#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvc h SER 2 N 0.00 -0.75 -4.07 1.61 0.02 -2.04 -3.45 113.55 104.88 2kvc h SER 2 Ca 0.00 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2kvc h SER 2 Cb 0.00 0.23 -0.23 0.00 0.14 0.00 0.00 62.40 62.53 2kvc h SER 2 CO 0.00 -0.46 -0.20 -2.28 -1.14 0.00 0.00 176.83 172.75 2kvc s HIS 3 N -6.05 -0.45 0.23 3.45 2.46 -1.26 -5.06 115.29 108.61 2kvc s HIS 3 Ca -0.17 1.06 -0.07 0.00 0.47 0.00 0.00 55.06 56.35 2kvc s HIS 3 Cb 0.05 0.16 0.29 0.00 -0.13 0.00 0.00 32.58 32.96 2kvc s HIS 3 CO 0.63 -0.26 1.85 0.00 -2.47 0.00 0.00 174.74 174.49 2kvc h MET 4 N 5.17 0.92 -0.66 2.88 -0.00 -1.99 -0.20 114.93 121.05 2kvc h MET 4 Ca -0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2kvc h MET 4 Cb 1.18 -0.21 -0.03 0.00 -0.00 0.00 0.00 31.60 32.54 2kvc h MET 4 CO 0.26 0.61 0.43 -0.91 -0.00 0.00 0.00 176.91 177.29 2kvc h ASN 5 N 0.94 0.77 -0.33 -0.10 4.21 -1.99 0.12 115.58 119.21 2kvc h ASN 5 Ca 0.35 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.70 2kvc h ASN 5 Cb 0.12 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 2kvc h ASN 5 CO -0.16 0.57 -0.25 -0.09 -1.29 0.00 0.00 177.43 176.21 2kvc h ARG 6 N 0.90 0.83 -0.22 0.81 9.65 -1.77 -1.08 114.38 123.49 2kvc h ARG 6 Ca 0.24 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 2kvc h ARG 6 Cb -0.08 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 2kvc h ARG 6 CO -0.05 0.99 0.11 0.35 2.80 0.00 0.00 179.97 184.17 2kvc h PHE 7 N 0.71 0.32 -0.85 2.20 3.57 -0.57 0.48 116.94 122.81 2kvc h PHE 7 Ca 0.09 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2kvc h PHE 7 Cb 0.79 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2kvc h PHE 7 CO 0.04 0.31 0.56 -0.07 -2.23 0.00 0.00 178.31 176.93 2kvc h LEU 8 N 0.23 0.96 -1.06 0.59 3.38 -0.84 -0.14 115.31 118.43 2kvc h LEU 8 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kvc h LEU 8 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2kvc h LEU 8 CO -0.01 0.69 0.51 0.74 0.09 0.00 0.00 178.44 180.46 2kvc h THR 9 N 1.13 1.24 -0.55 0.22 2.02 -0.82 -0.69 112.91 115.46 2kvc h THR 9 Ca 0.32 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2kvc h THR 9 Cb -0.11 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.31 2kvc h THR 9 CO -0.08 0.25 0.07 0.28 0.37 0.00 0.00 175.52 176.41 2kvc h SER 10 N 1.18 0.85 -0.20 4.18 0.02 0.19 -1.18 113.55 118.59 2kvc h SER 10 Ca 0.31 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2kvc h SER 10 Cb -0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2kvc h SER 10 CO -0.06 0.87 0.09 0.40 -1.14 0.00 0.00 176.83 176.99 2kvc h ILE 11 N 0.84 1.15 -0.24 3.27 1.08 -0.24 0.05 117.51 123.42 2kvc h ILE 11 Ca 0.17 -0.46 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 2kvc h ILE 11 Cb 0.41 1.09 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 2kvc h ILE 11 CO 0.01 0.15 -0.17 0.58 -0.69 0.00 0.00 178.15 178.03 2kvc h VAL 12 N 0.18 0.52 -0.31 1.67 2.07 -0.84 0.23 116.25 119.76 2kvc h VAL 12 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2kvc h VAL 12 Cb 0.16 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2kvc h VAL 12 CO -0.01 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.65 2kvc h ALA 13 N 0.98 0.34 -0.14 1.67 0.00 -1.05 -1.31 119.26 119.75 2kvc h ALA 13 Ca 0.14 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2kvc h ALA 13 Cb 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2kvc h ALA 13 CO -0.34 -0.34 0.03 2.35 0.00 0.00 0.00 179.25 180.95 2kvc h TRP 14 N 0.19 0.05 -0.26 0.00 7.01 -0.34 0.28 115.95 122.87 2kvc h TRP 14 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2kvc h TRP 14 Cb 0.15 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2kvc h TRP 14 CO -0.17 0.02 0.16 -0.07 -2.79 0.00 0.00 178.44 175.59 2kvc h LEU 15 N 0.09 0.32 -0.62 0.65 3.38 -0.19 0.72 115.31 119.66 2kvc h LEU 15 Ca 0.06 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2kvc h LEU 15 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kvc h LEU 15 CO -0.08 0.28 -0.50 0.08 0.09 0.00 0.00 178.44 178.31 2kvc h ARG 16 N 0.33 0.49 0.00 1.13 0.11 -1.18 -2.70 114.38 112.57 2kvc h ARG 16 Ca 0.09 -0.29 -0.05 0.00 0.10 0.00 0.00 59.98 59.84 2kvc h ARG 16 Cb 0.02 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 2kvc h ARG 16 CO -0.02 0.88 -0.24 0.00 0.10 0.00 0.00 179.97 180.69 2kvc h ALA 17 N 1.07 1.48 0.00 0.08 0.00 -0.47 -1.59 119.26 119.82 2kvc h ALA 17 Ca 0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2kvc h ALA 17 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kvc h ALA 17 CO 0.09 0.30 -0.36 0.78 0.00 0.00 0.00 179.25 180.06 2kvc h GLY 18 N 0.85 0.00 -6.37 0.00 0.00 -0.53 -3.37 103.07 93.65 2kvc h GLY 18 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2kvc h GLY 18 CO 0.03 0.00 -0.94 -1.72 0.00 0.00 0.00 176.54 173.91 2kvc n TYR 19 N -3.72 -0.12 1.20 5.60 4.01 -0.62 -4.67 117.16 118.84 2kvc n TYR 19 Ca -0.01 -3.51 0.11 0.00 -0.16 0.00 0.00 57.90 54.33 2kvc n TYR 19 Cb 0.45 -0.00 0.61 0.00 -0.31 0.00 0.00 39.34 40.09 2kvc n TYR 19 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kvc n PRO 20 N 2.36 0.48 -0.07 -0.72 -0.04 -1.12 -2.00 135.00 133.88 2kvc n PRO 20 Ca 0.27 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 2kvc n PRO 20 Cb 0.47 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.56 2kvc n PRO 20 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kvc n GLU 21 N -1.17 1.97 0.00 0.54 0.28 -1.26 -5.08 120.64 115.92 2kvc n GLU 21 Ca 0.13 -1.86 0.00 0.00 -0.16 0.00 0.00 57.16 55.27 2kvc n GLU 21 Cb 0.14 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 31.61 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kvc n GLY 22 N 1.15 2.31 3.46 -1.84 0.00 -0.85 -4.96 105.19 104.47 2kvc n GLY 22 Ca 0.14 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 2kvc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kvc s ILE 23 N -2.87 5.20 0.60 -0.61 1.09 -1.26 -4.83 121.20 118.52 2kvc s ILE 23 Ca 0.00 -0.57 -0.19 0.00 -1.10 0.00 0.00 60.65 58.78 2kvc s ILE 23 Cb 0.00 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 2kvc s ILE 23 CO 0.00 -0.36 1.29 -2.84 -0.10 0.00 0.00 174.94 172.93 2kvc s PRO 24 N 1.84 2.82 0.19 2.79 0.02 -1.26 -4.00 135.00 137.40 2kvc s PRO 24 Ca 0.07 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 2kvc s PRO 24 Cb -0.19 -1.98 0.12 0.00 0.02 0.00 0.00 34.50 32.47 2kvc s PRO 24 CO 0.11 -1.38 1.81 -1.35 -0.33 0.00 0.00 177.00 175.85 2kvc h PRO 25 N 0.90 0.98 -0.35 5.54 0.11 -1.97 -1.71 132.00 135.50 2kvc h PRO 25 Ca -0.51 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.41 2kvc h PRO 25 Cb 1.32 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2kvc h PRO 25 CO 0.55 0.74 -0.06 1.15 -0.21 0.00 0.00 178.00 180.17 2kvc h THR 26 N 0.96 1.27 0.00 -1.15 2.02 -2.03 -2.81 112.91 111.17 2kvc h THR 26 Ca 0.24 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2kvc h THR 26 Cb 0.05 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2kvc h THR 26 CO -0.04 0.36 0.00 0.47 0.37 0.00 0.00 175.52 176.68 2kvc n ASP 27 N -4.44 0.48 -0.34 4.18 9.92 -1.11 -2.23 116.55 123.02 2kvc n ASP 27 Ca -0.02 0.60 -0.02 0.00 -0.53 0.00 0.00 54.79 54.82 2kvc n ASP 27 Cb 0.32 -0.71 0.13 0.00 -0.64 0.00 0.00 41.12 40.23 2kvc n ASP 27 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2kvc h SER 28 N 0.00 1.09 -0.12 -2.24 0.87 -1.04 0.13 113.55 112.25 2kvc h SER 28 Ca 0.00 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 2kvc h SER 28 Cb 0.39 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2kvc h SER 28 CO 0.00 0.81 -0.23 -0.26 -0.53 0.00 0.00 176.83 176.62 2kvc h PHE 29 N 1.28 0.61 -0.33 2.24 -1.00 -1.57 0.54 116.94 118.72 2kvc h PHE 29 Ca 0.34 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.96 2kvc h PHE 29 Cb -0.12 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 2kvc h PHE 29 CO 0.00 0.74 0.07 0.00 -1.61 0.00 0.00 178.31 177.51 2kvc h ALA 30 N 1.27 0.44 -0.61 2.45 0.00 -1.40 -0.58 119.26 120.82 2kvc h ALA 30 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kvc h ALA 30 Cb 0.66 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2kvc h ALA 30 CO 0.05 0.11 0.34 0.28 0.00 0.00 0.00 179.25 180.02 2kvc h VAL 31 N 0.38 0.99 -0.32 0.00 2.07 -0.46 -0.76 116.25 118.13 2kvc h VAL 31 Ca 0.10 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2kvc h VAL 31 Cb 0.31 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2kvc h VAL 31 CO 0.00 0.12 -0.02 0.25 0.02 0.00 0.00 177.57 177.94 2kvc h LEU 32 N 0.64 -0.18 -0.67 2.57 5.85 -0.54 0.36 115.31 123.34 2kvc h LEU 32 Ca 0.26 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 2kvc h LEU 32 Cb 0.13 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2kvc h LEU 32 CO -0.16 -0.05 0.20 0.00 -0.34 0.00 0.00 178.44 178.09 2kvc h ALA 33 N 1.29 0.88 0.07 1.25 0.00 -0.58 -0.83 119.26 121.36 2kvc h ALA 33 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kvc h ALA 33 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kvc h ALA 33 CO -0.28 0.56 -0.04 1.25 0.00 0.00 0.00 179.25 180.74 2kvc h LEU 34 N 0.98 -0.08 -1.18 0.00 5.85 -0.79 -3.31 115.31 116.77 2kvc h LEU 34 Ca 0.22 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 2kvc h LEU 34 Cb 0.31 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2kvc h LEU 34 CO -0.01 0.43 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.07 2kvc h LEU 35 N -0.63 0.00 -2.23 2.25 -0.00 -0.22 -1.59 115.31 112.89 2kvc h LEU 35 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2kvc h LEU 35 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2kvc h LEU 35 CO 0.02 0.38 0.15 0.00 -0.00 0.00 0.00 178.44 178.99 2kvc n ARG 37 N -3.96 1.18 0.00 0.00 1.74 -0.60 -4.01 116.66 111.02 2kvc n ARG 37 Ca 0.01 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2kvc n ARG 37 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2kvc n ARG 37 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kvc n ARG 38 N -0.53 0.00 -4.34 5.56 3.00 -0.23 -5.11 116.66 115.01 2kvc n ARG 38 Ca 0.20 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.86 2kvc n ARG 38 Cb 0.24 -0.88 -0.09 0.00 0.00 0.00 0.00 32.46 31.73 2kvc n ARG 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kvc s LEU 39 N -4.59 1.68 0.60 6.15 1.43 0.12 -5.13 118.68 118.94 2kvc s LEU 39 Ca 0.00 -1.52 0.03 0.00 -1.03 0.00 0.00 54.13 51.60 2kvc s LEU 39 Cb 0.00 0.14 0.07 0.00 0.03 0.00 0.00 46.19 46.43 2kvc s LEU 39 CO 0.00 -0.85 0.83 -0.55 0.23 0.00 0.00 176.35 176.01 2kvc s SER 40 N -3.37 4.95 0.52 2.29 0.15 -1.26 -4.01 113.70 112.98 2kvc s SER 40 Ca 0.36 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.89 2kvc s SER 40 Cb 0.06 -0.33 1.40 0.00 -1.71 0.00 0.00 66.02 65.43 2kvc s SER 40 CO 0.17 -1.39 2.13 1.12 1.20 0.00 0.00 173.24 176.46 2kvc h HIS 41 N -0.06 0.00 -0.05 3.44 2.07 -1.94 -1.31 115.15 117.29 2kvc h HIS 41 Ca -0.38 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.07 2kvc h HIS 41 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 2kvc h HIS 41 CO 0.18 0.06 -0.27 -0.44 -3.07 0.00 0.00 177.93 174.40 2kvc h ASP 42 N 0.00 0.32 -0.21 3.10 3.32 -1.98 -0.09 116.42 120.89 2kvc h ASP 42 Ca -0.00 -0.66 0.02 0.00 0.02 0.00 0.00 57.03 56.41 2kvc h ASP 42 Cb 0.12 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2kvc h ASP 42 CO 0.01 0.93 0.05 -0.33 -1.72 0.00 0.00 179.24 178.18 2kvc h GLU 43 N -0.26 0.13 -0.31 3.56 3.07 -1.79 0.11 114.58 119.09 2kvc h GLU 43 Ca -0.02 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 2kvc h GLU 43 Cb 0.93 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 2kvc h GLU 43 CO 0.05 0.09 -0.34 -0.39 -1.40 0.00 0.00 179.01 177.03 2kvc h VAL 44 N 0.14 1.28 -0.46 3.13 -1.51 -1.31 -1.14 116.25 116.38 2kvc h VAL 44 Ca 0.09 -1.48 -0.12 0.00 -1.23 0.00 0.00 66.70 63.96 2kvc h VAL 44 Cb 0.08 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2kvc h VAL 44 CO -0.11 0.48 -0.19 0.50 -1.23 0.00 0.00 177.57 177.01 2kvc h LYS 45 N 0.57 0.91 0.07 5.19 3.64 -0.77 -0.92 116.57 125.26 2kvc h LYS 45 Ca 0.06 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2kvc h LYS 45 Cb 0.85 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2kvc h LYS 45 CO 0.07 1.02 -0.03 0.00 -2.27 0.00 0.00 179.45 178.24 2kvc h ALA 46 N 0.98 -0.09 -0.59 5.00 0.00 -0.59 0.11 119.26 124.08 2kvc h ALA 46 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2kvc h ALA 46 Cb 0.74 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2kvc h ALA 46 CO 0.06 -0.42 0.07 -0.24 0.00 0.00 0.00 179.25 178.72 2kvc h VAL 47 N -0.37 1.25 -0.47 0.00 3.04 -1.19 -0.83 116.25 117.69 2kvc h VAL 47 Ca -0.01 -1.02 -0.11 0.00 -1.01 0.00 0.00 66.70 64.55 2kvc h VAL 47 Cb 0.32 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2kvc h VAL 47 CO 0.02 0.37 -0.14 0.00 -1.01 0.00 0.00 177.57 176.81 2kvc h ALA 48 N 1.15 0.85 -0.07 3.17 0.00 -1.16 -0.36 119.26 122.84 2kvc h ALA 48 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kvc h ALA 48 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kvc h ALA 48 CO 0.02 0.65 0.04 -0.97 0.00 0.00 0.00 179.25 178.98 2kvc h ASN 49 N 0.80 0.07 0.68 0.00 -1.24 -0.39 -0.30 115.58 115.19 2kvc h ASN 49 Ca 0.12 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.98 2kvc h ASN 49 Cb 0.68 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 2kvc h ASN 49 CO 0.05 0.05 -0.72 1.05 -1.29 0.00 0.00 177.43 176.57 2kvc h GLU 50 N 0.09 0.03 -0.14 6.67 4.11 -1.10 -1.19 114.58 123.05 2kvc h GLU 50 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2kvc h GLU 50 Cb -0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2kvc h GLU 50 CO -0.02 0.74 0.05 1.25 0.07 0.00 0.00 179.01 181.11 2kvc h LEU 51 N 0.02 0.21 -1.05 3.06 7.12 -0.88 0.11 115.31 123.91 2kvc h LEU 51 Ca -0.01 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 2kvc h LEU 51 Cb 1.28 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.32 2kvc h LEU 51 CO 0.10 0.34 0.51 0.24 -0.13 0.00 0.00 178.44 179.49 2kvc h MET 52 N 0.06 1.16 -0.08 1.25 2.86 -0.94 0.44 114.93 119.68 2kvc h MET 52 Ca 0.05 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2kvc h MET 52 Cb 0.21 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2kvc h MET 52 CO -0.00 0.82 -0.28 -0.09 1.06 0.00 0.00 176.91 178.42 2kvc h ARG 53 N 1.18 0.34 0.05 1.72 2.43 -0.90 -3.34 114.38 115.86 2kvc h ARG 53 Ca 0.31 -0.25 -0.27 0.00 -0.81 0.00 0.00 59.98 58.95 2kvc h ARG 53 Cb -0.04 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2kvc h ARG 53 CO -0.06 0.88 -1.41 -0.07 -1.51 0.00 0.00 179.97 177.80 2kvc h LEU 54 N -0.13 0.17 0.00 3.80 4.07 -0.76 -3.48 115.31 118.97 2kvc h LEU 54 Ca -0.01 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2kvc h LEU 54 Cb 0.91 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2kvc h LEU 54 CO 0.06 1.20 0.00 0.61 -1.08 0.00 0.00 178.44 179.23 2kvc n GLY 55 N 1.54 5.07 3.74 0.83 0.00 0.14 -5.08 105.19 111.43 2kvc n GLY 55 Ca -0.12 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 2kvc n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kvc s ASP 56 N 1.00 5.10 0.20 1.61 1.01 -1.26 -4.71 116.67 119.62 2kvc s ASP 56 Ca 0.00 -0.38 -0.23 0.00 0.71 0.00 0.00 52.55 52.65 2kvc s ASP 56 Cb 0.00 -1.18 0.05 0.00 1.01 0.00 0.00 42.92 42.80 2kvc s ASP 56 CO 0.00 0.01 0.80 0.12 0.21 0.00 0.00 175.17 176.31 2kvc s PHE 57 N -2.07 -0.23 0.64 4.23 2.19 -1.26 -4.75 117.98 116.74 2kvc s PHE 57 Ca 0.31 -0.12 -0.14 0.00 0.33 0.00 0.00 56.93 57.31 2kvc s PHE 57 Cb -0.08 0.65 -0.01 0.00 -1.31 0.00 0.00 43.02 42.27 2kvc s PHE 57 CO 0.22 -1.00 1.06 0.34 1.83 0.00 0.00 175.22 177.68 2kvc s ASP 58 N -2.87 5.55 -1.29 6.13 -1.08 -1.26 -4.92 116.67 116.92 2kvc s ASP 58 Ca 0.10 1.75 -0.17 0.00 -0.52 0.00 0.00 52.55 53.71 2kvc s ASP 58 Cb -0.03 -2.52 0.09 0.00 -1.46 0.00 0.00 42.92 39.00 2kvc s ASP 58 CO 0.02 -1.33 1.72 1.67 0.52 0.00 0.00 175.17 177.77 2kvc n GLN 59 N -2.51 3.22 -4.14 4.34 -0.06 -1.26 -4.87 117.38 112.09 2kvc n GLN 59 Ca 0.08 -3.34 -0.14 0.00 -2.00 0.00 0.00 57.00 51.60 2kvc n GLN 59 Cb 0.53 -3.38 -0.07 0.00 -4.06 0.00 0.00 30.24 23.26 2kvc n GLN 59 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 2kvc s ILE 60 N 3.56 0.00 -0.16 1.69 -4.36 -1.26 -5.09 121.20 115.58 2kvc s ILE 60 Ca 0.51 -1.76 -0.04 0.00 -0.26 0.00 0.00 60.65 59.11 2kvc s ILE 60 Cb 0.04 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 2kvc s ILE 60 CO 0.05 0.00 -0.03 -0.62 0.24 0.00 0.00 174.94 174.58 2kvc s ASP 61 N -3.19 4.78 0.02 4.36 2.15 -1.26 -5.00 116.67 118.52 2kvc s ASP 61 Ca 0.33 -0.15 -0.13 0.00 0.43 0.00 0.00 52.55 53.04 2kvc s ASP 61 Cb 0.02 -1.79 -0.34 0.00 -0.30 0.00 0.00 42.92 40.52 2kvc s ASP 61 CO 0.17 0.15 0.95 0.40 -0.17 0.00 0.00 175.17 176.66 2kvc h ILE 62 N 5.20 1.24 -0.24 4.11 1.08 -1.98 -3.32 117.51 123.60 2kvc h ILE 62 Ca -0.32 -2.72 0.05 0.00 -0.39 0.00 0.00 64.86 61.48 2kvc h ILE 62 Cb 1.19 2.97 -0.05 0.00 -3.07 0.00 0.00 36.82 37.86 2kvc h ILE 62 CO 0.62 0.83 -0.06 1.23 -0.69 0.00 0.00 178.15 180.08 2kvc h GLY 63 N 0.53 0.17 1.28 5.37 0.00 -1.94 -0.65 103.07 107.83 2kvc h GLY 63 Ca -0.26 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.20 2kvc h GLY 63 CO 0.24 -0.10 0.38 -0.24 0.00 0.00 0.00 176.54 176.83 2kvc h VAL 64 N -0.01 1.05 0.01 4.60 3.04 -1.95 -0.51 116.25 122.48 2kvc h VAL 64 Ca 0.12 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2kvc h VAL 64 Cb 0.19 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2kvc h VAL 64 CO -0.26 0.12 -0.00 0.58 -1.01 0.00 0.00 177.57 177.00 2kvc h VAL 65 N 0.64 1.48 0.00 1.51 2.07 -1.41 -2.43 116.25 118.11 2kvc h VAL 65 Ca 0.24 -1.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 2kvc h VAL 65 Cb 0.15 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2kvc h VAL 65 CO -0.07 0.38 -0.63 0.16 0.02 0.00 0.00 177.57 177.44 2kvc h ILE 66 N -0.66 1.06 0.00 4.57 3.07 -0.91 -3.19 117.51 121.45 2kvc h ILE 66 Ca -0.00 -2.50 0.00 0.00 1.55 0.00 0.00 64.86 63.91 2kvc h ILE 66 Cb 0.64 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 2kvc h ILE 66 CO 0.00 0.60 -1.43 0.35 -1.05 0.00 0.00 178.15 176.63 2kvc n THR 67 N -3.25 0.34 -3.67 0.16 -2.24 -0.22 -4.66 114.28 100.73 2kvc n THR 67 Ca 0.01 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 2kvc n THR 67 Cb 0.78 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.73 2kvc n THR 67 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2kvc s HIS 68 N -3.42 2.00 0.57 4.78 2.46 -0.91 -5.07 115.29 115.69 2kvc s HIS 68 Ca -0.03 -2.51 -0.21 0.00 0.47 0.00 0.00 55.06 52.78 2kvc s HIS 68 Cb 0.12 -1.78 -0.04 0.00 -0.13 0.00 0.00 32.58 30.75 2kvc s HIS 68 CO 0.84 -0.75 1.31 1.19 -2.47 0.00 0.00 174.74 174.86 2kvc n PHE 69 N 3.17 2.11 -3.26 3.88 3.01 -1.24 -4.51 117.46 120.62 2kvc n PHE 69 Ca 0.15 0.43 -0.20 0.00 1.01 0.00 0.00 57.45 58.85 2kvc n PHE 69 Cb 0.37 -2.33 0.01 0.00 -0.01 0.00 0.00 39.48 37.52 2kvc n PHE 69 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kvc s THR 70 N -1.32 2.60 -0.16 4.37 2.01 -1.16 -5.07 115.64 116.91 2kvc s THR 70 Ca 0.74 -1.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.38 2kvc s THR 70 Cb -0.41 -2.75 -0.18 0.00 0.01 0.00 0.00 72.50 69.17 2kvc s THR 70 CO 0.47 0.00 0.38 0.44 -0.69 0.00 0.00 174.62 175.22 2kvc h ASP 71 N 0.67 0.00 -0.22 3.53 3.32 -1.96 -3.40 116.42 118.37 2kvc h ASP 71 Ca -0.38 -0.60 -0.12 0.00 0.02 0.00 0.00 57.03 55.95 2kvc h ASP 71 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 2kvc h ASP 71 CO 0.49 1.08 -0.32 -0.33 -1.72 0.00 0.00 179.24 178.44 2kvc h GLU 72 N -1.00 0.60 -5.70 3.56 3.07 -2.05 -3.43 114.58 109.63 2kvc h GLU 72 Ca -0.12 -0.36 -0.66 0.00 -0.50 0.00 0.00 59.36 57.72 2kvc h GLU 72 Cb 0.93 0.03 -0.14 0.00 -0.84 0.00 0.00 28.75 28.73 2kvc h GLU 72 CO -0.07 0.97 -0.59 -0.51 -1.40 0.00 0.00 179.01 177.41 2kvc s LEU 73 N -8.89 3.76 0.53 1.33 2.01 -1.26 -3.87 118.68 112.28 2kvc s LEU 73 Ca -0.13 0.17 -0.00 0.00 0.01 0.00 0.00 54.13 54.18 2kvc s LEU 73 Cb 0.07 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.40 2kvc s LEU 73 CO 0.82 0.32 0.76 -2.16 1.01 0.00 0.00 176.35 177.10 2kvc s PRO 74 N -0.53 2.74 0.12 1.29 0.04 -1.26 -3.00 135.00 134.39 2kvc s PRO 74 Ca 0.10 -0.59 0.04 0.00 0.04 0.00 0.00 61.00 60.59 2kvc s PRO 74 Cb -0.12 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 2kvc s PRO 74 CO 0.02 -0.58 0.12 -1.12 0.04 0.00 0.00 177.00 175.48 2kvc s SER 75 N -4.35 5.62 0.56 6.66 0.01 -1.25 -5.00 113.70 115.96 2kvc s SER 75 Ca 0.54 -0.03 0.25 0.00 1.31 0.00 0.00 55.95 58.02 2kvc s SER 75 Cb -0.10 -1.52 1.53 0.00 0.21 0.00 0.00 66.02 66.14 2kvc s SER 75 CO 0.39 0.12 2.10 1.55 0.41 0.00 0.00 173.24 177.81 2kvc h PRO 76 N 2.83 0.00 -0.27 12.44 0.13 -1.98 -0.31 132.00 144.83 2kvc h PRO 76 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kvc h PRO 76 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kvc h PRO 76 CO 0.65 0.00 0.15 1.49 -0.23 0.00 0.00 178.00 180.06 2kvc h GLU 77 N 0.00 0.37 -0.31 0.86 4.57 -1.99 0.71 114.58 118.80 2kvc h GLU 77 Ca 0.10 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2kvc h GLU 77 Cb 0.45 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2kvc h GLU 77 CO -0.00 0.32 0.09 -0.44 -1.18 0.00 0.00 179.01 177.80 2kvc h ASP 78 N 0.32 0.46 -0.96 1.04 3.32 -1.50 -1.10 116.42 117.99 2kvc h ASP 78 Ca 0.09 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.95 2kvc h ASP 78 Cb 0.06 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 2kvc h ASP 78 CO -0.02 0.55 0.63 0.58 -1.72 0.00 0.00 179.24 179.27 2kvc h VAL 79 N 0.34 1.22 -0.58 -1.35 2.07 -1.07 0.72 116.25 117.58 2kvc h VAL 79 Ca 0.10 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2kvc h VAL 79 Cb 0.26 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 2kvc h VAL 79 CO -0.00 0.23 0.08 -0.08 0.02 0.00 0.00 177.57 177.82 2kvc h GLU 80 N 1.27 0.98 0.30 1.57 4.81 -0.63 -0.23 114.58 122.65 2kvc h GLU 80 Ca 0.36 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2kvc h GLU 80 Cb -0.09 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2kvc h GLU 80 CO -0.09 0.93 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.88 2kvc h ARG 81 N 0.87 -0.39 -0.26 1.92 2.43 -0.36 -1.22 114.38 117.37 2kvc h ARG 81 Ca 0.18 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2kvc h ARG 81 Cb 0.44 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2kvc h ARG 81 CO 0.01 -0.21 -0.08 -0.24 -1.51 0.00 0.00 179.97 177.94 2kvc h VAL 82 N -0.48 1.20 0.12 0.20 3.04 -0.85 -0.13 116.25 119.35 2kvc h VAL 82 Ca -0.04 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.79 2kvc h VAL 82 Cb 0.36 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2kvc h VAL 82 CO 0.07 0.28 -0.06 -0.09 -1.01 0.00 0.00 177.57 176.76 2kvc h ARG 83 N 0.40 -0.16 -0.27 4.17 2.43 -0.82 0.53 114.38 120.66 2kvc h ARG 83 Ca 0.08 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2kvc h ARG 83 Cb 0.39 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2kvc h ARG 83 CO 0.02 -0.06 -0.11 0.00 -1.51 0.00 0.00 179.97 178.30 2kvc h ALA 84 N 0.66 1.30 -0.33 2.80 0.00 -0.86 0.78 119.26 123.59 2kvc h ALA 84 Ca -0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2kvc h ALA 84 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kvc h ALA 84 CO 0.03 0.47 -0.19 -0.09 0.00 0.00 0.00 179.25 179.47 2kvc h ARG 85 N 0.43 0.72 0.15 0.00 9.65 -0.73 -3.18 114.38 121.42 2kvc h ARG 85 Ca 0.08 -0.33 -0.29 0.00 -1.10 0.00 0.00 59.98 58.35 2kvc h ARG 85 Cb 0.46 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2kvc h ARG 85 CO 0.03 0.93 -1.30 -0.07 2.80 0.00 0.00 179.97 182.35 2kvc h LEU 86 N 0.49 0.51 -2.22 3.80 -0.00 -0.72 -3.31 115.31 113.86 2kvc h LEU 86 Ca 0.07 -0.55 -0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2kvc h LEU 86 Cb 0.73 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2kvc h LEU 86 CO 0.05 1.43 -0.02 0.00 -0.00 0.00 0.00 178.44 179.90 2kvc h ALA 87 N 0.49 1.67 0.00 1.53 0.00 -0.89 -1.21 119.26 120.85 2kvc h ALA 87 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kvc h ALA 87 Cb 2.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 2kvc h ALA 87 CO 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.39 2kvc h ALA 88 N 1.98 1.67 -0.36 0.00 0.00 -1.63 -1.74 119.26 119.17 2kvc h ALA 88 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kvc h ALA 88 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kvc h ALA 88 CO 0.00 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.42 2kvc n GLN 89 N -4.18 2.32 0.00 0.00 3.00 -0.47 -5.05 117.38 112.99 2kvc n GLN 89 Ca -0.03 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 2kvc n GLN 89 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 28.99 2kvc n GLN 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kvc n GLY 90 N 1.20 3.51 2.64 1.08 0.00 -0.65 -5.01 105.19 107.95 2kvc n GLY 90 Ca 0.16 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 2kvc n GLY 90 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kvc s TRP 91 N -2.44 -0.02 -0.39 1.61 -0.11 -1.26 -3.82 118.94 112.50 2kvc s TRP 91 Ca 0.00 -0.64 0.02 0.00 1.22 0.00 0.00 56.10 56.71 2kvc s TRP 91 Cb 0.00 -0.69 0.49 0.00 -1.50 0.00 0.00 33.47 31.77 2kvc s TRP 91 CO 0.00 -0.88 1.79 -0.35 -4.62 0.00 0.00 176.95 172.89 2kvc n PRO 92 N 5.13 2.05 -0.22 5.86 -0.04 -1.26 -4.36 135.00 142.16 2kvc n PRO 92 Ca -0.02 -2.41 0.11 0.00 -0.04 0.00 0.00 63.50 61.14 2kvc n PRO 92 Cb 0.44 -1.94 0.26 0.00 -0.04 0.00 0.00 33.50 32.21 2kvc n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kvc n LEU 93 N -0.71 3.23 -4.36 1.53 4.32 -1.26 -4.86 117.00 114.89 2kvc n LEU 93 Ca 0.48 -1.46 -0.30 0.00 -0.02 0.00 0.00 56.01 54.71 2kvc n LEU 93 Cb 1.26 -0.29 -0.14 0.00 -1.62 0.00 0.00 43.42 42.63 2kvc n LEU 93 CO 0.51 0.73 -0.57 1.51 -1.22 0.00 0.00 177.39 178.35 2kvc s ASP 94 N -1.35 3.23 0.60 -1.43 -4.77 -1.26 -5.05 116.67 106.64 2kvc s ASP 94 Ca 0.39 -0.64 0.10 0.00 -3.30 0.00 0.00 52.55 49.10 2kvc s ASP 94 Cb 0.22 -0.27 0.10 0.00 -1.09 0.00 0.00 42.92 41.88 2kvc s ASP 94 CO 0.30 0.23 0.81 -1.81 0.70 0.00 0.00 175.17 175.40 2kvc s ASP 95 N -1.53 4.99 -0.42 2.11 1.01 -1.26 -5.01 116.67 116.56 2kvc s ASP 95 Ca 0.13 -0.94 -0.28 0.00 0.71 0.00 0.00 52.55 52.17 2kvc s ASP 95 Cb -0.10 0.46 -0.02 0.00 1.01 0.00 0.00 42.92 44.27 2kvc s ASP 95 CO 0.03 -1.43 1.84 -0.69 0.21 0.00 0.00 175.17 175.14 2kvc s VAL 96 N -2.72 3.42 -0.07 -1.27 1.01 -1.26 -4.97 120.40 114.53 2kvc s VAL 96 Ca 0.61 0.39 0.03 0.00 0.00 0.00 0.00 61.98 63.01 2kvc s VAL 96 Cb -0.05 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2kvc s VAL 96 CO 0.39 -0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 174.67 2kvc s ARG 97 N 6.17 2.77 0.29 2.72 1.81 -1.26 -5.11 118.95 126.34 2kvc s ARG 97 Ca 0.77 -0.72 -0.29 0.00 -1.72 0.00 0.00 55.73 53.77 2kvc s ARG 97 Cb -0.19 -2.43 -0.10 0.00 -0.45 0.00 0.00 34.95 31.78 2kvc s ARG 97 CO 0.30 0.47 1.26 -0.51 -0.68 0.00 0.00 175.30 176.14 2kvc s ASP 98 N -0.34 6.92 -0.26 0.23 1.01 -1.26 -5.01 116.67 117.95 2kvc s ASP 98 Ca 0.03 2.52 -0.02 0.00 0.71 0.00 0.00 52.55 55.79 2kvc s ASP 98 Cb -0.13 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.32 2kvc s ASP 98 CO 0.02 -0.44 0.45 -0.60 0.21 0.00 0.00 175.17 174.81 2kvc s ARG 99 N -1.29 0.42 -0.47 8.23 3.52 -1.26 -5.11 118.95 122.99 2kvc s ARG 99 Ca 0.50 0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 56.69 2kvc s ARG 99 Cb -0.37 -0.16 0.12 0.00 -1.56 0.00 0.00 34.95 32.98 2kvc s ARG 99 CO 0.46 -0.67 0.30 -1.83 -0.81 0.00 0.00 175.30 172.75 2kvc s GLU 100 N 2.64 2.28 -0.52 5.12 -1.05 -1.26 -5.01 118.70 120.90 2kvc s GLU 100 Ca 0.15 -1.93 -0.01 0.00 -0.15 0.00 0.00 54.97 53.03 2kvc s GLU 100 Cb -0.15 -3.73 0.14 0.00 -0.44 0.00 0.00 34.13 29.94 2kvc s GLU 100 CO -0.19 -1.13 0.30 -1.21 0.95 0.00 0.00 175.26 173.98 2kvc s GLU 101 N 0.99 2.19 -0.02 -4.83 2.02 -1.26 -5.07 118.70 112.72 2kvc s GLU 101 Ca 0.09 -2.31 -0.30 0.00 0.02 0.00 0.00 54.97 52.47 2kvc s GLU 101 Cb -0.23 -3.55 -0.07 0.00 0.10 0.00 0.00 34.13 30.38 2kvc s GLU 101 CO -0.03 -1.11 1.70 -3.38 0.02 0.00 0.00 175.26 172.46 2kvc s HIS 102 N 0.28 1.95 0.00 1.61 -3.43 -1.26 -5.37 115.29 109.08 2kvc s HIS 102 Ca 0.14 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.52 2kvc s HIS 102 Cb -0.22 -3.98 0.00 0.00 -1.43 0.00 0.00 32.58 26.96 2kvc s HIS 102 CO -0.03 -4.12 0.00 0.00 -2.00 0.00 0.00 174.74 168.59