#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 1.10 -4.40 1.61 0.11 -2.07 -3.36 132.00 124.99 2k3s h PRO 2 Ca 0.00 -0.17 -0.73 0.00 0.11 0.00 0.00 66.00 65.21 2k3s h PRO 2 Cb 0.00 -0.19 -0.22 0.00 0.11 0.00 0.00 31.00 30.70 2k3s h PRO 2 CO 0.00 0.86 0.19 -0.51 -0.21 0.00 0.00 178.00 178.33 2k3s s LEU 3 N -9.69 5.86 0.00 2.35 1.43 -1.26 -4.71 118.68 112.65 2k3s s LEU 3 Ca -0.12 -1.97 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 2k3s s LEU 3 Cb 0.16 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2k3s s LEU 3 CO 0.82 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2k3s n GLY 4 N 4.92 -1.46 0.12 -3.19 0.00 -1.26 -4.98 105.19 99.33 2k3s n GLY 4 Ca 0.03 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 0.27 0.35 1.61 4.64 -1.90 -1.50 113.55 117.03 2k3s h SER 5 Ca 0.00 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 2k3s h SER 5 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2k3s h SER 5 CO 0.00 0.25 -0.47 0.11 -0.87 0.00 0.00 176.83 175.85 2k3s h LYS 6 N 0.26 0.15 -0.38 4.77 1.57 -2.00 -2.96 116.57 117.97 2k3s h LYS 6 Ca 0.08 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2k3s h LYS 6 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2k3s h LYS 6 CO -0.01 0.59 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.52 2k3s h ASN 7 N 0.12 0.59 -0.28 0.86 4.21 -1.83 -0.93 115.58 118.33 2k3s h ASN 7 Ca 0.01 -0.13 -0.02 0.00 1.21 0.00 0.00 56.30 57.37 2k3s h ASN 7 Cb 0.88 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 2k3s h ASN 7 CO 0.07 0.68 0.11 -0.03 -1.29 0.00 0.00 177.43 176.97 2k3s h MET 8 N 0.58 0.42 -0.19 0.81 4.05 -1.11 -1.85 114.93 117.64 2k3s h MET 8 Ca 0.12 -0.08 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 2k3s h MET 8 Cb 0.42 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2k3s h MET 8 CO 0.02 0.45 -0.36 -0.07 0.23 0.00 0.00 176.91 177.17 2k3s h LEU 9 N 0.30 0.42 -0.47 3.39 3.38 -1.52 -2.16 115.31 118.65 2k3s h LEU 9 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k3s h LEU 9 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2k3s h LEU 9 CO -0.01 0.75 0.31 0.25 0.09 0.00 0.00 178.44 179.83 2k3s h LEU 10 N 0.34 0.54 -0.54 1.67 5.85 -0.90 0.12 115.31 122.40 2k3s h LEU 10 Ca 0.04 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2k3s h LEU 10 Cb 0.80 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2k3s h LEU 10 CO 0.06 0.40 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.39 2k3s h GLU 11 N 0.63 1.02 -0.33 1.25 4.81 -1.20 -0.13 114.58 120.63 2k3s h GLU 11 Ca 0.17 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2k3s h GLU 11 Cb -0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2k3s h GLU 11 CO -0.04 1.07 0.20 2.35 -0.73 0.00 0.00 179.01 181.86 2k3s h TRP 12 N 0.90 0.44 -0.17 0.92 7.01 -0.97 -1.57 115.95 122.51 2k3s h TRP 12 Ca 0.14 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 2k3s h TRP 12 Cb 0.67 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 2k3s h TRP 12 CO 0.05 0.32 -0.05 0.00 -2.79 0.00 0.00 178.44 175.97 2k3s n ARG 14 N -4.65 0.05 0.07 0.00 0.63 -0.07 -0.88 116.66 111.81 2k3s n ARG 14 Ca -0.05 0.28 0.11 0.00 -0.92 0.00 0.00 57.85 57.27 2k3s n ARG 14 Cb 0.28 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.66 2k3s n ARG 14 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k3s n ALA 15 N -1.44 2.69 -0.08 5.13 0.00 -0.60 -3.78 120.51 122.43 2k3s n ALA 15 Ca 0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 2k3s n ALA 15 Cb 0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 2k3s n ALA 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k3s n MET 16 N -2.49 0.42 0.00 0.00 2.81 -0.53 -4.52 117.12 112.81 2k3s n MET 16 Ca -0.01 0.18 0.07 0.00 -1.81 0.00 0.00 57.70 56.13 2k3s n MET 16 Cb 0.54 -1.22 0.39 0.00 -0.71 0.00 0.00 33.22 32.22 2k3s n MET 16 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2k3s n THR 17 N -4.06 0.37 0.22 2.03 -1.04 -0.05 -2.27 114.28 109.48 2k3s n THR 17 Ca -0.27 0.09 0.10 0.00 -2.04 0.00 0.00 64.05 61.93 2k3s n THR 17 Cb 0.61 -0.86 0.47 0.00 -1.82 0.00 0.00 70.33 68.73 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 -1.73 -2.08 114.38 110.18 2k3s h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k3s h ARG 18 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k3s h ARG 18 CO 0.00 0.24 0.00 -1.71 -1.51 0.00 0.00 179.97 176.99 2k3s n ASN 19 N -3.45 0.00 -4.78 -3.80 4.05 -0.96 -4.73 115.26 101.59 2k3s n ASN 19 Ca -0.00 0.23 -0.38 0.00 0.45 0.00 0.00 54.58 54.88 2k3s n ASN 19 Cb 0.42 -0.41 -0.06 0.00 1.23 0.00 0.00 39.78 40.96 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2k3s s TYR 20 N -2.81 3.62 0.39 1.20 2.02 -0.78 -5.07 117.35 115.91 2k3s s TYR 20 Ca 0.19 0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 57.67 2k3s s TYR 20 Cb 0.18 -2.43 -0.09 0.00 -0.40 0.00 0.00 41.96 39.22 2k3s s TYR 20 CO 0.46 0.40 0.83 -1.21 -1.57 0.00 0.00 175.55 174.46 2k3s s GLU 21 N -0.23 4.05 -1.25 -0.62 8.01 -1.26 -3.85 118.70 123.56 2k3s s GLU 21 Ca 0.25 0.83 0.00 0.00 0.01 0.00 0.00 54.97 56.05 2k3s s GLU 21 Cb -0.16 -2.31 0.00 0.00 -4.31 0.00 0.00 34.13 27.35 2k3s s GLU 21 CO 0.12 0.03 0.00 1.58 0.01 0.00 0.00 175.26 177.00 2k3s n HIS 22 N -0.67 -0.03 -3.79 1.61 -0.00 -1.26 -4.98 115.22 106.11 2k3s n HIS 22 Ca 0.05 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.93 2k3s n HIS 22 Cb 0.54 -2.22 -0.14 0.00 -0.12 0.00 0.00 29.99 28.04 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2k3s s VAL 23 N -2.45 1.43 -0.39 3.57 1.01 -1.25 -4.99 120.40 117.34 2k3s s VAL 23 Ca 0.00 -2.16 -0.12 0.00 0.00 0.00 0.00 61.98 59.70 2k3s s VAL 23 Cb 0.00 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2k3s s VAL 23 CO 0.00 -0.76 0.24 1.51 0.00 0.00 0.00 175.10 176.08 2k3s s ASP 24 N 0.86 5.84 -1.10 3.32 -4.77 -1.26 -4.81 116.67 114.75 2k3s s ASP 24 Ca 0.14 -1.00 -0.17 0.00 -3.30 0.00 0.00 52.55 48.21 2k3s s ASP 24 Cb -0.21 -2.06 0.13 0.00 -1.09 0.00 0.00 42.92 39.69 2k3s s ASP 24 CO -0.10 -0.41 1.36 -0.63 0.70 0.00 0.00 175.17 176.09 2k3s s ILE 25 N 1.58 4.67 -0.11 2.11 1.01 -1.26 -4.68 121.20 124.52 2k3s s ILE 25 Ca 0.03 -1.93 -0.07 0.00 0.00 0.00 0.00 60.65 58.68 2k3s s ILE 25 Cb -0.19 -4.92 -0.06 0.00 0.01 0.00 0.00 42.46 37.30 2k3s s ILE 25 CO 0.07 -1.67 0.17 -0.61 0.00 0.00 0.00 174.94 172.91 2k3s h GLN 26 N 8.14 0.00 0.00 2.79 4.15 -1.95 -3.49 115.11 124.75 2k3s h GLN 26 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2k3s h GLN 26 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2k3s h GLN 26 CO 1.25 0.23 0.00 -1.71 -1.93 0.00 0.00 178.83 176.67 2k3s n ASN 27 N -4.74 0.49 -1.70 -0.69 2.85 -1.26 -5.04 115.26 105.17 2k3s n ASN 27 Ca -0.03 -0.69 0.09 0.00 -0.11 0.00 0.00 54.58 53.84 2k3s n ASN 27 Cb 0.12 0.00 0.38 0.00 1.24 0.00 0.00 39.78 41.51 2k3s n ASN 27 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k3s n PHE 28 N 0.00 1.70 0.00 1.20 3.72 -1.26 -4.38 117.46 118.44 2k3s n PHE 28 Ca 0.00 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2k3s n PHE 28 Cb 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 0.97 0.00 -0.23 4.37 7.64 -1.26 -4.24 113.62 120.87 2k3s n SER 29 Ca 0.27 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.16 2k3s n SER 29 Cb 1.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 64.33 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 0.37 0.78 6.43 0.02 -1.87 -1.01 113.55 118.27 2k3s h SER 30 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2k3s h SER 30 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k3s h SER 30 CO 0.00 0.21 0.00 0.77 -1.14 0.00 0.00 176.83 176.67 2k3s h SER 31 N 0.53 0.00 -0.12 3.07 4.64 -1.84 -2.35 113.55 117.48 2k3s h SER 31 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2k3s h SER 31 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2k3s h SER 31 CO -0.29 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.46 2k3s n TRP 32 N -2.86 0.13 0.24 4.77 7.02 -0.43 -4.19 117.44 122.13 2k3s n TRP 32 Ca 0.00 -0.07 0.13 0.00 -1.02 0.00 0.00 57.50 56.55 2k3s n TRP 32 Cb 0.25 -0.00 0.51 0.00 -2.42 0.00 0.00 31.31 29.64 2k3s n TRP 32 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2k3s h SER 33 N 4.61 0.00 1.75 -0.99 0.87 -0.95 -2.77 113.55 116.08 2k3s h SER 33 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2k3s h SER 33 Cb 0.99 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2k3s h SER 33 CO 0.00 0.10 -0.16 0.77 -0.53 0.00 0.00 176.83 177.01 2k3s h SER 34 N 0.00 0.00 0.00 6.23 4.64 -1.75 -3.47 113.55 119.19 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 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2k3s h SER 34 CO 0.01 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2k3s n GLY 35 N 1.04 2.65 0.35 -0.77 0.00 -1.05 -4.80 105.19 102.62 2k3s n GLY 35 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.11 0.39 -0.88 1.61 2.86 -1.89 -1.83 114.93 115.30 2k3s h MET 36 Ca 0.00 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2k3s h MET 36 Cb 0.00 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.50 2k3s h MET 36 CO 0.00 0.26 0.54 0.00 1.06 0.00 0.00 176.91 178.77 2k3s h ALA 37 N 1.70 1.25 -0.10 6.32 0.00 -1.87 0.24 119.26 126.80 2k3s h ALA 37 Ca 0.27 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2k3s h ALA 37 Cb 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k3s h ALA 37 CO -0.07 0.23 -0.11 0.74 0.00 0.00 0.00 179.25 180.04 2k3s h PHE 38 N 0.94 0.31 -0.53 0.00 0.04 -1.69 -1.93 116.94 114.08 2k3s h PHE 38 Ca 0.41 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 61.09 2k3s h PHE 38 Cb 0.28 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 2k3s h PHE 38 CO -0.03 0.69 0.35 0.00 -0.60 0.00 0.00 178.31 178.71 2k3s h ALA 40 N 1.20 0.95 0.05 0.00 0.00 -0.55 0.07 119.26 120.97 2k3s h ALA 40 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k3s h ALA 40 Cb -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2k3s h ALA 40 CO -0.05 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.05 2k3s h LEU 41 N 1.07 -0.06 -0.98 0.00 5.85 -0.92 -1.52 115.31 118.75 2k3s h LEU 41 Ca 0.23 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2k3s h LEU 41 Cb 0.29 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2k3s h LEU 41 CO -0.01 0.12 0.26 0.40 -0.34 0.00 0.00 178.44 178.87 2k3s h ILE 42 N -0.23 1.24 0.00 4.05 1.08 -1.06 -1.82 117.51 120.76 2k3s h ILE 42 Ca -0.01 -0.75 -0.03 0.00 -0.39 0.00 0.00 64.86 63.68 2k3s h ILE 42 Cb 0.21 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 2k3s h ILE 42 CO 0.01 0.30 -0.15 -0.74 -0.69 0.00 0.00 178.15 176.88 2k3s h HIS 43 N 0.97 0.00 -0.10 1.37 2.76 -0.78 0.90 115.15 120.27 2k3s h HIS 43 Ca 0.23 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.25 2k3s h HIS 43 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2k3s h HIS 43 CO 0.02 0.15 -0.55 -0.22 -1.30 0.00 0.00 177.93 176.02 2k3s h LYS 44 N 0.00 0.31 0.12 5.26 1.63 -0.39 -3.20 116.57 120.29 2k3s h LYS 44 Ca -0.00 -0.19 -0.25 0.00 -0.85 0.00 0.00 60.65 59.36 2k3s h LYS 44 Cb 0.38 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2k3s h LYS 44 CO 0.02 0.78 -1.21 0.74 -3.45 0.00 0.00 179.45 176.32 2k3s h PHE 45 N 0.24 0.46 -3.69 1.91 0.04 -1.26 -3.43 116.94 111.19 2k3s h PHE 45 Ca 0.00 -0.33 -0.65 0.00 2.80 0.00 0.00 57.97 59.79 2k3s h PHE 45 Cb 1.04 -0.02 -0.39 0.00 2.20 0.00 0.00 35.95 38.79 2k3s h PHE 45 CO 0.02 1.47 -0.76 -0.06 -0.60 0.00 0.00 178.31 178.39 2k3s s PHE 46 N -2.46 3.18 -0.83 -0.55 0.08 0.24 -4.97 117.98 112.68 2k3s s PHE 46 Ca -0.18 -2.45 0.19 0.00 0.12 0.00 0.00 56.93 54.61 2k3s s PHE 46 Cb 0.03 -2.25 0.79 0.00 -0.57 0.00 0.00 43.02 41.02 2k3s s PHE 46 CO 0.78 -0.89 1.59 -0.35 -0.10 0.00 0.00 175.22 176.25 2k3s n PRO 47 N 4.44 0.07 -0.33 0.24 -0.04 -1.21 -2.04 135.00 136.12 2k3s n PRO 47 Ca -0.05 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2k3s n PRO 47 Cb 0.42 -1.63 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 2k3s n PRO 47 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k3s n GLU 48 N -1.76 2.83 0.40 0.54 2.13 -1.26 -4.57 120.64 118.94 2k3s n GLU 48 Ca 0.03 -2.51 -0.16 0.00 0.66 0.00 0.00 57.16 55.19 2k3s n GLU 48 Cb 0.21 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 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 3.62 -1.06 -1.94 4.31 0.00 -1.76 -3.48 119.26 118.95 2k3s h ALA 49 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2k3s h ALA 49 Cb 0.94 0.41 -0.19 0.00 0.00 0.00 0.00 17.79 18.95 2k3s h ALA 49 CO 0.01 -0.99 0.49 -0.59 0.00 0.00 0.00 179.25 178.17 2k3s s PHE 50 N -4.97 -0.39 -0.85 0.00 -0.12 -1.26 -5.02 117.98 105.36 2k3s s PHE 50 Ca -0.15 0.49 -0.25 0.00 -0.05 0.00 0.00 56.93 56.97 2k3s s PHE 50 Cb 0.02 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 2k3s s PHE 50 CO 0.46 -0.46 1.65 0.16 -0.05 0.00 0.00 175.22 176.98 2k3s s ASP 51 N -1.75 5.78 0.34 1.98 1.47 -1.26 -4.82 116.67 118.41 2k3s s ASP 51 Ca 0.00 -0.68 0.03 0.00 1.18 0.00 0.00 52.55 53.09 2k3s s ASP 51 Cb -0.01 -2.56 0.59 0.00 -0.34 0.00 0.00 42.92 40.61 2k3s s ASP 51 CO -0.02 -2.12 1.91 0.22 0.68 0.00 0.00 175.17 175.84 2k3s h TYR 52 N 11.29 0.66 0.00 2.11 3.20 -1.96 -1.66 116.97 130.62 2k3s h TYR 52 Ca -0.01 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2k3s h TYR 52 Cb 1.05 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2k3s h TYR 52 CO 1.19 0.54 0.00 0.00 -1.64 0.00 0.00 178.16 178.25 2k3s n ALA 53 N -2.47 1.56 -0.01 1.82 0.00 -1.26 -1.66 120.51 118.50 2k3s n ALA 53 Ca 0.03 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2k3s n ALA 53 Cb 0.18 -1.25 0.18 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.70 2.38 -3.06 0.00 -0.58 -0.63 -4.99 120.64 112.07 2k3s n GLU 54 Ca 0.03 -2.05 -0.31 0.00 -0.42 0.00 0.00 57.16 54.41 2k3s n GLU 54 Cb 0.16 -1.36 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.08 3.96 0.01 -4.62 1.43 -0.66 -5.07 118.68 112.65 2k3s s LEU 55 Ca 0.29 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2k3s s LEU 55 Cb 0.16 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2k3s s LEU 55 CO 0.22 -0.29 -0.14 -1.81 0.23 0.00 0.00 176.35 174.56 2k3s s ASP 56 N -2.86 1.61 0.61 2.29 1.01 -1.26 -5.02 116.67 113.05 2k3s s ASP 56 Ca 0.50 -0.35 0.38 0.00 0.71 0.00 0.00 52.55 53.80 2k3s s ASP 56 Cb -0.10 -0.14 1.99 0.00 1.01 0.00 0.00 42.92 45.67 2k3s s ASP 56 CO 0.27 0.10 2.23 -0.65 0.21 0.00 0.00 175.17 177.32 2k3s h PRO 57 N 5.38 0.00 0.00 8.23 0.11 -1.99 -0.64 132.00 143.10 2k3s h PRO 57 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2k3s h PRO 57 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k3s h PRO 57 CO 0.46 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 2k3s n ALA 58 N -2.13 1.89 -1.56 -0.75 0.00 -1.26 -2.90 120.51 113.80 2k3s n ALA 58 Ca -0.02 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2k3s n ALA 58 Cb 0.15 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.00 2.90 -0.35 0.00 5.02 -0.25 -4.75 118.16 118.72 2k3s n LYS 59 Ca 0.04 -3.55 0.10 0.00 -2.02 0.00 0.00 58.31 52.88 2k3s n LYS 59 Cb 0.28 -2.24 0.29 0.00 -0.02 0.00 0.00 35.03 33.33 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 1.92 0.84 -0.37 1.97 3.08 -1.68 0.39 114.38 120.53 2k3s h ARG 60 Ca 0.51 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.48 2k3s h ARG 60 Cb 1.23 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2k3s h ARG 60 CO 1.21 0.55 0.14 -0.09 -1.07 0.00 0.00 179.97 180.71 2k3s h ARG 61 N 0.86 0.57 -0.04 0.04 2.43 -1.90 -2.09 114.38 114.25 2k3s h ARG 61 Ca 0.54 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.47 2k3s h ARG 61 Cb 0.71 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2k3s h ARG 61 CO -0.32 0.56 -0.54 0.45 -1.51 0.00 0.00 179.97 178.62 2k3s h HIS 62 N 0.46 0.13 0.32 2.20 3.86 -1.57 -2.34 115.15 118.20 2k3s h HIS 62 Ca 0.12 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2k3s h HIS 62 Cb 0.22 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2k3s h HIS 62 CO 0.00 0.62 -0.25 -0.97 0.86 0.00 0.00 177.93 178.20 2k3s h ASN 63 N 0.08 -0.64 -0.33 2.45 -1.24 0.08 0.35 115.58 116.34 2k3s h ASN 63 Ca -0.00 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2k3s h ASN 63 Cb 0.98 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 2k3s h ASN 63 CO 0.08 -0.37 0.17 -0.26 -1.29 0.00 0.00 177.43 175.75 2k3s h PHE 64 N -0.57 0.46 -0.13 0.67 0.04 -1.36 -1.12 116.94 114.94 2k3s h PHE 64 Ca -0.02 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.75 2k3s h PHE 64 Cb 0.49 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2k3s h PHE 64 CO -0.13 0.39 -0.00 1.15 -0.60 0.00 0.00 178.31 179.11 2k3s h THR 65 N 0.40 0.91 -0.57 -1.55 2.02 -1.20 -0.26 112.91 112.66 2k3s h THR 65 Ca 0.11 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2k3s h THR 65 Cb 0.09 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2k3s h THR 65 CO -0.02 0.01 0.29 0.25 0.37 0.00 0.00 175.52 176.42 2k3s h LEU 66 N 0.04 0.73 0.14 2.58 5.85 -0.18 -0.28 115.31 124.19 2k3s h LEU 66 Ca 0.06 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2k3s h LEU 66 Cb 0.07 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2k3s h LEU 66 CO -0.10 0.63 -0.07 0.00 -0.34 0.00 0.00 178.44 178.56 2k3s h ALA 67 N 1.12 -0.19 -0.59 1.25 0.00 -0.94 -1.94 119.26 117.98 2k3s h ALA 67 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k3s h ALA 67 Cb 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2k3s h ALA 67 CO -0.03 -0.52 0.19 0.74 0.00 0.00 0.00 179.25 179.63 2k3s h PHE 68 N -0.36 0.94 -0.40 0.00 0.04 -0.96 -0.70 116.94 115.51 2k3s h PHE 68 Ca -0.02 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 2k3s h PHE 68 Cb 0.29 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2k3s h PHE 68 CO -0.02 0.78 0.14 0.66 -0.60 0.00 0.00 178.31 179.27 2k3s h SER 69 N 0.83 0.58 -0.44 2.17 4.64 -1.04 -0.87 113.55 119.42 2k3s h SER 69 Ca 0.19 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2k3s h SER 69 Cb 0.27 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2k3s h SER 69 CO -0.01 0.62 -0.03 0.74 -0.87 0.00 0.00 176.83 177.28 2k3s h THR 70 N 0.51 1.27 -0.49 2.95 2.02 -1.24 0.76 112.91 118.68 2k3s h THR 70 Ca 0.13 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 2k3s h THR 70 Cb 0.24 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2k3s h THR 70 CO -0.01 0.37 0.18 0.00 0.37 0.00 0.00 175.52 176.44 2k3s h ALA 71 N 0.89 1.39 0.06 6.16 0.00 -0.99 0.39 119.26 127.16 2k3s h ALA 71 Ca 0.12 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2k3s h ALA 71 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k3s h ALA 71 CO 0.03 0.45 -1.08 1.49 0.00 0.00 0.00 179.25 180.14 2k3s h GLU 72 N 0.71 0.17 -0.01 0.00 4.81 -0.93 -0.49 114.58 118.84 2k3s h GLU 72 Ca 0.17 -0.27 -0.22 0.00 -0.13 0.00 0.00 59.36 58.91 2k3s h GLU 72 Cb 0.17 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2k3s h GLU 72 CO -0.01 1.09 -0.92 -0.22 -0.73 0.00 0.00 179.01 178.22 2k3s h LYS 73 N 0.06 0.40 0.01 1.92 1.63 -0.40 -2.45 116.57 117.74 2k3s h LYS 73 Ca -0.07 -0.42 -0.40 0.00 -0.85 0.00 0.00 60.65 58.90 2k3s h LYS 73 Cb 1.80 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 33.49 2k3s h LYS 73 CO 0.16 1.09 -2.24 1.28 -3.45 0.00 0.00 179.45 176.29 2k3s n LEU 74 N -3.75 2.09 -0.00 5.20 4.77 0.09 -4.64 117.00 120.76 2k3s n LEU 74 Ca -0.06 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2k3s n LEU 74 Cb 0.82 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 2k3s n LEU 74 CO 0.51 0.57 -0.05 0.00 -1.33 0.00 0.00 177.39 177.09 2k3s n ALA 75 N -3.89 4.56 -3.24 -1.18 0.00 -0.39 -5.01 120.51 111.36 2k3s n ALA 75 Ca -0.48 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 2k3s n ALA 75 Cb 0.86 -0.71 0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.47 -6.78 -4.85 0.00 9.92 -0.33 -4.95 116.55 108.09 2k3s n ASP 76 Ca 0.04 -0.63 -0.32 0.00 -0.53 0.00 0.00 54.79 53.35 2k3s n ASP 76 Cb 0.31 -5.16 -0.04 0.00 -0.64 0.00 0.00 41.12 35.58 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3s s ALA 78 N -2.38 3.44 -1.38 0.00 0.00 -1.26 -4.71 121.76 115.48 2k3s s ALA 78 Ca 0.56 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 53.37 2k3s s ALA 78 Cb -0.10 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2k3s s ALA 78 CO 0.27 -0.36 2.50 1.04 0.00 0.00 0.00 175.76 179.21 2k3s n GLN 79 N 2.10 2.96 0.16 0.00 6.02 -1.26 -4.50 117.38 122.86 2k3s n GLN 79 Ca 0.03 -2.18 0.09 0.00 -0.01 0.00 0.00 57.00 54.93 2k3s n GLN 79 Cb 0.44 -2.92 0.08 0.00 1.02 0.00 0.00 30.24 28.87 2k3s n GLN 79 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2k3s h LEU 80 N 8.85 0.00 -8.68 1.08 3.38 -1.98 -3.45 115.31 114.51 2k3s h LEU 80 Ca 0.68 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.95 2k3s h LEU 80 Cb 0.42 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.88 2k3s h LEU 80 CO 1.79 0.15 -0.86 -0.76 0.09 0.00 0.00 178.44 178.85 2k3s s LEU 81 N -6.04 2.24 -0.12 1.67 1.43 -1.26 -5.08 118.68 111.51 2k3s s LEU 81 Ca 0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2k3s s LEU 81 Cb 0.07 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2k3s s LEU 81 CO 0.72 0.32 -0.13 -1.61 0.23 0.00 0.00 176.35 175.88 2k3s s GLU 82 N -0.61 3.26 0.11 1.70 2.02 -1.26 -5.04 118.70 118.88 2k3s s GLU 82 Ca 0.10 -0.69 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 2k3s s GLU 82 Cb -0.10 -2.59 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 2k3s s GLU 82 CO -0.00 0.27 1.63 0.28 0.02 0.00 0.00 175.26 177.46 2k3s h VAL 83 N 5.26 0.37 -0.98 2.63 2.07 -1.96 0.53 116.25 124.17 2k3s h VAL 83 Ca -0.28 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.34 2k3s h VAL 83 Cb 1.21 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2k3s h VAL 83 CO 0.55 0.00 0.62 -2.24 0.02 0.00 0.00 177.57 176.52 2k3s h ASP 84 N -0.50 0.92 -0.04 0.57 2.03 -1.96 -1.01 116.42 116.43 2k3s h ASP 84 Ca 0.03 0.03 -0.22 0.00 -0.73 0.00 0.00 57.03 56.14 2k3s h ASP 84 Cb 0.54 -0.16 0.02 0.00 -0.83 0.00 0.00 39.33 38.89 2k3s h ASP 84 CO -0.17 0.53 -0.83 -0.78 -1.03 0.00 0.00 179.24 176.96 2k3s h ASP 85 N 1.01 0.80 -0.74 4.15 3.58 -1.90 -2.46 116.42 120.86 2k3s h ASP 85 Ca 0.46 -0.71 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 2k3s h ASP 85 Cb 0.39 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2k3s h ASP 85 CO -0.22 1.40 0.26 0.24 -2.88 0.00 0.00 179.24 178.04 2k3s h MET 86 N 0.27 1.13 -0.18 0.28 2.86 -0.44 0.85 114.93 119.71 2k3s h MET 86 Ca -0.09 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.18 2k3s h MET 86 Cb 1.49 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2k3s h MET 86 CO 0.17 0.95 -0.48 0.28 1.06 0.00 0.00 176.91 178.88 2k3s h VAL 87 N 1.09 1.32 0.13 -2.22 2.07 -1.26 0.11 116.25 117.48 2k3s h VAL 87 Ca 0.24 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 2k3s h VAL 87 Cb 0.27 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2k3s h VAL 87 CO -0.01 0.53 -0.06 -0.09 0.02 0.00 0.00 177.57 177.95 2k3s h ARG 88 N 0.38 -0.17 0.00 1.57 2.43 -1.01 -3.11 114.38 114.48 2k3s h ARG 88 Ca 0.02 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2k3s h ARG 88 Cb 0.99 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2k3s h ARG 88 CO 0.09 0.21 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.40 2k3s h LEU 89 N -0.58 0.00 0.00 3.80 3.38 -0.87 -3.46 115.31 117.58 2k3s h LEU 89 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k3s h LEU 89 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k3s h LEU 89 CO 0.03 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.85 2k3s n ALA 90 N -2.29 0.00 -2.51 1.53 0.00 0.37 -4.78 120.51 112.83 2k3s n ALA 90 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2k3s n ALA 90 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 5.16 0.37 0.00 1.01 -1.26 -4.41 120.40 121.27 2k3s s VAL 91 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 2k3s s VAL 91 Cb 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 2k3s s VAL 91 CO 0.00 -0.24 1.07 -2.84 0.00 0.00 0.00 175.10 173.09 2k3s s PRO 92 N 1.99 4.27 0.12 2.72 0.02 -1.26 -4.99 135.00 137.87 2k3s s PRO 92 Ca 0.10 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.43 2k3s s PRO 92 Cb -0.17 -2.72 -0.08 0.00 0.02 0.00 0.00 34.50 31.55 2k3s s PRO 92 CO 0.12 -0.07 1.38 0.34 -0.33 0.00 0.00 177.00 178.44 2k3s s ASP 93 N -1.35 6.83 0.38 2.53 2.15 -1.26 -4.45 116.67 121.49 2k3s s ASP 93 Ca 0.54 2.34 0.06 0.00 0.43 0.00 0.00 52.55 55.92 2k3s s ASP 93 Cb -0.25 -2.59 0.78 0.00 -0.30 0.00 0.00 42.92 40.56 2k3s s ASP 93 CO 0.32 -0.64 1.99 0.28 -0.17 0.00 0.00 175.17 176.95 2k3s h SER 94 N 6.68 0.60 -0.41 -0.34 0.02 -1.95 -2.10 113.55 116.05 2k3s h SER 94 Ca -0.42 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.45 2k3s h SER 94 Cb 1.21 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2k3s h SER 94 CO 0.86 0.40 -0.04 0.50 -1.14 0.00 0.00 176.83 177.41 2k3s h LYS 95 N 0.69 0.75 -0.74 3.45 3.64 -1.91 -1.28 116.57 121.16 2k3s h LYS 95 Ca 0.26 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2k3s h LYS 95 Cb 0.17 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2k3s h LYS 95 CO -0.08 0.85 0.30 0.00 -2.27 0.00 0.00 179.45 178.26 2k3s h VAL 97 N 1.08 1.25 0.13 0.00 2.07 -1.19 -1.98 116.25 117.60 2k3s h VAL 97 Ca 0.25 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2k3s h VAL 97 Cb 0.20 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k3s h VAL 97 CO -0.02 0.32 -0.11 0.22 0.02 0.00 0.00 177.57 178.00 2k3s h TYR 98 N 0.65 -0.28 -0.63 1.57 3.20 -0.90 -1.30 116.97 119.28 2k3s h TYR 98 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2k3s h TYR 98 Cb 0.38 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2k3s h TYR 98 CO 0.03 -0.17 0.36 1.15 -1.64 0.00 0.00 178.16 177.89 2k3s h THR 99 N -0.25 1.18 -0.24 1.81 2.02 -1.37 0.45 112.91 116.51 2k3s h THR 99 Ca -0.00 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2k3s h THR 99 Cb 0.23 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2k3s h THR 99 CO -0.02 0.20 0.11 0.22 0.37 0.00 0.00 175.52 176.41 2k3s h TYR 100 N 0.87 0.35 0.00 3.16 3.20 -0.94 -2.70 116.97 120.91 2k3s h TYR 100 Ca 0.23 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 2k3s h TYR 100 Cb -0.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2k3s h TYR 100 CO 0.00 0.34 -0.67 0.82 -1.64 0.00 0.00 178.16 177.01 2k3s h ILE 101 N 0.25 1.38 0.30 1.81 1.08 -0.82 -2.84 117.51 118.67 2k3s h ILE 101 Ca 0.08 -2.39 -0.00 0.00 -0.39 0.00 0.00 64.86 62.16 2k3s h ILE 101 Cb 0.12 2.33 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 2k3s h ILE 101 CO -0.01 0.66 -0.45 -0.61 -0.69 0.00 0.00 178.15 177.05 2k3s h GLN 102 N 0.00 -0.76 0.00 2.37 4.15 0.19 0.53 115.11 121.60 2k3s h GLN 102 Ca -0.01 0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 2k3s h GLN 102 Cb 1.27 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 29.12 2k3s h GLN 102 CO 0.09 -0.50 -0.54 0.93 -1.93 0.00 0.00 178.83 176.88 2k3s h GLU 103 N -0.78 0.00 -0.23 1.69 3.07 -1.61 -2.66 114.58 114.05 2k3s h GLU 103 Ca -0.03 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2k3s h GLU 103 Cb 0.72 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2k3s h GLU 103 CO -0.14 0.54 0.07 1.25 -1.40 0.00 0.00 179.01 179.33 2k3s h LEU 104 N 0.00 0.34 -0.55 1.33 5.85 -1.22 -1.82 115.31 119.24 2k3s h LEU 104 Ca -0.01 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2k3s h LEU 104 Cb 1.03 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2k3s h LEU 104 CO 0.07 0.45 0.32 0.22 -0.34 0.00 0.00 178.44 179.16 2k3s h TYR 105 N 0.21 0.60 -0.35 1.25 3.20 0.18 -0.46 116.97 121.60 2k3s h TYR 105 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2k3s h TYR 105 Cb 0.23 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2k3s h TYR 105 CO 0.00 0.33 0.20 0.07 -1.64 0.00 0.00 178.16 177.13 2k3s h ARG 106 N 0.63 0.46 0.00 1.82 0.11 -1.25 -0.15 114.38 116.01 2k3s h ARG 106 Ca 0.22 -0.04 -0.15 0.00 0.10 0.00 0.00 59.98 60.12 2k3s h ARG 106 Cb 0.05 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.00 2k3s h ARG 106 CO -0.11 0.33 -0.73 0.77 0.10 0.00 0.00 179.97 180.34 2k3s h SER 107 N 0.47 0.00 0.66 0.08 0.02 -0.41 -2.86 113.55 111.50 2k3s h SER 107 Ca 0.13 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.88 2k3s h SER 107 Cb -0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2k3s h SER 107 CO -0.02 0.73 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.44 2k3s h LEU 108 N 0.00 0.20 -0.06 5.07 3.38 0.20 -2.91 115.31 121.19 2k3s h LEU 108 Ca -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2k3s h LEU 108 Cb 1.37 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2k3s h LEU 108 CO 0.09 0.98 -0.03 0.58 0.09 0.00 0.00 178.44 180.16 2k3s h VAL 109 N 0.08 1.32 0.00 1.22 2.07 -1.04 -0.61 116.25 119.29 2k3s h VAL 109 Ca -0.04 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2k3s h VAL 109 Cb 1.52 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2k3s h VAL 109 CO 0.13 0.28 0.00 0.00 0.02 0.00 0.00 177.57 178.00 2k3s n GLN 110 N -4.80 0.26 0.00 1.57 10.64 -1.09 -1.21 117.38 122.75 2k3s n GLN 110 Ca -0.07 0.12 0.11 0.00 -1.83 0.00 0.00 57.00 55.33 2k3s n GLN 110 Cb 0.25 -1.50 0.04 0.00 -0.86 0.00 0.00 30.24 28.16 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 -1.26 1.66 -1.19 2.61 4.76 -1.07 -4.95 118.16 118.71 2k3s n LYS 111 Ca 0.08 -1.35 -0.07 0.00 -2.87 0.00 0.00 58.31 54.10 2k3s n LYS 111 Cb 0.13 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 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 1.35 0.87 0.11 0.72 0.00 -0.35 -4.91 105.19 102.99 2k3s n GLY 112 Ca 0.11 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 0.35 -0.86 0.99 3.38 -1.31 -3.35 115.31 114.51 2k3s h LEU 113 Ca -0.14 -0.87 -0.09 0.00 0.09 0.00 0.00 57.88 56.87 2k3s h LEU 113 Cb 0.54 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2k3s h LEU 113 CO 0.20 1.48 -0.14 0.58 0.09 0.00 0.00 178.44 180.66 2k3s h VAL 114 N -0.44 1.26 -1.13 1.22 2.07 -1.79 -3.06 116.25 114.38 2k3s h VAL 114 Ca -0.23 -1.17 -0.61 0.00 0.82 0.00 0.00 66.70 65.51 2k3s h VAL 114 Cb 1.62 1.10 -0.16 0.00 -1.52 0.00 0.00 31.29 32.34 2k3s h VAL 114 CO 0.06 0.39 1.25 0.29 0.02 0.00 0.00 177.57 179.59 2k3s n LYS 115 N -4.16 3.39 0.23 1.57 5.02 -1.25 -4.57 118.16 118.37 2k3s n LYS 115 Ca 0.01 -2.87 0.08 0.00 -2.02 0.00 0.00 58.31 53.52 2k3s n LYS 115 Cb 0.37 -2.35 0.54 0.00 -0.02 0.00 0.00 35.03 33.56 2k3s n LYS 115 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2k3s h THR 116 N 2.25 0.84 -3.09 -0.18 2.02 -1.67 -3.42 112.91 109.66 2k3s h THR 116 Ca 0.53 -0.90 -0.60 0.00 0.77 0.00 0.00 66.41 66.20 2k3s h THR 116 Cb 0.53 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 2k3s h THR 116 CO 1.13 0.23 -0.20 -0.54 0.37 0.00 0.00 175.52 176.51 2k3s s LYS 117 N -4.12 4.02 0.07 6.66 1.02 -1.26 -5.02 119.74 121.11 2k3s s LYS 117 Ca -0.02 0.39 -0.31 0.00 0.02 0.00 0.00 55.97 56.05 2k3s s LYS 117 Cb 0.13 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 34.06 2k3s s LYS 117 CO 0.65 0.56 1.88 1.17 -0.92 0.00 0.00 175.35 178.69 2k3s n LYS 118 N 2.30 2.73 0.00 1.68 4.81 -1.26 -5.16 118.16 123.26 2k3s n LYS 118 Ca -0.13 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2k3s n LYS 118 Cb 0.52 -2.90 0.00 0.00 0.02 0.00 0.00 35.03 32.67 2k3s n LYS 118 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74