#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgr s PRO 2 N 0.00 3.97 -0.29 0.52 0.02 -1.26 -3.99 135.00 133.97 2kgr s PRO 2 Ca 0.00 2.14 -0.05 0.00 0.02 0.00 0.00 61.00 63.11 2kgr s PRO 2 Cb 0.00 -4.08 0.01 0.00 0.02 0.00 0.00 34.50 30.45 2kgr s PRO 2 CO 0.00 -1.11 0.20 0.28 -0.33 0.00 0.00 177.00 176.03 2kgr n VAL 3 N 5.96-10.01 -2.09 3.83 0.31 -1.26 -4.96 118.33 110.12 2kgr n VAL 3 Ca 0.20 1.22 -0.32 0.00 -0.01 0.00 0.00 64.34 65.42 2kgr n VAL 3 Cb 0.43 -6.55 0.03 0.00 -0.91 0.00 0.00 33.84 26.83 2kgr n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kgr n ALA 4 N 0.21 5.73 -1.79 3.52 0.00 -1.26 -5.04 120.51 121.88 2kgr n ALA 4 Ca 0.04 -4.08 -0.36 0.00 0.00 0.00 0.00 53.44 49.04 2kgr n ALA 4 Cb 0.15 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2kgr n ALA 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kgr s GLU 5 N -3.77 4.41 -0.19 0.00 0.41 -1.26 -4.97 118.70 113.33 2kgr s GLU 5 Ca 0.52 1.30 -0.29 0.00 -0.41 0.00 0.00 54.97 56.09 2kgr s GLU 5 Cb 0.43 -2.58 -0.01 0.00 -1.78 0.00 0.00 34.13 30.19 2kgr s GLU 5 CO -0.22 0.11 1.22 -0.46 -0.49 0.00 0.00 175.26 175.43 2kgr s TRP 6 N -1.78 2.93 -1.03 1.61 -0.00 -1.26 -4.76 118.94 114.65 2kgr s TRP 6 Ca 0.55 1.09 -0.07 0.00 -0.00 0.00 0.00 56.10 57.66 2kgr s TRP 6 Cb -0.17 -3.50 -0.10 0.00 -0.00 0.00 0.00 33.47 29.71 2kgr s TRP 6 CO 0.21 -1.46 2.64 0.00 -0.00 0.00 0.00 176.95 178.35 2kgr n ALA 7 N 6.66 6.01 -3.64 5.86 0.00 0.13 -4.74 120.51 130.78 2kgr n ALA 7 Ca 0.14 -2.52 -0.22 0.00 0.00 0.00 0.00 53.44 50.83 2kgr n ALA 7 Cb 0.45 -3.02 -0.17 0.00 0.00 0.00 0.00 19.45 16.72 2kgr n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kgr s VAL 8 N 2.50 0.72 0.42 0.00 0.11 -1.26 -4.83 120.40 118.05 2kgr s VAL 8 Ca 0.55 -0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 59.15 2kgr s VAL 8 Cb 0.16 -0.74 -0.10 0.00 -1.53 0.00 0.00 36.38 34.18 2kgr s VAL 8 CO -0.04 0.28 1.25 -2.65 -3.33 0.00 0.00 175.10 170.61 2kgr n PRO 9 N 4.26 1.87 -0.11 1.54 -0.02 -1.26 -4.75 135.00 136.52 2kgr n PRO 9 Ca -0.20 0.66 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 2kgr n PRO 9 Cb 0.51 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2kgr n PRO 9 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kgr h GLN 10 N 2.03 0.18 -0.62 -0.52 5.75 -1.98 0.27 115.11 120.22 2kgr h GLN 10 Ca -0.47 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.07 2kgr h GLN 10 Cb 1.30 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.77 2kgr h GLN 10 CO 0.60 0.12 0.41 0.77 -2.65 0.00 0.00 178.83 178.07 2kgr h SER 11 N 0.18 0.55 -0.01 -0.69 0.02 -1.99 0.79 113.55 112.40 2kgr h SER 11 Ca 0.17 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 2kgr h SER 11 Cb 0.21 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.64 2kgr h SER 11 CO -0.24 0.36 -0.49 -1.28 -1.14 0.00 0.00 176.83 174.04 2kgr h SER 12 N 0.63 0.45 0.41 3.07 0.87 -1.53 -2.78 113.55 114.65 2kgr h SER 12 Ca 0.26 -0.75 -0.14 0.00 -1.23 0.00 0.00 61.79 59.93 2kgr h SER 12 Cb 0.25 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2kgr h SER 12 CO -0.08 1.14 -0.61 0.08 -0.53 0.00 0.00 176.83 176.83 2kgr h ARG 13 N -0.21 0.20 -0.71 2.24 0.11 -0.08 -1.85 114.38 114.09 2kgr h ARG 13 Ca -0.06 -0.14 -0.05 0.00 0.10 0.00 0.00 59.98 59.83 2kgr h ARG 13 Cb 1.21 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 32.28 2kgr h ARG 13 CO 0.10 0.75 0.23 -0.07 0.10 0.00 0.00 179.97 181.08 2kgr h LEU 14 N 0.15 1.02 -0.79 0.08 3.38 -0.95 -0.36 115.31 117.83 2kgr h LEU 14 Ca -0.01 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2kgr h LEU 14 Cb 1.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2kgr h LEU 14 CO 0.09 0.94 0.09 0.50 0.09 0.00 0.00 178.44 180.15 2kgr h LYS 15 N 1.05 1.00 0.00 1.13 3.64 -1.11 -2.39 116.57 119.90 2kgr h LYS 15 Ca 0.23 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2kgr h LYS 15 Cb 0.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kgr h LYS 15 CO -0.01 0.93 -1.11 0.66 -2.27 0.00 0.00 179.45 177.66 2kgr n TYR 16 N -4.22 0.70 0.20 1.91 4.01 -0.75 -3.14 117.16 115.86 2kgr n TYR 16 Ca 0.04 0.20 0.07 0.00 -0.16 0.00 0.00 57.90 58.05 2kgr n TYR 16 Cb 0.29 -0.79 0.40 0.00 -0.31 0.00 0.00 39.34 38.92 2kgr n TYR 16 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2kgr h ARG 17 N 0.00 0.00 0.00 -0.72 2.43 -0.99 0.47 114.38 115.56 2kgr h ARG 17 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kgr h ARG 17 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2kgr h ARG 17 CO 0.00 0.32 0.00 1.96 -1.51 0.00 0.00 179.97 180.74 2kgr h GLN 18 N 0.00 0.00 0.00 0.20 4.20 -1.37 0.46 115.11 118.60 2kgr h GLN 18 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2kgr h GLN 18 Cb 0.80 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.44 2kgr h GLN 18 CO 0.04 0.00 -0.25 -0.11 -0.67 0.00 0.00 178.83 177.84 2kgr n LEU 19 N -2.45 -1.40 0.00 1.46 7.94 -1.02 0.43 117.00 121.96 2kgr n LEU 19 Ca 0.02 -3.05 0.00 0.00 -1.11 0.00 0.00 56.01 51.87 2kgr n LEU 19 Cb 0.27 0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2kgr n LEU 19 CO 0.22 1.68 0.16 0.33 -1.11 0.00 0.00 177.39 178.67 2kgr n PHE 20 N -1.31 0.00 -0.28 1.96 7.35 0.16 -4.91 117.46 120.44 2kgr n PHE 20 Ca -0.15 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.64 2kgr n PHE 20 Cb 0.84 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.92 2kgr n PHE 20 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2kgr h ASN 21 N 0.00 0.13 0.23 -2.13 -1.24 0.26 0.54 115.58 113.38 2kgr h ASN 21 Ca 0.00 0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 2kgr h ASN 21 Cb 0.00 0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 2kgr h ASN 21 CO 0.00 -0.04 -0.06 -1.28 -1.29 0.00 0.00 177.43 174.76 2kgr h SER 22 N 0.31 0.00 -0.00 1.15 0.87 -0.28 0.35 113.55 115.95 2kgr h SER 22 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2kgr h SER 22 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2kgr h SER 22 CO -0.54 0.06 -0.02 1.41 -0.53 0.00 0.00 176.83 177.20 2kgr n HIS 23 N -3.58 0.00 -3.39 2.24 8.25 0.19 -4.86 115.22 114.07 2kgr n HIS 23 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 2kgr n HIS 23 Cb 0.17 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 2kgr n HIS 23 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kgr s ASP 24 N -2.03 6.80 0.00 0.41 2.15 0.11 -4.90 116.67 119.21 2kgr s ASP 24 Ca 0.35 0.96 0.00 0.00 0.43 0.00 0.00 52.55 54.28 2kgr s ASP 24 Cb 0.21 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 2kgr s ASP 24 CO 0.34 0.19 0.39 2.29 -0.17 0.00 0.00 175.17 178.21 2kgr n LYS 25 N 2.54 0.00 -1.80 4.34 2.85 -1.26 -5.00 118.16 119.82 2kgr n LYS 25 Ca -0.11 -0.05 -0.03 0.00 -1.05 0.00 0.00 58.31 57.08 2kgr n LYS 25 Cb 0.52 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 2kgr n LYS 25 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2kgr n THR 26 N 0.00 0.00 -2.51 0.58 5.66 -1.26 -5.07 114.28 111.68 2kgr n THR 26 Ca 0.00 -0.29 -0.43 0.00 -3.05 0.00 0.00 64.05 60.28 2kgr n THR 26 Cb 0.51 0.26 0.01 0.00 -1.55 0.00 0.00 70.33 69.55 2kgr n THR 26 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kgr n MET 27 N -0.14 3.82 -3.36 1.09 2.81 -1.26 -4.80 117.12 115.28 2kgr n MET 27 Ca -0.02 -3.78 -0.15 0.00 -1.81 0.00 0.00 57.70 51.94 2kgr n MET 27 Cb 0.15 -2.83 -0.08 0.00 -0.71 0.00 0.00 33.22 29.75 2kgr n MET 27 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2kgr s SER 28 N 0.28 1.18 0.00 7.83 0.15 -1.26 -5.01 113.70 116.87 2kgr s SER 28 Ca 0.38 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 2kgr s SER 28 Cb 0.08 0.68 -0.07 0.00 -1.71 0.00 0.00 66.02 65.01 2kgr s SER 28 CO 0.03 -0.34 2.24 0.61 1.20 0.00 0.00 173.24 176.98 2kgr n GLY 29 N 4.99 2.46 3.60 9.45 0.00 -1.26 -4.72 105.19 119.71 2kgr n GLY 29 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2kgr n GLY 29 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kgr s HIS 30 N 0.44 -0.25 0.10 1.61 0.00 -1.26 -4.17 115.29 111.76 2kgr s HIS 30 Ca 0.17 0.44 -0.00 0.00 -3.00 0.00 0.00 55.06 52.66 2kgr s HIS 30 Cb 0.08 0.47 -0.04 0.00 -4.00 0.00 0.00 32.58 29.08 2kgr s HIS 30 CO 0.00 -0.23 0.27 -0.51 -1.00 0.00 0.00 174.74 173.26 2kgr s LEU 31 N -1.07 4.33 0.71 5.38 1.43 0.17 -4.93 118.68 124.70 2kgr s LEU 31 Ca 0.02 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2kgr s LEU 31 Cb -0.01 -3.03 0.09 0.00 0.03 0.00 0.00 46.19 43.28 2kgr s LEU 31 CO -0.02 0.11 0.99 0.42 0.23 0.00 0.00 176.35 178.09 2kgr s THR 32 N -1.61 2.28 0.06 5.49 -4.23 -1.26 -0.24 115.64 116.13 2kgr s THR 32 Ca 0.36 -0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.26 2kgr s THR 32 Cb -0.12 -2.84 -0.07 0.00 1.34 0.00 0.00 72.50 70.81 2kgr s THR 32 CO 0.28 0.00 1.28 1.23 -0.54 0.00 0.00 174.62 176.87 2kgr h GLY 33 N -0.56 -1.28 0.58 3.99 0.00 -1.19 0.79 103.07 105.41 2kgr h GLY 33 Ca -0.41 0.64 0.07 0.00 0.00 0.00 0.00 47.33 47.63 2kgr h GLY 33 CO 0.49 -0.38 0.25 -2.55 0.00 0.00 0.00 176.54 174.34 2kgr h PRO 34 N -0.33 0.45 -0.57 4.80 0.11 -1.95 0.45 132.00 134.96 2kgr h PRO 34 Ca 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2kgr h PRO 34 Cb 0.36 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2kgr h PRO 34 CO -0.19 0.30 0.30 1.96 -0.21 0.00 0.00 178.00 180.16 2kgr h GLN 35 N 0.46 0.80 -0.20 1.05 4.20 -1.89 0.20 115.11 119.73 2kgr h GLN 35 Ca 0.26 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2kgr h GLN 35 Cb 0.24 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2kgr h GLN 35 CO -0.22 0.62 0.02 0.00 -0.67 0.00 0.00 178.83 178.58 2kgr h ALA 36 N 1.13 0.26 -0.26 3.87 0.00 -0.50 -2.89 119.26 120.88 2kgr h ALA 36 Ca 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kgr h ALA 36 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kgr h ALA 36 CO -0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 2kgr h ARG 37 N 0.12 0.42 -0.43 0.00 3.08 -0.54 0.02 114.38 117.04 2kgr h ARG 37 Ca 0.06 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2kgr h ARG 37 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2kgr h ARG 37 CO 0.01 0.49 -0.08 1.15 -1.07 0.00 0.00 179.97 180.47 2kgr h THR 38 N 0.40 1.25 -0.10 2.04 2.02 -0.56 0.76 112.91 118.72 2kgr h THR 38 Ca 0.08 -1.10 -0.20 0.00 0.77 0.00 0.00 66.41 65.97 2kgr h THR 38 Cb 0.36 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2kgr h THR 38 CO 0.02 0.38 -0.75 0.40 0.37 0.00 0.00 175.52 175.93 2kgr h ILE 39 N 0.68 1.35 -0.51 3.11 2.04 -1.16 -3.20 117.51 119.81 2kgr h ILE 39 Ca 0.12 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 63.87 2kgr h ILE 39 Cb 0.53 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2kgr h ILE 39 CO 0.03 0.64 0.26 -0.07 0.00 0.00 0.00 178.15 179.01 2kgr h LEU 40 N 0.36 0.67 -1.50 1.44 3.38 -0.59 -2.51 115.31 116.56 2kgr h LEU 40 Ca -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kgr h LEU 40 Cb 1.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kgr h LEU 40 CO 0.14 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.27 2kgr h MET 41 N 0.69 0.00 0.00 1.13 -0.00 -0.89 -1.86 114.93 114.00 2kgr h MET 41 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 2kgr h MET 41 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 2kgr h MET 41 CO -0.02 0.00 0.00 1.04 -0.00 0.00 0.00 176.91 177.93 2kgr n GLN 42 N -2.70 0.17 0.06 -0.10 6.02 -0.94 -0.32 117.38 119.57 2kgr n GLN 42 Ca 0.00 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.63 2kgr n GLN 42 Cb 0.20 -1.90 0.40 0.00 1.02 0.00 0.00 30.24 29.96 2kgr n GLN 42 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kgr n SER 43 N -2.23 0.58 -2.06 1.08 2.88 -0.70 -4.93 113.62 108.23 2kgr n SER 43 Ca 0.01 0.41 -0.18 0.00 -1.33 0.00 0.00 58.87 57.77 2kgr n SER 43 Cb 0.15 -0.46 -0.01 0.00 -0.75 0.00 0.00 64.21 63.14 2kgr n SER 43 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kgr n SER 44 N -2.00 -5.20 -4.86 -3.46 7.64 0.56 -4.99 113.62 101.31 2kgr n SER 44 Ca 0.05 -0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.58 2kgr n SER 44 Cb 0.40 -4.26 -0.05 0.00 -1.01 0.00 0.00 64.21 59.29 2kgr n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kgr s LEU 45 N -5.14 4.08 0.34 -3.43 1.43 -1.26 -5.03 118.68 109.67 2kgr s LEU 45 Ca 0.02 1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.97 2kgr s LEU 45 Cb -0.01 -3.92 -0.13 0.00 0.03 0.00 0.00 46.19 42.17 2kgr s LEU 45 CO 0.02 -0.18 1.10 -2.65 0.23 0.00 0.00 176.35 174.88 2kgr n PRO 46 N -0.40 1.61 -0.22 1.29 -0.02 -1.26 -4.73 135.00 131.27 2kgr n PRO 46 Ca 0.02 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 2kgr n PRO 46 Cb 0.53 -2.05 0.31 0.00 -0.02 0.00 0.00 33.50 32.26 2kgr n PRO 46 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kgr h GLN 47 N 2.05 0.84 -0.58 -0.52 4.15 -1.98 0.12 115.11 119.19 2kgr h GLN 47 Ca -0.43 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 58.97 2kgr h GLN 47 Cb 1.32 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 2kgr h GLN 47 CO 0.60 0.56 0.35 0.00 -1.93 0.00 0.00 178.83 178.40 2kgr h ALA 48 N 1.57 0.76 -0.41 3.38 0.00 -1.99 0.29 119.26 122.86 2kgr h ALA 48 Ca 0.33 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2kgr h ALA 48 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kgr h ALA 48 CO -0.11 0.07 -0.32 1.96 0.00 0.00 0.00 179.25 180.85 2kgr h GLN 49 N 0.68 0.93 -0.26 0.00 1.08 -1.56 -1.62 115.11 114.37 2kgr h GLN 49 Ca 0.24 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2kgr h GLN 49 Cb 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2kgr h GLN 49 CO -0.11 1.12 0.11 -0.07 -0.95 0.00 0.00 178.83 178.92 2kgr h LEU 50 N 0.76 0.15 -0.83 1.46 3.38 -0.26 0.14 115.31 120.11 2kgr h LEU 50 Ca 0.08 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2kgr h LEU 50 Cb 0.90 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2kgr h LEU 50 CO 0.08 0.12 0.11 0.00 0.09 0.00 0.00 178.44 178.84 2kgr h ALA 51 N 1.15 1.04 -0.43 1.53 0.00 -0.40 0.70 119.26 122.84 2kgr h ALA 51 Ca 0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2kgr h ALA 51 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2kgr h ALA 51 CO -0.09 0.62 -0.08 1.03 0.00 0.00 0.00 179.25 180.72 2kgr h SER 52 N 0.94 0.82 -0.55 0.00 0.87 -0.84 0.68 113.55 115.46 2kgr h SER 52 Ca 0.19 -0.35 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 2kgr h SER 52 Cb 0.39 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2kgr h SER 52 CO 0.01 0.98 0.05 0.40 -0.53 0.00 0.00 176.83 177.74 2kgr h ILE 53 N 0.65 1.26 -0.17 2.23 2.04 -0.53 -0.62 117.51 122.36 2kgr h ILE 53 Ca 0.11 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2kgr h ILE 53 Cb 0.61 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2kgr h ILE 53 CO 0.04 0.37 -0.04 -0.25 0.00 0.00 0.00 178.15 178.27 2kgr h TRP 54 N 0.81 -0.09 -0.45 1.37 2.91 -0.66 0.15 115.95 120.00 2kgr h TRP 54 Ca 0.16 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 2kgr h TRP 54 Cb 0.47 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 2kgr h TRP 54 CO 0.03 -0.07 0.23 -0.97 -1.03 0.00 0.00 178.44 176.63 2kgr h ASN 55 N 0.00 0.54 0.54 2.65 -0.73 -0.63 0.17 115.58 118.12 2kgr h ASN 55 Ca 0.08 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 58.05 2kgr h ASN 55 Cb 0.12 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2kgr h ASN 55 CO -0.17 0.46 -0.71 -0.07 -0.37 0.00 0.00 177.43 176.57 2kgr h LEU 56 N 0.62 0.17 0.00 0.34 3.38 -0.51 -3.22 115.31 116.09 2kgr h LEU 56 Ca 0.16 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2kgr h LEU 56 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2kgr h LEU 56 CO -0.02 0.82 -1.03 -1.28 0.09 0.00 0.00 178.44 177.02 2kgr h SER 57 N 0.10 0.00 -3.46 -0.43 0.87 -0.15 -3.46 113.55 107.02 2kgr h SER 57 Ca -0.02 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.01 2kgr h SER 57 Cb 1.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 2kgr h SER 57 CO 0.10 0.57 0.12 -0.62 -0.53 0.00 0.00 176.83 176.47 2kgr s ASP 58 N -6.10 7.27 0.00 6.23 2.15 0.51 -4.95 116.67 121.78 2kgr s ASP 58 Ca 0.00 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.50 2kgr s ASP 58 Cb 0.08 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2kgr s ASP 58 CO 0.79 0.21 0.00 -0.38 -0.17 0.00 0.00 175.17 175.61 2kgr n ILE 59 N 1.51 0.00 -1.62 4.11 5.41 -1.26 -4.88 119.36 122.63 2kgr n ILE 59 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2kgr n ILE 59 Cb 0.49 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 2kgr n ILE 59 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2kgr n ASP 60 N -1.61 0.00 -3.46 4.38 2.03 -1.26 -5.04 116.55 111.59 2kgr n ASP 60 Ca 0.00 -0.81 -0.27 0.00 0.52 0.00 0.00 54.79 54.23 2kgr n ASP 60 Cb 0.34 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.64 2kgr n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kgr n GLN 61 N 0.00 0.47 0.22 -0.67 10.64 -1.26 -4.97 117.38 121.81 2kgr n GLN 61 Ca 0.00 -3.38 0.15 0.00 -1.83 0.00 0.00 57.00 51.94 2kgr n GLN 61 Cb 0.32 -1.74 0.77 0.00 -0.86 0.00 0.00 30.24 28.72 2kgr n GLN 61 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2kgr h ASP 62 N 5.50 0.00 0.00 2.61 3.58 -1.97 -2.15 116.42 123.99 2kgr h ASP 62 Ca 0.24 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 2kgr h ASP 62 Cb 0.88 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.84 2kgr h ASP 62 CO 0.43 0.00 -0.51 0.61 -2.88 0.00 0.00 179.24 176.89 2kgr n GLY 63 N -1.03 3.20 2.96 -0.78 0.00 -1.26 -4.91 105.19 103.37 2kgr n GLY 63 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2kgr n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgr s LYS 64 N -1.75 0.11 -0.20 1.61 1.02 -0.81 -0.57 119.74 119.14 2kgr s LYS 64 Ca 0.28 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.45 2kgr s LYS 64 Cb 0.28 0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.65 2kgr s LYS 64 CO -0.06 -0.04 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.75 2kgr s LEU 65 N 0.25 2.18 0.00 3.17 1.43 0.67 -4.81 118.68 121.56 2kgr s LEU 65 Ca -0.02 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 2kgr s LEU 65 Cb -0.03 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.10 2kgr s LEU 65 CO -0.01 -0.19 0.13 0.35 0.23 0.00 0.00 176.35 176.86 2kgr n THR 66 N 4.74 0.00 -0.12 5.49 -2.24 -1.26 0.43 114.28 121.31 2kgr n THR 66 Ca -0.13 -0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2kgr n THR 66 Cb 0.46 -1.69 0.06 0.00 -2.10 0.00 0.00 70.33 67.05 2kgr n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kgr h ALA 67 N -2.01 0.82 -0.48 6.98 0.00 -1.97 0.18 119.26 122.78 2kgr h ALA 67 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2kgr h ALA 67 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kgr h ALA 67 CO 0.03 0.65 0.15 0.93 0.00 0.00 0.00 179.25 181.01 2kgr h GLU 68 N 0.77 0.73 -0.17 0.00 3.07 -1.93 -1.77 114.58 115.29 2kgr h GLU 68 Ca 0.11 -0.15 -0.19 0.00 -0.50 0.00 0.00 59.36 58.62 2kgr h GLU 68 Cb 0.73 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2kgr h GLU 68 CO 0.06 0.69 -0.66 0.93 -1.40 0.00 0.00 179.01 178.62 2kgr h GLU 69 N 0.63 0.66 -0.39 2.33 3.07 -1.86 -2.59 114.58 116.44 2kgr h GLU 69 Ca 0.15 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2kgr h GLU 69 Cb 0.26 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2kgr h GLU 69 CO -0.01 1.10 0.20 0.35 -1.40 0.00 0.00 179.01 179.25 2kgr h PHE 70 N 0.47 0.54 -0.63 4.33 3.04 -0.54 0.33 116.94 124.49 2kgr h PHE 70 Ca -0.02 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.93 2kgr h PHE 70 Cb 1.26 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.56 2kgr h PHE 70 CO 0.06 0.44 0.41 0.82 -2.02 0.00 0.00 178.31 178.02 2kgr h ILE 71 N 0.49 1.13 -0.01 1.41 2.04 -1.31 0.39 117.51 121.65 2kgr h ILE 71 Ca 0.13 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2kgr h ILE 71 Cb 0.09 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2kgr h ILE 71 CO -0.02 0.15 0.00 0.25 0.00 0.00 0.00 178.15 178.53 2kgr h LEU 72 N 0.82 0.01 0.03 1.44 5.85 -1.04 0.21 115.31 122.63 2kgr h LEU 72 Ca 0.24 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2kgr h LEU 72 Cb -0.05 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2kgr h LEU 72 CO -0.07 0.09 -0.16 0.00 -0.34 0.00 0.00 178.44 177.95 2kgr h ALA 73 N 0.92 -0.22 0.00 1.25 0.00 0.04 -0.36 119.26 120.89 2kgr h ALA 73 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kgr h ALA 73 Cb 0.08 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kgr h ALA 73 CO -0.00 -0.67 0.00 0.52 0.00 0.00 0.00 179.25 179.10 2kgr h MET 74 N -0.29 0.00 -0.25 0.00 2.86 -0.92 0.25 114.93 116.58 2kgr h MET 74 Ca 0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 2kgr h MET 74 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2kgr h MET 74 CO -0.13 0.00 -0.40 1.25 1.06 0.00 0.00 176.91 178.69 2kgr h HIS 75 N 0.00 0.70 -0.16 -0.22 6.17 -0.30 0.12 115.15 121.46 2kgr h HIS 75 Ca 0.00 -0.20 -0.21 0.00 0.71 0.00 0.00 60.37 60.67 2kgr h HIS 75 Cb 0.68 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.46 2kgr h HIS 75 CO 0.00 0.90 -0.72 -0.07 0.71 0.00 0.00 177.93 178.74 2kgr h LEU 76 N 0.49 0.84 -0.52 0.26 3.38 -0.14 -2.84 115.31 116.78 2kgr h LEU 76 Ca 0.04 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.54 2kgr h LEU 76 Cb 0.90 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2kgr h LEU 76 CO 0.08 1.32 0.24 0.40 0.09 0.00 0.00 178.44 180.57 2kgr h ILE 77 N 0.50 0.90 -0.68 1.22 1.08 -0.36 0.22 117.51 120.39 2kgr h ILE 77 Ca -0.04 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.30 2kgr h ILE 77 Cb 1.34 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2kgr h ILE 77 CO 0.15 0.08 0.45 -0.78 -0.69 0.00 0.00 178.15 177.36 2kgr h ASP 78 N 0.46 0.73 -0.02 1.72 3.58 -0.70 0.30 116.42 122.48 2kgr h ASP 78 Ca 0.24 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.61 2kgr h ASP 78 Cb 0.20 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2kgr h ASP 78 CO -0.20 0.51 -0.27 0.58 -2.88 0.00 0.00 179.24 176.98 2kgr h VAL 79 N 0.85 1.49 -0.44 2.25 2.07 -1.14 -3.28 116.25 118.06 2kgr h VAL 79 Ca 0.26 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 2kgr h VAL 79 Cb 0.01 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2kgr h VAL 79 CO -0.07 0.51 0.15 0.00 0.02 0.00 0.00 177.57 178.18 2kgr h ALA 80 N 0.33 1.44 0.00 1.67 0.00 -0.12 -0.29 119.26 122.28 2kgr h ALA 80 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kgr h ALA 80 Cb 0.98 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kgr h ALA 80 CO 0.06 0.42 0.00 -1.33 0.00 0.00 0.00 179.25 178.40 2kgr n MET 81 N -4.34 0.07 -0.31 0.00 2.00 1.00 -0.86 117.12 114.67 2kgr n MET 81 Ca 0.03 0.45 0.07 0.00 0.00 0.00 0.00 57.70 58.25 2kgr n MET 81 Cb 0.17 -1.67 0.22 0.00 0.00 0.00 0.00 33.22 31.94 2kgr n MET 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2kgr n SER 82 N -1.80 2.84 -0.13 7.83 2.88 -0.12 -4.88 113.62 120.24 2kgr n SER 82 Ca 0.01 -2.12 -0.02 0.00 -1.33 0.00 0.00 58.87 55.41 2kgr n SER 82 Cb 0.09 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.16 2kgr n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kgr n GLY 83 N 1.08 0.53 3.80 0.46 0.00 -0.04 -5.01 105.19 106.01 2kgr n GLY 83 Ca 0.16 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2kgr n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kgr s GLN 84 N -1.36 4.41 0.55 1.61 -1.52 -1.22 -5.06 119.66 117.07 2kgr s GLN 84 Ca 0.00 1.23 -0.17 0.00 -1.95 0.00 0.00 55.36 54.47 2kgr s GLN 84 Cb 0.00 -2.50 -0.06 0.00 -0.22 0.00 0.00 33.01 30.23 2kgr s GLN 84 CO 0.00 0.13 1.03 -2.14 -0.25 0.00 0.00 175.29 174.06 2kgr s PRO 85 N -2.60 3.60 -0.06 2.91 0.02 -1.26 -4.65 135.00 132.97 2kgr s PRO 85 Ca 0.56 1.14 -0.04 0.00 0.02 0.00 0.00 61.00 62.68 2kgr s PRO 85 Cb -0.14 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2kgr s PRO 85 CO 0.19 -0.57 0.15 -0.51 -0.33 0.00 0.00 177.00 175.92 2kgr s LEU 86 N -4.21 4.31 0.50 -5.54 1.43 -1.26 -4.99 118.68 108.92 2kgr s LEU 86 Ca 0.62 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.96 2kgr s LEU 86 Cb -0.14 -2.32 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 2kgr s LEU 86 CO 0.32 0.33 0.94 -2.16 0.23 0.00 0.00 176.35 176.02 2kgr s PRO 87 N -1.48 3.86 0.15 1.29 0.05 -1.26 -5.00 135.00 132.61 2kgr s PRO 87 Ca 0.21 0.81 -0.15 0.00 0.05 0.00 0.00 61.00 61.92 2kgr s PRO 87 Cb -0.12 -2.19 0.03 0.00 0.05 0.00 0.00 34.50 32.26 2kgr s PRO 87 CO 0.11 -0.25 1.72 -1.00 0.05 0.00 0.00 177.00 177.63 2kgr h PRO 88 N 0.83 0.68 -6.43 0.56 0.13 -2.01 -3.44 132.00 122.33 2kgr h PRO 88 Ca -0.47 -0.11 -0.62 0.00 -0.87 0.00 0.00 66.00 63.93 2kgr h PRO 88 Cb 1.19 -0.12 -0.18 0.00 0.13 0.00 0.00 31.00 32.02 2kgr h PRO 88 CO 0.62 0.59 -0.81 0.08 -0.23 0.00 0.00 178.00 178.25 2kgr s VAL 89 N -5.66 2.25 0.01 1.56 1.01 -1.26 -5.00 120.40 113.32 2kgr s VAL 89 Ca -0.13 -2.05 -0.08 0.00 0.00 0.00 0.00 61.98 59.72 2kgr s VAL 89 Cb 0.11 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2kgr s VAL 89 CO 0.76 -0.19 0.29 -0.22 0.00 0.00 0.00 175.10 175.74 2kgr s LEU 90 N -2.76 4.38 0.71 3.92 2.96 -1.26 -5.08 118.68 121.55 2kgr s LEU 90 Ca 0.21 0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 54.58 2kgr s LEU 90 Cb -0.07 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.98 2kgr s LEU 90 CO 0.10 0.26 1.21 -2.65 -1.32 0.00 0.00 176.35 173.95 2kgr n PRO 91 N 1.21 0.70 -0.23 0.98 -0.02 -1.26 -4.94 135.00 131.44 2kgr n PRO 91 Ca -0.12 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.59 2kgr n PRO 91 Cb 0.53 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2kgr n PRO 91 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2kgr h PRO 92 N -0.08 1.06 0.00 0.52 0.11 -1.98 -2.36 132.00 129.28 2kgr h PRO 92 Ca -0.49 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.35 2kgr h PRO 92 Cb 1.33 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kgr h PRO 92 CO 0.50 0.97 0.00 0.39 -0.21 0.00 0.00 178.00 179.64 2kgr n GLU 93 N -4.27 0.20 0.11 1.05 4.71 -1.26 -0.89 120.64 120.30 2kgr n GLU 93 Ca 0.04 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.74 2kgr n GLU 93 Cb 0.27 -1.89 0.27 0.00 -1.01 0.00 0.00 31.44 29.08 2kgr n GLU 93 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 2kgr h TYR 94 N 0.00 0.00 -3.28 -0.32 -1.99 -1.72 0.36 116.97 110.02 2kgr h TYR 94 Ca 0.00 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.14 2kgr h TYR 94 Cb 0.37 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.02 2kgr h TYR 94 CO 0.00 0.00 0.58 0.42 -0.00 0.00 0.00 178.16 179.16 2kgr s ILE 95 N -3.16 4.75 0.71 -2.88 1.01 -0.07 -4.80 121.20 116.76 2kgr s ILE 95 Ca 0.08 1.61 -0.16 0.00 0.00 0.00 0.00 60.65 62.18 2kgr s ILE 95 Cb 0.11 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.40 2kgr s ILE 95 CO 0.66 -0.19 1.22 -2.16 0.00 0.00 0.00 174.94 174.46 2kgr s PRO 96 N 3.06 2.23 0.81 2.79 0.04 -1.26 -4.87 135.00 137.81 2kgr s PRO 96 Ca 0.38 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 2kgr s PRO 96 Cb -0.14 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.64 2kgr s PRO 96 CO 0.09 -1.77 1.18 -2.14 0.04 0.00 0.00 177.00 174.40 2kgr s PRO 97 N -3.81 1.64 0.00 0.56 0.02 -1.26 -3.11 135.00 129.04 2kgr s PRO 97 Ca 0.76 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2kgr s PRO 97 Cb -0.30 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2kgr s PRO 97 CO 0.44 -2.19 0.00 0.43 -0.33 0.00 0.00 177.00 175.35 2kgr n SER 98 N -3.42 0.00 0.00 2.53 7.64 -1.26 -4.48 113.62 114.63 2kgr n SER 98 Ca 0.13 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.12 2kgr n SER 98 Cb 0.51 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 64.24 2kgr n SER 98 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2kgr n PHE 99 N 0.00 0.00 0.49 1.43 3.72 -1.19 -1.78 117.46 120.13 2kgr n PHE 99 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 2kgr n PHE 99 Cb 0.00 -0.44 0.44 0.00 -0.94 0.00 0.00 39.48 38.54 2kgr n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kgr h ARG 100 N 0.00 0.00 -4.53 -1.08 3.08 -1.76 -3.41 114.38 106.68 2kgr h ARG 100 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 2kgr h ARG 100 Cb 0.35 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.20 2kgr h ARG 100 CO 0.00 0.00 0.20 1.03 -1.07 0.00 0.00 179.97 180.13 2kgr s ARG 101 N -3.23 3.23 -0.59 0.04 1.81 -0.73 -4.93 118.95 114.54 2kgr s ARG 101 Ca 0.07 -1.63 0.06 0.00 -1.72 0.00 0.00 55.73 52.51 2kgr s ARG 101 Cb 0.10 -4.40 0.25 0.00 -0.45 0.00 0.00 34.95 30.45 2kgr s ARG 101 CO 0.51 -1.52 0.70 0.28 -0.68 0.00 0.00 175.30 174.60 2kgr n VAL 102 N 5.22 1.76 -3.86 3.52 0.31 -1.26 -4.96 118.33 119.05 2kgr n VAL 102 Ca -0.00 -4.98 -0.30 0.00 -0.01 0.00 0.00 64.34 59.05 2kgr n VAL 102 Cb 0.44 -2.07 0.01 0.00 -0.91 0.00 0.00 33.84 31.30 2kgr n VAL 102 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kgr n ARG 103 N 0.98 -1.20 -3.94 5.55 1.74 -1.26 -4.93 116.66 113.60 2kgr n ARG 103 Ca 0.28 0.59 -0.31 0.00 -0.77 0.00 0.00 57.85 57.64 2kgr n ARG 103 Cb 0.43 -2.39 -0.15 0.00 -1.02 0.00 0.00 32.46 29.33 2kgr n ARG 103 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kgr s LEU 104 N -5.61 4.03 0.46 0.55 0.20 -1.26 -4.81 118.68 112.23 2kgr s LEU 104 Ca 0.13 -2.02 0.00 0.00 0.69 0.00 0.00 54.13 52.93 2kgr s LEU 104 Cb -0.07 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.28 2kgr s LEU 104 CO 0.91 -0.39 0.00 1.21 -0.29 0.00 0.00 176.35 177.80 2kgr n GLU 105 N 4.40 0.00 -3.41 1.98 0.00 -1.26 -5.07 120.64 117.27 2kgr n GLU 105 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.74 2kgr n GLU 105 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.78 2kgr n GLU 105 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2kgr s HIS 106 N -2.00 3.26 -0.24 4.31 3.76 -1.26 -4.88 115.29 118.24 2kgr s HIS 106 Ca 0.00 -1.05 0.14 0.00 -0.15 0.00 0.00 55.06 54.00 2kgr s HIS 106 Cb 0.00 -3.20 0.79 0.00 1.11 0.00 0.00 32.58 31.29 2kgr s HIS 106 CO 0.00 -0.82 1.73 0.72 -0.85 0.00 0.00 174.74 175.52 2kgr n HIS 107 N 5.16 2.03 -2.19 1.40 8.25 -1.26 -4.97 115.22 123.64 2kgr n HIS 107 Ca -0.12 -0.79 -0.00 0.00 -0.26 0.00 0.00 57.72 56.55 2kgr n HIS 107 Cb 0.43 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2kgr n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kgr n HIS 108 N 0.45 -2.24 -4.01 4.41 8.25 -1.26 -5.03 115.22 115.79 2kgr n HIS 108 Ca 0.29 0.99 -0.31 0.00 -0.26 0.00 0.00 57.72 58.42 2kgr n HIS 108 Cb 1.20 -2.92 -0.15 0.00 1.12 0.00 0.00 29.99 29.24 2kgr n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kgr s HIS 109 N -0.98 3.59 -0.05 4.41 5.04 -1.26 -5.08 115.29 120.96 2kgr s HIS 109 Ca 0.01 -2.86 -0.30 0.00 -1.54 0.00 0.00 55.06 50.37 2kgr s HIS 109 Cb -0.00 -2.75 -0.04 0.00 0.04 0.00 0.00 32.58 29.83 2kgr s HIS 109 CO 0.44 -0.94 1.42 -1.58 -2.34 0.00 0.00 174.74 171.74 2kgr s HIS 110 N 0.97 2.68 0.00 3.88 2.46 -1.26 -5.23 115.29 118.79 2kgr s HIS 110 Ca 0.09 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.36 2kgr s HIS 110 Cb -0.19 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 2kgr s HIS 110 CO -0.09 -2.54 0.00 1.58 -2.47 0.00 0.00 174.74 171.23