#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s n PRO 2 N 0.00 1.12 -0.40 1.61 -0.04 -1.26 -3.58 135.00 132.44 2k3s n PRO 2 Ca 0.00 -0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.28 2k3s n PRO 2 Cb 0.00 -1.10 0.12 0.00 -0.04 0.00 0.00 33.50 32.49 2k3s n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k3s n LEU 3 N 0.93 1.94 -3.69 1.53 4.77 -1.26 -5.03 117.00 116.20 2k3s n LEU 3 Ca 0.05 -2.87 -0.13 0.00 -0.03 0.00 0.00 56.01 53.03 2k3s n LEU 3 Cb 0.54 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2k3s n LEU 3 CO 0.06 0.80 0.21 -0.83 -1.33 0.00 0.00 177.39 176.29 2k3s s GLY 4 N -2.59 -0.41 0.30 -0.72 0.00 -1.24 -5.03 107.32 97.63 2k3s s GLY 4 Ca 0.29 1.57 0.07 0.00 0.00 0.00 0.00 44.72 46.64 2k3s s GLY 4 CO -0.02 1.42 1.71 1.48 0.00 0.00 0.00 173.10 177.69 2k3s h SER 5 N 5.63 0.25 -0.04 1.64 4.64 -1.95 -2.82 113.55 120.90 2k3s h SER 5 Ca -0.29 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 60.90 2k3s h SER 5 Cb 1.18 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2k3s h SER 5 CO 0.18 0.63 -0.04 0.50 -0.87 0.00 0.00 176.83 177.23 2k3s h LYS 6 N 0.20 0.23 -0.59 4.77 3.64 -1.96 -2.06 116.57 120.81 2k3s h LYS 6 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2k3s h LYS 6 Cb 0.80 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2k3s h LYS 6 CO 0.06 0.29 0.30 -0.97 -2.27 0.00 0.00 179.45 176.87 2k3s h ASN 7 N 0.22 0.72 0.15 4.20 -1.24 -1.80 0.15 115.58 117.99 2k3s h ASN 7 Ca 0.05 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 2k3s h ASN 7 Cb 0.23 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2k3s h ASN 7 CO 0.01 0.60 -0.11 -0.03 -1.29 0.00 0.00 177.43 176.60 2k3s h MET 8 N 0.82 -0.26 -0.19 6.67 4.05 -1.46 -0.45 114.93 124.11 2k3s h MET 8 Ca 0.21 0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.52 2k3s h MET 8 Cb 0.05 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2k3s h MET 8 CO -0.03 -0.18 -0.42 -0.07 0.23 0.00 0.00 176.91 176.45 2k3s h LEU 9 N -0.27 0.47 0.57 3.39 3.38 -1.51 -1.89 115.31 119.45 2k3s h LEU 9 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2k3s h LEU 9 Cb 0.24 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k3s h LEU 9 CO -0.01 0.84 -0.27 0.25 0.09 0.00 0.00 178.44 179.34 2k3s h LEU 10 N 0.37 -0.65 -1.05 1.67 5.85 -0.66 -1.53 115.31 119.31 2k3s h LEU 10 Ca 0.03 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2k3s h LEU 10 Cb 0.89 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2k3s h LEU 10 CO 0.07 -0.46 0.09 -0.08 -0.34 0.00 0.00 178.44 177.72 2k3s h GLU 11 N -0.77 0.77 -0.04 1.25 4.22 -1.10 0.19 114.58 119.10 2k3s h GLU 11 Ca -0.08 -0.16 0.02 0.00 0.08 0.00 0.00 59.36 59.22 2k3s h GLU 11 Cb 0.59 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2k3s h GLU 11 CO 0.13 0.72 -0.11 2.35 -2.18 0.00 0.00 179.01 179.91 2k3s h TRP 12 N 0.74 -0.29 -0.02 0.92 7.01 -1.15 -0.70 115.95 122.45 2k3s h TRP 12 Ca 0.16 0.01 -0.21 0.00 2.11 0.00 0.00 58.89 60.96 2k3s h TRP 12 Cb 0.32 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 2k3s h TRP 12 CO 0.02 -0.17 -0.86 0.00 -2.79 0.00 0.00 178.44 174.63 2k3s h ARG 14 N 0.22 1.04 -0.39 0.00 9.65 -0.25 -1.43 114.38 123.21 2k3s h ARG 14 Ca -0.06 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2k3s h ARG 14 Cb 1.48 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 2k3s h ARG 14 CO 0.15 0.69 0.20 0.00 2.80 0.00 0.00 179.97 183.80 2k3s h ALA 15 N 1.50 0.49 0.00 2.80 0.00 -1.14 -1.91 119.26 121.00 2k3s h ALA 15 Ca 0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2k3s h ALA 15 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k3s h ALA 15 CO -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.88 2k3s n MET 16 N -4.92 0.07 0.23 0.00 0.00 -0.85 -2.99 117.12 108.65 2k3s n MET 16 Ca 0.02 0.08 0.11 0.00 0.00 0.00 0.00 57.70 57.91 2k3s n MET 16 Cb 0.09 -1.58 0.51 0.00 0.00 0.00 0.00 33.22 32.24 2k3s n MET 16 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2k3s h THR 17 N 0.00 0.52 -0.00 3.17 2.02 -0.44 -2.30 112.91 115.89 2k3s h THR 17 Ca 0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2k3s h THR 17 Cb 0.53 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2k3s h THR 17 CO 0.00 0.19 -0.02 0.54 0.37 0.00 0.00 175.52 176.61 2k3s n ARG 18 N -3.41 0.47 0.01 6.66 1.74 -1.16 -2.95 116.66 118.03 2k3s n ARG 18 Ca -0.00 -0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.16 2k3s n ARG 18 Cb 0.40 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 2k3s n ARG 18 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2k3s n ASN 19 N -1.24 0.30 -4.84 0.55 4.13 -0.87 -4.95 115.26 108.35 2k3s n ASN 19 Ca 0.14 -0.07 -0.23 0.00 1.68 0.00 0.00 54.58 56.10 2k3s n ASN 19 Cb 0.24 1.53 -0.04 0.00 -1.54 0.00 0.00 39.78 39.97 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2k3s s TYR 20 N -3.41 3.17 0.11 3.10 2.02 -1.15 -5.13 117.35 116.06 2k3s s TYR 20 Ca -0.04 -0.08 0.08 0.00 -0.37 0.00 0.00 57.07 56.66 2k3s s TYR 20 Cb 0.14 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 2k3s s TYR 20 CO 0.88 0.51 -0.13 -1.21 -1.57 0.00 0.00 175.55 174.03 2k3s s GLU 21 N -3.71 1.99 -0.70 -0.62 2.02 -1.26 -4.57 118.70 111.85 2k3s s GLU 21 Ca 0.33 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2k3s s GLU 21 Cb -0.08 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.92 2k3s s GLU 21 CO 0.25 0.49 0.00 1.58 0.02 0.00 0.00 175.26 177.61 2k3s n HIS 22 N 0.71 0.00 -4.46 1.61 -0.00 -1.26 -5.00 115.22 106.82 2k3s n HIS 22 Ca -0.14 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.82 2k3s n HIS 22 Cb 0.53 -1.55 -0.16 0.00 -0.12 0.00 0.00 29.99 28.68 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 -2.12 0.91 -0.35 3.57 1.01 -1.26 -5.09 120.40 117.07 2k3s s VAL 23 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2k3s s VAL 23 Cb 0.00 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.70 2k3s s VAL 23 CO 0.00 0.29 0.31 -0.62 0.00 0.00 0.00 175.10 175.08 2k3s s ASP 24 N 0.38 1.84 -0.88 3.32 2.15 -1.26 -4.91 116.67 117.32 2k3s s ASP 24 Ca -0.07 -1.63 -0.25 0.00 0.43 0.00 0.00 52.55 51.03 2k3s s ASP 24 Cb -0.11 0.25 0.04 0.00 -0.30 0.00 0.00 42.92 42.79 2k3s s ASP 24 CO 0.01 -0.30 1.36 -0.63 -0.17 0.00 0.00 175.17 175.45 2k3s s ILE 25 N 1.48 3.83 -0.16 4.11 1.01 -1.26 -4.72 121.20 125.49 2k3s s ILE 25 Ca 0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 2k3s s ILE 25 Cb -0.17 -4.99 -0.23 0.00 0.01 0.00 0.00 42.46 37.08 2k3s s ILE 25 CO -0.08 -1.89 0.23 0.00 0.00 0.00 0.00 174.94 173.20 2k3s n GLN 26 N 9.11 0.71 -3.73 2.79 6.02 -1.26 -4.83 117.38 126.19 2k3s n GLN 26 Ca 0.18 0.29 -0.13 0.00 -0.01 0.00 0.00 57.00 57.33 2k3s n GLN 26 Cb 0.50 -1.68 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 2k3s n GLN 26 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2k3s s ASN 27 N -6.96 -0.22 -1.15 1.08 2.47 -1.26 -5.06 114.94 103.84 2k3s s ASN 27 Ca -0.26 0.03 -0.15 0.00 0.42 0.00 0.00 52.86 52.90 2k3s s ASN 27 Cb 0.07 0.36 -0.06 0.00 -1.45 0.00 0.00 41.25 40.17 2k3s s ASN 27 CO 0.71 -0.54 2.21 0.49 -3.72 0.00 0.00 177.10 176.24 2k3s n PHE 28 N 0.92 2.43 0.00 0.43 3.72 -1.26 -3.24 117.46 120.45 2k3s n PHE 28 Ca -0.20 -2.41 0.00 0.00 -0.05 0.00 0.00 57.45 54.78 2k3s n PHE 28 Cb 0.58 -2.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.02 2k3s n PHE 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k3s n SER 29 N 5.90 0.00 0.15 4.37 3.41 -1.26 -3.07 113.62 123.12 2k3s n SER 29 Ca 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2k3s n SER 29 Cb 0.33 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.51 2k3s n SER 29 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2k3s h SER 30 N 0.00 0.00 0.15 4.04 4.64 -1.87 -2.37 113.55 118.14 2k3s h SER 30 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3s h SER 30 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k3s h SER 30 CO 0.00 0.54 -0.02 -1.20 -0.87 0.00 0.00 176.83 175.28 2k3s n SER 31 N -3.90 0.35 -0.32 4.97 7.64 -1.20 -3.22 113.62 117.95 2k3s n SER 31 Ca -0.01 -0.88 0.03 0.00 1.01 0.00 0.00 58.87 59.02 2k3s n SER 31 Cb 0.55 -0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.83 0.09 0.49 1.43 7.02 -0.91 -4.50 117.44 120.24 2k3s n TRP 32 Ca 0.20 -0.15 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 2k3s n TRP 32 Cb 0.20 -0.01 0.46 0.00 -2.42 0.00 0.00 31.31 29.54 2k3s n TRP 32 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2k3s n SER 33 N 0.32 0.76 0.22 -0.99 7.64 -1.12 -2.60 113.62 117.84 2k3s n SER 33 Ca 0.05 0.63 0.10 0.00 1.01 0.00 0.00 58.87 60.66 2k3s n SER 33 Cb 0.23 -0.81 0.40 0.00 -1.01 0.00 0.00 64.21 63.02 2k3s n SER 33 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k3s h SER 34 N 0.00 0.00 0.00 6.43 4.64 -1.80 -3.47 113.55 119.34 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2k3s h SER 34 CO 0.00 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 2k3s n GLY 35 N 0.37 1.25 0.48 -0.77 0.00 -1.07 -4.70 105.19 100.75 2k3s n GLY 35 Ca 0.01 -0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.00 -0.81 1.61 2.86 -1.90 -0.76 114.93 115.92 2k3s h MET 36 Ca 0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 2k3s h MET 36 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 2k3s h MET 36 CO 0.00 0.00 0.53 0.00 1.06 0.00 0.00 176.91 178.50 2k3s h ALA 37 N 1.48 1.83 0.27 6.32 0.00 -1.88 0.09 119.26 127.37 2k3s h ALA 37 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2k3s h ALA 37 Cb 1.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2k3s h ALA 37 CO -0.00 -0.02 -0.13 0.74 0.00 0.00 0.00 179.25 179.83 2k3s h PHE 38 N 0.67 -0.33 -0.37 0.00 0.04 -1.51 -1.92 116.94 113.52 2k3s h PHE 38 Ca 0.39 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 61.10 2k3s h PHE 38 Cb 0.58 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2k3s h PHE 38 CO -0.00 -0.09 0.01 0.00 -0.60 0.00 0.00 178.31 177.63 2k3s h ALA 40 N 1.47 0.72 -0.09 0.00 0.00 -0.84 0.11 119.26 120.63 2k3s h ALA 40 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k3s h ALA 40 Cb 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k3s h ALA 40 CO 0.01 0.21 0.02 1.25 0.00 0.00 0.00 179.25 180.74 2k3s h LEU 41 N 0.76 0.13 -1.14 0.00 5.85 -0.99 -2.94 115.31 116.98 2k3s h LEU 41 Ca 0.20 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2k3s h LEU 41 Cb -0.00 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2k3s h LEU 41 CO -0.04 0.32 0.33 0.40 -0.34 0.00 0.00 178.44 179.11 2k3s h ILE 42 N -0.07 1.21 0.00 4.05 1.08 -1.20 -2.06 117.51 120.52 2k3s h ILE 42 Ca 0.03 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2k3s h ILE 42 Cb 0.24 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2k3s h ILE 42 CO 0.00 0.24 -0.03 -0.74 -0.69 0.00 0.00 178.15 176.93 2k3s h HIS 43 N 0.93 0.00 0.00 1.37 2.76 -0.61 0.24 115.15 119.84 2k3s h HIS 43 Ca 0.23 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2k3s h HIS 43 Cb 0.08 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 2k3s h HIS 43 CO 0.01 0.03 -0.03 -0.22 -1.30 0.00 0.00 177.93 176.42 2k3s h LYS 44 N 0.00 0.00 0.00 5.26 3.11 -1.21 -3.33 116.57 120.41 2k3s h LYS 44 Ca -0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 2k3s h LYS 44 Cb 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.27 2k3s h LYS 44 CO 0.00 0.03 -1.87 1.19 -2.81 0.00 0.00 179.45 175.99 2k3s n PHE 45 N -3.12 0.00 -3.84 1.91 3.72 -0.46 -4.89 117.46 110.79 2k3s n PHE 45 Ca 0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.07 2k3s n PHE 45 Cb 0.37 -0.58 -0.12 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.30 3.52 0.21 1.38 0.08 0.73 -4.94 117.98 116.66 2k3s s PHE 46 Ca -0.21 -2.73 -0.03 0.00 0.12 0.00 0.00 56.93 54.08 2k3s s PHE 46 Cb 0.06 -3.10 0.16 0.00 -0.57 0.00 0.00 43.02 39.57 2k3s s PHE 46 CO 0.33 -0.90 1.57 -1.35 -0.10 0.00 0.00 175.22 174.77 2k3s h PRO 47 N 7.47 0.64 -1.02 0.24 0.11 -1.82 -3.02 132.00 134.60 2k3s h PRO 47 Ca -0.08 -0.33 -0.21 0.00 0.11 0.00 0.00 66.00 65.50 2k3s h PRO 47 Cb 0.99 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 2k3s h PRO 47 CO 0.67 0.93 0.26 0.39 -0.21 0.00 0.00 178.00 180.04 2k3s n GLU 48 N -4.03 1.50 -0.10 1.05 -0.58 -1.26 -4.04 120.64 113.18 2k3s n GLU 48 Ca -0.02 -1.20 -0.23 0.00 -0.42 0.00 0.00 57.16 55.29 2k3s n GLU 48 Cb 0.52 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.81 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k3s n ALA 49 N -0.13 0.88 -3.78 0.62 0.00 -1.14 -5.07 120.51 111.89 2k3s n ALA 49 Ca 0.24 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 2k3s n ALA 49 Cb 0.96 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 2k3s n ALA 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2k3s s PHE 50 N -2.41 -0.06 -0.33 0.00 -0.12 -1.26 -5.06 117.98 108.74 2k3s s PHE 50 Ca -0.30 -0.27 -0.14 0.00 -0.05 0.00 0.00 56.93 56.17 2k3s s PHE 50 Cb 0.08 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.10 2k3s s PHE 50 CO 0.59 -0.83 0.31 0.34 -0.05 0.00 0.00 175.22 175.58 2k3s s ASP 51 N -3.08 6.13 0.33 1.98 -1.08 -1.26 -4.94 116.67 114.75 2k3s s ASP 51 Ca 0.15 -0.26 0.15 0.00 -0.52 0.00 0.00 52.55 52.08 2k3s s ASP 51 Cb -0.01 -2.17 0.51 0.00 -1.46 0.00 0.00 42.92 39.79 2k3s s ASP 51 CO 0.03 -0.28 1.67 0.22 0.52 0.00 0.00 175.17 177.32 2k3s h TYR 52 N 8.45 0.00 0.00 -5.34 3.20 -1.95 -2.72 116.97 118.61 2k3s h TYR 52 Ca -0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2k3s h TYR 52 Cb 1.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2k3s h TYR 52 CO 0.69 0.48 0.00 0.00 -1.64 0.00 0.00 178.16 177.69 2k3s h ALA 53 N 1.52 1.00 -0.01 1.82 0.00 -2.04 -2.54 119.26 119.01 2k3s h ALA 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3s h ALA 53 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2k3s h ALA 53 CO 0.06 0.00 -0.38 -1.91 0.00 0.00 0.00 179.25 177.02 2k3s n GLU 54 N -3.00 0.55 -2.86 0.00 2.13 -1.03 -4.84 120.64 111.58 2k3s n GLU 54 Ca 0.02 -0.34 -0.42 0.00 0.66 0.00 0.00 57.16 57.08 2k3s n GLU 54 Cb 0.39 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.57 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k3s s LEU 55 N -2.69 4.07 0.13 4.31 1.43 -0.96 -5.04 118.68 119.93 2k3s s LEU 55 Ca 0.19 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2k3s s LEU 55 Cb 0.18 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2k3s s LEU 55 CO 0.60 -0.60 0.29 -1.81 0.23 0.00 0.00 176.35 175.06 2k3s s ASP 56 N 1.45 6.36 0.60 2.29 1.11 -1.26 -4.99 116.67 122.24 2k3s s ASP 56 Ca 0.36 0.27 0.38 0.00 0.18 0.00 0.00 52.55 53.73 2k3s s ASP 56 Cb -0.15 -1.95 1.89 0.00 1.07 0.00 0.00 42.92 43.78 2k3s s ASP 56 CO 0.10 0.07 2.19 1.55 1.18 0.00 0.00 175.17 180.25 2k3s h PRO 57 N 2.42 0.00 -0.08 8.23 0.13 -1.96 0.38 132.00 141.12 2k3s h PRO 57 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.71 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2k3s n ALA 58 N -2.12 2.55 -1.33 -0.56 0.00 -1.26 -3.79 120.51 114.00 2k3s n ALA 58 Ca -0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2k3s n ALA 58 Cb 0.18 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 18.71 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 0.29 2.15 -0.32 0.00 5.02 0.12 -4.67 118.16 120.75 2k3s n LYS 59 Ca 0.18 -3.11 0.01 0.00 -2.02 0.00 0.00 58.31 53.37 2k3s n LYS 59 Cb 0.36 -1.97 0.19 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.15 1.13 -0.42 1.97 3.08 -1.69 0.40 114.38 120.00 2k3s h ARG 60 Ca 0.35 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 2k3s h ARG 60 Cb 2.10 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.88 2k3s h ARG 60 CO 0.65 0.75 0.15 -0.09 -1.07 0.00 0.00 179.97 180.36 2k3s h ARG 61 N 1.17 0.60 0.09 0.04 1.12 -1.92 -2.06 114.38 113.42 2k3s h ARG 61 Ca 0.36 -0.09 -0.28 0.00 -1.11 0.00 0.00 59.98 58.86 2k3s h ARG 61 Cb -0.02 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.82 2k3s h ARG 61 CO -0.10 0.52 -1.37 0.45 -3.11 0.00 0.00 179.97 176.36 2k3s h HIS 62 N 0.60 0.35 -0.16 2.20 3.86 -1.64 -3.32 115.15 117.05 2k3s h HIS 62 Ca 0.14 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 59.12 2k3s h HIS 62 Cb 0.15 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2k3s h HIS 62 CO 0.01 1.26 -0.00 -0.97 0.86 0.00 0.00 177.93 179.08 2k3s h ASN 63 N 0.05 -0.06 0.33 2.45 -0.73 0.29 0.67 115.58 118.58 2k3s h ASN 63 Ca -0.17 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.02 2k3s h ASN 63 Cb 1.96 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 40.61 2k3s h ASN 63 CO 0.16 -0.01 -0.22 -0.26 -0.37 0.00 0.00 177.43 176.73 2k3s h PHE 64 N 0.05 -0.58 -0.90 0.67 0.04 -1.53 0.15 116.94 114.85 2k3s h PHE 64 Ca 0.07 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2k3s h PHE 64 Cb 0.09 0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2k3s h PHE 64 CO -0.16 -0.34 0.49 1.15 -0.60 0.00 0.00 178.31 178.85 2k3s h THR 65 N -0.54 1.26 0.07 -1.55 2.02 -1.63 0.39 112.91 112.92 2k3s h THR 65 Ca -0.03 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2k3s h THR 65 Cb 0.46 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2k3s h THR 65 CO 0.02 0.29 -0.03 0.25 0.37 0.00 0.00 175.52 176.42 2k3s h LEU 66 N 1.25 -0.08 0.01 2.58 5.85 -0.65 0.40 115.31 124.68 2k3s h LEU 66 Ca 0.31 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2k3s h LEU 66 Cb 0.03 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2k3s h LEU 66 CO -0.05 0.02 -0.01 0.00 -0.34 0.00 0.00 178.44 178.06 2k3s h ALA 67 N 0.76 -0.02 0.38 1.25 0.00 -0.74 -1.41 119.26 119.48 2k3s h ALA 67 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k3s h ALA 67 Cb 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k3s h ALA 67 CO 0.02 -0.46 -0.23 0.74 0.00 0.00 0.00 179.25 179.31 2k3s h PHE 68 N -0.12 -0.60 -0.77 0.00 0.04 -0.87 0.27 116.94 114.89 2k3s h PHE 68 Ca -0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2k3s h PHE 68 Cb 0.11 0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 2k3s h PHE 68 CO -0.04 -0.36 0.45 0.77 -0.60 0.00 0.00 178.31 178.53 2k3s h SER 69 N -0.58 0.93 -0.30 2.17 0.02 -0.93 0.18 113.55 115.03 2k3s h SER 69 Ca -0.04 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2k3s h SER 69 Cb 0.48 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2k3s h SER 69 CO 0.05 0.72 -0.26 0.74 -1.14 0.00 0.00 176.83 176.94 2k3s h THR 70 N 1.06 1.30 -0.59 -2.27 2.02 -1.09 -1.08 112.91 112.27 2k3s h THR 70 Ca 0.28 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 2k3s h THR 70 Cb -0.03 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2k3s h THR 70 CO -0.05 0.45 -0.03 0.00 0.37 0.00 0.00 175.52 176.26 2k3s h ALA 71 N 0.72 0.83 0.00 6.16 0.00 -0.53 0.68 119.26 127.12 2k3s h ALA 71 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k3s h ALA 71 Cb 0.82 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k3s h ALA 71 CO 0.07 0.67 -0.07 1.49 0.00 0.00 0.00 179.25 181.41 2k3s h GLU 72 N 0.95 0.00 0.02 0.00 4.22 -0.61 0.29 114.58 119.46 2k3s h GLU 72 Ca 0.16 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.39 2k3s h GLU 72 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2k3s h GLU 72 CO 0.04 0.07 -1.13 -0.22 -2.18 0.00 0.00 179.01 175.58 2k3s h LYS 73 N 0.00 0.05 0.06 1.92 3.64 -0.64 -3.15 116.57 118.45 2k3s h LYS 73 Ca -0.00 -0.09 -0.30 0.00 -1.27 0.00 0.00 60.65 58.99 2k3s h LYS 73 Cb 0.65 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2k3s h LYS 73 CO 0.01 1.04 -1.65 1.28 -2.27 0.00 0.00 179.45 177.87 2k3s n LEU 74 N -4.33 2.24 -0.34 5.20 4.77 0.18 -4.32 117.00 120.40 2k3s n LEU 74 Ca -0.28 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2k3s n LEU 74 Cb 0.71 -1.04 0.17 0.00 -2.33 0.00 0.00 43.42 40.93 2k3s n LEU 74 CO 0.26 0.57 0.45 0.00 -1.33 0.00 0.00 177.39 177.34 2k3s n ALA 75 N -3.23 3.40 -4.17 -1.18 0.00 0.43 -4.98 120.51 110.79 2k3s n ALA 75 Ca -0.32 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.29 2k3s n ALA 75 Cb 0.87 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 2k3s n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k3s n ASP 76 N -0.42 0.18 -4.61 0.00 5.75 0.72 -4.91 116.55 113.26 2k3s n ASP 76 Ca 0.10 -1.19 -0.29 0.00 -0.01 0.00 0.00 54.79 53.40 2k3s n ASP 76 Cb 0.40 -2.12 0.13 0.00 -1.03 0.00 0.00 41.12 38.51 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3s s ALA 78 N -3.60 3.57 -1.18 0.00 0.00 -1.26 -4.71 121.76 114.58 2k3s s ALA 78 Ca 0.66 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 2k3s s ALA 78 Cb -0.09 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2k3s s ALA 78 CO 0.51 -0.26 1.81 -0.65 0.00 0.00 0.00 175.76 177.17 2k3s s GLN 79 N 1.22 3.17 0.00 0.00 -0.21 -1.26 -4.68 119.66 117.90 2k3s s GLN 79 Ca 0.16 -1.38 0.28 0.00 0.02 0.00 0.00 55.36 54.45 2k3s s GLN 79 Cb -0.14 -5.35 1.08 0.00 1.00 0.00 0.00 33.01 29.60 2k3s s GLN 79 CO 0.07 -3.10 1.76 1.28 -2.12 0.00 0.00 175.29 173.19 2k3s n LEU 80 N 11.55 0.71 -4.14 2.90 4.77 -1.26 -4.85 117.00 126.68 2k3s n LEU 80 Ca 0.45 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 2k3s n LEU 80 Cb 0.47 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 2k3s n LEU 80 CO 0.70 0.13 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.71 2k3s s LEU 81 N -2.44 2.32 0.06 2.23 1.43 -1.26 -5.06 118.68 115.96 2k3s s LEU 81 Ca 0.28 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2k3s s LEU 81 Cb 0.20 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.07 2k3s s LEU 81 CO 0.48 -0.19 -0.13 -1.61 0.23 0.00 0.00 176.35 175.12 2k3s s GLU 82 N -2.09 2.17 0.05 1.70 2.02 -1.26 -5.04 118.70 116.24 2k3s s GLU 82 Ca -0.02 -0.96 -0.25 0.00 0.02 0.00 0.00 54.97 53.76 2k3s s GLU 82 Cb -0.07 -2.29 -0.17 0.00 0.10 0.00 0.00 34.13 31.70 2k3s s GLU 82 CO 0.01 0.54 1.52 0.28 0.02 0.00 0.00 175.26 177.63 2k3s h VAL 83 N 3.65 0.91 -0.77 2.63 2.07 -1.98 -0.38 116.25 122.38 2k3s h VAL 83 Ca -0.48 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 66.73 2k3s h VAL 83 Cb 1.16 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2k3s h VAL 83 CO 0.50 0.08 0.47 0.44 0.02 0.00 0.00 177.57 179.09 2k3s h ASP 84 N -0.39 0.75 -0.21 0.57 5.19 -1.96 -1.14 116.42 119.23 2k3s h ASP 84 Ca -0.02 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2k3s h ASP 84 Cb 0.31 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2k3s h ASP 84 CO 0.04 0.50 0.03 -0.78 -3.12 0.00 0.00 179.24 175.90 2k3s h ASP 85 N 0.89 0.33 -0.64 6.45 3.58 -1.95 -0.75 116.42 124.33 2k3s h ASP 85 Ca 0.33 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2k3s h ASP 85 Cb 0.11 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2k3s h ASP 85 CO -0.15 0.52 0.31 0.24 -2.88 0.00 0.00 179.24 177.28 2k3s h MET 86 N 0.14 0.95 -0.14 0.28 2.86 -0.67 0.22 114.93 118.58 2k3s h MET 86 Ca 0.06 -0.13 -0.19 0.00 -2.06 0.00 0.00 59.70 57.38 2k3s h MET 86 Cb 0.33 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2k3s h MET 86 CO 0.01 0.74 -0.70 0.28 1.06 0.00 0.00 176.91 178.30 2k3s h VAL 87 N 0.95 1.33 -0.15 -2.22 2.07 -1.13 0.20 116.25 117.30 2k3s h VAL 87 Ca 0.23 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.71 2k3s h VAL 87 Cb 0.11 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2k3s h VAL 87 CO -0.03 0.62 -0.12 -0.09 0.02 0.00 0.00 177.57 177.97 2k3s h ARG 88 N 0.42 0.34 0.08 1.57 2.43 -0.62 -3.27 114.38 115.32 2k3s h ARG 88 Ca -0.03 -0.17 -0.25 0.00 -0.81 0.00 0.00 59.98 58.73 2k3s h ARG 88 Cb 1.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2k3s h ARG 88 CO 0.13 0.71 -1.12 1.25 -1.51 0.00 0.00 179.97 179.43 2k3s h LEU 89 N -0.02 0.30 0.00 3.80 6.46 -0.63 -3.47 115.31 121.75 2k3s h LEU 89 Ca 0.03 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2k3s h LEU 89 Cb 0.63 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2k3s h LEU 89 CO 0.03 1.22 0.00 0.00 -0.62 0.00 0.00 178.44 179.07 2k3s n ALA 90 N -2.48 0.00 -2.84 1.25 0.00 0.70 -4.81 120.51 112.34 2k3s n ALA 90 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2k3s n ALA 90 Cb 0.97 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.33 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 4.96 0.72 0.00 1.01 -1.26 -4.16 120.40 121.66 2k3s s VAL 91 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2k3s s VAL 91 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.51 2k3s s VAL 91 CO 0.00 -0.45 1.08 -2.16 0.00 0.00 0.00 175.10 173.57 2k3s s PRO 92 N 1.60 2.62 -0.05 2.72 0.04 -1.26 -5.01 135.00 135.66 2k3s s PRO 92 Ca 0.04 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 2k3s s PRO 92 Cb -0.22 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2k3s s PRO 92 CO 0.07 -1.36 0.77 0.34 0.04 0.00 0.00 177.00 176.86 2k3s s ASP 93 N -3.36 7.09 0.20 6.66 2.15 -1.26 -4.46 116.67 123.69 2k3s s ASP 93 Ca 0.61 1.32 -0.10 0.00 0.43 0.00 0.00 52.55 54.81 2k3s s ASP 93 Cb -0.17 -2.45 0.24 0.00 -0.30 0.00 0.00 42.92 40.24 2k3s s ASP 93 CO 0.52 -0.15 1.77 0.28 -0.17 0.00 0.00 175.17 177.42 2k3s h SER 94 N 6.76 0.37 -0.46 -0.34 0.02 -1.93 -0.69 113.55 117.28 2k3s h SER 94 Ca -0.41 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2k3s h SER 94 Cb 1.20 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2k3s h SER 94 CO 0.75 0.23 0.16 0.50 -1.14 0.00 0.00 176.83 177.34 2k3s h LYS 95 N 0.52 0.76 -0.29 3.45 3.64 -1.93 0.23 116.57 122.95 2k3s h LYS 95 Ca 0.29 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 2k3s h LYS 95 Cb 0.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2k3s h LYS 95 CO -0.23 0.66 -0.23 0.00 -2.27 0.00 0.00 179.45 177.37 2k3s h VAL 97 N 0.40 1.28 -0.22 0.00 2.07 -0.78 -2.77 116.25 116.23 2k3s h VAL 97 Ca 0.05 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.21 2k3s h VAL 97 Cb 0.78 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 2k3s h VAL 97 CO 0.06 0.47 -0.16 0.22 0.02 0.00 0.00 177.57 178.18 2k3s h TYR 98 N 0.62 -0.40 -0.27 1.57 3.20 -0.51 0.52 116.97 121.70 2k3s h TYR 98 Ca 0.07 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 2k3s h TYR 98 Cb 0.81 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2k3s h TYR 98 CO 0.04 -0.23 -0.20 1.15 -1.64 0.00 0.00 178.16 177.28 2k3s h THR 99 N -0.15 1.25 0.02 1.81 2.02 -1.51 0.34 112.91 116.70 2k3s h THR 99 Ca 0.13 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 2k3s h THR 99 Cb 0.34 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2k3s h THR 99 CO -0.31 0.38 -0.01 0.22 0.37 0.00 0.00 175.52 176.16 2k3s h TYR 100 N 0.45 -0.03 -0.52 3.16 5.03 -1.03 -0.04 116.97 123.99 2k3s h TYR 100 Ca 0.07 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 2k3s h TYR 100 Cb 0.60 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 2k3s h TYR 100 CO 0.02 0.14 0.00 0.82 -1.32 0.00 0.00 178.16 177.82 2k3s h ILE 101 N -0.19 1.25 -0.32 1.81 1.08 -0.81 0.15 117.51 120.48 2k3s h ILE 101 Ca -0.00 -1.05 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 2k3s h ILE 101 Cb 0.18 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2k3s h ILE 101 CO 0.01 0.37 0.15 -0.61 -0.69 0.00 0.00 178.15 177.38 2k3s h GLN 102 N 0.81 0.31 -0.19 2.37 4.15 -0.68 0.13 115.11 122.02 2k3s h GLN 102 Ca 0.15 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 2k3s h GLN 102 Cb 0.48 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2k3s h GLN 102 CO 0.02 0.21 -0.18 1.49 -1.93 0.00 0.00 178.83 178.44 2k3s h GLU 103 N 0.32 0.45 -0.82 1.69 4.57 -0.77 -3.06 114.58 116.97 2k3s h GLU 103 Ca 0.13 -0.23 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2k3s h GLU 103 Cb 0.05 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 2k3s h GLU 103 CO -0.09 0.80 0.50 1.25 -1.18 0.00 0.00 179.01 180.28 2k3s h LEU 104 N 0.11 0.77 -0.78 1.64 5.85 -0.74 -1.64 115.31 120.53 2k3s h LEU 104 Ca 0.03 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2k3s h LEU 104 Cb 0.71 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2k3s h LEU 104 CO 0.04 0.49 0.47 0.22 -0.34 0.00 0.00 178.44 179.32 2k3s h TYR 105 N 0.90 0.87 -0.27 1.25 3.20 -0.71 -0.90 116.97 121.31 2k3s h TYR 105 Ca 0.36 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.26 2k3s h TYR 105 Cb 0.19 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2k3s h TYR 105 CO -0.04 0.44 0.17 0.00 -1.64 0.00 0.00 178.16 177.09 2k3s h ARG 106 N 0.87 0.33 -0.74 1.82 3.08 -1.20 -0.75 114.38 117.78 2k3s h ARG 106 Ca 0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2k3s h ARG 106 Cb 0.15 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2k3s h ARG 106 CO -0.17 0.22 0.41 0.77 -1.07 0.00 0.00 179.97 180.13 2k3s h SER 107 N 0.34 0.93 0.56 7.04 0.02 -1.06 -2.01 113.55 119.37 2k3s h SER 107 Ca 0.10 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2k3s h SER 107 Cb -0.02 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2k3s h SER 107 CO -0.03 0.75 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.11 2k3s h LEU 108 N 1.02 0.00 0.14 5.07 3.38 -0.77 -2.11 115.31 122.04 2k3s h LEU 108 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2k3s h LEU 108 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2k3s h LEU 108 CO -0.04 0.23 -0.07 0.58 0.09 0.00 0.00 178.44 179.23 2k3s h VAL 109 N 0.00 0.87 0.00 1.22 2.07 -0.45 0.40 116.25 120.36 2k3s h VAL 109 Ca -0.00 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2k3s h VAL 109 Cb 0.57 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2k3s h VAL 109 CO 0.03 0.23 -0.15 0.06 0.02 0.00 0.00 177.57 177.76 2k3s h GLN 110 N -0.88 0.00 -0.00 1.57 3.07 -1.39 -1.36 115.11 116.12 2k3s h GLN 110 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2k3s h GLN 110 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2k3s h GLN 110 CO 0.03 0.15 -0.09 1.63 0.09 0.00 0.00 178.83 180.64 2k3s n LYS 111 N -3.72 0.30 -2.72 0.06 5.02 -0.80 -4.93 118.16 111.37 2k3s n LYS 111 Ca -0.02 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.13 2k3s n LYS 111 Cb 0.26 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 2k3s n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3s n GLY 112 N 1.38 0.08 0.01 0.72 0.00 -0.51 -4.97 105.19 101.90 2k3s n GLY 112 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.51 0.17 -0.12 0.99 4.77 0.10 -4.72 117.00 115.68 2k3s n LEU 113 Ca -0.12 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.76 2k3s n LEU 113 Cb 0.58 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 2k3s n LEU 113 CO 0.29 0.10 0.86 0.58 -1.33 0.00 0.00 177.39 177.88 2k3s h VAL 114 N 0.00 1.22 -0.22 4.08 2.07 -1.77 -3.25 116.25 118.39 2k3s h VAL 114 Ca -0.08 -0.76 -0.70 0.00 0.82 0.00 0.00 66.70 65.99 2k3s h VAL 114 Cb 1.17 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2k3s h VAL 114 CO 0.00 0.26 3.32 1.17 0.02 0.00 0.00 177.57 182.34 2k3s n LYS 115 N -4.60 3.48 0.24 1.57 4.81 -1.26 -4.54 118.16 117.85 2k3s n LYS 115 Ca -0.01 -2.57 0.13 0.00 -0.87 0.00 0.00 58.31 54.99 2k3s n LYS 115 Cb 0.20 -2.97 0.35 0.00 0.02 0.00 0.00 35.03 32.63 2k3s n LYS 115 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2k3s h THR 116 N 3.38 0.08 -3.25 3.15 2.02 -1.89 -3.42 112.91 112.98 2k3s h THR 116 Ca 0.71 -0.91 -0.46 0.00 0.77 0.00 0.00 66.41 66.53 2k3s h THR 116 Cb 0.44 1.85 -0.38 0.00 -1.74 0.00 0.00 68.15 68.32 2k3s h THR 116 CO 1.78 0.04 -0.77 -0.75 0.37 0.00 0.00 175.52 176.19 2k3s s LYS 117 N -3.37 0.69 -0.26 6.66 2.20 -1.26 -5.11 119.74 119.27 2k3s s LYS 117 Ca 0.05 0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.62 2k3s s LYS 117 Cb 0.07 -1.19 0.02 0.00 -1.51 0.00 0.00 37.83 35.22 2k3s s LYS 117 CO 0.63 -0.35 -0.00 0.21 -0.36 0.00 0.00 175.35 175.48 2k3s s LYS 118 N 1.94 2.98 0.00 4.03 2.20 -1.26 -5.19 119.74 124.44 2k3s s LYS 118 Ca 0.04 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2k3s s LYS 118 Cb -0.13 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2k3s s LYS 118 CO -0.06 -0.40 0.00 1.17 -0.36 0.00 0.00 175.35 175.70