#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 -0.54 -0.07 1.61 0.15 -1.26 -5.15 113.70 108.45 2kvc s SER 2 Ca 0.00 1.18 -0.11 0.00 0.70 0.00 0.00 55.95 57.71 2kvc s SER 2 Cb 0.00 1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 65.90 2kvc s SER 2 CO 0.00 -0.23 0.28 -1.00 1.20 0.00 0.00 173.24 173.50 2kvc s HIS 3 N 2.69 3.65 -0.10 3.44 3.76 -1.26 -4.98 115.29 122.49 2kvc s HIS 3 Ca -0.03 0.76 0.30 0.00 -0.15 0.00 0.00 55.06 55.94 2kvc s HIS 3 Cb -0.12 -2.15 1.03 0.00 1.11 0.00 0.00 32.58 32.45 2kvc s HIS 3 CO -0.15 0.64 1.86 0.52 -0.85 0.00 0.00 174.74 176.76 2kvc h MET 4 N 5.02 0.00 -0.19 1.40 0.00 -2.04 -3.01 114.93 116.11 2kvc h MET 4 Ca -0.52 0.00 0.05 0.00 0.00 0.00 0.00 59.70 59.23 2kvc h MET 4 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.81 2kvc h MET 4 CO 0.61 0.00 0.15 -0.91 0.00 0.00 0.00 176.91 176.76 2kvc h ASN 5 N 0.00 0.00 -0.81 1.22 4.21 -2.01 -2.76 115.58 115.43 2kvc h ASN 5 Ca 0.00 0.00 0.19 0.00 1.21 0.00 0.00 56.30 57.70 2kvc h ASN 5 Cb 0.66 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.82 2kvc h ASN 5 CO 0.00 0.00 0.55 0.08 -1.29 0.00 0.00 177.43 176.77 2kvc h ARG 6 N 0.00 0.25 -0.10 0.81 0.11 -1.95 0.15 114.38 113.65 2kvc h ARG 6 Ca 0.09 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.07 2kvc h ARG 6 Cb 0.38 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2kvc h ARG 6 CO -0.00 0.17 -0.24 0.35 0.10 0.00 0.00 179.97 180.35 2kvc h PHE 7 N 0.26 0.45 -0.56 4.08 3.57 -1.75 -0.42 116.94 122.56 2kvc h PHE 7 Ca 0.40 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2kvc h PHE 7 Cb 1.18 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2kvc h PHE 7 CO -0.00 0.86 0.31 -0.07 -2.23 0.00 0.00 178.31 177.17 2kvc h LEU 8 N -0.09 0.71 -1.13 0.59 3.38 -1.20 -0.47 115.31 117.09 2kvc h LEU 8 Ca -0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2kvc h LEU 8 Cb 0.84 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2kvc h LEU 8 CO 0.05 0.60 0.04 0.74 0.09 0.00 0.00 178.44 179.96 2kvc h THR 9 N 0.76 1.21 -0.53 0.22 2.02 -0.78 -0.16 112.91 115.65 2kvc h THR 9 Ca 0.20 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 2kvc h THR 9 Cb 0.05 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2kvc h THR 9 CO -0.03 0.29 0.01 -1.28 0.37 0.00 0.00 175.52 174.88 2kvc h SER 10 N 0.62 0.86 -0.33 4.18 0.87 -0.35 0.32 113.55 119.72 2kvc h SER 10 Ca 0.13 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2kvc h SER 10 Cb 0.33 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2kvc h SER 10 CO 0.01 0.91 0.13 0.40 -0.53 0.00 0.00 176.83 177.75 2kvc h ILE 11 N 0.82 1.19 -0.27 2.23 1.08 -0.46 -0.51 117.51 121.58 2kvc h ILE 11 Ca 0.16 -0.58 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 2kvc h ILE 11 Cb 0.48 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.12 2kvc h ILE 11 CO 0.02 0.20 -0.11 0.58 -0.69 0.00 0.00 178.15 178.15 2kvc h VAL 12 N 0.38 0.63 -0.81 1.67 2.07 -0.51 0.41 116.25 120.08 2kvc h VAL 12 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2kvc h VAL 12 Cb 0.19 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2kvc h VAL 12 CO -0.01 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.10 2kvc h ALA 13 N 1.18 1.03 -0.13 1.67 0.00 -0.82 -1.13 119.26 121.06 2kvc h ALA 13 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kvc h ALA 13 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kvc h ALA 13 CO -0.32 0.47 0.06 2.35 0.00 0.00 0.00 179.25 181.81 2kvc h TRP 14 N 1.11 0.19 -0.50 0.00 7.01 -0.33 -0.28 115.95 123.15 2kvc h TRP 14 Ca 0.30 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 2kvc h TRP 14 Cb -0.09 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2kvc h TRP 14 CO -0.01 0.24 0.30 -0.07 -2.79 0.00 0.00 178.44 176.11 2kvc h LEU 15 N 0.09 0.61 -0.74 0.65 3.38 0.13 0.37 115.31 119.80 2kvc h LEU 15 Ca 0.05 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2kvc h LEU 15 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kvc h LEU 15 CO -0.01 0.50 -0.38 0.08 0.09 0.00 0.00 178.44 178.72 2kvc h ARG 16 N 0.67 0.51 -0.09 1.13 0.11 -1.17 -2.51 114.38 113.03 2kvc h ARG 16 Ca 0.18 -0.25 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 2kvc h ARG 16 Cb 0.00 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2kvc h ARG 16 CO -0.03 0.82 -0.19 0.00 0.10 0.00 0.00 179.97 180.66 2kvc h ALA 17 N 1.16 1.51 0.00 0.08 0.00 -0.41 -1.30 119.26 120.30 2kvc h ALA 17 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2kvc h ALA 17 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kvc h ALA 17 CO 0.07 0.35 -0.30 0.78 0.00 0.00 0.00 179.25 180.16 2kvc h GLY 18 N 0.78 0.00 -6.18 0.00 0.00 -0.51 -3.38 103.07 93.79 2kvc h GLY 18 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.85 2kvc h GLY 18 CO 0.03 0.00 -0.88 -0.19 0.00 0.00 0.00 176.54 175.50 2kvc s TYR 19 N -4.03 0.56 -0.90 5.60 2.02 -0.54 -4.70 117.35 115.34 2kvc s TYR 19 Ca -0.02 -1.91 0.16 0.00 -0.37 0.00 0.00 57.07 54.93 2kvc s TYR 19 Cb 0.13 -0.69 0.66 0.00 -0.40 0.00 0.00 41.96 41.66 2kvc s TYR 19 CO 0.67 -0.91 1.49 -0.35 -1.57 0.00 0.00 175.55 174.89 2kvc n PRO 20 N 3.05 0.04 0.00 -1.71 -0.04 -0.87 -1.22 135.00 134.25 2kvc n PRO 20 Ca 0.25 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 2kvc n PRO 20 Cb 0.48 -1.57 0.21 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.64 1.91 0.00 0.54 0.00 -1.26 -5.06 120.64 115.13 2kvc n GLU 21 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 57.16 55.73 2kvc n GLU 21 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.14 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kvc n GLY 22 N 1.31 1.58 3.61 -1.84 0.00 -0.35 -4.93 105.19 104.57 2kvc n GLY 22 Ca 0.15 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.98 4.21 0.57 -0.61 1.09 -1.26 -4.87 121.20 118.35 2kvc s ILE 23 Ca 0.00 1.30 -0.20 0.00 -1.10 0.00 0.00 60.65 60.65 2kvc s ILE 23 Cb 0.00 -4.43 -0.04 0.00 -1.06 0.00 0.00 42.46 36.93 2kvc s ILE 23 CO 0.00 -0.77 1.25 -2.84 -0.10 0.00 0.00 174.94 172.48 2kvc s PRO 24 N 4.31 3.08 0.34 2.79 0.02 -1.26 -3.72 135.00 140.56 2kvc s PRO 24 Ca 0.51 1.94 0.07 0.00 0.02 0.00 0.00 61.00 63.54 2kvc s PRO 24 Cb -0.11 -2.06 0.75 0.00 0.02 0.00 0.00 34.50 33.09 2kvc s PRO 24 CO 0.27 -1.15 1.89 -1.00 -0.33 0.00 0.00 177.00 176.67 2kvc h PRO 25 N 1.15 0.75 -0.68 5.54 0.13 -1.96 -1.60 132.00 135.32 2kvc h PRO 25 Ca -0.50 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 2kvc h PRO 25 Cb 1.30 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2kvc h PRO 25 CO 0.56 0.50 0.26 1.79 -0.23 0.00 0.00 178.00 180.87 2kvc h THR 26 N 0.77 1.25 -0.01 1.56 1.35 -2.03 -2.83 112.91 112.97 2kvc h THR 26 Ca 0.42 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2kvc h THR 26 Cb 0.55 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2kvc h THR 26 CO -0.18 0.31 -0.11 0.47 -0.25 0.00 0.00 175.52 175.76 2kvc n ASP 27 N -4.37 0.83 -0.15 5.36 9.92 -0.67 -3.85 116.55 123.62 2kvc n ASP 27 Ca 0.05 -0.92 -0.06 0.00 -0.53 0.00 0.00 54.79 53.33 2kvc n ASP 27 Cb 0.19 0.01 0.03 0.00 -0.64 0.00 0.00 41.12 40.71 2kvc n ASP 27 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2kvc h SER 28 N 1.12 0.40 0.20 -2.24 0.87 -1.10 0.81 113.55 113.61 2kvc h SER 28 Ca 0.00 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2kvc h SER 28 Cb 0.40 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2kvc h SER 28 CO 0.00 0.28 -0.24 -0.26 -0.53 0.00 0.00 176.83 176.09 2kvc h PHE 29 N 0.51 0.07 -0.10 2.24 -1.00 -1.75 0.11 116.94 117.02 2kvc h PHE 29 Ca 0.19 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.86 2kvc h PHE 29 Cb 0.05 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2kvc h PHE 29 CO -0.08 0.30 -0.33 0.00 -1.61 0.00 0.00 178.31 176.59 2kvc h ALA 30 N 1.70 0.17 -0.73 2.45 0.00 -1.54 -0.19 119.26 121.12 2kvc h ALA 30 Ca 0.01 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2kvc h ALA 30 Cb 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2kvc h ALA 30 CO 0.03 0.22 0.45 0.28 0.00 0.00 0.00 179.25 180.24 2kvc h VAL 31 N -0.06 1.06 -0.37 0.00 2.07 -0.52 -0.94 116.25 117.50 2kvc h VAL 31 Ca -0.01 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.28 2kvc h VAL 31 Cb 0.96 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2kvc h VAL 31 CO 0.07 0.16 -0.02 0.25 0.02 0.00 0.00 177.57 178.05 2kvc h LEU 32 N 0.86 -0.18 -0.35 2.57 5.85 -0.69 0.47 115.31 123.84 2kvc h LEU 32 Ca 0.31 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.15 2kvc h LEU 32 Cb 0.09 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2kvc h LEU 32 CO -0.14 -0.05 0.14 0.00 -0.34 0.00 0.00 178.44 178.05 2kvc h ALA 33 N 1.33 0.41 -0.21 1.25 0.00 0.10 0.66 119.26 122.80 2kvc h ALA 33 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2kvc h ALA 33 Cb 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kvc h ALA 33 CO -0.31 -0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 178.50 2kvc h LEU 34 N 0.31 0.47 -0.50 0.00 -0.00 -0.95 -3.23 115.31 111.41 2kvc h LEU 34 Ca 0.15 -0.43 -0.13 0.00 -0.00 0.00 0.00 57.88 57.47 2kvc h LEU 34 Cb 0.10 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 2kvc h LEU 34 CO -0.13 0.79 -0.22 -0.07 -0.00 0.00 0.00 178.44 178.81 2kvc h LEU 35 N 0.14 1.03 -1.78 1.67 3.38 -0.71 -3.09 115.31 115.96 2kvc h LEU 35 Ca 0.04 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2kvc h LEU 35 Cb 0.63 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kvc h LEU 35 CO 0.04 1.19 -0.14 0.00 0.09 0.00 0.00 178.44 179.62 2kvc h ARG 37 N 0.00 0.00 0.00 0.00 3.08 -1.55 -3.36 114.38 112.55 2kvc h ARG 37 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2kvc h ARG 37 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2kvc h ARG 37 CO 0.02 0.17 -1.49 -2.13 -1.07 0.00 0.00 179.97 175.47 2kvc n ARG 38 N -3.28 0.48 -4.39 0.04 3.00 -0.33 -5.05 116.66 107.13 2kvc n ARG 38 Ca 0.01 0.20 -0.25 0.00 -0.00 0.00 0.00 57.85 57.80 2kvc n ARG 38 Cb 0.43 -1.32 -0.10 0.00 0.00 0.00 0.00 32.46 31.47 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 -7.57 2.75 0.81 6.15 1.43 0.71 -5.13 118.68 117.84 2kvc s LEU 39 Ca -0.29 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 2kvc s LEU 39 Cb 0.07 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 45.02 2kvc s LEU 39 CO 0.39 0.06 1.11 -0.44 0.23 0.00 0.00 176.35 177.71 2kvc s SER 40 N -3.21 4.37 0.22 2.29 0.01 -1.26 -4.05 113.70 112.08 2kvc s SER 40 Ca 0.27 1.18 -0.08 0.00 1.31 0.00 0.00 55.95 58.63 2kvc s SER 40 Cb -0.07 -1.87 0.28 0.00 0.21 0.00 0.00 66.02 64.58 2kvc s SER 40 CO 0.15 -2.03 1.83 1.12 0.41 0.00 0.00 173.24 174.71 2kvc h HIS 41 N -1.13 0.82 0.00 2.43 2.07 -1.92 0.34 115.15 117.75 2kvc h HIS 41 Ca -0.48 0.03 -0.11 0.00 -2.85 0.00 0.00 60.37 56.96 2kvc h HIS 41 Cb 1.29 -0.26 -0.02 0.00 2.57 0.00 0.00 27.41 30.99 2kvc h HIS 41 CO 0.42 0.41 -0.51 -0.44 -3.07 0.00 0.00 177.93 174.73 2kvc h ASP 42 N 0.82 0.00 0.02 3.10 5.19 -1.97 0.47 116.42 124.04 2kvc h ASP 42 Ca 0.33 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2kvc h ASP 42 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2kvc h ASP 42 CO -0.18 0.51 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.37 2kvc h GLU 43 N 0.00 -0.03 -0.15 3.56 4.57 -1.62 0.55 114.58 121.46 2kvc h GLU 43 Ca -0.01 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2kvc h GLU 43 Cb 1.22 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2kvc h GLU 43 CO 0.07 0.31 -0.30 -0.39 -1.18 0.00 0.00 179.01 177.51 2kvc h VAL 44 N -0.37 1.26 -0.42 0.32 -1.51 -0.96 -1.17 116.25 113.40 2kvc h VAL 44 Ca -0.00 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 2kvc h VAL 44 Cb 0.35 1.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 2kvc h VAL 44 CO 0.00 0.38 0.28 0.50 -1.23 0.00 0.00 177.57 177.51 2kvc h LYS 45 N 0.25 0.56 -0.07 5.19 3.64 -0.78 -0.77 116.57 124.59 2kvc h LYS 45 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kvc h LYS 45 Cb 0.66 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2kvc h LYS 45 CO 0.05 0.37 -0.00 0.00 -2.27 0.00 0.00 179.45 177.60 2kvc h ALA 46 N 1.15 0.09 -0.54 5.00 0.00 -0.38 0.92 119.26 125.51 2kvc h ALA 46 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kvc h ALA 46 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kvc h ALA 46 CO -0.03 -0.23 0.09 -0.24 0.00 0.00 0.00 179.25 178.84 2kvc h VAL 47 N -0.16 1.23 -0.20 0.00 3.04 -1.20 -0.19 116.25 118.77 2kvc h VAL 47 Ca 0.02 -0.89 -0.15 0.00 -1.01 0.00 0.00 66.70 64.67 2kvc h VAL 47 Cb 0.34 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2kvc h VAL 47 CO 0.00 0.33 -0.49 0.00 -1.01 0.00 0.00 177.57 176.40 2kvc h ALA 48 N 1.29 0.76 -0.01 3.17 0.00 -1.07 0.03 119.26 123.43 2kvc h ALA 48 Ca 0.17 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kvc h ALA 48 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kvc h ALA 48 CO 0.01 0.67 0.01 -0.97 0.00 0.00 0.00 179.25 178.96 2kvc h ASN 49 N 0.44 0.02 0.62 0.00 -0.73 -0.13 0.59 115.58 116.38 2kvc h ASN 49 Ca 0.02 -0.12 -0.12 0.00 1.87 0.00 0.00 56.30 57.95 2kvc h ASN 49 Cb 1.01 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.58 2kvc h ASN 49 CO 0.09 0.13 -0.59 1.05 -0.37 0.00 0.00 177.43 177.74 2kvc h GLU 50 N -0.10 0.00 -0.52 6.67 4.11 -1.04 -0.84 114.58 122.87 2kvc h GLU 50 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.35 2kvc h GLU 50 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2kvc h GLU 50 CO -0.00 0.59 -0.03 1.25 0.07 0.00 0.00 179.01 180.89 2kvc h LEU 51 N 0.00 0.87 -0.83 3.06 5.85 -0.78 -2.27 115.31 121.21 2kvc h LEU 51 Ca -0.01 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 2kvc h LEU 51 Cb 1.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2kvc h LEU 51 CO 0.08 0.95 -0.45 0.24 -0.34 0.00 0.00 178.44 178.92 2kvc h MET 52 N 0.82 0.31 -0.76 1.25 2.86 -0.54 -2.75 114.93 116.12 2kvc h MET 52 Ca 0.15 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2kvc h MET 52 Cb 0.53 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 2kvc h MET 52 CO 0.03 0.70 0.49 -0.09 1.06 0.00 0.00 176.91 179.09 2kvc h ARG 53 N 0.25 0.93 0.00 1.72 9.65 -0.57 -2.10 114.38 124.26 2kvc h ARG 53 Ca 0.02 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 2kvc h ARG 53 Cb 0.89 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2kvc h ARG 53 CO 0.07 0.61 -0.42 -0.07 2.80 0.00 0.00 179.97 182.97 2kvc h LEU 54 N 0.96 0.00 -0.37 3.80 -0.00 -1.53 -3.48 115.31 114.69 2kvc h LEU 54 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2kvc h LEU 54 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2kvc h LEU 54 CO -0.10 0.42 0.00 0.61 -0.00 0.00 0.00 178.44 179.37 2kvc n GLY 55 N 1.17 0.78 1.09 0.83 0.00 -0.79 -5.03 105.19 103.24 2kvc n GLY 55 Ca 0.02 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.18 1.70 -4.09 1.61 8.00 -1.05 -5.06 116.55 117.48 2kvc n ASP 56 Ca 0.00 -3.19 -0.09 0.00 0.71 0.00 0.00 54.79 52.21 2kvc n ASP 56 Cb 0.07 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.23 0.70 0.35 1.24 2.19 -1.26 -4.31 117.98 114.67 2kvc s PHE 57 Ca 0.37 -1.09 -0.09 0.00 0.33 0.00 0.00 56.93 56.45 2kvc s PHE 57 Cb 0.38 -0.36 -0.06 0.00 -1.31 0.00 0.00 43.02 41.66 2kvc s PHE 57 CO -0.09 -0.55 0.69 0.34 1.83 0.00 0.00 175.22 177.44 2kvc s ASP 58 N -3.01 6.53 -1.27 6.13 -1.08 -1.24 -4.83 116.67 117.90 2kvc s ASP 58 Ca 0.20 1.01 -0.17 0.00 -0.52 0.00 0.00 52.55 53.07 2kvc s ASP 58 Cb 0.06 -2.27 -0.00 0.00 -1.46 0.00 0.00 42.92 39.26 2kvc s ASP 58 CO -0.00 -0.30 2.01 0.00 0.52 0.00 0.00 175.17 177.40 2kvc n GLN 59 N -1.04 2.58 -2.73 4.34 1.13 -1.26 -4.85 117.38 115.55 2kvc n GLN 59 Ca 0.01 -2.63 -0.09 0.00 -1.94 0.00 0.00 57.00 52.35 2kvc n GLN 59 Cb 0.54 -3.32 -0.02 0.00 0.11 0.00 0.00 30.24 27.55 2kvc n GLN 59 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2kvc n ILE 60 N 5.88 0.00 -4.16 5.09 -5.35 -1.26 -5.11 119.36 114.45 2kvc n ILE 60 Ca 0.50 -0.67 -0.34 0.00 -0.27 0.00 0.00 62.75 61.97 2kvc n ILE 60 Cb 0.42 0.15 -0.12 0.00 -1.74 0.00 0.00 39.64 38.36 2kvc n ILE 60 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kvc s ASP 61 N -1.76 5.06 -0.23 7.28 -4.77 -1.26 -4.95 116.67 116.04 2kvc s ASP 61 Ca 0.01 -0.10 -0.00 0.00 -3.30 0.00 0.00 52.55 49.16 2kvc s ASP 61 Cb 0.00 -1.85 -0.19 0.00 -1.09 0.00 0.00 42.92 39.78 2kvc s ASP 61 CO 0.01 0.13 -0.09 -0.38 0.70 0.00 0.00 175.17 175.54 2kvc n ILE 62 N 3.83 1.56 -0.18 2.11 2.08 -1.26 -4.38 119.36 123.12 2kvc n ILE 62 Ca -0.17 -0.59 -0.02 0.00 0.56 0.00 0.00 62.75 62.53 2kvc n ILE 62 Cb 0.52 -1.49 0.08 0.00 -0.75 0.00 0.00 39.64 38.00 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 1.79 0.73 0.72 7.39 0.00 -1.95 -0.96 103.07 110.78 2kvc h GLY 63 Ca -0.54 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 2kvc h GLY 63 CO -0.05 -0.02 -0.52 -2.08 0.00 0.00 0.00 176.54 173.87 2kvc h VAL 64 N 0.36 1.45 -0.55 4.60 2.07 -1.96 -3.18 116.25 119.04 2kvc h VAL 64 Ca 0.27 -2.04 0.06 0.00 0.82 0.00 0.00 66.70 65.80 2kvc h VAL 64 Cb 0.32 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 2kvc h VAL 64 CO -0.29 0.59 0.26 0.58 0.02 0.00 0.00 177.57 178.74 2kvc h VAL 65 N -0.18 0.92 0.01 2.57 2.07 -1.68 0.80 116.25 120.76 2kvc h VAL 65 Ca -0.06 -0.17 -0.23 0.00 0.82 0.00 0.00 66.70 67.05 2kvc h VAL 65 Cb 1.24 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2kvc h VAL 65 CO 0.10 0.09 -0.97 0.16 0.02 0.00 0.00 177.57 176.98 2kvc h ILE 66 N 0.50 1.39 0.00 4.57 3.07 -1.29 -3.24 117.51 122.52 2kvc h ILE 66 Ca 0.25 -2.46 0.00 0.00 1.55 0.00 0.00 64.86 64.20 2kvc h ILE 66 Cb 0.19 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2kvc h ILE 66 CO -0.19 0.74 -1.09 0.35 -1.05 0.00 0.00 178.15 176.91 2kvc n THR 67 N -3.74 0.25 -3.83 0.16 -2.24 -1.19 -4.49 114.28 99.19 2kvc n THR 67 Ca -0.07 -0.33 -0.28 0.00 -2.27 0.00 0.00 64.05 61.10 2kvc n THR 67 Cb 0.85 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 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 -3.26 3.19 0.52 4.78 5.65 0.27 -5.09 115.29 121.35 2kvc s HIS 68 Ca 0.02 -3.18 -0.23 0.00 0.25 0.00 0.00 55.06 51.92 2kvc s HIS 68 Cb 0.13 -2.47 -0.06 0.00 -1.18 0.00 0.00 32.58 29.01 2kvc s HIS 68 CO 0.80 -0.60 1.40 -0.06 -0.65 0.00 0.00 174.74 175.63 2kvc s PHE 69 N -1.13 2.30 0.54 3.88 0.40 -1.24 -4.53 117.98 118.20 2kvc s PHE 69 Ca 0.25 1.32 -0.08 0.00 -0.60 0.00 0.00 56.93 57.82 2kvc s PHE 69 Cb -0.06 -3.87 -0.04 0.00 0.51 0.00 0.00 43.02 39.56 2kvc s PHE 69 CO -0.15 -3.02 0.90 0.99 0.70 0.00 0.00 175.22 174.63 2kvc s THR 70 N -1.26 4.82 -0.10 0.64 2.01 -1.25 -5.02 115.64 115.47 2kvc s THR 70 Ca 0.69 0.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.07 2kvc s THR 70 Cb -0.42 -3.87 -0.27 0.00 0.01 0.00 0.00 72.50 67.95 2kvc s THR 70 CO 0.51 -0.98 0.53 -0.78 -0.69 0.00 0.00 174.62 173.21 2kvc h ASP 71 N -0.01 0.41 -0.07 3.53 1.82 -2.01 -3.38 116.42 116.72 2kvc h ASP 71 Ca -0.46 -0.87 -0.18 0.00 -0.39 0.00 0.00 57.03 55.14 2kvc h ASP 71 Cb 1.20 -0.13 0.01 0.00 0.68 0.00 0.00 39.33 41.08 2kvc h ASP 71 CO 0.62 1.68 -0.64 -0.33 -1.61 0.00 0.00 179.24 178.96 2kvc h GLU 72 N -0.21 0.56 -6.32 0.28 3.07 -2.05 -3.46 114.58 106.46 2kvc h GLU 72 Ca -0.33 -0.51 -0.45 0.00 -0.50 0.00 0.00 59.36 57.57 2kvc h GLU 72 Cb 1.84 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.87 2kvc h GLU 72 CO 0.07 1.13 -0.34 -0.51 -1.40 0.00 0.00 179.01 177.96 2kvc s LEU 73 N -8.43 4.10 0.46 1.33 2.01 -1.26 -4.38 118.68 112.50 2kvc s LEU 73 Ca -0.12 0.03 -0.19 0.00 0.01 0.00 0.00 54.13 53.86 2kvc s LEU 73 Cb 0.06 -2.89 -0.10 0.00 0.01 0.00 0.00 46.19 43.26 2kvc s LEU 73 CO 0.85 -0.29 0.96 -2.16 1.01 0.00 0.00 176.35 176.72 2kvc s PRO 74 N -4.14 4.13 -0.02 1.29 0.04 -1.26 -3.97 135.00 131.07 2kvc s PRO 74 Ca 0.40 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2kvc s PRO 74 Cb -0.09 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2kvc s PRO 74 CO 0.31 -0.11 1.39 -1.54 0.04 0.00 0.00 177.00 177.10 2kvc s SER 75 N -2.50 6.86 0.30 6.66 1.04 -1.26 -4.92 113.70 119.89 2kvc s SER 75 Ca 0.61 2.07 0.06 0.00 0.48 0.00 0.00 55.95 59.17 2kvc s SER 75 Cb -0.09 -2.56 0.77 0.00 0.10 0.00 0.00 66.02 64.24 2kvc s SER 75 CO 0.20 -0.73 1.75 1.55 0.98 0.00 0.00 173.24 176.99 2kvc h PRO 76 N 7.95 0.63 -0.62 4.02 0.13 -1.98 0.61 132.00 142.74 2kvc h PRO 76 Ca -0.37 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kvc h PRO 76 Cb 1.17 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2kvc h PRO 76 CO 0.91 0.42 0.39 1.05 -0.23 0.00 0.00 178.00 180.54 2kvc h GLU 77 N 0.65 0.84 -0.08 0.86 4.11 -1.98 0.14 114.58 119.11 2kvc h GLU 77 Ca 0.59 -0.07 -0.16 0.00 0.07 0.00 0.00 59.36 59.80 2kvc h GLU 77 Cb 1.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2kvc h GLU 77 CO -0.43 0.58 -0.64 -0.44 0.07 0.00 0.00 179.01 178.16 2kvc h ASP 78 N 0.84 0.35 -0.56 3.06 3.32 -1.45 0.12 116.42 122.10 2kvc h ASP 78 Ca 0.22 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.11 2kvc h ASP 78 Cb -0.05 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2kvc h ASP 78 CO -0.04 0.89 0.31 0.58 -1.72 0.00 0.00 179.24 179.26 2kvc h VAL 79 N 0.22 1.00 -0.06 -1.35 2.07 -0.49 0.11 116.25 117.75 2kvc h VAL 79 Ca -0.01 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 2kvc h VAL 79 Cb 1.16 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2kvc h VAL 79 CO 0.10 0.11 -0.46 -0.33 0.02 0.00 0.00 177.57 177.01 2kvc h GLU 80 N 0.61 0.15 -0.23 1.57 5.08 -0.29 -0.36 114.58 121.10 2kvc h GLU 80 Ca 0.24 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2kvc h GLU 80 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kvc h GLU 80 CO -0.14 0.58 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 2kvc h ARG 81 N 0.12 0.43 -0.09 2.33 3.08 -0.02 -0.78 114.38 119.45 2kvc h ARG 81 Ca 0.01 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 2kvc h ARG 81 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2kvc h ARG 81 CO 0.07 0.65 -0.43 -0.24 -1.07 0.00 0.00 179.97 178.95 2kvc h VAL 82 N 0.17 1.32 -0.43 2.04 3.04 -0.70 -0.65 116.25 121.03 2kvc h VAL 82 Ca 0.06 -1.55 0.01 0.00 -1.01 0.00 0.00 66.70 64.21 2kvc h VAL 82 Cb 0.48 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 2kvc h VAL 82 CO 0.02 0.46 0.27 -0.09 -1.01 0.00 0.00 177.57 177.22 2kvc h ARG 83 N 0.18 0.54 -0.46 4.17 2.43 -0.87 0.33 114.38 120.70 2kvc h ARG 83 Ca 0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2kvc h ARG 83 Cb 0.83 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2kvc h ARG 83 CO 0.06 0.36 0.16 0.00 -1.51 0.00 0.00 179.97 179.04 2kvc h ALA 84 N 1.17 0.60 -0.17 2.80 0.00 -0.80 0.68 119.26 123.54 2kvc h ALA 84 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2kvc h ALA 84 Cb -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2kvc h ALA 84 CO -0.05 0.23 -0.15 0.00 0.00 0.00 0.00 179.25 179.28 2kvc h ARG 85 N 0.60 -0.16 0.10 0.00 2.47 -0.70 -2.61 114.38 114.09 2kvc h ARG 85 Ca 0.15 0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 58.58 2kvc h ARG 85 Cb 0.23 0.04 0.03 0.00 -1.65 0.00 0.00 29.97 28.62 2kvc h ARG 85 CO -0.01 -0.10 -1.22 -0.07 0.56 0.00 0.00 179.97 179.13 2kvc h LEU 86 N -0.16 0.89 -1.96 3.04 -0.00 -0.87 -3.27 115.31 112.98 2kvc h LEU 86 Ca 0.11 -0.81 -0.02 0.00 -0.00 0.00 0.00 57.88 57.15 2kvc h LEU 86 Cb 0.32 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2kvc h LEU 86 CO -0.27 1.61 -0.11 0.00 -0.00 0.00 0.00 178.44 179.67 2kvc h ALA 87 N 0.30 1.39 -0.17 1.53 0.00 -0.83 -1.76 119.26 119.72 2kvc h ALA 87 Ca -0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2kvc h ALA 87 Cb 1.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2kvc h ALA 87 CO 0.24 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 2kvc h ALA 88 N 1.89 1.61 -0.70 0.00 0.00 -1.51 -1.81 119.26 118.74 2kvc h ALA 88 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kvc h ALA 88 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kvc h ALA 88 CO 0.01 0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.59 2kvc n GLN 89 N -4.34 2.73 0.00 0.00 3.00 -0.68 -5.04 117.38 113.05 2kvc n GLN 89 Ca -0.00 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.37 2kvc n GLN 89 Cb 0.21 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 28.90 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 1.58 2.89 2.70 1.08 0.00 -0.68 -4.98 105.19 107.78 2kvc n GLY 90 Ca 0.24 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.03 -0.51 -1.22 1.61 -0.11 -1.26 -3.42 118.94 112.01 2kvc s TRP 91 Ca 0.00 -1.06 0.20 0.00 1.22 0.00 0.00 56.10 56.46 2kvc s TRP 91 Cb 0.00 -0.22 0.94 0.00 -1.50 0.00 0.00 33.47 32.69 2kvc s TRP 91 CO 0.00 -1.06 1.64 -2.30 -4.62 0.00 0.00 176.95 170.61 2kvc n PRO 92 N 3.40 0.15 -0.09 5.86 -0.02 -1.26 -3.12 135.00 139.91 2kvc n PRO 92 Ca 0.19 0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 2kvc n PRO 92 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 2kvc n PRO 92 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kvc h LEU 93 N 0.00 0.56 -3.27 2.45 4.07 -2.00 -3.48 115.31 113.64 2kvc h LEU 93 Ca 0.00 -0.39 -0.32 0.00 0.08 0.00 0.00 57.88 57.25 2kvc h LEU 93 Cb 0.27 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2kvc h LEU 93 CO 0.00 0.82 -0.79 -0.67 -1.08 0.00 0.00 178.44 176.72 2kvc n ASP 94 N -4.48 -5.90 -4.79 -0.43 2.03 -1.18 -4.88 116.55 96.92 2kvc n ASP 94 Ca -0.03 -0.54 -0.38 0.00 0.52 0.00 0.00 54.79 54.35 2kvc n ASP 94 Cb 0.34 -2.85 -0.06 0.00 -0.72 0.00 0.00 41.12 37.82 2kvc n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kvc s ASP 95 N -2.78 7.26 -0.10 1.67 2.15 -1.26 -5.05 116.67 118.55 2kvc s ASP 95 Ca 0.06 1.54 -0.07 0.00 0.43 0.00 0.00 52.55 54.51 2kvc s ASP 95 Cb -0.01 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2kvc s ASP 95 CO 0.85 0.16 0.26 -0.69 -0.17 0.00 0.00 175.17 175.58 2kvc s VAL 96 N -1.26 -0.02 0.51 1.11 1.01 -1.26 -5.17 120.40 115.32 2kvc s VAL 96 Ca 0.37 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.47 2kvc s VAL 96 Cb -0.21 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.83 2kvc s VAL 96 CO 0.24 0.03 0.71 0.00 0.00 0.00 0.00 175.10 176.08 2kvc s ARG 97 N 0.68 2.56 -0.38 2.72 1.70 -1.26 -5.06 118.95 119.92 2kvc s ARG 97 Ca -0.04 -1.11 -0.22 0.00 -0.47 0.00 0.00 55.73 53.88 2kvc s ARG 97 Cb -0.06 -2.61 0.01 0.00 -0.57 0.00 0.00 34.95 31.72 2kvc s ARG 97 CO -0.04 -0.61 0.74 0.34 -1.08 0.00 0.00 175.30 174.65 2kvc s ASP 98 N -4.45 6.49 0.00 -2.89 2.15 -1.26 -4.76 116.67 111.96 2kvc s ASP 98 Ca 0.58 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.77 2kvc s ASP 98 Cb -0.09 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2kvc s ASP 98 CO 0.37 -0.72 0.70 -1.14 -0.17 0.00 0.00 175.17 174.20 2kvc n ARG 99 N 6.36 0.00 -2.36 4.34 3.00 -1.26 -5.06 116.66 121.67 2kvc n ARG 99 Ca 0.02 -0.42 -0.37 0.00 -0.00 0.00 0.00 57.85 57.08 2kvc n ARG 99 Cb 0.48 0.21 -0.03 0.00 0.00 0.00 0.00 32.46 33.12 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kvc s GLU 100 N 0.00 3.11 0.04 -0.14 8.01 -1.26 -4.88 118.70 123.58 2kvc s GLU 100 Ca 0.00 -0.46 -0.27 0.00 0.01 0.00 0.00 54.97 54.25 2kvc s GLU 100 Cb 0.00 -4.85 0.09 0.00 -4.31 0.00 0.00 34.13 25.06 2kvc s GLU 100 CO 0.00 -2.54 0.83 -1.83 0.01 0.00 0.00 175.26 171.74 2kvc s GLU 101 N 5.94 0.93 -1.57 1.61 -1.05 -1.26 -4.97 118.70 118.33 2kvc s GLU 101 Ca 0.52 -0.35 -0.00 0.00 -0.15 0.00 0.00 54.97 54.99 2kvc s GLU 101 Cb -0.05 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2kvc s GLU 101 CO 0.03 -0.41 0.01 0.72 0.95 0.00 0.00 175.26 176.56 2kvc n HIS 102 N -0.28 -0.89 0.90 4.83 8.25 -1.26 -5.31 115.22 121.46 2kvc n HIS 102 Ca -0.10 0.01 0.11 0.00 -0.26 0.00 0.00 57.72 57.47 2kvc n HIS 102 Cb 0.62 -3.64 0.09 0.00 1.12 0.00 0.00 29.99 28.19 2kvc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98