#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 0.98 -0.03 1.61 -0.04 -1.26 -2.96 135.00 133.30 2k3s n PRO 2 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2k3s n PRO 2 Cb 0.00 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.06 1.90 -3.77 1.53 4.77 -1.26 -4.97 117.00 115.26 2k3s n LEU 3 Ca 0.00 -1.28 -0.17 0.00 -0.03 0.00 0.00 56.01 54.54 2k3s n LEU 3 Cb 0.27 -0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.15 2k3s n LEU 3 CO 0.00 0.42 -0.36 -0.83 -1.33 0.00 0.00 177.39 175.29 2k3s s GLY 4 N -0.73 0.18 0.20 -0.72 0.00 -1.15 -5.04 107.32 100.05 2k3s s GLY 4 Ca 0.11 0.23 -0.10 0.00 0.00 0.00 0.00 44.72 44.96 2k3s s GLY 4 CO 0.10 0.77 1.80 1.48 0.00 0.00 0.00 173.10 177.24 2k3s h SER 5 N 7.47 0.95 -0.41 1.64 4.64 -1.93 -2.71 113.55 123.20 2k3s h SER 5 Ca -0.39 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 2k3s h SER 5 Cb 1.12 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2k3s h SER 5 CO 0.43 0.81 0.10 0.50 -0.87 0.00 0.00 176.83 177.80 2k3s h LYS 6 N 1.03 0.74 -0.32 4.77 3.64 -1.96 -2.46 116.57 122.00 2k3s h LYS 6 Ca 0.25 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2k3s h LYS 6 Cb 0.11 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2k3s h LYS 6 CO -0.03 0.68 -0.20 -0.97 -2.27 0.00 0.00 179.45 176.65 2k3s h ASN 7 N 0.71 0.60 -0.02 4.20 -0.73 -1.78 -1.88 115.58 116.68 2k3s h ASN 7 Ca 0.16 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 2k3s h ASN 7 Cb 0.29 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 2k3s h ASN 7 CO -0.00 0.81 0.01 -0.03 -0.37 0.00 0.00 177.43 177.85 2k3s h MET 8 N 0.54 0.02 -0.36 6.67 4.05 -1.15 0.23 114.93 124.93 2k3s h MET 8 Ca 0.08 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 2k3s h MET 8 Cb 0.65 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 2k3s h MET 8 CO 0.05 0.05 -0.12 -0.07 0.23 0.00 0.00 176.91 177.05 2k3s h LEU 9 N -0.01 0.62 -0.45 3.39 3.38 -1.44 -2.53 115.31 118.26 2k3s h LEU 9 Ca 0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2k3s h LEU 9 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2k3s h LEU 9 CO -0.00 0.76 0.07 0.25 0.09 0.00 0.00 178.44 179.62 2k3s h LEU 10 N 0.58 0.72 -0.67 1.67 5.85 -0.99 -2.01 115.31 120.45 2k3s h LEU 10 Ca 0.10 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2k3s h LEU 10 Cb 0.54 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2k3s h LEU 10 CO 0.03 0.80 0.37 -0.08 -0.34 0.00 0.00 178.44 179.22 2k3s h GLU 11 N 0.61 0.94 -0.29 1.25 4.22 -0.76 0.29 114.58 120.85 2k3s h GLU 11 Ca 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 2k3s h GLU 11 Cb 0.38 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k3s h GLU 11 CO 0.01 0.71 0.16 2.35 -2.18 0.00 0.00 179.01 180.05 2k3s h TRP 12 N 0.92 0.39 -0.38 0.92 7.01 -1.31 -2.31 115.95 121.20 2k3s h TRP 12 Ca 0.24 -0.01 -0.16 0.00 2.11 0.00 0.00 58.89 61.07 2k3s h TRP 12 Cb 0.04 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 2k3s h TRP 12 CO -0.01 0.33 -0.38 0.00 -2.79 0.00 0.00 178.44 175.60 2k3s h ARG 14 N 0.75 0.86 -0.72 0.00 9.65 -0.20 0.19 114.38 124.90 2k3s h ARG 14 Ca 0.06 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2k3s h ARG 14 Cb 0.96 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.31 2k3s h ARG 14 CO 0.09 0.57 0.48 0.00 2.80 0.00 0.00 179.97 183.91 2k3s h ALA 15 N 1.56 0.92 0.00 2.80 0.00 -1.34 -2.51 119.26 120.68 2k3s h ALA 15 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k3s h ALA 15 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k3s h ALA 15 CO -0.22 0.34 -0.36 0.00 0.00 0.00 0.00 179.25 179.02 2k3s h MET 16 N 0.98 0.00 -0.07 0.00 -0.00 -1.38 -3.26 114.93 111.20 2k3s h MET 16 Ca 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.91 2k3s h MET 16 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.48 2k3s h MET 16 CO -0.06 0.00 -0.20 1.15 -0.00 0.00 0.00 176.91 177.80 2k3s h THR 17 N 0.00 1.18 0.00 -0.10 2.02 -0.54 -1.81 112.91 113.66 2k3s h THR 17 Ca 0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 2k3s h THR 17 Cb 0.92 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2k3s h THR 17 CO 0.00 0.25 0.00 0.03 0.37 0.00 0.00 175.52 176.17 2k3s h ARG 18 N 0.10 0.00 -0.01 6.66 3.08 -1.58 -1.32 114.38 121.31 2k3s h ARG 18 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2k3s h ARG 18 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2k3s h ARG 18 CO 0.03 0.00 -0.06 0.09 -1.07 0.00 0.00 179.97 178.96 2k3s n ASN 19 N -2.30 1.09 -4.47 7.04 4.13 -0.68 -4.85 115.26 115.22 2k3s n ASN 19 Ca 0.01 -1.21 -0.28 0.00 1.68 0.00 0.00 54.58 54.78 2k3s n ASN 19 Cb 0.19 0.02 -0.11 0.00 -1.54 0.00 0.00 39.78 38.34 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 -2.15 2.46 0.07 3.10 2.02 -0.50 -5.14 117.35 117.21 2k3s s TYR 20 Ca 0.36 -0.30 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 2k3s s TYR 20 Cb 0.21 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 2k3s s TYR 20 CO 0.39 0.42 -0.05 -1.21 -1.57 0.00 0.00 175.55 173.53 2k3s s GLU 21 N -2.35 2.42 -0.48 -0.62 2.02 -1.26 -4.48 118.70 113.94 2k3s s GLU 21 Ca 0.19 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2k3s s GLU 21 Cb -0.10 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2k3s s GLU 21 CO 0.10 0.55 0.00 1.58 0.02 0.00 0.00 175.26 177.51 2k3s n HIS 22 N 0.90 0.00 -3.87 1.61 -0.00 -1.26 -4.98 115.22 107.62 2k3s n HIS 22 Ca -0.13 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.77 2k3s n HIS 22 Cb 0.52 -1.46 -0.17 0.00 -0.12 0.00 0.00 29.99 28.77 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 -1.87 1.00 -0.40 3.57 1.01 -1.26 -5.08 120.40 117.36 2k3s s VAL 23 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2k3s s VAL 23 Cb 0.00 -1.19 0.12 0.00 0.00 0.00 0.00 36.38 35.31 2k3s s VAL 23 CO 0.00 0.12 0.18 -0.62 0.00 0.00 0.00 175.10 174.78 2k3s s ASP 24 N 1.68 3.90 -0.69 3.32 2.15 -1.26 -4.86 116.67 120.92 2k3s s ASP 24 Ca 0.01 -2.32 -0.25 0.00 0.43 0.00 0.00 52.55 50.43 2k3s s ASP 24 Cb -0.15 -1.08 0.05 0.00 -0.30 0.00 0.00 42.92 41.45 2k3s s ASP 24 CO -0.08 -0.32 1.10 -0.63 -0.17 0.00 0.00 175.17 175.08 2k3s s ILE 25 N 0.73 4.07 -0.32 4.11 1.01 -1.26 -4.68 121.20 124.86 2k3s s ILE 25 Ca 0.15 0.01 0.16 0.00 0.00 0.00 0.00 60.65 60.97 2k3s s ILE 25 Cb -0.22 -4.78 -0.22 0.00 0.01 0.00 0.00 42.46 37.25 2k3s s ILE 25 CO -0.08 -1.61 0.49 0.00 0.00 0.00 0.00 174.94 173.74 2k3s n GLN 26 N 8.41 1.01 -3.65 2.79 6.02 -1.26 -4.85 117.38 125.85 2k3s n GLN 26 Ca -0.01 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.00 56.81 2k3s n GLN 26 Cb 0.47 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 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 -3.32 -0.36 -1.07 1.08 3.84 -1.26 -5.06 114.94 108.79 2k3s s ASN 27 Ca -0.01 -0.29 -0.05 0.00 0.21 0.00 0.00 52.86 52.72 2k3s s ASN 27 Cb 0.11 0.60 0.10 0.00 -0.55 0.00 0.00 41.25 41.51 2k3s s ASN 27 CO 0.67 -1.06 2.51 0.49 -2.79 0.00 0.00 177.10 176.92 2k3s n PHE 28 N -0.41 2.29 0.00 0.43 3.72 -1.26 -4.02 117.46 118.21 2k3s n PHE 28 Ca -0.09 -2.56 0.00 0.00 -0.05 0.00 0.00 57.45 54.75 2k3s n PHE 28 Cb 0.62 -1.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.45 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 1.50 0.00 -0.31 4.37 3.41 -1.26 -3.45 113.62 117.88 2k3s n SER 29 Ca 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2k3s n SER 29 Cb 0.34 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.42 2k3s n SER 29 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k3s h SER 30 N 0.00 0.87 0.39 4.04 0.02 -1.87 -0.41 113.55 116.59 2k3s h SER 30 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3s h SER 30 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2k3s h SER 30 CO 0.00 0.57 0.00 -1.20 -1.14 0.00 0.00 176.83 175.06 2k3s n SER 31 N -4.60 0.00 -0.21 3.07 7.64 -1.26 -2.02 113.62 116.25 2k3s n SER 31 Ca 0.12 0.31 0.05 0.00 1.01 0.00 0.00 58.87 60.37 2k3s n SER 31 Cb 0.15 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.40 0.00 0.30 1.43 7.02 -0.21 -4.45 117.44 120.13 2k3s n TRP 32 Ca 0.05 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.70 2k3s n TRP 32 Cb 0.14 0.00 0.77 0.00 -2.42 0.00 0.00 31.31 29.81 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 1.05 0.00 1.45 -0.99 0.02 -0.85 -1.62 113.55 112.61 2k3s h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3s h SER 33 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2k3s h SER 33 CO 0.00 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 175.97 2k3s h SER 34 N 0.00 0.00 0.00 3.07 0.02 -1.78 -3.47 113.55 111.39 2k3s h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3s h SER 34 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2k3s h SER 34 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2k3s n GLY 35 N 1.02 1.22 0.47 -3.77 0.00 -0.61 -4.68 105.19 98.84 2k3s n GLY 35 Ca 0.05 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 0.18 -0.73 1.61 2.86 -1.91 -0.23 114.93 116.71 2k3s h MET 36 Ca 0.00 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2k3s h MET 36 Cb 0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 2k3s h MET 36 CO 0.00 0.12 0.48 0.00 1.06 0.00 0.00 176.91 178.57 2k3s h ALA 37 N 1.52 2.01 0.23 6.32 0.00 -1.83 0.08 119.26 127.58 2k3s h ALA 37 Ca 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2k3s h ALA 37 Cb 1.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2k3s h ALA 37 CO -0.16 -0.18 -0.11 0.74 0.00 0.00 0.00 179.25 179.54 2k3s h PHE 38 N 0.49 -0.28 -0.10 0.00 -1.00 -1.38 -2.57 116.94 112.09 2k3s h PHE 38 Ca 0.35 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 61.04 2k3s h PHE 38 Cb 0.68 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 2k3s h PHE 38 CO -0.00 -0.02 -0.30 0.00 -1.61 0.00 0.00 178.31 176.38 2k3s h ALA 40 N 1.53 0.79 -0.37 0.00 0.00 -0.88 -0.59 119.26 119.73 2k3s h ALA 40 Ca 0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2k3s h ALA 40 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k3s h ALA 40 CO 0.04 0.26 -0.16 1.25 0.00 0.00 0.00 179.25 180.65 2k3s h LEU 41 N 0.84 0.79 -0.36 0.00 5.85 -1.24 -2.79 115.31 118.40 2k3s h LEU 41 Ca 0.22 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k3s h LEU 41 Cb -0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2k3s h LEU 41 CO -0.04 1.01 0.20 0.40 -0.34 0.00 0.00 178.44 179.66 2k3s h ILE 42 N 0.56 1.14 0.00 4.05 1.08 -1.15 -2.39 117.51 120.81 2k3s h ILE 42 Ca 0.09 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2k3s h ILE 42 Cb 0.70 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 2k3s h ILE 42 CO 0.05 0.15 0.00 -0.74 -0.69 0.00 0.00 178.15 176.92 2k3s h HIS 43 N 0.46 0.00 -0.21 1.37 2.76 -1.11 0.16 115.15 118.58 2k3s h HIS 43 Ca 0.13 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 2k3s h HIS 43 Cb 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2k3s h HIS 43 CO -0.03 0.00 -0.36 -0.22 -1.30 0.00 0.00 177.93 176.02 2k3s h LYS 44 N 0.00 0.46 0.01 5.26 3.11 -1.14 -3.29 116.57 120.98 2k3s h LYS 44 Ca 0.00 -0.21 -0.37 0.00 -2.81 0.00 0.00 60.65 57.26 2k3s h LYS 44 Cb 0.40 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.56 2k3s h LYS 44 CO 0.00 0.76 -2.32 1.19 -2.81 0.00 0.00 179.45 176.27 2k3s n PHE 45 N -4.05 0.23 -3.82 1.91 3.72 -0.94 -4.81 117.46 109.70 2k3s n PHE 45 Ca -0.01 0.06 -0.35 0.00 -0.05 0.00 0.00 57.45 57.10 2k3s n PHE 45 Cb 0.47 -1.04 -0.12 0.00 -0.94 0.00 0.00 39.48 37.85 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 -2.52 3.61 0.13 1.38 0.08 0.51 -4.95 117.98 116.22 2k3s s PHE 46 Ca -0.21 -2.50 -0.10 0.00 0.12 0.00 0.00 56.93 54.24 2k3s s PHE 46 Cb 0.08 -3.13 -0.07 0.00 -0.57 0.00 0.00 43.02 39.33 2k3s s PHE 46 CO 0.73 -0.96 1.40 -1.35 -0.10 0.00 0.00 175.22 174.93 2k3s h PRO 47 N 7.97 0.79 -0.59 0.24 0.11 -1.84 -3.12 132.00 135.56 2k3s h PRO 47 Ca -0.12 -0.54 0.00 0.00 0.11 0.00 0.00 66.00 65.45 2k3s h PRO 47 Cb 1.04 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k3s h PRO 47 CO 0.66 1.17 0.00 0.39 -0.21 0.00 0.00 178.00 180.01 2k3s n GLU 48 N -3.97 1.28 -0.06 1.05 -0.58 -1.26 -3.98 120.64 113.11 2k3s n GLU 48 Ca -0.05 -0.28 -0.03 0.00 -0.42 0.00 0.00 57.16 56.39 2k3s n GLU 48 Cb 0.66 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k3s h ALA 49 N 2.58 0.01 -2.02 0.62 0.00 -1.93 -3.50 119.26 115.01 2k3s h ALA 49 Ca 0.00 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.98 2k3s h ALA 49 Cb 0.41 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2k3s h ALA 49 CO 0.03 0.09 0.61 -0.59 0.00 0.00 0.00 179.25 179.38 2k3s s PHE 50 N -1.74 -0.10 -0.33 0.00 -0.12 -1.26 -5.08 117.98 109.35 2k3s s PHE 50 Ca -0.05 -0.13 -0.16 0.00 -0.05 0.00 0.00 56.93 56.54 2k3s s PHE 50 Cb 0.00 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2k3s s PHE 50 CO 0.12 -0.63 0.41 0.34 -0.05 0.00 0.00 175.22 175.42 2k3s s ASP 51 N -2.94 6.24 0.34 1.98 2.15 -1.26 -4.94 116.67 118.25 2k3s s ASP 51 Ca 0.13 -0.03 0.16 0.00 0.43 0.00 0.00 52.55 53.23 2k3s s ASP 51 Cb 0.01 -2.22 0.57 0.00 -0.30 0.00 0.00 42.92 40.97 2k3s s ASP 51 CO -0.00 -0.34 1.69 0.22 -0.17 0.00 0.00 175.17 176.56 2k3s h TYR 52 N 8.39 0.00 0.00 -5.34 3.20 -1.96 -2.70 116.97 118.55 2k3s h TYR 52 Ca -0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2k3s h TYR 52 Cb 1.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2k3s h TYR 52 CO 0.72 0.45 0.00 0.00 -1.64 0.00 0.00 178.16 177.69 2k3s h ALA 53 N 1.55 1.00 -0.58 1.82 0.00 -2.03 -2.17 119.26 118.85 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 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k3s h ALA 53 CO 0.06 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.40 2k3s n GLU 54 N -2.62 2.52 -4.20 0.00 2.13 -1.02 -4.88 120.64 112.57 2k3s n GLU 54 Ca 0.02 -2.16 -0.34 0.00 0.66 0.00 0.00 57.16 55.33 2k3s n GLU 54 Cb 0.30 -1.52 -0.10 0.00 0.27 0.00 0.00 31.44 30.39 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 -1.11 3.62 0.09 4.31 1.43 -0.82 -5.05 118.68 121.16 2k3s s LEU 55 Ca 0.40 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2k3s s LEU 55 Cb 0.22 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2k3s s LEU 55 CO 0.26 0.23 0.02 -1.81 0.23 0.00 0.00 176.35 175.28 2k3s s ASP 56 N -0.00 5.14 0.46 2.29 1.01 -1.26 -5.00 116.67 119.30 2k3s s ASP 56 Ca 0.04 -0.14 0.31 0.00 0.71 0.00 0.00 52.55 53.47 2k3s s ASP 56 Cb -0.13 -1.26 1.47 0.00 1.01 0.00 0.00 42.92 44.02 2k3s s ASP 56 CO 0.02 0.17 1.94 1.55 0.21 0.00 0.00 175.17 179.06 2k3s h PRO 57 N 3.39 0.00 -0.00 8.23 0.13 -1.99 -0.20 132.00 141.56 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 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k3s h PRO 57 CO 0.61 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.34 2k3s n ALA 58 N -1.94 2.49 -1.48 -0.56 0.00 -1.26 -3.40 120.51 114.36 2k3s n ALA 58 Ca -0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 2k3s n ALA 58 Cb 0.18 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.40 2.79 -0.24 0.00 5.02 -0.09 -4.71 118.16 119.53 2k3s n LYS 59 Ca 0.09 -3.45 -0.01 0.00 -2.02 0.00 0.00 58.31 52.92 2k3s n LYS 59 Cb 0.31 -2.25 0.10 0.00 -0.02 0.00 0.00 35.03 33.17 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 1.88 0.69 -0.19 1.97 3.08 -1.72 0.40 114.38 120.48 2k3s h ARG 60 Ca 0.54 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.56 2k3s h ARG 60 Cb 1.22 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2k3s h ARG 60 CO 1.29 0.45 0.08 -0.09 -1.07 0.00 0.00 179.97 180.64 2k3s h ARG 61 N 0.71 0.18 -0.59 0.04 1.12 -1.92 -1.13 114.38 112.79 2k3s h ARG 61 Ca 0.30 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.09 2k3s h ARG 61 Cb 0.18 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 2k3s h ARG 61 CO -0.18 0.12 0.07 0.45 -3.11 0.00 0.00 179.97 177.32 2k3s h HIS 62 N 0.19 1.04 -0.28 2.20 3.86 -1.79 -2.66 115.15 117.70 2k3s h HIS 62 Ca 0.08 -0.14 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2k3s h HIS 62 Cb 0.03 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.18 2k3s h HIS 62 CO -0.10 0.89 0.05 -0.97 0.86 0.00 0.00 177.93 178.66 2k3s h ASN 63 N 0.92 -0.00 -0.59 2.45 -0.73 0.33 0.27 115.58 118.22 2k3s h ASN 63 Ca 0.18 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 2k3s h ASN 63 Cb 0.43 0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.06 2k3s h ASN 63 CO 0.01 0.03 0.31 -0.26 -0.37 0.00 0.00 177.43 177.16 2k3s h PHE 64 N 0.15 0.82 -0.23 0.67 0.04 -1.07 -0.08 116.94 117.23 2k3s h PHE 64 Ca 0.13 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2k3s h PHE 64 Cb 0.14 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2k3s h PHE 64 CO -0.17 0.60 0.05 1.15 -0.60 0.00 0.00 178.31 179.34 2k3s h THR 65 N 0.79 1.21 -0.09 -1.55 2.02 -1.09 -2.36 112.91 111.85 2k3s h THR 65 Ca 0.21 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.69 2k3s h THR 65 Cb 0.07 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2k3s h THR 65 CO -0.03 0.22 0.04 0.25 0.37 0.00 0.00 175.52 176.37 2k3s h LEU 66 N 0.19 0.06 0.11 2.58 5.85 -0.27 -0.41 115.31 123.42 2k3s h LEU 66 Ca 0.07 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2k3s h LEU 66 Cb 0.29 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2k3s h LEU 66 CO 0.00 0.05 -0.21 0.00 -0.34 0.00 0.00 178.44 177.94 2k3s h ALA 67 N 1.05 -0.35 0.18 1.25 0.00 -0.97 -0.15 119.26 120.27 2k3s h ALA 67 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k3s h ALA 67 Cb 0.01 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k3s h ALA 67 CO -0.03 -0.74 -0.09 0.74 0.00 0.00 0.00 179.25 179.14 2k3s h PHE 68 N -0.39 -0.23 -0.27 0.00 0.04 -1.33 -1.36 116.94 113.39 2k3s h PHE 68 Ca 0.03 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2k3s h PHE 68 Cb 0.41 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2k3s h PHE 68 CO -0.20 -0.03 0.16 0.77 -0.60 0.00 0.00 178.31 178.41 2k3s h SER 69 N -0.39 0.25 -0.75 2.17 0.02 -1.03 0.53 113.55 114.35 2k3s h SER 69 Ca -0.03 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2k3s h SER 69 Cb 0.30 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2k3s h SER 69 CO 0.04 0.19 0.29 0.74 -1.14 0.00 0.00 176.83 176.94 2k3s h THR 70 N 0.32 1.26 -0.55 -2.27 2.02 -1.03 0.13 112.91 112.80 2k3s h THR 70 Ca 0.11 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 2k3s h THR 70 Cb 0.00 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2k3s h THR 70 CO -0.05 0.33 -0.05 0.00 0.37 0.00 0.00 175.52 176.12 2k3s h ALA 71 N 1.14 0.88 -0.09 6.16 0.00 -0.92 -0.63 119.26 125.81 2k3s h ALA 71 Ca 0.25 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2k3s h ALA 71 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k3s h ALA 71 CO -0.02 0.65 -0.57 1.49 0.00 0.00 0.00 179.25 180.81 2k3s h GLU 72 N 0.89 0.28 0.00 0.00 4.81 -0.52 0.34 114.58 120.38 2k3s h GLU 72 Ca 0.15 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 2k3s h GLU 72 Cb 0.59 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2k3s h GLU 72 CO 0.04 0.77 -0.82 -0.22 -0.73 0.00 0.00 179.01 178.04 2k3s h LYS 73 N 0.21 0.08 0.00 1.92 3.64 -0.47 -2.26 116.57 119.69 2k3s h LYS 73 Ca -0.00 -0.08 -0.36 0.00 -1.27 0.00 0.00 60.65 58.94 2k3s h LYS 73 Cb 1.06 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2k3s h LYS 73 CO 0.09 0.85 -2.16 1.28 -2.27 0.00 0.00 179.45 177.24 2k3s n LEU 74 N -3.62 1.95 -0.69 5.20 4.77 -0.27 -4.67 117.00 119.68 2k3s n LEU 74 Ca -0.02 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 2k3s n LEU 74 Cb 0.78 -0.81 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2k3s n LEU 74 CO 0.46 0.38 0.52 0.00 -1.33 0.00 0.00 177.39 177.42 2k3s n ALA 75 N -4.24 2.46 -4.15 -1.18 0.00 0.99 -5.01 120.51 109.39 2k3s n ALA 75 Ca -0.45 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 51.96 2k3s n ALA 75 Cb 0.80 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 0.95 -1.65 -4.88 0.00 5.75 0.08 -4.91 116.55 111.89 2k3s n ASP 76 Ca 0.10 -1.25 -0.30 0.00 -0.01 0.00 0.00 54.79 53.33 2k3s n ASP 76 Cb 0.42 -1.88 0.04 0.00 -1.03 0.00 0.00 41.12 38.68 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 -3.30 3.37 -1.13 0.00 0.00 -1.26 -4.72 121.76 114.73 2k3s s ALA 78 Ca 0.57 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 2k3s s ALA 78 Cb -0.11 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.95 2k3s s ALA 78 CO 0.52 0.22 1.55 -0.65 0.00 0.00 0.00 175.76 177.40 2k3s s GLN 79 N -1.04 3.75 0.21 0.00 -0.21 -1.26 -4.74 119.66 116.37 2k3s s GLN 79 Ca 0.40 -1.49 0.26 0.00 0.02 0.00 0.00 55.36 54.54 2k3s s GLN 79 Cb -0.25 -5.41 0.82 0.00 1.00 0.00 0.00 33.01 29.17 2k3s s GLN 79 CO 0.30 -2.21 1.77 1.28 -2.12 0.00 0.00 175.29 174.31 2k3s n LEU 80 N 8.58 0.82 -4.23 2.90 4.77 -1.26 -4.83 117.00 123.75 2k3s n LEU 80 Ca 0.39 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.82 2k3s n LEU 80 Cb 0.49 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 2k3s n LEU 80 CO 0.70 -0.20 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.39 2k3s s LEU 81 N -4.54 2.51 0.17 2.23 1.43 -1.26 -5.07 118.68 114.15 2k3s s LEU 81 Ca 0.10 -0.99 0.09 0.00 -1.03 0.00 0.00 54.13 52.30 2k3s s LEU 81 Cb 0.12 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2k3s s LEU 81 CO 0.59 -0.35 -0.13 -1.61 0.23 0.00 0.00 176.35 175.08 2k3s s GLU 82 N -3.66 1.95 0.04 1.70 2.02 -1.26 -5.03 118.70 114.45 2k3s s GLU 82 Ca 0.14 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 2k3s s GLU 82 Cb 0.03 -2.11 -0.18 0.00 0.10 0.00 0.00 34.13 31.96 2k3s s GLU 82 CO -0.01 0.44 1.42 0.28 0.02 0.00 0.00 175.26 177.41 2k3s h VAL 83 N 2.93 0.29 -0.72 2.63 2.07 -1.97 0.07 116.25 121.56 2k3s h VAL 83 Ca -0.47 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 66.90 2k3s h VAL 83 Cb 1.20 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2k3s h VAL 83 CO 0.52 0.02 0.47 0.44 0.02 0.00 0.00 177.57 179.05 2k3s h ASP 84 N -1.01 0.75 0.28 0.57 5.19 -1.97 -0.70 116.42 119.53 2k3s h ASP 84 Ca -0.09 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2k3s h ASP 84 Cb 0.70 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2k3s h ASP 84 CO 0.15 0.52 -0.13 -0.78 -3.12 0.00 0.00 179.24 175.87 2k3s h ASP 85 N 0.87 -0.31 -0.84 6.45 3.58 -1.94 -0.29 116.42 123.94 2k3s h ASP 85 Ca 0.29 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2k3s h ASP 85 Cb 0.06 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 2k3s h ASP 85 CO -0.08 -0.10 0.48 0.24 -2.88 0.00 0.00 179.24 176.90 2k3s h MET 86 N -0.52 1.16 -0.60 0.28 2.86 -0.60 0.35 114.93 117.85 2k3s h MET 86 Ca -0.04 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2k3s h MET 86 Cb 0.39 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2k3s h MET 86 CO 0.06 0.84 0.08 0.28 1.06 0.00 0.00 176.91 179.23 2k3s h VAL 87 N 1.17 1.25 0.03 -2.22 2.07 -1.06 0.47 116.25 117.97 2k3s h VAL 87 Ca 0.30 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2k3s h VAL 87 Cb -0.00 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2k3s h VAL 87 CO -0.05 0.37 -0.01 -0.09 0.02 0.00 0.00 177.57 177.80 2k3s h ARG 88 N 0.93 -0.04 -0.42 1.57 2.43 -0.55 -3.36 114.38 114.94 2k3s h ARG 88 Ca 0.19 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2k3s h ARG 88 Cb 0.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2k3s h ARG 88 CO 0.01 0.65 -0.02 1.25 -1.51 0.00 0.00 179.97 180.35 2k3s h LEU 89 N -0.89 0.75 0.00 3.80 6.46 -0.36 -3.46 115.31 121.60 2k3s h LEU 89 Ca -0.00 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2k3s h LEU 89 Cb 0.71 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2k3s h LEU 89 CO 0.01 0.89 0.00 0.00 -0.62 0.00 0.00 178.44 178.72 2k3s n ALA 90 N -2.42 0.00 -2.99 1.25 0.00 0.16 -4.82 120.51 111.69 2k3s n ALA 90 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 2k3s n ALA 90 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 5.12 0.45 0.00 1.01 -1.26 -4.04 120.40 121.68 2k3s s VAL 91 Ca 0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2k3s s VAL 91 Cb 0.00 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2k3s s VAL 91 CO 0.00 -0.62 1.06 -2.84 0.00 0.00 0.00 175.10 172.70 2k3s s PRO 92 N 1.61 3.91 0.22 2.72 0.02 -1.26 -5.01 135.00 137.21 2k3s s PRO 92 Ca 0.04 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 2k3s s PRO 92 Cb -0.25 -2.30 -0.09 0.00 0.02 0.00 0.00 34.50 31.88 2k3s s PRO 92 CO 0.06 -0.36 1.14 0.34 -0.33 0.00 0.00 177.00 177.85 2k3s s ASP 93 N -1.73 7.18 0.50 2.53 -1.08 -1.26 -4.42 116.67 118.40 2k3s s ASP 93 Ca 0.63 2.23 0.15 0.00 -0.52 0.00 0.00 52.55 55.04 2k3s s ASP 93 Cb -0.20 -2.62 1.20 0.00 -1.46 0.00 0.00 42.92 39.84 2k3s s ASP 93 CO 0.25 -0.26 2.13 -1.28 0.52 0.00 0.00 175.17 176.53 2k3s h SER 94 N 4.61 0.07 -0.19 -0.34 0.87 -1.95 -1.66 113.55 114.96 2k3s h SER 94 Ca -0.45 -0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.91 2k3s h SER 94 Cb 1.21 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2k3s h SER 94 CO 0.71 0.06 -0.63 0.50 -0.53 0.00 0.00 176.83 176.93 2k3s h LYS 95 N 0.08 0.77 -0.27 2.24 3.64 -1.91 -0.73 116.57 120.38 2k3s h LYS 95 Ca 0.02 -0.57 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2k3s h LYS 95 Cb 0.01 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2k3s h LYS 95 CO -0.00 1.19 0.03 0.00 -2.27 0.00 0.00 179.45 178.40 2k3s h VAL 97 N 0.26 1.28 0.02 0.00 2.07 -1.37 -2.20 116.25 116.31 2k3s h VAL 97 Ca 0.08 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.25 2k3s h VAL 97 Cb 0.36 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2k3s h VAL 97 CO 0.01 0.46 -0.16 0.22 0.02 0.00 0.00 177.57 178.12 2k3s h TYR 98 N 0.63 -0.40 -0.51 1.57 3.20 -1.06 -1.03 116.97 119.37 2k3s h TYR 98 Ca 0.08 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2k3s h TYR 98 Cb 0.79 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2k3s h TYR 98 CO 0.06 -0.23 0.22 1.15 -1.64 0.00 0.00 178.16 177.72 2k3s h THR 99 N -0.27 1.18 -0.33 1.81 2.02 -1.31 0.21 112.91 116.21 2k3s h THR 99 Ca 0.04 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2k3s h THR 99 Cb 0.32 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2k3s h THR 99 CO -0.13 0.22 0.13 0.22 0.37 0.00 0.00 175.52 176.33 2k3s h TYR 100 N 0.72 0.51 -0.02 3.16 3.20 -0.78 -2.13 116.97 121.63 2k3s h TYR 100 Ca 0.18 -0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.85 2k3s h TYR 100 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2k3s h TYR 100 CO 0.01 0.48 -0.72 0.82 -1.64 0.00 0.00 178.16 177.11 2k3s h ILE 101 N 0.39 1.47 0.21 1.81 1.08 -0.87 -2.38 117.51 119.23 2k3s h ILE 101 Ca 0.11 -2.34 0.01 0.00 -0.39 0.00 0.00 64.86 62.25 2k3s h ILE 101 Cb 0.19 2.26 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 2k3s h ILE 101 CO -0.01 0.68 -0.29 -0.61 -0.69 0.00 0.00 178.15 177.23 2k3s h GLN 102 N 0.08 -0.54 -0.29 2.37 4.15 -0.28 0.17 115.11 120.77 2k3s h GLN 102 Ca -0.02 0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.27 2k3s h GLN 102 Cb 1.27 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 2k3s h GLN 102 CO 0.10 -0.36 -0.50 0.93 -1.93 0.00 0.00 178.83 177.07 2k3s h GLU 103 N -0.56 0.82 -0.87 1.69 3.07 -1.45 -3.02 114.58 114.26 2k3s h GLU 103 Ca 0.01 -0.49 0.02 0.00 -0.50 0.00 0.00 59.36 58.40 2k3s h GLU 103 Cb 0.54 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 2k3s h GLU 103 CO -0.11 1.12 0.57 1.25 -1.40 0.00 0.00 179.01 180.45 2k3s h LEU 104 N 0.64 0.96 -0.95 1.33 5.85 -1.23 -1.69 115.31 120.23 2k3s h LEU 104 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k3s h LEU 104 Cb 1.09 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2k3s h LEU 104 CO 0.11 0.68 0.61 0.22 -0.34 0.00 0.00 178.44 179.72 2k3s h TYR 105 N 1.13 1.22 -0.29 1.25 3.20 -0.61 -2.34 116.97 120.54 2k3s h TYR 105 Ca 0.33 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 2k3s h TYR 105 Cb -0.06 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.78 2k3s h TYR 105 CO -0.02 0.79 0.17 0.00 -1.64 0.00 0.00 178.16 177.47 2k3s h ARG 106 N 1.30 0.40 -0.36 1.82 3.08 -1.20 -1.65 114.38 117.78 2k3s h ARG 106 Ca 0.35 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.37 2k3s h ARG 106 Cb -0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2k3s h ARG 106 CO -0.07 0.32 0.24 0.77 -1.07 0.00 0.00 179.97 180.16 2k3s h SER 107 N 0.37 0.38 1.16 7.04 0.02 -1.04 -1.01 113.55 120.47 2k3s h SER 107 Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2k3s h SER 107 Cb 0.02 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2k3s h SER 107 CO -0.02 0.27 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.45 2k3s h LEU 108 N 0.45 0.00 -0.03 5.07 3.38 -0.89 -2.97 115.31 120.31 2k3s h LEU 108 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2k3s h LEU 108 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k3s h LEU 108 CO -0.03 0.42 -0.34 0.58 0.09 0.00 0.00 178.44 179.16 2k3s h VAL 109 N 0.00 1.46 -0.03 1.22 2.07 -0.28 0.17 116.25 120.87 2k3s h VAL 109 Ca -0.00 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 2k3s h VAL 109 Cb 1.11 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 2k3s h VAL 109 CO 0.05 0.52 -0.18 0.06 0.02 0.00 0.00 177.57 178.05 2k3s h GLN 110 N -0.27 0.04 0.00 1.57 3.07 -1.46 -0.99 115.11 117.07 2k3s h GLN 110 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2k3s h GLN 110 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.59 2k3s h GLN 110 CO 0.07 0.22 -0.20 1.63 0.09 0.00 0.00 178.83 180.65 2k3s n LYS 111 N -4.31 0.18 -2.77 0.06 5.02 -1.12 -4.94 118.16 110.28 2k3s n LYS 111 Ca -0.02 0.11 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 2k3s n LYS 111 Cb 0.25 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.39 0.01 0.72 0.00 -0.38 -4.95 105.19 102.36 2k3s n GLY 112 Ca 0.05 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2k3s n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3s n LEU 113 N -1.91 0.25 0.05 0.99 4.77 0.01 -4.34 117.00 116.81 2k3s n LEU 113 Ca -0.01 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 2k3s n LEU 113 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 2k3s n LEU 113 CO 0.21 0.04 0.04 0.58 -1.33 0.00 0.00 177.39 176.92 2k3s h VAL 114 N 0.00 1.28 -0.59 4.08 2.07 -1.87 -3.34 116.25 117.88 2k3s h VAL 114 Ca 0.00 -2.30 -0.71 0.00 0.82 0.00 0.00 66.70 64.51 2k3s h VAL 114 Cb 0.90 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 2k3s h VAL 114 CO 0.00 0.71 3.05 1.17 0.02 0.00 0.00 177.57 182.51 2k3s n LYS 115 N -3.85 3.96 0.17 1.57 4.81 -1.26 -4.57 118.16 118.99 2k3s n LYS 115 Ca -0.12 -2.87 0.04 0.00 -0.87 0.00 0.00 58.31 54.49 2k3s n LYS 115 Cb 0.91 -2.80 0.23 0.00 0.02 0.00 0.00 35.03 33.39 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 3.02 0.98 -3.73 3.15 2.02 -1.84 -3.41 112.91 113.10 2k3s h THR 116 Ca 0.73 -1.84 -0.68 0.00 0.77 0.00 0.00 66.41 65.39 2k3s h THR 116 Cb 0.36 2.11 -0.33 0.00 -1.74 0.00 0.00 68.15 68.55 2k3s h THR 116 CO 1.66 0.45 -0.72 -0.75 0.37 0.00 0.00 175.52 176.54 2k3s s LYS 117 N -3.41 2.50 -0.55 6.66 2.20 -1.26 -5.06 119.74 120.81 2k3s s LYS 117 Ca 0.01 -1.21 -0.12 0.00 -0.36 0.00 0.00 55.97 54.29 2k3s s LYS 117 Cb 0.10 -3.12 0.14 0.00 -1.51 0.00 0.00 37.83 33.45 2k3s s LYS 117 CO 0.71 -0.57 0.46 0.21 -0.36 0.00 0.00 175.35 175.80 2k3s s LYS 118 N 1.26 2.80 0.00 4.03 2.20 -1.26 -5.20 119.74 123.57 2k3s s LYS 118 Ca -0.04 -1.90 0.00 0.00 -0.36 0.00 0.00 55.97 53.66 2k3s s LYS 118 Cb -0.19 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 2k3s s LYS 118 CO -0.02 -1.25 0.00 1.17 -0.36 0.00 0.00 175.35 174.89