#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 6.41 -0.02 1.61 1.04 -1.26 -5.11 113.70 116.37 2kvc s SER 2 Ca 0.00 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.98 2kvc s SER 2 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2kvc s SER 2 CO 0.00 -0.15 0.05 -1.00 0.98 0.00 0.00 173.24 173.12 2kvc s HIS 3 N -2.03 -0.05 0.21 5.02 3.76 -1.26 -5.06 115.29 115.88 2kvc s HIS 3 Ca 0.41 0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 55.36 2kvc s HIS 3 Cb -0.11 0.02 0.28 0.00 1.11 0.00 0.00 32.58 33.88 2kvc s HIS 3 CO 0.30 -0.03 1.75 0.52 -0.85 0.00 0.00 174.74 176.43 2kvc h MET 4 N 6.05 0.43 -0.27 1.40 2.86 -1.99 -1.45 114.93 121.95 2kvc h MET 4 Ca -0.24 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.42 2kvc h MET 4 Cb 1.21 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.72 2kvc h MET 4 CO 0.48 0.29 -0.02 -0.97 1.06 0.00 0.00 176.91 177.75 2kvc h ASN 5 N 0.45 -0.14 0.21 1.22 -0.73 -1.99 0.18 115.58 114.77 2kvc h ASN 5 Ca 0.31 0.07 -0.19 0.00 1.87 0.00 0.00 56.30 58.36 2kvc h ASN 5 Cb 0.36 0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.07 2kvc h ASN 5 CO -0.29 -0.04 -0.73 0.03 -0.37 0.00 0.00 177.43 176.03 2kvc h ARG 6 N 0.06 0.45 -0.04 6.67 3.08 -1.92 -2.37 114.38 120.31 2kvc h ARG 6 Ca 0.13 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2kvc h ARG 6 Cb 0.18 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2kvc h ARG 6 CO -0.23 1.00 0.02 0.35 -1.07 0.00 0.00 179.97 180.03 2kvc h PHE 7 N 0.31 0.06 -0.62 3.04 3.57 -0.60 0.11 116.94 122.81 2kvc h PHE 7 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2kvc h PHE 7 Cb 1.31 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 2kvc h PHE 7 CO 0.05 0.15 0.39 -0.07 -2.23 0.00 0.00 178.31 176.60 2kvc h LEU 8 N -0.04 0.74 -1.18 0.59 3.38 -0.68 -0.47 115.31 117.65 2kvc h LEU 8 Ca 0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2kvc h LEU 8 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2kvc h LEU 8 CO -0.00 0.56 0.32 0.74 0.09 0.00 0.00 178.44 180.14 2kvc h THR 9 N 0.84 1.20 -0.59 0.22 2.02 -1.19 -0.20 112.91 115.22 2kvc h THR 9 Ca 0.23 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2kvc h THR 9 Cb -0.05 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2kvc h THR 9 CO -0.05 0.23 0.03 0.28 0.37 0.00 0.00 175.52 176.39 2kvc h SER 10 N 0.89 0.96 0.03 4.18 0.02 0.08 -0.64 113.55 119.07 2kvc h SER 10 Ca 0.22 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kvc h SER 10 Cb 0.07 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2kvc h SER 10 CO -0.03 1.00 -0.02 0.40 -1.14 0.00 0.00 176.83 177.04 2kvc h ILE 11 N 0.92 1.05 -0.32 3.27 1.08 -0.28 -0.03 117.51 123.20 2kvc h ILE 11 Ca 0.17 -0.27 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2kvc h ILE 11 Cb 0.49 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 2kvc h ILE 11 CO 0.02 0.07 -0.07 0.58 -0.69 0.00 0.00 178.15 178.06 2kvc h VAL 12 N -0.16 0.69 -0.35 1.67 2.07 -0.87 0.19 116.25 119.48 2kvc h VAL 12 Ca -0.00 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2kvc h VAL 12 Cb 0.15 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2kvc h VAL 12 CO 0.01 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.81 2kvc h ALA 13 N 1.32 0.44 -0.01 1.67 0.00 -1.02 -1.21 119.26 120.45 2kvc h ALA 13 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2kvc h ALA 13 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kvc h ALA 13 CO -0.33 -0.14 -0.10 2.35 0.00 0.00 0.00 179.25 181.04 2kvc h TRP 14 N 0.43 -0.25 -0.01 0.00 7.01 -0.34 0.17 115.95 122.97 2kvc h TRP 14 Ca 0.14 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.16 2kvc h TRP 14 Cb -0.00 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 2kvc h TRP 14 CO -0.07 -0.15 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.28 2kvc h LEU 15 N -0.16 -0.22 -0.58 0.65 3.38 -0.39 0.16 115.31 118.14 2kvc h LEU 15 Ca 0.04 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2kvc h LEU 15 Cb 0.22 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2kvc h LEU 15 CO -0.11 -0.11 -0.55 0.08 0.09 0.00 0.00 178.44 177.83 2kvc h ARG 16 N -0.13 0.46 0.00 1.13 0.11 -1.11 -2.49 114.38 112.35 2kvc h ARG 16 Ca 0.03 -0.29 -0.06 0.00 0.10 0.00 0.00 59.98 59.76 2kvc h ARG 16 Cb 0.17 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 2kvc h ARG 16 CO -0.08 0.89 -0.29 0.00 0.10 0.00 0.00 179.97 180.59 2kvc h ALA 17 N 1.05 1.40 -0.60 0.08 0.00 -0.41 -1.45 119.26 119.33 2kvc h ALA 17 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.72 2kvc h ALA 17 Cb 1.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2kvc h ALA 17 CO 0.10 0.36 0.40 0.78 0.00 0.00 0.00 179.25 180.88 2kvc h GLY 18 N 1.02 0.72 -6.42 0.00 0.00 -0.49 -3.35 103.07 94.55 2kvc h GLY 18 Ca -0.00 -0.23 -0.58 0.00 0.00 0.00 0.00 47.33 46.51 2kvc h GLY 18 CO 0.04 0.18 -0.93 -0.19 0.00 0.00 0.00 176.54 175.63 2kvc s TYR 19 N -5.53 0.92 -0.32 5.60 2.02 -0.56 -4.78 117.35 114.70 2kvc s TYR 19 Ca -0.09 -2.06 0.26 0.00 -0.37 0.00 0.00 57.07 54.81 2kvc s TYR 19 Cb 0.19 -0.89 1.11 0.00 -0.40 0.00 0.00 41.96 41.96 2kvc s TYR 19 CO 0.75 -0.83 1.78 -1.00 -1.57 0.00 0.00 175.55 174.68 2kvc h PRO 20 N 6.10 0.00 0.00 -1.71 0.13 -1.66 -1.48 132.00 133.38 2kvc h PRO 20 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kvc h PRO 20 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kvc h PRO 20 CO 0.33 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.49 2kvc n GLU 21 N -2.43 0.16 0.00 0.86 -0.58 -1.26 -5.02 120.64 112.37 2kvc n GLU 21 Ca 0.01 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2kvc n GLU 21 Cb 0.23 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kvc n GLY 22 N 1.11 2.37 3.40 0.62 0.00 -0.56 -4.97 105.19 107.17 2kvc n GLY 22 Ca 0.05 -1.85 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.63 5.16 0.76 -0.61 1.09 -1.21 -4.82 121.20 118.94 2kvc s ILE 23 Ca 0.00 -0.94 -0.14 0.00 -1.10 0.00 0.00 60.65 58.48 2kvc s ILE 23 Cb 0.00 -4.16 0.05 0.00 -1.06 0.00 0.00 42.46 37.30 2kvc s ILE 23 CO 0.00 -0.62 1.18 -2.16 -0.10 0.00 0.00 174.94 173.24 2kvc s PRO 24 N 1.85 2.02 0.00 2.79 0.04 -1.26 -4.38 135.00 136.05 2kvc s PRO 24 Ca 0.06 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2kvc s PRO 24 Cb -0.23 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2kvc s PRO 24 CO 0.08 -1.90 0.40 -2.30 0.04 0.00 0.00 177.00 173.32 2kvc n PRO 25 N -3.00 0.40 0.02 0.56 -0.02 -1.26 -2.74 135.00 128.95 2kvc n PRO 25 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2kvc n PRO 25 Cb 0.51 -1.30 -0.01 0.00 -0.02 0.00 0.00 33.50 32.68 2kvc n PRO 25 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2kvc n THR 26 N 0.79 1.27 0.30 3.45 -1.04 -1.26 -4.74 114.28 113.05 2kvc n THR 26 Ca 0.00 0.34 0.13 0.00 -2.04 0.00 0.00 64.05 62.48 2kvc n THR 26 Cb 0.20 -1.75 0.60 0.00 -1.82 0.00 0.00 70.33 67.57 2kvc n THR 26 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2kvc h ASP 27 N -0.21 0.00 -0.93 8.00 5.19 -1.88 -2.70 116.42 123.89 2kvc h ASP 27 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2kvc h ASP 27 Cb 0.23 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 2kvc h ASP 27 CO -0.00 0.00 0.61 0.28 -3.12 0.00 0.00 179.24 177.01 2kvc h SER 28 N 0.00 1.05 0.83 6.45 0.02 -1.84 0.39 113.55 120.45 2kvc h SER 28 Ca 0.00 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.72 2kvc h SER 28 Cb 0.22 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2kvc h SER 28 CO 0.00 0.75 -0.97 -0.26 -1.14 0.00 0.00 176.83 175.21 2kvc h PHE 29 N 1.24 0.12 -0.10 3.45 0.04 -1.81 -0.93 116.94 118.94 2kvc h PHE 29 Ca 0.35 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 2kvc h PHE 29 Cb -0.11 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 2kvc h PHE 29 CO -0.01 0.99 0.03 0.00 -0.60 0.00 0.00 178.31 178.72 2kvc h ALA 30 N 0.98 0.13 -0.60 2.45 0.00 -1.51 0.61 119.26 121.33 2kvc h ALA 30 Ca -0.03 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2kvc h ALA 30 Cb 1.67 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 2kvc h ALA 30 CO 0.13 -0.25 0.27 0.28 0.00 0.00 0.00 179.25 179.68 2kvc h VAL 31 N -0.02 0.85 -0.40 0.00 2.07 -0.17 0.01 116.25 118.58 2kvc h VAL 31 Ca 0.03 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2kvc h VAL 31 Cb 0.22 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2kvc h VAL 31 CO -0.00 0.09 -0.01 0.25 0.02 0.00 0.00 177.57 177.91 2kvc h LEU 32 N 0.48 -0.20 -0.90 2.57 5.85 -0.95 0.18 115.31 122.36 2kvc h LEU 32 Ca 0.29 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 2kvc h LEU 32 Cb 0.30 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2kvc h LEU 32 CO -0.25 -0.06 0.42 0.00 -0.34 0.00 0.00 178.44 178.21 2kvc h ALA 33 N 1.36 1.14 -0.05 1.25 0.00 0.38 -0.06 119.26 123.28 2kvc h ALA 33 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kvc h ALA 33 Cb 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kvc h ALA 33 CO -0.34 0.66 -0.09 -0.07 0.00 0.00 0.00 179.25 179.41 2kvc h LEU 34 N 1.20 0.16 -0.86 0.00 -0.00 -0.60 -3.32 115.31 111.88 2kvc h LEU 34 Ca 0.29 -0.56 -0.05 0.00 -0.00 0.00 0.00 57.88 57.56 2kvc h LEU 34 Cb 0.10 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 2kvc h LEU 34 CO -0.04 0.69 0.26 -0.07 -0.00 0.00 0.00 178.44 179.28 2kvc h LEU 35 N -0.37 1.02 -1.05 1.67 3.38 -0.47 -2.76 115.31 116.73 2kvc h LEU 35 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kvc h LEU 35 Cb 0.66 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kvc h LEU 35 CO 0.02 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.47 2kvc n ARG 37 N -2.23 0.16 -0.01 0.00 1.74 -1.04 -4.28 116.66 110.99 2kvc n ARG 37 Ca 0.00 -0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 56.95 2kvc n ARG 37 Cb 0.13 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.35 0.14 -4.08 5.56 0.00 -0.02 -5.06 116.66 111.85 2kvc n ARG 38 Ca 0.07 0.06 -0.29 0.00 -0.00 0.00 0.00 57.85 57.69 2kvc n ARG 38 Cb 0.33 -0.74 -0.07 0.00 0.00 0.00 0.00 32.46 31.98 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 -6.82 3.71 0.84 6.15 1.43 0.18 -5.12 118.68 119.06 2kvc s LEU 39 Ca -0.09 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2kvc s LEU 39 Cb 0.02 -2.39 0.17 0.00 0.03 0.00 0.00 46.19 44.02 2kvc s LEU 39 CO 0.12 0.15 1.15 -0.55 0.23 0.00 0.00 176.35 177.45 2kvc s SER 40 N -2.52 3.73 0.48 2.29 0.15 -1.26 -3.77 113.70 112.79 2kvc s SER 40 Ca 0.29 -0.10 0.14 0.00 0.70 0.00 0.00 55.95 56.98 2kvc s SER 40 Cb -0.12 -0.10 1.11 0.00 -1.71 0.00 0.00 66.02 65.20 2kvc s SER 40 CO 0.21 -2.30 2.07 1.12 1.20 0.00 0.00 173.24 175.54 2kvc h HIS 41 N -1.07 0.04 -0.29 3.44 2.07 -1.92 -0.98 115.15 116.44 2kvc h HIS 41 Ca -0.40 -0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.96 2kvc h HIS 41 Cb 1.25 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.21 2kvc h HIS 41 CO -0.68 0.11 -0.43 0.22 -3.07 0.00 0.00 177.93 174.08 2kvc h ASP 42 N 0.04 0.89 0.11 3.10 3.58 -1.97 -0.01 116.42 122.16 2kvc h ASP 42 Ca 0.01 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 2kvc h ASP 42 Cb 0.15 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2kvc h ASP 42 CO 0.01 1.23 -0.05 -0.33 -2.88 0.00 0.00 179.24 177.21 2kvc h GLU 43 N 0.58 -0.15 -0.19 0.28 3.07 -1.64 -0.20 114.58 116.33 2kvc h GLU 43 Ca 0.03 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 2kvc h GLU 43 Cb 1.03 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2kvc h GLU 43 CO 0.10 -0.08 -0.32 -0.39 -1.40 0.00 0.00 179.01 176.92 2kvc h VAL 44 N -0.18 1.28 -0.80 3.13 -1.51 -1.23 -0.46 116.25 116.49 2kvc h VAL 44 Ca -0.02 -1.37 -0.05 0.00 -1.23 0.00 0.00 66.70 64.03 2kvc h VAL 44 Cb 0.14 1.49 -0.04 0.00 -2.13 0.00 0.00 31.29 30.75 2kvc h VAL 44 CO 0.03 0.43 0.32 0.50 -1.23 0.00 0.00 177.57 177.61 2kvc h LYS 45 N 0.34 1.19 0.06 5.19 1.63 -0.81 -0.81 116.57 123.36 2kvc h LYS 45 Ca 0.04 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2kvc h LYS 45 Cb 0.74 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2kvc h LYS 45 CO 0.06 0.96 -0.03 0.00 -3.45 0.00 0.00 179.45 176.99 2kvc h ALA 46 N 1.18 -0.09 -0.58 5.00 0.00 -0.55 -2.67 119.26 121.56 2kvc h ALA 46 Ca 0.27 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2kvc h ALA 46 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kvc h ALA 46 CO -0.02 -0.28 0.02 -0.24 0.00 0.00 0.00 179.25 178.72 2kvc h VAL 47 N -0.62 1.26 -0.32 0.00 3.04 -1.06 0.18 116.25 118.72 2kvc h VAL 47 Ca -0.01 -1.09 -0.05 0.00 -1.01 0.00 0.00 66.70 64.54 2kvc h VAL 47 Cb 0.53 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2kvc h VAL 47 CO 0.01 0.39 0.01 0.00 -1.01 0.00 0.00 177.57 176.97 2kvc h ALA 48 N 1.10 0.43 -0.11 3.17 0.00 -1.25 -0.93 119.26 121.68 2kvc h ALA 48 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kvc h ALA 48 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kvc h ALA 48 CO 0.02 0.18 0.06 -0.97 0.00 0.00 0.00 179.25 178.55 2kvc h ASN 49 N 0.37 0.13 -0.18 0.00 -1.24 -1.23 -1.04 115.58 112.40 2kvc h ASN 49 Ca 0.09 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.09 2kvc h ASN 49 Cb 0.43 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 2kvc h ASN 49 CO 0.02 0.15 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.11 2kvc h GLU 50 N 0.10 -0.11 -0.58 6.67 4.57 -0.88 0.14 114.58 124.50 2kvc h GLU 50 Ca 0.04 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2kvc h GLU 50 Cb 0.04 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2kvc h GLU 50 CO -0.01 -0.07 0.19 1.25 -1.18 0.00 0.00 179.01 179.19 2kvc h LEU 51 N -0.11 0.84 -0.72 1.64 7.12 -0.98 0.21 115.31 123.31 2kvc h LEU 51 Ca 0.10 -0.20 -0.13 0.00 0.13 0.00 0.00 57.88 57.79 2kvc h LEU 51 Cb 0.27 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2kvc h LEU 51 CO -0.25 0.81 -0.40 0.24 -0.13 0.00 0.00 178.44 178.71 2kvc h MET 52 N 0.81 0.51 0.09 1.25 2.86 -0.99 -0.60 114.93 118.87 2kvc h MET 52 Ca 0.19 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2kvc h MET 52 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2kvc h MET 52 CO -0.01 0.83 -0.04 -0.09 1.06 0.00 0.00 176.91 178.65 2kvc h ARG 53 N 0.42 -0.12 -0.57 1.72 2.43 -0.15 -3.34 114.38 114.78 2kvc h ARG 53 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2kvc h ARG 53 Cb 0.89 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2kvc h ARG 53 CO 0.08 0.40 0.00 -0.11 -1.51 0.00 0.00 179.97 178.82 2kvc n LEU 54 N -4.87 3.75 0.00 3.80 7.94 0.69 -4.96 117.00 123.35 2kvc n LEU 54 Ca -0.08 -1.75 0.00 0.00 -1.11 0.00 0.00 56.01 53.07 2kvc n LEU 54 Cb 0.29 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2kvc n LEU 54 CO 0.29 0.87 0.00 0.61 -1.11 0.00 0.00 177.39 178.05 2kvc n GLY 55 N 1.60 4.11 3.58 -3.96 0.00 -0.23 -5.01 105.19 105.28 2kvc n GLY 55 Ca 0.22 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 2kvc n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kvc s ASP 56 N 1.44 4.45 0.00 1.61 -4.77 -1.24 -4.60 116.67 113.56 2kvc s ASP 56 Ca 0.00 -0.33 0.00 0.00 -3.30 0.00 0.00 52.55 48.92 2kvc s ASP 56 Cb 0.00 -0.90 0.00 0.00 -1.09 0.00 0.00 42.92 40.93 2kvc s ASP 56 CO 0.00 0.20 0.00 0.33 0.70 0.00 0.00 175.17 176.40 2kvc n PHE 57 N 0.91 0.00 0.00 2.11 -0.00 -1.26 -4.77 117.46 114.45 2kvc n PHE 57 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 2kvc n PHE 57 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 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 -0.29 0.00 -4.41 -2.13 -0.08 -1.26 -3.28 116.55 105.10 2kvc n ASP 58 Ca 0.00 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.84 2kvc n ASP 58 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 2kvc n ASP 58 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2kvc s GLN 59 N -1.44 3.33 0.25 -0.67 2.00 -1.26 -4.98 119.66 116.88 2kvc s GLN 59 Ca 0.00 -1.55 0.01 0.00 -2.00 0.00 0.00 55.36 51.82 2kvc s GLN 59 Cb 0.00 -4.51 -0.03 0.00 0.80 0.00 0.00 33.01 29.26 2kvc s GLN 59 CO 0.00 -1.64 0.20 0.96 -0.50 0.00 0.00 175.29 174.31 2kvc s ILE 60 N 2.58 0.00 -0.91 -2.34 -4.36 -1.26 -5.09 121.20 109.81 2kvc s ILE 60 Ca 0.22 -1.97 -0.23 0.00 -0.26 0.00 0.00 60.65 58.41 2kvc s ILE 60 Cb -0.14 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.14 2kvc s ILE 60 CO -0.01 0.00 1.29 -1.81 0.24 0.00 0.00 174.94 174.65 2kvc s ASP 61 N -3.23 6.44 -0.17 4.36 1.01 -1.26 -4.76 116.67 119.06 2kvc s ASP 61 Ca 0.39 -1.38 -0.13 0.00 0.71 0.00 0.00 52.55 52.14 2kvc s ASP 61 Cb 0.05 -2.51 -0.22 0.00 1.01 0.00 0.00 42.92 41.25 2kvc s ASP 61 CO 0.17 -1.45 0.23 -0.38 0.21 0.00 0.00 175.17 173.96 2kvc n ILE 62 N 6.36 1.65 -0.19 0.77 2.08 -1.26 -3.98 119.36 124.79 2kvc n ILE 62 Ca 0.22 -0.37 0.09 0.00 0.56 0.00 0.00 62.75 63.25 2kvc n ILE 62 Cb 0.50 -1.86 0.39 0.00 -0.75 0.00 0.00 39.64 37.92 2kvc n ILE 62 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2kvc h GLY 63 N 0.12 0.94 0.83 7.39 0.00 -1.99 -0.77 103.07 109.60 2kvc h GLY 63 Ca -0.42 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 2kvc h GLY 63 CO -0.08 0.16 0.00 -2.08 0.00 0.00 0.00 176.54 174.55 2kvc h VAL 64 N 0.67 1.14 -0.09 4.60 2.07 -1.94 -2.78 116.25 119.92 2kvc h VAL 64 Ca 0.34 -0.41 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 2kvc h VAL 64 Cb 0.45 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2kvc h VAL 64 CO -0.12 0.11 -0.75 0.58 0.02 0.00 0.00 177.57 177.41 2kvc h VAL 65 N -0.16 1.36 0.00 2.57 2.07 -1.50 0.56 116.25 121.15 2kvc h VAL 65 Ca 0.00 -2.11 -0.09 0.00 0.82 0.00 0.00 66.70 65.32 2kvc h VAL 65 Cb 0.17 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2kvc h VAL 65 CO -0.00 0.64 -0.43 0.16 0.02 0.00 0.00 177.57 177.96 2kvc h ILE 66 N 0.33 0.95 -0.01 4.57 3.07 -1.21 -2.89 117.51 122.32 2kvc h ILE 66 Ca -0.04 -1.70 0.00 0.00 1.55 0.00 0.00 64.86 64.67 2kvc h ILE 66 Cb 1.33 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 39.91 2kvc h ILE 66 CO 0.13 0.42 -0.47 0.35 -1.05 0.00 0.00 178.15 177.53 2kvc n THR 67 N -3.52 0.00 -3.35 0.16 -2.24 -1.05 -4.75 114.28 99.53 2kvc n THR 67 Ca -0.00 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 2kvc n THR 67 Cb 0.55 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 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 -2.14 -0.37 1.07 4.78 5.65 0.18 -5.07 115.29 119.39 2kvc s HIS 68 Ca 0.12 -0.76 -0.18 0.00 0.25 0.00 0.00 55.06 54.48 2kvc s HIS 68 Cb 0.13 -0.37 0.25 0.00 -1.18 0.00 0.00 32.58 31.41 2kvc s HIS 68 CO 0.50 -0.98 1.25 -0.06 -0.65 0.00 0.00 174.74 174.80 2kvc s PHE 69 N 1.46 1.00 0.34 3.88 0.40 -1.10 -4.14 117.98 119.82 2kvc s PHE 69 Ca 0.17 0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 2kvc s PHE 69 Cb -0.15 -3.91 -0.03 0.00 0.51 0.00 0.00 43.02 39.45 2kvc s PHE 69 CO -0.04 -3.23 0.21 -0.08 0.70 0.00 0.00 175.22 172.79 2kvc s THR 70 N -3.56 0.19 -0.03 0.64 -1.32 -1.25 -5.08 115.64 105.23 2kvc s THR 70 Ca 0.74 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 59.11 2kvc s THR 70 Cb -0.05 -2.46 -0.31 0.00 -1.51 0.00 0.00 72.50 68.17 2kvc s THR 70 CO 0.54 0.00 0.76 -0.78 -2.21 0.00 0.00 174.62 172.93 2kvc h ASP 71 N 2.09 0.63 -0.15 8.08 1.82 -1.99 -3.37 116.42 123.53 2kvc h ASP 71 Ca -0.30 -0.88 -0.16 0.00 -0.39 0.00 0.00 57.03 55.31 2kvc h ASP 71 Cb 1.25 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 41.06 2kvc h ASP 71 CO 0.45 1.73 -0.53 -0.33 -1.61 0.00 0.00 179.24 178.95 2kvc h GLU 72 N 0.11 0.62 -6.34 0.28 3.07 -2.06 -3.45 114.58 106.81 2kvc h GLU 72 Ca -0.31 -0.47 -0.60 0.00 -0.50 0.00 0.00 59.36 57.48 2kvc h GLU 72 Cb 2.10 0.09 -0.12 0.00 -0.84 0.00 0.00 28.75 29.98 2kvc h GLU 72 CO 0.20 1.09 -0.69 -0.51 -1.40 0.00 0.00 179.01 177.69 2kvc s LEU 73 N -8.62 3.06 0.82 1.33 1.02 -1.26 -4.37 118.68 110.66 2kvc s LEU 73 Ca -0.12 -0.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.30 2kvc s LEU 73 Cb 0.07 -1.68 0.08 0.00 0.02 0.00 0.00 46.19 44.68 2kvc s LEU 73 CO 0.85 0.06 1.11 -2.16 0.02 0.00 0.00 176.35 176.23 2kvc s PRO 74 N -3.17 1.94 0.01 1.29 0.04 -1.26 -3.96 135.00 129.89 2kvc s PRO 74 Ca 0.28 0.49 -0.07 0.00 0.04 0.00 0.00 61.00 61.73 2kvc s PRO 74 Cb -0.08 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2kvc s PRO 74 CO 0.17 -1.69 0.29 -1.12 0.04 0.00 0.00 177.00 174.69 2kvc s SER 75 N -4.04 6.53 0.24 6.66 0.01 -1.26 -4.98 113.70 116.85 2kvc s SER 75 Ca 0.61 0.61 -0.06 0.00 1.31 0.00 0.00 55.95 58.42 2kvc s SER 75 Cb -0.14 -2.11 0.32 0.00 0.21 0.00 0.00 66.02 64.30 2kvc s SER 75 CO 0.53 0.25 1.84 1.55 0.41 0.00 0.00 173.24 177.82 2kvc h PRO 76 N 4.01 0.87 -0.90 12.44 0.13 -1.98 0.15 132.00 146.72 2kvc h PRO 76 Ca -0.50 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2kvc h PRO 76 Cb 1.20 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 2kvc h PRO 76 CO 0.66 0.58 0.59 1.05 -0.23 0.00 0.00 178.00 180.65 2kvc h GLU 77 N 0.90 1.17 0.10 0.86 4.11 -1.98 0.13 114.58 119.86 2kvc h GLU 77 Ca 0.36 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.72 2kvc h GLU 77 Cb 0.19 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2kvc h GLU 77 CO -0.18 0.77 -0.05 0.22 0.07 0.00 0.00 179.01 179.84 2kvc h ASP 78 N 1.20 -0.11 -0.52 3.06 3.58 -1.69 -0.88 116.42 121.06 2kvc h ASP 78 Ca 0.34 -0.24 0.08 0.00 0.42 0.00 0.00 57.03 57.63 2kvc h ASP 78 Cb -0.11 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 40.90 2kvc h ASP 78 CO -0.08 0.18 0.15 0.58 -2.88 0.00 0.00 179.24 177.19 2kvc h VAL 79 N -0.42 0.76 -0.04 2.25 2.07 -0.52 -1.15 116.25 119.20 2kvc h VAL 79 Ca -0.01 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 2kvc h VAL 79 Cb 0.35 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2kvc h VAL 79 CO 0.02 0.05 -0.45 -0.08 0.02 0.00 0.00 177.57 177.14 2kvc h GLU 80 N 0.30 0.08 0.09 1.57 4.81 -0.68 -0.49 114.58 120.26 2kvc h GLU 80 Ca 0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2kvc h GLU 80 Cb 0.32 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2kvc h GLU 80 CO -0.30 0.51 -0.04 0.00 -0.73 0.00 0.00 179.01 178.45 2kvc h ARG 81 N 0.07 -0.12 -0.22 1.92 2.47 -0.21 -0.87 114.38 117.42 2kvc h ARG 81 Ca 0.00 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 2kvc h ARG 81 Cb 0.82 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2kvc h ARG 81 CO 0.06 0.17 -0.05 -0.24 0.56 0.00 0.00 179.97 180.47 2kvc h VAL 82 N -0.41 1.17 0.27 2.04 3.04 -1.14 -1.23 116.25 119.99 2kvc h VAL 82 Ca -0.01 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2kvc h VAL 82 Cb 0.35 1.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.66 2kvc h VAL 82 CO 0.02 0.23 -0.32 -0.09 -1.01 0.00 0.00 177.57 176.39 2kvc h ARG 83 N 0.32 -0.62 -0.41 4.17 2.43 -0.87 0.13 114.38 119.53 2kvc h ARG 83 Ca 0.07 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2kvc h ARG 83 Cb 0.31 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2kvc h ARG 83 CO 0.01 -0.41 0.26 0.00 -1.51 0.00 0.00 179.97 178.32 2kvc h ALA 84 N -0.09 0.52 0.12 2.80 0.00 -0.68 -0.15 119.26 121.77 2kvc h ALA 84 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kvc h ALA 84 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kvc h ALA 84 CO -0.09 -0.05 -0.06 -0.09 0.00 0.00 0.00 179.25 178.96 2kvc h ARG 85 N 0.53 -0.16 -0.37 0.00 9.65 -1.13 -3.14 114.38 119.77 2kvc h ARG 85 Ca 0.15 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.93 2kvc h ARG 85 Cb -0.04 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2kvc h ARG 85 CO -0.05 0.06 -0.25 -0.07 2.80 0.00 0.00 179.97 182.46 2kvc h LEU 86 N -0.36 0.77 -2.52 3.80 -0.00 -0.65 -2.80 115.31 113.54 2kvc h LEU 86 Ca -0.02 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2kvc h LEU 86 Cb 0.29 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2kvc h LEU 86 CO 0.03 0.98 -0.01 0.00 -0.00 0.00 0.00 178.44 179.44 2kvc h ALA 87 N 1.07 1.43 0.00 1.53 0.00 -1.02 -0.35 119.26 121.92 2kvc h ALA 87 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2kvc h ALA 87 Cb 0.76 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kvc h ALA 87 CO 0.06 0.01 -0.34 0.00 0.00 0.00 0.00 179.25 178.98 2kvc h ALA 88 N 1.99 1.28 0.00 0.00 0.00 -1.45 -2.70 119.26 118.39 2kvc h ALA 88 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kvc h ALA 88 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kvc h ALA 88 CO 0.00 0.42 -1.19 1.04 0.00 0.00 0.00 179.25 179.52 2kvc n GLN 89 N -3.91 0.30 0.00 0.00 3.00 -0.21 -5.05 117.38 111.52 2kvc n GLN 89 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2kvc n GLN 89 Cb 0.40 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.07 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 1.37 3.20 3.00 1.08 0.00 -0.79 -5.02 105.19 108.03 2kvc n GLY 90 Ca 0.01 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 -1.13 -2.13 1.61 -0.11 -1.26 -3.48 118.94 110.44 2kvc s TRP 91 Ca 0.00 -0.08 0.26 0.00 1.22 0.00 0.00 56.10 57.50 2kvc s TRP 91 Cb 0.00 -0.01 1.40 0.00 -1.50 0.00 0.00 33.47 33.36 2kvc s TRP 91 CO 0.00 -1.07 1.92 -0.35 -4.62 0.00 0.00 176.95 172.83 2kvc n PRO 92 N 4.53 1.22 -1.83 5.86 -0.04 -1.26 -4.42 135.00 139.06 2kvc n PRO 92 Ca 0.09 -0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 62.83 2kvc n PRO 92 Cb 0.51 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.56 7.85 -3.96 1.53 4.77 -1.26 -4.84 117.00 120.53 2kvc n LEU 93 Ca 0.19 -4.60 -0.29 0.00 -0.03 0.00 0.00 56.01 51.28 2kvc n LEU 93 Cb 0.17 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 39.62 2kvc n LEU 93 CO 0.15 1.82 -0.45 -0.62 -1.33 0.00 0.00 177.39 176.95 2kvc s ASP 94 N 1.34 3.00 0.13 -1.43 2.15 -1.26 -5.12 116.67 115.48 2kvc s ASP 94 Ca 0.55 -0.70 -0.13 0.00 0.43 0.00 0.00 52.55 52.70 2kvc s ASP 94 Cb 0.16 -1.10 -0.07 0.00 -0.30 0.00 0.00 42.92 41.61 2kvc s ASP 94 CO -0.06 -0.14 0.51 -0.62 -0.17 0.00 0.00 175.17 174.69 2kvc s ASP 95 N 1.51 6.76 -0.05 -0.34 2.15 -1.26 -5.08 116.67 120.36 2kvc s ASP 95 Ca 0.01 0.99 0.01 0.00 0.43 0.00 0.00 52.55 53.99 2kvc s ASP 95 Cb -0.15 -2.25 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 2kvc s ASP 95 CO -0.09 0.11 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.28 2kvc s VAL 96 N -1.47 0.62 0.47 1.11 1.01 -1.26 -5.15 120.40 115.72 2kvc s VAL 96 Ca 0.37 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2kvc s VAL 96 Cb -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2kvc s VAL 96 CO 0.19 0.24 0.68 0.00 0.00 0.00 0.00 175.10 176.21 2kvc s ARG 97 N 0.88 2.85 0.33 2.72 1.70 -1.26 -5.09 118.95 121.07 2kvc s ARG 97 Ca -0.12 -0.73 -0.11 0.00 -0.47 0.00 0.00 55.73 54.31 2kvc s ARG 97 Cb -0.15 -2.58 -0.07 0.00 -0.57 0.00 0.00 34.95 31.58 2kvc s ARG 97 CO 0.01 -0.40 0.69 -0.51 -1.08 0.00 0.00 175.30 174.00 2kvc s ASP 98 N -4.30 6.62 -0.50 -2.89 1.01 -1.26 -5.03 116.67 110.32 2kvc s ASP 98 Ca 0.52 1.09 0.07 0.00 0.71 0.00 0.00 52.55 54.94 2kvc s ASP 98 Cb -0.10 -2.30 0.26 0.00 1.01 0.00 0.00 42.92 41.79 2kvc s ASP 98 CO 0.37 -0.24 0.65 0.54 0.21 0.00 0.00 175.17 176.70 2kvc n ARG 99 N -0.68 1.59 -2.75 8.23 1.74 -1.26 -5.02 116.66 118.51 2kvc n ARG 99 Ca 0.02 -3.89 -0.43 0.00 -0.77 0.00 0.00 57.85 52.77 2kvc n ARG 99 Cb 0.53 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kvc n GLU 100 N 0.99 3.30 -4.31 5.56 2.13 -1.26 -4.92 120.64 122.13 2kvc n GLU 100 Ca 0.25 -3.58 -0.17 0.00 0.66 0.00 0.00 57.16 54.33 2kvc n GLU 100 Cb 0.49 -3.23 -0.10 0.00 0.27 0.00 0.00 31.44 28.87 2kvc n GLU 100 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2kvc s GLU 101 N 2.64 1.24 -0.24 5.31 -1.05 -1.26 -5.16 118.70 120.18 2kvc s GLU 101 Ca 0.47 -1.56 -0.18 0.00 -0.15 0.00 0.00 54.97 53.55 2kvc s GLU 101 Cb 0.01 -0.85 0.07 0.00 -0.44 0.00 0.00 34.13 32.91 2kvc s GLU 101 CO 0.03 0.09 0.61 -3.38 0.95 0.00 0.00 175.26 173.56 2kvc s HIS 102 N -3.18 -0.79 -1.21 4.83 -3.43 -1.26 -5.32 115.29 104.93 2kvc s HIS 102 Ca 0.21 1.75 0.10 0.00 -0.80 0.00 0.00 55.06 56.32 2kvc s HIS 102 Cb 0.02 0.36 0.08 0.00 -1.43 0.00 0.00 32.58 31.60 2kvc s HIS 102 CO 0.05 -0.39 0.81 0.00 -2.00 0.00 0.00 174.74 173.20