#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s h PRO 2 N 0.00 0.78 0.00 1.61 0.11 -2.09 -3.20 132.00 129.21 2k3s h PRO 2 Ca 0.00 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.85 2k3s h PRO 2 Cb 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 2k3s h PRO 2 CO 0.00 0.52 -1.82 1.28 -0.21 0.00 0.00 178.00 177.77 2k3s n LEU 3 N -4.61 1.63 -2.92 2.35 4.77 -1.26 -4.68 117.00 112.28 2k3s n LEU 3 Ca 0.19 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 2k3s n LEU 3 Cb 0.45 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2k3s n LEU 3 CO 0.28 0.54 2.55 0.61 -1.33 0.00 0.00 177.39 180.03 2k3s n GLY 4 N 2.56 4.14 0.00 -0.72 0.00 -1.21 -4.67 105.19 105.29 2k3s n GLY 4 Ca -0.23 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2k3s n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3s n SER 5 N 2.62 0.00 0.06 1.61 2.88 -1.23 -2.04 113.62 117.52 2k3s n SER 5 Ca 0.63 0.39 0.02 0.00 -1.33 0.00 0.00 58.87 58.58 2k3s n SER 5 Cb 0.45 -0.12 0.39 0.00 -0.75 0.00 0.00 64.21 64.17 2k3s n SER 5 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2k3s h LYS 6 N 0.00 0.39 -0.81 -1.46 3.64 -1.94 -2.42 116.57 113.98 2k3s h LYS 6 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2k3s h LYS 6 Cb 0.00 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2k3s h LYS 6 CO 0.00 0.40 0.47 -0.97 -2.27 0.00 0.00 179.45 177.08 2k3s h ASN 7 N 0.38 0.98 -0.12 4.20 -0.73 -1.88 -2.76 115.58 115.65 2k3s h ASN 7 Ca 0.09 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.21 2k3s h ASN 7 Cb 0.22 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2k3s h ASN 7 CO 0.00 0.77 0.03 -0.03 -0.37 0.00 0.00 177.43 177.83 2k3s h MET 8 N 1.12 0.08 -0.05 6.67 4.05 -0.88 -2.17 114.93 123.74 2k3s h MET 8 Ca 0.29 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.66 2k3s h MET 8 Cb -0.02 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2k3s h MET 8 CO -0.05 0.05 -0.15 -0.07 0.23 0.00 0.00 176.91 176.93 2k3s h LEU 9 N 0.08 0.07 -0.14 3.39 3.38 -1.56 0.14 115.31 120.67 2k3s h LEU 9 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2k3s h LEU 9 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k3s h LEU 9 CO -0.06 0.23 0.01 0.25 0.09 0.00 0.00 178.44 178.96 2k3s h LEU 10 N 0.08 0.24 -0.58 1.67 5.85 -1.14 -1.84 115.31 119.59 2k3s h LEU 10 Ca 0.02 -0.29 -0.15 0.00 0.84 0.00 0.00 57.88 58.29 2k3s h LEU 10 Cb 0.31 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2k3s h LEU 10 CO 0.02 0.47 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.02 2k3s h GLU 11 N -0.00 0.56 0.20 1.25 4.57 -1.05 -2.21 114.58 117.89 2k3s h GLU 11 Ca 0.04 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2k3s h GLU 11 Cb 0.34 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2k3s h GLU 11 CO 0.01 0.92 -0.23 2.35 -1.18 0.00 0.00 179.01 180.88 2k3s h TRP 12 N 0.44 -0.62 -0.39 0.92 7.01 -0.61 0.25 115.95 122.95 2k3s h TRP 12 Ca 0.02 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.90 2k3s h TRP 12 Cb 1.02 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 2k3s h TRP 12 CO 0.04 -0.34 -0.25 0.00 -2.79 0.00 0.00 178.44 175.10 2k3s h ARG 14 N 0.69 0.97 -0.06 0.00 2.43 -1.12 -1.53 114.38 115.76 2k3s h ARG 14 Ca 0.09 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2k3s h ARG 14 Cb 0.78 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2k3s h ARG 14 CO 0.06 0.77 -0.40 0.00 -1.51 0.00 0.00 179.97 178.89 2k3s h ALA 15 N 1.15 1.22 0.00 2.80 0.00 -0.36 -2.34 119.26 121.74 2k3s h ALA 15 Ca 0.23 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k3s h ALA 15 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k3s h ALA 15 CO -0.03 0.55 -0.18 0.52 0.00 0.00 0.00 179.25 180.11 2k3s h MET 16 N 0.10 0.00 -0.62 0.00 2.86 -0.80 -2.84 114.93 113.63 2k3s h MET 16 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2k3s h MET 16 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2k3s h MET 16 CO 0.06 0.18 0.00 2.41 1.06 0.00 0.00 176.91 180.62 2k3s n THR 17 N -3.25 1.45 0.22 2.22 -1.04 -0.63 -4.35 114.28 108.90 2k3s n THR 17 Ca 0.01 -1.14 0.08 0.00 -2.04 0.00 0.00 64.05 60.97 2k3s n THR 17 Cb 0.47 0.29 0.47 0.00 -1.82 0.00 0.00 70.33 69.74 2k3s n THR 17 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2k3s h ARG 18 N 3.78 0.00 -0.75 -2.82 2.43 -1.18 -2.36 114.38 113.48 2k3s h ARG 18 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2k3s h ARG 18 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2k3s h ARG 18 CO 0.12 0.26 0.04 0.27 -1.51 0.00 0.00 179.97 179.16 2k3s n ASN 19 N -3.55 4.05 -4.42 -3.80 6.94 -1.26 -4.87 115.26 108.34 2k3s n ASN 19 Ca -0.01 -2.65 -0.28 0.00 -0.02 0.00 0.00 54.58 51.62 2k3s n ASN 19 Cb 0.41 -0.63 -0.12 0.00 -2.36 0.00 0.00 39.78 37.08 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2k3s s TYR 20 N -2.15 2.33 0.07 -2.53 1.51 -0.89 -5.14 117.35 110.54 2k3s s TYR 20 Ca 0.36 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 2k3s s TYR 20 Cb 0.28 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2k3s s TYR 20 CO 0.10 0.45 0.01 -1.21 -1.11 0.00 0.00 175.55 173.80 2k3s s GLU 21 N -2.49 2.64 0.00 -0.62 0.41 -1.26 -4.54 118.70 112.84 2k3s s GLU 21 Ca 0.19 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 2k3s s GLU 21 Cb -0.09 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 2k3s s GLU 21 CO 0.09 0.56 0.00 -2.39 -0.49 0.00 0.00 175.26 173.03 2k3s n HIS 22 N 0.69 0.00 -3.73 1.61 1.44 -1.26 -4.89 115.22 109.08 2k3s n HIS 22 Ca -0.11 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.25 2k3s n HIS 22 Cb 0.52 -1.03 -0.09 0.00 0.12 0.00 0.00 29.99 29.51 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2k3s s VAL 23 N -1.72 3.75 -0.38 0.61 1.01 -1.26 -5.03 120.40 117.37 2k3s s VAL 23 Ca 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 61.98 58.51 2k3s s VAL 23 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2k3s s VAL 23 CO 0.00 -0.94 0.21 -0.62 0.00 0.00 0.00 175.10 173.74 2k3s s ASP 24 N 0.17 5.65 -0.75 3.32 2.15 -1.26 -4.87 116.67 121.07 2k3s s ASP 24 Ca 0.21 -1.16 -0.25 0.00 0.43 0.00 0.00 52.55 51.77 2k3s s ASP 24 Cb -0.16 -1.99 0.05 0.00 -0.30 0.00 0.00 42.92 40.52 2k3s s ASP 24 CO -0.07 -0.42 1.21 -0.63 -0.17 0.00 0.00 175.17 175.09 2k3s s ILE 25 N 1.50 3.93 -0.24 4.11 1.01 -1.26 -4.69 121.20 125.55 2k3s s ILE 25 Ca 0.02 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2k3s s ILE 25 Cb -0.20 -4.87 -0.19 0.00 0.01 0.00 0.00 42.46 37.21 2k3s s ILE 25 CO 0.05 -1.75 -0.15 0.00 0.00 0.00 0.00 174.94 173.09 2k3s n GLN 26 N 8.81 0.66 -4.18 2.79 6.02 -1.26 -4.84 117.38 125.38 2k3s n GLN 26 Ca 0.04 0.11 -0.11 0.00 -0.01 0.00 0.00 57.00 57.03 2k3s n GLN 26 Cb 0.48 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 2k3s n GLN 26 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2k3s s ASN 27 N -6.23 0.47 -0.23 1.08 -0.87 -1.26 -5.04 114.94 102.85 2k3s s ASN 27 Ca -0.28 -1.24 0.01 0.00 -1.57 0.00 0.00 52.86 49.78 2k3s s ASN 27 Cb 0.08 0.27 0.25 0.00 -0.02 0.00 0.00 41.25 41.84 2k3s s ASN 27 CO 0.66 -0.72 1.64 0.49 -2.57 0.00 0.00 177.10 176.61 2k3s n PHE 28 N -0.16 1.36 0.18 2.20 3.72 -1.26 -3.87 117.46 119.63 2k3s n PHE 28 Ca -0.04 -1.40 0.00 0.00 -0.05 0.00 0.00 57.45 55.96 2k3s n PHE 28 Cb 0.64 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2k3s n PHE 28 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k3s n SER 29 N 0.05 -1.90 0.00 4.37 7.64 -1.26 -3.53 113.62 118.99 2k3s n SER 29 Ca 0.26 0.67 -0.10 0.00 1.01 0.00 0.00 58.87 60.71 2k3s n SER 29 Cb 0.83 1.91 -0.04 0.00 -1.01 0.00 0.00 64.21 65.90 2k3s n SER 29 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k3s h SER 30 N 0.00 -0.23 0.00 6.43 4.64 -1.89 -1.63 113.55 120.87 2k3s h SER 30 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2k3s h SER 30 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2k3s h SER 30 CO 0.00 -0.10 0.00 -1.20 -0.87 0.00 0.00 176.83 174.66 2k3s n SER 31 N -5.21 0.00 -0.15 4.97 7.64 -1.25 -2.91 113.62 116.71 2k3s n SER 31 Ca -0.04 -0.98 0.01 0.00 1.01 0.00 0.00 58.87 58.87 2k3s n SER 31 Cb 0.13 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2k3s n SER 31 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2k3s n TRP 32 N -0.96 0.10 -0.15 1.43 7.02 -0.67 -4.17 117.44 120.04 2k3s n TRP 32 Ca 0.20 -0.45 -0.10 0.00 -1.02 0.00 0.00 57.50 56.12 2k3s n TRP 32 Cb 0.09 -0.04 -0.01 0.00 -2.42 0.00 0.00 31.31 28.93 2k3s n TRP 32 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2k3s h SER 33 N 0.49 0.76 1.38 -0.99 4.64 -1.27 -2.70 113.55 115.85 2k3s h SER 33 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2k3s h SER 33 Cb 0.51 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2k3s h SER 33 CO 0.00 0.89 -0.15 0.77 -0.87 0.00 0.00 176.83 177.47 2k3s h SER 34 N 0.61 0.00 0.00 4.97 4.64 -1.83 -3.46 113.55 118.48 2k3s h SER 34 Ca 0.12 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2k3s h SER 34 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2k3s h SER 34 CO 0.02 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2k3s n GLY 35 N 1.30 0.60 0.32 -0.77 0.00 -1.02 -4.83 105.19 100.79 2k3s n GLY 35 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2k3s n GLY 35 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2k3s h MET 36 N 1.62 0.87 -0.59 1.61 2.86 -1.86 -2.37 114.93 117.07 2k3s h MET 36 Ca 0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2k3s h MET 36 Cb 0.10 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2k3s h MET 36 CO 0.00 0.70 0.37 0.00 1.06 0.00 0.00 176.91 179.05 2k3s h ALA 37 N 1.42 1.55 0.28 6.32 0.00 -1.90 0.38 119.26 127.31 2k3s h ALA 37 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k3s h ALA 37 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k3s h ALA 37 CO -0.02 0.40 -0.14 0.74 0.00 0.00 0.00 179.25 180.24 2k3s h PHE 38 N 0.80 -0.35 -0.86 0.00 0.04 -1.77 -0.65 116.94 114.15 2k3s h PHE 38 Ca 0.21 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 2k3s h PHE 38 Cb -0.07 0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 2k3s h PHE 38 CO 0.00 -0.15 0.42 0.00 -0.60 0.00 0.00 178.31 177.97 2k3s h ALA 40 N 1.23 0.70 -0.10 0.00 0.00 -0.77 -0.02 119.26 120.29 2k3s h ALA 40 Ca 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k3s h ALA 40 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k3s h ALA 40 CO -0.04 0.24 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 2k3s h LEU 41 N 0.73 0.19 -1.00 0.00 5.85 -0.81 -2.56 115.31 117.70 2k3s h LEU 41 Ca 0.19 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2k3s h LEU 41 Cb 0.08 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2k3s h LEU 41 CO -0.03 0.48 0.58 0.40 -0.34 0.00 0.00 178.44 179.53 2k3s h ILE 42 N -0.11 1.25 0.00 4.05 1.08 -1.12 -1.45 117.51 121.21 2k3s h ILE 42 Ca 0.03 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 2k3s h ILE 42 Cb 0.39 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2k3s h ILE 42 CO 0.01 0.26 -0.09 -0.74 -0.69 0.00 0.00 178.15 176.90 2k3s h HIS 43 N 1.29 0.00 0.00 1.37 2.76 -0.91 0.19 115.15 119.85 2k3s h HIS 43 Ca 0.34 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.47 2k3s h HIS 43 Cb -0.08 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2k3s h HIS 43 CO 0.00 0.09 -0.17 0.87 -1.30 0.00 0.00 177.93 177.43 2k3s h LYS 44 N 0.00 0.00 0.00 5.26 1.79 -0.83 -3.32 116.57 119.47 2k3s h LYS 44 Ca -0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 2k3s h LYS 44 Cb 0.36 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 2k3s h LYS 44 CO 0.01 0.17 -1.91 1.19 -1.08 0.00 0.00 179.45 177.83 2k3s n PHE 45 N -3.26 0.00 -3.91 -1.35 3.72 -0.74 -4.89 117.46 107.03 2k3s n PHE 45 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 2k3s n PHE 45 Cb 0.44 -0.63 -0.13 0.00 -0.94 0.00 0.00 39.48 38.22 2k3s n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2k3s s PHE 46 N -2.32 3.68 0.14 1.38 0.08 0.60 -4.95 117.98 116.60 2k3s s PHE 46 Ca -0.16 -2.75 0.18 0.00 0.12 0.00 0.00 56.93 54.32 2k3s s PHE 46 Cb 0.05 -3.06 0.60 0.00 -0.57 0.00 0.00 43.02 40.03 2k3s s PHE 46 CO 0.43 -0.96 1.69 -1.35 -0.10 0.00 0.00 175.22 174.94 2k3s h PRO 47 N 7.79 0.00 -0.01 0.24 0.11 -1.84 -2.92 132.00 135.36 2k3s h PRO 47 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2k3s h PRO 47 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2k3s h PRO 47 CO 0.60 0.40 -0.06 0.39 -0.21 0.00 0.00 178.00 179.13 2k3s n GLU 48 N -3.51 1.36 0.07 1.05 1.02 -1.26 -4.36 120.64 115.01 2k3s n GLU 48 Ca -0.00 -0.71 -0.03 0.00 -0.02 0.00 0.00 57.16 56.40 2k3s n GLU 48 Cb 0.54 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3s h ALA 49 N 4.13 -0.83 -2.91 0.62 0.00 -1.89 -3.48 119.26 114.90 2k3s h ALA 49 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k3s h ALA 49 Cb 0.44 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 2k3s h ALA 49 CO 0.00 -0.81 0.21 -0.59 0.00 0.00 0.00 179.25 178.06 2k3s s PHE 50 N -2.97 -0.54 -0.54 0.00 -0.12 -1.26 -5.09 117.98 107.46 2k3s s PHE 50 Ca -0.03 0.39 -0.22 0.00 -0.05 0.00 0.00 56.93 57.02 2k3s s PHE 50 Cb 0.00 0.55 0.05 0.00 -0.63 0.00 0.00 43.02 42.99 2k3s s PHE 50 CO 0.08 -0.83 0.82 -0.51 -0.05 0.00 0.00 175.22 174.73 2k3s s ASP 51 N -2.63 6.28 0.35 1.98 1.01 -1.26 -4.89 116.67 117.51 2k3s s ASP 51 Ca 0.00 -0.64 0.07 0.00 0.71 0.00 0.00 52.55 52.69 2k3s s ASP 51 Cb -0.01 -2.38 0.66 0.00 1.01 0.00 0.00 42.92 42.20 2k3s s ASP 51 CO -0.11 -1.11 1.86 0.22 0.21 0.00 0.00 175.17 176.23 2k3s h TYR 52 N 9.21 0.36 0.00 4.23 3.20 -1.97 -1.82 116.97 130.18 2k3s h TYR 52 Ca -0.27 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2k3s h TYR 52 Cb 1.08 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2k3s h TYR 52 CO 0.85 0.47 0.00 0.00 -1.64 0.00 0.00 178.16 177.85 2k3s h ALA 53 N 1.54 1.00 -0.59 1.82 0.00 -2.02 -1.25 119.26 119.76 2k3s h ALA 53 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k3s h ALA 53 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k3s h ALA 53 CO 0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.67 2k3s n GLU 54 N -3.07 2.64 -3.10 0.00 4.71 -0.69 -4.94 120.64 116.19 2k3s n GLU 54 Ca -0.01 -2.49 -0.39 0.00 -0.01 0.00 0.00 57.16 54.25 2k3s n GLU 54 Cb 0.20 -1.53 -0.05 0.00 -1.01 0.00 0.00 31.44 29.05 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k3s s LEU 55 N -1.15 4.42 -0.09 -4.62 1.43 -0.47 -5.04 118.68 113.16 2k3s s LEU 55 Ca 0.44 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.85 2k3s s LEU 55 Cb 0.24 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2k3s s LEU 55 CO 0.31 0.05 -0.16 -0.62 0.23 0.00 0.00 176.35 176.16 2k3s s ASP 56 N -0.06 3.78 0.65 2.29 -1.08 -1.26 -5.00 116.67 115.98 2k3s s ASP 56 Ca 0.35 -0.33 0.32 0.00 -0.52 0.00 0.00 52.55 52.37 2k3s s ASP 56 Cb -0.19 -1.19 1.75 0.00 -1.46 0.00 0.00 42.92 41.83 2k3s s ASP 56 CO 0.20 0.24 2.02 -0.65 0.52 0.00 0.00 175.17 177.50 2k3s h PRO 57 N 6.12 0.00 0.00 4.34 0.11 -1.99 0.36 132.00 140.94 2k3s h PRO 57 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 2k3s h PRO 57 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k3s h PRO 57 CO 0.52 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.23 2k3s h ALA 58 N 1.52 1.23 -0.96 -0.75 0.00 -2.02 -1.55 119.26 116.72 2k3s h ALA 58 Ca 0.04 -0.07 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 2k3s h ALA 58 Cb 0.59 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.07 2k3s h ALA 58 CO -0.00 0.09 0.67 1.63 0.00 0.00 0.00 179.25 181.64 2k3s n LYS 59 N -3.50 2.26 -0.34 0.00 5.02 0.12 -4.61 118.16 117.10 2k3s n LYS 59 Ca -0.02 -2.93 0.07 0.00 -2.02 0.00 0.00 58.31 53.41 2k3s n LYS 59 Cb 0.21 -2.15 0.26 0.00 -0.02 0.00 0.00 35.03 33.32 2k3s n LYS 59 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2k3s h ARG 60 N 1.10 0.94 0.00 1.97 1.12 -1.43 0.44 114.38 118.53 2k3s h ARG 60 Ca 0.61 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.43 2k3s h ARG 60 Cb 2.52 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 32.27 2k3s h ARG 60 CO 1.13 0.62 0.00 2.89 -3.11 0.00 0.00 179.97 181.50 2k3s n ARG 61 N -4.59 0.17 -0.01 0.20 1.85 -1.26 -2.73 116.66 110.29 2k3s n ARG 61 Ca 0.18 0.29 0.08 0.00 -1.00 0.00 0.00 57.85 57.40 2k3s n ARG 61 Cb 0.35 -1.76 -0.12 0.00 -1.05 0.00 0.00 32.46 29.87 2k3s n ARG 61 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2k3s n HIS 62 N -2.07 0.00 -0.25 2.89 -0.00 0.28 -4.45 115.22 111.61 2k3s n HIS 62 Ca 0.04 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.16 2k3s n HIS 62 Cb 0.29 -0.35 0.05 0.00 -0.12 0.00 0.00 29.99 29.86 2k3s n HIS 62 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2k3s h ASN 63 N 0.00 0.94 -0.25 0.26 4.21 -0.05 0.55 115.58 121.25 2k3s h ASN 63 Ca 0.00 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.36 2k3s h ASN 63 Cb 0.72 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 2k3s h ASN 63 CO 0.00 0.83 0.16 -0.26 -1.29 0.00 0.00 177.43 176.87 2k3s h PHE 64 N 0.99 0.32 -0.37 1.19 0.04 -1.78 -0.04 116.94 117.30 2k3s h PHE 64 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 2k3s h PHE 64 Cb 0.16 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2k3s h PHE 64 CO 0.01 0.23 0.20 1.15 -0.60 0.00 0.00 178.31 179.30 2k3s h THR 65 N 0.33 1.14 -0.17 -1.55 2.02 -1.70 0.74 112.91 113.71 2k3s h THR 65 Ca 0.09 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.93 2k3s h THR 65 Cb -0.01 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2k3s h THR 65 CO -0.02 0.15 0.03 0.25 0.37 0.00 0.00 175.52 176.30 2k3s h LEU 66 N 0.47 0.00 0.08 2.58 5.85 -0.61 0.32 115.31 124.00 2k3s h LEU 66 Ca 0.13 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2k3s h LEU 66 Cb 0.05 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2k3s h LEU 66 CO -0.02 0.03 -0.04 0.00 -0.34 0.00 0.00 178.44 178.07 2k3s h ALA 67 N 1.13 -0.10 0.59 1.25 0.00 -0.82 -2.62 119.26 118.68 2k3s h ALA 67 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k3s h ALA 67 Cb 0.07 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k3s h ALA 67 CO -0.11 -0.45 -0.28 0.74 0.00 0.00 0.00 179.25 179.15 2k3s h PHE 68 N -0.32 -0.74 -1.00 0.00 0.04 -0.71 -1.78 116.94 112.43 2k3s h PHE 68 Ca -0.01 -0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.88 2k3s h PHE 68 Cb 0.28 0.24 -0.09 0.00 2.20 0.00 0.00 35.95 38.58 2k3s h PHE 68 CO -0.00 -0.42 0.62 0.77 -0.60 0.00 0.00 178.31 178.69 2k3s h SER 69 N -0.92 0.89 -0.27 2.17 0.02 -0.45 0.45 113.55 115.45 2k3s h SER 69 Ca -0.08 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2k3s h SER 69 Cb 0.65 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2k3s h SER 69 CO 0.13 0.45 -0.17 0.74 -1.14 0.00 0.00 176.83 176.84 2k3s h THR 70 N 0.94 1.30 -0.33 -2.27 2.02 -1.43 -2.15 112.91 111.00 2k3s h THR 70 Ca 0.51 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 2k3s h THR 70 Cb 0.57 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2k3s h THR 70 CO -0.29 0.41 -0.16 0.00 0.37 0.00 0.00 175.52 175.85 2k3s h ALA 71 N 0.72 1.11 0.00 6.16 0.00 -0.37 0.24 119.26 127.12 2k3s h ALA 71 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k3s h ALA 71 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k3s h ALA 71 CO 0.05 0.55 0.00 0.93 0.00 0.00 0.00 179.25 180.78 2k3s h GLU 72 N 0.54 0.00 0.00 0.00 5.08 -0.02 0.11 114.58 120.28 2k3s h GLU 72 Ca 0.09 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.04 2k3s h GLU 72 Cb 0.58 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2k3s h GLU 72 CO 0.04 0.00 -2.44 1.17 -1.00 0.00 0.00 179.01 176.78 2k3s n LYS 73 N -2.53 0.58 0.12 2.33 4.81 -0.70 -3.35 118.16 119.41 2k3s n LYS 73 Ca 0.02 0.20 -0.20 0.00 -0.87 0.00 0.00 58.31 57.46 2k3s n LYS 73 Cb 0.27 -1.46 -0.15 0.00 0.02 0.00 0.00 35.03 33.71 2k3s n LYS 73 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k3s h LEU 74 N -0.56 0.59 -0.06 3.14 3.38 -0.60 -3.37 115.31 117.83 2k3s h LEU 74 Ca -0.62 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 56.69 2k3s h LEU 74 Cb 1.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2k3s h LEU 74 CO -0.28 1.52 -0.34 0.00 0.09 0.00 0.00 178.44 179.43 2k3s n ALA 75 N -2.63 2.97 -3.51 1.53 0.00 -0.02 -5.02 120.51 113.84 2k3s n ALA 75 Ca -0.13 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 2k3s n ALA 75 Cb 1.06 -0.28 0.07 0.00 0.00 0.00 0.00 19.45 20.30 2k3s n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k3s n ASP 76 N -1.10 -2.47 -4.79 0.00 2.03 0.16 -4.95 116.55 105.43 2k3s n ASP 76 Ca 0.02 -0.71 -0.36 0.00 0.52 0.00 0.00 54.79 54.25 2k3s n ASP 76 Cb 0.12 -4.72 -0.06 0.00 -0.72 0.00 0.00 41.12 35.74 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k3s s ALA 78 N -1.68 3.47 -1.07 0.00 0.00 -1.26 -4.58 121.76 116.64 2k3s s ALA 78 Ca 0.52 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 2k3s s ALA 78 Cb -0.18 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2k3s s ALA 78 CO 0.23 -0.72 1.83 1.14 0.00 0.00 0.00 175.76 178.24 2k3s s GLN 79 N 2.11 2.91 0.00 0.00 1.03 -1.26 -4.71 119.66 119.74 2k3s s GLN 79 Ca 0.55 -0.95 0.19 0.00 0.04 0.00 0.00 55.36 55.19 2k3s s GLN 79 Cb -0.24 -5.24 0.76 0.00 0.03 0.00 0.00 33.01 28.32 2k3s s GLN 79 CO 0.22 -3.22 1.54 1.28 -2.54 0.00 0.00 175.29 172.57 2k3s n LEU 80 N 12.47 1.36 -3.88 2.60 4.77 -1.26 -4.83 117.00 128.24 2k3s n LEU 80 Ca 0.42 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2k3s n LEU 80 Cb 0.47 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2k3s n LEU 80 CO 0.66 0.29 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.98 2k3s s LEU 81 N -1.51 1.79 -0.21 2.23 1.43 -1.26 -5.01 118.68 116.14 2k3s s LEU 81 Ca 0.30 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 2k3s s LEU 81 Cb 0.16 0.32 -0.05 0.00 0.03 0.00 0.00 46.19 46.65 2k3s s LEU 81 CO 0.24 -0.16 0.16 -1.61 0.23 0.00 0.00 176.35 175.21 2k3s s GLU 82 N -0.61 4.17 0.12 1.70 2.02 -1.26 -5.01 118.70 119.82 2k3s s GLU 82 Ca -0.07 -0.18 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 2k3s s GLU 82 Cb -0.04 -3.46 -0.09 0.00 0.10 0.00 0.00 34.13 30.64 2k3s s GLU 82 CO 0.00 0.22 1.59 0.28 0.02 0.00 0.00 175.26 177.37 2k3s h VAL 83 N 4.78 0.16 -0.99 2.63 2.07 -1.98 -0.78 116.25 122.15 2k3s h VAL 83 Ca -0.40 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2k3s h VAL 83 Cb 1.16 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2k3s h VAL 83 CO 0.73 0.00 0.65 -0.78 0.02 0.00 0.00 177.57 178.19 2k3s h ASP 84 N -0.62 1.07 -0.78 0.57 3.58 -1.95 -1.60 116.42 116.70 2k3s h ASP 84 Ca 0.03 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2k3s h ASP 84 Cb 0.67 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2k3s h ASP 84 CO -0.27 0.73 0.38 -0.78 -2.88 0.00 0.00 179.24 176.42 2k3s h ASP 85 N 1.24 1.01 0.28 2.28 3.58 -1.85 -0.02 116.42 122.94 2k3s h ASP 85 Ca 0.40 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.61 2k3s h ASP 85 Cb 0.02 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2k3s h ASP 85 CO -0.13 0.86 -0.41 0.24 -2.88 0.00 0.00 179.24 176.93 2k3s h MET 86 N 1.09 0.17 -0.10 0.28 2.86 -0.45 -0.39 114.93 118.38 2k3s h MET 86 Ca 0.27 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 2k3s h MET 86 Cb 0.11 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2k3s h MET 86 CO -0.03 0.55 -0.15 0.28 1.06 0.00 0.00 176.91 178.62 2k3s h VAL 87 N 0.14 1.38 -0.27 -2.22 2.07 -0.59 0.37 116.25 117.13 2k3s h VAL 87 Ca 0.01 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2k3s h VAL 87 Cb 0.78 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2k3s h VAL 87 CO 0.06 0.39 -0.16 0.08 0.02 0.00 0.00 177.57 177.96 2k3s h ARG 88 N -0.14 0.58 -0.02 1.57 0.11 -0.93 -3.17 114.38 112.37 2k3s h ARG 88 Ca 0.01 -0.27 -0.16 0.00 0.10 0.00 0.00 59.98 59.66 2k3s h ARG 88 Cb 0.70 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 2k3s h ARG 88 CO 0.03 0.84 -0.73 -0.07 0.10 0.00 0.00 179.97 180.15 2k3s h LEU 89 N 0.31 0.19 0.00 0.08 3.38 -1.15 -3.47 115.31 114.65 2k3s h LEU 89 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k3s h LEU 89 Cb 0.69 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k3s h LEU 89 CO 0.05 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.43 2k3s n ALA 90 N -2.45 0.00 -2.50 1.53 0.00 0.12 -4.84 120.51 112.37 2k3s n ALA 90 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2k3s n ALA 90 Cb 0.70 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.06 2k3s n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k3s s VAL 91 N 0.00 5.21 0.15 0.00 1.01 -1.26 -4.28 120.40 121.23 2k3s s VAL 91 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 2k3s s VAL 91 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2k3s s VAL 91 CO 0.00 -0.22 0.86 -2.16 0.00 0.00 0.00 175.10 173.58 2k3s s PRO 92 N 1.85 4.66 0.20 2.72 0.04 -1.26 -5.01 135.00 138.20 2k3s s PRO 92 Ca 0.08 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 2k3s s PRO 92 Cb -0.18 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 30.95 2k3s s PRO 92 CO 0.11 0.42 1.52 -0.51 0.04 0.00 0.00 177.00 178.58 2k3s s ASP 93 N -0.69 6.61 0.37 6.66 1.11 -1.26 -4.30 116.67 125.16 2k3s s ASP 93 Ca 0.40 2.64 0.07 0.00 0.18 0.00 0.00 52.55 55.84 2k3s s ASP 93 Cb -0.23 -2.61 0.78 0.00 1.07 0.00 0.00 42.92 41.93 2k3s s ASP 93 CO 0.28 -0.78 1.96 0.28 1.18 0.00 0.00 175.17 178.08 2k3s h SER 94 N 6.08 0.63 0.38 0.27 0.02 -1.95 -1.72 113.55 117.26 2k3s h SER 94 Ca -0.44 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2k3s h SER 94 Cb 1.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2k3s h SER 94 CO 0.86 0.40 -0.18 0.50 -1.14 0.00 0.00 176.83 177.27 2k3s h LYS 95 N 0.71 -0.50 -0.88 3.45 3.64 -1.90 0.41 116.57 121.51 2k3s h LYS 95 Ca 0.32 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 2k3s h LYS 95 Cb 0.31 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 2k3s h LYS 95 CO -0.11 -0.27 0.55 0.00 -2.27 0.00 0.00 179.45 177.36 2k3s h VAL 97 N 1.03 1.25 -0.22 0.00 2.07 -1.22 -2.70 116.25 116.46 2k3s h VAL 97 Ca 0.37 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2k3s h VAL 97 Cb 0.11 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2k3s h VAL 97 CO -0.15 0.29 0.14 0.22 0.02 0.00 0.00 177.57 178.09 2k3s h TYR 98 N 0.36 0.26 -0.83 1.57 3.20 -0.22 -0.78 116.97 120.53 2k3s h TYR 98 Ca 0.09 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2k3s h TYR 98 Cb 0.40 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 2k3s h TYR 98 CO 0.03 0.16 0.51 1.15 -1.64 0.00 0.00 178.16 178.37 2k3s h THR 99 N 0.28 1.03 -0.25 1.81 2.02 -1.03 0.41 112.91 117.18 2k3s h THR 99 Ca 0.08 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2k3s h THR 99 Cb -0.02 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2k3s h THR 99 CO -0.03 0.17 0.06 0.22 0.37 0.00 0.00 175.52 176.32 2k3s h TYR 100 N 0.93 0.43 -0.50 3.16 3.20 -1.12 -2.48 116.97 120.58 2k3s h TYR 100 Ca 0.36 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 2k3s h TYR 100 Cb 0.17 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2k3s h TYR 100 CO -0.04 0.49 -0.01 0.82 -1.64 0.00 0.00 178.16 177.79 2k3s h ILE 101 N 0.23 1.25 -0.32 1.81 1.08 -0.52 -0.97 117.51 120.08 2k3s h ILE 101 Ca 0.08 -1.05 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 2k3s h ILE 101 Cb 0.28 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 2k3s h ILE 101 CO 0.00 0.37 0.16 -0.61 -0.69 0.00 0.00 178.15 177.39 2k3s h GLN 102 N 0.79 0.33 -0.13 2.37 4.15 -0.02 0.17 115.11 122.76 2k3s h GLN 102 Ca 0.15 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.37 2k3s h GLN 102 Cb 0.48 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2k3s h GLN 102 CO 0.02 0.22 -0.65 0.93 -1.93 0.00 0.00 178.83 177.42 2k3s h GLU 103 N 0.34 0.52 -0.22 1.69 4.39 -1.31 -3.00 114.58 117.00 2k3s h GLU 103 Ca 0.13 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 2k3s h GLU 103 Cb 0.03 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k3s h GLU 103 CO -0.08 1.00 -0.15 1.25 -1.16 0.00 0.00 179.01 179.87 2k3s h LEU 104 N 0.37 0.35 -1.41 1.33 5.85 -0.82 -2.07 115.31 118.91 2k3s h LEU 104 Ca -0.02 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2k3s h LEU 104 Cb 1.22 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2k3s h LEU 104 CO 0.12 0.52 0.13 0.22 -0.34 0.00 0.00 178.44 179.10 2k3s h TYR 105 N 0.34 0.52 -0.35 1.25 3.20 -0.54 -2.50 116.97 118.89 2k3s h TYR 105 Ca 0.06 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2k3s h TYR 105 Cb 0.46 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2k3s h TYR 105 CO 0.01 0.43 0.20 -0.09 -1.64 0.00 0.00 178.16 177.07 2k3s h ARG 106 N 0.53 0.49 -0.10 1.82 2.43 -1.31 -1.71 114.38 116.51 2k3s h ARG 106 Ca 0.13 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2k3s h ARG 106 Cb 0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2k3s h ARG 106 CO -0.01 0.39 0.01 0.77 -1.51 0.00 0.00 179.97 179.61 2k3s h SER 107 N 0.45 0.12 1.02 -3.80 0.02 -1.43 -1.24 113.55 108.69 2k3s h SER 107 Ca 0.13 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2k3s h SER 107 Cb 0.04 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2k3s h SER 107 CO -0.02 0.15 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.16 2k3s h LEU 108 N 0.14 0.00 0.05 5.07 3.38 -1.15 -2.59 115.31 120.21 2k3s h LEU 108 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k3s h LEU 108 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k3s h LEU 108 CO 0.00 0.58 -0.03 0.58 0.09 0.00 0.00 178.44 179.67 2k3s h VAL 109 N 0.00 1.27 0.00 1.22 2.07 -0.37 -0.28 116.25 120.16 2k3s h VAL 109 Ca -0.01 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2k3s h VAL 109 Cb 1.25 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2k3s h VAL 109 CO 0.08 0.29 -0.15 0.06 0.02 0.00 0.00 177.57 177.87 2k3s h GLN 110 N -0.61 0.00 -0.00 1.57 3.07 -1.51 -0.64 115.11 116.98 2k3s h GLN 110 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2k3s h GLN 110 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2k3s h GLN 110 CO 0.01 0.15 -0.10 1.17 0.09 0.00 0.00 178.83 180.15 2k3s n LYS 111 N -3.72 0.46 -2.06 0.06 3.00 -0.98 -4.91 118.16 110.01 2k3s n LYS 111 Ca -0.02 -0.12 -0.14 0.00 -0.00 0.00 0.00 58.31 58.03 2k3s n LYS 111 Cb 0.26 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.77 2k3s n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3s n GLY 112 N 1.33 0.19 0.09 3.14 0.00 -0.25 -4.90 105.19 104.80 2k3s n GLY 112 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2k3s n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3s n LEU 113 N -1.92 0.81 -0.16 0.99 4.77 -0.15 -4.17 117.00 117.17 2k3s n LEU 113 Ca -0.16 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 2k3s n LEU 113 Cb 0.59 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2k3s n LEU 113 CO 0.20 0.12 0.81 0.58 -1.33 0.00 0.00 177.39 177.76 2k3s h VAL 114 N 0.00 1.26 -0.14 4.08 2.07 -1.83 -2.82 116.25 118.88 2k3s h VAL 114 Ca -0.16 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 2k3s h VAL 114 Cb 1.54 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2k3s h VAL 114 CO 0.04 0.35 0.07 2.29 0.02 0.00 0.00 177.57 180.34 2k3s n LYS 115 N -4.39 1.34 0.12 1.57 2.85 -1.26 -4.03 118.16 114.36 2k3s n LYS 115 Ca 0.00 -0.48 0.12 0.00 -1.05 0.00 0.00 58.31 56.90 2k3s n LYS 115 Cb 0.29 -1.33 0.48 0.00 -0.65 0.00 0.00 35.03 33.82 2k3s n LYS 115 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2k3s n THR 116 N 0.19 0.80 1.29 0.58 5.66 -1.06 -1.65 114.28 120.08 2k3s n THR 116 Ca 0.08 0.17 0.13 0.00 -3.05 0.00 0.00 64.05 61.38 2k3s n THR 116 Cb 0.59 -1.09 0.45 0.00 -1.55 0.00 0.00 70.33 68.73 2k3s n THR 116 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k3s n LYS 117 N -2.22 0.78 -4.19 1.09 4.76 -1.26 -4.86 118.16 112.26 2k3s n LYS 117 Ca 0.03 -0.41 -0.29 0.00 -2.87 0.00 0.00 58.31 54.77 2k3s n LYS 117 Cb 0.25 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 2k3s n LYS 117 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k3s s LYS 118 N -2.50 2.31 0.00 1.97 1.02 -0.66 -5.26 119.74 116.62 2k3s s LYS 118 Ca 0.26 -0.99 0.13 0.00 0.02 0.00 0.00 55.97 55.39 2k3s s LYS 118 Cb 0.19 -2.39 0.10 0.00 -0.52 0.00 0.00 37.83 35.22 2k3s s LYS 118 CO 0.51 0.51 0.91 1.63 -0.92 0.00 0.00 175.35 177.99