#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x h VAL 2 N 0.00 0.88 0.00 3.17 2.07 -2.04 -2.39 116.25 117.95 2k3x h VAL 2 Ca 0.00 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2k3x h VAL 2 Cb 0.00 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k3x h VAL 2 CO 0.00 0.12 -0.07 -0.78 0.02 0.00 0.00 177.57 176.86 2k3x h ASP 3 N 0.00 0.00 -0.10 0.57 3.58 -2.01 -0.59 116.42 117.86 2k3x h ASP 3 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2k3x h ASP 3 Cb 0.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2k3x h ASP 3 CO 0.02 0.07 -0.18 0.25 -2.88 0.00 0.00 179.24 176.52 2k3x h LEU 4 N 0.00 0.48 0.01 2.28 5.85 -1.83 -2.81 115.31 119.29 2k3x h LEU 4 Ca -0.00 -0.14 -0.22 0.00 0.84 0.00 0.00 57.88 58.36 2k3x h LEU 4 Cb 0.31 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2k3x h LEU 4 CO 0.01 0.68 -1.04 -0.33 -0.34 0.00 0.00 178.44 177.42 2k3x h GLU 5 N 0.45 0.02 -0.14 1.25 5.08 -1.28 -3.32 114.58 116.64 2k3x h GLU 5 Ca 0.07 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2k3x h GLU 5 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2k3x h GLU 5 CO 0.04 1.00 -0.12 0.37 -1.00 0.00 0.00 179.01 179.31 2k3x h GLN 6 N 0.01 0.22 -6.76 2.33 -0.00 -1.04 -3.37 115.11 106.48 2k3x h GLN 6 Ca -0.03 -0.05 -0.55 0.00 -0.00 0.00 0.00 58.65 58.03 2k3x h GLN 6 Cb 1.80 -0.03 0.09 0.00 0.00 0.00 0.00 27.48 29.33 2k3x h GLN 6 CO 0.13 0.34 0.80 0.39 0.00 0.00 0.00 178.83 180.49 2k3x n GLU 7 N -4.30 2.53 -1.64 1.69 1.02 -1.10 -3.80 120.64 115.04 2k3x n GLU 7 Ca -0.01 0.90 -0.39 0.00 -0.02 0.00 0.00 57.16 57.64 2k3x n GLU 7 Cb 0.25 -2.64 0.04 0.00 -0.02 0.00 0.00 31.44 29.07 2k3x n GLU 7 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2k3x n PHE 8 N 1.83 1.25 -4.09 -0.32 -1.74 -1.26 -4.69 117.46 108.44 2k3x n PHE 8 Ca 0.08 0.46 -0.11 0.00 -0.56 0.00 0.00 57.45 57.32 2k3x n PHE 8 Cb 0.36 -2.21 -0.11 0.00 1.52 0.00 0.00 39.48 39.04 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 -1.41 0.65 0.56 1.98 0.00 -1.26 -4.98 121.76 117.31 2k3x s ALA 9 Ca 0.72 -0.99 0.39 0.00 0.00 0.00 0.00 51.96 52.08 2k3x s ALA 9 Cb -0.45 0.12 2.11 0.00 0.00 0.00 0.00 23.12 24.90 2k3x s ALA 9 CO 0.50 -0.15 2.28 -0.07 0.00 0.00 0.00 175.76 178.32 2k3x h LEU 10 N 3.86 0.00 -3.27 0.00 -0.00 -1.95 -0.62 115.31 113.33 2k3x h LEU 10 Ca -0.35 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.36 2k3x h LEU 10 Cb 1.18 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.54 2k3x h LEU 10 CO 0.51 0.01 -0.78 0.61 -0.00 0.00 0.00 178.44 178.80 2k3x n GLY 11 N -0.95 1.07 3.75 0.83 0.00 -1.26 -4.41 105.19 104.21 2k3x n GLY 11 Ca -0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2k3x n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3x s GLY 12 N -1.93 2.09 0.79 -0.02 0.00 -0.24 -4.89 107.32 103.13 2k3x s GLY 12 Ca 0.21 0.60 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 2k3x s GLY 12 CO -0.10 0.97 1.14 0.50 0.00 0.00 0.00 173.10 175.62 2k3x s ARG 13 N -4.22 1.88 0.36 2.90 0.52 -1.26 -2.41 118.95 116.72 2k3x s ARG 13 Ca 0.68 -0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.71 2k3x s ARG 13 Cb -0.23 -2.01 0.03 0.00 0.52 0.00 0.00 34.95 33.26 2k3x s ARG 13 CO 0.46 -1.58 0.64 0.00 0.02 0.00 0.00 175.30 174.84 2k3x s LEU 15 N -3.15 1.85 0.03 0.00 2.01 0.04 -0.22 118.68 119.25 2k3x s LEU 15 Ca 0.23 -0.02 0.04 0.00 0.01 0.00 0.00 54.13 54.39 2k3x s LEU 15 Cb -0.03 -0.07 -0.02 0.00 0.01 0.00 0.00 46.19 46.08 2k3x s LEU 15 CO 0.16 -0.01 -0.11 0.00 1.01 0.00 0.00 176.35 177.40 2k3x s ALA 16 N 0.15 0.89 -0.02 4.21 0.00 -0.21 -1.15 121.76 125.64 2k3x s ALA 16 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 2k3x s ALA 16 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2k3x s ALA 16 CO -0.00 0.16 0.06 -0.06 0.00 0.00 0.00 175.76 175.91 2k3x s PHE 17 N -0.74 3.24 0.00 0.00 0.08 -0.20 -1.02 117.98 119.34 2k3x s PHE 17 Ca -0.00 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.24 2k3x s PHE 17 Cb -0.07 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2k3x s PHE 17 CO 0.01 0.53 0.00 0.72 -0.10 0.00 0.00 175.22 176.38 2k3x n HIS 18 N 1.39 0.00 0.00 0.36 8.25 -0.80 -4.85 115.22 119.57 2k3x n HIS 18 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2k3x n HIS 18 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 3.15 0.70 0.25 -1.41 0.00 -1.26 -4.93 105.19 101.69 2k3x n GLY 19 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2k3x n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x h PRO 20 N 0.00 0.60 0.00 1.61 0.13 -2.03 -3.46 132.00 128.84 2k3x h PRO 20 Ca 0.00 -0.23 -0.18 0.00 -0.87 0.00 0.00 66.00 64.72 2k3x h PRO 20 Cb 0.00 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.05 2k3x h PRO 20 CO 0.00 0.78 -0.08 -0.11 -0.23 0.00 0.00 178.00 178.36 2k3x n LEU 21 N -4.12 0.00 -4.13 1.56 7.94 -1.26 -4.94 117.00 112.04 2k3x n LEU 21 Ca -0.00 -2.02 -0.16 0.00 -1.11 0.00 0.00 56.01 52.72 2k3x n LEU 21 Cb 0.41 1.89 -0.12 0.00 0.53 0.00 0.00 43.42 46.14 2k3x n LEU 21 CO 0.43 -0.48 -0.43 -0.32 -1.11 0.00 0.00 177.39 175.48 2k3x s MET 22 N -2.52 0.71 0.12 1.96 -2.45 -1.26 -1.90 119.30 113.96 2k3x s MET 22 Ca 0.20 -0.90 0.04 0.00 -1.25 0.00 0.00 55.69 53.78 2k3x s MET 22 Cb -0.01 -0.59 -0.04 0.00 1.25 0.00 0.00 34.83 35.44 2k3x s MET 22 CO 0.14 0.12 -0.11 0.71 1.05 0.00 0.00 175.02 176.94 2k3x s TYR 23 N -1.44 1.19 0.41 4.11 2.02 -0.19 -4.93 117.35 118.53 2k3x s TYR 23 Ca -0.04 -0.70 -0.26 0.00 -0.37 0.00 0.00 57.07 55.70 2k3x s TYR 23 Cb -0.09 -0.63 -0.09 0.00 -0.40 0.00 0.00 41.96 40.75 2k3x s TYR 23 CO 0.01 0.05 1.35 -1.21 -1.57 0.00 0.00 175.55 174.18 2k3x s GLU 24 N -3.23 3.94 0.30 -0.62 8.01 -1.26 -1.04 118.70 124.79 2k3x s GLU 24 Ca 0.11 2.26 0.06 0.00 0.01 0.00 0.00 54.97 57.41 2k3x s GLU 24 Cb -0.00 -2.78 -0.06 0.00 -4.31 0.00 0.00 34.13 26.98 2k3x s GLU 24 CO 0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 175.26 174.70 2k3x s ALA 25 N -1.23 2.38 -0.33 5.21 0.00 0.70 -0.98 121.76 127.52 2k3x s ALA 25 Ca 0.57 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.58 2k3x s ALA 25 Cb -0.40 0.32 0.15 0.00 0.00 0.00 0.00 23.12 23.19 2k3x s ALA 25 CO 0.52 -0.14 0.37 0.21 0.00 0.00 0.00 175.76 176.73 2k3x s LYS 26 N -3.77 0.51 0.32 0.00 2.20 -0.49 -1.33 119.74 117.17 2k3x s LYS 26 Ca 0.32 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 2k3x s LYS 26 Cb 0.05 -0.56 -0.12 0.00 -1.51 0.00 0.00 37.83 35.70 2k3x s LYS 26 CO 0.13 -1.11 1.48 -0.89 -0.36 0.00 0.00 175.35 174.60 2k3x n ILE 27 N 4.82 1.44 0.15 5.43 5.41 -1.01 -1.62 119.36 133.98 2k3x n ILE 27 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.44 2k3x n ILE 27 Cb 0.47 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2k3x n ILE 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k3x n LEU 28 N 1.46 -0.30 -4.57 1.39 0.00 -0.50 -4.24 117.00 110.24 2k3x n LEU 28 Ca 0.06 0.52 -0.38 0.00 0.00 0.00 0.00 56.01 56.21 2k3x n LEU 28 Cb 0.36 0.52 -0.11 0.00 0.00 0.00 0.00 43.42 44.20 2k3x n LEU 28 CO 0.63 -0.77 -0.17 -0.75 0.00 0.00 0.00 177.39 176.33 2k3x s LYS 29 N -2.00 3.85 -0.00 1.96 2.20 -1.14 -4.26 119.74 120.35 2k3x s LYS 29 Ca 0.00 -0.39 0.08 0.00 -0.36 0.00 0.00 55.97 55.30 2k3x s LYS 29 Cb 0.00 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2k3x s LYS 29 CO 0.00 -0.23 -0.24 0.96 -0.36 0.00 0.00 175.35 175.49 2k3x s ILE 30 N 1.74 2.28 0.08 5.43 -0.00 0.54 -0.46 121.20 130.81 2k3x s ILE 30 Ca 0.07 -1.13 0.06 0.00 -0.00 0.00 0.00 60.65 59.65 2k3x s ILE 30 Cb -0.16 -1.84 -0.03 0.00 -0.00 0.00 0.00 42.46 40.43 2k3x s ILE 30 CO 0.10 0.51 -0.16 0.86 -0.00 0.00 0.00 174.94 176.26 2k3x s TRP 31 N -0.70 1.37 -0.10 1.37 -0.11 0.27 -0.34 118.94 120.69 2k3x s TRP 31 Ca 0.11 -0.45 -0.04 0.00 1.22 0.00 0.00 56.10 56.94 2k3x s TRP 31 Cb -0.10 -0.76 0.05 0.00 -1.50 0.00 0.00 33.47 31.16 2k3x s TRP 31 CO 0.00 0.10 0.21 0.34 -4.62 0.00 0.00 176.95 172.98 2k3x s ASP 32 N -1.78 0.36 0.25 5.86 -1.08 -1.18 -1.63 116.67 117.46 2k3x s ASP 32 Ca 0.00 0.47 0.17 0.00 -0.52 0.00 0.00 52.55 52.67 2k3x s ASP 32 Cb -0.10 0.46 0.92 0.00 -1.46 0.00 0.00 42.92 42.74 2k3x s ASP 32 CO 0.03 -0.22 1.53 -0.81 0.52 0.00 0.00 175.17 176.22 2k3x n PRO 33 N 5.07 0.11 0.28 4.34 -0.04 -1.26 -2.53 135.00 140.98 2k3x n PRO 33 Ca -0.10 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 2k3x n PRO 33 Cb 0.50 -1.85 0.83 0.00 -0.04 0.00 0.00 33.50 32.94 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 -2.84 113.55 112.34 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 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2k3x h SER 34 CO 0.00 0.05 0.00 -1.20 -1.14 0.00 0.00 176.83 174.54 2k3x n SER 35 N -3.82 0.23 -4.08 3.07 7.64 -1.19 -5.03 113.62 110.43 2k3x n SER 35 Ca -0.03 -0.56 -0.28 0.00 1.01 0.00 0.00 58.87 59.02 2k3x n SER 35 Cb 0.14 0.44 -0.04 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 -0.44 -2.59 -4.20 1.43 5.02 -1.05 -4.99 118.16 111.34 2k3x n LYS 36 Ca 0.00 0.31 -0.17 0.00 -2.02 0.00 0.00 58.31 56.43 2k3x n LYS 36 Cb 0.03 -4.30 -0.07 0.00 -0.02 0.00 0.00 35.03 30.67 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 -6.82 1.79 0.00 1.97 -1.94 -1.25 -4.85 119.30 108.20 2k3x s MET 37 Ca 0.06 -1.90 0.00 0.00 -1.71 0.00 0.00 55.69 52.15 2k3x s MET 37 Cb -0.04 0.37 0.00 0.00 2.01 0.00 0.00 34.83 37.17 2k3x s MET 37 CO 0.92 -0.69 0.00 2.48 -0.01 0.00 0.00 175.02 177.72 2k3x n TYR 38 N -0.58 0.00 -3.61 -0.03 4.11 -1.26 -3.09 117.16 112.70 2k3x n TYR 38 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.88 2k3x n TYR 38 Cb 0.62 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.94 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 -0.52 0.00 0.27 -3.48 -4.23 0.53 -3.58 115.64 104.62 2k3x s THR 39 Ca 0.00 -0.31 -0.21 0.00 -1.18 0.00 0.00 61.69 59.99 2k3x s THR 39 Cb 0.00 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.45 2k3x s THR 39 CO 0.00 0.00 0.81 -0.55 -0.54 0.00 0.00 174.62 174.34 2k3x s SER 40 N -2.71 -0.17 0.02 3.99 0.15 -1.26 -0.34 113.70 113.39 2k3x s SER 40 Ca 0.08 -0.68 0.03 0.00 0.70 0.00 0.00 55.95 56.07 2k3x s SER 40 Cb -0.01 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.97 2k3x s SER 40 CO -0.04 -1.30 -0.08 0.27 1.20 0.00 0.00 173.24 173.29 2k3x s ILE 41 N -3.31 0.64 -1.41 6.45 -5.25 -1.26 -1.50 121.20 115.56 2k3x s ILE 41 Ca 0.13 -0.69 0.01 0.00 -0.99 0.00 0.00 60.65 59.12 2k3x s ILE 41 Cb -0.05 -0.60 0.05 0.00 2.95 0.00 0.00 42.46 44.82 2k3x s ILE 41 CO 0.07 -0.06 0.78 -0.81 -1.79 0.00 0.00 174.94 173.13 2k3x n PRO 42 N 2.23 1.20 0.29 0.37 -0.04 -1.22 -4.16 135.00 133.67 2k3x n PRO 42 Ca -0.17 -0.20 0.16 0.00 -0.04 0.00 0.00 63.50 63.25 2k3x n PRO 42 Cb 0.56 -1.33 0.86 0.00 -0.04 0.00 0.00 33.50 33.55 2k3x n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3x h ASN 43 N 0.29 0.00 -2.22 3.54 -0.73 -1.96 -3.42 115.58 111.07 2k3x h ASN 43 Ca 0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 2k3x h ASN 43 Cb 0.37 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 2k3x h ASN 43 CO 0.02 0.06 -0.05 -0.67 -0.37 0.00 0.00 177.43 176.42 2k3x n ASP 44 N -3.44 -0.12 -3.87 1.15 -0.08 -1.26 -5.07 116.55 103.86 2k3x n ASP 44 Ca -0.02 -1.28 -0.11 0.00 -1.51 0.00 0.00 54.79 51.88 2k3x n ASP 44 Cb 0.19 0.26 -0.09 0.00 2.34 0.00 0.00 41.12 43.82 2k3x n ASP 44 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2k3x s LYS 45 N -2.16 0.60 0.68 -0.67 -2.85 -1.26 -1.88 119.74 112.21 2k3x s LYS 45 Ca 0.05 -0.55 -0.09 0.00 -1.00 0.00 0.00 55.97 54.37 2k3x s LYS 45 Cb 0.00 0.25 0.15 0.00 -2.06 0.00 0.00 37.83 36.17 2k3x s LYS 45 CO 0.03 -0.16 0.93 -0.35 0.10 0.00 0.00 175.35 175.91 2k3x n PRO 46 N 0.99 -0.72 0.05 1.78 -0.04 -1.26 -4.93 135.00 130.88 2k3x n PRO 46 Ca -0.20 -1.65 -0.05 0.00 -0.04 0.00 0.00 63.50 61.56 2k3x n PRO 46 Cb 0.57 -0.89 0.15 0.00 -0.04 0.00 0.00 33.50 33.29 2k3x n PRO 46 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k3x h GLY 47 N -1.10 0.40 -0.24 0.55 0.00 -2.00 -3.34 103.07 97.34 2k3x h GLY 47 Ca -0.30 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2k3x h GLY 47 CO 0.24 0.38 -0.04 0.61 0.00 0.00 0.00 176.54 177.72 2k3x n GLY 48 N -0.00 -0.17 3.17 4.60 0.00 -1.26 -4.89 105.19 106.63 2k3x n GLY 48 Ca -0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2k3x n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x s SER 49 N -2.09 0.03 0.45 1.61 0.01 -1.25 -5.06 113.70 107.40 2k3x s SER 49 Ca 0.36 -0.34 0.22 0.00 1.31 0.00 0.00 55.95 57.50 2k3x s SER 49 Cb 0.21 0.28 1.08 0.00 0.21 0.00 0.00 66.02 67.80 2k3x s SER 49 CO 0.37 -0.53 1.93 0.28 0.41 0.00 0.00 173.24 175.70 2k3x h SER 50 N 3.56 0.00 -4.81 2.44 0.02 -1.90 -3.37 113.55 109.48 2k3x h SER 50 Ca -0.32 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 2k3x h SER 50 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.59 2k3x h SER 50 CO 0.47 0.23 0.36 -1.58 -1.14 0.00 0.00 176.83 175.18 2k3x s GLN 51 N -4.05 1.04 -0.85 3.45 0.74 -1.26 -4.81 119.66 113.92 2k3x s GLN 51 Ca -0.02 -0.39 -0.08 0.00 0.05 0.00 0.00 55.36 54.93 2k3x s GLN 51 Cb 0.13 0.48 -0.15 0.00 1.10 0.00 0.00 33.01 34.56 2k3x s GLN 51 CO 0.64 -0.46 3.03 0.00 -0.55 0.00 0.00 175.29 177.96 2k3x n ALA 52 N -0.31 6.53 -0.02 1.58 0.00 -0.78 -4.78 120.51 122.73 2k3x n ALA 52 Ca -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.76 2k3x n ALA 52 Cb 0.63 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 3.21 0.00 -3.63 0.00 -1.04 -1.26 -3.41 114.28 108.15 2k3x n THR 53 Ca 0.58 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.53 2k3x n THR 53 Cb 0.48 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.40 -1.57 -2.82 4.81 -1.26 -4.78 118.16 112.95 2k3x n LYS 54 Ca 0.00 -1.20 -0.39 0.00 -0.87 0.00 0.00 58.31 55.86 2k3x n LYS 54 Cb 0.00 1.27 -0.03 0.00 0.02 0.00 0.00 35.03 36.28 2k3x n LYS 54 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k3x n GLU 55 N -0.26 1.35 -2.57 1.64 1.02 -1.26 -4.05 120.64 116.51 2k3x n GLU 55 Ca -0.01 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 2k3x n GLU 55 Cb 0.27 -3.35 -0.03 0.00 -0.02 0.00 0.00 31.44 28.32 2k3x n GLU 55 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k3x s ILE 56 N 10.81 4.48 0.35 -3.67 1.01 -0.56 -4.97 121.20 128.64 2k3x s ILE 56 Ca 1.00 1.78 -0.27 0.00 0.00 0.00 0.00 60.65 63.16 2k3x s ILE 56 Cb -0.25 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 37.99 2k3x s ILE 56 CO 0.30 0.09 1.09 -0.54 0.00 0.00 0.00 174.94 175.88 2k3x s LYS 57 N 1.38 4.36 0.14 2.79 3.01 -1.26 -4.10 119.74 126.06 2k3x s LYS 57 Ca 0.54 1.70 -0.35 0.00 -1.01 0.00 0.00 55.97 56.85 2k3x s LYS 57 Cb -0.24 -2.86 -0.15 0.00 -1.01 0.00 0.00 37.83 33.58 2k3x s LYS 57 CO 0.26 -0.01 1.50 -2.30 0.51 0.00 0.00 175.35 175.31 2k3x n PRO 58 N 0.52 1.82 -4.16 -1.68 -0.02 -1.23 -4.81 135.00 125.44 2k3x n PRO 58 Ca 0.02 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 2k3x n PRO 58 Cb 0.47 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 2k3x n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k3x s GLN 59 N 0.78 0.78 0.48 -0.52 -0.21 -1.26 -4.92 119.66 114.79 2k3x s GLN 59 Ca 0.81 -1.00 0.19 0.00 0.02 0.00 0.00 55.36 55.38 2k3x s GLN 59 Cb -0.77 -0.64 1.04 0.00 1.00 0.00 0.00 33.01 33.64 2k3x s GLN 59 CO 0.41 0.12 1.53 -0.22 -2.12 0.00 0.00 175.29 175.01 2k3x h LYS 60 N 4.05 0.00 -3.00 2.91 3.64 -1.94 -3.35 116.57 118.89 2k3x h LYS 60 Ca -0.39 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.34 2k3x h LYS 60 Cb 1.19 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.91 2k3x h LYS 60 CO 0.45 0.00 -0.59 1.47 -2.27 0.00 0.00 179.45 178.51 2k3x n LEU 61 N -2.40 -0.69 0.00 5.20 -0.00 -1.26 -4.96 117.00 112.89 2k3x n LEU 61 Ca -0.01 1.54 0.00 0.00 -0.00 0.00 0.00 56.01 57.54 2k3x n LEU 61 Cb 0.38 -4.14 0.00 0.00 -0.00 0.00 0.00 43.42 39.66 2k3x n LEU 61 CO 0.08 -3.29 0.00 0.61 -0.00 0.00 0.00 177.39 174.80 2k3x n GLY 62 N -3.95 1.23 0.13 1.47 0.00 -1.26 -5.02 105.19 97.79 2k3x n GLY 62 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.38 0.05 0.00 1.61 4.39 -2.01 -3.41 114.58 115.59 2k3x h GLU 63 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k3x h GLU 63 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2k3x h GLU 63 CO 0.00 0.73 0.00 -3.47 -1.16 0.00 0.00 179.01 175.11 2k3x n ASP 64 N -3.73 0.00 -3.95 1.42 2.03 -1.26 -5.14 116.55 105.92 2k3x n ASP 64 Ca -0.01 -0.25 -0.09 0.00 0.52 0.00 0.00 54.79 54.96 2k3x n ASP 64 Cb 0.68 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 41.00 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 0.68 -0.13 -0.67 1.03 -1.26 -5.14 118.70 113.21 2k3x s GLU 65 Ca 0.00 -0.94 -0.06 0.00 0.03 0.00 0.00 54.97 53.99 2k3x s GLU 65 Cb 0.00 0.26 0.05 0.00 -0.80 0.00 0.00 34.13 33.64 2k3x s GLU 65 CO 0.00 -0.17 0.30 -1.12 -1.33 0.00 0.00 175.26 172.93 2k3x s SER 66 N -2.57 -0.29 -0.14 0.83 0.01 -1.26 -4.06 113.70 106.21 2k3x s SER 66 Ca 0.01 0.64 -0.18 0.00 1.31 0.00 0.00 55.95 57.73 2k3x s SER 66 Cb 0.03 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 2k3x s SER 66 CO -0.08 -0.18 0.50 0.27 0.41 0.00 0.00 173.24 174.16 2k3x s ILE 67 N 1.42 5.16 0.72 1.44 -0.00 -1.26 -4.78 121.20 123.90 2k3x s ILE 67 Ca -0.08 0.98 -0.14 0.00 -0.00 0.00 0.00 60.65 61.40 2k3x s ILE 67 Cb -0.10 -3.84 0.04 0.00 -0.00 0.00 0.00 42.46 38.56 2k3x s ILE 67 CO -0.10 0.27 1.14 -2.84 -0.00 0.00 0.00 174.94 173.42 2k3x s PRO 68 N 0.96 2.33 0.55 0.37 0.02 -1.26 -4.83 135.00 133.14 2k3x s PRO 68 Ca 0.26 1.50 0.25 0.00 0.02 0.00 0.00 61.00 63.03 2k3x s PRO 68 Cb -0.15 -1.88 1.47 0.00 0.02 0.00 0.00 34.50 33.96 2k3x s PRO 68 CO 0.10 -1.64 2.04 0.93 -0.33 0.00 0.00 177.00 178.11 2k3x h GLU 69 N -0.42 0.00 -0.17 5.54 5.08 -1.99 -0.77 114.58 121.85 2k3x h GLU 69 Ca -0.46 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2k3x h GLU 69 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2k3x h GLU 69 CO 0.51 0.00 0.15 0.93 -1.00 0.00 0.00 179.01 179.60 2k3x h GLU 70 N 0.00 0.00 0.00 2.33 5.08 -2.04 -3.16 114.58 116.78 2k3x h GLU 70 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2k3x h GLU 70 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2k3x h GLU 70 CO -0.00 0.00 -1.22 0.44 -1.00 0.00 0.00 179.01 177.23 2k3x n ILE 71 N -4.12 0.16 -0.34 3.13 -5.35 -0.41 -4.76 119.36 107.67 2k3x n ILE 71 Ca 0.01 -0.13 0.24 0.00 -0.27 0.00 0.00 62.75 62.60 2k3x n ILE 71 Cb 0.27 -0.41 0.48 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.35 0.00 7.28 5.03 -1.21 -0.98 117.51 127.97 2k3x h ILE 72 Ca -0.06 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 2k3x h ILE 72 Cb 0.83 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 2k3x h ILE 72 CO 0.00 0.07 0.00 -0.46 -0.68 0.00 0.00 178.15 177.08 2k3x n ASN 73 N -4.95 0.00 -3.57 1.72 0.23 -1.26 -4.05 115.26 103.38 2k3x n ASN 73 Ca 0.31 0.13 -0.19 0.00 -0.53 0.00 0.00 54.58 54.30 2k3x n ASN 73 Cb 0.97 -0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 38.32 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 -2.54 2.26 -0.03 4.83 0.00 -0.37 -4.89 107.32 106.58 2k3x s GLY 74 Ca 0.09 -1.92 -0.37 0.00 0.00 0.00 0.00 44.72 42.52 2k3x s GLY 74 CO 0.13 -1.51 1.60 0.28 0.00 0.00 0.00 173.10 173.60 2k3x n LYS 75 N -0.61 1.54 -4.51 2.90 4.76 -1.26 -4.43 118.16 116.55 2k3x n LYS 75 Ca 0.05 0.56 -0.29 0.00 -2.87 0.00 0.00 58.31 55.76 2k3x n LYS 75 Cb 0.63 -2.28 -0.13 0.00 -1.84 0.00 0.00 35.03 31.41 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 -1.00 0.94 -0.23 0.00 0.08 -0.18 -0.57 117.98 117.02 2k3x s PHE 77 Ca 0.13 -0.62 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 2k3x s PHE 77 Cb -0.10 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 2k3x s PHE 77 CO 0.05 -0.51 1.60 0.12 -0.10 0.00 0.00 175.22 176.38 2k3x s PHE 78 N 1.88 2.14 0.06 0.36 5.36 0.39 -1.57 117.98 126.60 2k3x s PHE 78 Ca 0.01 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 56.62 2k3x s PHE 78 Cb -0.15 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.51 2k3x s PHE 78 CO -0.07 -2.84 -0.20 0.96 -1.46 0.00 0.00 175.22 171.61 2k3x s ILE 79 N 5.21 1.58 -0.28 3.12 -4.36 -0.02 -1.41 121.20 125.05 2k3x s ILE 79 Ca 0.71 -1.25 -0.24 0.00 -0.26 0.00 0.00 60.65 59.61 2k3x s ILE 79 Cb -0.24 -1.40 -0.00 0.00 1.25 0.00 0.00 42.46 42.07 2k3x s ILE 79 CO 0.29 0.11 0.82 -2.28 0.24 0.00 0.00 174.94 174.11 2k3x s HIS 80 N -0.90 3.25 -0.56 1.37 5.65 -0.64 -2.33 115.29 121.13 2k3x s HIS 80 Ca 0.06 0.98 -0.28 0.00 0.25 0.00 0.00 55.06 56.07 2k3x s HIS 80 Cb -0.09 -3.16 0.02 0.00 -1.18 0.00 0.00 32.58 28.17 2k3x s HIS 80 CO 0.02 -0.50 1.39 0.71 -0.65 0.00 0.00 174.74 175.71 2k3x s TYR 81 N 2.93 2.32 0.53 3.88 2.02 -1.25 -1.39 117.35 126.39 2k3x s TYR 81 Ca 0.34 0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 57.34 2k3x s TYR 81 Cb -0.15 -4.41 -0.07 0.00 -0.40 0.00 0.00 41.96 36.94 2k3x s TYR 81 CO 0.10 -1.93 1.01 -0.65 -1.57 0.00 0.00 175.55 172.51 2k3x s GLN 82 N 5.43 3.78 0.00 -0.62 -0.21 -0.15 -2.66 119.66 125.23 2k3x s GLN 82 Ca 0.51 1.07 0.00 0.00 0.02 0.00 0.00 55.36 56.97 2k3x s GLN 82 Cb -0.10 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.80 2k3x s GLN 82 CO 0.25 -0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 2k3x n GLY 83 N -1.22 0.44 3.34 3.09 0.00 -1.26 -4.32 105.19 105.26 2k3x n GLY 83 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.19 1.59 0.42 1.61 0.52 -1.09 -5.13 118.94 114.68 2k3x s TRP 84 Ca 0.00 -1.05 -0.26 0.00 0.02 0.00 0.00 56.10 54.81 2k3x s TRP 84 Cb 0.00 -0.95 -0.09 0.00 -1.15 0.00 0.00 33.47 31.28 2k3x s TRP 84 CO 0.00 -0.17 1.43 0.15 0.02 0.00 0.00 176.95 178.38 2k3x s LYS 85 N -3.94 3.85 0.28 4.98 -0.14 -1.26 -4.88 119.74 118.63 2k3x s LYS 85 Ca 0.33 2.43 0.18 0.00 -1.36 0.00 0.00 55.97 57.56 2k3x s LYS 85 Cb 0.07 -2.77 0.97 0.00 -1.68 0.00 0.00 37.83 34.42 2k3x s LYS 85 CO 0.12 -0.69 1.53 0.43 -0.76 0.00 0.00 175.35 175.98 2k3x n SER 86 N 0.05 0.46 0.26 2.83 7.64 -1.26 -0.88 113.62 122.72 2k3x n SER 86 Ca 0.04 0.70 0.18 0.00 1.01 0.00 0.00 58.87 60.80 2k3x n SER 86 Cb 0.41 -0.75 0.92 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.10 6.43 0.02 -1.97 -1.24 113.55 116.69 2k3x h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 87 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2k3x h SER 87 CO 0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 2k3x n TRP 88 N -3.51 0.25 -1.92 3.45 7.02 -0.06 -4.75 117.44 117.91 2k3x n TRP 88 Ca -0.00 -0.10 -0.35 0.00 -1.02 0.00 0.00 57.50 56.03 2k3x n TRP 88 Cb 0.26 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 29.01 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 -0.47 5.02 0.01 -0.99 1.01 -0.47 -3.77 116.67 116.99 2k3x s ASP 89 Ca 0.08 0.32 -0.09 0.00 0.71 0.00 0.00 52.55 53.57 2k3x s ASP 89 Cb 0.05 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.46 2k3x s ASP 89 CO 0.03 -2.61 0.18 -0.70 0.21 0.00 0.00 175.17 172.28 2k3x s GLU 90 N 7.37 0.55 0.46 8.23 2.56 -0.98 -4.91 118.70 131.98 2k3x s GLU 90 Ca 0.75 -0.40 -0.12 0.00 0.00 0.00 0.00 54.97 55.20 2k3x s GLU 90 Cb -0.13 0.23 -0.06 0.00 2.00 0.00 0.00 34.13 36.17 2k3x s GLU 90 CO 0.18 -0.14 0.85 -1.58 -0.56 0.00 0.00 175.26 174.01 2k3x s TRP 91 N -1.56 3.49 0.04 5.30 0.52 -1.26 -0.84 118.94 124.64 2k3x s TRP 91 Ca -0.13 1.16 0.01 0.00 0.02 0.00 0.00 56.10 57.16 2k3x s TRP 91 Cb -0.06 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 2k3x s TRP 91 CO 0.01 -0.25 -0.06 0.14 0.02 0.00 0.00 176.95 176.82 2k3x s VAL 92 N -2.55 0.39 0.69 4.03 -7.23 -0.61 -4.92 120.40 110.20 2k3x s VAL 92 Ca 0.53 -1.23 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 2k3x s VAL 92 Cb -0.10 -0.75 0.08 0.00 0.56 0.00 0.00 36.38 36.17 2k3x s VAL 92 CO 0.35 -0.56 0.98 -0.83 -0.31 0.00 0.00 175.10 174.73 2k3x s GLY 93 N -1.89 1.74 0.58 2.32 0.00 -1.26 -1.01 107.32 107.79 2k3x s GLY 93 Ca -0.07 -1.20 0.33 0.00 0.00 0.00 0.00 44.72 43.79 2k3x s GLY 93 CO -0.02 -0.76 2.17 -1.82 0.00 0.00 0.00 173.10 172.67 2k3x h TYR 94 N -0.50 0.00 -0.13 1.90 5.03 -1.75 0.16 116.97 121.67 2k3x h TYR 94 Ca -0.42 0.00 0.04 0.00 2.58 0.00 0.00 58.73 60.92 2k3x h TYR 94 Cb 1.30 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 2k3x h TYR 94 CO 0.13 0.05 0.15 0.22 -1.32 0.00 0.00 178.16 177.39 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.15 116.42 112.80 2k3x h ASP 95 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 2k3x h ASP 95 Cb 0.22 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 2k3x h ASP 95 CO 0.01 0.00 -1.94 0.54 -2.88 0.00 0.00 179.24 174.96 2k3x n ARG 96 N -3.81 1.00 -4.42 0.28 3.00 -0.07 -4.96 116.66 107.69 2k3x n ARG 96 Ca 0.00 0.06 -0.24 0.00 -0.01 0.00 0.00 57.85 57.66 2k3x n ARG 96 Cb 0.26 -1.34 -0.09 0.00 0.00 0.00 0.00 32.46 31.28 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2k3x s ILE 97 N -2.33 2.75 0.04 0.55 2.07 -0.55 -1.04 121.20 122.70 2k3x s ILE 97 Ca -0.16 -2.24 -0.02 0.00 -1.41 0.00 0.00 60.65 56.81 2k3x s ILE 97 Cb 0.05 -2.45 -0.03 0.00 0.13 0.00 0.00 42.46 40.17 2k3x s ILE 97 CO 0.45 -0.38 0.01 -0.13 -1.91 0.00 0.00 174.94 172.99 2k3x s ARG 98 N -3.51 0.55 0.93 3.50 0.52 -0.30 -4.54 118.95 116.11 2k3x s ARG 98 Ca 0.30 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.41 2k3x s ARG 98 Cb -0.06 0.20 0.15 0.00 0.52 0.00 0.00 34.95 35.76 2k3x s ARG 98 CO 0.16 -0.11 1.10 0.00 0.02 0.00 0.00 175.30 176.46 2k3x s ALA 99 N -3.11 1.39 -0.05 2.13 0.00 -1.25 -0.78 121.76 120.10 2k3x s ALA 99 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 2k3x s ALA 99 Cb 0.02 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2k3x s ALA 99 CO -0.07 -2.49 1.58 -0.47 0.00 0.00 0.00 175.76 174.31 2k3x s TYR 100 N -3.00 2.23 0.17 0.00 5.04 0.87 -4.59 117.35 118.07 2k3x s TYR 100 Ca 0.64 0.38 -0.24 0.00 -2.44 0.00 0.00 57.07 55.40 2k3x s TYR 100 Cb -0.18 -3.84 0.06 0.00 0.35 0.00 0.00 41.96 38.35 2k3x s TYR 100 CO 0.57 -3.43 0.91 0.54 -1.34 0.00 0.00 175.55 172.79 2k3x s ASN 101 N 2.91 -0.21 0.40 4.32 2.20 -1.26 -4.46 114.94 118.84 2k3x s ASN 101 Ca 0.70 -0.42 0.08 0.00 -0.94 0.00 0.00 52.86 52.28 2k3x s ASN 101 Cb -0.32 0.53 0.82 0.00 -2.00 0.00 0.00 41.25 40.28 2k3x s ASN 101 CO 0.28 -0.98 1.99 -0.08 -2.94 0.00 0.00 177.10 175.37 2k3x h GLU 102 N 2.00 0.42 -0.08 3.55 4.81 -1.93 -0.67 114.58 122.69 2k3x h GLU 102 Ca -0.23 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.83 2k3x h GLU 102 Cb 1.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2k3x h GLU 102 CO 0.25 0.38 -0.47 1.49 -0.73 0.00 0.00 179.01 179.93 2k3x h GLU 103 N 0.42 0.18 0.00 1.92 4.81 -1.97 0.16 114.58 120.11 2k3x h GLU 103 Ca 0.10 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2k3x h GLU 103 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k3x h GLU 103 CO -0.01 0.62 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.55 2k3x h ASN 104 N 0.15 0.00 0.87 1.04 2.35 -1.51 -1.55 115.58 116.94 2k3x h ASN 104 Ca 0.01 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 2k3x h ASN 104 Cb 0.89 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 2k3x h ASN 104 CO 0.07 0.43 -0.89 0.40 -1.65 0.00 0.00 177.43 175.79 2k3x h ILE 105 N 0.00 1.63 -0.32 2.81 5.03 -0.88 0.74 117.51 126.53 2k3x h ILE 105 Ca -0.00 -3.02 -0.04 0.00 -0.12 0.00 0.00 64.86 61.68 2k3x h ILE 105 Cb 1.26 2.64 -0.01 0.00 -3.03 0.00 0.00 36.82 37.67 2k3x h ILE 105 CO 0.06 0.86 0.05 0.00 -0.68 0.00 0.00 178.15 178.44 2k3x h ALA 106 N 1.10 0.43 -0.27 1.87 0.00 -0.37 0.31 119.26 122.33 2k3x h ALA 106 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k3x h ALA 106 Cb 1.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2k3x h ALA 106 CO 0.12 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.61 2k3x h MET 107 N 0.36 0.25 -0.42 0.00 -0.00 -1.28 -1.78 114.93 112.06 2k3x h MET 107 Ca 0.10 -0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.84 2k3x h MET 107 Cb 0.35 -0.06 -0.05 0.00 -0.00 0.00 0.00 31.60 31.84 2k3x h MET 107 CO 0.01 0.16 0.11 -0.22 -0.00 0.00 0.00 176.91 176.97 2k3x h LYS 108 N 0.26 0.24 -0.12 -0.10 1.63 -0.52 -1.42 116.57 116.53 2k3x h LYS 108 Ca 0.11 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.93 2k3x h LYS 108 Cb 0.05 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2k3x h LYS 108 CO -0.09 0.16 -0.05 0.87 -3.45 0.00 0.00 179.45 176.89 2k3x h LYS 109 N 0.25 -0.03 -0.49 1.90 1.79 0.09 0.16 116.57 120.24 2k3x h LYS 109 Ca 0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 2k3x h LYS 109 Cb 0.23 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2k3x h LYS 109 CO -0.25 -0.02 0.20 0.00 -1.08 0.00 0.00 179.45 178.30 2k3x h ARG 110 N -0.03 0.74 0.17 3.15 -0.00 -1.03 -3.04 114.38 114.34 2k3x h ARG 110 Ca 0.07 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.98 59.40 2k3x h ARG 110 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 29.98 2k3x h ARG 110 CO -0.15 0.66 -0.08 -0.07 0.00 0.00 0.00 179.97 180.33 2k3x h LEU 111 N 0.66 -0.19 -2.71 3.04 3.38 -0.66 -1.94 115.31 116.89 2k3x h LEU 111 Ca 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k3x h LEU 111 Cb 0.20 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k3x h LEU 111 CO -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 178.44 178.43 2k3x h ALA 112 N 0.53 1.09 0.00 1.53 0.00 -0.76 0.18 119.26 121.83 2k3x h ALA 112 Ca -0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2k3x h ALA 112 Cb 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k3x h ALA 112 CO 0.04 0.01 -0.58 -0.97 0.00 0.00 0.00 179.25 177.75 2k3x h ASN 113 N 0.00 0.00 1.17 0.00 -1.24 -1.24 -3.23 115.58 111.04 2k3x h ASN 113 Ca -0.00 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 2k3x h ASN 113 Cb 0.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 2k3x h ASN 113 CO 0.00 0.58 -0.79 0.25 -1.29 0.00 0.00 177.43 176.18 2k3x h LEU 114 N 0.00 0.00 0.00 0.34 6.46 -0.33 -3.52 115.31 118.26 2k3x h LEU 114 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2k3x h LEU 114 Cb 1.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2k3x h LEU 114 CO 0.08 0.79 0.00 1.21 -0.62 0.00 0.00 178.44 179.90