#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3y s VAL 2 N 0.00 2.85 0.00 1.12 -7.23 -1.26 -4.94 120.40 110.94 2k3y s VAL 2 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2k3y s VAL 2 Cb 0.00 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2k3y s VAL 2 CO 0.00 -0.28 0.00 -0.67 -0.31 0.00 0.00 175.10 173.84 2k3y n ASP 3 N -2.92 0.00 0.28 4.85 2.03 -1.26 -4.93 116.55 114.60 2k3y n ASP 3 Ca 0.11 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.56 2k3y n ASP 3 Cb 0.52 0.25 0.81 0.00 -0.72 0.00 0.00 41.12 41.98 2k3y n ASP 3 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2k3y h LEU 4 N 0.00 0.00 -2.19 -2.67 5.85 -1.95 -2.04 115.31 112.30 2k3y h LEU 4 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2k3y h LEU 4 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2k3y h LEU 4 CO 0.00 0.06 0.27 -0.33 -0.34 0.00 0.00 178.44 178.10 2k3y h GLU 5 N 0.00 0.00 -0.43 1.25 4.39 -1.92 -1.03 114.58 116.85 2k3y h GLU 5 Ca -0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2k3y h GLU 5 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2k3y h GLU 5 CO 0.01 0.00 0.28 0.37 -1.16 0.00 0.00 179.01 178.51 2k3y h GLN 6 N 0.00 0.46 -6.45 2.33 4.15 -1.59 -3.36 115.11 110.66 2k3y h GLN 6 Ca 0.09 -0.03 -0.46 0.00 0.77 0.00 0.00 58.65 59.02 2k3y h GLN 6 Cb 0.62 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.21 2k3y h GLN 6 CO -0.00 0.31 -0.25 -1.21 -1.93 0.00 0.00 178.83 175.74 2k3y s GLU 7 N -5.44 3.33 0.00 1.69 0.41 -0.39 -4.36 118.70 113.94 2k3y s GLU 7 Ca -0.08 -0.58 -0.14 0.00 -0.41 0.00 0.00 54.97 53.77 2k3y s GLU 7 Cb 0.18 -2.72 -0.17 0.00 -1.78 0.00 0.00 34.13 29.64 2k3y s GLU 7 CO 0.73 0.11 1.09 1.97 -0.49 0.00 0.00 175.26 178.68 2k3y n PHE 8 N -1.74 0.00 -1.99 1.61 -1.74 -1.26 -4.71 117.46 107.63 2k3y n PHE 8 Ca -0.04 -0.38 -0.40 0.00 -0.56 0.00 0.00 57.45 56.07 2k3y n PHE 8 Cb 0.57 -0.60 -0.00 0.00 1.52 0.00 0.00 39.48 40.96 2k3y n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3y s ALA 9 N 5.21 3.29 -0.76 1.98 0.00 -1.26 -4.83 121.76 125.38 2k3y s ALA 9 Ca 0.30 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.57 2k3y s ALA 9 Cb 0.07 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2k3y s ALA 9 CO 0.15 -0.90 0.91 1.28 0.00 0.00 0.00 175.76 177.20 2k3y n LEU 10 N 0.13 0.02 -1.14 0.00 7.99 -1.26 -1.11 117.00 121.62 2k3y n LEU 10 Ca 0.04 0.40 -0.06 0.00 -0.01 0.00 0.00 56.01 56.37 2k3y n LEU 10 Cb 0.43 -0.40 -0.05 0.00 -0.11 0.00 0.00 43.42 43.28 2k3y n LEU 10 CO 0.57 -0.41 0.37 0.61 -1.51 0.00 0.00 177.39 177.02 2k3y n GLY 11 N -1.39 0.62 3.92 -0.72 0.00 -1.26 -4.35 105.19 102.02 2k3y n GLY 11 Ca -0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2k3y n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3y s GLY 12 N -1.00 1.81 0.44 -0.02 0.00 -0.26 -4.90 107.32 103.38 2k3y s GLY 12 Ca 0.01 -1.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.30 2k3y s GLY 12 CO -0.01 -0.46 0.86 0.50 0.00 0.00 0.00 173.10 173.98 2k3y s ARG 13 N -5.93 3.91 0.21 2.90 0.52 -1.26 -3.56 118.95 115.73 2k3y s ARG 13 Ca 0.76 0.73 0.03 0.00 -0.52 0.00 0.00 55.73 56.73 2k3y s ARG 13 Cb -0.03 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 2k3y s ARG 13 CO 0.54 -0.10 -0.01 0.14 0.02 0.00 0.00 175.30 175.89 2k3y s VAL 14 N -2.40 0.95 -0.09 3.52 -7.23 -0.05 -1.01 120.40 114.09 2k3y s VAL 14 Ca 0.55 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2k3y s VAL 14 Cb -0.10 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2k3y s VAL 14 CO 0.28 -0.41 0.09 -0.76 -0.31 0.00 0.00 175.10 173.99 2k3y s LEU 15 N -3.26 0.17 -0.07 1.32 1.43 0.10 -0.47 118.68 117.90 2k3y s LEU 15 Ca 0.26 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2k3y s LEU 15 Cb 0.05 -0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.14 2k3y s LEU 15 CO 0.07 -0.29 -0.09 0.00 0.23 0.00 0.00 176.35 176.27 2k3y s ALA 16 N 2.18 2.88 -0.19 4.21 0.00 -0.56 -1.21 121.76 129.08 2k3y s ALA 16 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2k3y s ALA 16 Cb -0.13 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.83 2k3y s ALA 16 CO -0.06 0.53 -0.18 0.12 0.00 0.00 0.00 175.76 176.17 2k3y s PHE 17 N -0.64 2.77 -0.08 0.00 5.36 -0.20 -0.71 117.98 124.47 2k3y s PHE 17 Ca 0.10 -1.69 0.21 0.00 -0.96 0.00 0.00 56.93 54.59 2k3y s PHE 17 Cb -0.11 -1.88 -0.29 0.00 -0.34 0.00 0.00 43.02 40.40 2k3y s PHE 17 CO 0.02 -0.80 0.46 0.72 -1.46 0.00 0.00 175.22 174.16 2k3y n HIS 18 N 4.61 0.11 0.00 10.12 8.25 -0.47 -4.69 115.22 133.16 2k3y n HIS 18 Ca -0.20 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2k3y n HIS 18 Cb 0.49 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2k3y n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3y n GLY 19 N 1.35 -0.03 0.19 -1.41 0.00 -1.26 -4.91 105.19 99.12 2k3y n GLY 19 Ca -0.09 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k3y n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y h PRO 20 N 0.00 0.16 -3.63 1.61 0.13 -1.98 -3.47 132.00 124.83 2k3y h PRO 20 Ca 0.00 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 2k3y h PRO 20 Cb 0.00 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2k3y h PRO 20 CO 0.00 0.52 -0.01 -1.17 -0.23 0.00 0.00 178.00 177.11 2k3y s LEU 21 N -8.26 0.50 0.12 1.56 0.20 -1.26 -4.90 118.68 106.63 2k3y s LEU 21 Ca -0.04 -1.22 0.05 0.00 0.69 0.00 0.00 54.13 53.62 2k3y s LEU 21 Cb 0.14 2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 47.88 2k3y s LEU 21 CO 0.75 -1.39 -0.13 -0.32 -0.29 0.00 0.00 176.35 174.97 2k3y s MET 22 N -3.08 0.98 0.02 1.98 -2.45 -1.26 -1.37 119.30 114.12 2k3y s MET 22 Ca 0.23 -1.21 -0.01 0.00 -1.25 0.00 0.00 55.69 53.45 2k3y s MET 22 Cb -0.02 -0.84 -0.02 0.00 1.25 0.00 0.00 34.83 35.21 2k3y s MET 22 CO 0.15 0.16 -0.01 0.71 1.05 0.00 0.00 175.02 177.07 2k3y s TYR 23 N -2.16 0.23 0.43 4.11 2.02 0.11 -4.75 117.35 117.34 2k3y s TYR 23 Ca 0.08 -0.47 -0.24 0.00 -0.37 0.00 0.00 57.07 56.07 2k3y s TYR 23 Cb -0.05 -0.17 -0.08 0.00 -0.40 0.00 0.00 41.96 41.26 2k3y s TYR 23 CO 0.02 -0.19 1.16 -1.21 -1.57 0.00 0.00 175.55 173.76 2k3y s GLU 24 N -1.39 3.89 0.08 -0.62 8.01 -1.26 -1.49 118.70 125.91 2k3y s GLU 24 Ca -0.15 1.78 -0.00 0.00 0.01 0.00 0.00 54.97 56.61 2k3y s GLU 24 Cb -0.09 -2.51 -0.04 0.00 -4.31 0.00 0.00 34.13 27.17 2k3y s GLU 24 CO -0.01 -0.44 -0.02 0.00 0.01 0.00 0.00 175.26 174.80 2k3y s ALA 25 N -1.51 0.71 -0.26 5.21 0.00 0.38 -1.40 121.76 124.89 2k3y s ALA 25 Ca 0.61 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2k3y s ALA 25 Cb -0.29 0.38 0.13 0.00 0.00 0.00 0.00 23.12 23.34 2k3y s ALA 25 CO 0.36 -0.36 0.32 0.21 0.00 0.00 0.00 175.76 176.28 2k3y s LYS 26 N -3.93 0.32 0.73 0.00 2.20 -0.81 -0.87 119.74 117.39 2k3y s LYS 26 Ca 0.12 0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 55.72 2k3y s LYS 26 Cb 0.07 -0.67 0.04 0.00 -1.51 0.00 0.00 37.83 35.76 2k3y s LYS 26 CO -0.06 -0.87 1.16 0.42 -0.36 0.00 0.00 175.35 175.65 2k3y s ILE 27 N 2.43 2.61 0.00 5.43 1.01 -1.23 -1.54 121.20 129.90 2k3y s ILE 27 Ca 0.10 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2k3y s ILE 27 Cb -0.14 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.56 2k3y s ILE 27 CO -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 174.94 174.51 2k3y n LEU 28 N -2.86 0.00 -4.04 2.97 -0.00 -0.81 -4.51 117.00 107.75 2k3y n LEU 28 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.93 2k3y n LEU 28 Cb 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.78 2k3y n LEU 28 CO 0.48 0.00 -0.45 -0.75 -0.00 0.00 0.00 177.39 176.67 2k3y s LYS 29 N -0.01 0.94 0.08 1.47 2.20 -1.21 -1.53 119.74 121.69 2k3y s LYS 29 Ca 0.00 -0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 2k3y s LYS 29 Cb 0.00 -0.89 -0.03 0.00 -1.51 0.00 0.00 37.83 35.39 2k3y s LYS 29 CO 0.00 0.20 0.05 0.96 -0.36 0.00 0.00 175.35 176.20 2k3y s ILE 30 N -0.12 0.17 0.04 5.43 -4.36 0.49 -0.32 121.20 122.52 2k3y s ILE 30 Ca 0.02 -1.71 -0.07 0.00 -0.26 0.00 0.00 60.65 58.63 2k3y s ILE 30 Cb -0.06 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 2k3y s ILE 30 CO -0.00 -0.76 0.13 0.86 0.24 0.00 0.00 174.94 175.41 2k3y s TRP 31 N -3.95 0.15 -0.08 1.37 -0.11 0.20 -1.09 118.94 115.43 2k3y s TRP 31 Ca 0.12 -0.42 -0.08 0.00 1.22 0.00 0.00 56.10 56.94 2k3y s TRP 31 Cb 0.07 -0.10 0.02 0.00 -1.50 0.00 0.00 33.47 31.96 2k3y s TRP 31 CO -0.06 -0.38 0.23 0.34 -4.62 0.00 0.00 176.95 172.46 2k3y s ASP 32 N -2.07 -0.23 0.08 5.86 -1.08 -1.26 -1.62 116.67 116.35 2k3y s ASP 32 Ca -0.06 0.42 0.14 0.00 -0.52 0.00 0.00 52.55 52.54 2k3y s ASP 32 Cb -0.01 0.46 0.62 0.00 -1.46 0.00 0.00 42.92 42.53 2k3y s ASP 32 CO -0.04 -0.11 1.45 -0.81 0.52 0.00 0.00 175.17 176.18 2k3y n PRO 33 N 2.81 0.05 0.10 4.34 -0.04 -1.25 -2.38 135.00 138.63 2k3y n PRO 33 Ca -0.14 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2k3y n PRO 33 Cb 0.58 -1.61 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 2k3y n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3y h SER 34 N 0.00 0.23 0.00 3.54 0.02 -1.94 -3.17 113.55 112.24 2k3y h SER 34 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2k3y h SER 34 Cb 0.22 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2k3y h SER 34 CO 0.00 0.52 -0.10 -1.20 -1.14 0.00 0.00 176.83 174.91 2k3y n SER 35 N -4.14 0.50 -4.00 3.07 7.64 -1.25 -5.03 113.62 110.43 2k3y n SER 35 Ca -0.01 -0.41 -0.26 0.00 1.01 0.00 0.00 58.87 59.19 2k3y n SER 35 Cb 0.38 0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 64.48 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3y n LYS 36 N -0.97 -2.87 -3.73 1.43 5.02 -1.00 -4.98 118.16 111.04 2k3y n LYS 36 Ca 0.00 0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2k3y n LYS 36 Cb 0.00 -4.36 -0.07 0.00 -0.02 0.00 0.00 35.03 30.58 2k3y n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3y s MET 37 N -6.66 0.81 0.51 1.97 -1.94 -1.26 -4.68 119.30 108.05 2k3y s MET 37 Ca 0.02 -0.42 0.08 0.00 -1.71 0.00 0.00 55.69 53.66 2k3y s MET 37 Cb -0.01 0.36 0.04 0.00 2.01 0.00 0.00 34.83 37.23 2k3y s MET 37 CO 0.90 -0.26 0.58 1.52 -0.01 0.00 0.00 175.02 177.76 2k3y s TYR 38 N -2.32 2.00 0.04 -0.03 1.13 -1.25 -4.01 117.35 112.90 2k3y s TYR 38 Ca -0.06 -0.64 -0.03 0.00 -1.41 0.00 0.00 57.07 54.93 2k3y s TYR 38 Cb -0.02 -2.17 -0.02 0.00 -1.10 0.00 0.00 41.96 38.65 2k3y s TYR 38 CO -0.02 -0.66 0.02 0.95 -2.51 0.00 0.00 175.55 173.34 2k3y s THR 39 N -2.59 0.16 0.08 -3.49 -4.23 -0.25 -4.05 115.64 101.27 2k3y s THR 39 Ca 0.52 -1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 2k3y s THR 39 Cb -0.05 -1.01 0.04 0.00 1.34 0.00 0.00 72.50 72.82 2k3y s THR 39 CO 0.32 -0.73 0.43 -0.44 -0.54 0.00 0.00 174.62 173.66 2k3y s SER 40 N -2.31 -0.30 0.10 3.99 0.01 -1.26 -0.38 113.70 113.56 2k3y s SER 40 Ca -0.02 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 2k3y s SER 40 Cb 0.01 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 2k3y s SER 40 CO -0.06 -0.75 0.05 0.27 0.41 0.00 0.00 173.24 173.17 2k3y s ILE 41 N -2.96 0.15 -0.02 1.44 -4.36 -0.58 -1.06 121.20 113.82 2k3y s ILE 41 Ca -0.02 -1.77 -0.03 0.00 -0.26 0.00 0.00 60.65 58.56 2k3y s ILE 41 Cb 0.00 -1.77 -0.13 0.00 1.25 0.00 0.00 42.46 41.80 2k3y s ILE 41 CO -0.06 -0.67 2.86 -0.81 0.24 0.00 0.00 174.94 176.51 2k3y n PRO 42 N -0.02 1.57 0.17 0.37 -0.04 -0.99 -4.52 135.00 131.54 2k3y n PRO 42 Ca -0.10 -0.61 -0.14 0.00 -0.04 0.00 0.00 63.50 62.61 2k3y n PRO 42 Cb 0.62 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2k3y n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3y h ASN 43 N 2.10 -0.64 -5.33 3.54 -1.24 -1.88 -3.46 115.58 108.66 2k3y h ASN 43 Ca 0.11 0.06 0.17 0.00 0.71 0.00 0.00 56.30 57.35 2k3y h ASN 43 Cb 1.26 0.22 -0.07 0.00 0.73 0.00 0.00 38.32 40.46 2k3y h ASN 43 CO 0.16 -0.35 0.49 -0.62 -1.29 0.00 0.00 177.43 175.81 2k3y s ASP 44 N -4.76 -0.15 0.61 1.15 2.15 -1.26 -5.04 116.67 109.37 2k3y s ASP 44 Ca -0.16 -0.46 -0.18 0.00 0.43 0.00 0.00 52.55 52.18 2k3y s ASP 44 Cb 0.06 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.16 2k3y s ASP 44 CO 0.64 -0.94 1.21 -0.54 -0.17 0.00 0.00 175.17 175.38 2k3y s LYS 45 N -3.15 2.89 1.26 4.34 1.02 -1.26 -2.99 119.74 121.86 2k3y s LYS 45 Ca 0.13 1.84 -0.20 0.00 0.02 0.00 0.00 55.97 57.76 2k3y s LYS 45 Cb -0.02 -1.92 0.31 0.00 -0.52 0.00 0.00 37.83 35.69 2k3y s LYS 45 CO 0.03 -1.27 1.06 -2.14 -0.92 0.00 0.00 175.35 172.10 2k3y s PRO 46 N -3.38 -1.71 0.57 -1.68 0.02 -1.25 -4.91 135.00 122.65 2k3y s PRO 46 Ca 0.78 0.01 0.29 0.00 0.02 0.00 0.00 61.00 62.10 2k3y s PRO 46 Cb -0.31 -1.53 1.46 0.00 0.02 0.00 0.00 34.50 34.15 2k3y s PRO 46 CO 0.34 -4.05 1.90 0.78 -0.33 0.00 0.00 177.00 175.64 2k3y h GLY 47 N -2.83 0.00 -5.06 0.52 0.00 -1.92 -3.31 103.07 90.48 2k3y h GLY 47 Ca -0.45 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.67 2k3y h GLY 47 CO 0.33 0.00 -0.49 0.61 0.00 0.00 0.00 176.54 176.99 2k3y n GLY 48 N -1.58 1.75 2.73 4.60 0.00 -1.26 -4.74 105.19 106.69 2k3y n GLY 48 Ca 0.11 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 2k3y n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 49 N -1.00 -0.79 -3.34 1.61 7.64 -1.25 -5.13 113.62 111.37 2k3y n SER 49 Ca -0.08 -2.74 -0.24 0.00 1.01 0.00 0.00 58.87 56.82 2k3y n SER 49 Cb 0.85 1.67 0.20 0.00 -1.01 0.00 0.00 64.21 65.92 2k3y n SER 49 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3y n SER 50 N -1.83 -1.83 -4.73 6.43 7.64 -1.26 -4.51 113.62 113.52 2k3y n SER 50 Ca 0.04 -1.04 -0.35 0.00 1.01 0.00 0.00 58.87 58.54 2k3y n SER 50 Cb 0.50 -0.80 0.08 0.00 -1.01 0.00 0.00 64.21 62.98 2k3y n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3y s GLN 51 N -4.97 2.38 0.59 1.43 -2.07 -1.26 -3.97 119.66 111.79 2k3y s GLN 51 Ca 0.56 1.78 -0.18 0.00 -1.82 0.00 0.00 55.36 55.70 2k3y s GLN 51 Cb -0.05 -1.86 -0.04 0.00 -1.09 0.00 0.00 33.01 29.97 2k3y s GLN 51 CO 0.43 -1.65 1.12 0.00 -1.32 0.00 0.00 175.29 173.87 2k3y s ALA 52 N -1.88 2.62 0.52 2.60 0.00 -1.16 -4.87 121.76 119.59 2k3y s ALA 52 Ca 0.75 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 2k3y s ALA 52 Cb -0.30 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 2k3y s ALA 52 CO 0.42 -0.95 0.83 0.99 0.00 0.00 0.00 175.76 177.05 2k3y s THR 53 N -2.01 4.51 0.60 0.00 2.01 -1.26 -4.20 115.64 115.29 2k3y s THR 53 Ca 0.70 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 2k3y s THR 53 Cb -0.22 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 2k3y s THR 53 CO 0.33 -0.74 0.51 0.29 -0.69 0.00 0.00 174.62 174.31 2k3y n LYS 54 N -2.38 0.46 -0.09 4.92 4.01 -1.26 -2.34 118.16 121.48 2k3y n LYS 54 Ca 0.02 0.19 -0.02 0.00 -0.51 0.00 0.00 58.31 57.98 2k3y n LYS 54 Cb 0.56 -1.71 -0.01 0.00 -0.51 0.00 0.00 35.03 33.35 2k3y n LYS 54 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2k3y n GLU 55 N -0.14 0.00 -2.39 1.97 2.13 -1.26 -4.75 120.64 116.20 2k3y n GLU 55 Ca 0.11 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.52 2k3y n GLU 55 Cb 0.48 -0.09 -0.04 0.00 0.27 0.00 0.00 31.44 32.07 2k3y n GLU 55 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2k3y s ILE 56 N 0.42 3.48 0.38 6.31 1.01 -0.22 -4.98 121.20 127.60 2k3y s ILE 56 Ca 0.08 1.33 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 2k3y s ILE 56 Cb -0.07 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 2k3y s ILE 56 CO 0.03 0.25 1.28 -0.54 0.00 0.00 0.00 174.94 175.97 2k3y s LYS 57 N -0.73 4.13 0.27 2.79 -0.14 -1.26 -4.14 119.74 120.65 2k3y s LYS 57 Ca 0.50 2.13 -0.29 0.00 -1.36 0.00 0.00 55.97 56.94 2k3y s LYS 57 Cb -0.33 -2.87 -0.09 0.00 -1.68 0.00 0.00 37.83 32.86 2k3y s LYS 57 CO 0.39 -0.35 1.18 -1.25 -0.76 0.00 0.00 175.35 174.57 2k3y s PRO 58 N -2.07 4.53 0.09 -1.68 0.04 -1.26 -4.91 135.00 129.73 2k3y s PRO 58 Ca 0.54 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.51 2k3y s PRO 58 Cb -0.38 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2k3y s PRO 58 CO 0.49 0.03 -0.04 -0.65 0.04 0.00 0.00 177.00 176.86 2k3y s GLN 59 N -1.17 0.78 0.07 4.56 -1.52 -1.26 -4.97 119.66 116.15 2k3y s GLN 59 Ca 0.48 -1.31 -0.31 0.00 -1.95 0.00 0.00 55.36 52.27 2k3y s GLN 59 Cb -0.34 -0.05 -0.07 0.00 -0.22 0.00 0.00 33.01 32.33 2k3y s GLN 59 CO 0.43 -0.07 1.45 0.15 -0.25 0.00 0.00 175.29 177.00 2k3y s LYS 60 N -3.88 4.28 0.46 2.91 -0.14 -1.26 -3.93 119.74 118.17 2k3y s LYS 60 Ca 0.12 2.10 -0.23 0.00 -1.36 0.00 0.00 55.97 56.60 2k3y s LYS 60 Cb 0.06 -3.42 -0.08 0.00 -1.68 0.00 0.00 37.83 32.72 2k3y s LYS 60 CO -0.06 -0.55 1.13 -1.17 -0.76 0.00 0.00 175.35 173.94 2k3y s LEU 61 N 1.83 4.01 0.00 3.17 0.20 -1.26 -4.51 118.68 122.12 2k3y s LEU 61 Ca 0.66 2.21 0.00 0.00 0.69 0.00 0.00 54.13 57.70 2k3y s LEU 61 Cb -0.36 -4.28 0.00 0.00 -0.43 0.00 0.00 46.19 41.12 2k3y s LEU 61 CO 0.29 -0.84 0.00 0.61 -0.29 0.00 0.00 176.35 176.12 2k3y n GLY 62 N 0.36 1.71 0.08 7.98 0.00 -1.26 -5.02 105.19 109.04 2k3y n GLY 62 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2k3y n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3y h GLU 63 N 0.00 0.11 0.00 1.61 4.39 -2.01 -3.40 114.58 115.28 2k3y h GLU 63 Ca 0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2k3y h GLU 63 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2k3y h GLU 63 CO 0.00 1.03 -0.03 -3.47 -1.16 0.00 0.00 179.01 175.38 2k3y n ASP 64 N -3.39 0.00 -4.22 1.42 2.03 -1.26 -5.13 116.55 106.00 2k3y n ASP 64 Ca -0.06 -1.05 -0.22 0.00 0.52 0.00 0.00 54.79 53.97 2k3y n ASP 64 Cb 0.99 -0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 41.29 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k3y s GLU 65 N 0.00 1.73 -0.30 -0.67 8.01 -1.26 -5.08 118.70 121.13 2k3y s GLU 65 Ca 0.00 -2.00 -0.14 0.00 0.01 0.00 0.00 54.97 52.84 2k3y s GLU 65 Cb 0.00 -0.56 0.14 0.00 -4.31 0.00 0.00 34.13 29.40 2k3y s GLU 65 CO 0.00 -0.37 0.84 -1.12 0.01 0.00 0.00 175.26 174.62 2k3y s SER 66 N -3.50 -0.80 -0.09 -0.19 0.01 -1.26 -4.31 113.70 103.57 2k3y s SER 66 Ca 0.31 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.75 2k3y s SER 66 Cb 0.05 1.76 0.01 0.00 0.21 0.00 0.00 66.02 68.05 2k3y s SER 66 CO 0.15 -0.17 -0.19 -0.51 0.41 0.00 0.00 173.24 172.94 2k3y s ILE 67 N 2.31 1.69 0.52 1.44 2.07 -1.26 -4.98 121.20 122.99 2k3y s ILE 67 Ca -0.06 -0.80 -0.21 0.00 -1.41 0.00 0.00 60.65 58.18 2k3y s ILE 67 Cb -0.07 -1.49 -0.06 0.00 0.13 0.00 0.00 42.46 40.96 2k3y s ILE 67 CO -0.18 0.48 1.15 -2.16 -1.91 0.00 0.00 174.94 172.32 2k3y s PRO 68 N 0.54 3.46 0.65 3.50 0.04 -1.26 -4.83 135.00 137.11 2k3y s PRO 68 Ca -0.16 1.68 0.35 0.00 0.04 0.00 0.00 61.00 62.91 2k3y s PRO 68 Cb -0.17 -2.13 1.93 0.00 0.04 0.00 0.00 34.50 34.17 2k3y s PRO 68 CO 0.06 -0.77 2.12 0.93 0.04 0.00 0.00 177.00 179.37 2k3y h GLU 69 N 1.45 0.00 -0.68 4.56 5.08 -1.99 -0.25 114.58 122.76 2k3y h GLU 69 Ca -0.50 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.00 2k3y h GLU 69 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2k3y h GLU 69 CO 0.58 0.00 0.46 0.93 -1.00 0.00 0.00 179.01 179.98 2k3y h GLU 70 N 0.00 0.32 0.00 2.33 3.07 -2.02 -3.26 114.58 115.02 2k3y h GLU 70 Ca 0.02 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k3y h GLU 70 Cb 0.41 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2k3y h GLU 70 CO -0.00 0.21 -0.71 0.44 -1.40 0.00 0.00 179.01 177.56 2k3y n ILE 71 N -4.46 0.00 -0.29 3.13 -5.35 -0.14 -4.52 119.36 107.74 2k3y n ILE 71 Ca 0.12 -0.20 0.04 0.00 -0.27 0.00 0.00 62.75 62.44 2k3y n ILE 71 Cb 0.51 0.66 0.18 0.00 -1.74 0.00 0.00 39.64 39.26 2k3y n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3y h ILE 72 N 0.00 0.84 -0.11 7.28 1.08 -1.51 -2.89 117.51 122.21 2k3y h ILE 72 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2k3y h ILE 72 Cb 0.08 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2k3y h ILE 72 CO 0.00 0.13 0.00 -0.46 -0.69 0.00 0.00 178.15 177.13 2k3y n ASN 73 N -4.79 0.74 -1.35 1.72 0.23 -1.25 -3.95 115.26 106.61 2k3y n ASN 73 Ca 0.15 -2.02 -0.02 0.00 -0.53 0.00 0.00 54.58 52.16 2k3y n ASN 73 Cb 0.33 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2k3y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3y n GLY 74 N 0.59 1.90 3.75 4.83 0.00 -1.09 -4.77 105.19 110.40 2k3y n GLY 74 Ca 0.04 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2k3y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3y n LYS 75 N -0.11 2.64 -4.09 1.61 4.76 -1.26 -4.06 118.16 117.65 2k3y n LYS 75 Ca -0.02 0.93 -0.12 0.00 -2.87 0.00 0.00 58.31 56.24 2k3y n LYS 75 Cb 0.12 -2.68 -0.11 0.00 -1.84 0.00 0.00 35.03 30.52 2k3y n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3y s SER 76 N 0.19 0.89 -0.13 4.39 0.01 -0.64 -4.39 113.70 114.02 2k3y s SER 76 Ca 0.59 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 2k3y s SER 76 Cb -0.50 0.06 0.04 0.00 0.21 0.00 0.00 66.02 65.84 2k3y s SER 76 CO 0.56 -0.30 0.04 -0.36 0.41 0.00 0.00 173.24 173.59 2k3y s PHE 77 N -2.13 0.60 -0.11 2.43 0.08 -0.90 -0.62 117.98 117.34 2k3y s PHE 77 Ca -0.03 -0.36 -0.28 0.00 0.12 0.00 0.00 56.93 56.38 2k3y s PHE 77 Cb -0.05 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 2k3y s PHE 77 CO -0.02 -0.44 0.91 0.12 -0.10 0.00 0.00 175.22 175.70 2k3y s PHE 78 N 2.00 3.51 0.15 0.36 5.36 0.56 -1.64 117.98 128.27 2k3y s PHE 78 Ca 0.03 1.46 -0.01 0.00 -0.96 0.00 0.00 56.93 57.45 2k3y s PHE 78 Cb -0.14 -3.08 -0.04 0.00 -0.34 0.00 0.00 43.02 39.41 2k3y s PHE 78 CO -0.07 -0.16 0.06 0.96 -1.46 0.00 0.00 175.22 174.55 2k3y s ILE 79 N 1.78 0.15 -0.13 3.12 -4.36 -0.56 -1.92 121.20 119.27 2k3y s ILE 79 Ca 0.44 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 2k3y s ILE 79 Cb -0.18 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.41 2k3y s ILE 79 CO 0.18 -0.40 -0.22 -2.28 0.24 0.00 0.00 174.94 172.46 2k3y s HIS 80 N -4.02 2.64 -0.08 1.37 2.46 -0.59 -2.80 115.29 114.26 2k3y s HIS 80 Ca 0.26 -1.21 -0.30 0.00 0.47 0.00 0.00 55.06 54.29 2k3y s HIS 80 Cb 0.07 -1.78 -0.02 0.00 -0.13 0.00 0.00 32.58 30.72 2k3y s HIS 80 CO 0.03 -0.53 1.05 0.71 -2.47 0.00 0.00 174.74 173.54 2k3y s TYR 81 N 0.63 3.46 0.56 3.88 1.51 -1.25 -1.92 117.35 124.22 2k3y s TYR 81 Ca -0.11 1.52 -0.19 0.00 -1.01 0.00 0.00 57.07 57.27 2k3y s TYR 81 Cb -0.16 -3.24 -0.05 0.00 -0.11 0.00 0.00 41.96 38.40 2k3y s TYR 81 CO 0.02 -0.45 1.18 -0.65 -1.11 0.00 0.00 175.55 174.53 2k3y s GLN 82 N 1.95 3.20 -0.03 -0.62 -1.52 -0.49 -2.97 119.66 119.19 2k3y s GLN 82 Ca 0.50 1.74 0.00 0.00 -1.95 0.00 0.00 55.36 55.66 2k3y s GLN 82 Cb -0.20 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 2k3y s GLN 82 CO 0.20 -1.00 0.00 0.41 -0.25 0.00 0.00 175.29 174.65 2k3y n GLY 83 N 0.36 0.17 3.40 3.09 0.00 -1.26 -4.76 105.19 106.20 2k3y n GLY 83 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2k3y n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3y s TRP 84 N -1.32 1.83 1.14 1.61 0.52 -1.16 -5.15 118.94 116.41 2k3y s TRP 84 Ca 0.00 -0.83 -0.12 0.00 0.02 0.00 0.00 56.10 55.16 2k3y s TRP 84 Cb 0.00 -1.09 0.27 0.00 -1.15 0.00 0.00 33.47 31.50 2k3y s TRP 84 CO 0.00 0.11 1.04 0.15 0.02 0.00 0.00 176.95 178.27 2k3y s LYS 85 N -3.81 -0.73 0.60 4.98 1.02 -1.26 -4.89 119.74 115.65 2k3y s LYS 85 Ca 0.31 0.90 0.36 0.00 0.02 0.00 0.00 55.97 57.56 2k3y s LYS 85 Cb 0.06 -1.57 1.89 0.00 -0.52 0.00 0.00 37.83 37.69 2k3y s LYS 85 CO 0.12 -3.62 2.20 0.77 -0.92 0.00 0.00 175.35 173.90 2k3y h SER 86 N -2.55 0.00 0.06 2.83 0.02 -1.95 -2.71 113.55 109.25 2k3y h SER 86 Ca -0.60 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2k3y h SER 86 Cb 1.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 2k3y h SER 86 CO 0.50 0.03 -0.02 0.28 -1.14 0.00 0.00 176.83 176.47 2k3y h SER 87 N 0.00 0.00 -0.18 3.07 0.02 -1.98 -1.93 113.55 112.55 2k3y h SER 87 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3y h SER 87 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2k3y h SER 87 CO 0.00 0.02 0.00 0.79 -1.14 0.00 0.00 176.83 176.51 2k3y n TRP 88 N -3.91 0.47 -2.45 3.45 7.02 -1.02 -4.55 117.44 116.44 2k3y n TRP 88 Ca -0.03 -0.18 -0.38 0.00 -1.02 0.00 0.00 57.50 55.89 2k3y n TRP 88 Cb 0.11 -0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 2k3y n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3y s ASP 89 N -0.50 6.25 0.17 -0.99 1.01 -0.73 -3.82 116.67 118.07 2k3y s ASP 89 Ca 0.15 -1.51 -0.08 0.00 0.71 0.00 0.00 52.55 51.82 2k3y s ASP 89 Cb 0.10 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 2k3y s ASP 89 CO 0.06 -1.74 0.26 -0.70 0.21 0.00 0.00 175.17 173.26 2k3y s GLU 90 N 5.27 1.17 0.12 8.23 2.56 -1.12 -4.98 118.70 129.95 2k3y s GLU 90 Ca 0.53 -1.26 0.04 0.00 0.00 0.00 0.00 54.97 54.28 2k3y s GLU 90 Cb -0.00 0.36 -0.04 0.00 2.00 0.00 0.00 34.13 36.45 2k3y s GLU 90 CO -0.04 -0.42 0.14 -1.58 -0.56 0.00 0.00 175.26 172.80 2k3y s TRP 91 N -4.00 3.24 0.12 5.30 0.52 -1.26 -1.50 118.94 121.36 2k3y s TRP 91 Ca 0.21 0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.43 2k3y s TRP 91 Cb 0.04 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2k3y s TRP 91 CO 0.02 0.53 -0.12 0.14 0.02 0.00 0.00 176.95 177.54 2k3y s VAL 92 N -1.61 1.13 0.56 4.03 -7.23 -0.65 -4.94 120.40 111.69 2k3y s VAL 92 Ca 0.31 -1.74 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2k3y s VAL 92 Cb -0.11 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.35 2k3y s VAL 92 CO 0.24 -0.54 0.79 -0.83 -0.31 0.00 0.00 175.10 174.46 2k3y s GLY 93 N -2.57 1.77 0.54 2.32 0.00 -1.26 -2.12 107.32 105.99 2k3y s GLY 93 Ca 0.09 -1.22 0.33 0.00 0.00 0.00 0.00 44.72 43.91 2k3y s GLY 93 CO 0.01 -0.94 2.00 -1.82 0.00 0.00 0.00 173.10 172.35 2k3y h TYR 94 N 0.03 0.00 0.00 1.90 5.03 -1.78 -0.69 116.97 121.45 2k3y h TYR 94 Ca -0.43 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.88 2k3y h TYR 94 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.57 2k3y h TYR 94 CO 0.38 0.00 0.16 0.38 -1.32 0.00 0.00 178.16 177.76 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 2.03 -1.96 -3.28 116.42 111.11 2k3y h ASP 95 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k3y h ASP 95 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2k3y h ASP 95 CO 0.00 0.00 -0.62 0.54 -1.03 0.00 0.00 179.24 178.13 2k3y n ARG 96 N -2.94 1.12 -3.98 4.15 1.74 -0.36 -4.97 116.66 111.42 2k3y n ARG 96 Ca -0.02 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 2k3y n ARG 96 Cb 0.21 -0.81 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 2k3y n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3y s ILE 97 N -1.62 5.07 0.10 0.55 2.07 -0.66 -1.04 121.20 125.68 2k3y s ILE 97 Ca 0.00 -0.69 -0.08 0.00 -1.41 0.00 0.00 60.65 58.47 2k3y s ILE 97 Cb 0.00 -3.54 -0.00 0.00 0.13 0.00 0.00 42.46 39.04 2k3y s ILE 97 CO 0.00 0.00 0.20 -0.13 -1.91 0.00 0.00 174.94 173.10 2k3y s ARG 98 N -2.88 0.89 0.91 3.50 0.52 -0.35 -4.46 118.95 117.08 2k3y s ARG 98 Ca 0.33 -1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 2k3y s ARG 98 Cb -0.12 0.34 0.13 0.00 0.52 0.00 0.00 34.95 35.83 2k3y s ARG 98 CO 0.26 -0.29 1.12 0.00 0.02 0.00 0.00 175.30 176.41 2k3y s ALA 99 N -3.88 1.69 -0.47 2.13 0.00 -1.26 0.01 121.76 119.98 2k3y s ALA 99 Ca 0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 2k3y s ALA 99 Cb 0.05 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2k3y s ALA 99 CO -0.09 -2.29 1.27 -0.47 0.00 0.00 0.00 175.76 174.17 2k3y s TYR 100 N -3.18 2.60 0.18 0.00 6.14 -0.18 -4.52 117.35 118.40 2k3y s TYR 100 Ca 0.63 0.65 -0.19 0.00 0.64 0.00 0.00 57.07 58.81 2k3y s TYR 100 Cb -0.16 -4.40 0.04 0.00 0.42 0.00 0.00 41.96 37.86 2k3y s TYR 100 CO 0.54 -1.62 0.53 0.54 0.64 0.00 0.00 175.55 176.18 2k3y s ASN 101 N 3.22 -0.32 0.39 4.32 2.20 -1.26 -4.47 114.94 119.03 2k3y s ASN 101 Ca 0.53 -0.37 0.14 0.00 -0.94 0.00 0.00 52.86 52.21 2k3y s ASN 101 Cb -0.10 0.57 0.97 0.00 -2.00 0.00 0.00 41.25 40.69 2k3y s ASN 101 CO 0.31 -1.02 1.87 -0.08 -2.94 0.00 0.00 177.10 175.24 2k3y h GLU 102 N 2.17 0.51 -0.53 3.55 4.81 -1.95 0.25 114.58 123.39 2k3y h GLU 102 Ca -0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 2k3y h GLU 102 Cb 1.27 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2k3y h GLU 102 CO 0.38 0.34 0.27 1.49 -0.73 0.00 0.00 179.01 180.76 2k3y h GLU 103 N 0.53 0.76 0.00 1.92 4.81 -1.98 0.64 114.58 121.27 2k3y h GLU 103 Ca 0.45 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2k3y h GLU 103 Cb 0.93 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2k3y h GLU 103 CO -0.19 0.62 -0.34 -0.91 -0.73 0.00 0.00 179.01 177.46 2k3y h ASN 104 N 0.72 0.00 0.02 1.04 2.35 -1.32 -1.56 115.58 116.83 2k3y h ASN 104 Ca 0.18 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.80 2k3y h ASN 104 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2k3y h ASN 104 CO -0.02 0.34 -0.42 0.40 -1.65 0.00 0.00 177.43 176.08 2k3y h ILE 105 N 0.00 1.31 -0.69 2.81 1.08 -0.77 0.17 117.51 121.41 2k3y h ILE 105 Ca -0.00 -1.59 -0.04 0.00 -0.39 0.00 0.00 64.86 62.84 2k3y h ILE 105 Cb 1.19 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 2k3y h ILE 105 CO 0.04 0.49 0.27 0.00 -0.69 0.00 0.00 178.15 178.27 2k3y h ALA 106 N 1.14 0.90 -0.38 1.87 0.00 -0.23 0.20 119.26 122.76 2k3y h ALA 106 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3y h ALA 106 Cb 0.91 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k3y h ALA 106 CO 0.08 0.53 0.25 1.98 0.00 0.00 0.00 179.25 182.09 2k3y h MET 107 N 0.99 0.49 -0.39 0.00 1.85 -1.11 -1.58 114.93 115.18 2k3y h MET 107 Ca 0.23 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.25 2k3y h MET 107 Cb 0.23 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 2k3y h MET 107 CO -0.02 0.33 0.10 -0.22 -0.40 0.00 0.00 176.91 176.70 2k3y h LYS 108 N 0.51 0.63 -0.16 0.39 3.64 0.13 -0.74 116.57 120.98 2k3y h LYS 108 Ca 0.14 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2k3y h LYS 108 Cb -0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2k3y h LYS 108 CO -0.04 0.65 -0.51 1.57 -2.27 0.00 0.00 179.45 178.85 2k3y h LYS 109 N 0.49 0.63 -0.85 1.90 2.10 -0.58 0.22 116.57 120.47 2k3y h LYS 109 Ca 0.12 -0.46 0.18 0.00 -2.00 0.00 0.00 60.65 58.49 2k3y h LYS 109 Cb 0.30 0.08 -0.11 0.00 -0.90 0.00 0.00 32.23 31.60 2k3y h LYS 109 CO 0.00 1.08 0.40 -0.09 -2.00 0.00 0.00 179.45 178.84 2k3y h ARG 110 N 0.29 0.49 0.03 0.07 1.12 -1.15 -0.07 114.38 115.16 2k3y h ARG 110 Ca -0.02 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.75 2k3y h ARG 110 Cb 1.13 -0.11 0.01 0.00 -0.01 0.00 0.00 29.97 30.99 2k3y h ARG 110 CO 0.11 0.32 -0.29 -0.07 -3.11 0.00 0.00 179.97 176.93 2k3y h LEU 111 N 0.50 0.20 -1.89 3.80 3.38 -0.76 -2.61 115.31 117.94 2k3y h LEU 111 Ca 0.49 -0.89 0.22 0.00 0.09 0.00 0.00 57.88 57.79 2k3y h LEU 111 Cb 0.81 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2k3y h LEU 111 CO -0.44 1.07 0.65 0.00 0.09 0.00 0.00 178.44 179.82 2k3y h ALA 112 N 0.13 2.59 0.10 1.53 0.00 -0.38 0.07 119.26 123.30 2k3y h ALA 112 Ca -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3y h ALA 112 Cb 1.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k3y h ALA 112 CO 0.06 -1.04 -0.05 -0.97 0.00 0.00 0.00 179.25 177.25 2k3y h ASN 113 N 0.00 -0.11 1.66 0.00 -1.24 -0.99 -3.40 115.58 111.49 2k3y h ASN 113 Ca 0.35 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 57.13 2k3y h ASN 113 Cb 1.66 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.73 2k3y h ASN 113 CO -0.00 0.44 -0.33 1.05 -1.29 0.00 0.00 177.43 177.30 2k3y h GLU 114 N -1.01 0.00 -6.70 6.67 4.11 -0.96 -3.47 114.58 113.23 2k3y h GLU 114 Ca -0.01 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.89 2k3y h GLU 114 Cb 0.27 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.59 2k3y h GLU 114 CO 0.02 0.33 0.99 0.00 0.07 0.00 0.00 179.01 180.42 2k3y n ALA 115 N -2.18 2.81 -1.97 1.06 0.00 -0.06 -4.86 120.51 115.30 2k3y n ALA 115 Ca 0.03 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 2k3y n ALA 115 Cb 0.66 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 2k3y n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3y n GLY 116 N 3.50 0.42 0.31 0.00 0.00 -1.26 -4.43 105.19 103.73 2k3y n GLY 116 Ca 0.14 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.34 2k3y n GLY 116 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k3y h SER 117 N 0.06 0.00 0.60 1.61 0.02 -1.89 -1.07 113.55 112.88 2k3y h SER 117 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2k3y h SER 117 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2k3y h SER 117 CO -0.23 0.02 0.00 0.35 -1.14 0.00 0.00 176.83 175.83 2k3y n THR 118 N -3.36 0.57 -0.62 -2.27 -2.24 -1.26 -4.87 114.28 100.23 2k3y n THR 118 Ca -0.02 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2k3y n THR 118 Cb 0.13 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3y n GLY 119 N 0.52 0.77 3.38 3.38 0.00 -0.41 -5.03 105.19 107.80 2k3y n GLY 119 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2k3y n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 120 N -2.64 1.11 0.34 1.61 0.01 -1.24 -5.13 113.70 107.76 2k3y s SER 120 Ca 0.00 -1.57 -0.29 0.00 1.31 0.00 0.00 55.95 55.41 2k3y s SER 120 Cb 0.00 0.59 -0.11 0.00 0.21 0.00 0.00 66.02 66.71 2k3y s SER 120 CO 0.00 -1.16 1.46 0.00 0.41 0.00 0.00 173.24 173.95 2k3y s ALA 121 N -3.35 3.59 -1.40 1.44 0.00 -1.26 -4.44 121.76 116.33 2k3y s ALA 121 Ca 0.35 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 2k3y s ALA 121 Cb 0.01 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2k3y s ALA 121 CO 0.22 -0.92 2.54 -0.35 0.00 0.00 0.00 175.76 177.25 2k3y n PRO 122 N 0.95 3.03 0.28 0.00 -0.04 -1.26 -4.79 135.00 133.17 2k3y n PRO 122 Ca 0.02 -2.18 0.18 0.00 -0.04 0.00 0.00 63.50 61.48 2k3y n PRO 122 Cb 0.40 -2.90 0.89 0.00 -0.04 0.00 0.00 33.50 31.84 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y h ALA 123 N 5.73 1.46 -0.95 0.55 0.00 -1.96 -0.26 119.26 123.84 2k3y h ALA 123 Ca 0.69 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.70 2k3y h ALA 123 Cb 0.40 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2k3y h ALA 123 CO 1.78 -0.31 0.61 1.15 0.00 0.00 0.00 179.25 182.49 2k3y h THR 124 N 0.00 0.97 0.00 0.00 2.02 -2.03 -3.46 112.91 110.40 2k3y h THR 124 Ca 0.04 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2k3y h THR 124 Cb 0.56 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2k3y h THR 124 CO -0.00 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.68 2k3y n GLY 125 N -1.38 4.21 3.59 2.16 0.00 -0.11 -5.01 105.19 108.65 2k3y n GLY 125 Ca 0.17 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 2k3y n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3y s GLY 126 N 0.00 -0.47 0.08 -0.02 0.00 -1.25 -4.91 107.32 100.75 2k3y s GLY 126 Ca 0.00 1.88 -0.01 0.00 0.00 0.00 0.00 44.72 46.58 2k3y s GLY 126 CO 0.00 1.41 0.01 0.54 0.00 0.00 0.00 173.10 175.07 2k3y s VAL 127 N -0.34 0.18 -0.31 1.40 0.11 -1.26 -5.03 120.40 115.15 2k3y s VAL 127 Ca -0.04 -1.81 -0.01 0.00 -2.93 0.00 0.00 61.98 57.19 2k3y s VAL 127 Cb -0.03 -1.69 0.19 0.00 -1.53 0.00 0.00 36.38 33.32 2k3y s VAL 127 CO 0.03 -0.80 0.80 -0.75 -3.33 0.00 0.00 175.10 171.05 2k3y s LYS 129 N -3.96 0.41 -0.00 1.54 2.36 -1.26 -4.90 119.74 113.93 2k3y s LYS 129 Ca 0.13 0.26 0.01 0.00 -2.55 0.00 0.00 55.97 53.81 2k3y s LYS 129 Cb 0.08 0.15 -0.01 0.00 -1.05 0.00 0.00 37.83 36.99 2k3y s LYS 129 CO -0.06 -0.72 0.02 -0.35 1.55 0.00 0.00 175.35 175.80 2k3y n PRO 130 N 5.04 1.07 0.02 4.03 -0.04 -1.26 -4.84 135.00 139.02 2k3y n PRO 130 Ca 0.07 -0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2k3y n PRO 130 Cb 0.56 -0.95 0.31 0.00 -0.04 0.00 0.00 33.50 33.39 2k3y n PRO 130 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2k3y n HIS 131 N -1.45 0.14 -3.61 0.54 1.44 -1.26 -4.68 115.22 106.34 2k3y n HIS 131 Ca -0.00 0.06 -0.16 0.00 -2.01 0.00 0.00 57.72 55.61 2k3y n HIS 131 Cb 0.02 -0.59 -0.07 0.00 0.12 0.00 0.00 29.99 29.48 2k3y n HIS 131 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2k3y s ARG 132 N -3.06 0.93 0.13 -1.40 1.70 -1.26 -5.07 118.95 110.91 2k3y s ARG 132 Ca 0.06 0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 55.18 2k3y s ARG 132 Cb 0.08 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 2k3y s ARG 132 CO 0.26 -0.29 1.75 -0.92 -1.08 0.00 0.00 175.30 175.02 2k3y h TYR 133 N 3.26 0.36 0.00 5.89 3.20 -1.96 -3.50 116.97 124.22 2k3y h TYR 133 Ca -0.28 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 2k3y h TYR 133 Cb 1.16 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2k3y h TYR 133 CO 0.43 0.27 0.00 0.54 -1.64 0.00 0.00 178.16 177.76