#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 0.46 -3.70 1.61 0.11 -2.07 -3.34 132.00 125.07 2k3s h PRO 2 Ca 0.00 -0.06 -0.78 0.00 0.11 0.00 0.00 66.00 65.28 2k3s h PRO 2 Cb 0.00 -0.09 -0.28 0.00 0.11 0.00 0.00 31.00 30.74 2k3s h PRO 2 CO 0.00 0.40 0.13 -0.51 -0.21 0.00 0.00 178.00 177.80 2k3s s LEU 3 N -9.25 6.42 0.00 2.35 1.43 -1.26 -4.64 118.68 113.74 2k3s s LEU 3 Ca -0.07 -3.01 0.00 0.00 -1.03 0.00 0.00 54.13 50.02 2k3s s LEU 3 Cb 0.17 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2k3s s LEU 3 CO 0.74 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2k3s n GLY 4 N 3.49 0.25 0.16 -3.19 0.00 -1.25 -5.02 105.19 99.63 2k3s n GLY 4 Ca 0.16 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.87 2k3s n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3s h SER 5 N 0.00 0.00 -0.34 1.61 4.64 -1.82 -2.98 113.55 114.66 2k3s h SER 5 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2k3s h SER 5 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2k3s h SER 5 CO 0.00 0.49 -0.04 0.11 -0.87 0.00 0.00 176.83 176.51 2k3s h LYS 6 N 0.00 0.74 0.00 4.77 1.57 -1.96 -2.46 116.57 119.23 2k3s h LYS 6 Ca -0.00 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2k3s h LYS 6 Cb 0.95 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 2k3s h LYS 6 CO 0.06 0.78 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.65 2k3s h ASN 7 N 0.68 0.00 -0.22 0.86 2.35 -1.92 0.15 115.58 117.48 2k3s h ASN 7 Ca 0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2k3s h ASN 7 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2k3s h ASN 7 CO 0.02 0.16 -0.03 -0.03 -1.65 0.00 0.00 177.43 175.91 2k3s h MET 8 N 0.00 0.41 -0.22 0.81 4.05 -1.49 -0.26 114.93 118.23 2k3s h MET 8 Ca -0.00 -0.15 -0.17 0.00 -0.28 0.00 0.00 59.70 59.10 2k3s h MET 8 Cb 0.30 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2k3s h MET 8 CO 0.02 0.63 -0.55 -0.07 0.23 0.00 0.00 176.91 177.18 2k3s h LEU 9 N 0.16 0.72 0.04 3.39 3.38 -1.39 -1.72 115.31 119.89 2k3s h LEU 9 Ca 0.06 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2k3s h LEU 9 Cb 0.47 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k3s h LEU 9 CO 0.02 1.13 -0.02 0.25 0.09 0.00 0.00 178.44 179.90 2k3s h LEU 10 N 0.50 -0.05 -0.32 1.67 5.85 -0.62 0.22 115.31 122.57 2k3s h LEU 10 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3s h LEU 10 Cb 1.11 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2k3s h LEU 10 CO 0.11 -0.03 0.12 -0.08 -0.34 0.00 0.00 178.44 178.22 2k3s h GLU 11 N -0.07 0.48 -0.21 1.25 4.22 -1.04 0.19 114.58 119.40 2k3s h GLU 11 Ca -0.01 -0.09 0.04 0.00 0.08 0.00 0.00 59.36 59.38 2k3s h GLU 11 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2k3s h GLU 11 CO 0.01 0.50 -0.05 2.35 -2.18 0.00 0.00 179.01 179.64 2k3s h TRP 12 N 0.36 -0.10 -0.14 0.92 7.01 -1.14 0.46 115.95 123.32 2k3s h TRP 12 Ca 0.10 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 2k3s h TRP 12 Cb 0.20 0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.34 2k3s h TRP 12 CO -0.00 -0.08 -0.06 0.00 -2.79 0.00 0.00 178.44 175.51 2k3s h ARG 14 N -0.04 0.74 -0.68 0.00 2.43 -0.35 0.33 114.38 116.82 2k3s h ARG 14 Ca 0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2k3s h ARG 14 Cb 0.51 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2k3s h ARG 14 CO 0.02 0.49 0.33 0.00 -1.51 0.00 0.00 179.97 179.30 2k3s h ALA 15 N 1.43 0.87 0.18 2.80 0.00 -0.90 -0.84 119.26 122.80 2k3s h ALA 15 Ca 0.37 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 2k3s h ALA 15 Cb 0.32 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k3s h ALA 15 CO -0.23 0.43 -1.36 1.98 0.00 0.00 0.00 179.25 180.06 2k3s h MET 16 N 0.94 0.38 0.00 0.00 1.85 -1.26 -3.24 114.93 113.60 2k3s h MET 16 Ca 0.23 -0.65 0.00 0.00 -0.61 0.00 0.00 59.70 58.68 2k3s h MET 16 Cb 0.11 0.24 0.00 0.00 0.43 0.00 0.00 31.60 32.38 2k3s h MET 16 CO -0.03 1.30 0.00 2.41 -0.40 0.00 0.00 176.91 180.19 2k3s n THR 17 N -3.60 0.36 0.31 -0.77 -1.04 0.11 -3.04 114.28 106.61 2k3s n THR 17 Ca -0.13 0.07 0.18 0.00 -2.04 0.00 0.00 64.05 62.13 2k3s n THR 17 Cb 1.06 -0.68 0.99 0.00 -1.82 0.00 0.00 70.33 69.89 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 0.00 0.00 0.00 -2.82 2.43 -1.18 0.07 114.38 112.89 2k3s h ARG 18 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2k3s h ARG 18 Cb 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2k3s h ARG 18 CO 0.00 0.01 -0.21 -0.97 -1.51 0.00 0.00 179.97 177.30 2k3s h ASN 19 N 0.00 0.00 -3.57 -3.80 -0.73 -1.76 -3.41 115.58 102.31 2k3s h ASN 19 Ca -0.00 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 57.56 2k3s h ASN 19 Cb 0.05 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.52 2k3s h ASN 19 CO 0.00 0.21 -0.05 -0.31 -0.37 0.00 0.00 177.43 176.91 2k3s s TYR 20 N -3.89 3.29 0.48 0.67 2.02 0.01 -5.06 117.35 114.87 2k3s s TYR 20 Ca -0.01 0.64 -0.19 0.00 -0.37 0.00 0.00 57.07 57.14 2k3s s TYR 20 Cb 0.12 -2.69 -0.09 0.00 -0.40 0.00 0.00 41.96 38.90 2k3s s TYR 20 CO 0.62 -0.24 0.99 -1.21 -1.57 0.00 0.00 175.55 174.15 2k3s s GLU 21 N 2.14 3.97 0.00 -0.62 8.01 -1.26 -3.50 118.70 127.43 2k3s s GLU 21 Ca 0.21 1.13 0.00 0.00 0.01 0.00 0.00 54.97 56.31 2k3s s GLU 21 Cb -0.16 -2.13 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 2k3s s GLU 21 CO 0.09 -0.26 0.00 1.58 0.01 0.00 0.00 175.26 176.68 2k3s n HIS 22 N -1.13 0.00 -3.65 1.61 -0.00 -1.26 -4.91 115.22 105.88 2k3s n HIS 22 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.43 2k3s n HIS 22 Cb 0.54 -0.25 -0.07 0.00 -0.00 0.00 0.00 29.99 30.20 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2k3s s VAL 23 N -2.48 4.18 0.17 3.57 1.01 -1.23 -5.06 120.40 120.55 2k3s s VAL 23 Ca 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 61.98 58.55 2k3s s VAL 23 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2k3s s VAL 23 CO 0.00 -1.00 0.35 1.51 0.00 0.00 0.00 175.10 175.96 2k3s s ASP 24 N 0.32 6.40 -0.28 3.32 -4.77 -1.26 -4.78 116.67 115.62 2k3s s ASP 24 Ca 0.23 0.39 0.03 0.00 -3.30 0.00 0.00 52.55 49.90 2k3s s ASP 24 Cb -0.13 -2.01 0.07 0.00 -1.09 0.00 0.00 42.92 39.77 2k3s s ASP 24 CO -0.09 0.01 -0.07 -0.63 0.70 0.00 0.00 175.17 175.09 2k3s s ILE 25 N -1.77 2.19 -0.16 2.11 1.01 -1.26 -4.83 121.20 118.49 2k3s s ILE 25 Ca 0.38 -1.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.10 2k3s s ILE 25 Cb -0.11 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 2k3s s ILE 25 CO 0.28 -0.16 -0.17 1.67 0.00 0.00 0.00 174.94 176.55 2k3s n GLN 26 N 4.39 0.48 -3.97 2.79 7.27 -1.26 -5.00 117.38 122.08 2k3s n GLN 26 Ca -0.10 0.46 -0.09 0.00 0.07 0.00 0.00 57.00 57.34 2k3s n GLN 26 Cb 0.42 -1.64 -0.06 0.00 2.41 0.00 0.00 30.24 31.37 2k3s n GLN 26 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k3s s ASN 27 N -5.95 -0.06 -0.03 1.69 2.47 -1.26 -5.04 114.94 106.75 2k3s s ASN 27 Ca -0.20 -0.88 -0.05 0.00 0.42 0.00 0.00 52.86 52.14 2k3s s ASN 27 Cb 0.03 0.53 -0.24 0.00 -1.45 0.00 0.00 41.25 40.12 2k3s s ASN 27 CO 0.31 -1.04 3.29 0.49 -3.72 0.00 0.00 177.10 176.43 2k3s n PHE 28 N -0.32 0.05 0.00 0.43 3.72 -1.26 -3.74 117.46 116.33 2k3s n PHE 28 Ca -0.04 -1.37 0.00 0.00 -0.05 0.00 0.00 57.45 55.99 2k3s n PHE 28 Cb 0.63 -1.49 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 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 2.58 0.00 -0.06 4.37 7.64 -1.26 -3.56 113.62 123.32 2k3s n SER 29 Ca 0.39 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.17 2k3s n SER 29 Cb 0.81 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 2k3s n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3s h SER 30 N 0.00 0.29 0.44 6.43 0.02 -1.87 -2.13 113.55 116.72 2k3s h SER 30 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2k3s h SER 30 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k3s h SER 30 CO 0.00 0.26 0.00 -1.54 -1.14 0.00 0.00 176.83 174.41 2k3s n SER 31 N -4.89 0.17 -0.48 3.07 3.41 -1.25 -1.81 113.62 111.85 2k3s n SER 31 Ca -0.03 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 2k3s n SER 31 Cb 0.06 -0.58 0.02 0.00 -0.26 0.00 0.00 64.21 63.44 2k3s n SER 31 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2k3s n TRP 32 N -1.70 0.00 0.27 7.33 7.02 -0.85 -4.34 117.44 125.17 2k3s n TRP 32 Ca 0.02 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.66 2k3s n TRP 32 Cb 0.15 0.00 0.68 0.00 -2.42 0.00 0.00 31.31 29.72 2k3s n TRP 32 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 2k3s h SER 33 N 2.38 0.00 1.56 -0.99 0.02 -0.85 -2.03 113.55 113.64 2k3s h SER 33 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2k3s h SER 33 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2k3s h SER 33 CO 0.00 0.07 -0.45 0.77 -1.14 0.00 0.00 176.83 176.08 2k3s h SER 34 N 0.00 0.00 0.00 3.07 4.64 -1.76 -3.47 113.55 116.04 2k3s h SER 34 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3s h SER 34 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2k3s h SER 34 CO 0.01 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 2k3s n GLY 35 N 1.18 2.61 0.24 -0.77 0.00 -0.76 -4.83 105.19 102.87 2k3s n GLY 35 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 1.79 0.00 -0.11 1.61 2.86 -1.86 -2.41 114.93 116.81 2k3s h MET 36 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2k3s h MET 36 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2k3s h MET 36 CO 0.00 0.18 -0.50 0.00 1.06 0.00 0.00 176.91 177.65 2k3s h ALA 37 N 1.82 0.95 0.49 6.32 0.00 -1.88 -1.96 119.26 125.01 2k3s h ALA 37 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2k3s h ALA 37 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k3s h ALA 37 CO 0.02 0.66 -0.24 0.74 0.00 0.00 0.00 179.25 180.44 2k3s h PHE 38 N 0.23 -0.61 -0.10 0.00 0.04 -1.80 -2.45 116.94 112.25 2k3s h PHE 38 Ca 0.01 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2k3s h PHE 38 Cb 0.96 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 2k3s h PHE 38 CO 0.02 -0.31 -0.24 0.00 -0.60 0.00 0.00 178.31 177.19 2k3s h ALA 40 N 1.60 0.02 -0.72 0.00 0.00 -1.25 0.76 119.26 119.67 2k3s h ALA 40 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2k3s h ALA 40 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k3s h ALA 40 CO 0.04 -0.47 0.20 1.25 0.00 0.00 0.00 179.25 180.27 2k3s h LEU 41 N -0.01 1.08 -0.19 0.00 5.85 -1.29 0.18 115.31 120.93 2k3s h LEU 41 Ca 0.01 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2k3s h LEU 41 Cb 0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2k3s h LEU 41 CO -0.00 1.02 0.04 0.40 -0.34 0.00 0.00 178.44 179.56 2k3s h ILE 42 N 1.09 1.21 0.00 4.05 1.08 -1.24 -2.81 117.51 120.89 2k3s h ILE 42 Ca 0.23 -0.67 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2k3s h ILE 42 Cb 0.35 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 2k3s h ILE 42 CO -0.00 0.21 -0.33 -0.74 -0.69 0.00 0.00 178.15 176.60 2k3s h HIS 43 N 0.11 0.00 -0.06 1.37 2.76 -0.72 0.16 115.15 118.78 2k3s h HIS 43 Ca 0.06 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2k3s h HIS 43 Cb 0.28 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2k3s h HIS 43 CO 0.01 0.33 -0.19 -0.22 -1.30 0.00 0.00 177.93 176.56 2k3s h LYS 44 N 0.00 0.09 0.03 5.26 1.63 -0.70 -3.20 116.57 119.68 2k3s h LYS 44 Ca -0.00 -0.02 -0.39 0.00 -0.85 0.00 0.00 60.65 59.39 2k3s h LYS 44 Cb 0.69 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.26 2k3s h LYS 44 CO 0.04 0.29 -2.26 1.19 -3.45 0.00 0.00 179.45 175.26 2k3s n PHE 45 N -4.27 0.39 -3.77 1.91 3.72 -1.00 -4.82 117.46 109.62 2k3s n PHE 45 Ca -0.02 0.11 -0.36 0.00 -0.05 0.00 0.00 57.45 57.13 2k3s n PHE 45 Cb 0.28 -1.05 -0.12 0.00 -0.94 0.00 0.00 39.48 37.66 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 -2.51 3.55 0.24 1.38 0.08 0.54 -4.96 117.98 116.30 2k3s s PHE 46 Ca -0.32 -2.31 0.00 0.00 0.12 0.00 0.00 56.93 54.42 2k3s s PHE 46 Cb 0.09 -3.13 0.29 0.00 -0.57 0.00 0.00 43.02 39.70 2k3s s PHE 46 CO 0.61 -0.95 1.63 -1.35 -0.10 0.00 0.00 175.22 175.06 2k3s h PRO 47 N 8.07 0.51 -0.01 0.24 0.11 -1.82 -2.84 132.00 136.26 2k3s h PRO 47 Ca -0.14 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k3s h PRO 47 Cb 1.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k3s h PRO 47 CO 0.69 0.80 0.00 -1.91 -0.21 0.00 0.00 178.00 177.37 2k3s n GLU 48 N -4.05 1.05 0.32 1.05 2.13 -1.26 -3.95 120.64 115.93 2k3s n GLU 48 Ca -0.01 -0.07 -0.16 0.00 0.66 0.00 0.00 57.16 57.57 2k3s n GLU 48 Cb 0.49 -1.33 -0.08 0.00 0.27 0.00 0.00 31.44 30.79 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3s h ALA 49 N 3.67 -0.80 -1.87 4.31 0.00 -1.86 -3.48 119.26 119.23 2k3s h ALA 49 Ca 0.00 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 54.93 2k3s h ALA 49 Cb 0.03 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.00 2k3s h ALA 49 CO 0.00 -0.87 0.66 -0.59 0.00 0.00 0.00 179.25 178.45 2k3s s PHE 50 N -5.41 -0.15 -0.63 0.00 -0.12 -1.25 -5.02 117.98 105.40 2k3s s PHE 50 Ca -0.16 0.00 -0.23 0.00 -0.05 0.00 0.00 56.93 56.50 2k3s s PHE 50 Cb 0.03 0.56 0.06 0.00 -0.63 0.00 0.00 43.02 43.04 2k3s s PHE 50 CO 0.56 -0.46 0.94 0.16 -0.05 0.00 0.00 175.22 176.37 2k3s s ASP 51 N -2.67 6.21 0.35 1.98 1.47 -1.26 -4.88 116.67 117.87 2k3s s ASP 51 Ca 0.10 -0.86 0.07 0.00 1.18 0.00 0.00 52.55 53.05 2k3s s ASP 51 Cb 0.01 -2.41 0.64 0.00 -0.34 0.00 0.00 42.92 40.81 2k3s s ASP 51 CO -0.04 -1.37 1.85 0.22 0.68 0.00 0.00 175.17 176.51 2k3s h TYR 52 N 9.48 0.36 0.00 2.11 3.20 -1.95 -2.35 116.97 127.82 2k3s h TYR 52 Ca -0.28 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2k3s h TYR 52 Cb 1.07 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2k3s h TYR 52 CO 0.94 0.49 0.00 0.00 -1.64 0.00 0.00 178.16 177.95 2k3s n ALA 53 N -2.48 1.68 -0.22 1.82 0.00 -1.26 -2.12 120.51 117.93 2k3s n ALA 53 Ca -0.00 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.48 2k3s n ALA 53 Cb 0.31 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 18.75 2k3s n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3s n GLU 54 N -1.51 2.72 -3.17 0.00 -0.58 -0.88 -4.98 120.64 112.23 2k3s n GLU 54 Ca 0.04 -2.34 -0.32 0.00 -0.42 0.00 0.00 57.16 54.12 2k3s n GLU 54 Cb 0.18 -1.43 -0.05 0.00 -0.57 0.00 0.00 31.44 29.56 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k3s s LEU 55 N -1.03 4.05 0.07 -4.62 1.43 -0.90 -5.08 118.68 112.59 2k3s s LEU 55 Ca 0.36 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2k3s s LEU 55 Cb 0.19 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2k3s s LEU 55 CO 0.25 -0.21 -0.20 -1.81 0.23 0.00 0.00 176.35 174.62 2k3s s ASP 56 N -2.48 2.34 0.50 2.29 1.01 -1.26 -5.03 116.67 114.04 2k3s s ASP 56 Ca 0.52 -0.58 0.24 0.00 0.71 0.00 0.00 52.55 53.44 2k3s s ASP 56 Cb -0.10 -0.16 1.32 0.00 1.01 0.00 0.00 42.92 44.99 2k3s s ASP 56 CO 0.21 0.09 2.04 1.55 0.21 0.00 0.00 175.17 179.27 2k3s h PRO 57 N 4.54 0.00 0.00 8.23 0.13 -1.98 -1.00 132.00 141.91 2k3s h PRO 57 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2k3s h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k3s h PRO 57 CO 0.42 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 2k3s n ALA 58 N -2.33 2.40 -1.28 -0.56 0.00 -1.26 -2.94 120.51 114.54 2k3s n ALA 58 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 2k3s n ALA 58 Cb 0.25 -1.46 0.22 0.00 0.00 0.00 0.00 19.45 18.46 2k3s n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k3s n LYS 59 N -1.32 2.27 -0.22 0.00 5.02 -0.38 -4.69 118.16 118.84 2k3s n LYS 59 Ca 0.13 -3.06 0.08 0.00 -2.02 0.00 0.00 58.31 53.43 2k3s n LYS 59 Cb 0.24 -1.87 0.35 0.00 -0.02 0.00 0.00 35.03 33.73 2k3s n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3s h ARG 60 N 1.30 0.74 -0.73 1.97 3.08 -1.60 0.32 114.38 119.44 2k3s h ARG 60 Ca 0.19 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2k3s h ARG 60 Cb 1.72 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.56 2k3s h ARG 60 CO 0.41 0.49 0.46 -0.09 -1.07 0.00 0.00 179.97 180.17 2k3s h ARG 61 N 0.76 0.88 0.03 0.04 2.43 -1.89 -0.34 114.38 116.29 2k3s h ARG 61 Ca 0.36 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 59.25 2k3s h ARG 61 Cb 0.40 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k3s h ARG 61 CO -0.14 0.58 -0.99 1.25 -1.51 0.00 0.00 179.97 179.17 2k3s h HIS 62 N 0.91 0.49 -0.31 2.20 2.76 -1.59 -3.25 115.15 116.36 2k3s h HIS 62 Ca 0.29 -0.29 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2k3s h HIS 62 Cb 0.01 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2k3s h HIS 62 CO -0.04 1.13 0.10 -0.97 -1.30 0.00 0.00 177.93 176.85 2k3s h ASN 63 N 0.16 0.10 -0.14 3.26 -1.24 0.30 0.23 115.58 118.26 2k3s h ASN 63 Ca -0.08 0.04 0.01 0.00 0.71 0.00 0.00 56.30 56.98 2k3s h ASN 63 Cb 1.64 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.70 2k3s h ASN 63 CO 0.16 0.10 0.04 -0.26 -1.29 0.00 0.00 177.43 176.17 2k3s h PHE 64 N 0.23 0.06 -0.45 0.67 0.04 -1.16 -0.63 116.94 115.70 2k3s h PHE 64 Ca 0.14 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2k3s h PHE 64 Cb 0.12 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2k3s h PHE 64 CO -0.14 0.03 0.25 1.15 -0.60 0.00 0.00 178.31 179.00 2k3s h THR 65 N 0.10 1.16 -0.49 -1.55 2.02 -1.52 -1.74 112.91 110.89 2k3s h THR 65 Ca 0.06 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2k3s h THR 65 Cb 0.04 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2k3s h THR 65 CO -0.07 0.17 0.21 0.25 0.37 0.00 0.00 175.52 176.44 2k3s h LEU 66 N 0.60 0.26 -0.07 2.58 5.85 -0.19 0.22 115.31 124.56 2k3s h LEU 66 Ca 0.16 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2k3s h LEU 66 Cb 0.05 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2k3s h LEU 66 CO -0.03 0.18 0.01 0.00 -0.34 0.00 0.00 178.44 178.27 2k3s h ALA 67 N 1.30 0.09 -0.40 1.25 0.00 -0.90 -2.34 119.26 118.25 2k3s h ALA 67 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2k3s h ALA 67 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k3s h ALA 67 CO -0.20 -0.27 0.03 0.74 0.00 0.00 0.00 179.25 179.55 2k3s h PHE 68 N -0.12 0.73 0.34 0.00 0.04 -1.04 -2.04 116.94 114.85 2k3s h PHE 68 Ca 0.02 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2k3s h PHE 68 Cb 0.27 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2k3s h PHE 68 CO 0.01 0.74 -0.16 0.66 -0.60 0.00 0.00 178.31 178.96 2k3s h SER 69 N 0.51 -0.38 -0.70 2.17 4.64 -0.60 -1.93 113.55 117.27 2k3s h SER 69 Ca 0.12 -0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2k3s h SER 69 Cb 0.43 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 2k3s h SER 69 CO 0.01 -0.12 0.46 0.74 -0.87 0.00 0.00 176.83 177.05 2k3s h THR 70 N -0.65 1.15 -0.50 2.95 2.02 -1.48 0.25 112.91 116.66 2k3s h THR 70 Ca -0.05 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2k3s h THR 70 Cb 0.46 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2k3s h THR 70 CO 0.08 0.16 0.21 0.00 0.37 0.00 0.00 175.52 176.34 2k3s h ALA 71 N 1.58 0.65 -0.07 6.16 0.00 -1.25 -0.56 119.26 125.76 2k3s h ALA 71 Ca 0.26 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2k3s h ALA 71 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2k3s h ALA 71 CO -0.06 0.24 -0.60 1.49 0.00 0.00 0.00 179.25 180.32 2k3s h GLU 72 N 0.66 0.24 0.00 0.00 4.81 -0.57 0.15 114.58 119.86 2k3s h GLU 72 Ca 0.17 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k3s h GLU 72 Cb 0.18 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2k3s h GLU 72 CO -0.02 0.76 0.00 -0.22 -0.73 0.00 0.00 179.01 178.81 2k3s h LYS 73 N 0.18 0.00 0.00 1.92 1.63 -0.13 -0.87 116.57 119.29 2k3s h LYS 73 Ca -0.01 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.49 2k3s h LYS 73 Cb 1.10 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.68 2k3s h LYS 73 CO 0.09 0.00 -2.05 1.28 -3.45 0.00 0.00 179.45 175.32 2k3s n LEU 74 N -2.67 2.02 0.00 5.20 4.77 -0.25 -4.78 117.00 121.29 2k3s n LEU 74 Ca 0.03 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2k3s n LEU 74 Cb 0.36 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2k3s n LEU 74 CO 0.27 0.56 0.42 0.00 -1.33 0.00 0.00 177.39 177.32 2k3s n ALA 75 N -3.52 1.70 -3.78 -1.18 0.00 0.48 -5.03 120.51 109.18 2k3s n ALA 75 Ca -0.35 -0.85 -0.27 0.00 0.00 0.00 0.00 53.44 51.97 2k3s n ALA 75 Cb 0.80 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.26 2k3s n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3s n ASP 76 N -0.35 -2.64 -4.77 0.00 8.00 -0.33 -4.91 116.55 111.55 2k3s n ASP 76 Ca 0.00 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 2k3s n ASP 76 Cb 0.33 -3.42 -0.02 0.00 -0.02 0.00 0.00 41.12 37.98 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3s s ALA 78 N -1.15 3.53 -1.26 0.00 0.00 -1.26 -4.65 121.76 116.98 2k3s s ALA 78 Ca 0.49 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.58 2k3s s ALA 78 Cb -0.39 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.24 2k3s s ALA 78 CO 0.52 -0.73 1.79 -0.65 0.00 0.00 0.00 175.76 176.69 2k3s s GLN 79 N -1.63 3.55 0.00 0.00 -0.21 -1.26 -4.64 119.66 115.47 2k3s s GLN 79 Ca 0.51 -1.73 0.25 0.00 0.02 0.00 0.00 55.36 54.41 2k3s s GLN 79 Cb -0.41 -5.45 0.50 0.00 1.00 0.00 0.00 33.01 28.65 2k3s s GLN 79 CO 0.53 -2.75 1.43 1.28 -2.12 0.00 0.00 175.29 173.66 2k3s n LEU 80 N 10.14 2.56 -3.83 2.90 4.77 -1.26 -4.90 117.00 127.38 2k3s n LEU 80 Ca 0.47 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 55.42 2k3s n LEU 80 Cb 0.46 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2k3s n LEU 80 CO 0.74 0.46 -0.19 -0.76 -1.33 0.00 0.00 177.39 176.31 2k3s s LEU 81 N -1.89 1.46 -0.07 2.23 1.43 -1.26 -4.99 118.68 115.58 2k3s s LEU 81 Ca 0.33 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2k3s s LEU 81 Cb 0.20 0.56 -0.03 0.00 0.03 0.00 0.00 46.19 46.95 2k3s s LEU 81 CO 0.31 -0.14 0.02 -1.61 0.23 0.00 0.00 176.35 175.16 2k3s s GLU 82 N -0.32 3.01 0.04 1.70 2.02 -1.26 -5.03 118.70 118.85 2k3s s GLU 82 Ca -0.04 -0.41 -0.26 0.00 0.02 0.00 0.00 54.97 54.28 2k3s s GLU 82 Cb -0.03 -2.82 -0.17 0.00 0.10 0.00 0.00 34.13 31.21 2k3s s GLU 82 CO 0.01 0.70 1.47 0.28 0.02 0.00 0.00 175.26 177.73 2k3s h VAL 83 N 4.01 0.91 -0.01 2.63 2.07 -1.98 -1.50 116.25 122.37 2k3s h VAL 83 Ca -0.51 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 66.60 2k3s h VAL 83 Cb 1.19 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2k3s h VAL 83 CO 0.55 0.10 -0.12 -2.24 0.02 0.00 0.00 177.57 175.89 2k3s h ASP 84 N -0.46 -0.35 -0.88 0.57 3.04 -1.96 -1.99 116.42 114.40 2k3s h ASP 84 Ca -0.02 0.05 0.04 0.00 -3.24 0.00 0.00 57.03 53.86 2k3s h ASP 84 Cb 0.35 0.15 -0.05 0.00 -1.04 0.00 0.00 39.33 38.74 2k3s h ASP 84 CO 0.04 -0.17 0.58 -0.78 -2.04 0.00 0.00 179.24 176.87 2k3s h ASP 85 N -0.20 0.94 -0.82 4.15 3.58 -1.98 0.39 116.42 122.48 2k3s h ASP 85 Ca 0.05 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2k3s h ASP 85 Cb 0.26 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 2k3s h ASP 85 CO -0.13 0.64 0.40 0.24 -2.88 0.00 0.00 179.24 177.51 2k3s h MET 86 N 1.09 1.17 -0.02 0.28 2.86 -0.75 0.33 114.93 119.88 2k3s h MET 86 Ca 0.36 -0.17 -0.18 0.00 -2.06 0.00 0.00 59.70 57.65 2k3s h MET 86 Cb 0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2k3s h MET 86 CO -0.11 0.90 -0.77 0.28 1.06 0.00 0.00 176.91 178.27 2k3s h VAL 87 N 1.16 1.45 0.25 -2.22 2.07 -0.70 0.13 116.25 118.39 2k3s h VAL 87 Ca 0.28 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 2k3s h VAL 87 Cb 0.11 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2k3s h VAL 87 CO -0.04 0.70 -0.12 -0.09 0.02 0.00 0.00 177.57 178.04 2k3s h ARG 88 N 0.13 -0.33 -0.04 1.57 2.43 -0.39 -3.29 114.38 114.46 2k3s h ARG 88 Ca -0.03 0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 2k3s h ARG 88 Cb 1.35 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 2k3s h ARG 88 CO 0.12 0.03 -0.75 -0.07 -1.51 0.00 0.00 179.97 177.78 2k3s h LEU 89 N -0.80 0.35 0.00 3.80 3.38 -0.45 -3.47 115.31 118.11 2k3s h LEU 89 Ca -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2k3s h LEU 89 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2k3s h LEU 89 CO 0.06 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.56 2k3s n ALA 90 N -2.48 0.00 -2.48 1.53 0.00 0.44 -4.79 120.51 112.72 2k3s n ALA 90 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 2k3s n ALA 90 Cb 0.72 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 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 5.19 0.69 0.00 1.01 -1.26 -4.16 120.40 121.87 2k3s s VAL 91 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2k3s s VAL 91 Cb 0.00 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2k3s s VAL 91 CO 0.00 -0.30 1.07 -2.16 0.00 0.00 0.00 175.10 173.70 2k3s s PRO 92 N 1.89 2.96 0.34 2.72 0.04 -1.26 -5.05 135.00 136.65 2k3s s PRO 92 Ca 0.09 0.74 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 2k3s s PRO 92 Cb -0.18 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 2k3s s PRO 92 CO 0.12 -1.03 0.76 -0.51 0.04 0.00 0.00 177.00 176.37 2k3s s ASP 93 N -4.04 6.75 0.31 6.66 1.01 -1.26 -4.43 116.67 121.67 2k3s s ASP 93 Ca 0.58 1.29 -0.00 0.00 0.71 0.00 0.00 52.55 55.12 2k3s s ASP 93 Cb -0.13 -2.38 0.48 0.00 1.01 0.00 0.00 42.92 41.91 2k3s s ASP 93 CO 0.54 -0.25 1.92 0.28 0.21 0.00 0.00 175.17 177.87 2k3s h SER 94 N 2.08 0.81 -0.46 0.27 0.02 -1.97 -2.57 113.55 111.72 2k3s h SER 94 Ca -0.48 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.38 2k3s h SER 94 Cb 1.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2k3s h SER 94 CO 0.65 0.67 0.21 0.50 -1.14 0.00 0.00 176.83 177.72 2k3s h LYS 95 N 0.91 0.68 -0.32 3.45 3.64 -1.93 0.30 116.57 123.29 2k3s h LYS 95 Ca 0.23 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2k3s h LYS 95 Cb 0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2k3s h LYS 95 CO -0.03 0.59 0.14 0.00 -2.27 0.00 0.00 179.45 177.88 2k3s h VAL 97 N 0.44 1.05 -0.04 0.00 2.07 -1.18 -3.18 116.25 115.41 2k3s h VAL 97 Ca 0.11 -2.59 0.03 0.00 0.82 0.00 0.00 66.70 65.07 2k3s h VAL 97 Cb 0.06 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 2k3s h VAL 97 CO -0.01 0.84 -0.13 0.22 0.02 0.00 0.00 177.57 178.51 2k3s h TYR 98 N 0.12 -0.34 0.00 1.57 3.20 -0.02 0.36 116.97 121.85 2k3s h TYR 98 Ca -0.31 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 2k3s h TYR 98 Cb 2.12 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.54 2k3s h TYR 98 CO 0.11 -0.20 -0.24 0.00 -1.64 0.00 0.00 178.16 176.19 2k3s h THR 99 N -0.20 0.87 -0.03 1.81 1.03 -1.37 -0.57 112.91 114.45 2k3s h THR 99 Ca 0.06 -0.92 -0.05 0.00 -0.01 0.00 0.00 66.41 65.49 2k3s h THR 99 Cb 0.29 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2k3s h THR 99 CO -0.16 0.23 -0.19 0.22 -0.01 0.00 0.00 175.52 175.62 2k3s h TYR 100 N 0.00 0.25 -0.20 0.00 3.20 -1.34 -3.06 116.97 115.82 2k3s h TYR 100 Ca -0.00 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 2k3s h TYR 100 Cb 0.52 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2k3s h TYR 100 CO 0.00 0.83 -0.33 0.82 -1.64 0.00 0.00 178.16 177.85 2k3s h ILE 101 N -0.41 1.28 0.11 1.81 1.08 -0.81 -2.28 117.51 118.29 2k3s h ILE 101 Ca -0.01 -1.39 0.01 0.00 -0.39 0.00 0.00 64.86 63.08 2k3s h ILE 101 Cb 0.86 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 2k3s h ILE 101 CO 0.04 0.43 -0.17 1.56 -0.69 0.00 0.00 178.15 179.32 2k3s h GLN 102 N 0.35 -0.33 -0.30 2.37 4.20 -1.14 0.28 115.11 120.55 2k3s h GLN 102 Ca 0.04 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2k3s h GLN 102 Cb 0.75 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2k3s h GLN 102 CO 0.06 -0.22 -0.24 0.93 -0.67 0.00 0.00 178.83 178.69 2k3s h GLU 103 N -0.34 0.57 -0.29 1.46 4.39 -1.50 -1.71 114.58 117.16 2k3s h GLU 103 Ca 0.02 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2k3s h GLU 103 Cb 0.35 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k3s h GLU 103 CO -0.09 0.77 0.12 1.25 -1.16 0.00 0.00 179.01 179.90 2k3s h LEU 104 N 0.50 0.39 -0.74 1.33 5.85 -1.01 -1.05 115.31 120.59 2k3s h LEU 104 Ca 0.07 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2k3s h LEU 104 Cb 0.68 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2k3s h LEU 104 CO 0.05 0.44 0.48 0.22 -0.34 0.00 0.00 178.44 179.29 2k3s h TYR 105 N 0.32 0.90 -0.80 1.25 3.20 -0.24 -0.94 116.97 120.66 2k3s h TYR 105 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2k3s h TYR 105 Cb 0.16 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 2k3s h TYR 105 CO -0.01 0.54 0.49 -0.09 -1.64 0.00 0.00 178.16 177.45 2k3s h ARG 106 N 0.95 1.09 0.00 1.82 2.43 -0.96 0.53 114.38 120.24 2k3s h ARG 106 Ca 0.28 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2k3s h ARG 106 Cb -0.05 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 2k3s h ARG 106 CO -0.09 0.76 -0.39 0.77 -1.51 0.00 0.00 179.97 179.51 2k3s h SER 107 N 1.10 0.00 0.97 -3.80 0.02 -0.28 -2.95 113.55 108.61 2k3s h SER 107 Ca 0.29 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.03 2k3s h SER 107 Cb -0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2k3s h SER 107 CO -0.05 0.39 -1.07 -0.07 -1.14 0.00 0.00 176.83 174.89 2k3s h LEU 108 N 0.00 0.00 0.11 5.07 3.38 0.09 -3.21 115.31 120.75 2k3s h LEU 108 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k3s h LEU 108 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2k3s h LEU 108 CO 0.05 0.92 -0.05 0.58 0.09 0.00 0.00 178.44 180.03 2k3s h VAL 109 N 0.00 1.04 0.00 1.22 2.07 -0.78 -1.35 116.25 118.45 2k3s h VAL 109 Ca -0.06 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2k3s h VAL 109 Cb 1.75 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2k3s h VAL 109 CO 0.11 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2k3s n GLN 110 N -5.03 0.07 0.00 1.57 10.64 -1.16 -1.28 117.38 122.19 2k3s n GLN 110 Ca -0.08 0.38 0.10 0.00 -1.83 0.00 0.00 57.00 55.57 2k3s n GLN 110 Cb 0.18 -1.66 -0.06 0.00 -0.86 0.00 0.00 30.24 27.85 2k3s n GLN 110 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2k3s n LYS 111 N -1.80 0.39 -1.15 2.61 4.76 -1.02 -4.96 118.16 116.99 2k3s n LYS 111 Ca 0.02 -0.32 -0.05 0.00 -2.87 0.00 0.00 58.31 55.09 2k3s n LYS 111 Cb 0.15 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 2k3s n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3s n GLY 112 N 1.47 0.68 0.13 0.72 0.00 -0.40 -4.87 105.19 102.92 2k3s n GLY 112 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2k3s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3s h LEU 113 N 0.00 0.00 -0.59 0.99 3.38 -1.54 -3.06 115.31 114.49 2k3s h LEU 113 Ca -0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2k3s h LEU 113 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k3s h LEU 113 CO 0.16 0.64 -0.25 0.58 0.09 0.00 0.00 178.44 179.66 2k3s h VAL 114 N 0.00 1.27 -2.13 1.22 2.07 -1.88 -3.33 116.25 113.47 2k3s h VAL 114 Ca -0.01 -1.40 -0.76 0.00 0.82 0.00 0.00 66.70 65.36 2k3s h VAL 114 Cb 1.15 1.22 -0.19 0.00 -1.52 0.00 0.00 31.29 31.95 2k3s h VAL 114 CO 0.08 0.47 1.43 0.29 0.02 0.00 0.00 177.57 179.87 2k3s n LYS 115 N -4.10 3.58 0.24 1.57 5.02 -1.16 -4.75 118.16 118.57 2k3s n LYS 115 Ca -0.00 -3.88 0.10 0.00 -2.02 0.00 0.00 58.31 52.51 2k3s n LYS 115 Cb 0.46 -2.89 0.59 0.00 -0.02 0.00 0.00 35.03 33.16 2k3s n LYS 115 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2k3s h THR 116 N 4.10 0.71 -3.17 -0.18 1.35 -1.75 -3.41 112.91 110.56 2k3s h THR 116 Ca 0.32 -0.83 -0.60 0.00 -0.55 0.00 0.00 66.41 64.74 2k3s h THR 116 Cb 0.76 1.52 -0.10 0.00 -1.73 0.00 0.00 68.15 68.60 2k3s h THR 116 CO 1.36 0.19 -0.38 -0.54 -0.25 0.00 0.00 175.52 175.91 2k3s s LYS 117 N -4.06 4.10 -0.28 4.72 1.02 -1.26 -5.02 119.74 118.96 2k3s s LYS 117 Ca -0.02 0.02 -0.28 0.00 0.02 0.00 0.00 55.97 55.71 2k3s s LYS 117 Cb 0.13 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2k3s s LYS 117 CO 0.63 0.37 2.09 0.21 -0.92 0.00 0.00 175.35 177.73 2k3s s LYS 118 N 0.10 3.11 0.00 1.68 2.20 -1.26 -5.16 119.74 120.41 2k3s s LYS 118 Ca 0.15 1.77 0.11 0.00 -0.36 0.00 0.00 55.97 57.64 2k3s s LYS 118 Cb -0.13 -4.33 0.09 0.00 -1.51 0.00 0.00 37.83 31.95 2k3s s LYS 118 CO 0.03 -2.12 0.85 1.17 -0.36 0.00 0.00 175.35 174.92