#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvc s SER 2 N 0.00 5.57 -0.12 1.61 0.01 -1.26 -5.09 113.70 114.42 2kvc s SER 2 Ca 0.00 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.39 2kvc s SER 2 Cb 0.00 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.37 2kvc s SER 2 CO 0.00 0.24 -0.17 -1.00 0.41 0.00 0.00 173.24 172.72 2kvc s HIS 3 N -0.00 2.16 0.09 2.43 3.76 -1.26 -5.04 115.29 117.43 2kvc s HIS 3 Ca 0.05 -1.05 -0.14 0.00 -0.15 0.00 0.00 55.06 53.77 2kvc s HIS 3 Cb -0.12 -1.53 -0.14 0.00 1.11 0.00 0.00 32.58 31.89 2kvc s HIS 3 CO 0.01 -0.53 1.32 0.52 -0.85 0.00 0.00 174.74 175.21 2kvc h MET 4 N 7.46 0.75 -0.48 1.40 2.86 -2.02 -3.24 114.93 121.66 2kvc h MET 4 Ca -0.32 -0.55 -0.07 0.00 -2.06 0.00 0.00 59.70 56.70 2kvc h MET 4 Cb 1.17 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 2kvc h MET 4 CO 0.51 1.17 0.02 -0.97 1.06 0.00 0.00 176.91 178.71 2kvc h ASN 5 N 0.46 0.74 -0.44 1.22 -0.73 -2.01 -2.45 115.58 112.39 2kvc h ASN 5 Ca -0.02 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 57.98 2kvc h ASN 5 Cb 1.24 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.61 2kvc h ASN 5 CO 0.13 0.80 0.29 -0.09 -0.37 0.00 0.00 177.43 178.19 2kvc h ARG 6 N 0.73 0.57 -0.18 6.67 2.43 -2.00 -1.73 114.38 120.87 2kvc h ARG 6 Ca 0.15 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2kvc h ARG 6 Cb 0.41 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2kvc h ARG 6 CO 0.01 0.38 0.10 0.35 -1.51 0.00 0.00 179.97 179.31 2kvc h PHE 7 N 0.59 0.20 -0.75 2.20 3.57 -1.50 -0.64 116.94 120.61 2kvc h PHE 7 Ca 0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2kvc h PHE 7 Cb -0.07 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2kvc h PHE 7 CO -0.00 0.12 0.41 -0.07 -2.23 0.00 0.00 178.31 176.54 2kvc h LEU 8 N 0.22 0.94 -0.48 0.59 3.38 -1.36 -0.59 115.31 118.01 2kvc h LEU 8 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2kvc h LEU 8 Cb -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2kvc h LEU 8 CO -0.03 0.77 0.28 0.74 0.09 0.00 0.00 178.44 180.28 2kvc h THR 9 N 1.04 1.04 -0.20 0.22 2.02 -0.91 0.13 112.91 116.24 2kvc h THR 9 Ca 0.26 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 2kvc h THR 9 Cb 0.04 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2kvc h THR 9 CO -0.04 0.10 -0.30 0.77 0.37 0.00 0.00 175.52 176.42 2kvc h SER 10 N 0.56 0.41 0.03 4.18 4.64 -0.70 -0.90 113.55 121.78 2kvc h SER 10 Ca 0.19 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2kvc h SER 10 Cb 0.03 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2kvc h SER 10 CO -0.09 0.70 -0.01 0.40 -0.87 0.00 0.00 176.83 176.96 2kvc h ILE 11 N 0.35 1.06 -0.52 0.95 1.08 -0.49 0.25 117.51 120.20 2kvc h ILE 11 Ca 0.05 -0.27 0.09 0.00 -0.39 0.00 0.00 64.86 64.34 2kvc h ILE 11 Cb 0.71 1.24 -0.08 0.00 -3.07 0.00 0.00 36.82 35.63 2kvc h ILE 11 CO 0.05 0.07 0.08 0.58 -0.69 0.00 0.00 178.15 178.24 2kvc h VAL 12 N -0.16 0.68 -0.11 1.67 2.07 -0.80 -0.14 116.25 119.46 2kvc h VAL 12 Ca -0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2kvc h VAL 12 Cb 0.14 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2kvc h VAL 12 CO 0.01 0.04 0.03 0.00 0.02 0.00 0.00 177.57 177.67 2kvc h ALA 13 N 1.42 0.12 -0.03 1.67 0.00 -0.91 -1.29 119.26 120.23 2kvc h ALA 13 Ca 0.26 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2kvc h ALA 13 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2kvc h ALA 13 CO -0.36 -0.42 -0.09 2.35 0.00 0.00 0.00 179.25 180.72 2kvc h TRP 14 N 0.08 -0.24 0.09 0.00 7.01 -0.43 0.24 115.95 122.72 2kvc h TRP 14 Ca 0.05 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.07 2kvc h TRP 14 Cb 0.03 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2kvc h TRP 14 CO -0.11 -0.14 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.15 2kvc h LEU 15 N -0.15 -0.49 -0.95 0.65 3.38 -0.83 -0.48 115.31 116.44 2kvc h LEU 15 Ca 0.05 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2kvc h LEU 15 Cb 0.21 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2kvc h LEU 15 CO -0.12 -0.25 -0.45 0.08 0.09 0.00 0.00 178.44 177.79 2kvc h ARG 16 N -0.34 0.00 -0.40 1.13 0.11 -1.15 -2.32 114.38 111.41 2kvc h ARG 16 Ca 0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.06 2kvc h ARG 16 Cb 0.36 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.42 2kvc h ARG 16 CO -0.10 0.45 0.06 0.00 0.10 0.00 0.00 179.97 180.47 2kvc h ALA 17 N 1.55 1.34 0.00 0.08 0.00 0.11 -1.11 119.26 121.24 2kvc h ALA 17 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2kvc h ALA 17 Cb 0.92 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kvc h ALA 17 CO 0.06 0.46 -0.08 0.78 0.00 0.00 0.00 179.25 180.47 2kvc h GLY 18 N 0.86 0.00 -6.41 0.00 0.00 -0.53 -3.35 103.07 93.65 2kvc h GLY 18 Ca 0.13 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.87 2kvc h GLY 18 CO 0.00 0.00 -0.95 -1.72 0.00 0.00 0.00 176.54 173.88 2kvc n TYR 19 N -4.35 -0.52 1.11 5.60 4.02 -0.47 -4.76 117.16 117.79 2kvc n TYR 19 Ca -0.03 -3.41 0.09 0.00 -0.01 0.00 0.00 57.90 54.55 2kvc n TYR 19 Cb 0.16 0.16 0.54 0.00 -0.02 0.00 0.00 39.34 40.17 2kvc n TYR 19 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2kvc n PRO 20 N 2.68 0.52 0.00 -0.72 -0.04 -0.92 -1.42 135.00 135.10 2kvc n PRO 20 Ca 0.29 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 2kvc n PRO 20 Cb 0.47 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2kvc n PRO 20 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kvc n GLU 21 N -1.06 1.29 0.00 0.54 1.02 -1.26 -5.08 120.64 116.09 2kvc n GLU 21 Ca 0.13 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2kvc n GLU 21 Cb 0.08 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kvc n GLY 22 N 0.93 -0.47 3.69 0.62 0.00 -0.51 -4.97 105.19 104.48 2kvc n GLY 22 Ca 0.09 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.04 4.63 0.37 -0.61 1.01 -1.26 -4.97 121.20 119.32 2kvc s ILE 23 Ca 0.00 1.90 -0.26 0.00 0.00 0.00 0.00 60.65 62.30 2kvc s ILE 23 Cb 0.00 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 2kvc s ILE 23 CO 0.00 0.03 1.08 -2.16 0.00 0.00 0.00 174.94 173.88 2kvc s PRO 24 N 1.91 4.27 0.59 2.79 0.04 -1.26 -3.78 135.00 139.56 2kvc s PRO 24 Ca 0.51 1.63 0.29 0.00 0.04 0.00 0.00 61.00 63.48 2kvc s PRO 24 Cb -0.21 -2.73 1.42 0.00 0.04 0.00 0.00 34.50 33.02 2kvc s PRO 24 CO 0.21 -0.07 1.81 -1.00 0.04 0.00 0.00 177.00 177.99 2kvc h PRO 25 N 2.86 0.00 0.11 0.56 0.13 -1.96 -1.34 132.00 132.37 2kvc h PRO 25 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2kvc h PRO 25 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kvc h PRO 25 CO 0.63 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.14 2kvc h THR 26 N 0.00 1.07 -0.01 1.56 1.35 -2.02 -3.16 112.91 111.71 2kvc h THR 26 Ca 0.29 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2kvc h THR 26 Cb 1.52 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 2kvc h THR 26 CO -0.00 0.18 -0.12 -0.90 -0.25 0.00 0.00 175.52 174.43 2kvc n ASP 27 N -4.99 1.16 -0.22 5.36 5.75 -0.60 -3.11 116.55 119.89 2kvc n ASP 27 Ca -0.09 -1.14 -0.04 0.00 -0.01 0.00 0.00 54.79 53.52 2kvc n ASP 27 Cb 0.22 0.05 0.14 0.00 -1.03 0.00 0.00 41.12 40.49 2kvc n ASP 27 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kvc h SER 28 N 1.63 0.95 0.37 -1.12 0.02 -1.27 0.29 113.55 114.41 2kvc h SER 28 Ca 0.00 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2kvc h SER 28 Cb 0.47 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2kvc h SER 28 CO 0.00 0.85 -0.45 -0.26 -1.14 0.00 0.00 176.83 175.83 2kvc h PHE 29 N 1.00 0.12 -0.40 3.45 -1.00 -1.55 -1.19 116.94 117.38 2kvc h PHE 29 Ca 0.23 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.92 2kvc h PHE 29 Cb 0.21 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 2kvc h PHE 29 CO 0.02 0.54 0.04 0.00 -1.61 0.00 0.00 178.31 177.29 2kvc h ALA 30 N 1.46 0.53 -0.10 2.45 0.00 -1.40 -0.64 119.26 121.55 2kvc h ALA 30 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2kvc h ALA 30 Cb 0.83 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kvc h ALA 30 CO 0.06 0.27 -0.07 0.28 0.00 0.00 0.00 179.25 179.80 2kvc h VAL 31 N 0.52 0.79 -0.96 0.00 2.07 -0.02 -0.68 116.25 117.98 2kvc h VAL 31 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2kvc h VAL 31 Cb 0.42 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2kvc h VAL 31 CO 0.01 0.00 0.59 0.17 0.02 0.00 0.00 177.57 178.36 2kvc h LEU 32 N -0.07 1.13 -0.67 2.57 8.10 -1.13 0.15 115.31 125.40 2kvc h LEU 32 Ca 0.06 -0.06 -0.03 0.00 0.11 0.00 0.00 57.88 57.97 2kvc h LEU 32 Cb 0.17 -0.29 -0.03 0.00 -0.44 0.00 0.00 40.66 40.07 2kvc h LEU 32 CO -0.14 0.86 0.31 0.00 -4.11 0.00 0.00 178.44 175.35 2kvc h ALA 33 N 1.32 0.86 -0.06 0.17 0.00 -0.65 -0.35 119.26 120.56 2kvc h ALA 33 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2kvc h ALA 33 Cb -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2kvc h ALA 33 CO -0.07 0.43 -0.10 -0.07 0.00 0.00 0.00 179.25 179.44 2kvc h LEU 34 N 0.93 0.19 -1.30 0.00 -0.00 -0.69 -3.31 115.31 111.12 2kvc h LEU 34 Ca 0.23 -0.56 -0.05 0.00 -0.00 0.00 0.00 57.88 57.49 2kvc h LEU 34 Cb 0.13 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2kvc h LEU 34 CO -0.03 0.71 -0.11 -0.07 -0.00 0.00 0.00 178.44 178.95 2kvc h LEU 35 N -0.33 0.32 -1.08 1.67 -0.00 -0.60 -2.02 115.31 113.27 2kvc h LEU 35 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2kvc h LEU 35 Cb 0.68 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2kvc h LEU 35 CO 0.02 0.47 0.00 0.00 -0.00 0.00 0.00 178.44 178.93 2kvc h ARG 37 N 0.00 0.00 0.00 0.00 3.08 -1.49 -3.36 114.38 112.62 2kvc h ARG 37 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 2kvc h ARG 37 Cb 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2kvc h ARG 37 CO 0.00 0.25 -2.08 -2.13 -1.07 0.00 0.00 179.97 174.94 2kvc n ARG 38 N -3.20 0.44 -4.19 0.04 3.00 -0.42 -5.03 116.66 107.31 2kvc n ARG 38 Ca 0.02 0.15 -0.29 0.00 -0.00 0.00 0.00 57.85 57.74 2kvc n ARG 38 Cb 0.59 -1.29 -0.08 0.00 0.00 0.00 0.00 32.46 31.68 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 -6.59 3.26 0.80 6.15 1.43 0.31 -5.11 118.68 118.93 2kvc s LEU 39 Ca -0.26 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2kvc s LEU 39 Cb 0.09 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.40 2kvc s LEU 39 CO 0.39 0.14 1.13 -0.44 0.23 0.00 0.00 176.35 177.80 2kvc s SER 40 N -2.53 4.01 0.49 2.29 0.01 -1.26 -4.16 113.70 112.54 2kvc s SER 40 Ca 0.25 2.06 0.17 0.00 1.31 0.00 0.00 55.95 59.75 2kvc s SER 40 Cb -0.11 -2.55 1.19 0.00 0.21 0.00 0.00 66.02 64.76 2kvc s SER 40 CO 0.17 -2.37 2.06 1.12 0.41 0.00 0.00 173.24 174.63 2kvc h HIS 41 N -1.07 0.00 -0.02 2.43 2.07 -1.90 -0.00 115.15 116.67 2kvc h HIS 41 Ca -0.45 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 56.90 2kvc h HIS 41 Cb 1.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.22 2kvc h HIS 41 CO 0.53 0.11 -0.78 -0.44 -3.07 0.00 0.00 177.93 174.28 2kvc h ASP 42 N 0.00 0.24 -0.14 3.10 3.32 -1.95 0.04 116.42 121.03 2kvc h ASP 42 Ca -0.00 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2kvc h ASP 42 Cb 0.21 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2kvc h ASP 42 CO 0.01 0.93 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.30 2kvc h GLU 43 N 0.12 0.30 -0.13 3.56 4.57 -1.48 -0.20 114.58 121.33 2kvc h GLU 43 Ca -0.03 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 57.91 2kvc h GLU 43 Cb 1.37 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 2kvc h GLU 43 CO 0.12 0.64 -0.37 -0.39 -1.18 0.00 0.00 179.01 177.83 2kvc h VAL 44 N -0.04 1.29 -0.74 0.32 -1.51 -1.10 -0.85 116.25 113.62 2kvc h VAL 44 Ca 0.03 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 2kvc h VAL 44 Cb 0.56 1.61 -0.04 0.00 -2.13 0.00 0.00 31.29 31.29 2kvc h VAL 44 CO 0.02 0.43 0.44 0.50 -1.23 0.00 0.00 177.57 177.73 2kvc h LYS 45 N 0.23 1.02 0.06 5.19 3.64 -0.81 0.37 116.57 126.26 2kvc h LYS 45 Ca 0.03 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kvc h LYS 45 Cb 0.77 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2kvc h LYS 45 CO 0.06 0.73 -0.03 0.00 -2.27 0.00 0.00 179.45 177.95 2kvc h ALA 46 N 1.23 -0.07 -0.32 5.00 0.00 -0.53 -1.26 119.26 123.29 2kvc h ALA 46 Ca 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kvc h ALA 46 Cb -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kvc h ALA 46 CO -0.05 -0.38 -0.09 -0.24 0.00 0.00 0.00 179.25 178.49 2kvc h VAL 47 N -0.40 1.23 -0.37 0.00 3.04 -1.11 -1.01 116.25 117.62 2kvc h VAL 47 Ca -0.01 -0.99 -0.06 0.00 -1.01 0.00 0.00 66.70 64.63 2kvc h VAL 47 Cb 0.36 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2kvc h VAL 47 CO 0.01 0.33 -0.01 0.00 -1.01 0.00 0.00 177.57 176.89 2kvc h ALA 48 N 1.40 0.50 -0.06 3.17 0.00 -0.90 0.11 119.26 123.47 2kvc h ALA 48 Ca 0.10 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2kvc h ALA 48 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kvc h ALA 48 CO 0.03 0.28 -0.06 -0.97 0.00 0.00 0.00 179.25 178.52 2kvc h ASN 49 N 0.47 -0.19 0.54 0.00 -1.24 -0.69 0.12 115.58 114.59 2kvc h ASN 49 Ca 0.10 0.04 -0.13 0.00 0.71 0.00 0.00 56.30 57.02 2kvc h ASN 49 Cb 0.49 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 2kvc h ASN 49 CO 0.02 -0.09 -0.59 1.05 -1.29 0.00 0.00 177.43 176.53 2kvc h GLU 50 N -0.08 0.05 -0.24 6.67 4.11 -1.16 -1.44 114.58 122.49 2kvc h GLU 50 Ca 0.05 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 59.26 2kvc h GLU 50 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kvc h GLU 50 CO -0.11 0.63 -0.57 1.25 0.07 0.00 0.00 179.01 180.28 2kvc h LEU 51 N 0.04 0.82 -0.91 3.06 5.85 -0.65 0.15 115.31 123.67 2kvc h LEU 51 Ca -0.01 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 2kvc h LEU 51 Cb 1.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2kvc h LEU 51 CO 0.08 1.22 -0.05 0.24 -0.34 0.00 0.00 178.44 179.58 2kvc h MET 52 N 0.56 0.74 -0.39 1.25 2.86 -0.59 -0.67 114.93 118.70 2kvc h MET 52 Ca 0.01 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.32 2kvc h MET 52 Cb 1.15 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 2kvc h MET 52 CO 0.12 0.79 -0.19 -0.09 1.06 0.00 0.00 176.91 178.60 2kvc h ARG 53 N 0.69 0.75 -0.14 1.72 9.65 -1.05 -2.92 114.38 123.07 2kvc h ARG 53 Ca 0.13 -0.28 -0.09 0.00 -1.10 0.00 0.00 59.98 58.63 2kvc h ARG 53 Cb 0.50 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 2kvc h ARG 53 CO 0.03 0.88 -0.32 1.25 2.80 0.00 0.00 179.97 184.61 2kvc h LEU 54 N 0.66 0.28 0.00 3.80 6.46 -0.14 -3.47 115.31 122.89 2kvc h LEU 54 Ca 0.10 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kvc h LEU 54 Cb 0.68 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2kvc h LEU 54 CO 0.05 0.59 0.00 0.61 -0.62 0.00 0.00 178.44 179.07 2kvc n GLY 55 N -0.38 1.87 1.96 3.75 0.00 -0.31 -4.99 105.19 107.10 2kvc n GLY 55 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2kvc n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvc n ASP 56 N 0.00 5.96 -3.54 1.61 8.00 -1.14 -4.76 116.55 122.68 2kvc n ASP 56 Ca 0.00 -2.83 -0.15 0.00 0.71 0.00 0.00 54.79 52.52 2kvc n ASP 56 Cb 0.00 -1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 39.86 2kvc n ASP 56 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2kvc s PHE 57 N -0.80 -0.50 0.31 1.24 2.19 -1.26 -4.60 117.98 114.57 2kvc s PHE 57 Ca 0.38 0.63 -0.22 0.00 0.33 0.00 0.00 56.93 58.04 2kvc s PHE 57 Cb 0.24 0.38 -0.09 0.00 -1.31 0.00 0.00 43.02 42.23 2kvc s PHE 57 CO -0.05 -0.65 0.86 0.16 1.83 0.00 0.00 175.22 177.36 2kvc s ASP 58 N -1.84 7.14 -1.14 6.13 -4.77 -1.25 -4.83 116.67 116.12 2kvc s ASP 58 Ca -0.06 1.64 -0.19 0.00 -3.30 0.00 0.00 52.55 50.64 2kvc s ASP 58 Cb -0.01 -2.51 0.10 0.00 -1.09 0.00 0.00 42.92 39.41 2kvc s ASP 58 CO 0.00 -0.10 1.49 -1.10 0.70 0.00 0.00 175.17 176.16 2kvc s GLN 59 N -2.29 3.83 0.00 2.11 1.11 -1.26 -4.90 119.66 118.26 2kvc s GLN 59 Ca 0.50 -1.83 0.00 0.00 0.01 0.00 0.00 55.36 54.04 2kvc s GLN 59 Cb -0.16 -5.28 0.00 0.00 -1.01 0.00 0.00 33.01 26.56 2kvc s GLN 59 CO 0.21 -2.06 0.00 0.44 0.01 0.00 0.00 175.29 173.89 2kvc n ILE 60 N 6.01 0.00 -3.75 1.08 -5.35 -1.26 -5.11 119.36 110.97 2kvc n ILE 60 Ca 0.38 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.49 2kvc n ILE 60 Cb 0.47 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.26 2kvc n ILE 60 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2kvc s ASP 61 N -0.39 5.27 0.02 7.28 1.01 -1.26 -4.89 116.67 123.71 2kvc s ASP 61 Ca 0.00 -2.25 0.02 0.00 0.71 0.00 0.00 52.55 51.03 2kvc s ASP 61 Cb 0.00 -1.85 -0.25 0.00 1.01 0.00 0.00 42.92 41.83 2kvc s ASP 61 CO 0.00 -0.51 0.90 0.40 0.21 0.00 0.00 175.17 176.18 2kvc h ILE 62 N 6.06 1.20 -0.63 0.77 1.08 -1.98 -3.34 117.51 120.67 2kvc h ILE 62 Ca -0.10 -2.90 0.05 0.00 -0.39 0.00 0.00 64.86 61.51 2kvc h ILE 62 Cb 1.02 2.71 -0.04 0.00 -3.07 0.00 0.00 36.82 37.44 2kvc h ILE 62 CO 0.71 0.79 0.42 1.23 -0.69 0.00 0.00 178.15 180.61 2kvc h GLY 63 N 2.30 0.82 1.05 5.37 0.00 -1.90 -1.00 103.07 109.69 2kvc h GLY 63 Ca -0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 2kvc h GLY 63 CO 0.14 0.22 -0.21 -2.08 0.00 0.00 0.00 176.54 174.61 2kvc h VAL 64 N 0.69 1.28 -0.07 4.60 2.07 -1.94 -2.82 116.25 120.04 2kvc h VAL 64 Ca 0.26 -1.36 -0.19 0.00 0.82 0.00 0.00 66.70 66.23 2kvc h VAL 64 Cb 0.17 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2kvc h VAL 64 CO -0.08 0.46 -0.76 0.58 0.02 0.00 0.00 177.57 177.79 2kvc h VAL 65 N 0.68 1.37 0.00 2.57 2.07 -1.43 0.17 116.25 121.69 2kvc h VAL 65 Ca 0.09 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 2kvc h VAL 65 Cb 0.78 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2kvc h VAL 65 CO 0.06 0.65 -0.12 0.16 0.02 0.00 0.00 177.57 178.34 2kvc h ILE 66 N 0.30 0.23 0.00 4.57 3.07 -1.27 -2.46 117.51 121.95 2kvc h ILE 66 Ca -0.04 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.23 2kvc h ILE 66 Cb 1.35 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 39.85 2kvc h ILE 66 CO 0.13 0.12 -1.70 0.35 -1.05 0.00 0.00 178.15 176.00 2kvc n THR 67 N -3.16 0.04 -3.40 0.16 -2.24 -1.07 -4.74 114.28 99.87 2kvc n THR 67 Ca 0.02 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 2kvc n THR 67 Cb 0.51 0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 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 -3.39 0.02 0.80 4.78 5.65 0.60 -5.08 115.29 118.67 2kvc s HIS 68 Ca -0.04 -1.05 -0.11 0.00 0.25 0.00 0.00 55.06 54.11 2kvc s HIS 68 Cb 0.14 -0.57 0.07 0.00 -1.18 0.00 0.00 32.58 31.04 2kvc s HIS 68 CO 0.89 -0.92 1.10 -0.06 -0.65 0.00 0.00 174.74 175.09 2kvc s PHE 69 N 1.36 2.83 0.38 3.88 0.08 -0.94 -4.13 117.98 121.45 2kvc s PHE 69 Ca 0.17 1.16 0.02 0.00 0.12 0.00 0.00 56.93 58.40 2kvc s PHE 69 Cb -0.18 -3.12 -0.01 0.00 -0.57 0.00 0.00 43.02 39.14 2kvc s PHE 69 CO -0.04 -1.76 0.56 0.99 -0.10 0.00 0.00 175.22 174.88 2kvc s THR 70 N -3.15 4.43 -0.14 0.64 2.01 -1.25 -5.05 115.64 113.12 2kvc s THR 70 Ca 0.61 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.77 2kvc s THR 70 Cb -0.14 -3.60 -0.24 0.00 0.01 0.00 0.00 72.50 68.52 2kvc s THR 70 CO 0.54 -0.36 0.46 0.44 -0.69 0.00 0.00 174.62 175.02 2kvc h ASP 71 N 0.67 0.20 0.70 3.53 3.32 -2.00 -3.39 116.42 119.46 2kvc h ASP 71 Ca -0.48 -0.76 -0.09 0.00 0.02 0.00 0.00 57.03 55.72 2kvc h ASP 71 Cb 1.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2kvc h ASP 71 CO 0.58 1.50 -1.36 1.21 -1.72 0.00 0.00 179.24 179.45 2kvc n GLU 72 N -4.17 0.62 -4.11 3.56 2.13 -1.26 -4.90 120.64 112.51 2kvc n GLU 72 Ca -0.26 0.12 -0.22 0.00 0.66 0.00 0.00 57.16 57.47 2kvc n GLU 72 Cb 0.78 -1.77 -0.04 0.00 0.27 0.00 0.00 31.44 30.67 2kvc n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kvc s LEU 73 N -5.44 3.79 0.74 4.31 1.02 -1.26 -4.46 118.68 117.38 2kvc s LEU 73 Ca -0.03 -0.27 -0.11 0.00 0.02 0.00 0.00 54.13 53.74 2kvc s LEU 73 Cb 0.10 -2.33 0.04 0.00 0.02 0.00 0.00 46.19 44.01 2kvc s LEU 73 CO 0.82 -0.05 1.08 -2.16 0.02 0.00 0.00 176.35 176.06 2kvc s PRO 74 N -3.84 2.56 0.20 1.29 0.04 -1.26 -3.88 135.00 130.11 2kvc s PRO 74 Ca 0.33 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 2kvc s PRO 74 Cb -0.08 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2kvc s PRO 74 CO 0.25 -1.34 1.45 -1.12 0.04 0.00 0.00 177.00 176.27 2kvc s SER 75 N -3.79 6.70 0.33 6.66 0.01 -1.26 -4.92 113.70 117.43 2kvc s SER 75 Ca 0.59 2.56 0.01 0.00 1.31 0.00 0.00 55.95 60.43 2kvc s SER 75 Cb -0.14 -2.61 0.57 0.00 0.21 0.00 0.00 66.02 64.05 2kvc s SER 75 CO 0.55 -0.70 1.97 -0.65 0.41 0.00 0.00 173.24 174.82 2kvc h PRO 76 N 5.81 0.86 -0.02 12.44 0.11 -1.99 -0.81 132.00 148.39 2kvc h PRO 76 Ca -0.44 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 2kvc h PRO 76 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2kvc h PRO 76 CO 0.83 0.60 -0.47 0.93 -0.21 0.00 0.00 178.00 179.67 2kvc h GLU 77 N 0.87 0.05 -0.11 1.05 4.39 -1.98 -1.24 114.58 117.61 2kvc h GLU 77 Ca 0.23 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 2kvc h GLU 77 Cb -0.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2kvc h GLU 77 CO -0.04 0.52 -0.56 -0.44 -1.16 0.00 0.00 179.01 177.33 2kvc h ASP 78 N 0.04 0.68 -0.54 1.42 5.19 -1.71 -0.57 116.42 120.93 2kvc h ASP 78 Ca -0.00 -0.64 -0.05 0.00 -0.62 0.00 0.00 57.03 55.71 2kvc h ASP 78 Cb 0.86 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2kvc h ASP 78 CO 0.06 1.21 0.13 -0.37 -3.12 0.00 0.00 179.24 177.15 2kvc h VAL 79 N 0.19 1.25 -0.34 -1.35 -1.51 -1.04 0.25 116.25 113.70 2kvc h VAL 79 Ca -0.04 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.51 2kvc h VAL 79 Cb 1.20 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.12 2kvc h VAL 79 CO 0.12 0.32 0.07 -0.33 -1.23 0.00 0.00 177.57 176.52 2kvc h GLU 80 N 0.77 0.51 0.42 5.19 4.39 -1.27 -0.27 114.58 124.32 2kvc h GLU 80 Ca 0.17 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2kvc h GLU 80 Cb 0.35 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kvc h GLU 80 CO 0.00 0.48 -0.20 -0.09 -1.16 0.00 0.00 179.01 178.04 2kvc h ARG 81 N 0.50 -0.55 -0.40 2.33 9.65 -0.27 -0.47 114.38 125.17 2kvc h ARG 81 Ca 0.12 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2kvc h ARG 81 Cb 0.22 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 2kvc h ARG 81 CO -0.00 -0.26 0.17 -0.24 2.80 0.00 0.00 179.97 182.44 2kvc h VAL 82 N -0.81 1.15 -0.39 0.20 3.04 -0.92 -0.94 116.25 117.58 2kvc h VAL 82 Ca -0.06 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2kvc h VAL 82 Cb 0.54 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2kvc h VAL 82 CO 0.10 0.18 0.25 -0.09 -1.01 0.00 0.00 177.57 176.99 2kvc h ARG 83 N 0.55 0.51 -0.36 4.17 2.43 -0.88 0.90 114.38 121.72 2kvc h ARG 83 Ca 0.14 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2kvc h ARG 83 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2kvc h ARG 83 CO -0.02 0.35 -0.11 0.00 -1.51 0.00 0.00 179.97 178.69 2kvc h ALA 84 N 1.13 0.50 0.08 2.80 0.00 -0.38 -2.65 119.26 120.74 2kvc h ALA 84 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kvc h ALA 84 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kvc h ALA 84 CO -0.03 0.37 -0.04 0.00 0.00 0.00 0.00 179.25 179.55 2kvc h ARG 85 N 0.50 -0.11 0.00 0.00 2.47 -1.01 -3.21 114.38 113.02 2kvc h ARG 85 Ca 0.09 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 2kvc h ARG 85 Cb 0.63 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 2kvc h ARG 85 CO 0.04 0.23 -0.17 -0.07 0.56 0.00 0.00 179.97 180.56 2kvc h LEU 86 N -0.46 0.00 -2.49 3.04 -0.00 -0.89 -2.15 115.31 112.36 2kvc h LEU 86 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2kvc h LEU 86 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2kvc h LEU 86 CO 0.02 0.17 -0.01 0.00 -0.00 0.00 0.00 178.44 178.62 2kvc h ALA 87 N 1.83 1.42 0.00 1.53 0.00 -1.47 -1.69 119.26 120.88 2kvc h ALA 87 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2kvc h ALA 87 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kvc h ALA 87 CO 0.02 0.02 -0.32 0.00 0.00 0.00 0.00 179.25 178.96 2kvc h ALA 88 N 1.99 1.24 -0.63 0.00 0.00 -1.50 -2.46 119.26 117.90 2kvc h ALA 88 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kvc h ALA 88 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kvc h ALA 88 CO 0.00 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.70 2kvc n GLN 89 N -3.82 2.64 0.00 0.00 3.00 -0.64 -5.06 117.38 113.50 2kvc n GLN 89 Ca -0.01 -2.52 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 2kvc n GLN 89 Cb 0.41 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 1.62 0.69 2.60 1.08 0.00 -0.93 -4.98 105.19 105.28 2kvc n GLY 90 Ca 0.23 -2.16 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.14 -0.14 -2.09 1.61 -0.11 -1.26 -4.14 118.94 111.68 2kvc s TRP 91 Ca 0.00 -1.40 0.21 0.00 1.22 0.00 0.00 56.10 56.13 2kvc s TRP 91 Cb 0.00 -0.38 1.12 0.00 -1.50 0.00 0.00 33.47 32.71 2kvc s TRP 91 CO 0.00 -1.01 1.74 -0.35 -4.62 0.00 0.00 176.95 172.70 2kvc n PRO 92 N 3.17 1.20 -0.08 5.86 -0.04 -1.26 -3.82 135.00 140.03 2kvc n PRO 92 Ca 0.22 -0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 2kvc n PRO 92 Cb 0.50 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2kvc n PRO 92 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kvc h LEU 93 N 0.62 0.95 0.00 1.53 5.85 -1.99 -3.45 115.31 118.82 2kvc h LEU 93 Ca 0.00 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2kvc h LEU 93 Cb 0.13 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2kvc h LEU 93 CO 0.00 1.29 0.00 -0.67 -0.34 0.00 0.00 178.44 178.72 2kvc n ASP 94 N -4.01 1.17 -4.21 1.25 -0.08 -1.25 -4.65 116.55 104.77 2kvc n ASP 94 Ca -0.04 -0.83 -0.32 0.00 -1.51 0.00 0.00 54.79 52.08 2kvc n ASP 94 Cb 0.62 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.91 2kvc n ASP 94 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kvc s ASP 95 N -0.81 3.17 -0.08 1.67 1.01 -1.26 -5.03 116.67 115.35 2kvc s ASP 95 Ca 0.00 -0.56 0.04 0.00 0.71 0.00 0.00 52.55 52.74 2kvc s ASP 95 Cb 0.00 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.49 2kvc s ASP 95 CO 0.00 0.12 -0.19 0.54 0.21 0.00 0.00 175.17 175.85 2kvc s VAL 96 N 0.55 1.68 0.18 -1.27 0.11 -1.26 -5.12 120.40 115.28 2kvc s VAL 96 Ca -0.13 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 57.81 2kvc s VAL 96 Cb -0.17 -1.47 -0.08 0.00 -1.53 0.00 0.00 36.38 33.14 2kvc s VAL 96 CO 0.04 0.48 1.06 0.00 -3.33 0.00 0.00 175.10 173.35 2kvc s ARG 97 N 0.34 4.64 -0.52 1.54 1.70 -1.26 -4.97 118.95 120.42 2kvc s ARG 97 Ca -0.14 1.67 -0.28 0.00 -0.47 0.00 0.00 55.73 56.51 2kvc s ARG 97 Cb -0.16 -3.28 -0.00 0.00 -0.57 0.00 0.00 34.95 30.94 2kvc s ARG 97 CO 0.06 0.15 1.58 0.34 -1.08 0.00 0.00 175.30 176.35 2kvc s ASP 98 N -0.28 5.91 -0.27 -2.89 2.15 -1.26 -4.86 116.67 115.17 2kvc s ASP 98 Ca 0.48 0.52 -0.27 0.00 0.43 0.00 0.00 52.55 53.71 2kvc s ASP 98 Cb -0.28 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 39.97 2kvc s ASP 98 CO 0.35 -1.83 1.31 -0.60 -0.17 0.00 0.00 175.17 174.22 2kvc s ARG 99 N 5.83 0.19 -0.96 4.34 6.06 -1.26 -5.08 118.95 128.07 2kvc s ARG 99 Ca 0.61 0.13 -0.24 0.00 -2.50 0.00 0.00 55.73 53.74 2kvc s ARG 99 Cb -0.13 0.09 -0.03 0.00 0.06 0.00 0.00 34.95 34.93 2kvc s ARG 99 CO 0.26 -0.04 1.85 -2.00 -2.50 0.00 0.00 175.30 172.87 2kvc s GLU 100 N -0.42 2.78 -0.08 5.12 -6.30 -1.26 -4.67 118.70 113.86 2kvc s GLU 100 Ca 0.06 -0.56 -0.08 0.00 -2.50 0.00 0.00 54.97 51.89 2kvc s GLU 100 Cb -0.03 -5.14 -0.03 0.00 0.00 0.00 0.00 34.13 28.93 2kvc s GLU 100 CO -0.10 -3.19 -0.15 0.39 0.02 0.00 0.00 175.26 172.23 2kvc n GLU 101 N 8.80 0.25 -3.81 4.30 -0.58 -1.26 -4.98 120.64 123.37 2kvc n GLU 101 Ca 0.39 0.16 -0.26 0.00 -0.42 0.00 0.00 57.16 57.04 2kvc n GLU 101 Cb 0.48 -1.02 -0.17 0.00 -0.57 0.00 0.00 31.44 30.16 2kvc n GLU 101 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kvc s HIS 102 N -1.87 1.17 -0.77 -0.32 2.46 -1.26 -5.31 115.29 109.38 2kvc s HIS 102 Ca -0.13 -0.72 0.06 0.00 0.47 0.00 0.00 55.06 54.74 2kvc s HIS 102 Cb 0.02 -1.07 0.05 0.00 -0.13 0.00 0.00 32.58 31.45 2kvc s HIS 102 CO 0.19 -0.52 0.70 0.00 -2.47 0.00 0.00 174.74 172.63