#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 0.03 0.00 2.03 0.11 -1.26 -5.04 120.40 116.27 2k3y s VAL 2 Ca 0.00 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2k3y s VAL 2 Cb 0.00 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2k3y s VAL 2 CO 0.00 -0.13 0.00 -0.67 -3.33 0.00 0.00 175.10 170.97 2k3y n ASP 3 N 1.96 0.00 0.23 3.54 2.03 -1.26 -4.99 116.55 118.06 2k3y n ASP 3 Ca -0.18 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.20 2k3y n ASP 3 Cb 0.57 0.05 0.56 0.00 -0.72 0.00 0.00 41.12 41.58 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 0.01 -2.34 -2.67 5.85 -1.96 -1.53 115.31 112.68 2k3y h LEU 4 Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2k3y h LEU 4 Cb 0.00 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2k3y h LEU 4 CO 0.00 0.11 0.15 -0.33 -0.34 0.00 0.00 178.44 178.03 2k3y h GLU 5 N 0.01 0.00 0.00 1.25 5.08 -1.94 -1.75 114.58 117.23 2k3y h GLU 5 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k3y h GLU 5 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k3y h GLU 5 CO 0.01 0.00 -0.09 0.37 -1.00 0.00 0.00 179.01 178.30 2k3y h GLN 6 N 0.00 0.00 -6.57 2.33 4.15 -1.48 -3.35 115.11 110.20 2k3y h GLN 6 Ca 0.05 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.96 2k3y h GLN 6 Cb 0.36 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2k3y h GLN 6 CO -0.00 0.09 -0.06 -1.21 -1.93 0.00 0.00 178.83 175.72 2k3y s GLU 7 N -3.84 3.74 -0.83 1.69 0.41 -0.66 -4.46 118.70 114.75 2k3y s GLU 7 Ca -0.01 0.24 -0.24 0.00 -0.41 0.00 0.00 54.97 54.55 2k3y s GLU 7 Cb 0.11 -2.58 -0.17 0.00 -1.78 0.00 0.00 34.13 29.71 2k3y s GLU 7 CO 0.56 0.19 2.35 1.97 -0.49 0.00 0.00 175.26 179.84 2k3y n PHE 8 N -0.73 1.00 -2.63 1.61 1.16 -1.26 -4.78 117.46 111.83 2k3y n PHE 8 Ca 0.00 -0.03 -0.41 0.00 -1.87 0.00 0.00 57.45 55.14 2k3y n PHE 8 Cb 0.53 -2.36 -0.04 0.00 -1.61 0.00 0.00 39.48 36.00 2k3y n PHE 8 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k3y s ALA 9 N 13.22 3.30 -1.29 1.98 0.00 -1.26 -4.92 121.76 132.79 2k3y s ALA 9 Ca 0.96 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.60 2k3y s ALA 9 Cb -0.21 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2k3y s ALA 9 CO 0.14 -0.12 0.82 1.28 0.00 0.00 0.00 175.76 177.89 2k3y n LEU 10 N 2.68 0.00 -1.38 0.00 7.99 -1.26 -1.38 117.00 123.65 2k3y n LEU 10 Ca 0.03 0.33 -0.05 0.00 -0.01 0.00 0.00 56.01 56.30 2k3y n LEU 10 Cb 0.48 -0.33 -0.02 0.00 -0.11 0.00 0.00 43.42 43.44 2k3y n LEU 10 CO 0.52 -0.33 0.39 0.61 -1.51 0.00 0.00 177.39 177.07 2k3y n GLY 11 N -1.32 0.85 1.53 -0.72 0.00 -1.26 -4.43 105.19 99.83 2k3y n GLY 11 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2k3y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 12 N -0.29 -1.34 3.91 -0.02 0.00 -0.48 -4.96 105.19 102.00 2k3y n GLY 12 Ca -0.24 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 2k3y n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3y s ARG 13 N -4.15 3.60 0.09 1.61 0.52 -1.26 -3.94 118.95 115.42 2k3y s ARG 13 Ca 0.30 0.10 0.04 0.00 -0.52 0.00 0.00 55.73 55.64 2k3y s ARG 13 Cb -0.01 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 2k3y s ARG 13 CO 0.21 0.01 -0.10 0.14 0.02 0.00 0.00 175.30 175.58 2k3y s VAL 14 N -2.41 0.89 -0.04 3.52 -7.23 -0.71 -0.86 120.40 113.57 2k3y s VAL 14 Ca 0.46 -1.54 0.05 0.00 -1.81 0.00 0.00 61.98 59.14 2k3y s VAL 14 Cb -0.10 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 2k3y s VAL 14 CO 0.36 -0.51 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.68 2k3y s LEU 15 N -2.28 1.99 -0.08 1.32 1.43 0.14 -0.51 118.68 120.68 2k3y s LEU 15 Ca 0.03 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2k3y s LEU 15 Cb -0.04 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.12 2k3y s LEU 15 CO 0.00 0.21 -0.11 0.00 0.23 0.00 0.00 176.35 176.68 2k3y s ALA 16 N -0.18 1.28 -0.22 4.21 0.00 -0.58 -1.22 121.76 125.05 2k3y s ALA 16 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 2k3y s ALA 16 Cb -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2k3y s ALA 16 CO 0.01 -0.08 0.06 0.12 0.00 0.00 0.00 175.76 175.88 2k3y s PHE 17 N 1.03 3.13 -0.11 0.00 5.36 -0.49 -1.07 117.98 125.83 2k3y s PHE 17 Ca -0.08 -0.25 0.19 0.00 -0.96 0.00 0.00 56.93 55.83 2k3y s PHE 17 Cb -0.15 -2.17 -0.28 0.00 -0.34 0.00 0.00 43.02 40.09 2k3y s PHE 17 CO -0.01 -0.17 0.26 0.72 -1.46 0.00 0.00 175.22 174.56 2k3y n HIS 18 N 4.38 0.00 0.00 10.12 8.25 -0.26 -4.78 115.22 132.93 2k3y n HIS 18 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2k3y n HIS 18 Cb 0.52 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 1.57 0.72 0.26 -1.41 0.00 -1.26 -4.90 105.19 100.16 2k3y n GLY 19 Ca -0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 0.71 -3.61 1.61 0.13 -1.97 -3.48 132.00 125.40 2k3y h PRO 20 Ca 0.00 -0.29 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 2k3y h PRO 20 Cb 0.00 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.05 2k3y h PRO 20 CO 0.00 0.89 0.01 -1.17 -0.23 0.00 0.00 178.00 177.51 2k3y s LEU 21 N -8.82 0.52 0.02 1.56 2.96 -1.26 -4.83 118.68 108.84 2k3y s LEU 21 Ca -0.09 -1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 52.51 2k3y s LEU 21 Cb 0.13 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.89 2k3y s LEU 21 CO 0.83 -1.45 0.03 -0.32 -1.32 0.00 0.00 176.35 174.12 2k3y s MET 22 N -2.84 0.44 0.10 1.98 -2.45 -1.26 -1.11 119.30 114.16 2k3y s MET 22 Ca 0.23 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 2k3y s MET 22 Cb -0.03 0.17 -0.04 0.00 1.25 0.00 0.00 34.83 36.18 2k3y s MET 22 CO 0.16 -0.09 -0.04 0.71 1.05 0.00 0.00 175.02 176.80 2k3y s TYR 23 N -1.96 0.83 0.30 4.11 2.02 -0.23 -4.96 117.35 117.46 2k3y s TYR 23 Ca -0.11 -0.99 -0.28 0.00 -0.37 0.00 0.00 57.07 55.32 2k3y s TYR 23 Cb -0.06 -0.50 -0.09 0.00 -0.40 0.00 0.00 41.96 40.91 2k3y s TYR 23 CO -0.02 -0.24 1.02 -1.21 -1.57 0.00 0.00 175.55 173.52 2k3y s GLU 24 N -3.88 4.61 0.11 -0.62 8.01 -1.26 -1.53 118.70 124.14 2k3y s GLU 24 Ca 0.13 1.58 -0.00 0.00 0.01 0.00 0.00 54.97 56.68 2k3y s GLU 24 Cb 0.06 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.81 2k3y s GLU 24 CO -0.05 0.25 0.02 0.00 0.01 0.00 0.00 175.26 175.49 2k3y s ALA 25 N -1.33 0.85 -0.28 5.21 0.00 0.33 -1.04 121.76 125.49 2k3y s ALA 25 Ca 0.47 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2k3y s ALA 25 Cb -0.26 0.60 0.16 0.00 0.00 0.00 0.00 23.12 23.62 2k3y s ALA 25 CO 0.33 -0.41 0.43 0.21 0.00 0.00 0.00 175.76 176.32 2k3y s LYS 26 N -3.98 0.43 0.61 0.00 2.20 -0.67 -1.73 119.74 116.60 2k3y s LYS 26 Ca 0.18 0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 55.89 2k3y s LYS 26 Cb 0.07 -0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 2k3y s LYS 26 CO -0.02 -0.95 1.27 -0.89 -0.36 0.00 0.00 175.35 174.41 2k3y n ILE 27 N 5.37 4.50 -0.21 5.43 5.41 -1.25 -1.48 119.36 137.12 2k3y n ILE 27 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2k3y n ILE 27 Cb 0.50 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 2k3y n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3y n LEU 28 N -1.50 0.00 -4.06 1.39 -0.00 -0.84 -4.47 117.00 107.52 2k3y n LEU 28 Ca 0.14 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.94 2k3y n LEU 28 Cb 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.74 2k3y n LEU 28 CO 0.49 0.00 -0.46 -0.75 -0.00 0.00 0.00 177.39 176.68 2k3y s LYS 29 N 0.00 1.04 0.11 1.47 2.20 -1.22 -1.76 119.74 121.58 2k3y s LYS 29 Ca 0.00 -0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2k3y s LYS 29 Cb 0.00 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.29 2k3y s LYS 29 CO 0.00 0.22 0.01 0.96 -0.36 0.00 0.00 175.35 176.18 2k3y s ILE 30 N -0.11 0.28 0.01 5.43 -4.36 0.25 -0.39 121.20 122.30 2k3y s ILE 30 Ca 0.02 -1.90 -0.14 0.00 -0.26 0.00 0.00 60.65 58.37 2k3y s ILE 30 Cb -0.06 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.79 2k3y s ILE 30 CO 0.00 -0.65 0.29 0.86 0.24 0.00 0.00 174.94 175.68 2k3y s TRP 31 N -3.91 -0.12 -0.09 1.37 -0.11 -0.06 -1.64 118.94 114.38 2k3y s TRP 31 Ca 0.18 0.11 -0.09 0.00 1.22 0.00 0.00 56.10 57.52 2k3y s TRP 31 Cb 0.07 0.08 0.02 0.00 -1.50 0.00 0.00 33.47 32.14 2k3y s TRP 31 CO -0.02 -0.42 0.25 0.34 -4.62 0.00 0.00 176.95 172.48 2k3y s ASP 32 N -1.61 -0.25 0.00 5.86 -1.08 -1.26 -1.61 116.67 116.72 2k3y s ASP 32 Ca -0.10 0.46 0.13 0.00 -0.52 0.00 0.00 52.55 52.52 2k3y s ASP 32 Cb -0.04 0.49 0.59 0.00 -1.46 0.00 0.00 42.92 42.50 2k3y s ASP 32 CO 0.01 -0.12 1.41 -0.81 0.52 0.00 0.00 175.17 176.19 2k3y n PRO 33 N 2.79 0.03 0.08 4.34 -0.04 -1.25 -2.34 135.00 138.61 2k3y n PRO 33 Ca -0.14 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2k3y n PRO 33 Cb 0.58 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.30 0.00 3.54 0.02 -1.94 -3.19 113.55 112.28 2k3y h SER 34 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2k3y h SER 34 Cb 0.21 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k3y h SER 34 CO 0.00 0.63 -0.68 -1.54 -1.14 0.00 0.00 176.83 174.10 2k3y n SER 35 N -4.08 2.62 -3.94 3.07 3.41 -1.25 -5.02 113.62 108.42 2k3y n SER 35 Ca -0.01 -0.24 -0.26 0.00 -0.26 0.00 0.00 58.87 58.11 2k3y n SER 35 Cb 0.43 1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 65.43 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3y n LYS 36 N -1.35 -3.56 -3.84 4.33 5.02 -0.99 -5.00 118.16 112.77 2k3y n LYS 36 Ca -0.00 0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 56.61 2k3y n LYS 36 Cb 0.05 -4.68 -0.09 0.00 -0.02 0.00 0.00 35.03 30.29 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 -6.51 0.58 0.48 1.97 -1.94 -1.26 -4.77 119.30 107.86 2k3y s MET 37 Ca 0.08 -0.40 0.08 0.00 -1.71 0.00 0.00 55.69 53.74 2k3y s MET 37 Cb -0.04 0.25 0.03 0.00 2.01 0.00 0.00 34.83 37.08 2k3y s MET 37 CO 0.88 -0.15 0.60 1.52 -0.01 0.00 0.00 175.02 177.86 2k3y s TYR 38 N -1.66 2.21 0.05 -0.03 -0.85 -1.25 -4.16 117.35 111.65 2k3y s TYR 38 Ca -0.12 -0.56 -0.04 0.00 -0.52 0.00 0.00 57.07 55.82 2k3y s TYR 38 Cb -0.05 -2.25 -0.02 0.00 0.38 0.00 0.00 41.96 40.02 2k3y s TYR 38 CO 0.01 -0.63 0.06 0.95 -1.52 0.00 0.00 175.55 174.42 2k3y s THR 39 N -2.51 0.16 0.01 -3.49 -4.23 -0.65 -4.09 115.64 100.84 2k3y s THR 39 Ca 0.55 -1.31 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 2k3y s THR 39 Cb -0.07 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.69 2k3y s THR 39 CO 0.33 -0.72 0.27 -0.55 -0.54 0.00 0.00 174.62 173.41 2k3y s SER 40 N -2.42 -0.12 0.04 3.99 0.15 -1.26 -0.58 113.70 113.50 2k3y s SER 40 Ca -0.01 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 2k3y s SER 40 Cb 0.02 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2k3y s SER 40 CO -0.07 -0.50 0.07 0.27 1.20 0.00 0.00 173.24 174.21 2k3y s ILE 41 N -1.85 0.15 -0.51 6.45 -5.25 -0.72 -1.21 121.20 118.26 2k3y s ILE 41 Ca -0.10 -1.25 -0.28 0.00 -0.99 0.00 0.00 60.65 58.03 2k3y s ILE 41 Cb -0.04 -1.04 -0.00 0.00 2.95 0.00 0.00 42.46 44.33 2k3y s ILE 41 CO 0.01 -0.69 1.63 -2.16 -1.79 0.00 0.00 174.94 171.94 2k3y s PRO 42 N -2.96 3.13 0.00 0.37 0.04 -1.22 -4.64 135.00 129.71 2k3y s PRO 42 Ca -0.02 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2k3y s PRO 42 Cb 0.01 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2k3y s PRO 42 CO -0.06 -2.13 0.00 -1.71 0.04 0.00 0.00 177.00 173.14 2k3y n ASN 43 N 10.63 0.00 -3.92 6.66 2.85 -1.26 -5.03 115.26 125.19 2k3y n ASN 43 Ca 0.17 -0.68 -0.09 0.00 -0.11 0.00 0.00 54.58 53.87 2k3y n ASN 43 Cb 0.49 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.46 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3y s ASP 44 N 0.00 -0.12 -0.39 1.20 2.15 -1.26 -5.04 116.67 113.20 2k3y s ASP 44 Ca 0.00 -0.79 0.03 0.00 0.43 0.00 0.00 52.55 52.22 2k3y s ASP 44 Cb 0.00 0.57 0.16 0.00 -0.30 0.00 0.00 42.92 43.35 2k3y s ASP 44 CO 0.00 -1.10 0.33 -0.75 -0.17 0.00 0.00 175.17 173.49 2k3y s LYS 45 N -3.97 0.75 0.90 4.34 2.20 -1.26 -0.78 119.74 121.91 2k3y s LYS 45 Ca 0.18 -1.55 -0.10 0.00 -0.36 0.00 0.00 55.97 54.14 2k3y s LYS 45 Cb -0.01 -1.14 0.13 0.00 -1.51 0.00 0.00 37.83 35.31 2k3y s LYS 45 CO 0.05 -1.29 1.12 -1.25 -0.36 0.00 0.00 175.35 173.61 2k3y s PRO 46 N 0.70 1.20 0.63 4.03 0.04 -1.26 -4.89 135.00 135.45 2k3y s PRO 46 Ca 0.25 1.35 0.34 0.00 0.04 0.00 0.00 61.00 62.98 2k3y s PRO 46 Cb -0.09 -1.76 1.93 0.00 0.04 0.00 0.00 34.50 34.62 2k3y s PRO 46 CO -0.09 -2.44 2.18 0.78 0.04 0.00 0.00 177.00 177.48 2k3y h GLY 47 N -1.72 0.00 -1.22 0.56 0.00 -1.95 -2.56 103.07 96.19 2k3y h GLY 47 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k3y h GLY 47 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.61 2k3y n GLY 48 N -1.26 1.33 3.42 4.60 0.00 -1.26 -5.05 105.19 106.98 2k3y n GLY 48 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 2k3y n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 49 N -1.02 0.97 0.91 1.61 0.01 -0.97 -5.17 113.70 110.04 2k3y s SER 49 Ca 0.20 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2k3y s SER 49 Cb 0.12 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2k3y s SER 49 CO 0.17 -1.20 0.00 -1.54 0.41 0.00 0.00 173.24 171.08 2k3y n SER 50 N -1.29 -0.21 -4.75 2.44 3.41 -1.26 -4.52 113.62 107.44 2k3y n SER 50 Ca 0.02 -0.80 -0.34 0.00 -0.26 0.00 0.00 58.87 57.49 2k3y n SER 50 Cb 0.62 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.63 2k3y n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3y s GLN 51 N -2.72 2.59 0.60 4.33 -2.07 -1.26 -4.12 119.66 116.99 2k3y s GLN 51 Ca 0.00 1.55 -0.18 0.00 -1.82 0.00 0.00 55.36 54.91 2k3y s GLN 51 Cb 0.00 -1.91 -0.03 0.00 -1.09 0.00 0.00 33.01 29.98 2k3y s GLN 51 CO 0.00 -1.45 1.19 0.00 -1.32 0.00 0.00 175.29 173.71 2k3y s ALA 52 N -2.15 2.54 0.29 2.60 0.00 0.04 -4.95 121.76 120.12 2k3y s ALA 52 Ca 0.70 0.94 0.10 0.00 0.00 0.00 0.00 51.96 53.70 2k3y s ALA 52 Cb -0.24 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2k3y s ALA 52 CO 0.42 -1.14 -0.02 0.95 0.00 0.00 0.00 175.76 175.97 2k3y s THR 53 N -1.69 3.13 0.00 0.00 -4.23 -1.26 -4.25 115.64 107.34 2k3y s THR 53 Ca 0.76 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2k3y s THR 53 Cb -0.29 -2.77 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 2k3y s THR 53 CO 0.33 -0.33 0.12 1.17 -0.54 0.00 0.00 174.62 175.37 2k3y n LYS 54 N -0.89 -0.00 -3.40 3.99 4.81 -1.26 -3.44 118.16 117.97 2k3y n LYS 54 Ca -0.06 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 2k3y n LYS 54 Cb 0.60 -0.19 -0.10 0.00 0.02 0.00 0.00 35.03 35.37 2k3y n LYS 54 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2k3y s GLU 55 N -3.10 0.30 0.10 1.64 2.12 -1.26 -4.07 118.70 114.43 2k3y s GLU 55 Ca -0.00 0.26 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 2k3y s GLU 55 Cb 0.00 -0.73 -0.06 0.00 0.26 0.00 0.00 34.13 33.60 2k3y s GLU 55 CO 0.00 -0.76 1.14 0.42 -0.54 0.00 0.00 175.26 175.53 2k3y s ILE 56 N 2.44 4.06 0.28 -3.70 1.01 -0.35 -4.98 121.20 119.98 2k3y s ILE 56 Ca 0.10 1.58 -0.29 0.00 0.00 0.00 0.00 60.65 62.03 2k3y s ILE 56 Cb -0.15 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 2k3y s ILE 56 CO -0.19 0.18 1.35 -0.54 0.00 0.00 0.00 174.94 175.73 2k3y s LYS 57 N 0.53 4.33 0.21 2.79 -0.14 -1.26 -4.11 119.74 122.10 2k3y s LYS 57 Ca 0.55 2.21 -0.30 0.00 -1.36 0.00 0.00 55.97 57.07 2k3y s LYS 57 Cb -0.29 -3.10 -0.09 0.00 -1.68 0.00 0.00 37.83 32.68 2k3y s LYS 57 CO 0.31 -0.27 1.22 -1.25 -0.76 0.00 0.00 175.35 174.61 2k3y s PRO 58 N -1.09 4.47 0.19 -1.68 0.04 -1.26 -4.94 135.00 130.74 2k3y s PRO 58 Ca 0.53 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2k3y s PRO 58 Cb -0.40 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 2k3y s PRO 58 CO 0.48 -0.10 0.06 -0.65 0.04 0.00 0.00 177.00 176.83 2k3y s GLN 59 N -0.45 1.15 0.71 4.56 -1.52 -1.26 -4.98 119.66 117.87 2k3y s GLN 59 Ca 0.52 -1.58 -0.16 0.00 -1.95 0.00 0.00 55.36 52.19 2k3y s GLN 59 Cb -0.34 -0.03 0.03 0.00 -0.22 0.00 0.00 33.01 32.44 2k3y s GLN 59 CO 0.39 -0.25 1.23 0.15 -0.25 0.00 0.00 175.29 176.55 2k3y s LYS 60 N -4.02 2.26 0.03 2.91 -0.14 -1.26 -3.88 119.74 115.64 2k3y s LYS 60 Ca 0.30 1.83 0.02 0.00 -1.36 0.00 0.00 55.97 56.76 2k3y s LYS 60 Cb 0.07 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.34 2k3y s LYS 60 CO 0.07 -1.76 0.06 -1.17 -0.76 0.00 0.00 175.35 171.79 2k3y s LEU 61 N -4.93 3.75 0.00 3.17 0.20 -1.26 -4.72 118.68 114.88 2k3y s LEU 61 Ca 0.76 0.04 0.00 0.00 0.69 0.00 0.00 54.13 55.62 2k3y s LEU 61 Cb -0.31 -2.28 0.00 0.00 -0.43 0.00 0.00 46.19 43.17 2k3y s LEU 61 CO 0.43 0.23 0.00 0.61 -0.29 0.00 0.00 176.35 177.34 2k3y n GLY 62 N 0.94 1.29 0.10 7.98 0.00 -1.24 -5.05 105.19 109.21 2k3y n GLY 62 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 0.14 0.00 1.61 4.39 -2.02 -3.43 114.58 115.27 2k3y h GLU 63 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2k3y h GLU 63 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k3y h GLU 63 CO 0.00 0.89 0.00 -3.47 -1.16 0.00 0.00 179.01 175.27 2k3y n ASP 64 N -3.30 0.00 -3.79 1.42 2.03 -1.26 -5.13 116.55 106.52 2k3y n ASP 64 Ca -0.18 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.04 2k3y n ASP 64 Cb 1.04 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.39 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3y s GLU 65 N 0.00 1.26 -0.06 -0.67 1.03 -1.26 -5.10 118.70 113.90 2k3y s GLU 65 Ca 0.00 -0.93 -0.07 0.00 0.03 0.00 0.00 54.97 54.00 2k3y s GLU 65 Cb 0.00 0.47 0.02 0.00 -0.80 0.00 0.00 34.13 33.82 2k3y s GLU 65 CO 0.00 -0.51 0.19 -1.12 -1.33 0.00 0.00 175.26 172.49 2k3y s SER 66 N -2.89 -0.16 -0.03 0.83 0.01 -1.26 -3.68 113.70 106.52 2k3y s SER 66 Ca 0.10 0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.64 2k3y s SER 66 Cb 0.01 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.62 2k3y s SER 66 CO -0.03 -0.15 -0.04 0.27 0.41 0.00 0.00 173.24 173.70 2k3y s ILE 67 N -0.26 0.46 0.82 1.44 -4.36 -1.26 -4.71 121.20 113.33 2k3y s ILE 67 Ca -0.04 -0.13 -0.11 0.00 -0.26 0.00 0.00 60.65 60.12 2k3y s ILE 67 Cb -0.03 -0.47 0.08 0.00 1.25 0.00 0.00 42.46 43.30 2k3y s ILE 67 CO 0.01 0.19 1.09 -2.16 0.24 0.00 0.00 174.94 174.31 2k3y s PRO 68 N 0.62 1.89 0.36 0.37 0.04 -1.26 -4.84 135.00 132.18 2k3y s PRO 68 Ca -0.08 1.11 0.20 0.00 0.04 0.00 0.00 61.00 62.27 2k3y s PRO 68 Cb -0.11 -1.86 1.08 0.00 0.04 0.00 0.00 34.50 33.65 2k3y s PRO 68 CO -0.00 -1.88 1.56 0.93 0.04 0.00 0.00 177.00 177.65 2k3y h GLU 69 N -1.30 0.00 0.00 4.56 5.08 -2.01 -1.65 114.58 119.26 2k3y h GLU 69 Ca -0.45 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2k3y h GLU 69 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2k3y h GLU 69 CO 0.51 0.00 -0.36 0.93 -1.00 0.00 0.00 179.01 179.09 2k3y h GLU 70 N 0.00 0.00 0.00 2.33 5.08 -2.02 -3.31 114.58 116.66 2k3y h GLU 70 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3y h GLU 70 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k3y h GLU 70 CO 0.00 0.36 0.00 0.44 -1.00 0.00 0.00 179.01 178.81 2k3y n ILE 71 N -3.68 0.00 -0.17 3.13 -5.35 -0.65 -4.53 119.36 108.12 2k3y n ILE 71 Ca -0.01 -0.47 -0.06 0.00 -0.27 0.00 0.00 62.75 61.94 2k3y n ILE 71 Cb 0.46 1.01 0.03 0.00 -1.74 0.00 0.00 39.64 39.41 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 0.01 1.06 -0.02 7.28 1.08 -1.58 -3.18 117.51 122.15 2k3y h ILE 72 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2k3y h ILE 72 Cb 0.01 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2k3y h ILE 72 CO 0.00 0.11 0.00 -0.46 -0.69 0.00 0.00 178.15 177.11 2k3y n ASN 73 N -4.79 0.12 -1.47 1.72 0.23 -1.24 -3.95 115.26 105.88 2k3y n ASN 73 Ca 0.03 -1.99 -0.02 0.00 -0.53 0.00 0.00 54.58 52.07 2k3y n ASN 73 Cb 0.07 -0.02 0.01 0.00 -2.08 0.00 0.00 39.78 37.76 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 0.54 1.88 3.72 4.83 0.00 -1.20 -4.74 105.19 110.22 2k3y n GLY 74 Ca 0.01 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.14 2.41 -4.01 1.61 4.76 -1.26 -4.10 118.16 117.43 2k3y n LYS 75 Ca -0.02 0.85 -0.08 0.00 -2.87 0.00 0.00 58.31 56.19 2k3y n LYS 75 Cb 0.15 -2.56 -0.10 0.00 -1.84 0.00 0.00 35.03 30.68 2k3y n LYS 75 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k3y s SER 76 N 0.22 0.31 -0.14 4.39 0.15 -0.63 -4.11 113.70 113.88 2k3y s SER 76 Ca 0.62 -0.66 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 2k3y s SER 76 Cb -0.55 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 63.97 2k3y s SER 76 CO 0.53 -0.43 0.09 -0.36 1.20 0.00 0.00 173.24 174.27 2k3y s PHE 77 N -2.43 0.14 -0.00 3.44 0.08 -1.00 -0.88 117.98 117.33 2k3y s PHE 77 Ca -0.07 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 2k3y s PHE 77 Cb -0.03 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 2k3y s PHE 77 CO -0.04 -0.44 1.07 0.12 -0.10 0.00 0.00 175.22 175.83 2k3y s PHE 78 N 2.15 3.52 0.06 0.36 5.36 0.47 -1.61 117.98 128.31 2k3y s PHE 78 Ca 0.03 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2k3y s PHE 78 Cb -0.15 -3.25 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 2k3y s PHE 78 CO -0.08 -0.55 -0.05 0.96 -1.46 0.00 0.00 175.22 174.04 2k3y s ILE 79 N 1.30 0.44 -0.26 3.12 -4.36 -0.72 -1.98 121.20 118.74 2k3y s ILE 79 Ca 0.54 -1.57 -0.10 0.00 -0.26 0.00 0.00 60.65 59.26 2k3y s ILE 79 Cb -0.23 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 2k3y s ILE 79 CO 0.26 -0.75 0.15 -2.28 0.24 0.00 0.00 174.94 172.56 2k3y s HIS 80 N -2.93 3.21 -0.36 1.37 5.65 -0.55 -3.23 115.29 118.46 2k3y s HIS 80 Ca 0.02 0.02 -0.29 0.00 0.25 0.00 0.00 55.06 55.06 2k3y s HIS 80 Cb 0.01 -2.30 0.00 0.00 -1.18 0.00 0.00 32.58 29.11 2k3y s HIS 80 CO -0.05 -0.13 1.40 0.71 -0.65 0.00 0.00 174.74 176.03 2k3y s TYR 81 N 1.47 2.45 0.46 3.88 2.02 -1.26 -1.67 117.35 124.70 2k3y s TYR 81 Ca 0.07 0.73 -0.20 0.00 -0.37 0.00 0.00 57.07 57.29 2k3y s TYR 81 Cb -0.15 -4.14 -0.10 0.00 -0.40 0.00 0.00 41.96 37.17 2k3y s TYR 81 CO 0.07 -2.01 0.99 -0.65 -1.57 0.00 0.00 175.55 172.38 2k3y s GLN 82 N 4.68 4.04 0.00 -0.62 -0.21 -0.21 -2.74 119.66 124.61 2k3y s GLN 82 Ca 0.61 1.19 0.00 0.00 0.02 0.00 0.00 55.36 57.18 2k3y s GLN 82 Cb -0.16 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.71 2k3y s GLN 82 CO 0.29 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 2k3y n GLY 83 N -0.60 0.20 3.34 3.09 0.00 -1.26 -4.55 105.19 105.41 2k3y n GLY 83 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.47 1.59 0.77 1.61 0.52 -1.11 -5.15 118.94 115.70 2k3y s TRP 84 Ca 0.00 -1.30 -0.11 0.00 0.02 0.00 0.00 56.10 54.72 2k3y s TRP 84 Cb 0.00 -0.89 0.06 0.00 -1.15 0.00 0.00 33.47 31.49 2k3y s TRP 84 CO 0.00 -0.44 1.09 0.15 0.02 0.00 0.00 176.95 177.76 2k3y s LYS 85 N -3.89 2.27 0.56 4.98 1.02 -1.26 -4.86 119.74 118.56 2k3y s LYS 85 Ca 0.36 1.08 0.33 0.00 0.02 0.00 0.00 55.97 57.76 2k3y s LYS 85 Cb 0.06 -1.91 1.64 0.00 -0.52 0.00 0.00 37.83 37.10 2k3y s LYS 85 CO 0.16 -1.61 2.11 0.66 -0.92 0.00 0.00 175.35 175.75 2k3y h SER 86 N -1.10 0.00 -0.62 2.83 4.64 -2.00 -3.00 113.55 114.31 2k3y h SER 86 Ca -0.44 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.02 2k3y h SER 86 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2k3y h SER 86 CO 0.53 0.06 0.42 0.28 -0.87 0.00 0.00 176.83 177.26 2k3y h SER 87 N 0.00 0.21 0.27 4.97 0.02 -1.99 -1.30 113.55 115.74 2k3y h SER 87 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3y h SER 87 Cb 0.32 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k3y h SER 87 CO 0.01 0.12 -0.05 0.79 -1.14 0.00 0.00 176.83 176.55 2k3y n TRP 88 N -4.43 0.00 -1.84 3.45 7.02 -1.13 -4.84 117.44 115.66 2k3y n TRP 88 Ca 0.11 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.16 2k3y n TRP 88 Cb 0.52 -0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 29.25 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 -2.33 5.80 0.23 -0.99 1.01 -0.49 -4.72 116.67 115.17 2k3y s ASP 89 Ca 0.34 1.65 -0.18 0.00 0.71 0.00 0.00 52.55 55.07 2k3y s ASP 89 Cb 0.21 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.64 2k3y s ASP 89 CO 0.43 -1.72 0.58 -0.70 0.21 0.00 0.00 175.17 173.97 2k3y s GLU 90 N 5.75 1.52 0.13 8.23 2.56 -1.20 -4.98 118.70 130.71 2k3y s GLU 90 Ca 0.88 -0.93 -0.04 0.00 0.00 0.00 0.00 54.97 54.87 2k3y s GLU 90 Cb -0.28 0.54 -0.05 0.00 2.00 0.00 0.00 34.13 36.34 2k3y s GLU 90 CO 0.34 -0.66 0.35 -1.58 -0.56 0.00 0.00 175.26 173.15 2k3y s TRP 91 N -3.90 3.48 0.12 5.30 0.52 -1.26 -1.76 118.94 121.45 2k3y s TRP 91 Ca 0.11 0.50 0.07 0.00 0.02 0.00 0.00 56.10 56.80 2k3y s TRP 91 Cb -0.02 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 2k3y s TRP 91 CO 0.01 0.46 -0.17 0.14 0.02 0.00 0.00 176.95 177.42 2k3y s VAL 92 N -1.63 1.53 0.46 4.03 -7.23 -0.63 -4.92 120.40 112.00 2k3y s VAL 92 Ca 0.40 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 2k3y s VAL 92 Cb -0.12 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 2k3y s VAL 92 CO 0.25 -0.29 0.73 -0.83 -0.31 0.00 0.00 175.10 174.66 2k3y s GLY 93 N -2.31 1.47 0.00 2.32 0.00 -1.26 -2.38 107.32 105.16 2k3y s GLY 93 Ca 0.09 -0.64 0.05 0.00 0.00 0.00 0.00 44.72 44.22 2k3y s GLY 93 CO 0.04 -0.49 0.77 2.98 0.00 0.00 0.00 173.10 176.40 2k3y n TYR 94 N -2.16 0.00 0.13 1.90 9.36 -1.26 -0.94 117.16 124.19 2k3y n TYR 94 Ca -0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.26 2k3y n TYR 94 Cb 0.56 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.29 2k3y n TYR 94 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2k3y h ASP 95 N 0.00 0.00 0.00 2.98 3.58 -1.94 -3.40 116.42 117.64 2k3y h ASP 95 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2k3y h ASP 95 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k3y h ASP 95 CO 0.00 0.36 -1.05 0.54 -2.88 0.00 0.00 179.24 176.21 2k3y n ARG 96 N -3.06 2.09 -3.96 0.28 1.74 -0.11 -5.00 116.66 108.64 2k3y n ARG 96 Ca -0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2k3y n ARG 96 Cb 0.70 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 31.07 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 -2.02 5.13 -0.00 0.55 2.07 -0.66 -1.39 121.20 124.88 2k3y s ILE 97 Ca -0.01 -0.48 -0.07 0.00 -1.41 0.00 0.00 60.65 58.68 2k3y s ILE 97 Cb 0.00 -3.48 0.00 0.00 0.13 0.00 0.00 42.46 39.11 2k3y s ILE 97 CO 0.02 0.16 0.14 -0.13 -1.91 0.00 0.00 174.94 173.22 2k3y s ARG 98 N -2.41 0.47 0.36 3.50 0.52 -0.36 -4.45 118.95 116.58 2k3y s ARG 98 Ca 0.32 -0.37 -0.27 0.00 -0.52 0.00 0.00 55.73 54.90 2k3y s ARG 98 Cb -0.13 0.20 -0.09 0.00 0.52 0.00 0.00 34.95 35.45 2k3y s ARG 98 CO 0.25 -0.11 1.21 0.00 0.02 0.00 0.00 175.30 176.67 2k3y s ALA 99 N -1.31 3.31 -0.08 2.13 0.00 -1.26 -0.69 121.76 123.86 2k3y s ALA 99 Ca -0.14 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2k3y s ALA 99 Cb -0.07 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2k3y s ALA 99 CO 0.02 -0.51 2.09 0.98 0.00 0.00 0.00 175.76 178.34 2k3y n TYR 100 N 0.51 2.26 -3.66 0.00 4.19 -0.04 -4.75 117.16 115.67 2k3y n TYR 100 Ca 0.02 -0.27 -0.09 0.00 3.31 0.00 0.00 57.90 60.87 2k3y n TYR 100 Cb 0.45 -2.77 -0.02 0.00 0.49 0.00 0.00 39.34 37.48 2k3y n TYR 100 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2k3y s ASN 101 N 6.24 -0.38 0.44 2.98 2.20 -1.26 -4.40 114.94 120.77 2k3y s ASN 101 Ca 0.95 -0.33 0.13 0.00 -0.94 0.00 0.00 52.86 52.67 2k3y s ASN 101 Cb -0.39 0.65 1.03 0.00 -2.00 0.00 0.00 41.25 40.54 2k3y s ASN 101 CO 0.39 -1.14 2.02 -0.08 -2.94 0.00 0.00 177.10 175.35 2k3y h GLU 102 N 2.00 0.37 -0.47 3.55 4.57 -1.97 -0.26 114.58 122.36 2k3y h GLU 102 Ca -0.25 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 2k3y h GLU 102 Cb 1.27 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2k3y h GLU 102 CO 0.29 0.24 0.11 1.49 -1.18 0.00 0.00 179.01 179.97 2k3y h GLU 103 N 0.38 0.76 -0.13 1.92 4.57 -1.98 0.19 114.58 120.29 2k3y h GLU 103 Ca 0.21 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 2k3y h GLU 103 Cb 0.36 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k3y h GLU 103 CO -0.05 0.74 -0.41 -0.91 -1.18 0.00 0.00 179.01 177.20 2k3y h ASN 104 N 0.64 0.31 -0.04 1.04 2.35 -1.43 -1.59 115.58 116.86 2k3y h ASN 104 Ca 0.15 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 2k3y h ASN 104 Cb 0.33 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2k3y h ASN 104 CO 0.00 0.69 -0.29 0.40 -1.65 0.00 0.00 177.43 176.58 2k3y h ILE 105 N 0.25 1.28 -0.42 2.81 1.08 -0.82 0.28 117.51 121.96 2k3y h ILE 105 Ca 0.02 -1.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.13 2k3y h ILE 105 Cb 0.83 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 2k3y h ILE 105 CO 0.07 0.42 0.18 0.00 -0.69 0.00 0.00 178.15 178.13 2k3y h ALA 106 N 1.27 0.54 -0.22 1.87 0.00 -0.29 0.18 119.26 122.61 2k3y h ALA 106 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k3y h ALA 106 Cb 0.72 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2k3y h ALA 106 CO 0.06 0.13 -0.05 1.98 0.00 0.00 0.00 179.25 181.37 2k3y h MET 107 N 0.53 0.01 -0.00 0.00 1.85 -1.06 -1.81 114.93 114.44 2k3y h MET 107 Ca 0.14 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.24 2k3y h MET 107 Cb 0.17 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 2k3y h MET 107 CO -0.01 0.01 -0.03 -0.22 -0.40 0.00 0.00 176.91 176.25 2k3y h LYS 108 N 0.01 -0.05 0.01 0.39 3.64 0.30 -1.16 116.57 119.71 2k3y h LYS 108 Ca 0.11 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.26 2k3y h LYS 108 Cb 0.16 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2k3y h LYS 108 CO -0.22 -0.03 -0.97 1.57 -2.27 0.00 0.00 179.45 177.52 2k3y h LYS 109 N -0.05 0.43 -0.93 1.90 2.10 -0.60 0.21 116.57 119.63 2k3y h LYS 109 Ca 0.01 -0.48 0.05 0.00 -2.00 0.00 0.00 60.65 58.23 2k3y h LYS 109 Cb 0.07 0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.48 2k3y h LYS 109 CO -0.03 1.14 0.60 -0.09 -2.00 0.00 0.00 179.45 179.06 2k3y h ARG 110 N 0.24 1.10 0.13 0.07 1.12 -1.18 -1.67 114.38 114.19 2k3y h ARG 110 Ca -0.09 -0.07 -0.20 0.00 -1.11 0.00 0.00 59.98 58.52 2k3y h ARG 110 Cb 1.62 -0.25 0.02 0.00 -0.01 0.00 0.00 29.97 31.35 2k3y h ARG 110 CO 0.17 0.73 -0.84 -0.07 -3.11 0.00 0.00 179.97 176.85 2k3y h LEU 111 N 1.14 0.51 -1.60 3.80 3.38 -0.86 -1.21 115.31 120.47 2k3y h LEU 111 Ca 0.38 -0.92 0.28 0.00 0.09 0.00 0.00 57.88 57.71 2k3y h LEU 111 Cb 0.07 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2k3y h LEU 111 CO -0.14 1.40 0.71 0.00 0.09 0.00 0.00 178.44 180.49 2k3y h ALA 112 N 0.12 2.52 0.01 1.53 0.00 -0.57 0.15 119.26 123.03 2k3y h ALA 112 Ca -0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k3y h ALA 112 Cb 1.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2k3y h ALA 112 CO 0.16 -0.88 -0.01 -0.97 0.00 0.00 0.00 179.25 177.55 2k3y h ASN 113 N 0.25 -0.01 1.20 0.00 -1.24 -1.26 -3.14 115.58 111.38 2k3y h ASN 113 Ca 0.56 -0.54 -0.11 0.00 0.71 0.00 0.00 56.30 56.92 2k3y h ASN 113 Cb 1.69 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.73 2k3y h ASN 113 CO -0.18 0.75 -0.54 -0.33 -1.29 0.00 0.00 177.43 175.83 2k3y h GLU 114 N -0.99 0.00 0.00 6.67 4.39 -0.73 -3.38 114.58 120.54 2k3y h GLU 114 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k3y h GLU 114 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2k3y h GLU 114 CO 0.00 0.54 0.00 0.00 -1.16 0.00 0.00 179.01 178.39 2k3y n ALA 115 N -2.27 0.42 -1.04 3.43 0.00 0.49 -5.07 120.51 116.46 2k3y n ALA 115 Ca 0.01 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 2k3y n ALA 115 Cb 0.69 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 -0.42 3.44 0.00 0.00 -0.92 -4.52 105.19 102.78 2k3y n GLY 116 Ca 0.00 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 2k3y n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 117 N -2.88 1.15 -4.68 1.61 7.64 -1.26 -4.87 113.62 110.33 2k3y n SER 117 Ca 0.12 0.22 -0.49 0.00 1.01 0.00 0.00 58.87 59.74 2k3y n SER 117 Cb 0.51 -1.11 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 2k3y n SER 117 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k3y n THR 118 N 7.31 0.45 0.64 0.44 -2.24 -1.26 -4.90 114.28 114.72 2k3y n THR 118 Ca 0.53 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.36 2k3y n THR 118 Cb 0.15 -1.75 0.45 0.00 -2.10 0.00 0.00 70.33 67.08 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 4.17 -1.59 0.19 3.38 0.00 -1.26 -3.71 105.19 106.36 2k3y n GLY 119 Ca 0.22 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.24 2k3y n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3y n SER 120 N -2.13 0.94 -3.38 1.61 3.41 -1.26 -4.90 113.62 107.92 2k3y n SER 120 Ca 0.05 -2.04 -0.22 0.00 -0.26 0.00 0.00 58.87 56.40 2k3y n SER 120 Cb 0.38 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3y s ALA 121 N -0.90 0.21 -1.68 7.33 0.00 -1.24 -5.03 121.76 120.45 2k3y s ALA 121 Ca 0.08 -1.46 0.15 0.00 0.00 0.00 0.00 51.96 50.72 2k3y s ALA 121 Cb 0.07 -1.86 0.79 0.00 0.00 0.00 0.00 23.12 22.12 2k3y s ALA 121 CO 0.01 -2.12 1.35 -0.35 0.00 0.00 0.00 175.76 174.65 2k3y n PRO 122 N 3.94 0.32 0.18 0.00 -0.04 -1.26 -1.91 135.00 136.22 2k3y n PRO 122 Ca 0.14 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 2k3y n PRO 122 Cb 0.43 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.00 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 2.78 2.02 -7.00 0.55 0.00 -1.96 -3.47 119.26 112.18 2k3y h ALA 123 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2k3y h ALA 123 Cb 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2k3y h ALA 123 CO 0.00 -0.04 -0.93 0.25 0.00 0.00 0.00 179.25 178.53 2k3y n THR 124 N -4.51 -2.15 -0.00 0.00 -2.24 -0.80 -4.82 114.28 99.76 2k3y n THR 124 Ca -0.00 -0.53 0.22 0.00 -2.27 0.00 0.00 64.05 61.48 2k3y n THR 124 Cb 0.16 -1.85 0.72 0.00 -2.10 0.00 0.00 70.33 67.26 2k3y n THR 124 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2k3y h GLY 125 N -2.10 0.00 -0.94 3.38 0.00 -1.91 -0.72 103.07 100.79 2k3y h GLY 125 Ca -0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2k3y h GLY 125 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2k3y n GLY 126 N -1.59 0.50 0.00 4.60 0.00 -1.26 -5.04 105.19 102.39 2k3y n GLY 126 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k3y n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k3y n VAL 127 N 0.03 0.00 -3.30 1.61 0.31 -0.28 -4.12 118.33 112.58 2k3y n VAL 127 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.42 2k3y n VAL 127 Cb 0.25 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.14 2k3y n VAL 127 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k3y s LYS 129 N 1.64 0.01 0.18 5.55 -0.14 -1.26 -4.96 119.74 120.76 2k3y s LYS 129 Ca 0.00 0.03 0.25 0.00 -1.36 0.00 0.00 55.97 54.88 2k3y s LYS 129 Cb 0.00 0.01 0.54 0.00 -1.68 0.00 0.00 37.83 36.71 2k3y s LYS 129 CO 0.00 -0.00 1.53 -1.00 -0.76 0.00 0.00 175.35 175.12 2k3y h PRO 130 N 6.46 0.00 0.00 -1.68 0.13 -2.05 -3.45 132.00 131.40 2k3y h PRO 130 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2k3y h PRO 130 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k3y h PRO 130 CO 0.11 0.00 0.00 1.58 -0.23 0.00 0.00 178.00 179.46 2k3y n HIS 131 N -2.25 -3.02 -3.99 1.56 -0.00 -1.26 -4.69 115.22 101.58 2k3y n HIS 131 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 2k3y n HIS 131 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.42 2k3y n HIS 131 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k3y n ARG 132 N -0.88 -3.73 0.17 1.57 1.74 -1.26 -4.88 116.66 109.39 2k3y n ARG 132 Ca 0.00 0.44 0.14 0.00 -0.77 0.00 0.00 57.85 57.66 2k3y n ARG 132 Cb 0.00 -4.86 0.70 0.00 -1.02 0.00 0.00 32.46 27.29 2k3y n ARG 132 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2k3y h TYR 133 N -1.80 0.00 0.00 -1.55 3.20 -1.94 -3.51 116.97 111.37 2k3y h TYR 133 Ca -0.61 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.26 2k3y h TYR 133 Cb 1.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.65 2k3y h TYR 133 CO 0.53 0.00 0.00 2.89 -1.64 0.00 0.00 178.16 179.94