#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 6.45 0.33 1.61 0.15 -1.26 -4.99 113.70 115.99 2kvc s SER 2 Ca 0.00 1.29 0.04 0.00 0.70 0.00 0.00 55.95 57.98 2kvc s SER 2 Cb 0.00 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 2kvc s SER 2 CO 0.00 -1.26 0.06 -1.00 1.20 0.00 0.00 173.24 172.24 2kvc s HIS 3 N 5.05 2.00 0.12 3.44 3.76 -1.26 -5.07 115.29 123.34 2kvc s HIS 3 Ca 0.64 -0.94 -0.14 0.00 -0.15 0.00 0.00 55.06 54.47 2kvc s HIS 3 Cb -0.19 -1.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 2kvc s HIS 3 CO 0.28 0.03 1.53 1.98 -0.85 0.00 0.00 174.74 177.71 2kvc h MET 4 N 2.08 0.74 -0.79 1.40 4.05 -2.02 -3.17 114.93 117.23 2kvc h MET 4 Ca -0.41 -0.28 0.03 0.00 -0.28 0.00 0.00 59.70 58.76 2kvc h MET 4 Cb 1.24 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.95 2kvc h MET 4 CO 0.70 0.88 0.51 -0.97 0.23 0.00 0.00 176.91 178.26 2kvc h ASN 5 N 0.55 0.84 0.30 1.39 -0.73 -1.99 -2.26 115.58 113.68 2kvc h ASN 5 Ca 0.10 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 2kvc h ASN 5 Cb 0.60 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2kvc h ASN 5 CO 0.04 0.58 -0.20 0.08 -0.37 0.00 0.00 177.43 177.56 2kvc h ARG 6 N 0.99 0.00 0.00 6.67 -0.00 -1.93 0.90 114.38 121.01 2kvc h ARG 6 Ca 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.29 2kvc h ARG 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2kvc h ARG 6 CO -0.11 0.20 -0.00 0.35 -0.00 0.00 0.00 179.97 180.41 2kvc h PHE 7 N 0.00 -0.00 -0.82 4.08 3.57 -1.46 -2.19 116.94 120.11 2kvc h PHE 7 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2kvc h PHE 7 Cb 0.40 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2kvc h PHE 7 CO 0.00 0.64 0.40 -0.07 -2.23 0.00 0.00 178.31 177.05 2kvc h LEU 8 N -0.65 1.07 -0.88 0.59 3.38 -1.22 -1.20 115.31 116.40 2kvc h LEU 8 Ca -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2kvc h LEU 8 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2kvc h LEU 8 CO 0.00 0.90 0.42 0.74 0.09 0.00 0.00 178.44 180.59 2kvc h THR 9 N 1.16 1.26 -0.15 0.22 2.02 -0.86 0.14 112.91 116.70 2kvc h THR 9 Ca 0.28 -0.72 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 2kvc h THR 9 Cb 0.10 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2kvc h THR 9 CO -0.04 0.31 -0.65 0.77 0.37 0.00 0.00 175.52 176.29 2kvc h SER 10 N 1.22 0.66 -0.27 4.18 4.64 -1.03 0.14 113.55 123.09 2kvc h SER 10 Ca 0.30 -0.39 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2kvc h SER 10 Cb 0.10 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2kvc h SER 10 CO -0.04 1.13 0.17 0.40 -0.87 0.00 0.00 176.83 177.62 2kvc h ILE 11 N 0.42 1.04 -0.89 0.95 1.08 -0.86 -1.00 117.51 118.25 2kvc h ILE 11 Ca -0.01 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 2kvc h ILE 11 Cb 1.22 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.58 2kvc h ILE 11 CO 0.12 0.06 0.56 0.58 -0.69 0.00 0.00 178.15 178.78 2kvc h VAL 12 N 0.34 1.08 -0.35 1.67 2.07 -0.50 -0.08 116.25 120.48 2kvc h VAL 12 Ca 0.11 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2kvc h VAL 12 Cb -0.01 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 2kvc h VAL 12 CO -0.04 0.19 0.15 0.00 0.02 0.00 0.00 177.57 177.89 2kvc h ALA 13 N 1.40 0.42 -0.20 1.67 0.00 -0.18 0.36 119.26 122.72 2kvc h ALA 13 Ca 0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2kvc h ALA 13 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kvc h ALA 13 CO -0.15 -0.23 0.13 2.35 0.00 0.00 0.00 179.25 181.35 2kvc h TRP 14 N 0.32 0.25 -0.29 0.00 7.01 -0.66 0.16 115.95 122.74 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 0.09 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2kvc h TRP 14 CO -0.11 0.16 0.17 -0.07 -2.79 0.00 0.00 178.44 175.79 2kvc h LEU 15 N 0.27 0.36 -0.90 0.65 3.38 -0.51 -0.22 115.31 118.33 2kvc h LEU 15 Ca 0.07 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2kvc h LEU 15 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2kvc h LEU 15 CO -0.02 0.32 -0.54 0.08 0.09 0.00 0.00 178.44 178.37 2kvc h ARG 16 N 0.37 0.02 -0.32 1.13 0.11 -0.21 -1.76 114.38 113.72 2kvc h ARG 16 Ca 0.10 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.13 2kvc h ARG 16 Cb 0.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 2kvc h ARG 16 CO -0.02 0.56 0.01 0.00 0.10 0.00 0.00 179.97 180.62 2kvc h ALA 17 N 1.44 1.43 0.00 0.08 0.00 -0.17 -0.70 119.26 121.34 2kvc h ALA 17 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2kvc h ALA 17 Cb 0.96 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kvc h ALA 17 CO 0.07 0.41 -0.30 0.78 0.00 0.00 0.00 179.25 180.20 2kvc h GLY 18 N 0.79 0.00 -6.02 0.00 0.00 -0.18 -3.38 103.07 94.27 2kvc h GLY 18 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.94 2kvc h GLY 18 CO 0.01 0.00 -0.89 -1.72 0.00 0.00 0.00 176.54 173.94 2kvc n TYR 19 N -4.03 -1.50 0.92 5.60 4.01 -0.40 -4.90 117.16 116.87 2kvc n TYR 19 Ca -0.02 -2.92 0.10 0.00 -0.16 0.00 0.00 57.90 54.90 2kvc n TYR 19 Cb 0.36 0.47 0.49 0.00 -0.31 0.00 0.00 39.34 40.35 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 2.66 0.27 -0.10 -0.72 -0.04 -0.42 -1.53 135.00 135.11 2kvc n PRO 20 Ca 0.26 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2kvc n PRO 20 Cb 0.51 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.30 2.30 0.00 0.54 0.28 -1.26 -5.05 120.64 116.16 2kvc n GLU 21 Ca 0.09 -1.94 0.00 0.00 -0.16 0.00 0.00 57.16 55.15 2kvc n GLU 21 Cb 0.16 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.55 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 1.39 -0.62 3.65 -1.84 0.00 -0.58 -4.93 105.19 102.26 2kvc n GLY 22 Ca 0.17 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.51 4.33 0.70 -0.61 1.01 -0.23 -4.93 121.20 119.95 2kvc s ILE 23 Ca 0.00 1.56 -0.16 0.00 0.00 0.00 0.00 60.65 62.05 2kvc s ILE 23 Cb 0.00 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2kvc s ILE 23 CO 0.00 -0.28 1.23 -2.84 0.00 0.00 0.00 174.94 173.05 2kvc s PRO 24 N 3.67 2.30 0.51 2.79 0.02 -1.26 -3.12 135.00 139.92 2kvc s PRO 24 Ca 0.52 1.85 0.18 0.00 0.02 0.00 0.00 61.00 63.58 2kvc s PRO 24 Cb -0.18 -1.84 1.28 0.00 0.02 0.00 0.00 34.50 33.78 2kvc s PRO 24 CO 0.16 -1.73 2.09 -1.00 -0.33 0.00 0.00 177.00 176.19 2kvc h PRO 25 N 0.02 0.04 0.46 5.54 0.13 -1.95 -2.72 132.00 133.52 2kvc h PRO 25 Ca -0.49 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2kvc h PRO 25 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kvc h PRO 25 CO 0.51 0.03 -0.22 1.15 -0.23 0.00 0.00 178.00 179.23 2kvc h THR 26 N 0.04 0.39 0.00 1.56 2.02 -2.03 -3.23 112.91 111.66 2kvc h THR 26 Ca 0.09 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2kvc h THR 26 Cb 0.32 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2kvc h THR 26 CO -0.01 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.05 2kvc n ASP 27 N -5.23 0.00 -0.20 4.18 5.75 -1.10 -2.59 116.55 117.36 2kvc n ASP 27 Ca -0.10 -0.50 -0.02 0.00 -0.01 0.00 0.00 54.79 54.15 2kvc n ASP 27 Cb 0.30 -0.14 0.19 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.00 0.88 1.14 -1.12 0.02 -1.51 -0.45 113.55 112.51 2kvc h SER 28 Ca 0.00 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2kvc h SER 28 Cb 0.13 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2kvc h SER 28 CO 0.00 0.75 -0.57 -0.26 -1.14 0.00 0.00 176.83 175.61 2kvc h PHE 29 N 0.97 0.00 -0.30 3.45 0.04 -1.67 -1.09 116.94 118.34 2kvc h PHE 29 Ca 0.24 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 2kvc h PHE 29 Cb 0.10 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 2kvc h PHE 29 CO 0.01 0.57 -0.10 0.00 -0.60 0.00 0.00 178.31 178.19 2kvc h ALA 30 N 1.43 0.42 -0.54 2.45 0.00 -1.56 0.17 119.26 121.63 2kvc h ALA 30 Ca -0.01 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2kvc h ALA 30 Cb 1.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2kvc h ALA 30 CO 0.07 0.27 0.22 0.28 0.00 0.00 0.00 179.25 180.10 2kvc h VAL 31 N 0.36 0.85 -0.48 0.00 2.07 -0.89 -0.89 116.25 117.28 2kvc h VAL 31 Ca 0.07 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.54 2kvc h VAL 31 Cb 0.61 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2kvc h VAL 31 CO 0.04 0.08 0.01 0.25 0.02 0.00 0.00 177.57 177.97 2kvc h LEU 32 N 0.42 -0.17 -0.34 2.57 5.85 -0.95 0.79 115.31 123.47 2kvc h LEU 32 Ca 0.25 0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.11 2kvc h LEU 32 Cb 0.25 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2kvc h LEU 32 CO -0.23 -0.05 0.17 0.00 -0.34 0.00 0.00 178.44 177.99 2kvc h ALA 33 N 1.42 0.41 -0.27 1.25 0.00 0.22 0.25 119.26 122.55 2kvc h ALA 33 Ca 0.24 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2kvc h ALA 33 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kvc h ALA 33 CO -0.39 -0.19 -0.14 -0.07 0.00 0.00 0.00 179.25 178.45 2kvc h LEU 34 N 0.36 0.59 -1.08 0.00 -0.00 -0.89 -3.12 115.31 111.18 2kvc h LEU 34 Ca 0.14 -0.42 -0.09 0.00 -0.00 0.00 0.00 57.88 57.51 2kvc h LEU 34 Cb 0.04 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 2kvc h LEU 34 CO -0.09 0.88 -0.34 -0.07 -0.00 0.00 0.00 178.44 178.82 2kvc h LEU 35 N 0.31 0.21 -1.29 1.67 3.38 -0.60 -2.51 115.31 116.48 2kvc h LEU 35 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kvc h LEU 35 Cb 0.66 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kvc h LEU 35 CO 0.04 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.12 2kvc n ARG 37 N -2.54 1.80 -0.04 0.00 1.74 -0.95 -4.28 116.66 112.40 2kvc n ARG 37 Ca 0.00 -1.28 -0.06 0.00 -0.77 0.00 0.00 57.85 55.74 2kvc n ARG 37 Cb 0.19 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.52 0.17 -4.33 5.56 3.00 -0.02 -5.08 116.66 116.48 2kvc n ARG 38 Ca 0.16 0.05 -0.17 0.00 -0.00 0.00 0.00 57.85 57.89 2kvc n ARG 38 Cb 0.45 -0.99 -0.10 0.00 0.00 0.00 0.00 32.46 31.82 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 -5.81 2.18 0.72 6.15 1.43 0.19 -5.12 118.68 118.42 2kvc s LEU 39 Ca -0.10 -1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2kvc s LEU 39 Cb 0.03 -0.27 0.13 0.00 0.03 0.00 0.00 46.19 46.12 2kvc s LEU 39 CO 0.15 -0.52 1.00 -0.55 0.23 0.00 0.00 176.35 176.65 2kvc s SER 40 N -3.31 4.32 0.44 2.29 0.15 -1.26 -3.89 113.70 112.45 2kvc s SER 40 Ca 0.29 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.65 2kvc s SER 40 Cb 0.06 0.08 1.05 0.00 -1.71 0.00 0.00 66.02 65.49 2kvc s SER 40 CO 0.09 -1.88 1.98 1.12 1.20 0.00 0.00 173.24 175.75 2kvc h HIS 41 N -0.52 0.41 0.01 3.44 2.07 -1.93 -0.99 115.15 117.64 2kvc h HIS 41 Ca -0.35 0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 56.96 2kvc h HIS 41 Cb 1.27 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 31.11 2kvc h HIS 41 CO -0.20 0.19 -0.95 0.22 -3.07 0.00 0.00 177.93 174.12 2kvc h ASP 42 N 0.38 0.44 -0.26 3.10 3.58 -1.96 0.08 116.42 121.79 2kvc h ASP 42 Ca 0.27 -0.37 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2kvc h ASP 42 Cb 0.56 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2kvc h ASP 42 CO -0.07 1.18 -0.02 -0.33 -2.88 0.00 0.00 179.24 177.11 2kvc h GLU 43 N 0.18 0.47 -0.14 0.28 3.07 -1.64 0.12 114.58 116.92 2kvc h GLU 43 Ca -0.07 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.53 2kvc h GLU 43 Cb 1.59 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 2kvc h GLU 43 CO 0.16 0.66 -0.34 -0.39 -1.40 0.00 0.00 179.01 177.69 2kvc h VAL 44 N 0.23 1.28 -0.77 3.13 -1.51 -1.23 0.04 116.25 117.43 2kvc h VAL 44 Ca 0.07 -1.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 2kvc h VAL 44 Cb 0.46 1.56 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 2kvc h VAL 44 CO 0.02 0.41 0.45 0.50 -1.23 0.00 0.00 177.57 177.72 2kvc h LYS 45 N 0.24 1.05 -0.11 5.19 3.11 -0.77 -0.54 116.57 124.74 2kvc h LYS 45 Ca 0.03 -0.10 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 2kvc h LYS 45 Cb 0.72 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2kvc h LYS 45 CO 0.05 0.75 -0.06 0.00 -2.81 0.00 0.00 179.45 177.39 2kvc h ALA 46 N 1.24 0.15 -0.24 5.00 0.00 -0.27 -1.94 119.26 123.19 2kvc h ALA 46 Ca 0.27 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kvc h ALA 46 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kvc h ALA 46 CO -0.05 -0.07 -0.19 -0.24 0.00 0.00 0.00 179.25 178.71 2kvc h VAL 47 N -0.13 1.24 -0.26 0.00 3.04 -0.94 0.18 116.25 119.37 2kvc h VAL 47 Ca 0.02 -1.10 -0.05 0.00 -1.01 0.00 0.00 66.70 64.57 2kvc h VAL 47 Cb 0.52 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 2kvc h VAL 47 CO 0.02 0.35 -0.02 0.00 -1.01 0.00 0.00 177.57 176.91 2kvc h ALA 48 N 1.41 0.36 -0.51 3.17 0.00 -1.09 0.21 119.26 122.81 2kvc h ALA 48 Ca 0.07 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kvc h ALA 48 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2kvc h ALA 48 CO 0.04 0.12 0.31 -0.97 0.00 0.00 0.00 179.25 178.75 2kvc h ASN 49 N 0.25 0.52 0.01 0.00 -0.00 -0.94 0.10 115.58 115.52 2kvc h ASN 49 Ca 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2kvc h ASN 49 Cb 0.46 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.66 2kvc h ASN 49 CO 0.02 0.37 -0.01 -0.08 -0.00 0.00 0.00 177.43 177.73 2kvc h GLU 50 N 0.63 -0.02 -0.29 6.67 4.57 -0.87 -1.86 114.58 123.42 2kvc h GLU 50 Ca 0.20 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2kvc h GLU 50 Cb -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2kvc h GLU 50 CO -0.07 0.15 -0.10 1.25 -1.18 0.00 0.00 179.01 179.06 2kvc h LEU 51 N -0.18 0.46 -0.96 1.64 5.85 -0.75 -0.59 115.31 120.79 2kvc h LEU 51 Ca -0.00 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2kvc h LEU 51 Cb 0.17 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2kvc h LEU 51 CO 0.00 0.60 -0.03 0.24 -0.34 0.00 0.00 178.44 178.91 2kvc h MET 52 N 0.45 0.72 0.00 1.25 2.86 -0.88 -2.80 114.93 116.53 2kvc h MET 52 Ca 0.09 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2kvc h MET 52 Cb 0.45 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2kvc h MET 52 CO 0.02 0.76 -0.22 -0.09 1.06 0.00 0.00 176.91 178.45 2kvc h ARG 53 N 0.67 0.00 0.00 1.72 2.43 -0.25 -1.33 114.38 117.62 2kvc h ARG 53 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2kvc h ARG 53 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2kvc h ARG 53 CO 0.02 0.22 -0.20 1.28 -1.51 0.00 0.00 179.97 179.77 2kvc n LEU 54 N -4.14 0.76 0.00 3.80 4.77 -0.92 -4.94 117.00 116.34 2kvc n LEU 54 Ca -0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2kvc n LEU 54 Cb 0.28 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2kvc n LEU 54 CO 0.36 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2kvc n GLY 55 N 1.32 0.59 0.74 -0.72 0.00 -0.50 -4.94 105.19 101.68 2kvc n GLY 55 Ca 0.05 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 1.33 3.51 -3.98 1.61 8.00 -1.14 -4.89 116.55 121.00 2kvc n ASP 56 Ca 0.00 -2.82 -0.21 0.00 0.71 0.00 0.00 54.79 52.47 2kvc n ASP 56 Cb 0.00 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 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 -2.46 1.00 0.40 1.24 2.19 -1.24 -1.07 117.98 118.04 2kvc s PHE 57 Ca 0.37 -0.29 -0.25 0.00 0.33 0.00 0.00 56.93 57.08 2kvc s PHE 57 Cb 0.29 -0.76 -0.09 0.00 -1.31 0.00 0.00 43.02 41.15 2kvc s PHE 57 CO 0.09 -0.16 1.15 0.34 1.83 0.00 0.00 175.22 178.47 2kvc s ASP 58 N 0.50 6.58 -1.18 6.13 -1.08 -1.18 -4.77 116.67 121.66 2kvc s ASP 58 Ca -0.08 2.30 -0.19 0.00 -0.52 0.00 0.00 52.55 54.05 2kvc s ASP 58 Cb -0.12 -2.61 0.07 0.00 -1.46 0.00 0.00 42.92 38.81 2kvc s ASP 58 CO 0.01 -0.63 1.59 -1.10 0.52 0.00 0.00 175.17 175.56 2kvc s GLN 59 N -2.30 3.85 0.50 4.34 -0.21 -1.26 -4.92 119.66 119.66 2kvc s GLN 59 Ca 0.57 -1.74 0.01 0.00 0.02 0.00 0.00 55.36 54.22 2kvc s GLN 59 Cb -0.29 -5.41 -0.01 0.00 1.00 0.00 0.00 33.01 28.30 2kvc s GLN 59 CO 0.37 -2.18 0.04 0.96 -2.12 0.00 0.00 175.29 172.35 2kvc s ILE 60 N 4.20 0.92 -1.08 1.08 -4.36 -1.26 -5.06 121.20 115.64 2kvc s ILE 60 Ca 0.49 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.67 2kvc s ILE 60 Cb 0.02 -2.11 0.05 0.00 1.25 0.00 0.00 42.46 41.67 2kvc s ILE 60 CO 0.01 0.00 1.53 -1.81 0.24 0.00 0.00 174.94 174.91 2kvc s ASP 61 N -3.83 6.53 -0.06 4.36 1.01 -1.26 -4.73 116.67 118.69 2kvc s ASP 61 Ca 0.07 -1.65 -0.14 0.00 0.71 0.00 0.00 52.55 51.53 2kvc s ASP 61 Cb 0.01 -2.57 -0.30 0.00 1.01 0.00 0.00 42.92 41.07 2kvc s ASP 61 CO 0.04 -1.48 0.66 0.40 0.21 0.00 0.00 175.17 175.01 2kvc h ILE 62 N 6.53 1.03 -0.13 0.77 1.08 -1.97 -3.33 117.51 121.50 2kvc h ILE 62 Ca 0.25 -2.48 0.04 0.00 -0.39 0.00 0.00 64.86 62.28 2kvc h ILE 62 Cb 0.98 2.79 -0.01 0.00 -3.07 0.00 0.00 36.82 37.51 2kvc h ILE 62 CO 1.43 0.79 0.11 1.23 -0.69 0.00 0.00 178.15 181.02 2kvc h GLY 63 N 0.34 0.00 0.39 5.37 0.00 -2.00 -1.26 103.07 105.92 2kvc h GLY 63 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2kvc h GLY 63 CO 0.14 0.00 -0.09 -2.08 0.00 0.00 0.00 176.54 174.51 2kvc h VAL 64 N 0.00 0.77 -0.02 4.60 2.07 -1.94 -3.28 116.25 118.44 2kvc h VAL 64 Ca 0.06 -1.04 -0.20 0.00 0.82 0.00 0.00 66.70 66.34 2kvc h VAL 64 Cb 0.28 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2kvc h VAL 64 CO -0.00 0.19 -0.86 0.58 0.02 0.00 0.00 177.57 177.50 2kvc h VAL 65 N -0.87 1.43 0.00 2.57 2.07 -1.55 0.11 116.25 120.01 2kvc h VAL 65 Ca -0.03 -2.43 -0.09 0.00 0.82 0.00 0.00 66.70 64.97 2kvc h VAL 65 Cb 0.51 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2kvc h VAL 65 CO 0.04 0.72 -0.43 0.16 0.02 0.00 0.00 177.57 178.08 2kvc h ILE 66 N 0.18 1.17 0.00 4.57 3.07 -1.41 -2.72 117.51 122.38 2kvc h ILE 66 Ca -0.05 -1.54 -0.15 0.00 1.55 0.00 0.00 64.86 64.67 2kvc h ILE 66 Cb 1.47 1.86 -0.03 0.00 -0.27 0.00 0.00 36.82 39.86 2kvc h ILE 66 CO 0.14 0.42 -2.14 0.35 -1.05 0.00 0.00 178.15 175.87 2kvc n THR 67 N -3.83 0.55 -3.66 0.16 -2.24 -1.20 -4.72 114.28 99.34 2kvc n THR 67 Ca -0.01 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 2kvc n THR 67 Cb 0.48 -0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.41 2kvc n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2kvc s HIS 68 N -3.09 2.03 0.23 4.78 3.76 0.39 -5.10 115.29 118.29 2kvc s HIS 68 Ca -0.09 -2.55 -0.32 0.00 -0.15 0.00 0.00 55.06 51.96 2kvc s HIS 68 Cb 0.11 -1.78 -0.12 0.00 1.11 0.00 0.00 32.58 31.90 2kvc s HIS 68 CO 0.87 -0.75 1.62 1.19 -0.85 0.00 0.00 174.74 176.82 2kvc n PHE 69 N 3.08 2.64 -2.41 1.40 3.72 -1.04 -4.13 117.46 120.71 2kvc n PHE 69 Ca 0.16 0.19 -0.28 0.00 -0.05 0.00 0.00 57.45 57.47 2kvc n PHE 69 Cb 0.38 -2.60 0.01 0.00 -0.94 0.00 0.00 39.48 36.32 2kvc n PHE 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kvc s THR 70 N 0.62 4.70 0.29 4.37 2.01 -0.48 -4.98 115.64 122.17 2kvc s THR 70 Ca 0.71 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 63.04 2kvc s THR 70 Cb -0.55 -3.81 0.27 0.00 0.01 0.00 0.00 72.50 68.42 2kvc s THR 70 CO 0.40 -0.88 1.94 0.44 -0.69 0.00 0.00 174.62 175.83 2kvc h ASP 71 N 0.03 0.96 -0.01 3.53 5.19 -1.97 -3.06 116.42 121.11 2kvc h ASP 71 Ca -0.46 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2kvc h ASP 71 Cb 1.21 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2kvc h ASP 71 CO 0.62 0.66 0.00 -0.62 -3.12 0.00 0.00 179.24 176.78 2kvc n GLU 72 N -4.44 -0.36 -4.03 3.56 1.02 -1.26 -4.96 120.64 110.17 2kvc n GLU 72 Ca 0.12 -0.76 -0.28 0.00 -0.02 0.00 0.00 57.16 56.21 2kvc n GLU 72 Cb 0.10 -1.08 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 2kvc n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kvc s LEU 73 N -0.35 1.42 0.55 -4.62 1.43 -1.16 -2.66 118.68 113.29 2kvc s LEU 73 Ca 0.05 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 2kvc s LEU 73 Cb 0.03 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 2kvc s LEU 73 CO 0.05 -0.08 0.94 -2.16 0.23 0.00 0.00 176.35 175.33 2kvc s PRO 74 N 1.51 3.66 0.19 1.29 0.04 -1.26 -1.38 135.00 139.04 2kvc s PRO 74 Ca 0.03 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 61.53 2kvc s PRO 74 Cb -0.13 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 2kvc s PRO 74 CO -0.08 -0.39 0.62 -1.12 0.04 0.00 0.00 177.00 176.08 2kvc s SER 75 N -3.90 6.89 0.20 6.66 0.01 -1.09 -4.96 113.70 117.52 2kvc s SER 75 Ca 0.53 1.20 -0.11 0.00 1.31 0.00 0.00 55.95 58.88 2kvc s SER 75 Cb -0.11 -2.34 0.27 0.00 0.21 0.00 0.00 66.02 64.05 2kvc s SER 75 CO 0.46 0.04 1.68 1.55 0.41 0.00 0.00 173.24 177.39 2kvc h PRO 76 N 3.35 0.16 -0.94 12.44 0.13 -2.00 -0.17 132.00 144.97 2kvc h PRO 76 Ca -0.48 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2kvc h PRO 76 Cb 1.19 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2kvc h PRO 76 CO 0.66 0.10 0.62 0.93 -0.23 0.00 0.00 178.00 180.09 2kvc h GLU 77 N 0.16 1.21 -0.58 0.86 3.07 -1.99 -0.86 114.58 116.46 2kvc h GLU 77 Ca 0.30 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 2kvc h GLU 77 Cb 0.47 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2kvc h GLU 77 CO -0.45 0.80 0.06 0.22 -1.40 0.00 0.00 179.01 178.24 2kvc h ASP 78 N 1.24 0.95 -0.52 1.42 3.58 -1.55 0.17 116.42 121.71 2kvc h ASP 78 Ca 0.36 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kvc h ASP 78 Cb -0.09 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.69 2kvc h ASP 78 CO -0.09 0.99 0.33 0.58 -2.88 0.00 0.00 179.24 178.17 2kvc h VAL 79 N 0.88 1.15 -0.68 2.25 2.07 -0.58 -0.85 116.25 120.49 2kvc h VAL 79 Ca 0.17 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2kvc h VAL 79 Cb 0.46 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2kvc h VAL 79 CO 0.02 0.15 0.19 -0.08 0.02 0.00 0.00 177.57 177.87 2kvc h GLU 80 N 0.71 1.07 0.13 1.57 4.81 -0.75 -0.74 114.58 121.38 2kvc h GLU 80 Ca 0.19 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2kvc h GLU 80 Cb -0.05 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 2kvc h GLU 80 CO -0.04 0.94 -0.41 -0.09 -0.73 0.00 0.00 179.01 178.68 2kvc h ARG 81 N 1.00 -0.63 -0.21 1.92 9.65 -0.26 -0.90 114.38 124.96 2kvc h ARG 81 Ca 0.22 0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 59.07 2kvc h ARG 81 Cb 0.33 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2kvc h ARG 81 CO -0.00 -0.42 -0.16 -0.24 2.80 0.00 0.00 179.97 181.95 2kvc h VAL 82 N -0.65 1.22 0.33 0.20 3.04 -0.98 -1.03 116.25 118.38 2kvc h VAL 82 Ca 0.02 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.73 2kvc h VAL 82 Cb 0.67 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2kvc h VAL 82 CO -0.23 0.30 -0.16 -0.09 -1.01 0.00 0.00 177.57 176.38 2kvc h ARG 83 N 0.32 -0.43 -0.99 4.17 2.43 -0.81 0.79 114.38 119.85 2kvc h ARG 83 Ca 0.06 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2kvc h ARG 83 Cb 0.47 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 2kvc h ARG 83 CO 0.03 -0.26 0.64 0.00 -1.51 0.00 0.00 179.97 178.87 2kvc h ALA 84 N 0.17 1.27 -0.51 2.80 0.00 -0.84 0.27 119.26 122.42 2kvc h ALA 84 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2kvc h ALA 84 Cb 0.37 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kvc h ALA 84 CO 0.08 0.67 -0.14 -0.09 0.00 0.00 0.00 179.25 179.76 2kvc h ARG 85 N 1.35 0.99 0.00 0.00 9.65 -1.03 -3.28 114.38 122.07 2kvc h ARG 85 Ca 0.36 -0.39 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 2kvc h ARG 85 Cb -0.13 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 2kvc h ARG 85 CO -0.08 1.07 -1.12 -0.07 2.80 0.00 0.00 179.97 182.57 2kvc h LEU 86 N 0.86 0.00 -1.99 3.80 -0.00 -0.42 -3.34 115.31 114.23 2kvc h LEU 86 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2kvc h LEU 86 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2kvc h LEU 86 CO 0.05 0.45 -0.10 0.00 -0.00 0.00 0.00 178.44 178.85 2kvc h ALA 87 N 1.55 1.26 0.00 1.53 0.00 -0.52 -2.00 119.26 121.07 2kvc h ALA 87 Ca -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kvc h ALA 87 Cb 1.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2kvc h ALA 87 CO 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 2kvc h ALA 88 N 1.90 1.08 -0.41 0.00 0.00 -1.68 -2.68 119.26 117.47 2kvc h ALA 88 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2kvc h ALA 88 Cb 0.31 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2kvc h ALA 88 CO 0.01 0.07 0.16 1.04 0.00 0.00 0.00 179.25 180.53 2kvc n GLN 89 N -3.27 2.45 0.00 0.00 3.00 -0.75 -4.86 117.38 113.94 2kvc n GLN 89 Ca -0.01 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 2kvc n GLN 89 Cb 0.24 -1.78 0.00 0.00 0.00 0.00 0.00 30.24 28.70 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 0.02 3.04 2.36 1.08 0.00 -1.01 -4.83 105.19 105.84 2kvc n GLY 90 Ca 0.22 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 2kvc n GLY 90 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2kvc n TRP 91 N 0.00 -3.19 1.24 1.61 -0.00 -1.25 -4.92 117.44 110.93 2kvc n TRP 91 Ca 0.00 1.65 0.09 0.00 -0.00 0.00 0.00 57.50 59.25 2kvc n TRP 91 Cb 0.00 -3.35 0.34 0.00 -0.00 0.00 0.00 31.31 28.30 2kvc n TRP 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2kvc n PRO 92 N 0.91 1.67 -1.60 5.87 -0.04 -1.26 -4.43 135.00 136.12 2kvc n PRO 92 Ca -0.17 -1.02 -0.30 0.00 -0.04 0.00 0.00 63.50 61.98 2kvc n PRO 92 Cb 0.26 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.25 6.78 -3.41 1.53 4.32 -1.26 -4.70 117.00 120.51 2kvc n LEU 93 Ca 0.15 -4.24 -0.15 0.00 -0.02 0.00 0.00 56.01 51.75 2kvc n LEU 93 Cb 0.29 -1.26 -0.10 0.00 -1.62 0.00 0.00 43.42 40.74 2kvc n LEU 93 CO 0.12 1.80 -0.15 -0.62 -1.22 0.00 0.00 177.39 177.31 2kvc s ASP 94 N 0.33 1.26 0.47 -1.43 2.15 -1.26 -5.10 116.67 113.09 2kvc s ASP 94 Ca 0.58 -0.43 0.06 0.00 0.43 0.00 0.00 52.55 53.19 2kvc s ASP 94 Cb 0.35 0.63 0.06 0.00 -0.30 0.00 0.00 42.92 43.66 2kvc s ASP 94 CO -0.20 -0.36 0.52 -0.90 -0.17 0.00 0.00 175.17 174.06 2kvc n ASP 95 N 5.33 2.08 -4.57 -0.34 5.75 -1.26 -5.01 116.55 118.52 2kvc n ASP 95 Ca -0.03 -2.42 -0.44 0.00 -0.01 0.00 0.00 54.79 51.90 2kvc n ASP 95 Cb 0.48 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.32 2kvc n ASP 95 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2kvc n VAL 96 N -1.84 0.28 1.16 2.12 3.14 -1.26 -4.80 118.33 117.14 2kvc n VAL 96 Ca 0.07 -0.45 0.12 0.00 -2.96 0.00 0.00 64.34 61.12 2kvc n VAL 96 Cb 0.51 -2.43 0.23 0.00 -1.06 0.00 0.00 33.84 31.09 2kvc n VAL 96 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2kvc n ARG 97 N 8.70 1.72 -2.15 1.45 1.85 -1.26 -4.82 116.66 122.15 2kvc n ARG 97 Ca 0.33 -1.29 -0.39 0.00 -1.00 0.00 0.00 57.85 55.49 2kvc n ARG 97 Cb 0.42 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 2kvc n ARG 97 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kvc s ASP 98 N -2.17 5.48 0.00 2.89 2.15 -1.26 -4.75 116.67 119.00 2kvc s ASP 98 Ca 0.28 0.17 0.22 0.00 0.43 0.00 0.00 52.55 53.65 2kvc s ASP 98 Cb 0.20 -2.54 -0.25 0.00 -0.30 0.00 0.00 42.92 40.03 2kvc s ASP 98 CO 0.40 -2.25 0.67 -1.14 -0.17 0.00 0.00 175.17 172.68 2kvc n ARG 99 N 9.22 0.48 -3.05 4.34 0.63 -1.26 -5.02 116.66 121.99 2kvc n ARG 99 Ca 0.17 -0.11 -0.08 0.00 -0.92 0.00 0.00 57.85 56.91 2kvc n ARG 99 Cb 0.51 -1.55 0.01 0.00 0.45 0.00 0.00 32.46 31.88 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kvc n GLU 100 N -2.10 -1.82 -0.13 -0.14 2.13 -1.26 -4.99 120.64 112.34 2kvc n GLU 100 Ca -0.01 1.71 -0.18 0.00 0.66 0.00 0.00 57.16 59.33 2kvc n GLU 100 Cb 0.50 -5.26 -0.12 0.00 0.27 0.00 0.00 31.44 26.83 2kvc n GLU 100 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kvc n GLU 101 N -1.12 0.65 -3.65 5.31 1.02 -1.26 -4.89 120.64 116.70 2kvc n GLU 101 Ca 0.02 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 2kvc n GLU 101 Cb 0.51 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.24 2kvc n GLU 101 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kvc s HIS 102 N -2.52 0.04 0.00 -0.32 3.76 -1.26 -5.34 115.29 109.65 2kvc s HIS 102 Ca -0.35 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2kvc s HIS 102 Cb 0.09 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.28 2kvc s HIS 102 CO 0.60 -0.30 0.18 0.00 -0.85 0.00 0.00 174.74 174.36