#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 0.00 -0.05 1.61 -0.02 -1.26 -4.43 135.00 130.86 2k3s n PRO 2 Ca 0.00 0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2k3s n PRO 2 Cb 0.00 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 2k3s n PRO 2 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k3s h LEU 3 N 0.00 -0.02 -0.31 2.45 3.38 -2.06 -3.51 115.31 115.23 2k3s h LEU 3 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3s h LEU 3 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k3s h LEU 3 CO 0.00 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2k3s n GLY 4 N 1.57 -0.21 0.50 0.83 0.00 -1.26 -4.34 105.19 102.27 2k3s n GLY 4 Ca -0.05 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 2k3s n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3s h SER 5 N 0.00 -1.39 -0.73 1.61 4.64 -1.98 0.24 113.55 115.95 2k3s h SER 5 Ca 0.00 0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2k3s h SER 5 Cb 0.00 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 2k3s h SER 5 CO 0.00 -0.67 0.48 0.50 -0.87 0.00 0.00 176.83 176.27 2k3s h LYS 6 N -1.02 0.95 -0.06 4.77 3.64 -1.99 -0.71 116.57 122.15 2k3s h LYS 6 Ca -0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2k3s h LYS 6 Cb 0.88 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2k3s h LYS 6 CO -0.05 0.63 -0.01 -0.97 -2.27 0.00 0.00 179.45 176.78 2k3s h ASN 7 N 0.98 0.11 -0.71 4.20 -1.24 -1.75 -1.08 115.58 116.09 2k3s h ASN 7 Ca 0.27 -0.34 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 2k3s h ASN 7 Cb -0.09 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 2k3s h ASN 7 CO -0.06 0.42 0.41 -0.03 -1.29 0.00 0.00 177.43 176.88 2k3s h MET 8 N -0.20 0.97 -0.69 6.67 4.05 -0.22 -0.52 114.93 124.98 2k3s h MET 8 Ca 0.02 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2k3s h MET 8 Cb 0.37 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2k3s h MET 8 CO 0.00 0.70 0.26 -0.07 0.23 0.00 0.00 176.91 178.04 2k3s h LEU 9 N 0.96 0.97 -0.34 3.39 3.38 -1.08 0.17 115.31 122.77 2k3s h LEU 9 Ca 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k3s h LEU 9 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2k3s h LEU 9 CO -0.05 0.89 0.14 0.25 0.09 0.00 0.00 178.44 179.77 2k3s h LEU 10 N 1.00 0.46 -0.36 1.67 5.85 -0.72 0.16 115.31 123.36 2k3s h LEU 10 Ca 0.23 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2k3s h LEU 10 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2k3s h LEU 10 CO -0.02 0.49 0.14 -0.08 -0.34 0.00 0.00 178.44 178.63 2k3s h GLU 11 N 0.40 0.54 -0.22 1.25 4.81 -0.85 -1.15 114.58 119.35 2k3s h GLU 11 Ca 0.11 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2k3s h GLU 11 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k3s h GLU 11 CO -0.01 0.54 0.13 2.35 -0.73 0.00 0.00 179.01 181.28 2k3s h TRP 12 N 0.43 0.24 0.43 0.92 7.01 -0.48 -0.28 115.95 124.23 2k3s h TRP 12 Ca 0.12 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2k3s h TRP 12 Cb 0.20 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2k3s h TRP 12 CO 0.00 0.14 -0.21 0.00 -2.79 0.00 0.00 178.44 175.59 2k3s h ARG 14 N -0.63 0.95 -0.59 0.00 2.43 -1.11 -0.91 114.38 114.51 2k3s h ARG 14 Ca -0.06 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2k3s h ARG 14 Cb 0.47 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2k3s h ARG 14 CO 0.10 0.63 0.39 0.00 -1.51 0.00 0.00 179.97 179.58 2k3s h ALA 15 N 1.53 1.86 -0.41 2.80 0.00 -0.88 0.21 119.26 124.38 2k3s h ALA 15 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2k3s h ALA 15 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k3s h ALA 15 CO -0.18 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2k3s n MET 16 N -4.48 2.87 0.00 0.00 0.00 -0.62 -4.39 117.12 110.50 2k3s n MET 16 Ca 0.09 -2.18 0.00 0.00 0.00 0.00 0.00 57.70 55.61 2k3s n MET 16 Cb 0.27 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 32.15 2k3s n MET 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2k3s n THR 17 N 0.66 0.00 0.30 3.17 -1.04 -0.44 -4.62 114.28 112.31 2k3s n THR 17 Ca 0.14 -0.29 0.17 0.00 -2.04 0.00 0.00 64.05 62.03 2k3s n THR 17 Cb 0.48 0.79 0.77 0.00 -1.82 0.00 0.00 70.33 70.55 2k3s n THR 17 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 2k3s h ARG 18 N 0.00 0.00 0.00 -2.82 0.11 -0.82 -0.78 114.38 110.06 2k3s h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k3s h ARG 18 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2k3s h ARG 18 CO 0.00 0.00 0.00 -2.95 0.10 0.00 0.00 179.97 177.12 2k3s h ASN 19 N 0.00 0.00 -3.59 0.08 -1.07 -1.83 -3.42 115.58 105.75 2k3s h ASN 19 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.74 2k3s h ASN 19 Cb 0.27 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.38 2k3s h ASN 19 CO 0.00 0.00 0.27 -0.31 0.07 0.00 0.00 177.43 177.46 2k3s s TYR 20 N -3.17 3.05 0.54 4.14 2.02 -0.30 -5.03 117.35 118.60 2k3s s TYR 20 Ca 0.09 0.21 -0.22 0.00 -0.37 0.00 0.00 57.07 56.77 2k3s s TYR 20 Cb 0.10 -3.47 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 2k3s s TYR 20 CO 0.59 -0.86 1.38 -1.83 -1.57 0.00 0.00 175.55 173.26 2k3s s GLU 21 N 3.07 3.18 0.00 -0.62 -1.05 -1.26 -2.45 118.70 119.56 2k3s s GLU 21 Ca 0.28 2.29 0.00 0.00 -0.15 0.00 0.00 54.97 57.39 2k3s s GLU 21 Cb -0.13 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2k3s s GLU 21 CO 0.20 -1.18 0.00 1.58 0.95 0.00 0.00 175.26 176.81 2k3s n HIS 22 N -0.95 0.00 -3.50 4.83 -0.00 -1.26 -4.96 115.22 109.39 2k3s n HIS 22 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.40 2k3s n HIS 22 Cb 0.44 -0.02 -0.09 0.00 -0.00 0.00 0.00 29.99 30.33 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 -1.84 4.70 -0.31 3.57 1.01 -1.03 -5.02 120.40 121.49 2k3s s VAL 23 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.75 2k3s s VAL 23 Cb 0.00 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.61 2k3s s VAL 23 CO 0.00 -0.56 -0.00 -0.62 0.00 0.00 0.00 175.10 173.92 2k3s s ASP 24 N 2.40 4.63 -0.71 3.32 -1.08 -1.26 -4.61 116.67 119.36 2k3s s ASP 24 Ca 0.04 -1.88 -0.25 0.00 -0.52 0.00 0.00 52.55 49.93 2k3s s ASP 24 Cb -0.24 -1.57 0.05 0.00 -1.46 0.00 0.00 42.92 39.69 2k3s s ASP 24 CO 0.04 -0.32 1.15 -0.63 0.52 0.00 0.00 175.17 175.93 2k3s s ILE 25 N 0.99 3.97 -0.42 4.11 1.01 -1.26 -4.74 121.20 124.86 2k3s s ILE 25 Ca 0.04 0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.88 2k3s s ILE 25 Cb -0.19 -4.82 -0.11 0.00 0.01 0.00 0.00 42.46 37.34 2k3s s ILE 25 CO -0.07 -1.69 0.40 0.00 0.00 0.00 0.00 174.94 173.58 2k3s n GLN 26 N 8.68 3.40 -3.74 2.79 0.00 -1.26 -4.89 117.38 122.36 2k3s n GLN 26 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 57.00 56.86 2k3s n GLN 26 Cb 0.47 -0.99 -0.02 0.00 0.00 0.00 0.00 30.24 29.70 2k3s n GLN 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2k3s n ASN 27 N -1.29 -1.32 -1.73 2.61 2.85 -1.26 -5.06 115.26 110.06 2k3s n ASN 27 Ca 0.01 -2.70 -0.18 0.00 -0.11 0.00 0.00 54.58 51.60 2k3s n ASN 27 Cb 0.16 2.42 0.10 0.00 1.24 0.00 0.00 39.78 43.71 2k3s n ASN 27 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k3s n PHE 28 N -0.52 2.16 0.00 1.20 3.72 -1.26 -4.57 117.46 118.19 2k3s n PHE 28 Ca -0.00 -2.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.25 2k3s n PHE 28 Cb 0.53 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.92 0.00 -0.35 4.37 3.41 -1.26 -3.64 113.62 115.23 2k3s n SER 29 Ca 0.43 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 2k3s n SER 29 Cb 0.93 0.09 0.21 0.00 -0.26 0.00 0.00 64.21 65.17 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 0.89 0.52 4.04 0.02 -1.87 0.12 113.55 117.27 2k3s h SER 30 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 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 0.50 0.00 -1.54 -1.14 0.00 0.00 176.83 174.65 2k3s n SER 31 N -4.63 0.00 -0.56 3.07 3.41 -1.26 -2.26 113.62 111.40 2k3s n SER 31 Ca 0.17 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 2k3s n SER 31 Cb 0.30 -0.43 0.10 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.43 0.22 0.23 7.33 7.02 0.00 -4.50 117.44 126.31 2k3s n TRP 32 Ca 0.06 -0.23 0.08 0.00 -1.02 0.00 0.00 57.50 56.39 2k3s n TRP 32 Cb 0.19 -0.01 0.53 0.00 -2.42 0.00 0.00 31.31 29.60 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 2.20 0.00 1.17 -0.99 0.02 -1.14 -2.23 113.55 112.58 2k3s h SER 33 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2k3s h SER 33 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2k3s h SER 33 CO 0.00 0.23 -0.87 0.77 -1.14 0.00 0.00 176.83 175.83 2k3s h SER 34 N 0.00 0.00 0.00 3.07 4.64 -1.79 -3.48 113.55 116.00 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 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2k3s h SER 34 CO 0.03 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2k3s n GLY 35 N 1.30 1.84 0.25 -0.77 0.00 -0.84 -4.83 105.19 102.13 2k3s n GLY 35 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 2.60 0.00 -0.02 1.61 2.86 -1.87 -2.45 114.93 117.66 2k3s h MET 36 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2k3s h MET 36 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2k3s h MET 36 CO 0.00 0.16 -0.72 0.00 1.06 0.00 0.00 176.91 177.41 2k3s h ALA 37 N 1.84 0.76 0.17 6.32 0.00 -1.89 -2.13 119.26 124.32 2k3s h ALA 37 Ca -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2k3s h ALA 37 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k3s h ALA 37 CO 0.02 0.85 -0.08 0.74 0.00 0.00 0.00 179.25 180.78 2k3s h PHE 38 N 0.07 -0.21 -0.09 0.00 0.04 -1.81 -2.57 116.94 112.37 2k3s h PHE 38 Ca -0.02 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 2k3s h PHE 38 Cb 1.28 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 2k3s h PHE 38 CO 0.01 0.13 -0.30 0.00 -0.60 0.00 0.00 178.31 177.56 2k3s h ALA 40 N 1.55 0.34 -0.56 0.00 0.00 -1.33 0.22 119.26 119.48 2k3s h ALA 40 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k3s h ALA 40 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k3s h ALA 40 CO 0.04 -0.16 0.21 1.25 0.00 0.00 0.00 179.25 180.60 2k3s h LEU 41 N 0.34 0.78 -0.55 0.00 5.85 -1.25 -0.73 115.31 119.74 2k3s h LEU 41 Ca 0.10 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 2k3s h LEU 41 Cb 0.02 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2k3s h LEU 41 CO -0.02 0.74 0.13 0.40 -0.34 0.00 0.00 178.44 179.35 2k3s h ILE 42 N 0.76 1.25 -0.17 4.05 1.08 -1.21 -2.48 117.51 120.79 2k3s h ILE 42 Ca 0.18 -0.90 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 2k3s h ILE 42 Cb 0.21 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 2k3s h ILE 42 CO -0.01 0.33 -0.11 -0.74 -0.69 0.00 0.00 178.15 176.93 2k3s h HIS 43 N 0.79 0.28 -0.23 1.37 2.76 -0.29 0.11 115.15 119.94 2k3s h HIS 43 Ca 0.17 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 2k3s h HIS 43 Cb 0.36 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2k3s h HIS 43 CO 0.02 0.38 -0.33 -0.22 -1.30 0.00 0.00 177.93 176.48 2k3s h LYS 44 N 0.26 0.48 0.05 5.26 3.11 -0.71 -3.18 116.57 121.83 2k3s h LYS 44 Ca 0.05 -0.21 -0.06 0.00 -2.81 0.00 0.00 60.65 57.62 2k3s h LYS 44 Cb 0.35 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.58 2k3s h LYS 44 CO 0.02 0.75 -0.27 0.74 -2.81 0.00 0.00 179.45 177.88 2k3s h PHE 45 N 0.41 0.19 -3.63 1.91 0.04 -0.97 -3.43 116.94 111.45 2k3s h PHE 45 Ca 0.05 -0.13 -0.63 0.00 2.80 0.00 0.00 57.97 60.05 2k3s h PHE 45 Cb 0.78 -0.01 -0.39 0.00 2.20 0.00 0.00 35.95 38.53 2k3s h PHE 45 CO 0.03 1.10 -0.76 -0.06 -0.60 0.00 0.00 178.31 178.01 2k3s s PHE 46 N -2.31 2.91 -0.69 -0.55 0.08 0.31 -4.97 117.98 112.76 2k3s s PHE 46 Ca -0.17 -2.27 0.25 0.00 0.12 0.00 0.00 56.93 54.86 2k3s s PHE 46 Cb -0.02 -2.10 0.90 0.00 -0.57 0.00 0.00 43.02 41.23 2k3s s PHE 46 CO 0.74 -0.87 1.76 -0.35 -0.10 0.00 0.00 175.22 176.40 2k3s n PRO 47 N 4.51 0.21 -0.39 0.24 -0.04 -1.20 -2.96 135.00 135.37 2k3s n PRO 47 Ca -0.06 0.26 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 2k3s n PRO 47 Cb 0.43 -1.78 0.25 0.00 -0.04 0.00 0.00 33.50 32.36 2k3s n PRO 47 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k3s n GLU 48 N -2.15 2.72 0.00 0.54 0.28 -1.26 -4.46 120.64 116.31 2k3s n GLU 48 Ca 0.05 -2.02 0.00 0.00 -0.16 0.00 0.00 57.16 55.03 2k3s n GLU 48 Cb 0.35 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.61 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3s n ALA 49 N 0.86 0.00 -2.99 -1.84 0.00 -1.16 -5.05 120.51 110.34 2k3s n ALA 49 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2k3s n ALA 49 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.75 -0.15 -0.06 0.00 -0.12 -1.26 -5.14 117.98 110.50 2k3s s PHE 50 Ca 0.00 -0.05 -0.26 0.00 -0.05 0.00 0.00 56.93 56.56 2k3s s PHE 50 Cb 0.00 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 2k3s s PHE 50 CO 0.00 -0.58 0.83 0.34 -0.05 0.00 0.00 175.22 175.76 2k3s s ASP 51 N -2.36 7.13 0.31 1.98 -1.08 -1.26 -4.92 116.67 116.47 2k3s s ASP 51 Ca -0.02 1.37 0.19 0.00 -0.52 0.00 0.00 52.55 53.57 2k3s s ASP 51 Cb 0.01 -2.48 0.14 0.00 -1.46 0.00 0.00 42.92 39.13 2k3s s ASP 51 CO -0.06 -0.23 1.42 0.22 0.52 0.00 0.00 175.17 177.04 2k3s h TYR 52 N 6.87 0.00 0.00 -5.34 3.20 -1.97 -3.23 116.97 116.51 2k3s h TYR 52 Ca -0.39 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 2k3s h TYR 52 Cb 1.19 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 2k3s h TYR 52 CO 0.67 0.28 -0.15 0.00 -1.64 0.00 0.00 178.16 177.33 2k3s h ALA 53 N 1.72 1.08 -0.54 1.82 0.00 -2.04 -2.20 119.26 119.09 2k3s h ALA 53 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k3s h ALA 53 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k3s h ALA 53 CO 0.03 0.18 0.00 -1.91 0.00 0.00 0.00 179.25 177.56 2k3s n GLU 54 N -3.38 2.60 -2.73 0.00 2.13 -1.22 -4.86 120.64 113.18 2k3s n GLU 54 Ca -0.00 -2.44 -0.42 0.00 0.66 0.00 0.00 57.16 54.96 2k3s n GLU 54 Cb 0.34 -1.52 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 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 -1.21 3.95 0.02 4.31 1.43 -0.83 -5.00 118.68 121.35 2k3s s LEU 55 Ca 0.42 -0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 52.34 2k3s s LEU 55 Cb 0.23 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2k3s s LEU 55 CO 0.31 -1.55 0.71 -0.62 0.23 0.00 0.00 176.35 175.44 2k3s s ASP 56 N 3.82 7.12 0.64 2.29 -1.08 -1.26 -4.96 116.67 123.24 2k3s s ASP 56 Ca 0.30 1.34 0.37 0.00 -0.52 0.00 0.00 52.55 54.03 2k3s s ASP 56 Cb -0.11 -2.43 2.06 0.00 -1.46 0.00 0.00 42.92 40.97 2k3s s ASP 56 CO 0.08 0.02 2.23 -0.65 0.52 0.00 0.00 175.17 177.37 2k3s h PRO 57 N 5.82 0.00 0.00 4.34 0.11 -1.95 -0.22 132.00 140.09 2k3s h PRO 57 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2k3s h PRO 57 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k3s h PRO 57 CO 0.71 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2k3s n ALA 58 N -2.13 2.14 -1.03 -0.75 0.00 -1.26 -2.90 120.51 114.58 2k3s n ALA 58 Ca -0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 2k3s n ALA 58 Cb 0.17 -1.41 0.20 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.64 2.52 -0.26 0.00 5.02 -0.10 -4.68 118.16 119.03 2k3s n LYS 59 Ca 0.06 -2.82 0.07 0.00 -2.02 0.00 0.00 58.31 53.60 2k3s n LYS 59 Cb 0.31 -2.12 0.20 0.00 -0.02 0.00 0.00 35.03 33.40 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 1.33 0.19 -0.14 1.97 3.08 -1.69 0.62 114.38 119.74 2k3s h ARG 60 Ca 0.51 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.56 2k3s h ARG 60 Cb 2.63 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.62 2k3s h ARG 60 CO 0.95 0.13 0.04 0.00 -1.07 0.00 0.00 179.97 180.02 2k3s h ARG 61 N 0.20 0.10 -0.43 0.04 3.08 -1.90 0.17 114.38 115.64 2k3s h ARG 61 Ca 0.45 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.37 2k3s h ARG 61 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2k3s h ARG 61 CO -0.60 0.07 -0.22 0.45 -1.07 0.00 0.00 179.97 178.59 2k3s h HIS 62 N 0.11 1.00 0.23 3.04 3.86 -1.58 -2.69 115.15 119.12 2k3s h HIS 62 Ca 0.06 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2k3s h HIS 62 Cb 0.04 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2k3s h HIS 62 CO -0.11 1.01 -0.11 -0.97 0.86 0.00 0.00 177.93 178.60 2k3s h ASN 63 N 0.76 -0.26 -0.66 2.45 -1.24 0.61 0.16 115.58 117.39 2k3s h ASN 63 Ca 0.10 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.17 2k3s h ASN 63 Cb 0.77 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.83 2k3s h ASN 63 CO 0.06 -0.19 0.37 -0.26 -1.29 0.00 0.00 177.43 176.13 2k3s h PHE 64 N -0.32 0.68 0.08 0.67 0.04 -0.66 0.54 116.94 117.97 2k3s h PHE 64 Ca -0.03 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k3s h PHE 64 Cb 0.24 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2k3s h PHE 64 CO -0.06 0.33 -0.04 1.15 -0.60 0.00 0.00 178.31 179.09 2k3s h THR 65 N 0.69 1.01 -0.81 -1.55 2.02 -1.24 -2.60 112.91 110.44 2k3s h THR 65 Ca 0.29 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2k3s h THR 65 Cb 0.17 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 2k3s h THR 65 CO -0.17 0.08 0.51 0.25 0.37 0.00 0.00 175.52 176.55 2k3s h LEU 66 N -0.26 0.81 -0.10 2.58 5.85 -0.27 0.21 115.31 124.14 2k3s h LEU 66 Ca -0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k3s h LEU 66 Cb 0.22 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2k3s h LEU 66 CO 0.02 0.54 -0.02 0.00 -0.34 0.00 0.00 178.44 178.64 2k3s h ALA 67 N 1.36 0.07 -0.07 1.25 0.00 -0.78 -0.87 119.26 120.22 2k3s h ALA 67 Ca 0.34 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k3s h ALA 67 Cb 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k3s h ALA 67 CO -0.14 -0.48 -0.09 0.74 0.00 0.00 0.00 179.25 179.28 2k3s h PHE 68 N 0.01 0.22 -0.80 0.00 0.04 -1.07 -3.10 116.94 112.24 2k3s h PHE 68 Ca 0.05 -0.07 0.10 0.00 2.80 0.00 0.00 57.97 60.84 2k3s h PHE 68 Cb 0.07 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 2k3s h PHE 68 CO -0.14 0.66 0.44 0.77 -0.60 0.00 0.00 178.31 179.44 2k3s h SER 69 N -0.28 0.61 -0.76 2.17 0.02 -0.52 -1.43 113.55 113.36 2k3s h SER 69 Ca 0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2k3s h SER 69 Cb 0.63 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 2k3s h SER 69 CO 0.02 0.34 0.44 0.74 -1.14 0.00 0.00 176.83 177.24 2k3s h THR 70 N 0.73 1.22 -0.82 -2.27 2.02 -1.20 -0.22 112.91 112.38 2k3s h THR 70 Ca 0.39 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2k3s h THR 70 Cb 0.39 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2k3s h THR 70 CO -0.26 0.24 0.40 0.00 0.37 0.00 0.00 175.52 176.26 2k3s h ALA 71 N 1.23 1.16 0.01 6.16 0.00 -1.21 -1.69 119.26 124.92 2k3s h ALA 71 Ca 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k3s h ALA 71 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2k3s h ALA 71 CO -0.05 0.64 -0.00 0.93 0.00 0.00 0.00 179.25 180.77 2k3s h GLU 72 N 1.16 -0.01 0.00 0.00 5.08 -0.80 0.12 114.58 120.13 2k3s h GLU 72 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2k3s h GLU 72 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k3s h GLU 72 CO -0.04 0.37 -0.04 0.87 -1.00 0.00 0.00 179.01 179.18 2k3s h LYS 73 N -0.40 0.00 0.00 2.33 1.57 -0.89 0.60 116.57 119.78 2k3s h LYS 73 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 2k3s h LYS 73 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 2k3s h LYS 73 CO 0.00 0.04 -2.45 1.28 -0.57 0.00 0.00 179.45 177.75 2k3s n LEU 74 N -3.39 1.95 0.00 2.94 4.77 -0.65 -4.81 117.00 117.81 2k3s n LEU 74 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2k3s n LEU 74 Cb 0.16 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2k3s n LEU 74 CO 0.25 0.58 0.25 0.00 -1.33 0.00 0.00 177.39 177.15 2k3s n ALA 75 N -4.06 1.31 -3.23 -1.18 0.00 0.17 -5.06 120.51 108.46 2k3s n ALA 75 Ca -0.50 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 2k3s n ALA 75 Cb 0.87 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.12 -6.82 -4.84 0.00 2.03 0.20 -4.93 116.55 102.06 2k3s n ASP 76 Ca 0.00 -0.10 -0.32 0.00 0.52 0.00 0.00 54.79 54.89 2k3s n ASP 76 Cb 0.27 -3.93 -0.03 0.00 -0.72 0.00 0.00 41.12 36.72 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 -2.68 3.63 -1.34 0.00 0.00 -1.26 -4.76 121.76 115.36 2k3s s ALA 78 Ca 0.59 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 2k3s s ALA 78 Cb -0.10 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2k3s s ALA 78 CO 0.34 -1.14 2.31 1.04 0.00 0.00 0.00 175.76 178.30 2k3s n GLN 79 N 6.08 2.73 0.00 0.00 6.02 -1.26 -4.57 117.38 126.38 2k3s n GLN 79 Ca 0.15 -2.32 0.15 0.00 -0.01 0.00 0.00 57.00 54.97 2k3s n GLN 79 Cb 0.42 -3.08 0.68 0.00 1.02 0.00 0.00 30.24 29.28 2k3s n GLN 79 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2k3s n LEU 80 N 5.73 0.60 -3.99 1.08 4.77 -1.26 -4.81 117.00 119.13 2k3s n LEU 80 Ca 0.56 -0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 2k3s n LEU 80 Cb 0.34 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 2k3s n LEU 80 CO 0.90 0.11 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.90 2k3s s LEU 81 N -2.24 2.05 -0.15 2.23 1.43 -1.26 -5.03 118.68 115.72 2k3s s LEU 81 Ca 0.36 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2k3s s LEU 81 Cb 0.21 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 46.11 2k3s s LEU 81 CO 0.41 0.03 0.05 -1.61 0.23 0.00 0.00 176.35 175.46 2k3s s GLU 82 N -0.39 3.68 0.08 1.70 2.02 -1.26 -5.03 118.70 119.50 2k3s s GLU 82 Ca 0.00 -0.34 -0.35 0.00 0.02 0.00 0.00 54.97 54.31 2k3s s GLU 82 Cb -0.04 -3.10 -0.17 0.00 0.10 0.00 0.00 34.13 30.92 2k3s s GLU 82 CO -0.00 0.43 1.54 0.28 0.02 0.00 0.00 175.26 177.53 2k3s h VAL 83 N 4.61 0.00 -0.97 2.63 2.07 -1.98 0.50 116.25 123.12 2k3s h VAL 83 Ca -0.42 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.16 2k3s h VAL 83 Cb 1.18 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2k3s h VAL 83 CO 0.65 0.00 0.62 -2.24 0.02 0.00 0.00 177.57 176.62 2k3s h ASP 84 N -1.03 1.01 -0.11 0.57 2.03 -1.95 -1.48 116.42 115.46 2k3s h ASP 84 Ca -0.07 0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2k3s h ASP 84 Cb 0.87 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.16 2k3s h ASP 84 CO -0.02 0.65 0.06 -0.78 -1.03 0.00 0.00 179.24 178.12 2k3s h ASP 85 N 1.15 0.13 -0.75 4.15 3.58 -1.92 -0.26 116.42 122.51 2k3s h ASP 85 Ca 0.41 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 2k3s h ASP 85 Cb 0.13 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2k3s h ASP 85 CO -0.16 0.16 0.32 0.24 -2.88 0.00 0.00 179.24 176.92 2k3s h MET 86 N 0.10 1.10 -0.48 0.28 2.86 -0.44 0.03 114.93 118.37 2k3s h MET 86 Ca 0.04 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 2k3s h MET 86 Cb 0.06 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2k3s h MET 86 CO -0.01 0.89 -0.06 0.28 1.06 0.00 0.00 176.91 179.07 2k3s h VAL 87 N 1.07 1.27 -0.40 -2.22 2.07 -1.10 0.27 116.25 117.20 2k3s h VAL 87 Ca 0.25 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 2k3s h VAL 87 Cb 0.18 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2k3s h VAL 87 CO -0.03 0.40 -0.15 0.03 0.02 0.00 0.00 177.57 177.85 2k3s h ARG 88 N 0.74 0.81 -0.08 1.57 3.08 -0.78 -3.14 114.38 116.58 2k3s h ARG 88 Ca 0.13 -0.33 -0.22 0.00 0.07 0.00 0.00 59.98 59.63 2k3s h ARG 88 Cb 0.59 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.61 2k3s h ARG 88 CO 0.04 0.96 -0.84 -0.07 -1.07 0.00 0.00 179.97 178.99 2k3s h LEU 89 N 0.62 0.72 0.00 3.04 3.38 -0.94 -3.47 115.31 118.66 2k3s h LEU 89 Ca 0.10 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k3s h LEU 89 Cb 0.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2k3s h LEU 89 CO 0.05 1.29 0.00 0.00 0.09 0.00 0.00 178.44 179.87 2k3s n ALA 90 N -2.57 0.00 -3.11 1.53 0.00 0.95 -4.84 120.51 112.47 2k3s n ALA 90 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2k3s n ALA 90 Cb 0.77 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 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 4.70 0.57 0.00 1.01 -1.26 -4.16 120.40 121.26 2k3s s VAL 91 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 2k3s s VAL 91 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2k3s s VAL 91 CO 0.00 -0.56 1.09 -2.84 0.00 0.00 0.00 175.10 172.79 2k3s s PRO 92 N 1.52 3.32 0.18 2.72 0.02 -1.26 -5.01 135.00 136.50 2k3s s PRO 92 Ca 0.04 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 2k3s s PRO 92 Cb -0.24 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.19 2k3s s PRO 92 CO 0.04 -0.83 0.97 0.34 -0.33 0.00 0.00 177.00 177.19 2k3s s ASP 93 N -2.26 7.53 0.34 2.53 2.15 -1.26 -4.44 116.67 121.26 2k3s s ASP 93 Ca 0.68 1.92 0.04 0.00 0.43 0.00 0.00 52.55 55.62 2k3s s ASP 93 Cb -0.19 -2.60 0.66 0.00 -0.30 0.00 0.00 42.92 40.49 2k3s s ASP 93 CO 0.31 0.02 1.96 -1.28 -0.17 0.00 0.00 175.17 176.00 2k3s h SER 94 N 4.79 0.74 0.05 -0.34 0.87 -1.95 -1.45 113.55 116.26 2k3s h SER 94 Ca -0.44 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.98 2k3s h SER 94 Cb 1.21 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2k3s h SER 94 CO 0.70 0.49 -0.56 0.50 -0.53 0.00 0.00 176.83 177.43 2k3s h LYS 95 N 0.85 0.29 -0.58 2.24 3.64 -1.92 -2.64 116.57 118.46 2k3s h LYS 95 Ca 0.32 -0.38 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2k3s h LYS 95 Cb 0.17 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2k3s h LYS 95 CO -0.10 1.11 0.32 0.00 -2.27 0.00 0.00 179.45 178.51 2k3s h VAL 97 N 0.62 1.25 -0.65 0.00 2.07 -1.37 -2.63 116.25 115.54 2k3s h VAL 97 Ca 0.25 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.87 2k3s h VAL 97 Cb 0.11 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2k3s h VAL 97 CO -0.14 0.31 0.37 0.22 0.02 0.00 0.00 177.57 178.35 2k3s h TYR 98 N 0.44 0.67 -0.79 1.57 3.20 -1.06 -1.21 116.97 119.79 2k3s h TYR 98 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2k3s h TYR 98 Cb 0.43 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 2k3s h TYR 98 CO 0.03 0.33 0.46 1.15 -1.64 0.00 0.00 178.16 178.50 2k3s h THR 99 N 0.69 1.23 -0.19 1.81 2.02 -0.93 0.20 112.91 117.74 2k3s h THR 99 Ca 0.29 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2k3s h THR 99 Cb 0.15 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2k3s h THR 99 CO -0.17 0.24 0.03 0.22 0.37 0.00 0.00 175.52 176.22 2k3s h TYR 100 N 1.09 0.33 -0.54 3.16 3.20 -1.03 -2.76 116.97 120.42 2k3s h TYR 100 Ca 0.28 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 2k3s h TYR 100 Cb -0.02 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2k3s h TYR 100 CO -0.00 0.46 0.02 0.82 -1.64 0.00 0.00 178.16 177.82 2k3s h ILE 101 N 0.10 1.25 0.23 1.81 1.08 -1.00 -2.15 117.51 118.84 2k3s h ILE 101 Ca 0.06 -1.04 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 2k3s h ILE 101 Cb 0.31 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2k3s h ILE 101 CO 0.00 0.37 -0.43 -0.61 -0.69 0.00 0.00 178.15 176.80 2k3s h GLN 102 N 0.84 -0.71 0.00 2.37 4.15 -0.44 -0.09 115.11 121.23 2k3s h GLN 102 Ca 0.16 0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 2k3s h GLN 102 Cb 0.47 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2k3s h GLN 102 CO 0.02 -0.47 -0.40 0.93 -1.93 0.00 0.00 178.83 176.98 2k3s h GLU 103 N -0.74 0.00 -0.05 1.69 4.39 -1.49 -2.46 114.58 115.93 2k3s h GLU 103 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2k3s h GLU 103 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2k3s h GLU 103 CO -0.18 0.40 -0.34 1.25 -1.16 0.00 0.00 179.01 178.98 2k3s h LEU 104 N 0.00 0.09 -0.92 1.33 5.85 -0.88 -2.47 115.31 118.31 2k3s h LEU 104 Ca -0.00 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2k3s h LEU 104 Cb 0.78 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2k3s h LEU 104 CO 0.05 0.43 -0.31 0.22 -0.34 0.00 0.00 178.44 178.50 2k3s h TYR 105 N 0.08 0.48 0.00 1.25 3.20 -0.53 -2.69 116.97 118.76 2k3s h TYR 105 Ca 0.01 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 2k3s h TYR 105 Cb 0.65 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2k3s h TYR 105 CO 0.00 0.69 -0.23 0.07 -1.64 0.00 0.00 178.16 177.05 2k3s h ARG 106 N 0.37 0.00 0.00 1.82 0.11 -1.39 -1.52 114.38 113.76 2k3s h ARG 106 Ca 0.05 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 2k3s h ARG 106 Cb 0.73 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.80 2k3s h ARG 106 CO 0.06 0.23 -0.13 0.77 0.10 0.00 0.00 179.97 181.00 2k3s h SER 107 N 0.00 0.00 0.29 0.08 0.02 -1.44 0.73 113.55 113.23 2k3s h SER 107 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2k3s h SER 107 Cb 0.42 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 2k3s h SER 107 CO 0.03 0.13 -1.56 -0.07 -1.14 0.00 0.00 176.83 174.22 2k3s h LEU 108 N 0.00 0.71 -0.40 5.07 3.38 -1.37 -3.18 115.31 119.53 2k3s h LEU 108 Ca -0.00 -0.85 -0.07 0.00 0.09 0.00 0.00 57.88 57.04 2k3s h LEU 108 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k3s h LEU 108 CO 0.02 1.69 -0.04 0.58 0.09 0.00 0.00 178.44 180.77 2k3s h VAL 109 N 0.12 1.27 -0.72 1.22 2.07 -0.98 0.13 116.25 119.36 2k3s h VAL 109 Ca -0.27 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.16 2k3s h VAL 109 Cb 2.12 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 2k3s h VAL 109 CO 0.23 0.37 0.47 -0.61 0.02 0.00 0.00 177.57 178.05 2k3s h GLN 110 N 0.55 0.95 -0.00 1.57 4.15 -0.99 -0.28 115.11 121.06 2k3s h GLN 110 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k3s h GLN 110 Cb 0.54 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2k3s h GLN 110 CO 0.03 0.63 -0.13 1.63 -1.93 0.00 0.00 178.83 179.06 2k3s n LYS 111 N -4.42 0.30 -1.86 1.69 4.76 -1.13 -4.91 118.16 112.59 2k3s n LYS 111 Ca 0.08 -0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 2k3s n LYS 111 Cb 0.04 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.72 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 1.39 0.34 0.24 0.72 0.00 -0.12 -4.91 105.19 102.85 2k3s n GLY 112 Ca 0.10 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.16 0.99 3.38 -1.00 -2.72 115.31 115.79 2k3s h LEU 113 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2k3s h LEU 113 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k3s h LEU 113 CO 0.21 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.26 2k3s n VAL 114 N -3.01 0.59 -0.22 1.22 0.31 -1.25 -2.81 118.33 113.15 2k3s n VAL 114 Ca 0.02 0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.35 2k3s n VAL 114 Cb 0.41 -0.80 0.17 0.00 -0.91 0.00 0.00 33.84 32.72 2k3s n VAL 114 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k3s n LYS 115 N -1.86 2.54 0.00 5.55 4.01 -1.03 -4.34 118.16 123.03 2k3s n LYS 115 Ca 0.05 -1.83 0.02 0.00 -0.51 0.00 0.00 58.31 56.04 2k3s n LYS 115 Cb 0.29 -1.83 0.11 0.00 -0.51 0.00 0.00 35.03 33.09 2k3s n LYS 115 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2k3s n THR 116 N -0.05 0.00 0.32 -0.18 5.66 -1.12 -2.71 114.28 116.20 2k3s n THR 116 Ca 0.26 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 2k3s n THR 116 Cb 1.01 -0.21 0.23 0.00 -1.55 0.00 0.00 70.33 69.80 2k3s n THR 116 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2k3s h LYS 117 N 0.00 0.00 -6.23 1.09 1.79 -1.89 -3.44 116.57 107.89 2k3s h LYS 117 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2k3s h LYS 117 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2k3s h LYS 117 CO 0.00 0.00 0.85 0.15 -1.08 0.00 0.00 179.45 179.37 2k3s s LYS 118 N -3.18 4.27 0.00 3.15 1.02 -1.10 -5.28 119.74 118.61 2k3s s LYS 118 Ca 0.08 1.75 0.04 0.00 0.02 0.00 0.00 55.97 57.86 2k3s s LYS 118 Cb 0.07 -3.70 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2k3s s LYS 118 CO 0.65 -0.63 0.63 1.63 -0.92 0.00 0.00 175.35 176.72