#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 -0.16 -4.02 1.61 0.11 -2.05 -3.27 132.00 124.22 2k3s h PRO 2 Ca 0.00 0.01 -0.73 0.00 0.11 0.00 0.00 66.00 65.39 2k3s h PRO 2 Cb 0.00 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 31.05 2k3s h PRO 2 CO 0.00 -0.11 2.51 1.28 -0.21 0.00 0.00 178.00 181.47 2k3s n LEU 3 N -5.18 6.51 -3.06 2.35 4.77 -1.26 -4.71 117.00 116.41 2k3s n LEU 3 Ca -0.07 -4.34 0.05 0.00 -0.03 0.00 0.00 56.01 51.62 2k3s n LEU 3 Cb 0.11 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 2k3s n LEU 3 CO 0.32 1.10 0.56 -0.83 -1.33 0.00 0.00 177.39 177.22 2k3s s GLY 4 N 2.36 -1.02 -0.06 -0.72 0.00 -1.24 -5.02 107.32 101.62 2k3s s GLY 4 Ca 0.44 2.08 -0.26 0.00 0.00 0.00 0.00 44.72 46.98 2k3s s GLY 4 CO -0.03 4.21 1.08 1.48 0.00 0.00 0.00 173.10 179.83 2k3s h SER 5 N 6.76 0.05 0.23 1.64 4.64 -1.88 -3.19 113.55 121.80 2k3s h SER 5 Ca -0.09 -0.70 -0.04 0.00 -0.47 0.00 0.00 61.79 60.49 2k3s h SER 5 Cb 1.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2k3s h SER 5 CO -0.12 0.74 -0.20 0.11 -0.87 0.00 0.00 176.83 176.48 2k3s h LYS 6 N -0.63 0.00 -0.57 4.77 1.57 -1.99 -2.14 116.57 117.58 2k3s h LYS 6 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3s h LYS 6 Cb 0.74 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2k3s h LYS 6 CO 0.01 0.20 0.35 -0.91 -0.57 0.00 0.00 179.45 178.54 2k3s h ASN 7 N 0.00 0.67 0.29 0.86 4.21 -1.94 0.24 115.58 119.90 2k3s h ASN 7 Ca -0.00 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 2k3s h ASN 7 Cb 0.38 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2k3s h ASN 7 CO 0.03 0.51 -0.14 -0.03 -1.29 0.00 0.00 177.43 176.50 2k3s h MET 8 N 0.78 -0.37 -0.42 0.81 1.85 -1.38 0.16 114.93 116.36 2k3s h MET 8 Ca 0.21 0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 59.24 2k3s h MET 8 Cb -0.05 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 2k3s h MET 8 CO -0.04 -0.19 -0.07 -0.07 -0.40 0.00 0.00 176.91 176.14 2k3s h LEU 9 N -0.47 0.70 -0.28 3.39 3.38 -1.54 -0.30 115.31 120.19 2k3s h LEU 9 Ca -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2k3s h LEU 9 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2k3s h LEU 9 CO 0.07 0.81 0.11 0.25 0.09 0.00 0.00 178.44 179.76 2k3s h LEU 10 N 0.66 0.39 -0.37 1.67 5.85 -0.78 -0.01 115.31 122.72 2k3s h LEU 10 Ca 0.12 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2k3s h LEU 10 Cb 0.51 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2k3s h LEU 10 CO 0.03 0.46 0.09 -0.08 -0.34 0.00 0.00 178.44 178.60 2k3s h GLU 11 N 0.30 0.59 -0.64 1.25 4.22 -0.45 0.13 114.58 119.98 2k3s h GLU 11 Ca 0.09 -0.14 0.02 0.00 0.08 0.00 0.00 59.36 59.41 2k3s h GLU 11 Cb 0.20 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2k3s h GLU 11 CO -0.01 0.63 0.41 2.35 -2.18 0.00 0.00 179.01 180.21 2k3s h TRP 12 N 0.45 0.76 -0.02 0.92 7.01 -0.91 -0.53 115.95 123.64 2k3s h TRP 12 Ca 0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2k3s h TRP 12 Cb 0.30 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2k3s h TRP 12 CO 0.02 0.46 -0.01 0.00 -2.79 0.00 0.00 178.44 176.11 2k3s h ARG 14 N -0.38 0.28 0.00 0.00 2.43 -0.54 0.39 114.38 116.57 2k3s h ARG 14 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k3s h ARG 14 Cb 0.43 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k3s h ARG 14 CO 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 179.97 178.65 2k3s h ALA 15 N 1.80 1.00 0.00 2.80 0.00 -1.05 -3.00 119.26 120.81 2k3s h ALA 15 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2k3s h ALA 15 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k3s h ALA 15 CO -0.03 0.00 -1.19 -1.33 0.00 0.00 0.00 179.25 176.69 2k3s n MET 16 N -2.76 0.08 0.05 0.00 2.81 -0.29 -4.69 117.12 112.32 2k3s n MET 16 Ca 0.01 0.03 0.08 0.00 -1.81 0.00 0.00 57.70 56.01 2k3s n MET 16 Cb 0.25 -0.83 0.36 0.00 -0.71 0.00 0.00 33.22 32.29 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 -2.90 1.05 0.41 2.03 -1.04 0.12 -2.04 114.28 111.90 2k3s n THR 17 Ca -0.06 0.30 0.11 0.00 -2.04 0.00 0.00 64.05 62.36 2k3s n THR 17 Cb 0.56 -1.15 0.46 0.00 -1.82 0.00 0.00 70.33 68.38 2k3s n THR 17 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2k3s n ARG 18 N -1.79 0.16 0.04 -2.82 0.63 -1.13 -1.59 116.66 110.17 2k3s n ARG 18 Ca 0.02 0.40 0.12 0.00 -0.92 0.00 0.00 57.85 57.48 2k3s n ARG 18 Cb 0.16 -1.81 0.49 0.00 0.45 0.00 0.00 32.46 31.75 2k3s n ARG 18 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k3s n ASN 19 N -2.12 0.30 -4.70 6.15 2.85 -0.87 -4.72 115.26 112.15 2k3s n ASN 19 Ca 0.02 0.54 -0.38 0.00 -0.11 0.00 0.00 54.58 54.65 2k3s n ASN 19 Cb 0.21 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.55 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2k3s s TYR 20 N -3.06 3.45 0.41 1.20 2.02 -0.62 -5.06 117.35 115.69 2k3s s TYR 20 Ca 0.11 0.79 -0.24 0.00 -0.37 0.00 0.00 57.07 57.36 2k3s s TYR 20 Cb 0.15 -2.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.06 2k3s s TYR 20 CO 0.49 0.08 1.04 -1.21 -1.57 0.00 0.00 175.55 174.38 2k3s s GLU 21 N 0.97 4.15 -1.04 -0.62 8.01 -1.26 -3.27 118.70 125.63 2k3s s GLU 21 Ca 0.24 1.47 0.00 0.00 0.01 0.00 0.00 54.97 56.69 2k3s s GLU 21 Cb -0.15 -2.49 0.00 0.00 -4.31 0.00 0.00 34.13 27.18 2k3s s GLU 21 CO 0.09 -0.14 0.00 1.58 0.01 0.00 0.00 175.26 176.80 2k3s n HIS 22 N -0.15 0.00 -4.04 1.61 -0.00 -1.26 -4.99 115.22 106.39 2k3s n HIS 22 Ca 0.05 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.92 2k3s n HIS 22 Cb 0.50 -1.98 -0.16 0.00 -0.12 0.00 0.00 29.99 28.23 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 -2.29 1.75 0.10 3.57 1.01 -1.20 -5.11 120.40 118.23 2k3s s VAL 23 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.16 2k3s s VAL 23 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2k3s s VAL 23 CO 0.00 0.34 -0.17 1.51 0.00 0.00 0.00 175.10 176.78 2k3s s ASP 24 N 1.38 3.91 -0.35 3.32 -4.77 -1.26 -4.83 116.67 114.07 2k3s s ASP 24 Ca 0.02 -0.53 0.01 0.00 -3.30 0.00 0.00 52.55 48.75 2k3s s ASP 24 Cb -0.15 -0.58 0.11 0.00 -1.09 0.00 0.00 42.92 41.22 2k3s s ASP 24 CO -0.10 0.19 0.13 -0.63 0.70 0.00 0.00 175.17 175.46 2k3s s ILE 25 N -1.12 1.25 -0.25 2.11 1.01 -1.26 -4.76 121.20 118.17 2k3s s ILE 25 Ca 0.18 -1.89 -0.16 0.00 0.00 0.00 0.00 60.65 58.78 2k3s s ILE 25 Cb -0.11 -1.92 -0.12 0.00 0.01 0.00 0.00 42.46 40.32 2k3s s ILE 25 CO 0.10 -0.73 -0.26 1.67 0.00 0.00 0.00 174.94 175.72 2k3s n GLN 26 N 4.37 0.58 -3.82 2.79 7.27 -1.26 -5.01 117.38 122.30 2k3s n GLN 26 Ca 0.02 0.32 -0.09 0.00 0.07 0.00 0.00 57.00 57.32 2k3s n GLN 26 Cb 0.40 -1.53 -0.03 0.00 2.41 0.00 0.00 30.24 31.48 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 -7.19 -0.25 0.00 1.69 2.47 -1.26 -5.04 114.94 105.36 2k3s s ASN 27 Ca -0.36 -0.59 -0.04 0.00 0.42 0.00 0.00 52.86 52.29 2k3s s ASN 27 Cb 0.12 0.64 -0.20 0.00 -1.45 0.00 0.00 41.25 40.37 2k3s s ASN 27 CO 0.49 -1.19 2.99 0.49 -3.72 0.00 0.00 177.10 176.17 2k3s n PHE 28 N -0.40 0.00 0.00 0.43 3.72 -1.26 -3.73 117.46 116.22 2k3s n PHE 28 Ca -0.06 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 2k3s n PHE 28 Cb 0.61 -1.28 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 2.39 0.00 -0.16 4.37 7.64 -1.26 -3.39 113.62 123.21 2k3s n SER 29 Ca 0.31 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.12 2k3s n SER 29 Cb 0.74 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.57 0.00 6.43 0.02 -1.86 -1.72 113.55 116.99 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 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2k3s h SER 30 CO 0.00 0.46 0.00 -1.54 -1.14 0.00 0.00 176.83 174.61 2k3s n SER 31 N -4.71 0.00 -0.05 3.07 3.41 -1.24 -2.28 113.62 111.81 2k3s n SER 31 Ca 0.02 -0.84 0.04 0.00 -0.26 0.00 0.00 58.87 57.82 2k3s n SER 31 Cb 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.90 0.00 0.11 7.33 7.02 -0.67 -4.71 117.44 125.62 2k3s n TRP 32 Ca 0.13 -0.63 -0.01 0.00 -1.02 0.00 0.00 57.50 55.97 2k3s n TRP 32 Cb 0.06 -0.08 0.24 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.00 0.19 1.18 -0.99 0.87 -1.14 -2.80 113.55 110.87 2k3s h SER 33 Ca 0.00 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.32 2k3s h SER 33 Cb 0.76 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2k3s h SER 33 CO 0.00 0.60 -0.74 0.77 -0.53 0.00 0.00 176.83 176.93 2k3s h SER 34 N 0.15 0.00 0.00 6.23 4.64 -1.84 -3.47 113.55 119.26 2k3s h SER 34 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2k3s h SER 34 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2k3s h SER 34 CO 0.06 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2k3s n GLY 35 N 1.19 1.59 0.23 -0.77 0.00 -1.06 -4.84 105.19 101.53 2k3s n GLY 35 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 2.84 0.06 -0.32 1.61 2.86 -1.91 -2.03 114.93 118.05 2k3s h MET 36 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k3s h MET 36 Cb 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2k3s h MET 36 CO 0.00 0.22 0.18 0.00 1.06 0.00 0.00 176.91 178.37 2k3s h ALA 37 N 1.79 1.72 0.48 6.32 0.00 -1.89 0.73 119.26 128.41 2k3s h ALA 37 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k3s h ALA 37 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k3s h ALA 37 CO 0.02 0.24 -0.23 0.74 0.00 0.00 0.00 179.25 180.02 2k3s h PHE 38 N 0.43 -0.60 -0.45 0.00 0.04 -1.76 -1.31 116.94 113.30 2k3s h PHE 38 Ca 0.11 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 2k3s h PHE 38 Cb 0.00 0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2k3s h PHE 38 CO 0.00 -0.30 0.09 0.00 -0.60 0.00 0.00 178.31 177.50 2k3s h ALA 40 N 1.45 0.92 -0.09 0.00 0.00 -0.73 0.17 119.26 120.97 2k3s h ALA 40 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2k3s h ALA 40 Cb 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k3s h ALA 40 CO -0.00 0.43 -0.18 1.25 0.00 0.00 0.00 179.25 180.75 2k3s h LEU 41 N 0.99 0.32 -1.02 0.00 5.85 -0.80 -2.92 115.31 117.73 2k3s h LEU 41 Ca 0.25 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2k3s h LEU 41 Cb 0.03 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2k3s h LEU 41 CO -0.04 0.82 0.49 0.40 -0.34 0.00 0.00 178.44 179.77 2k3s h ILE 42 N -0.16 1.24 0.00 4.05 1.08 -1.04 -1.41 117.51 121.27 2k3s h ILE 42 Ca 0.00 -0.57 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2k3s h ILE 42 Cb 0.76 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2k3s h ILE 42 CO 0.04 0.26 -0.09 -0.74 -0.69 0.00 0.00 178.15 176.93 2k3s h HIS 43 N 1.18 0.00 0.00 1.37 2.76 -0.66 0.97 115.15 120.77 2k3s h HIS 43 Ca 0.30 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.34 2k3s h HIS 43 Cb -0.01 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 2k3s h HIS 43 CO 0.01 0.09 -0.62 -0.22 -1.30 0.00 0.00 177.93 175.89 2k3s h LYS 44 N 0.00 0.00 0.11 5.26 1.63 -1.05 -3.24 116.57 119.28 2k3s h LYS 44 Ca -0.00 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 2k3s h LYS 44 Cb 0.28 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2k3s h LYS 44 CO 0.01 0.62 -2.00 1.19 -3.45 0.00 0.00 179.45 175.82 2k3s n PHE 45 N -3.64 1.20 -3.88 1.91 3.72 -0.64 -4.78 117.46 111.35 2k3s n PHE 45 Ca -0.01 0.26 -0.30 0.00 -0.05 0.00 0.00 57.45 57.35 2k3s n PHE 45 Cb 0.65 -1.16 -0.15 0.00 -0.94 0.00 0.00 39.48 37.88 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 -2.56 2.59 0.32 1.38 0.08 0.24 -4.98 117.98 115.05 2k3s s PHE 46 Ca -0.22 -2.19 0.13 0.00 0.12 0.00 0.00 56.93 54.77 2k3s s PHE 46 Cb 0.07 -2.12 0.63 0.00 -0.57 0.00 0.00 43.02 41.03 2k3s s PHE 46 CO 0.77 -0.88 1.76 -1.35 -0.10 0.00 0.00 175.22 175.41 2k3s h PRO 47 N 7.89 0.00 -0.01 0.24 0.11 -1.83 -2.67 132.00 135.73 2k3s h PRO 47 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 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 0.48 0.44 -0.02 -1.91 -0.21 0.00 0.00 178.00 176.77 2k3s n GLU 48 N -3.92 1.29 0.31 1.05 2.13 -1.26 -4.10 120.64 116.15 2k3s n GLU 48 Ca -0.01 -0.54 -0.16 0.00 0.66 0.00 0.00 57.16 57.10 2k3s n GLU 48 Cb 0.48 -1.49 -0.08 0.00 0.27 0.00 0.00 31.44 30.61 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 4.12 -0.78 -2.06 4.31 0.00 -1.84 -3.48 119.26 119.53 2k3s h ALA 49 Ca 0.00 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.90 2k3s h ALA 49 Cb 0.32 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 2k3s h ALA 49 CO 0.00 -0.87 0.59 -0.59 0.00 0.00 0.00 179.25 178.37 2k3s s PHE 50 N -5.51 -0.21 -0.40 0.00 -0.12 -1.26 -5.05 117.98 105.42 2k3s s PHE 50 Ca -0.16 0.04 -0.19 0.00 -0.05 0.00 0.00 56.93 56.58 2k3s s PHE 50 Cb 0.03 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2k3s s PHE 50 CO 0.57 -0.53 0.53 0.16 -0.05 0.00 0.00 175.22 175.90 2k3s s ASP 51 N -2.63 6.28 0.19 1.98 1.47 -1.26 -4.93 116.67 117.77 2k3s s ASP 51 Ca 0.09 -0.33 -0.06 0.00 1.18 0.00 0.00 52.55 53.43 2k3s s ASP 51 Cb -0.00 -2.27 0.10 0.00 -0.34 0.00 0.00 42.92 40.40 2k3s s ASP 51 CO -0.04 -0.60 1.55 0.22 0.68 0.00 0.00 175.17 176.97 2k3s h TYR 52 N 8.68 0.90 0.00 2.11 3.20 -1.95 -2.74 116.97 127.17 2k3s h TYR 52 Ca -0.27 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.33 2k3s h TYR 52 Cb 1.11 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 2k3s h TYR 52 CO 0.69 1.02 -0.05 0.00 -1.64 0.00 0.00 178.16 178.17 2k3s h ALA 53 N 0.95 1.09 -0.02 1.82 0.00 -2.02 -1.49 119.26 119.60 2k3s h ALA 53 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k3s h ALA 53 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k3s h ALA 53 CO 0.08 0.07 -0.10 0.39 0.00 0.00 0.00 179.25 179.69 2k3s n GLU 54 N -3.28 1.61 -2.73 0.00 -0.58 -1.05 -4.91 120.64 109.72 2k3s n GLU 54 Ca -0.01 -1.10 -0.41 0.00 -0.42 0.00 0.00 57.16 55.22 2k3s n GLU 54 Cb 0.23 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.14 4.55 -0.26 -4.62 1.43 -0.56 -5.04 118.68 112.04 2k3s s LEU 55 Ca 0.31 1.86 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 2k3s s LEU 55 Cb 0.20 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 2k3s s LEU 55 CO 0.39 0.00 0.15 -1.81 0.23 0.00 0.00 176.35 175.30 2k3s s ASP 56 N -0.39 5.81 0.64 2.29 1.11 -1.26 -4.97 116.67 119.91 2k3s s ASP 56 Ca 0.45 -0.02 0.40 0.00 0.18 0.00 0.00 52.55 53.56 2k3s s ASP 56 Cb -0.24 -2.06 2.25 0.00 1.07 0.00 0.00 42.92 43.94 2k3s s ASP 56 CO 0.31 -0.00 2.34 1.55 1.18 0.00 0.00 175.17 180.54 2k3s h PRO 57 N 8.02 0.00 0.00 8.23 0.13 -1.98 -0.13 132.00 146.28 2k3s h PRO 57 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2k3s h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k3s h PRO 57 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 2k3s n ALA 58 N -2.15 2.24 -2.36 -0.56 0.00 -1.26 -3.47 120.51 112.95 2k3s n ALA 58 Ca -0.03 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2k3s n ALA 58 Cb 0.08 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.36 3.29 -0.06 0.00 5.02 -0.06 -4.81 118.16 120.18 2k3s n LYS 59 Ca 0.10 -4.30 0.11 0.00 -2.02 0.00 0.00 58.31 52.19 2k3s n LYS 59 Cb 0.23 -2.25 0.50 0.00 -0.02 0.00 0.00 35.03 33.49 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 2.66 0.40 -0.48 1.97 3.08 -1.73 0.94 114.38 121.22 2k3s h ARG 60 Ca 0.36 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.39 2k3s h ARG 60 Cb 0.75 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2k3s h ARG 60 CO 0.97 0.27 0.31 0.00 -1.07 0.00 0.00 179.97 180.44 2k3s h ARG 61 N 0.41 0.60 -0.05 0.04 3.08 -1.92 0.19 114.38 116.73 2k3s h ARG 61 Ca 0.25 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 2k3s h ARG 61 Cb 0.43 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2k3s h ARG 61 CO -0.06 0.40 -0.80 0.45 -1.07 0.00 0.00 179.97 178.89 2k3s h HIS 62 N 0.62 0.52 0.33 3.04 3.86 -1.70 -2.72 115.15 119.12 2k3s h HIS 62 Ca 0.18 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2k3s h HIS 62 Cb -0.04 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 2k3s h HIS 62 CO -0.05 1.03 -0.20 -0.97 0.86 0.00 0.00 177.93 178.59 2k3s h ASN 63 N 0.24 -0.51 -0.57 2.45 -1.24 -0.29 0.16 115.58 115.82 2k3s h ASN 63 Ca -0.04 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.01 2k3s h ASN 63 Cb 1.39 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 40.56 2k3s h ASN 63 CO 0.13 -0.33 0.36 -0.26 -1.29 0.00 0.00 177.43 176.05 2k3s h PHE 64 N -0.51 0.68 -0.44 0.67 0.04 -0.70 -1.31 116.94 115.36 2k3s h PHE 64 Ca -0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 2k3s h PHE 64 Cb 0.42 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2k3s h PHE 64 CO -0.09 0.41 0.27 1.15 -0.60 0.00 0.00 178.31 179.45 2k3s h THR 65 N 0.72 1.13 -0.74 -1.55 2.02 -1.25 -2.28 112.91 110.96 2k3s h THR 65 Ca 0.22 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2k3s h THR 65 Cb -0.02 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2k3s h THR 65 CO -0.08 0.13 0.38 0.25 0.37 0.00 0.00 175.52 176.58 2k3s h LEU 66 N 0.59 0.95 0.46 2.58 5.85 -0.30 -0.81 115.31 124.62 2k3s h LEU 66 Ca 0.16 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2k3s h LEU 66 Cb -0.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2k3s h LEU 66 CO -0.03 0.79 -0.22 0.00 -0.34 0.00 0.00 178.44 178.64 2k3s h ALA 67 N 1.19 -0.61 0.12 1.25 0.00 -0.99 -1.55 119.26 118.67 2k3s h ALA 67 Ca 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2k3s h ALA 67 Cb 0.07 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k3s h ALA 67 CO -0.04 -0.83 -0.06 0.74 0.00 0.00 0.00 179.25 179.07 2k3s h PHE 68 N -0.64 -0.15 -0.29 0.00 0.04 -1.33 -0.87 116.94 113.70 2k3s h PHE 68 Ca -0.06 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.75 2k3s h PHE 68 Cb 0.49 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 2k3s h PHE 68 CO -0.04 0.00 0.05 0.66 -0.60 0.00 0.00 178.31 178.39 2k3s h SER 69 N -0.27 -0.00 -0.65 2.17 4.64 -1.18 0.55 113.55 118.81 2k3s h SER 69 Ca -0.02 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 2k3s h SER 69 Cb 0.22 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2k3s h SER 69 CO 0.03 0.03 0.06 0.74 -0.87 0.00 0.00 176.83 176.82 2k3s h THR 70 N 0.16 1.27 -0.60 2.95 2.02 -1.26 0.24 112.91 117.69 2k3s h THR 70 Ca 0.14 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 2k3s h THR 70 Cb 0.15 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 2k3s h THR 70 CO -0.18 0.41 0.34 0.00 0.37 0.00 0.00 175.52 176.45 2k3s h ALA 71 N 1.02 0.76 -0.29 6.16 0.00 -0.63 0.14 119.26 126.43 2k3s h ALA 71 Ca 0.19 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2k3s h ALA 71 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k3s h ALA 71 CO 0.02 0.27 -0.40 1.49 0.00 0.00 0.00 179.25 180.63 2k3s h GLU 72 N 0.81 0.79 -0.18 0.00 4.81 -0.66 0.43 114.58 120.58 2k3s h GLU 72 Ca 0.21 -0.46 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 2k3s h GLU 72 Cb 0.02 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k3s h GLU 72 CO -0.04 1.09 -0.29 -0.22 -0.73 0.00 0.00 179.01 178.82 2k3s h LYS 73 N 0.55 0.34 0.00 1.92 1.63 -0.20 0.97 116.57 121.77 2k3s h LYS 73 Ca 0.03 -0.13 -0.36 0.00 -0.85 0.00 0.00 60.65 59.34 2k3s h LYS 73 Cb 1.00 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.54 2k3s h LYS 73 CO 0.09 0.61 -2.35 1.28 -3.45 0.00 0.00 179.45 175.63 2k3s n LEU 74 N -4.11 1.11 -0.12 5.20 4.77 0.47 -4.64 117.00 119.69 2k3s n LEU 74 Ca -0.01 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2k3s n LEU 74 Cb 0.41 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2k3s n LEU 74 CO 0.41 0.64 0.33 0.00 -1.33 0.00 0.00 177.39 177.44 2k3s n ALA 75 N -2.90 2.44 -3.73 -1.18 0.00 0.15 -5.01 120.51 110.28 2k3s n ALA 75 Ca -0.36 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.25 2k3s n ALA 75 Cb 1.07 -0.10 0.04 0.00 0.00 0.00 0.00 19.45 20.46 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 0.11 -3.35 -4.79 0.00 2.03 0.33 -4.92 116.55 105.97 2k3s n ASP 76 Ca 0.02 -0.74 -0.34 0.00 0.52 0.00 0.00 54.79 54.26 2k3s n ASP 76 Cb 0.10 -4.28 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 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 -2.18 3.31 -1.35 0.00 0.00 -1.26 -4.61 121.76 115.67 2k3s s ALA 78 Ca 0.67 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 2k3s s ALA 78 Cb -0.18 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2k3s s ALA 78 CO 0.32 0.22 1.91 1.04 0.00 0.00 0.00 175.76 179.25 2k3s n GLN 79 N 1.08 3.05 0.09 0.00 3.00 -1.26 -4.65 117.38 118.69 2k3s n GLN 79 Ca -0.01 -3.03 0.13 0.00 -0.01 0.00 0.00 57.00 54.08 2k3s n GLN 79 Cb 0.49 -3.43 0.33 0.00 0.00 0.00 0.00 30.24 27.63 2k3s n GLN 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2k3s n LEU 80 N 7.68 0.80 -4.02 1.08 4.77 -1.26 -4.83 117.00 121.22 2k3s n LEU 80 Ca 0.50 0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 2k3s n LEU 80 Cb 0.44 -0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 2k3s n LEU 80 CO 0.82 -0.15 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.57 2k3s s LEU 81 N -4.47 2.19 -0.03 2.23 1.43 -1.26 -5.06 118.68 113.70 2k3s s LEU 81 Ca 0.09 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2k3s s LEU 81 Cb 0.12 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.16 2k3s s LEU 81 CO 0.63 -0.14 -0.06 -1.61 0.23 0.00 0.00 176.35 175.40 2k3s s GLU 82 N -1.17 2.66 0.07 1.70 2.02 -1.26 -5.05 118.70 117.68 2k3s s GLU 82 Ca -0.07 -0.63 -0.32 0.00 0.02 0.00 0.00 54.97 53.97 2k3s s GLU 82 Cb -0.08 -2.55 -0.19 0.00 0.10 0.00 0.00 34.13 31.41 2k3s s GLU 82 CO 0.00 0.64 1.59 0.28 0.02 0.00 0.00 175.26 177.79 2k3s h VAL 83 N 4.00 0.38 -0.06 2.63 2.07 -1.97 0.48 116.25 123.77 2k3s h VAL 83 Ca -0.49 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2k3s h VAL 83 Cb 1.17 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2k3s h VAL 83 CO 0.53 0.01 0.04 -2.24 0.02 0.00 0.00 177.57 175.93 2k3s h ASP 84 N -0.87 0.07 0.00 0.57 2.03 -1.96 -1.37 116.42 114.89 2k3s h ASP 84 Ca -0.09 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.18 2k3s h ASP 84 Cb 0.65 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 2k3s h ASP 84 CO 0.14 0.06 -0.12 -0.78 -1.03 0.00 0.00 179.24 177.51 2k3s h ASP 85 N 0.09 0.10 -0.25 4.15 1.82 -1.94 -3.03 116.42 117.36 2k3s h ASP 85 Ca 0.02 -0.82 0.02 0.00 -0.39 0.00 0.00 57.03 55.86 2k3s h ASP 85 Cb -0.01 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 2k3s h ASP 85 CO -0.00 0.91 0.12 0.24 -1.61 0.00 0.00 179.24 178.89 2k3s h MET 86 N -0.70 0.24 -0.51 0.28 2.86 -0.54 -0.14 114.93 116.41 2k3s h MET 86 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2k3s h MET 86 Cb 0.93 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 2k3s h MET 86 CO 0.02 0.16 0.29 0.28 1.06 0.00 0.00 176.91 178.72 2k3s h VAL 87 N 0.25 1.15 -0.39 -2.22 2.07 -1.39 0.88 116.25 116.60 2k3s h VAL 87 Ca 0.10 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 2k3s h VAL 87 Cb 0.03 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2k3s h VAL 87 CO -0.07 0.17 -0.33 -0.09 0.02 0.00 0.00 177.57 177.27 2k3s h ARG 88 N 0.71 0.91 -0.02 1.57 2.43 -1.26 -3.08 114.38 115.63 2k3s h ARG 88 Ca 0.18 -0.46 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 2k3s h ARG 88 Cb 0.01 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2k3s h ARG 88 CO -0.03 1.11 -0.69 -0.07 -1.51 0.00 0.00 179.97 178.78 2k3s h LEU 89 N 0.73 0.14 0.00 3.80 3.38 -0.42 -3.47 115.31 119.47 2k3s h LEU 89 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k3s h LEU 89 Cb 0.91 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2k3s h LEU 89 CO 0.08 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2k3s n ALA 90 N -2.44 0.00 -3.51 1.53 0.00 0.25 -4.77 120.51 111.57 2k3s n ALA 90 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 2k3s n ALA 90 Cb 0.67 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 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 3.62 0.44 0.00 1.01 -1.26 -4.37 120.40 119.85 2k3s s VAL 91 Ca 0.00 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.16 2k3s s VAL 91 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 2k3s s VAL 91 CO 0.00 -0.45 1.21 -2.84 0.00 0.00 0.00 175.10 173.02 2k3s s PRO 92 N 1.30 3.83 0.23 2.72 0.02 -1.26 -4.99 135.00 136.84 2k3s s PRO 92 Ca 0.03 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2k3s s PRO 92 Cb -0.22 -2.54 -0.09 0.00 0.02 0.00 0.00 34.50 31.67 2k3s s PRO 92 CO -0.01 -0.53 1.24 0.34 -0.33 0.00 0.00 177.00 177.71 2k3s s ASP 93 N -1.14 7.00 0.54 2.53 2.15 -1.26 -4.22 116.67 122.28 2k3s s ASP 93 Ca 0.61 2.37 0.22 0.00 0.43 0.00 0.00 52.55 56.18 2k3s s ASP 93 Cb -0.32 -2.62 1.47 0.00 -0.30 0.00 0.00 42.92 41.15 2k3s s ASP 93 CO 0.40 -0.41 2.17 0.28 -0.17 0.00 0.00 175.17 177.43 2k3s h SER 94 N 4.78 0.00 -0.04 -0.34 0.02 -1.94 -2.49 113.55 113.54 2k3s h SER 94 Ca -0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2k3s h SER 94 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2k3s h SER 94 CO 0.73 0.03 -0.10 0.50 -1.14 0.00 0.00 176.83 176.84 2k3s h LYS 95 N 0.00 0.14 -0.52 3.45 3.64 -1.91 -1.04 116.57 120.34 2k3s h LYS 95 Ca -0.00 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2k3s h LYS 95 Cb 0.06 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2k3s h LYS 95 CO 0.00 0.71 0.29 0.00 -2.27 0.00 0.00 179.45 178.18 2k3s h VAL 97 N 0.57 1.27 0.00 0.00 2.07 -1.52 -1.84 116.25 116.81 2k3s h VAL 97 Ca 0.22 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2k3s h VAL 97 Cb 0.07 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2k3s h VAL 97 CO -0.12 0.38 -0.06 0.22 0.02 0.00 0.00 177.57 178.01 2k3s h TYR 98 N 0.62 -0.16 -0.85 1.57 3.20 -0.70 -0.81 116.97 119.84 2k3s h TYR 98 Ca 0.12 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.01 2k3s h TYR 98 Cb 0.55 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 2k3s h TYR 98 CO 0.04 -0.10 0.56 1.15 -1.64 0.00 0.00 178.16 178.17 2k3s h THR 99 N -0.12 1.18 -0.03 1.81 2.02 -0.84 0.35 112.91 117.29 2k3s h THR 99 Ca 0.02 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2k3s h THR 99 Cb 0.15 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2k3s h THR 99 CO -0.06 0.20 0.02 0.22 0.37 0.00 0.00 175.52 176.27 2k3s h TYR 100 N 1.11 0.04 -0.26 3.16 3.20 -0.90 -0.46 116.97 122.87 2k3s h TYR 100 Ca 0.32 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.06 2k3s h TYR 100 Cb -0.07 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2k3s h TYR 100 CO -0.02 0.08 -0.40 0.82 -1.64 0.00 0.00 178.16 177.00 2k3s h ILE 101 N -0.00 1.30 0.25 1.81 1.08 -0.87 -1.92 117.51 119.15 2k3s h ILE 101 Ca 0.01 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 2k3s h ILE 101 Cb 0.04 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2k3s h ILE 101 CO -0.00 0.50 -0.12 -0.61 -0.69 0.00 0.00 178.15 177.23 2k3s h GLN 102 N 0.50 -0.32 -0.41 2.37 4.15 -0.05 0.18 115.11 121.53 2k3s h GLN 102 Ca 0.04 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 2k3s h GLN 102 Cb 0.91 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 2k3s h GLN 102 CO 0.08 -0.19 -0.08 1.49 -1.93 0.00 0.00 178.83 178.20 2k3s h GLU 103 N -0.36 0.71 -0.28 1.69 4.57 -1.09 -2.48 114.58 117.34 2k3s h GLU 103 Ca -0.03 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.85 2k3s h GLU 103 Cb 0.27 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2k3s h GLU 103 CO 0.06 0.78 -0.16 1.25 -1.18 0.00 0.00 179.01 179.75 2k3s h LEU 104 N 0.65 0.48 -1.67 1.64 5.85 -1.10 -2.34 115.31 118.82 2k3s h LEU 104 Ca 0.12 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k3s h LEU 104 Cb 0.53 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2k3s h LEU 104 CO 0.03 0.67 0.25 0.22 -0.34 0.00 0.00 178.44 179.27 2k3s h TYR 105 N 0.45 0.42 -0.03 1.25 3.20 -0.17 -0.31 116.97 121.79 2k3s h TYR 105 Ca 0.08 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2k3s h TYR 105 Cb 0.55 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2k3s h TYR 105 CO 0.02 0.25 -0.39 0.00 -1.64 0.00 0.00 178.16 176.40 2k3s h ARG 106 N 0.44 0.05 0.00 1.82 3.08 -1.32 -1.32 114.38 117.14 2k3s h ARG 106 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2k3s h ARG 106 Cb 0.05 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2k3s h ARG 106 CO -0.03 0.44 0.00 0.43 -1.07 0.00 0.00 179.97 179.73 2k3s n SER 107 N -4.07 0.00 -0.08 7.04 7.64 -0.15 -3.36 113.62 120.64 2k3s n SER 107 Ca -0.02 0.21 -0.19 0.00 1.01 0.00 0.00 58.87 59.89 2k3s n SER 107 Cb 0.43 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 2k3s n SER 107 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k3s n LEU 108 N -1.40 2.72 -0.25 -3.43 4.77 -0.56 -4.00 117.00 114.85 2k3s n LEU 108 Ca 0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 2k3s n LEU 108 Cb 0.29 -0.92 0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2k3s n LEU 108 CO 0.25 0.88 0.97 0.58 -1.33 0.00 0.00 177.39 178.74 2k3s h VAL 109 N 0.03 1.26 0.00 4.08 2.07 -1.45 -1.04 116.25 121.19 2k3s h VAL 109 Ca -0.52 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2k3s h VAL 109 Cb 1.96 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2k3s h VAL 109 CO -0.02 0.34 -0.23 0.06 0.02 0.00 0.00 177.57 177.75 2k3s h GLN 110 N 1.01 0.00 -0.00 1.57 3.07 -1.76 -1.30 115.11 117.70 2k3s h GLN 110 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2k3s h GLN 110 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2k3s h GLN 110 CO -0.01 0.23 -0.24 1.63 0.09 0.00 0.00 178.83 180.53 2k3s n LYS 111 N -4.25 0.30 -1.05 0.06 4.76 -0.97 -4.91 118.16 112.10 2k3s n LYS 111 Ca -0.02 -0.12 -0.02 0.00 -2.87 0.00 0.00 58.31 55.28 2k3s n LYS 111 Cb 0.28 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 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 1.42 0.53 0.23 0.72 0.00 -0.49 -4.91 105.19 102.69 2k3s n GLY 112 Ca 0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 0.52 -0.48 0.99 3.38 -1.44 -2.05 115.31 116.23 2k3s h LEU 113 Ca -0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2k3s h LEU 113 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k3s h LEU 113 CO 0.05 0.83 0.00 0.58 0.09 0.00 0.00 178.44 179.99 2k3s h VAL 114 N 0.42 0.00 -1.13 1.22 2.07 -1.87 -3.19 116.25 113.78 2k3s h VAL 114 Ca 0.05 -0.70 -0.55 0.00 0.82 0.00 0.00 66.70 66.31 2k3s h VAL 114 Cb 0.81 1.68 -0.21 0.00 -1.52 0.00 0.00 31.29 32.05 2k3s h VAL 114 CO 0.07 0.00 0.63 0.29 0.02 0.00 0.00 177.57 178.58 2k3s n LYS 115 N -2.88 2.39 0.28 1.57 5.02 -0.77 -4.54 118.16 119.24 2k3s n LYS 115 Ca 0.03 -2.59 0.16 0.00 -2.02 0.00 0.00 58.31 53.88 2k3s n LYS 115 Cb 0.42 -2.08 0.82 0.00 -0.02 0.00 0.00 35.03 34.17 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 1.60 0.35 -3.16 -0.18 2.02 -1.65 -3.41 112.91 108.49 2k3s h THR 116 Ca 0.45 -0.42 -0.66 0.00 0.77 0.00 0.00 66.41 66.55 2k3s h THR 116 Cb 0.62 1.30 -0.14 0.00 -1.74 0.00 0.00 68.15 68.20 2k3s h THR 116 CO 1.10 0.07 -0.58 -0.54 0.37 0.00 0.00 175.52 175.94 2k3s s LYS 117 N -4.10 3.30 0.12 6.66 1.02 -1.26 -5.05 119.74 120.42 2k3s s LYS 117 Ca -0.03 -0.34 -0.34 0.00 0.02 0.00 0.00 55.97 55.29 2k3s s LYS 117 Cb 0.12 -2.96 -0.14 0.00 -0.52 0.00 0.00 37.83 34.33 2k3s s LYS 117 CO 0.54 0.62 1.62 1.17 -0.92 0.00 0.00 175.35 178.38 2k3s n LYS 118 N 2.41 2.11 0.00 1.68 4.81 -1.26 -5.15 118.16 122.77 2k3s n LYS 118 Ca -0.19 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2k3s n LYS 118 Cb 0.54 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.05 2k3s n LYS 118 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74