.50 1.87 0.00 -0.35 0.98 119.26 122.95 2k3x h ALA 106 Ca -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k3x h ALA 106 Cb 1.70 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2k3x h ALA 106 CO 0.09 0.28 0.22 0.00 0.00 0.00 0.00 179.25 179.84 2k3x h MET 107 N 0.48 0.73 0.25 0.00 -0.00 -1.30 -1.46 114.93 113.63 2k3x h MET 107 Ca 0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2k3x h MET 107 Cb 0.47 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.93 2k3x h MET 107 CO 0.02 0.63 -0.23 -0.22 -0.00 0.00 0.00 176.91 177.12 2k3x h LYS 108 N 0.66 -0.48 -0.46 -0.10 1.63 -0.63 -0.35 116.57 116.84 2k3x h LYS 108 Ca 0.17 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.87 2k3x h LYS 108 Cb 0.16 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2k3x h LYS 108 CO -0.02 -0.32 -0.22 1.57 -3.45 0.00 0.00 179.45 177.02 2k3x h LYS 109 N -0.50 0.93 -0.66 1.90 2.10 -0.77 0.15 116.57 119.72 2k3x h LYS 109 Ca -0.01 -0.39 -0.03 0.00 -2.00 0.00 0.00 60.65 58.22 2k3x h LYS 109 Cb 0.46 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 2k3x h LYS 109 CO -0.04 1.05 0.28 -0.09 -2.00 0.00 0.00 179.45 178.64 2k3x h ARG 110 N 0.80 0.95 -0.02 0.07 1.12 -1.14 -2.38 114.38 113.79 2k3x h ARG 110 Ca 0.11 -0.15 -0.01 0.00 -1.11 0.00 0.00 59.98 58.82 2k3x h ARG 110 Cb 0.78 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 30.57 2k3x h ARG 110 CO 0.06 0.77 -0.01 -0.07 -3.11 0.00 0.00 179.97 177.61 2k3x h LEU 111 N 0.94 0.04 -0.42 3.80 3.38 -0.71 -3.21 115.31 119.13 2k3x h LEU 111 Ca 0.22 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2k3x h LEU 111 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k3x h LEU 111 CO -0.02 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.00 2k3x n ALA 112 N -2.34 1.06 0.21 1.53 0.00 0.49 -0.72 120.51 120.74 2k3x n ALA 112 Ca -0.08 0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.46 2k3x n ALA 112 Cb 0.25 -1.11 0.45 0.00 0.00 0.00 0.00 19.45 19.05 2k3x n ALA 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k3x h ASN 113 N 0.00 0.00 0.40 0.00 2.35 -1.43 -3.03 115.58 113.86 2k3x h ASN 113 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2k3x h ASN 113 Cb 0.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.40 2k3x h ASN 113 CO 0.00 0.28 -1.11 -0.07 -1.65 0.00 0.00 177.43 174.88 2k3x h LEU 114 N 0.00 0.56 0.00 1.61 4.07 -1.12 -3.53 115.31 116.91 2k3x h LEU 114 Ca -0.00 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.44 2k3x h LEU 114 Cb 0.52 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2k3x h LEU 114 CO 0.04 1.35 0.00 1.21 -1.08 0.00 0.00 178.44 179.95