#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s s PRO 2 N 0.00 3.05 -0.02 1.61 0.04 -1.26 -4.84 135.00 133.58 2k3s s PRO 2 Ca 0.00 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.12 2k3s s PRO 2 Cb 0.00 -4.23 -0.29 0.00 0.04 0.00 0.00 34.50 30.02 2k3s s PRO 2 CO 0.00 -2.28 0.78 -0.07 0.04 0.00 0.00 177.00 175.47 2k3s h LEU 3 N 14.02 0.48 -9.38 -3.56 3.38 -2.05 -3.47 115.31 114.73 2k3s h LEU 3 Ca -0.27 -0.68 -0.63 0.00 0.09 0.00 0.00 57.88 56.38 2k3s h LEU 3 Cb 1.09 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2k3s h LEU 3 CO 1.24 1.57 -0.70 -0.83 0.09 0.00 0.00 178.44 179.82 2k3s s GLY 4 N -5.02 1.76 -0.01 0.83 0.00 -1.26 -5.07 107.32 98.55 2k3s s GLY 4 Ca -0.12 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.16 2k3s s GLY 4 CO 0.85 -1.36 0.64 1.48 0.00 0.00 0.00 173.10 174.72 2k3s h SER 5 N 3.05 -0.28 0.29 1.64 4.64 -2.04 -3.23 113.55 117.61 2k3s h SER 5 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2k3s h SER 5 Cb 1.19 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2k3s h SER 5 CO 0.55 -0.08 0.00 2.29 -0.87 0.00 0.00 176.83 178.72 2k3s n LYS 6 N -3.55 0.01 -0.10 4.77 2.85 -1.26 -2.46 118.16 118.42 2k3s n LYS 6 Ca -0.04 0.33 0.02 0.00 -1.05 0.00 0.00 58.31 57.57 2k3s n LYS 6 Cb 0.13 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.34 2k3s n LYS 6 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2k3s h ASN 7 N 0.00 0.66 -0.20 -5.58 -0.73 -1.98 0.39 115.58 108.15 2k3s h ASN 7 Ca 0.00 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 2k3s h ASN 7 Cb 0.14 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2k3s h ASN 7 CO 0.00 0.49 -0.09 -0.03 -0.37 0.00 0.00 177.43 177.43 2k3s h MET 8 N 0.78 0.41 -0.22 6.67 4.05 -1.63 -1.83 114.93 123.16 2k3s h MET 8 Ca 0.21 -0.18 -0.12 0.00 -0.28 0.00 0.00 59.70 59.33 2k3s h MET 8 Cb -0.08 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2k3s h MET 8 CO -0.04 0.70 -0.36 -0.07 0.23 0.00 0.00 176.91 177.37 2k3s h LEU 9 N 0.11 0.51 -0.08 3.39 3.38 -1.58 -1.52 115.31 119.51 2k3s h LEU 9 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2k3s h LEU 9 Cb 0.58 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k3s h LEU 9 CO 0.03 0.83 0.04 0.25 0.09 0.00 0.00 178.44 179.68 2k3s h LEU 10 N 0.41 0.11 -0.69 1.67 5.85 -0.15 0.47 115.31 122.98 2k3s h LEU 10 Ca 0.04 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2k3s h LEU 10 Cb 0.83 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2k3s h LEU 10 CO 0.07 0.20 0.36 -0.08 -0.34 0.00 0.00 178.44 178.65 2k3s h GLU 11 N 0.01 0.98 0.53 1.25 4.57 -1.24 -0.15 114.58 120.52 2k3s h GLU 11 Ca 0.03 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2k3s h GLU 11 Cb 0.12 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2k3s h GLU 11 CO -0.00 0.75 -0.31 2.35 -1.18 0.00 0.00 179.01 180.61 2k3s h TRP 12 N 0.96 -0.82 -0.30 0.92 7.01 -0.97 -0.10 115.95 122.65 2k3s h TRP 12 Ca 0.24 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 2k3s h TRP 12 Cb 0.07 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 2k3s h TRP 12 CO -0.00 -0.48 -0.13 0.00 -2.79 0.00 0.00 178.44 175.04 2k3s h ARG 14 N 0.47 0.76 -0.13 0.00 3.08 -0.82 0.08 114.38 117.82 2k3s h ARG 14 Ca 0.09 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 2k3s h ARG 14 Cb 0.51 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 2k3s h ARG 14 CO 0.03 0.75 -0.64 0.00 -1.07 0.00 0.00 179.97 179.04 2k3s h ALA 15 N 0.98 0.64 0.05 0.04 0.00 -0.78 -1.01 119.26 119.18 2k3s h ALA 15 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2k3s h ALA 15 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k3s h ALA 15 CO 0.00 0.72 -0.02 1.98 0.00 0.00 0.00 179.25 181.93 2k3s h MET 16 N 0.35 -0.06 -0.21 0.00 1.85 -0.94 -2.98 114.93 112.93 2k3s h MET 16 Ca -0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2k3s h MET 16 Cb 1.20 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.25 2k3s h MET 16 CO 0.12 0.28 0.00 2.41 -0.40 0.00 0.00 176.91 179.32 2k3s n THR 17 N -4.95 0.28 0.24 -0.77 -1.04 0.00 -3.82 114.28 104.22 2k3s n THR 17 Ca -0.08 -0.30 0.11 0.00 -2.04 0.00 0.00 64.05 61.74 2k3s n THR 17 Cb 0.20 0.16 0.58 0.00 -1.82 0.00 0.00 70.33 69.45 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 1.40 0.00 -0.32 -2.82 2.43 -1.01 -1.60 114.38 112.45 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 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2k3s h ARG 18 CO 0.00 0.18 0.00 0.09 -1.51 0.00 0.00 179.97 178.73 2k3s n ASN 19 N -3.50 2.07 -4.37 -3.80 3.02 -1.25 -4.80 115.26 102.63 2k3s n ASN 19 Ca -0.01 -1.89 -0.35 0.00 -0.03 0.00 0.00 54.58 52.30 2k3s n ASN 19 Cb 0.34 -0.21 -0.13 0.00 -0.61 0.00 0.00 39.78 39.17 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2k3s s TYR 20 N -1.58 2.98 0.48 3.10 1.51 -0.60 -5.10 117.35 118.12 2k3s s TYR 20 Ca 0.30 -0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 55.48 2k3s s TYR 20 Cb 0.16 -2.08 -0.07 0.00 -0.11 0.00 0.00 41.96 39.85 2k3s s TYR 20 CO 0.22 -0.41 0.92 -1.83 -1.11 0.00 0.00 175.55 173.35 2k3s s GLU 21 N 1.23 3.90 0.00 -0.62 4.04 -1.26 -3.71 118.70 122.27 2k3s s GLU 21 Ca 0.03 0.82 0.00 0.00 0.04 0.00 0.00 54.97 55.86 2k3s s GLU 21 Cb -0.14 -2.21 0.00 0.00 0.02 0.00 0.00 34.13 31.80 2k3s s GLU 21 CO -0.01 -0.20 0.00 1.58 -1.84 0.00 0.00 175.26 174.79 2k3s n HIS 22 N -1.49 0.00 -3.97 4.83 -0.00 -1.26 -4.97 115.22 108.37 2k3s n HIS 22 Ca 0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.48 2k3s n HIS 22 Cb 0.54 -0.81 -0.16 0.00 -0.00 0.00 0.00 29.99 29.56 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2k3s s VAL 23 N -1.91 1.37 -0.14 3.57 1.01 -1.24 -5.07 120.40 117.99 2k3s s VAL 23 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2k3s s VAL 23 Cb 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2k3s s VAL 23 CO 0.00 0.34 0.01 -0.62 0.00 0.00 0.00 175.10 174.82 2k3s s ASP 24 N 1.55 2.41 -0.80 3.32 2.15 -1.26 -4.88 116.67 119.16 2k3s s ASP 24 Ca 0.03 -0.52 -0.18 0.00 0.43 0.00 0.00 52.55 52.31 2k3s s ASP 24 Cb -0.14 -0.59 0.14 0.00 -0.30 0.00 0.00 42.92 42.03 2k3s s ASP 24 CO -0.09 -0.24 0.91 -0.63 -0.17 0.00 0.00 175.17 174.95 2k3s s ILE 25 N 1.86 4.95 -0.06 4.11 1.01 -1.26 -4.72 121.20 127.10 2k3s s ILE 25 Ca 0.02 -1.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 2k3s s ILE 25 Cb -0.15 -4.62 -0.26 0.00 0.01 0.00 0.00 42.46 37.44 2k3s s ILE 25 CO -0.07 -1.28 0.62 0.06 0.00 0.00 0.00 174.94 174.27 2k3s h GLN 26 N 8.71 0.22 -2.58 2.79 3.07 -1.98 -3.47 115.11 121.87 2k3s h GLN 26 Ca -0.01 -0.37 0.06 0.00 0.09 0.00 0.00 58.65 58.43 2k3s h GLN 26 Cb 1.05 0.14 -0.13 0.00 0.08 0.00 0.00 27.48 28.61 2k3s h GLN 26 CO 1.02 1.04 0.38 0.54 0.09 0.00 0.00 178.83 181.90 2k3s s ASN 27 N -6.84 -0.43 -1.54 0.06 6.03 -1.26 -5.06 114.94 105.89 2k3s s ASN 27 Ca -0.14 -0.03 -0.11 0.00 -1.03 0.00 0.00 52.86 51.55 2k3s s ASN 27 Cb 0.07 0.48 -0.02 0.00 -3.03 0.00 0.00 41.25 38.74 2k3s s ASN 27 CO 0.82 -0.78 2.63 0.49 -2.03 0.00 0.00 177.10 178.22 2k3s n PHE 28 N -0.31 2.89 0.00 1.54 3.72 -1.26 -3.91 117.46 120.13 2k3s n PHE 28 Ca -0.12 -3.04 0.00 0.00 -0.05 0.00 0.00 57.45 54.25 2k3s n PHE 28 Cb 0.63 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.68 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 4.54 0.00 -0.32 4.37 3.41 -1.26 -3.17 113.62 121.19 2k3s n SER 29 Ca 0.67 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.24 2k3s n SER 29 Cb 0.30 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.02 0.52 4.04 4.64 -1.93 -1.33 113.55 120.50 2k3s h SER 30 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2k3s h SER 30 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2k3s h SER 30 CO 0.00 0.76 0.00 -1.20 -0.87 0.00 0.00 176.83 175.52 2k3s n SER 31 N -4.45 0.63 -0.66 4.97 7.64 -1.25 -1.81 113.62 118.68 2k3s n SER 31 Ca 0.09 0.69 0.07 0.00 1.01 0.00 0.00 58.87 60.73 2k3s n SER 31 Cb 0.03 -0.81 0.12 0.00 -1.01 0.00 0.00 64.21 62.54 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 -2.24 0.29 0.10 1.43 7.02 -0.55 -4.37 117.44 119.12 2k3s n TRP 32 Ca 0.01 -0.26 -0.05 0.00 -1.02 0.00 0.00 57.50 56.18 2k3s n TRP 32 Cb 0.17 -0.01 0.09 0.00 -2.42 0.00 0.00 31.31 29.14 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 2.57 0.18 0.67 -0.99 0.87 -0.85 -3.02 113.55 112.98 2k3s h SER 33 Ca 0.00 -0.12 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 2k3s h SER 33 Cb 0.68 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2k3s h SER 33 CO 0.00 0.82 -0.89 0.77 -0.53 0.00 0.00 176.83 177.00 2k3s h SER 34 N 0.10 0.19 0.00 6.23 4.64 -1.77 -3.48 113.55 119.46 2k3s h SER 34 Ca -0.02 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2k3s h SER 34 Cb 1.24 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2k3s h SER 34 CO 0.10 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 2k3s n GLY 35 N 0.92 3.21 0.26 -0.77 0.00 -1.14 -4.77 105.19 102.90 2k3s n GLY 35 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2k3s n GLY 35 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2k3s h MET 36 N 1.84 0.04 -0.50 1.61 2.86 -1.88 -1.84 114.93 117.06 2k3s h MET 36 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 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 0.07 0.33 0.00 1.06 0.00 0.00 176.91 178.37 2k3s h ALA 37 N 1.94 1.64 0.09 6.32 0.00 -1.89 -0.71 119.26 126.64 2k3s h ALA 37 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k3s h ALA 37 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k3s h ALA 37 CO 0.00 0.33 -0.04 0.74 0.00 0.00 0.00 179.25 180.28 2k3s h PHE 38 N 0.68 -0.11 -0.68 0.00 0.04 -1.67 -1.90 116.94 113.30 2k3s h PHE 38 Ca 0.18 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 2k3s h PHE 38 Cb -0.08 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 2k3s h PHE 38 CO 0.00 0.13 0.31 0.00 -0.60 0.00 0.00 178.31 178.15 2k3s h ALA 40 N 1.38 0.50 -0.31 0.00 0.00 -1.01 0.16 119.26 119.98 2k3s h ALA 40 Ca 0.23 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2k3s h ALA 40 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k3s h ALA 40 CO -0.03 0.05 -0.03 1.25 0.00 0.00 0.00 179.25 180.49 2k3s h LEU 41 N 0.49 0.56 -0.58 0.00 5.85 -1.00 -1.93 115.31 118.71 2k3s h LEU 41 Ca 0.13 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2k3s h LEU 41 Cb 0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2k3s h LEU 41 CO -0.02 0.76 0.23 0.40 -0.34 0.00 0.00 178.44 179.47 2k3s h ILE 42 N 0.34 1.23 0.00 4.05 1.08 -0.93 -2.36 117.51 120.92 2k3s h ILE 42 Ca 0.08 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.82 2k3s h ILE 42 Cb 0.49 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2k3s h ILE 42 CO 0.02 0.27 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.88 2k3s h HIS 43 N 0.80 0.00 -0.70 1.37 2.76 -0.60 0.15 115.15 118.93 2k3s h HIS 43 Ca 0.19 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2k3s h HIS 43 Cb 0.21 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 2k3s h HIS 43 CO 0.01 0.13 0.25 -0.22 -1.30 0.00 0.00 177.93 176.80 2k3s h LYS 44 N 0.00 1.05 0.05 5.26 3.11 -0.78 -3.20 116.57 122.04 2k3s h LYS 44 Ca -0.00 -0.19 -0.36 0.00 -2.81 0.00 0.00 60.65 57.29 2k3s h LYS 44 Cb 0.48 -0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 31.50 2k3s h LYS 44 CO 0.02 0.87 -2.12 1.19 -2.81 0.00 0.00 179.45 176.60 2k3s n PHE 45 N -4.28 0.68 -3.71 1.91 3.72 -0.98 -4.75 117.46 110.04 2k3s n PHE 45 Ca 0.06 0.18 -0.37 0.00 -0.05 0.00 0.00 57.45 57.26 2k3s n PHE 45 Cb 0.20 -1.10 -0.10 0.00 -0.94 0.00 0.00 39.48 37.53 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 -2.55 3.52 0.24 1.38 0.08 0.49 -4.94 117.98 116.21 2k3s s PHE 46 Ca -0.20 -2.38 0.02 0.00 0.12 0.00 0.00 56.93 54.50 2k3s s PHE 46 Cb 0.07 -3.28 0.27 0.00 -0.57 0.00 0.00 43.02 39.51 2k3s s PHE 46 CO 0.75 -0.95 1.60 -1.35 -0.10 0.00 0.00 175.22 175.16 2k3s h PRO 47 N 7.89 0.37 -0.40 0.24 0.11 -1.84 -2.99 132.00 135.39 2k3s h PRO 47 Ca -0.12 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2k3s h PRO 47 Cb 1.03 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k3s h PRO 47 CO 0.73 0.78 0.00 0.39 -0.21 0.00 0.00 178.00 179.70 2k3s n GLU 48 N -3.96 1.72 0.07 1.05 -0.58 -1.26 -4.18 120.64 113.50 2k3s n GLU 48 Ca -0.02 -0.89 -0.04 0.00 -0.42 0.00 0.00 57.16 55.79 2k3s n GLU 48 Cb 0.55 -1.33 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 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 3.23 -0.30 -2.06 0.62 0.00 -1.90 -3.49 119.26 115.35 2k3s h ALA 49 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2k3s h ALA 49 Cb 0.48 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.20 2k3s h ALA 49 CO 0.04 -0.28 0.50 -0.59 0.00 0.00 0.00 179.25 178.92 2k3s s PHE 50 N -2.36 -0.36 -0.18 0.00 -0.12 -1.26 -5.08 117.98 108.61 2k3s s PHE 50 Ca -0.04 0.36 -0.22 0.00 -0.05 0.00 0.00 56.93 56.98 2k3s s PHE 50 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 2k3s s PHE 50 CO 0.11 -0.49 0.70 0.34 -0.05 0.00 0.00 175.22 175.84 2k3s s ASP 51 N -2.06 6.79 0.50 1.98 -1.08 -1.26 -4.93 116.67 116.62 2k3s s ASP 51 Ca 0.03 0.97 0.28 0.00 -0.52 0.00 0.00 52.55 53.30 2k3s s ASP 51 Cb -0.01 -2.39 1.30 0.00 -1.46 0.00 0.00 42.92 40.37 2k3s s ASP 51 CO -0.05 -0.31 1.99 0.22 0.52 0.00 0.00 175.17 177.54 2k3s h TYR 52 N 7.39 0.00 0.00 -5.34 3.20 -1.95 -2.14 116.97 118.13 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 1.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2k3s h TYR 52 CO 0.71 0.14 0.00 0.00 -1.64 0.00 0.00 178.16 177.37 2k3s n ALA 53 N -2.23 2.18 -0.16 1.82 0.00 -1.26 -2.58 120.51 118.28 2k3s n ALA 53 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2k3s n ALA 53 Cb 0.30 -1.45 0.30 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.04 2.61 -3.99 0.00 1.02 -0.80 -4.87 120.64 112.56 2k3s n GLU 54 Ca 0.05 -2.49 -0.35 0.00 -0.02 0.00 0.00 57.16 54.35 2k3s n GLU 54 Cb 0.37 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k3s s LEU 55 N -1.07 2.96 0.06 -4.62 1.43 -1.06 -5.03 118.68 111.35 2k3s s LEU 55 Ca 0.46 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2k3s s LEU 55 Cb 0.24 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2k3s s LEU 55 CO 0.32 0.01 -0.04 -1.81 0.23 0.00 0.00 176.35 175.06 2k3s s ASP 56 N 1.32 4.79 0.63 2.29 1.11 -1.26 -5.01 116.67 120.54 2k3s s ASP 56 Ca 0.04 -0.20 0.41 0.00 0.18 0.00 0.00 52.55 52.98 2k3s s ASP 56 Cb -0.14 -1.10 2.08 0.00 1.07 0.00 0.00 42.92 44.82 2k3s s ASP 56 CO -0.02 0.21 2.25 1.55 1.18 0.00 0.00 175.17 180.35 2k3s h PRO 57 N 3.83 0.00 0.00 8.23 0.13 -1.99 -1.03 132.00 141.17 2k3s h PRO 57 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k3s h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k3s h PRO 57 CO 0.56 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2k3s n ALA 58 N -2.09 1.94 -1.72 -0.56 0.00 -1.26 -2.95 120.51 113.86 2k3s n ALA 58 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2k3s n ALA 58 Cb 0.15 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.89 3.15 -0.01 0.00 5.02 -0.39 -4.74 118.16 119.29 2k3s n LYS 59 Ca 0.04 -3.75 0.13 0.00 -2.02 0.00 0.00 58.31 52.71 2k3s n LYS 59 Cb 0.28 -2.28 0.57 0.00 -0.02 0.00 0.00 35.03 33.58 2k3s n LYS 59 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2k3s h ARG 60 N 2.15 0.24 0.19 1.97 0.11 -1.69 0.15 114.38 117.51 2k3s h ARG 60 Ca 0.49 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.54 2k3s h ARG 60 Cb 1.11 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2k3s h ARG 60 CO 1.18 0.16 -0.09 0.00 0.10 0.00 0.00 179.97 181.32 2k3s h ARG 61 N 0.25 -0.24 0.00 0.08 2.47 -1.90 -2.55 114.38 112.49 2k3s h ARG 61 Ca 0.23 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 2k3s h ARG 61 Cb 0.58 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2k3s h ARG 61 CO -0.05 0.06 -0.12 0.45 0.56 0.00 0.00 179.97 180.88 2k3s h HIS 62 N -0.56 0.00 -0.00 3.04 3.86 -1.82 -2.98 115.15 116.68 2k3s h HIS 62 Ca -0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k3s h HIS 62 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 2k3s h HIS 62 CO 0.02 0.12 0.00 -0.97 0.86 0.00 0.00 177.93 177.96 2k3s h ASN 63 N 0.00 0.01 -0.46 2.45 -1.24 -0.57 -0.41 115.58 115.36 2k3s h ASN 63 Ca -0.00 -0.21 -0.04 0.00 0.71 0.00 0.00 56.30 56.76 2k3s h ASN 63 Cb 0.68 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 2k3s h ASN 63 CO 0.02 0.21 0.13 -0.26 -1.29 0.00 0.00 177.43 176.24 2k3s h PHE 64 N -0.20 0.75 -0.17 0.67 0.04 -1.37 -1.51 116.94 115.16 2k3s h PHE 64 Ca 0.00 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2k3s h PHE 64 Cb 0.21 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2k3s h PHE 64 CO -0.01 0.68 0.09 1.79 -0.60 0.00 0.00 178.31 180.26 2k3s h THR 65 N 0.61 1.10 -0.40 -1.55 1.35 -1.50 -1.57 112.91 110.95 2k3s h THR 65 Ca 0.15 -0.27 0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2k3s h THR 65 Cb 0.29 0.98 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2k3s h THR 65 CO -0.00 0.09 0.22 0.25 -0.25 0.00 0.00 175.52 175.83 2k3s h LEU 66 N 0.17 0.34 0.98 3.87 5.85 -0.96 0.97 115.31 126.52 2k3s h LEU 66 Ca 0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2k3s h LEU 66 Cb 0.07 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2k3s h LEU 66 CO -0.01 0.25 -0.47 0.00 -0.34 0.00 0.00 178.44 177.87 2k3s h ALA 67 N 1.19 -1.32 -0.51 1.25 0.00 -1.12 -1.77 119.26 116.99 2k3s h ALA 67 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k3s h ALA 67 Cb 0.04 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2k3s h ALA 67 CO -0.10 -1.23 0.33 0.74 0.00 0.00 0.00 179.25 179.00 2k3s h PHE 68 N -1.34 0.65 -0.63 0.00 0.04 -1.25 0.69 116.94 115.10 2k3s h PHE 68 Ca -0.13 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 2k3s h PHE 68 Cb 1.00 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 2k3s h PHE 68 CO 0.00 0.42 0.37 1.03 -0.60 0.00 0.00 178.31 179.53 2k3s h SER 69 N 0.69 0.76 0.46 2.17 0.87 -0.83 0.17 113.55 117.85 2k3s h SER 69 Ca 0.19 -0.04 -0.29 0.00 -1.23 0.00 0.00 61.79 60.41 2k3s h SER 69 Cb -0.06 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2k3s h SER 69 CO -0.04 0.60 -1.29 0.74 -0.53 0.00 0.00 176.83 176.31 2k3s h THR 70 N 0.87 1.41 0.04 2.23 2.02 -0.95 -3.16 112.91 115.37 2k3s h THR 70 Ca 0.23 -2.86 -0.00 0.00 0.77 0.00 0.00 66.41 64.54 2k3s h THR 70 Cb -0.01 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2k3s h THR 70 CO -0.04 0.85 -0.02 0.00 0.37 0.00 0.00 175.52 176.68 2k3s h ALA 71 N 0.45 -0.05 0.00 6.16 0.00 -0.44 0.02 119.26 125.40 2k3s h ALA 71 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k3s h ALA 71 Cb 1.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2k3s h ALA 71 CO 0.23 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.43 2k3s n GLU 72 N -5.02 0.95 0.03 0.00 4.71 0.57 -0.33 120.64 121.54 2k3s n GLU 72 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2k3s n GLU 72 Cb 0.13 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 2k3s n GLU 72 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2k3s n LYS 73 N 0.31 0.00 0.13 3.49 4.81 -0.80 -4.35 118.16 121.76 2k3s n LYS 73 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2k3s n LYS 73 Cb 0.37 -0.32 0.04 0.00 0.02 0.00 0.00 35.03 35.14 2k3s n LYS 73 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k3s h LEU 74 N 0.00 0.00 0.00 3.14 3.38 -1.01 -3.40 115.31 117.42 2k3s h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k3s h LEU 74 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2k3s h LEU 74 CO 0.00 0.02 -0.83 0.00 0.09 0.00 0.00 178.44 177.72 2k3s n ALA 75 N -2.17 1.94 -2.22 1.53 0.00 -0.22 -5.09 120.51 114.28 2k3s n ALA 75 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k3s n ALA 75 Cb 0.56 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.11 -4.95 -1.80 0.00 8.00 0.55 -4.97 116.55 111.26 2k3s n ASP 76 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2k3s n ASP 76 Cb 0.41 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.33 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3s s ALA 78 N -2.45 3.50 -1.15 0.00 0.00 -1.26 -4.88 121.76 115.53 2k3s s ALA 78 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 2k3s s ALA 78 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2k3s s ALA 78 CO 0.00 -0.18 1.98 0.00 0.00 0.00 0.00 175.76 177.56 2k3s n GLN 79 N 4.27 2.23 0.00 0.00 10.64 -1.26 -4.62 117.38 128.64 2k3s n GLN 79 Ca -0.15 -2.44 0.14 0.00 -1.83 0.00 0.00 57.00 52.72 2k3s n GLN 79 Cb 0.52 -3.28 0.60 0.00 -0.86 0.00 0.00 30.24 27.22 2k3s n GLN 79 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2k3s n LEU 80 N 8.46 0.57 -3.82 2.61 4.77 -1.26 -4.79 117.00 123.54 2k3s n LEU 80 Ca 0.49 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 2k3s n LEU 80 Cb 0.42 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 2k3s n LEU 80 CO 0.89 0.10 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.94 2k3s s LEU 81 N -2.42 1.54 0.03 2.23 1.43 -1.26 -5.01 118.68 115.22 2k3s s LEU 81 Ca 0.30 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2k3s s LEU 81 Cb 0.20 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.35 2k3s s LEU 81 CO 0.46 -0.06 0.33 -1.61 0.23 0.00 0.00 176.35 175.70 2k3s s GLU 82 N 0.53 3.68 0.08 1.70 2.02 -1.26 -5.01 118.70 120.44 2k3s s GLU 82 Ca -0.04 0.07 -0.23 0.00 0.02 0.00 0.00 54.97 54.79 2k3s s GLU 82 Cb -0.06 -3.06 -0.14 0.00 0.10 0.00 0.00 34.13 30.97 2k3s s GLU 82 CO -0.01 0.62 1.70 0.28 0.02 0.00 0.00 175.26 177.86 2k3s h VAL 83 N 3.04 1.05 -0.57 2.63 2.07 -1.97 -0.09 116.25 122.41 2k3s h VAL 83 Ca -0.50 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2k3s h VAL 83 Cb 1.20 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2k3s h VAL 83 CO 0.66 0.04 0.18 -0.78 0.02 0.00 0.00 177.57 177.69 2k3s h ASP 84 N 0.00 0.83 0.11 0.57 1.82 -1.94 -2.42 116.42 115.38 2k3s h ASP 84 Ca 0.01 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2k3s h ASP 84 Cb 0.05 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.84 2k3s h ASP 84 CO -0.00 0.82 -0.07 -0.78 -1.61 0.00 0.00 179.24 177.59 2k3s h ASP 85 N 0.80 -0.17 -0.88 2.28 1.82 -1.91 0.15 116.42 118.50 2k3s h ASP 85 Ca 0.18 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2k3s h ASP 85 Cb 0.28 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.30 2k3s h ASP 85 CO -0.01 -0.11 0.53 0.24 -1.61 0.00 0.00 179.24 178.28 2k3s h MET 86 N -0.18 1.19 -0.27 0.28 2.86 -0.96 0.55 114.93 118.41 2k3s h MET 86 Ca -0.01 -0.11 -0.19 0.00 -2.06 0.00 0.00 59.70 57.33 2k3s h MET 86 Cb 0.15 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2k3s h MET 86 CO 0.01 0.83 -0.59 0.28 1.06 0.00 0.00 176.91 178.50 2k3s h VAL 87 N 1.20 1.27 -0.09 -2.22 2.07 -1.26 0.14 116.25 117.36 2k3s h VAL 87 Ca 0.31 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 2k3s h VAL 87 Cb -0.05 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k3s h VAL 87 CO -0.06 0.58 0.01 -0.09 0.02 0.00 0.00 177.57 178.03 2k3s h ARG 88 N 0.65 0.16 0.00 1.57 2.43 -0.34 -3.09 114.38 115.76 2k3s h ARG 88 Ca 0.00 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2k3s h ARG 88 Cb 1.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2k3s h ARG 88 CO 0.13 0.38 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.55 2k3s h LEU 89 N -0.09 0.00 0.00 3.80 3.38 -0.96 -3.47 115.31 117.97 2k3s h LEU 89 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k3s h LEU 89 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k3s h LEU 89 CO 0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 2k3s n ALA 90 N -2.19 0.00 -2.98 1.53 0.00 0.48 -4.78 120.51 112.57 2k3s n ALA 90 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 2k3s n ALA 90 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 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 4.32 0.74 0.00 1.01 -1.26 -4.32 120.40 120.89 2k3s s VAL 91 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 2k3s s VAL 91 Cb 0.00 -3.31 0.18 0.00 0.00 0.00 0.00 36.38 33.25 2k3s s VAL 91 CO 0.00 -0.06 0.90 -0.81 0.00 0.00 0.00 175.10 175.13 2k3s n PRO 92 N 4.93 -1.36 -3.96 2.72 -0.04 -1.26 -5.05 135.00 130.98 2k3s n PRO 92 Ca -0.13 -1.40 -0.35 0.00 -0.04 0.00 0.00 63.50 61.58 2k3s n PRO 92 Cb 0.47 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 2k3s n PRO 92 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k3s s ASP 93 N -4.22 5.51 0.54 3.54 2.15 -1.26 -4.81 116.67 118.11 2k3s s ASP 93 Ca 0.53 0.01 0.23 0.00 0.43 0.00 0.00 52.55 53.75 2k3s s ASP 93 Cb -0.02 -1.96 1.41 0.00 -0.30 0.00 0.00 42.92 42.05 2k3s s ASP 93 CO 0.38 0.12 2.06 -1.28 -0.17 0.00 0.00 175.17 176.28 2k3s h SER 94 N 7.09 0.00 -0.33 -0.34 0.87 -1.96 -0.76 113.55 118.12 2k3s h SER 94 Ca -0.37 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.14 2k3s h SER 94 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2k3s h SER 94 CO 0.66 0.00 0.02 0.50 -0.53 0.00 0.00 176.83 177.49 2k3s h LYS 95 N 0.00 0.67 0.11 2.24 3.64 -1.94 -1.29 116.57 120.00 2k3s h LYS 95 Ca 0.15 -0.16 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 2k3s h LYS 95 Cb 0.63 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2k3s h LYS 95 CO -0.00 0.68 -1.21 0.00 -2.27 0.00 0.00 179.45 176.64 2k3s h VAL 97 N 0.26 1.24 -0.72 0.00 2.07 -1.26 -2.64 116.25 115.20 2k3s h VAL 97 Ca -0.17 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 66.74 2k3s h VAL 97 Cb 1.89 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 2k3s h VAL 97 CO 0.23 0.28 0.40 0.22 0.02 0.00 0.00 177.57 178.72 2k3s h TYR 98 N 1.01 0.73 -0.48 1.57 3.20 -1.30 -1.43 116.97 120.26 2k3s h TYR 98 Ca 0.25 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2k3s h TYR 98 Cb 0.14 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2k3s h TYR 98 CO 0.01 0.32 0.20 1.15 -1.64 0.00 0.00 178.16 178.20 2k3s h THR 99 N 0.71 1.20 -0.64 1.81 2.02 -1.49 -1.19 112.91 115.32 2k3s h THR 99 Ca 0.34 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 2k3s h THR 99 Cb 0.27 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2k3s h THR 99 CO -0.22 0.23 0.25 0.22 0.37 0.00 0.00 175.52 176.37 2k3s h TYR 100 N 0.63 0.99 -0.58 3.16 3.20 -1.11 -1.21 116.97 122.05 2k3s h TYR 100 Ca 0.16 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2k3s h TYR 100 Cb 0.17 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2k3s h TYR 100 CO 0.00 0.78 0.08 0.82 -1.64 0.00 0.00 178.16 178.20 2k3s h ILE 101 N 0.90 1.25 -0.54 1.81 1.08 -1.10 -0.93 117.51 119.97 2k3s h ILE 101 Ca 0.21 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.68 2k3s h ILE 101 Cb 0.22 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2k3s h ILE 101 CO -0.02 0.36 0.19 -0.61 -0.69 0.00 0.00 178.15 177.38 2k3s h GLN 102 N 0.88 0.83 -0.36 2.37 4.15 -0.80 0.12 115.11 122.30 2k3s h GLN 102 Ca 0.18 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2k3s h GLN 102 Cb 0.40 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2k3s h GLN 102 CO 0.01 0.74 0.07 0.93 -1.93 0.00 0.00 178.83 178.66 2k3s h GLU 103 N 0.75 0.59 -0.51 1.69 4.39 -0.93 -2.41 114.58 118.14 2k3s h GLU 103 Ca 0.18 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2k3s h GLU 103 Cb 0.25 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2k3s h GLU 103 CO -0.01 0.65 0.22 1.25 -1.16 0.00 0.00 179.01 179.97 2k3s h LEU 104 N 0.44 0.68 -0.90 1.33 5.85 -0.97 -2.71 115.31 119.03 2k3s h LEU 104 Ca 0.11 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2k3s h LEU 104 Cb 0.34 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2k3s h LEU 104 CO 0.00 0.64 0.56 0.22 -0.34 0.00 0.00 178.44 179.53 2k3s h TYR 105 N 0.68 1.03 -0.49 1.25 3.20 -0.61 -1.60 116.97 120.43 2k3s h TYR 105 Ca 0.17 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.10 2k3s h TYR 105 Cb 0.16 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2k3s h TYR 105 CO -0.00 0.49 0.28 0.00 -1.64 0.00 0.00 178.16 177.29 2k3s h ARG 106 N 0.98 0.54 -0.05 1.82 3.08 -1.12 -1.12 114.38 118.51 2k3s h ARG 106 Ca 0.41 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 2k3s h ARG 106 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2k3s h ARG 106 CO -0.20 0.36 -0.25 0.77 -1.07 0.00 0.00 179.97 179.58 2k3s h SER 107 N 0.56 0.09 -0.10 7.04 0.02 -1.15 -2.17 113.55 117.84 2k3s h SER 107 Ca 0.20 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 2k3s h SER 107 Cb 0.05 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2k3s h SER 107 CO -0.10 0.34 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.32 2k3s h LEU 108 N 0.08 0.76 0.10 5.07 3.38 -0.43 -2.21 115.31 122.07 2k3s h LEU 108 Ca 0.01 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k3s h LEU 108 Cb 0.49 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k3s h LEU 108 CO 0.03 1.15 -0.05 0.58 0.09 0.00 0.00 178.44 180.24 2k3s h VAL 109 N 0.53 1.10 -0.58 1.22 2.07 -0.84 -1.15 116.25 118.60 2k3s h VAL 109 Ca 0.01 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2k3s h VAL 109 Cb 1.10 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2k3s h VAL 109 CO 0.11 0.20 0.28 0.06 0.02 0.00 0.00 177.57 178.23 2k3s h GLN 110 N -0.52 0.81 -0.07 1.57 3.07 -1.46 -2.01 115.11 116.50 2k3s h GLN 110 Ca -0.01 -0.10 -0.14 0.00 0.09 0.00 0.00 58.65 58.49 2k3s h GLN 110 Cb 0.42 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2k3s h GLN 110 CO 0.02 0.63 -0.57 -0.22 0.09 0.00 0.00 178.83 178.78 2k3s h LYS 111 N 0.81 0.21 0.00 0.06 3.64 -1.39 -3.47 116.57 116.44 2k3s h LYS 111 Ca 0.20 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2k3s h LYS 111 Cb 0.09 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2k3s h LYS 111 CO -0.03 0.73 0.00 0.41 -2.27 0.00 0.00 179.45 178.29 2k3s n GLY 112 N 0.19 0.85 0.21 5.01 0.00 -0.54 -4.97 105.19 105.95 2k3s n GLY 112 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.88 2k3s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3s h LEU 113 N 0.00 0.00 -1.17 0.99 3.38 -1.55 -2.45 115.31 114.51 2k3s h LEU 113 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2k3s h LEU 113 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2k3s h LEU 113 CO 0.00 0.30 -0.41 0.58 0.09 0.00 0.00 178.44 179.00 2k3s h VAL 114 N 0.00 1.30 -1.83 1.22 2.07 -1.89 -3.15 116.25 113.97 2k3s h VAL 114 Ca -0.00 -1.42 -0.72 0.00 0.82 0.00 0.00 66.70 65.37 2k3s h VAL 114 Cb 0.63 1.76 -0.25 0.00 -1.52 0.00 0.00 31.29 31.92 2k3s h VAL 114 CO 0.04 0.41 0.97 0.29 0.02 0.00 0.00 177.57 179.29 2k3s n LYS 115 N -4.05 2.92 -0.06 1.57 5.02 -0.92 -4.46 118.16 118.18 2k3s n LYS 115 Ca -0.02 -3.39 -0.09 0.00 -2.02 0.00 0.00 58.31 52.79 2k3s n LYS 115 Cb 0.44 -2.27 -0.15 0.00 -0.02 0.00 0.00 35.03 33.04 2k3s n LYS 115 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2k3s n THR 116 N -0.20 1.51 -3.67 -0.18 5.66 -1.19 -4.97 114.28 111.24 2k3s n THR 116 Ca 0.53 -0.82 -0.13 0.00 -3.05 0.00 0.00 64.05 60.58 2k3s n THR 116 Cb 0.29 -0.79 -0.08 0.00 -1.55 0.00 0.00 70.33 68.20 2k3s n THR 116 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2k3s s LYS 117 N -2.55 0.67 0.20 1.09 2.20 -1.26 -5.17 119.74 114.91 2k3s s LYS 117 Ca -0.07 0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 2k3s s LYS 117 Cb 0.07 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2k3s s LYS 117 CO 0.83 -0.10 0.17 -1.59 -0.36 0.00 0.00 175.35 174.30 2k3s s LYS 118 N 0.57 1.22 0.00 4.03 -2.85 -1.26 -5.12 119.74 116.32 2k3s s LYS 118 Ca -0.02 -1.56 0.04 0.00 -1.00 0.00 0.00 55.97 53.44 2k3s s LYS 118 Cb -0.05 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 2k3s s LYS 118 CO -0.03 -0.41 0.64 1.63 0.10 0.00 0.00 175.35 177.28