#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 0.26 0.33 1.12 1.01 -1.26 -5.03 120.40 116.83 2k3x s VAL 2 Ca 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 61.98 60.37 2k3x s VAL 2 Cb 0.00 -1.33 0.31 0.00 0.00 0.00 0.00 36.38 35.36 2k3x s VAL 2 CO 0.00 -0.90 1.85 -0.78 0.00 0.00 0.00 175.10 175.27 2k3x h ASP 3 N 3.38 0.74 0.34 3.32 3.58 -2.01 -0.42 116.42 125.36 2k3x h ASP 3 Ca -0.34 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 2k3x h ASP 3 Cb 1.15 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2k3x h ASP 3 CO 0.62 0.37 -0.10 0.25 -2.88 0.00 0.00 179.24 177.49 2k3x h LEU 4 N 0.78 0.00 0.00 2.28 5.85 -1.97 0.06 115.31 122.31 2k3x h LEU 4 Ca 0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.20 2k3x h LEU 4 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2k3x h LEU 4 CO -0.24 0.10 -0.26 -0.62 -0.34 0.00 0.00 178.44 177.07 2k3x n GLU 5 N -3.61 0.18 -0.09 1.25 1.02 -0.18 -3.88 120.64 115.32 2k3x n GLU 5 Ca -0.02 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 2k3x n GLU 5 Cb 0.22 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 2k3x n GLU 5 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2k3x n GLN 6 N -1.95 0.68 -1.73 3.49 7.27 -0.43 -3.78 117.38 120.92 2k3x n GLN 6 Ca 0.05 0.13 -0.42 0.00 0.07 0.00 0.00 57.00 56.82 2k3x n GLN 6 Cb 0.40 -1.57 -0.01 0.00 2.41 0.00 0.00 30.24 31.47 2k3x n GLN 6 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2k3x n GLU 7 N -3.11 2.47 -1.26 3.69 4.07 -0.12 -3.77 120.64 122.60 2k3x n GLU 7 Ca -0.38 0.87 -0.35 0.00 -0.06 0.00 0.00 57.16 57.25 2k3x n GLU 7 Cb 1.06 -2.59 0.10 0.00 -0.06 0.00 0.00 31.44 29.95 2k3x n GLU 7 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2k3x n PHE 8 N 1.46 0.81 -3.76 4.31 -1.74 -1.26 -4.61 117.46 112.67 2k3x n PHE 8 Ca 0.07 0.39 -0.12 0.00 -0.56 0.00 0.00 57.45 57.23 2k3x n PHE 8 Cb 0.36 -2.08 -0.12 0.00 1.52 0.00 0.00 39.48 39.15 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 -1.93 -0.59 -0.61 1.98 0.00 -1.26 -4.95 121.76 114.40 2k3x s ALA 9 Ca 0.73 0.86 0.12 0.00 0.00 0.00 0.00 51.96 53.66 2k3x s ALA 9 Cb -0.32 -0.52 0.61 0.00 0.00 0.00 0.00 23.12 22.88 2k3x s ALA 9 CO 0.51 -0.16 1.35 1.47 0.00 0.00 0.00 175.76 178.94 2k3x n LEU 10 N 3.60 0.29 -0.05 0.00 -0.00 -1.26 -0.76 117.00 118.82 2k3x n LEU 10 Ca -0.19 0.63 0.06 0.00 -0.00 0.00 0.00 56.01 56.51 2k3x n LEU 10 Cb 0.56 -0.66 0.08 0.00 -0.00 0.00 0.00 43.42 43.40 2k3x n LEU 10 CO 0.16 -0.70 0.53 0.61 -0.00 0.00 0.00 177.39 177.99 2k3x n GLY 11 N -1.29 3.95 0.00 1.47 0.00 -1.26 -4.60 105.19 103.46 2k3x n GLY 11 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.02 -1.04 2.68 -0.02 0.00 0.06 -5.07 105.19 100.78 2k3x n GLY 12 Ca 0.09 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 2k3x n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k3x s ARG 13 N -0.74 0.82 1.29 1.61 3.00 -1.26 -4.56 118.95 119.12 2k3x s ARG 13 Ca 0.00 -1.24 -0.20 0.00 -1.00 0.00 0.00 55.73 53.29 2k3x s ARG 13 Cb 0.00 -0.73 0.32 0.00 0.00 0.00 0.00 34.95 34.54 2k3x s ARG 13 CO 0.00 -1.28 1.02 0.00 0.00 0.00 0.00 175.30 175.04 2k3x s LEU 15 N -7.37 2.06 -0.02 0.00 2.01 0.32 -0.28 118.68 115.40 2k3x s LEU 15 Ca 0.69 -0.25 0.01 0.00 0.01 0.00 0.00 54.13 54.60 2k3x s LEU 15 Cb -0.13 -0.47 0.02 0.00 0.01 0.00 0.00 46.19 45.62 2k3x s LEU 15 CO 0.58 0.07 -0.02 0.00 1.01 0.00 0.00 176.35 177.98 2k3x s ALA 16 N -0.42 0.41 0.32 4.21 0.00 0.08 -0.98 121.76 125.38 2k3x s ALA 16 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 2k3x s ALA 16 Cb -0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 2k3x s ALA 16 CO -0.00 -0.00 0.69 -0.06 0.00 0.00 0.00 175.76 176.39 2k3x s PHE 17 N 0.62 3.41 0.05 0.00 0.08 -0.35 -1.14 117.98 120.66 2k3x s PHE 17 Ca -0.07 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.05 2k3x s PHE 17 Cb -0.10 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 2k3x s PHE 17 CO -0.01 0.08 0.00 0.72 -0.10 0.00 0.00 175.22 175.92 2k3x n HIS 18 N -0.59 -0.05 0.00 0.36 8.25 -0.70 -4.83 115.22 117.66 2k3x n HIS 18 Ca 0.02 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2k3x n HIS 18 Cb 0.53 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 3.19 -0.94 0.28 -1.41 0.00 -1.26 -4.96 105.19 100.09 2k3x n GLY 19 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 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 0.80 0.00 1.61 0.11 -2.03 -3.46 132.00 129.04 2k3x h PRO 20 Ca 0.00 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 2k3x h PRO 20 Cb 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 2k3x h PRO 20 CO 0.00 0.53 -0.09 -0.11 -0.21 0.00 0.00 178.00 178.11 2k3x n LEU 21 N -4.70 0.00 -4.31 2.35 7.94 -1.26 -4.90 117.00 112.12 2k3x n LEU 21 Ca 0.09 -1.40 -0.19 0.00 -1.11 0.00 0.00 56.01 53.40 2k3x n LEU 21 Cb 0.14 1.16 -0.11 0.00 0.53 0.00 0.00 43.42 45.14 2k3x n LEU 21 CO 0.31 -0.31 -0.45 0.00 -1.11 0.00 0.00 177.39 175.83 2k3x s MET 22 N -2.42 1.21 0.17 1.96 0.23 -1.26 -1.72 119.30 117.46 2k3x s MET 22 Ca 0.15 -1.42 0.05 0.00 -1.03 0.00 0.00 55.69 53.43 2k3x s MET 22 Cb -0.00 -1.10 -0.05 0.00 -1.53 0.00 0.00 34.83 32.15 2k3x s MET 22 CO 0.11 0.20 -0.09 0.71 -2.03 0.00 0.00 175.02 173.92 2k3x s TYR 23 N -2.46 1.36 0.31 3.16 2.02 -0.29 -4.91 117.35 116.54 2k3x s TYR 23 Ca 0.16 -0.77 -0.29 0.00 -0.37 0.00 0.00 57.07 55.80 2k3x s TYR 23 Cb -0.03 -0.70 -0.10 0.00 -0.40 0.00 0.00 41.96 40.72 2k3x s TYR 23 CO 0.05 0.08 1.34 -1.21 -1.57 0.00 0.00 175.55 174.24 2k3x s GLU 24 N -3.76 4.33 -0.37 -0.62 2.02 -1.26 -0.74 118.70 118.30 2k3x s GLU 24 Ca 0.19 2.24 0.01 0.00 0.02 0.00 0.00 54.97 57.43 2k3x s GLU 24 Cb 0.03 -3.08 0.12 0.00 0.10 0.00 0.00 34.13 31.30 2k3x s GLU 24 CO 0.03 -0.25 0.17 0.00 0.02 0.00 0.00 175.26 175.23 2k3x s ALA 25 N -0.89 1.75 -0.65 5.21 0.00 0.61 -0.99 121.76 126.80 2k3x s ALA 25 Ca 0.51 -2.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.12 2k3x s ALA 25 Cb -0.40 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.04 2k3x s ALA 25 CO 0.51 -1.90 0.99 0.21 0.00 0.00 0.00 175.76 175.58 2k3x s LYS 26 N 0.98 3.15 0.41 0.00 2.20 -0.25 -0.55 119.74 125.68 2k3x s LYS 26 Ca 0.14 -0.67 -0.27 0.00 -0.36 0.00 0.00 55.97 54.81 2k3x s LYS 26 Cb -0.21 -4.19 -0.10 0.00 -1.51 0.00 0.00 37.83 31.82 2k3x s LYS 26 CO -0.10 -1.80 1.44 0.42 -0.36 0.00 0.00 175.35 174.95 2k3x s ILE 27 N 4.23 2.14 0.02 5.43 1.01 -1.26 -1.33 121.20 131.43 2k3x s ILE 27 Ca 0.25 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2k3x s ILE 27 Cb -0.15 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2k3x s ILE 27 CO 0.12 0.03 0.00 -0.11 0.00 0.00 0.00 174.94 174.98 2k3x n LEU 28 N 0.18 0.05 -4.78 2.97 0.00 -0.20 -4.68 117.00 110.53 2k3x n LEU 28 Ca 0.03 0.04 -0.37 0.00 0.00 0.00 0.00 56.01 55.70 2k3x n LEU 28 Cb 0.41 0.01 -0.06 0.00 0.00 0.00 0.00 43.42 43.77 2k3x n LEU 28 CO 0.61 -0.53 0.05 -0.54 0.00 0.00 0.00 177.39 176.98 2k3x s LYS 29 N -1.12 4.06 0.33 1.96 1.02 -1.17 -4.29 119.74 120.53 2k3x s LYS 29 Ca 0.00 0.27 0.09 0.00 0.02 0.00 0.00 55.97 56.35 2k3x s LYS 29 Cb 0.00 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.92 2k3x s LYS 29 CO 0.00 0.46 -0.08 0.96 -0.92 0.00 0.00 175.35 175.76 2k3x s ILE 30 N -0.26 2.07 0.02 2.17 -0.00 -0.39 -0.43 121.20 124.38 2k3x s ILE 30 Ca 0.21 -2.18 -0.06 0.00 -0.00 0.00 0.00 60.65 58.62 2k3x s ILE 30 Cb -0.15 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.46 39.70 2k3x s ILE 30 CO 0.09 -0.22 0.11 0.86 -0.00 0.00 0.00 174.94 175.78 2k3x s TRP 31 N -2.72 0.10 -0.17 1.37 -0.11 0.21 -0.69 118.94 116.93 2k3x s TRP 31 Ca 0.32 -0.28 -0.04 0.00 1.22 0.00 0.00 56.10 57.32 2k3x s TRP 31 Cb 0.03 -0.09 0.07 0.00 -1.50 0.00 0.00 33.47 31.99 2k3x s TRP 31 CO 0.15 -0.31 0.17 0.34 -4.62 0.00 0.00 176.95 172.68 2k3x s ASP 32 N -1.63 1.59 0.00 5.86 2.15 -1.15 -1.57 116.67 121.92 2k3x s ASP 32 Ca -0.12 -0.26 0.07 0.00 0.43 0.00 0.00 52.55 52.67 2k3x s ASP 32 Cb -0.06 0.15 0.29 0.00 -0.30 0.00 0.00 42.92 43.00 2k3x s ASP 32 CO -0.01 -0.32 1.20 -0.81 -0.17 0.00 0.00 175.17 175.06 2k3x n PRO 33 N 5.31 0.01 0.29 4.34 -0.04 -1.26 -1.38 135.00 142.27 2k3x n PRO 33 Ca -0.06 0.37 0.17 0.00 -0.04 0.00 0.00 63.50 63.94 2k3x n PRO 33 Cb 0.49 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.32 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 -1.94 -3.11 113.55 112.06 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 0.06 -0.19 -1.20 -1.14 0.00 0.00 176.83 174.36 2k3x n SER 35 N -3.38 0.95 -4.08 3.07 7.64 -0.87 -5.03 113.62 111.93 2k3x n SER 35 Ca -0.02 -0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.29 2k3x n SER 35 Cb 0.20 0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 64.11 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 -0.84 -3.07 -4.18 1.43 5.02 -0.48 -4.99 118.16 111.06 2k3x n LYS 36 Ca 0.00 0.37 -0.17 0.00 -2.02 0.00 0.00 58.31 56.49 2k3x n LYS 36 Cb 0.00 -4.65 -0.06 0.00 -0.02 0.00 0.00 35.03 30.30 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 -6.76 1.80 0.26 1.97 -1.94 -1.24 -4.79 119.30 108.60 2k3x s MET 37 Ca 0.26 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 2k3x s MET 37 Cb -0.14 0.38 0.00 0.00 2.01 0.00 0.00 34.83 37.09 2k3x s MET 37 CO 0.91 -0.71 0.03 2.48 -0.01 0.00 0.00 175.02 177.73 2k3x n TYR 38 N -0.57 0.33 -3.76 -0.03 4.11 -1.26 -2.92 117.16 113.06 2k3x n TYR 38 Ca 0.04 -1.26 -0.10 0.00 -0.00 0.00 0.00 57.90 56.58 2k3x n TYR 38 Cb 0.62 -0.18 -0.05 0.00 -0.00 0.00 0.00 39.34 39.73 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2k3x s THR 39 N -1.84 0.05 0.32 -3.48 -4.23 0.13 -3.66 115.64 102.93 2k3x s THR 39 Ca 0.03 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.53 2k3x s THR 39 Cb -0.00 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.37 2k3x s THR 39 CO 0.02 -0.24 0.64 -0.55 -0.54 0.00 0.00 174.62 173.94 2k3x s SER 40 N -2.87 0.11 0.01 3.99 0.15 -1.26 -1.26 113.70 112.57 2k3x s SER 40 Ca 0.09 -1.04 0.01 0.00 0.70 0.00 0.00 55.95 55.70 2k3x s SER 40 Cb 0.01 0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2k3x s SER 40 CO -0.05 -1.41 -0.03 0.27 1.20 0.00 0.00 173.24 173.22 2k3x s ILE 41 N -3.22 0.18 -1.97 6.45 -5.25 -1.25 -1.51 121.20 114.63 2k3x s ILE 41 Ca 0.19 -0.57 0.31 0.00 -0.99 0.00 0.00 60.65 59.59 2k3x s ILE 41 Cb -0.03 -0.25 0.82 0.00 2.95 0.00 0.00 42.46 45.95 2k3x s ILE 41 CO 0.12 -0.25 2.16 -0.81 -1.79 0.00 0.00 174.94 174.36 2k3x n PRO 42 N 2.19 0.98 0.15 0.37 -0.04 -1.23 -3.45 135.00 133.97 2k3x n PRO 42 Ca -0.19 -0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.29 2k3x n PRO 42 Cb 0.57 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 33.08 2k3x n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3x n ASN 43 N -0.93 0.53 -4.41 3.54 2.85 -1.26 -4.64 115.26 110.94 2k3x n ASN 43 Ca 0.22 0.74 -0.20 0.00 -0.11 0.00 0.00 54.58 55.23 2k3x n ASN 43 Cb 0.15 -0.81 -0.10 0.00 1.24 0.00 0.00 39.78 40.25 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3x s ASP 44 N -3.98 2.52 -0.01 1.20 2.15 -1.22 -5.10 116.67 112.22 2k3x s ASP 44 Ca -0.02 -1.23 0.03 0.00 0.43 0.00 0.00 52.55 51.77 2k3x s ASP 44 Cb 0.06 -0.12 -0.01 0.00 -0.30 0.00 0.00 42.92 42.55 2k3x s ASP 44 CO 0.20 -0.42 -0.11 -0.75 -0.17 0.00 0.00 175.17 173.91 2k3x s LYS 45 N -3.78 0.96 0.89 4.34 2.20 -1.26 -4.01 119.74 119.08 2k3x s LYS 45 Ca 0.30 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 2k3x s LYS 45 Cb 0.05 -0.92 0.22 0.00 -1.51 0.00 0.00 37.83 35.67 2k3x s LYS 45 CO 0.12 0.23 0.81 -0.35 -0.36 0.00 0.00 175.35 175.80 2k3x n PRO 46 N 2.87 -2.49 -0.04 4.03 -0.04 -1.26 -4.89 135.00 133.17 2k3x n PRO 46 Ca -0.14 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 2k3x n PRO 46 Cb 0.56 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2k3x n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k3x n GLY 47 N -2.75 1.64 3.60 0.55 0.00 -1.26 -4.75 105.19 102.22 2k3x n GLY 47 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2k3x n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3x s GLY 48 N 1.09 0.24 0.00 -0.02 0.00 -1.26 -4.73 107.32 102.64 2k3x s GLY 48 Ca 0.00 -0.59 0.20 0.00 0.00 0.00 0.00 44.72 44.34 2k3x s GLY 48 CO 0.00 -0.44 1.62 1.44 0.00 0.00 0.00 173.10 175.72 2k3x n SER 49 N -0.37 0.00 -2.86 1.64 7.64 -1.26 -4.70 113.62 113.70 2k3x n SER 49 Ca -0.05 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2k3x n SER 49 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2k3x n SER 49 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k3x n SER 50 N -0.96 -0.03 -3.53 6.43 3.41 -1.26 -5.09 113.62 112.60 2k3x n SER 50 Ca 0.15 -0.19 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 2k3x n SER 50 Cb 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 2k3x n SER 50 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2k3x s GLN 51 N -0.62 1.12 0.00 4.33 0.74 -1.26 -4.53 119.66 119.44 2k3x s GLN 51 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.11 2k3x s GLN 51 Cb 0.00 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.62 2k3x s GLN 51 CO 0.00 -0.43 0.59 0.00 -0.55 0.00 0.00 175.29 174.90 2k3x n ALA 52 N 0.14 2.25 -0.62 1.58 0.00 -1.26 -4.93 120.51 117.67 2k3x n ALA 52 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k3x n ALA 52 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 0.34 0.00 -3.34 0.00 -1.04 -1.26 -3.58 114.28 105.41 2k3x n THR 53 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2k3x n THR 53 Cb 0.30 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.82 2k3x n THR 53 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2k3x n LYS 54 N 0.00 0.47 -1.87 -2.82 4.81 -1.26 -4.64 118.16 112.84 2k3x n LYS 54 Ca 0.00 -0.93 -0.31 0.00 -0.87 0.00 0.00 58.31 56.20 2k3x n LYS 54 Cb 0.00 1.15 -0.04 0.00 0.02 0.00 0.00 35.03 36.16 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k3x s GLU 55 N -2.04 2.35 0.07 1.64 2.02 -1.26 -3.90 118.70 117.57 2k3x s GLU 55 Ca 0.07 0.53 -0.31 0.00 0.02 0.00 0.00 54.97 55.28 2k3x s GLU 55 Cb -0.02 -4.66 -0.07 0.00 0.10 0.00 0.00 34.13 29.48 2k3x s GLU 55 CO 0.05 -3.26 1.41 0.42 0.02 0.00 0.00 175.26 173.89 2k3x s ILE 56 N 10.81 3.47 0.24 -1.63 1.01 -0.57 -4.94 121.20 129.59 2k3x s ILE 56 Ca 0.78 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 2k3x s ILE 56 Cb -0.12 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 2k3x s ILE 56 CO 0.14 0.04 1.25 -0.54 0.00 0.00 0.00 174.94 175.84 2k3x s LYS 57 N 1.71 4.45 0.15 2.79 -0.14 -1.26 -4.21 119.74 123.23 2k3x s LYS 57 Ca 0.65 2.01 -0.34 0.00 -1.36 0.00 0.00 55.97 56.92 2k3x s LYS 57 Cb -0.35 -3.18 -0.15 0.00 -1.68 0.00 0.00 37.83 32.48 2k3x s LYS 57 CO 0.29 -0.13 1.47 -2.30 -0.76 0.00 0.00 175.35 173.92 2k3x n PRO 58 N 1.99 1.81 -3.90 -1.68 -0.02 -1.24 -4.89 135.00 127.07 2k3x n PRO 58 Ca 0.03 0.65 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 2k3x n PRO 58 Cb 0.43 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.55 0.28 -0.15 -0.52 2.00 -1.26 -4.96 119.66 115.59 2k3x s GLN 59 Ca 0.78 -0.29 -0.33 0.00 -2.00 0.00 0.00 55.36 53.52 2k3x s GLN 59 Cb -0.76 0.11 -0.11 0.00 0.80 0.00 0.00 33.01 33.06 2k3x s GLN 59 CO 0.43 -0.05 1.99 1.63 -0.50 0.00 0.00 175.29 178.78 2k3x n LYS 60 N 2.08 1.98 -0.96 1.67 4.76 -1.26 -4.31 118.16 122.12 2k3x n LYS 60 Ca -0.19 0.68 -0.02 0.00 -2.87 0.00 0.00 58.31 55.91 2k3x n LYS 60 Cb 0.57 -2.71 0.01 0.00 -1.84 0.00 0.00 35.03 31.05 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 7.97 0.00 0.00 -0.35 -0.00 -1.26 -4.97 117.00 118.39 2k3x n LEU 61 Ca 0.27 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2k3x n LEU 61 Cb 0.31 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2k3x n LEU 61 CO 0.73 -0.53 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 2k3x n GLY 62 N 4.32 1.87 0.24 1.47 0.00 -1.26 -5.03 105.19 106.80 2k3x n GLY 62 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.79 0.00 1.61 5.08 -2.03 -3.45 114.58 116.58 2k3x h GLU 63 Ca 0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2k3x h GLU 63 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k3x h GLU 63 CO 0.00 1.13 0.00 -3.47 -1.00 0.00 0.00 179.01 175.67 2k3x n ASP 64 N -3.99 0.00 -2.99 1.42 2.03 -1.26 -5.03 116.55 106.73 2k3x n ASP 64 Ca -0.04 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.90 2k3x n ASP 64 Cb 0.63 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.04 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3x n GLU 65 N 0.00 3.30 -1.68 -0.67 0.00 -1.26 -4.99 120.64 115.34 2k3x n GLU 65 Ca 0.00 -3.44 -0.47 0.00 0.00 0.00 0.00 57.16 53.26 2k3x n GLU 65 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 31.44 29.09 2k3x n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k3x n SER 66 N 0.07 3.37 -4.66 -1.84 7.64 -1.26 -4.82 113.62 112.12 2k3x n SER 66 Ca 0.52 1.01 -0.40 0.00 1.01 0.00 0.00 58.87 61.01 2k3x n SER 66 Cb 0.31 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.05 2k3x n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k3x s ILE 67 N 2.80 5.02 0.52 0.44 -0.00 -1.26 -4.96 121.20 123.75 2k3x s ILE 67 Ca 0.87 1.18 -0.22 0.00 -0.00 0.00 0.00 60.65 62.47 2k3x s ILE 67 Cb -0.67 -3.94 -0.06 0.00 -0.00 0.00 0.00 42.46 37.79 2k3x s ILE 67 CO 0.45 0.10 1.32 -2.84 -0.00 0.00 0.00 174.94 173.98 2k3x s PRO 68 N 1.98 3.33 0.60 0.37 0.02 -1.26 -4.87 135.00 135.16 2k3x s PRO 68 Ca 0.28 2.15 0.29 0.00 0.02 0.00 0.00 61.00 63.75 2k3x s PRO 68 Cb -0.16 -2.33 1.62 0.00 0.02 0.00 0.00 34.50 33.65 2k3x s PRO 68 CO 0.10 -1.01 2.03 0.93 -0.33 0.00 0.00 177.00 178.71 2k3x h GLU 69 N 1.68 0.00 -0.96 5.54 5.08 -1.99 -1.67 114.58 122.25 2k3x h GLU 69 Ca -0.51 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.94 2k3x h GLU 69 Cb 1.29 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 2k3x h GLU 69 CO 0.58 0.00 0.62 0.93 -1.00 0.00 0.00 179.01 180.14 2k3x h GLU 70 N 0.00 1.01 0.00 2.33 5.08 -2.04 -3.08 114.58 117.88 2k3x h GLU 70 Ca 0.11 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 2k3x h GLU 70 Cb 0.71 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2k3x h GLU 70 CO -0.00 0.67 -2.20 0.44 -1.00 0.00 0.00 179.01 176.91 2k3x n ILE 71 N -4.53 0.96 -0.19 3.13 -5.35 -0.66 -4.65 119.36 108.08 2k3x n ILE 71 Ca 0.16 -0.74 -0.00 0.00 -0.27 0.00 0.00 62.75 61.89 2k3x n ILE 71 Cb 0.25 -0.35 0.08 0.00 -1.74 0.00 0.00 39.64 37.88 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 0.49 0.00 7.28 2.04 -1.39 -0.87 117.51 125.05 2k3x h ILE 72 Ca -0.36 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2k3x h ILE 72 Cb 1.83 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2k3x h ILE 72 CO 0.02 0.01 0.00 -0.46 0.00 0.00 0.00 178.15 177.73 2k3x n ASN 73 N -5.31 0.00 -2.48 1.72 0.23 -1.25 -3.72 115.26 104.45 2k3x n ASN 73 Ca 0.08 -0.23 -0.04 0.00 -0.53 0.00 0.00 54.58 53.85 2k3x n ASN 73 Cb 0.33 -0.13 0.05 0.00 -2.08 0.00 0.00 39.78 37.95 2k3x n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3x n GLY 74 N -0.03 2.68 1.49 4.83 0.00 -0.33 -4.96 105.19 108.88 2k3x n GLY 74 Ca 0.10 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2k3x n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3x n LYS 75 N -0.52 -3.65 -4.14 1.61 4.76 -1.24 -2.91 118.16 112.07 2k3x n LYS 75 Ca 0.14 2.92 -0.15 0.00 -2.87 0.00 0.00 58.31 58.36 2k3x n LYS 75 Cb 0.87 -3.95 -0.11 0.00 -1.84 0.00 0.00 35.03 29.99 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 -1.91 0.86 -0.22 0.00 0.08 0.02 -0.62 117.98 116.19 2k3x s PHE 77 Ca -0.01 -1.33 -0.29 0.00 0.12 0.00 0.00 56.93 55.43 2k3x s PHE 77 Cb -0.06 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2k3x s PHE 77 CO 0.00 -0.84 1.74 0.12 -0.10 0.00 0.00 175.22 176.15 2k3x s PHE 78 N 1.69 1.88 0.08 0.36 5.36 0.43 -1.56 117.98 126.22 2k3x s PHE 78 Ca 0.11 0.47 0.07 0.00 -0.96 0.00 0.00 56.93 56.62 2k3x s PHE 78 Cb -0.18 -4.03 -0.03 0.00 -0.34 0.00 0.00 43.02 38.44 2k3x s PHE 78 CO -0.25 -3.28 -0.18 0.96 -1.46 0.00 0.00 175.22 171.02 2k3x s ILE 79 N 5.78 1.41 -0.30 3.12 -4.36 -0.36 -1.04 121.20 125.45 2k3x s ILE 79 Ca 0.77 -1.39 -0.20 0.00 -0.26 0.00 0.00 60.65 59.57 2k3x s ILE 79 Cb -0.27 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 2k3x s ILE 79 CO 0.32 -0.12 0.63 -2.28 0.24 0.00 0.00 174.94 173.73 2k3x s HIS 80 N -1.18 3.22 -0.73 1.37 5.65 -0.44 -1.93 115.29 121.24 2k3x s HIS 80 Ca 0.02 0.61 -0.26 0.00 0.25 0.00 0.00 55.06 55.68 2k3x s HIS 80 Cb -0.10 -2.99 0.01 0.00 -1.18 0.00 0.00 32.58 28.32 2k3x s HIS 80 CO 0.03 -0.47 1.56 0.71 -0.65 0.00 0.00 174.74 175.92 2k3x s TYR 81 N 2.61 2.04 0.59 3.88 2.02 -0.96 -1.08 117.35 126.45 2k3x s TYR 81 Ca 0.25 0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 57.04 2k3x s TYR 81 Cb -0.15 -4.39 -0.04 0.00 -0.40 0.00 0.00 41.96 36.98 2k3x s TYR 81 CO 0.12 -2.13 1.04 -0.65 -1.57 0.00 0.00 175.55 172.35 2k3x s GLN 82 N 6.24 3.46 0.00 -0.62 -0.21 -0.16 -3.00 119.66 125.37 2k3x s GLN 82 Ca 0.50 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.94 2k3x s GLN 82 Cb -0.09 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.86 2k3x s GLN 82 CO 0.13 -0.69 0.00 0.41 -2.12 0.00 0.00 175.29 173.03 2k3x n GLY 83 N -1.47 0.85 3.34 3.09 0.00 -1.26 -4.12 105.19 105.61 2k3x n GLY 83 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.54 1.59 0.34 1.61 0.52 -1.16 -5.13 118.94 113.18 2k3x s TRP 84 Ca 0.00 -1.32 -0.29 0.00 0.02 0.00 0.00 56.10 54.51 2k3x s TRP 84 Cb 0.00 -0.88 -0.11 0.00 -1.15 0.00 0.00 33.47 31.33 2k3x s TRP 84 CO 0.00 -0.47 1.53 1.63 0.02 0.00 0.00 176.95 179.67 2k3x n LYS 85 N -0.57 2.68 0.02 4.98 4.76 -1.26 -4.88 118.16 123.89 2k3x n LYS 85 Ca 0.00 0.95 0.03 0.00 -2.87 0.00 0.00 58.31 56.42 2k3x n LYS 85 Cb 0.65 -2.70 0.15 0.00 -1.84 0.00 0.00 35.03 31.30 2k3x n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k3x n SER 86 N 1.23 0.09 0.30 4.39 7.64 -1.26 -1.00 113.62 125.01 2k3x n SER 86 Ca 0.05 0.54 0.16 0.00 1.01 0.00 0.00 58.87 60.63 2k3x n SER 86 Cb 0.38 -0.55 0.96 0.00 -1.01 0.00 0.00 64.21 63.98 2k3x n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3x h SER 87 N 0.00 0.00 -0.02 6.43 0.02 -1.90 -3.05 113.55 115.04 2k3x h SER 87 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2k3x h SER 87 Cb 0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2k3x h SER 87 CO 0.00 0.01 -0.15 0.79 -1.14 0.00 0.00 176.83 176.34 2k3x n TRP 88 N -3.67 0.04 -2.92 3.45 7.02 -0.17 -4.73 117.44 116.46 2k3x n TRP 88 Ca -0.03 -1.23 -0.44 0.00 -1.02 0.00 0.00 57.50 54.78 2k3x n TRP 88 Cb 0.10 -0.98 -0.03 0.00 -2.42 0.00 0.00 31.31 27.98 2k3x n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3x s ASP 89 N 1.96 6.35 -0.01 -0.99 1.11 -1.15 -2.26 116.67 121.67 2k3x s ASP 89 Ca 0.29 -1.46 -0.05 0.00 0.18 0.00 0.00 52.55 51.50 2k3x s ASP 89 Cb 0.14 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.74 2k3x s ASP 89 CO -0.00 -1.25 0.11 -0.70 1.18 0.00 0.00 175.17 174.51 2k3x s GLU 90 N 3.35 0.35 0.58 8.23 2.12 -0.81 -4.91 118.70 127.60 2k3x s GLU 90 Ca 0.25 -0.24 -0.14 0.00 0.36 0.00 0.00 54.97 55.20 2k3x s GLU 90 Cb -0.13 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 2k3x s GLU 90 CO 0.02 -0.08 1.01 -1.58 -0.54 0.00 0.00 175.26 174.10 2k3x s TRP 91 N -0.92 3.48 0.25 5.30 0.52 -1.26 -1.22 118.94 125.08 2k3x s TRP 91 Ca -0.10 1.39 0.01 0.00 0.02 0.00 0.00 56.10 57.42 2k3x s TRP 91 Cb -0.06 -2.78 -0.05 0.00 -1.15 0.00 0.00 33.47 29.43 2k3x s TRP 91 CO 0.01 -0.61 0.11 0.14 0.02 0.00 0.00 176.95 176.62 2k3x s VAL 92 N -2.88 0.44 0.47 4.03 -7.23 -0.60 -4.92 120.40 109.70 2k3x s VAL 92 Ca 0.57 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2k3x s VAL 92 Cb -0.11 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 2k3x s VAL 92 CO 0.43 0.00 0.21 -0.83 -0.31 0.00 0.00 175.10 174.60 2k3x s GLY 93 N -3.28 2.50 0.49 2.32 0.00 -1.26 -0.80 107.32 107.28 2k3x s GLY 93 Ca 0.38 -1.48 0.33 0.00 0.00 0.00 0.00 44.72 43.95 2k3x s GLY 93 CO 0.13 -1.98 2.01 -0.97 0.00 0.00 0.00 173.10 172.29 2k3x h TYR 94 N 1.20 0.00 -0.57 1.90 0.05 -1.69 -0.41 116.97 117.44 2k3x h TYR 94 Ca -0.41 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.53 2k3x h TYR 94 Cb 1.28 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.00 2k3x h TYR 94 CO 0.93 0.00 0.43 0.22 -1.05 0.00 0.00 178.16 178.69 2k3x h ASP 95 N 0.00 0.00 0.00 3.88 3.58 -1.94 -3.27 116.42 118.67 2k3x h ASP 95 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2k3x h ASP 95 Cb 0.12 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 2k3x h ASP 95 CO 0.00 0.00 -1.05 0.54 -2.88 0.00 0.00 179.24 175.85 2k3x n ARG 96 N -4.26 2.75 -3.96 0.28 5.12 -0.27 -4.96 116.66 111.36 2k3x n ARG 96 Ca 0.11 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.74 2k3x n ARG 96 Cb 0.67 -1.02 -0.04 0.00 -1.16 0.00 0.00 32.46 30.91 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2k3x s ILE 97 N -2.02 5.17 0.02 0.55 2.07 -0.59 -1.21 121.20 125.19 2k3x s ILE 97 Ca -0.01 -0.61 -0.11 0.00 -1.41 0.00 0.00 60.65 58.52 2k3x s ILE 97 Cb 0.00 -3.58 0.01 0.00 0.13 0.00 0.00 42.46 39.02 2k3x s ILE 97 CO 0.03 0.03 0.22 -0.13 -1.91 0.00 0.00 174.94 173.18 2k3x s ARG 98 N -2.80 0.65 1.21 3.50 0.52 -0.16 -4.56 118.95 117.31 2k3x s ARG 98 Ca 0.34 -0.47 -0.17 0.00 -0.52 0.00 0.00 55.73 54.91 2k3x s ARG 98 Cb -0.12 0.27 0.29 0.00 0.52 0.00 0.00 34.95 35.91 2k3x s ARG 98 CO 0.27 -0.18 1.03 0.00 0.02 0.00 0.00 175.30 176.44 2k3x s ALA 99 N -2.01 -0.04 0.00 2.13 0.00 -1.25 -0.52 121.76 120.07 2k3x s ALA 99 Ca -0.09 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2k3x s ALA 99 Cb -0.04 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2k3x s ALA 99 CO -0.01 -3.79 1.55 -0.47 0.00 0.00 0.00 175.76 173.04 2k3x s TYR 100 N -2.65 2.48 -0.02 0.00 5.04 -1.03 -4.53 117.35 116.64 2k3x s TYR 100 Ca 0.68 0.49 -0.20 0.00 -2.44 0.00 0.00 57.07 55.61 2k3x s TYR 100 Cb -0.17 -3.82 0.04 0.00 0.35 0.00 0.00 41.96 38.35 2k3x s TYR 100 CO 0.60 -3.27 0.43 1.21 -1.34 0.00 0.00 175.55 173.18 2k3x s ASN 101 N 2.44 -0.34 0.30 4.32 3.84 -1.26 -4.62 114.94 119.62 2k3x s ASN 101 Ca 0.69 0.28 0.01 0.00 0.21 0.00 0.00 52.86 54.06 2k3x s ASN 101 Cb -0.34 0.39 0.56 0.00 -0.55 0.00 0.00 41.25 41.30 2k3x s ASN 101 CO 0.29 -0.51 1.89 -0.33 -2.79 0.00 0.00 177.10 175.64 2k3x h GLU 102 N 3.54 0.97 0.00 0.43 5.08 -1.93 0.64 114.58 123.30 2k3x h GLU 102 Ca -0.29 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2k3x h GLU 102 Cb 1.17 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2k3x h GLU 102 CO 0.40 0.64 -0.10 0.93 -1.00 0.00 0.00 179.01 179.88 2k3x h GLU 103 N 1.00 0.00 0.00 2.33 5.08 -1.96 0.30 114.58 121.32 2k3x h GLU 103 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2k3x h GLU 103 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k3x h GLU 103 CO -0.18 0.10 -1.25 0.09 -1.00 0.00 0.00 179.01 176.77 2k3x n ASN 104 N -4.03 0.75 -0.01 1.42 3.02 0.06 -1.47 115.26 115.00 2k3x n ASN 104 Ca -0.02 -0.74 -0.06 0.00 -0.03 0.00 0.00 54.58 53.73 2k3x n ASN 104 Cb 0.19 1.26 -0.12 0.00 -0.61 0.00 0.00 39.78 40.49 2k3x n ASN 104 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2k3x n ILE 105 N -1.69 1.45 -0.07 2.41 -0.00 -0.29 -1.08 119.36 120.08 2k3x n ILE 105 Ca 0.02 -0.76 -0.12 0.00 -0.00 0.00 0.00 62.75 61.88 2k3x n ILE 105 Cb 0.39 -0.90 -0.06 0.00 -0.00 0.00 0.00 39.64 39.07 2k3x n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k3x h ALA 106 N 1.15 0.27 -0.59 -1.39 0.00 -0.42 0.32 119.26 118.60 2k3x h ALA 106 Ca -0.26 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 2k3x h ALA 106 Cb 1.88 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2k3x h ALA 106 CO 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 2k3x h MET 107 N 0.09 1.05 0.16 0.00 -0.00 -1.37 -1.54 114.93 113.33 2k3x h MET 107 Ca 0.05 -0.34 0.01 0.00 -0.00 0.00 0.00 59.70 59.41 2k3x h MET 107 Cb 0.54 -0.09 -0.05 0.00 -0.00 0.00 0.00 31.60 32.00 2k3x h MET 107 CO 0.02 1.04 -0.51 -0.22 -0.00 0.00 0.00 176.91 177.24 2k3x h LYS 108 N 0.95 -0.74 -0.38 -0.10 1.63 -0.88 -0.41 116.57 116.64 2k3x h LYS 108 Ca 0.17 0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.90 2k3x h LYS 108 Cb 0.58 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2k3x h LYS 108 CO 0.03 -0.49 -0.22 1.57 -3.45 0.00 0.00 179.45 176.89 2k3x h LYS 109 N -0.77 0.75 -0.31 1.90 2.10 -0.88 0.16 116.57 119.51 2k3x h LYS 109 Ca -0.01 -0.30 -0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2k3x h LYS 109 Cb 0.77 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2k3x h LYS 109 CO -0.26 0.90 0.18 -0.09 -2.00 0.00 0.00 179.45 178.18 2k3x h ARG 110 N 0.65 0.43 -0.41 0.07 1.12 -1.12 -2.63 114.38 112.49 2k3x h ARG 110 Ca 0.09 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.78 2k3x h ARG 110 Cb 0.72 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 2k3x h ARG 110 CO 0.06 0.35 -0.28 -0.07 -3.11 0.00 0.00 179.97 176.91 2k3x h LEU 111 N 0.39 0.91 -1.05 3.80 3.38 -0.70 -2.78 115.31 119.27 2k3x h LEU 111 Ca 0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2k3x h LEU 111 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2k3x h LEU 111 CO -0.02 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.64 2k3x n ALA 112 N -2.52 1.16 0.14 1.53 0.00 0.52 -0.10 120.51 121.24 2k3x n ALA 112 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.60 2k3x n ALA 112 Cb 0.48 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.76 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 0.36 0.00 2.35 -1.17 -3.24 115.58 113.87 2k3x h ASN 113 Ca 0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2k3x h ASN 113 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2k3x h ASN 113 CO 0.00 0.53 -0.97 0.25 -1.65 0.00 0.00 177.43 175.59 2k3x h LEU 114 N 0.00 0.53 0.00 1.61 6.46 -0.60 -3.52 115.31 119.78 2k3x h LEU 114 Ca -0.01 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2k3x h LEU 114 Cb 1.28 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2k3x h LEU 114 CO 0.07 1.24 0.00 1.21 -0.62 0.00 0.00 178.44 180.34