#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 2.81 -0.04 1.61 0.01 -1.26 -5.11 113.70 111.72 2kvc s SER 2 Ca 0.00 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2kvc s SER 2 Cb 0.00 -1.28 0.03 0.00 0.21 0.00 0.00 66.02 64.98 2kvc s SER 2 CO 0.00 0.07 0.06 -1.00 0.41 0.00 0.00 173.24 172.78 2kvc s HIS 3 N 0.77 0.02 -0.81 2.43 3.76 -1.26 -5.00 115.29 115.21 2kvc s HIS 3 Ca -0.10 0.24 0.24 0.00 -0.15 0.00 0.00 55.06 55.29 2kvc s HIS 3 Cb -0.16 -0.34 0.92 0.00 1.11 0.00 0.00 32.58 34.11 2kvc s HIS 3 CO 0.01 -0.15 1.73 0.00 -0.85 0.00 0.00 174.74 175.47 2kvc n MET 4 N 4.78 0.12 0.21 1.40 0.00 -1.26 -2.81 117.12 119.56 2kvc n MET 4 Ca -0.15 0.21 0.05 0.00 0.00 0.00 0.00 57.70 57.82 2kvc n MET 4 Cb 0.50 -1.67 0.46 0.00 0.00 0.00 0.00 33.22 32.52 2kvc n MET 4 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 2kvc h ASN 5 N 0.00 0.00 -0.49 3.17 -1.24 -2.00 -2.70 115.58 112.32 2kvc h ASN 5 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 2kvc h ASN 5 Cb 0.47 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 2kvc h ASN 5 CO 0.00 0.25 0.31 -0.09 -1.29 0.00 0.00 177.43 176.61 2kvc h ARG 6 N 0.00 0.60 -0.27 6.67 1.12 -1.95 0.15 114.38 120.70 2kvc h ARG 6 Ca -0.00 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2kvc h ARG 6 Cb 0.47 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 2kvc h ARG 6 CO 0.03 0.39 0.17 0.35 -3.11 0.00 0.00 179.97 177.81 2kvc h PHE 7 N 0.61 0.32 -0.63 2.20 3.57 -1.68 0.74 116.94 122.07 2kvc h PHE 7 Ca 0.19 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2kvc h PHE 7 Cb -0.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2kvc h PHE 7 CO -0.06 0.19 0.42 -0.07 -2.23 0.00 0.00 178.31 176.57 2kvc h LEU 8 N 0.35 0.73 -1.02 0.59 3.38 -1.30 0.45 115.31 118.48 2kvc h LEU 8 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2kvc h LEU 8 Cb -0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2kvc h LEU 8 CO -0.04 0.52 0.37 0.74 0.09 0.00 0.00 178.44 180.13 2kvc h THR 9 N 0.86 1.23 -0.51 0.22 2.02 -0.37 -0.96 112.91 115.39 2kvc h THR 9 Ca 0.23 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 2kvc h THR 9 Cb -0.10 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2kvc h THR 9 CO -0.05 0.27 0.06 0.28 0.37 0.00 0.00 175.52 176.45 2kvc h SER 10 N 1.06 0.79 -0.16 4.18 0.02 0.06 -1.16 113.55 118.34 2kvc h SER 10 Ca 0.26 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2kvc h SER 10 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2kvc h SER 10 CO -0.04 0.82 0.09 0.40 -1.14 0.00 0.00 176.83 176.96 2kvc h ILE 11 N 0.78 1.09 -0.24 3.27 1.08 -0.09 0.24 117.51 123.64 2kvc h ILE 11 Ca 0.16 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2kvc h ILE 11 Cb 0.39 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 2kvc h ILE 11 CO 0.01 0.09 -0.18 0.58 -0.69 0.00 0.00 178.15 177.96 2kvc h VAL 12 N 0.17 0.50 -0.34 1.67 2.07 -0.80 0.34 116.25 119.86 2kvc h VAL 12 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2kvc h VAL 12 Cb 0.06 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2kvc h VAL 12 CO -0.01 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.79 2kvc h ALA 13 N 0.95 0.44 -0.26 1.67 0.00 -1.02 -1.28 119.26 119.76 2kvc h ALA 13 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2kvc h ALA 13 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2kvc h ALA 13 CO -0.34 -0.08 0.06 2.35 0.00 0.00 0.00 179.25 181.23 2kvc h TRP 14 N 0.45 0.10 0.20 0.00 7.01 0.02 0.32 115.95 124.05 2kvc h TRP 14 Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2kvc h TRP 14 Cb -0.02 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 2kvc h TRP 14 CO -0.04 0.03 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.47 2kvc h LEU 15 N 0.16 -0.23 -0.72 0.65 3.38 -0.10 0.04 115.31 118.49 2kvc h LEU 15 Ca 0.12 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2kvc h LEU 15 Cb 0.11 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2kvc h LEU 15 CO -0.15 -0.17 -0.51 0.08 0.09 0.00 0.00 178.44 177.79 2kvc h ARG 16 N -0.27 0.34 -0.03 1.13 0.11 -1.08 -2.44 114.38 112.14 2kvc h ARG 16 Ca -0.03 -0.20 -0.07 0.00 0.10 0.00 0.00 59.98 59.78 2kvc h ARG 16 Cb 0.21 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2kvc h ARG 16 CO 0.05 0.77 -0.33 0.00 0.10 0.00 0.00 179.97 180.56 2kvc h ALA 17 N 1.19 1.40 0.00 0.08 0.00 -0.21 -1.55 119.26 120.17 2kvc h ALA 17 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2kvc h ALA 17 Cb 0.99 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kvc h ALA 17 CO 0.08 0.44 -0.24 0.78 0.00 0.00 0.00 179.25 180.31 2kvc h GLY 18 N 1.03 0.00 -6.35 0.00 0.00 -0.51 -3.38 103.07 93.87 2kvc h GLY 18 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 2kvc h GLY 18 CO 0.04 0.00 -0.98 -1.72 0.00 0.00 0.00 176.54 173.88 2kvc n TYR 19 N -3.62 -0.81 0.33 5.60 4.01 -0.61 -4.90 117.16 117.15 2kvc n TYR 19 Ca -0.01 -3.34 0.15 0.00 -0.16 0.00 0.00 57.90 54.54 2kvc n TYR 19 Cb 0.37 0.20 0.62 0.00 -0.31 0.00 0.00 39.34 40.23 2kvc n TYR 19 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2kvc h PRO 20 N 5.50 0.00 0.00 -0.72 0.13 -1.69 -2.00 132.00 133.22 2kvc h PRO 20 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2kvc h PRO 20 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kvc h PRO 20 CO 0.39 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.09 2kvc h GLU 21 N 0.00 0.00 0.00 0.86 4.39 -1.92 -3.49 114.58 114.42 2kvc h GLU 21 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kvc h GLU 21 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2kvc h GLU 21 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2kvc n GLY 22 N 0.85 2.82 3.32 -3.84 0.00 -0.75 -4.99 105.19 102.59 2kvc n GLY 22 Ca 0.04 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.98 4.97 0.67 -0.61 1.01 -1.22 -4.83 121.20 118.22 2kvc s ILE 23 Ca 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.14 2kvc s ILE 23 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2kvc s ILE 23 CO 0.00 -0.70 1.14 -2.16 0.00 0.00 0.00 174.94 173.21 2kvc s PRO 24 N 1.56 2.66 0.53 2.79 0.04 -1.26 -4.52 135.00 136.79 2kvc s PRO 24 Ca 0.04 1.50 0.26 0.00 0.04 0.00 0.00 61.00 62.84 2kvc s PRO 24 Cb -0.26 -1.92 1.39 0.00 0.04 0.00 0.00 34.50 33.75 2kvc s PRO 24 CO 0.04 -1.38 1.97 -1.35 0.04 0.00 0.00 177.00 176.31 2kvc h PRO 25 N 0.01 0.03 -0.61 0.56 0.11 -1.97 0.22 132.00 130.35 2kvc h PRO 25 Ca -0.47 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2kvc h PRO 25 Cb 1.26 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2kvc h PRO 25 CO 0.53 0.02 -0.00 1.79 -0.21 0.00 0.00 178.00 180.12 2kvc h THR 26 N 0.03 1.27 0.00 -1.15 1.35 -2.02 -3.28 112.91 109.10 2kvc h THR 26 Ca 0.30 -1.16 -0.07 0.00 -0.55 0.00 0.00 66.41 64.93 2kvc h THR 26 Cb 1.16 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 2kvc h THR 26 CO -0.01 0.42 -1.99 0.47 -0.25 0.00 0.00 175.52 174.16 2kvc n ASP 27 N -4.18 0.07 -0.03 5.36 9.92 -0.24 -3.84 116.55 123.62 2kvc n ASP 27 Ca 0.03 0.03 -0.12 0.00 -0.53 0.00 0.00 54.79 54.20 2kvc n ASP 27 Cb 0.35 1.68 -0.06 0.00 -0.64 0.00 0.00 41.12 42.45 2kvc n ASP 27 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2kvc h SER 28 N 0.00 0.16 0.26 -2.24 4.64 -0.73 0.32 113.55 115.98 2kvc h SER 28 Ca -0.10 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 2kvc h SER 28 Cb 1.24 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2kvc h SER 28 CO 0.01 0.34 -0.29 -0.26 -0.87 0.00 0.00 176.83 175.76 2kvc h PHE 29 N -0.02 0.04 -0.59 4.77 0.04 -1.75 -0.63 116.94 118.79 2kvc h PHE 29 Ca 0.03 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2kvc h PHE 29 Cb 0.24 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2kvc h PHE 29 CO 0.00 0.32 0.15 0.00 -0.60 0.00 0.00 178.31 178.19 2kvc h ALA 30 N 1.68 0.78 -0.39 2.45 0.00 -1.54 -1.00 119.26 121.23 2kvc h ALA 30 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kvc h ALA 30 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kvc h ALA 30 CO 0.04 0.47 0.20 0.28 0.00 0.00 0.00 179.25 180.24 2kvc h VAL 31 N 0.85 1.16 -0.73 0.00 2.07 0.69 0.32 116.25 120.60 2kvc h VAL 31 Ca 0.19 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2kvc h VAL 31 Cb 0.33 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2kvc h VAL 31 CO -0.00 0.17 0.31 0.17 0.02 0.00 0.00 177.57 178.23 2kvc h LEU 32 N 0.49 1.00 -0.78 2.57 8.10 -0.98 0.30 115.31 126.02 2kvc h LEU 32 Ca 0.13 -0.16 -0.08 0.00 0.11 0.00 0.00 57.88 57.88 2kvc h LEU 32 Cb 0.08 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.02 2kvc h LEU 32 CO -0.02 0.89 0.02 0.00 -4.11 0.00 0.00 178.44 175.22 2kvc h ALA 33 N 1.15 0.98 0.16 0.17 0.00 -0.99 0.79 119.26 121.53 2kvc h ALA 33 Ca 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kvc h ALA 33 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kvc h ALA 33 CO -0.02 0.62 -0.08 1.25 0.00 0.00 0.00 179.25 181.02 2kvc h LEU 34 N 0.87 -0.19 -1.50 0.00 5.85 -0.32 -3.10 115.31 116.92 2kvc h LEU 34 Ca 0.16 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2kvc h LEU 34 Cb 0.49 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kvc h LEU 34 CO 0.02 0.07 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.87 2kvc h LEU 35 N -0.44 0.00 -1.34 2.25 3.38 -0.29 -2.32 115.31 116.56 2kvc h LEU 35 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kvc h LEU 35 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kvc h LEU 35 CO 0.04 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2kvc n ARG 37 N -2.27 1.35 0.00 0.00 1.74 -0.87 -4.26 116.66 112.35 2kvc n ARG 37 Ca -0.01 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 2kvc n ARG 37 Cb 0.07 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.12 1.08 -4.41 5.56 3.00 0.47 -5.10 116.66 117.14 2kvc n ARG 38 Ca 0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.81 2kvc n ARG 38 Cb 0.36 -0.80 -0.10 0.00 0.00 0.00 0.00 32.46 31.91 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 -3.59 2.33 0.76 6.15 1.43 0.25 -5.14 118.68 120.88 2kvc s LEU 39 Ca 0.00 -1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 51.82 2kvc s LEU 39 Cb 0.00 -0.48 0.14 0.00 0.03 0.00 0.00 46.19 45.88 2kvc s LEU 39 CO 0.00 -0.46 1.05 -0.94 0.23 0.00 0.00 176.35 176.22 2kvc s SER 40 N -3.43 4.14 0.57 2.29 1.04 -1.26 -3.80 113.70 113.26 2kvc s SER 40 Ca 0.31 -0.28 0.33 0.00 0.48 0.00 0.00 55.95 56.79 2kvc s SER 40 Cb 0.06 -0.03 1.70 0.00 0.10 0.00 0.00 66.02 67.85 2kvc s SER 40 CO 0.12 -2.01 2.14 1.12 0.98 0.00 0.00 173.24 175.59 2kvc h HIS 41 N -0.70 0.00 -0.07 5.02 2.07 -1.92 -1.20 115.15 118.35 2kvc h HIS 41 Ca -0.37 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.99 2kvc h HIS 41 Cb 1.26 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.25 2kvc h HIS 41 CO -0.35 0.06 -0.59 -0.44 -3.07 0.00 0.00 177.93 173.54 2kvc h ASP 42 N 0.00 0.63 -0.46 3.10 5.19 -1.93 -0.01 116.42 122.95 2kvc h ASP 42 Ca -0.00 -0.68 -0.03 0.00 -0.62 0.00 0.00 57.03 55.70 2kvc h ASP 42 Cb 0.27 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2kvc h ASP 42 CO 0.01 1.22 0.19 -0.33 -3.12 0.00 0.00 179.24 177.21 2kvc h GLU 43 N 0.09 0.68 -0.14 3.56 3.07 -1.77 0.23 114.58 120.31 2kvc h GLU 43 Ca -0.05 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.59 2kvc h GLU 43 Cb 1.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2kvc h GLU 43 CO 0.12 0.62 -0.33 -0.39 -1.40 0.00 0.00 179.01 177.63 2kvc h VAL 44 N 0.60 1.28 -0.66 3.13 -1.51 -1.28 0.56 116.25 118.37 2kvc h VAL 44 Ca 0.15 -1.34 -0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2kvc h VAL 44 Cb 0.19 1.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 2kvc h VAL 44 CO -0.01 0.40 0.39 0.50 -1.23 0.00 0.00 177.57 177.63 2kvc h LYS 45 N 0.24 0.89 -0.03 5.19 3.64 -0.61 -0.82 116.57 125.07 2kvc h LYS 45 Ca 0.03 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kvc h LYS 45 Cb 0.71 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2kvc h LYS 45 CO 0.05 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.87 2kvc h ALA 46 N 1.20 0.04 -0.51 5.00 0.00 -0.21 0.26 119.26 125.05 2kvc h ALA 46 Ca 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2kvc h ALA 46 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kvc h ALA 46 CO -0.04 -0.30 0.06 -0.24 0.00 0.00 0.00 179.25 178.72 2kvc h VAL 47 N -0.23 1.24 -0.30 0.00 3.04 -0.87 0.17 116.25 119.30 2kvc h VAL 47 Ca 0.01 -0.92 -0.08 0.00 -1.01 0.00 0.00 66.70 64.70 2kvc h VAL 47 Cb 0.31 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 2kvc h VAL 47 CO 0.00 0.33 -0.11 0.00 -1.01 0.00 0.00 177.57 176.78 2kvc h ALA 48 N 1.29 0.42 -0.52 3.17 0.00 -1.09 -0.91 119.26 121.62 2kvc h ALA 48 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2kvc h ALA 48 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kvc h ALA 48 CO 0.01 0.28 0.30 -0.97 0.00 0.00 0.00 179.25 178.87 2kvc h ASN 49 N 0.36 0.63 0.24 0.00 -0.73 -0.52 0.26 115.58 115.82 2kvc h ASN 49 Ca 0.07 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2kvc h ASN 49 Cb 0.62 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.05 2kvc h ASN 49 CO 0.04 0.52 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.41 2kvc h GLU 50 N 0.69 -0.32 -0.33 6.67 4.57 -0.60 -0.02 114.58 125.25 2kvc h GLU 50 Ca 0.18 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.24 2kvc h GLU 50 Cb 0.01 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2kvc h GLU 50 CO -0.03 -0.21 -0.40 1.25 -1.18 0.00 0.00 179.01 178.43 2kvc h LEU 51 N -0.33 0.84 -0.95 1.64 5.85 -0.99 -2.71 115.31 118.67 2kvc h LEU 51 Ca -0.03 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 2kvc h LEU 51 Cb 0.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2kvc h LEU 51 CO 0.05 1.14 -0.48 0.24 -0.34 0.00 0.00 178.44 179.05 2kvc h MET 52 N 0.65 0.10 0.00 1.25 2.86 -0.45 -2.88 114.93 116.46 2kvc h MET 52 Ca 0.05 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kvc h MET 52 Cb 0.96 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 2kvc h MET 52 CO 0.09 0.57 -0.01 -0.09 1.06 0.00 0.00 176.91 178.52 2kvc h ARG 53 N 0.08 0.00 0.00 1.72 2.43 -0.65 0.60 114.38 118.56 2kvc h ARG 53 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kvc h ARG 53 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2kvc h ARG 53 CO 0.07 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 2kvc n LEU 54 N -3.31 0.00 0.00 3.80 4.77 -1.08 -4.93 117.00 116.24 2kvc n LEU 54 Ca -0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2kvc n LEU 54 Cb 0.11 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2kvc n LEU 54 CO 0.23 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2kvc n GLY 55 N 0.90 2.10 3.58 -0.72 0.00 0.20 -4.95 105.19 106.30 2kvc n GLY 55 Ca 0.14 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 6.24 0.00 1.61 1.11 -1.26 -4.62 116.67 119.75 2kvc s ASP 56 Ca 0.00 0.22 0.00 0.00 0.18 0.00 0.00 52.55 52.95 2kvc s ASP 56 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2kvc s ASP 56 CO 0.00 -1.63 0.00 0.33 1.18 0.00 0.00 175.17 175.05 2kvc n PHE 57 N 9.18 0.00 0.00 4.23 -0.00 -1.26 -4.88 117.46 124.73 2kvc n PHE 57 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 2kvc n PHE 57 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.97 2kvc n PHE 57 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2kvc n ASP 58 N -0.15 0.00 -4.56 -2.13 -0.08 -1.26 -3.36 116.55 105.00 2kvc n ASP 58 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2kvc n ASP 58 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2kvc n ASP 58 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kvc s GLN 59 N 0.00 3.13 0.16 -0.67 -1.52 -1.26 -4.91 119.66 114.59 2kvc s GLN 59 Ca 0.00 -0.56 -0.02 0.00 -1.95 0.00 0.00 55.36 52.84 2kvc s GLN 59 Cb 0.00 -4.98 -0.04 0.00 -0.22 0.00 0.00 33.01 27.77 2kvc s GLN 59 CO 0.00 -2.59 0.10 0.96 -0.25 0.00 0.00 175.29 173.51 2kvc s ILE 60 N 7.00 0.06 -0.97 1.08 -4.36 -1.26 -5.10 121.20 117.65 2kvc s ILE 60 Ca 0.53 -1.92 -0.16 0.00 -0.26 0.00 0.00 60.65 58.85 2kvc s ILE 60 Cb -0.05 -2.21 0.17 0.00 1.25 0.00 0.00 42.46 41.62 2kvc s ILE 60 CO -0.00 -0.27 1.10 -1.81 0.24 0.00 0.00 174.94 174.19 2kvc s ASP 61 N -3.09 6.79 -0.09 4.36 1.01 -1.26 -4.75 116.67 119.65 2kvc s ASP 61 Ca 0.30 -2.49 -0.02 0.00 0.71 0.00 0.00 52.55 51.05 2kvc s ASP 61 Cb 0.07 -2.34 -0.26 0.00 1.01 0.00 0.00 42.92 41.40 2kvc s ASP 61 CO 0.06 -0.83 0.50 0.40 0.21 0.00 0.00 175.17 175.51 2kvc h ILE 62 N 5.21 0.74 0.00 0.77 2.04 -1.99 -3.35 117.51 120.93 2kvc h ILE 62 Ca 0.18 -2.48 -0.00 0.00 1.00 0.00 0.00 64.86 63.56 2kvc h ILE 62 Cb 0.99 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2kvc h ILE 62 CO 1.04 0.79 -0.00 1.23 0.00 0.00 0.00 178.15 181.21 2kvc h GLY 63 N 1.71 0.00 0.89 5.37 0.00 -1.97 -2.01 103.07 107.06 2kvc h GLY 63 Ca -0.37 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.70 2kvc h GLY 63 CO 0.10 0.00 -1.15 -2.08 0.00 0.00 0.00 176.54 173.41 2kvc h VAL 64 N 0.00 1.36 -0.01 4.60 2.07 -1.94 -3.18 116.25 119.16 2kvc h VAL 64 Ca -0.00 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 2kvc h VAL 64 Cb 0.01 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2kvc h VAL 64 CO 0.00 0.76 -0.51 0.58 0.02 0.00 0.00 177.57 178.42 2kvc h VAL 65 N -0.16 1.36 0.00 2.57 2.07 -1.53 0.19 116.25 120.76 2kvc h VAL 65 Ca -0.21 -1.74 -0.07 0.00 0.82 0.00 0.00 66.70 65.50 2kvc h VAL 65 Cb 1.87 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 2kvc h VAL 65 CO 0.19 0.50 -0.36 0.16 0.02 0.00 0.00 177.57 178.08 2kvc h ILE 66 N 0.02 0.58 0.00 4.57 3.07 -1.52 -2.32 117.51 121.91 2kvc h ILE 66 Ca -0.00 -1.82 0.00 0.00 1.55 0.00 0.00 64.86 64.59 2kvc h ILE 66 Cb 0.91 2.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 2kvc h ILE 66 CO 0.07 0.33 -1.49 0.35 -1.05 0.00 0.00 178.15 176.36 2kvc n THR 67 N -3.18 0.26 -3.35 0.16 -2.24 -1.03 -4.70 114.28 100.20 2kvc n THR 67 Ca 0.02 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 2kvc n THR 67 Cb 0.67 -0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 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 -3.41 -0.55 0.20 4.78 5.65 0.65 -5.09 115.29 117.52 2kvc s HIS 68 Ca -0.04 -0.39 -0.31 0.00 0.25 0.00 0.00 55.06 54.57 2kvc s HIS 68 Cb 0.12 -0.34 -0.10 0.00 -1.18 0.00 0.00 32.58 31.09 2kvc s HIS 68 CO 0.85 -0.97 1.55 -0.06 -0.65 0.00 0.00 174.74 175.46 2kvc s PHE 69 N 1.89 3.01 1.15 3.88 0.40 -0.88 -4.16 117.98 123.26 2kvc s PHE 69 Ca 0.14 0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 57.00 2kvc s PHE 69 Cb -0.14 -3.93 0.27 0.00 0.51 0.00 0.00 43.02 39.73 2kvc s PHE 69 CO -0.16 -3.32 1.15 0.95 0.70 0.00 0.00 175.22 174.54 2kvc s THR 70 N 0.74 1.69 -0.23 0.64 -4.23 -1.24 -5.03 115.64 107.97 2kvc s THR 70 Ca 0.67 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 2kvc s THR 70 Cb -0.44 -2.59 -0.17 0.00 1.34 0.00 0.00 72.50 70.64 2kvc s THR 70 CO 0.36 0.00 -0.01 0.47 -0.54 0.00 0.00 174.62 174.90 2kvc n ASP 71 N -4.55 1.93 -0.49 3.99 8.00 -1.26 -4.40 116.55 119.77 2kvc n ASP 71 Ca 0.13 0.33 0.12 0.00 0.71 0.00 0.00 54.79 56.09 2kvc n ASP 71 Cb 0.59 -0.87 0.19 0.00 -0.02 0.00 0.00 41.12 41.01 2kvc n ASP 71 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kvc n GLU 72 N -4.20 1.33 -4.37 -1.24 4.07 -1.26 -4.89 120.64 110.08 2kvc n GLU 72 Ca -0.41 -0.99 -0.20 0.00 -0.06 0.00 0.00 57.16 55.49 2kvc n GLU 72 Cb 0.81 -1.48 -0.14 0.00 -0.06 0.00 0.00 31.44 30.58 2kvc n GLU 72 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2kvc s LEU 73 N -2.35 2.14 0.94 4.31 2.96 -1.26 -4.19 118.68 121.23 2kvc s LEU 73 Ca 0.24 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 2kvc s LEU 73 Cb 0.19 -0.58 0.15 0.00 0.50 0.00 0.00 46.19 46.46 2kvc s LEU 73 CO 0.49 0.04 1.10 -2.16 -1.32 0.00 0.00 176.35 174.50 2kvc s PRO 74 N -0.98 0.93 -0.08 0.98 0.04 -1.26 -3.72 135.00 130.92 2kvc s PRO 74 Ca 0.02 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 2kvc s PRO 74 Cb -0.07 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2kvc s PRO 74 CO 0.01 -2.39 0.31 -1.54 0.04 0.00 0.00 177.00 173.43 2kvc s SER 75 N -3.64 6.59 0.26 6.66 1.04 -1.26 -5.00 113.70 118.36 2kvc s SER 75 Ca 0.64 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 2kvc s SER 75 Cb -0.17 -2.19 0.51 0.00 0.10 0.00 0.00 66.02 64.27 2kvc s SER 75 CO 0.56 0.26 1.80 -0.65 0.98 0.00 0.00 173.24 176.19 2kvc h PRO 76 N 5.45 0.77 -0.43 4.02 0.11 -1.99 -0.90 132.00 139.03 2kvc h PRO 76 Ca -0.49 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 2kvc h PRO 76 Cb 1.20 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2kvc h PRO 76 CO 0.66 0.51 -0.09 0.93 -0.21 0.00 0.00 178.00 179.79 2kvc h GLU 77 N 0.79 0.76 -0.14 1.05 5.08 -1.99 -1.10 114.58 119.04 2kvc h GLU 77 Ca 0.46 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 58.37 2kvc h GLU 77 Cb 0.53 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kvc h GLU 77 CO -0.30 0.83 -0.73 -0.44 -1.00 0.00 0.00 179.01 177.38 2kvc h ASP 78 N 0.69 0.88 -0.61 1.42 5.19 -1.67 -0.88 116.42 121.44 2kvc h ASP 78 Ca 0.12 -0.64 -0.07 0.00 -0.62 0.00 0.00 57.03 55.82 2kvc h ASP 78 Cb 0.56 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2kvc h ASP 78 CO 0.03 1.37 0.10 -0.37 -3.12 0.00 0.00 179.24 177.26 2kvc h VAL 79 N 0.44 1.26 -0.40 -1.35 -1.51 -1.09 0.19 116.25 113.79 2kvc h VAL 79 Ca -0.05 -0.99 0.04 0.00 -1.23 0.00 0.00 66.70 64.47 2kvc h VAL 79 Cb 1.36 0.73 -0.04 0.00 -2.13 0.00 0.00 31.29 31.21 2kvc h VAL 79 CO 0.15 0.37 0.16 -0.08 -1.23 0.00 0.00 177.57 176.94 2kvc h GLU 80 N 0.91 0.33 0.39 5.19 4.81 -1.19 -0.63 114.58 124.37 2kvc h GLU 80 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2kvc h GLU 80 Cb 0.42 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2kvc h GLU 80 CO 0.01 0.22 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.15 2kvc h ARG 81 N 0.34 -0.62 -0.34 1.92 2.43 -0.58 -1.02 114.38 116.49 2kvc h ARG 81 Ca 0.18 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2kvc h ARG 81 Cb 0.13 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2kvc h ARG 81 CO -0.16 -0.42 0.16 -0.24 -1.51 0.00 0.00 179.97 177.80 2kvc h VAL 82 N -0.65 1.12 -0.35 0.20 3.04 -0.53 0.54 116.25 119.62 2kvc h VAL 82 Ca -0.04 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 2kvc h VAL 82 Cb 0.55 0.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 2kvc h VAL 82 CO 0.02 0.14 0.17 -0.09 -1.01 0.00 0.00 177.57 176.80 2kvc h ARG 83 N 0.48 0.51 -0.44 4.17 1.12 -0.82 0.23 114.38 119.64 2kvc h ARG 83 Ca 0.12 -0.08 -0.09 0.00 -1.11 0.00 0.00 59.98 58.82 2kvc h ARG 83 Cb 0.06 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2kvc h ARG 83 CO -0.02 0.46 -0.09 0.00 -3.11 0.00 0.00 179.97 177.21 2kvc h ALA 84 N 1.02 0.60 0.26 2.80 0.00 0.17 -2.46 119.26 121.65 2kvc h ALA 84 Ca 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kvc h ALA 84 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kvc h ALA 84 CO -0.01 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 179.48 2kvc h ARG 85 N 0.66 -0.49 0.00 0.00 2.47 0.29 -2.81 114.38 114.50 2kvc h ARG 85 Ca 0.11 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.80 2kvc h ARG 85 Cb 0.63 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 2kvc h ARG 85 CO 0.04 -0.33 -0.33 -0.07 0.56 0.00 0.00 179.97 179.84 2kvc h LEU 86 N -0.51 0.00 -2.43 3.04 -0.00 -1.01 -2.92 115.31 111.49 2kvc h LEU 86 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2kvc h LEU 86 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2kvc h LEU 86 CO -0.03 0.33 -0.02 0.00 -0.00 0.00 0.00 178.44 178.72 2kvc h ALA 87 N 1.67 1.39 0.00 1.53 0.00 -1.16 -0.47 119.26 122.21 2kvc h ALA 87 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2kvc h ALA 87 Cb 0.76 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kvc h ALA 87 CO 0.04 0.03 -0.39 0.00 0.00 0.00 0.00 179.25 178.94 2kvc h ALA 88 N 1.98 1.02 0.02 0.00 0.00 -1.53 -3.06 119.26 117.70 2kvc h ALA 88 Ca -0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 2kvc h ALA 88 Cb 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kvc h ALA 88 CO 0.00 0.48 -1.68 1.96 0.00 0.00 0.00 179.25 180.02 2kvc h GLN 89 N 0.00 0.05 0.00 0.00 7.50 -1.29 -3.50 115.11 117.87 2kvc h GLN 89 Ca -0.00 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.06 2kvc h GLN 89 Cb 0.88 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.44 2kvc h GLN 89 CO 0.05 0.66 0.00 0.41 -1.50 0.00 0.00 178.83 178.45 2kvc n GLY 90 N 1.60 1.63 2.65 3.46 0.00 -0.72 -5.08 105.19 108.73 2kvc n GLY 90 Ca -0.17 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.75 0.08 -2.02 1.61 -0.11 -1.26 -4.07 118.94 111.40 2kvc s TRP 91 Ca 0.00 -1.17 0.08 0.00 1.22 0.00 0.00 56.10 56.23 2kvc s TRP 91 Cb 0.00 -0.58 0.29 0.00 -1.50 0.00 0.00 33.47 31.68 2kvc s TRP 91 CO 0.00 -0.93 1.22 -0.35 -4.62 0.00 0.00 176.95 172.27 2kvc n PRO 92 N 4.05 1.44 -0.84 5.86 -0.05 -1.26 -4.11 135.00 140.08 2kvc n PRO 92 Ca 0.13 -0.68 -0.16 0.00 -0.05 0.00 0.00 63.50 62.74 2kvc n PRO 92 Cb 0.43 -1.18 0.06 0.00 -0.05 0.00 0.00 33.50 32.75 2kvc n PRO 92 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2kvc n LEU 93 N 0.02 6.07 0.00 1.53 4.77 -1.26 -4.88 117.00 123.25 2kvc n LEU 93 Ca 0.08 -3.14 -0.17 0.00 -0.03 0.00 0.00 56.01 52.76 2kvc n LEU 93 Cb 0.17 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2kvc n LEU 93 CO 0.06 1.11 0.06 -0.90 -1.33 0.00 0.00 177.39 176.39 2kvc n ASP 94 N 0.07 2.06 -4.14 -1.43 5.75 -1.26 -5.02 116.55 112.59 2kvc n ASP 94 Ca 0.32 -2.21 -0.20 0.00 -0.01 0.00 0.00 54.79 52.69 2kvc n ASP 94 Cb 0.74 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.64 2kvc n ASP 94 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2kvc s ASP 95 N -3.12 1.66 -0.19 -1.12 1.01 -1.26 -5.12 116.67 108.53 2kvc s ASP 95 Ca 0.22 -0.43 -0.25 0.00 0.71 0.00 0.00 52.55 52.81 2kvc s ASP 95 Cb -0.02 -0.12 -0.01 0.00 1.01 0.00 0.00 42.92 43.78 2kvc s ASP 95 CO 0.14 0.05 0.81 0.54 0.21 0.00 0.00 175.17 176.92 2kvc s VAL 96 N -0.77 4.89 -0.42 -1.27 0.11 -1.26 -5.02 120.40 116.66 2kvc s VAL 96 Ca 0.02 1.56 -0.23 0.00 -2.93 0.00 0.00 61.98 60.41 2kvc s VAL 96 Cb -0.07 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.69 2kvc s VAL 96 CO 0.01 0.02 0.77 -0.13 -3.33 0.00 0.00 175.10 172.44 2kvc s ARG 97 N 2.26 3.53 0.05 1.54 1.81 -1.26 -5.04 118.95 121.83 2kvc s ARG 97 Ca 0.36 0.02 -0.20 0.00 -1.72 0.00 0.00 55.73 54.20 2kvc s ARG 97 Cb -0.16 -3.89 -0.06 0.00 -0.45 0.00 0.00 34.95 30.38 2kvc s ARG 97 CO 0.11 -1.01 0.57 0.34 -0.68 0.00 0.00 175.30 174.63 2kvc s ASP 98 N 2.02 7.03 -0.30 0.23 2.15 -1.26 -5.05 116.67 121.50 2kvc s ASP 98 Ca 0.30 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.51 2kvc s ASP 98 Cb -0.13 -2.36 0.09 0.00 -0.30 0.00 0.00 42.92 40.23 2kvc s ASP 98 CO 0.20 0.23 0.06 -0.13 -0.17 0.00 0.00 175.17 175.36 2kvc s ARG 99 N -0.84 1.04 0.25 4.34 0.52 -1.26 -4.97 118.95 118.02 2kvc s ARG 99 Ca 0.29 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 2kvc s ARG 99 Cb -0.19 -2.39 0.29 0.00 0.52 0.00 0.00 34.95 33.19 2kvc s ARG 99 CO 0.18 -0.89 1.62 0.93 0.02 0.00 0.00 175.30 177.17 2kvc h GLU 100 N 7.96 0.44 -5.99 3.54 5.08 -2.06 -3.43 114.58 120.12 2kvc h GLU 100 Ca -0.12 -0.22 -0.69 0.00 -1.00 0.00 0.00 59.36 57.33 2kvc h GLU 100 Cb 1.03 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.99 2kvc h GLU 100 CO 0.46 0.78 -0.85 -1.21 -1.00 0.00 0.00 179.01 177.20 2kvc s GLU 101 N -4.19 2.65 -0.48 2.33 0.41 -1.26 -5.08 118.70 113.08 2kvc s GLU 101 Ca -0.06 -0.84 -0.24 0.00 -0.41 0.00 0.00 54.97 53.42 2kvc s GLU 101 Cb 0.13 -2.26 0.03 0.00 -1.78 0.00 0.00 34.13 30.24 2kvc s GLU 101 CO 0.81 0.41 0.87 -1.58 -0.49 0.00 0.00 175.26 175.27 2kvc s HIS 102 N -0.21 2.92 0.00 1.61 2.46 -1.26 -5.23 115.29 115.59 2kvc s HIS 102 Ca -0.02 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.71 2kvc s HIS 102 Cb -0.13 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 2kvc s HIS 102 CO 0.03 -1.11 0.20 0.00 -2.47 0.00 0.00 174.74 171.39